----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 11:22:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.718371430062470 -2.725951090000001 0.000000000000000 b 4.718371430062470 2.725951090000001 0.000000000000000 c -0.217484798414572 0.000000000000000 13.858095589326169 Atomic positions (fractional): *1 Sr 0.05855216673908 0.94144783326092 0.75000000000000 87.620 *2 Sr 0.34440005678098 0.30908671323831 0.91239371306524 87.620 3 Sr 0.65559994321902 0.69091328676169 0.08760628693476 87.620 4 Sr 0.94144783326091 0.05855216673908 0.25000000000000 87.620 5 Sr 0.30908671323831 0.34440005678098 0.41239371306524 87.620 6 Sr 0.69091328676169 0.65559994321902 0.58760628693476 87.620 *7 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 8 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 *9 Si 0.64641993944897 0.67277929929658 0.36482315764677 28.085 10 Si 0.35358006055103 0.32722070070342 0.63517684235323 28.085 11 Si 0.32722070070342 0.35358006055103 0.13517684235323 28.085 12 Si 0.67277929929658 0.64641993944897 0.86482315764677 28.085 *13 O 0.25041439377114 0.40482136648087 0.74561681825959 15.999 *14 O 0.15000158781437 0.21880161883990 0.08038780165651 15.999 15 O 0.59517863351913 0.74958560622886 0.75438318174041 15.999 16 O 0.21880161883989 0.15000158781437 0.58038780165651 15.999 *17 O 0.78077430811817 0.36864077122880 0.42379104182403 15.999 *18 O 0.30308037263983 0.84427054525595 0.38468052487052 15.999 19 O 0.74958560622886 0.59517863351913 0.25438318174041 15.999 20 O 0.63135922877119 0.21922569188183 0.07620895817596 15.999 21 O 0.78119838116011 0.84999841218563 0.41961219834349 15.999 22 O 0.69691962736016 0.15572945474405 0.61531947512948 15.999 23 O 0.36864077122881 0.78077430811817 0.92379104182404 15.999 24 O 0.21922569188183 0.63135922877119 0.57620895817596 15.999 25 O 0.84427054525595 0.30308037263984 0.88468052487052 15.999 26 O 0.15572945474405 0.69691962736016 0.11531947512948 15.999 27 O 0.84999841218563 0.78119838116011 0.91961219834349 15.999 28 O 0.40482136648087 0.25041439377114 0.24561681825959 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.436742860124941 0.000000000000000 0.000000000000000 b 0.000000000000000 5.451902180000001 0.000000000000000 c -0.217484798414572 0.000000000000000 13.858095589326169 Atomic positions (fractional): *1 Sr 0.50000000000000 0.44144783326092 0.75000000000000 87.620 > 1 *2 Sr 0.32674338500965 0.98234332822866 0.91239371306524 87.620 > 2 3 Sr 0.67325661499036 0.01765667177134 0.08760628693476 87.620 > 3 4 Sr 0.50000000000000 0.55855216673909 0.25000000000000 87.620 > 4 5 Sr 0.32674338500965 0.01765667177134 0.41239371306524 87.620 > 5 6 Sr 0.67325661499036 0.98234332822866 0.58760628693476 87.620 > 6 7 Sr 0.00000000000000 0.94144783326091 0.75000000000000 87.620 > 1 8 Sr 0.82674338500964 0.48234332822866 0.91239371306524 87.620 > 2 9 Sr 0.17325661499035 0.51765667177134 0.08760628693476 87.620 > 3 10 Sr 0.00000000000000 0.05855216673908 0.25000000000000 87.620 > 4 11 Sr 0.82674338500964 0.51765667177134 0.41239371306524 87.620 > 5 12 Sr 0.17325661499035 0.48234332822866 0.58760628693476 87.620 > 6 *13 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 7 14 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 8 15 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 > 7 16 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 8 *17 Si 0.65959961937278 0.01317967992380 0.36482315764677 28.085 > 9 18 Si 0.34040038062722 0.98682032007620 0.63517684235323 28.085 > 10 19 Si 0.34040038062722 0.01317967992380 0.13517684235323 28.085 > 11 20 Si 0.65959961937278 0.98682032007620 0.86482315764677 28.085 > 12 21 Si 0.15959961937278 0.51317967992380 0.36482315764677 28.085 > 9 22 Si 0.84040038062722 0.48682032007620 0.63517684235323 28.085 > 10 23 Si 0.84040038062722 0.51317967992380 0.13517684235323 28.085 > 11 24 Si 0.15959961937278 0.48682032007620 0.86482315764677 28.085 > 12 *25 O 0.32761788012600 0.07720348635487 0.74561681825959 15.999 > 13 *26 O 0.18440160332713 0.03440001551276 0.08038780165651 15.999 > 14 27 O 0.67238211987400 0.07720348635487 0.75438318174041 15.999 > 15 28 O 0.18440160332713 0.96559998448724 0.58038780165651 15.999 > 16 *29 O 0.57470753967349 0.79393323155532 0.42379104182403 15.999 > 17 *30 O 0.57367545894789 0.27059508630806 0.38468052487052 15.999 > 18 31 O 0.67238211987400 0.92279651364513 0.25438318174041 15.999 > 19 32 O 0.42529246032651 0.79393323155532 0.07620895817596 15.999 > 20 33 O 0.81559839667287 0.03440001551276 0.41961219834349 15.999 > 21 34 O 0.42632454105211 0.72940491369194 0.61531947512948 15.999 > 22 35 O 0.57470753967349 0.20606676844468 0.92379104182404 15.999 > 23 36 O 0.42529246032651 0.20606676844468 0.57620895817596 15.999 > 24 37 O 0.57367545894789 0.72940491369194 0.88468052487052 15.999 > 25 38 O 0.42632454105211 0.27059508630806 0.11531947512948 15.999 > 26 39 O 0.81559839667287 0.96559998448724 0.91961219834349 15.999 > 27 40 O 0.32761788012600 0.92279651364513 0.24561681825959 15.999 > 28 41 O 0.82761788012600 0.57720348635487 0.74561681825959 15.999 > 13 42 O 0.68440160332713 0.53440001551276 0.08038780165651 15.999 > 14 43 O 0.17238211987400 0.57720348635487 0.75438318174041 15.999 > 15 44 O 0.68440160332713 0.46559998448724 0.58038780165651 15.999 > 16 45 O 0.07470753967349 0.29393323155532 0.42379104182403 15.999 > 17 46 O 0.07367545894789 0.77059508630806 0.38468052487052 15.999 > 18 47 O 0.17238211987400 0.42279651364513 0.25438318174041 15.999 > 19 48 O 0.92529246032651 0.29393323155532 0.07620895817596 15.999 > 20 49 O 0.31559839667287 0.53440001551276 0.41961219834349 15.999 > 21 50 O 0.92632454105211 0.22940491369194 0.61531947512948 15.999 > 22 51 O 0.07470753967349 0.70606676844468 0.92379104182404 15.999 > 23 52 O 0.92529246032651 0.70606676844468 0.57620895817596 15.999 > 24 53 O 0.07367545894789 0.22940491369194 0.88468052487052 15.999 > 25 54 O 0.92632454105211 0.77059508630806 0.11531947512948 15.999 > 26 55 O 0.31559839667287 0.46559998448724 0.91961219834349 15.999 > 27 56 O 0.82761788012600 0.42279651364513 0.24561681825959 15.999 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.436742860124941 0.000000000000000 0.000000000000000 b 0.000000000000000 10.903804360000002 0.000000000000000 c -0.217484798414572 0.000000000000000 13.858095589326169 Atomic positions (fractional): *1 Sr 0.50000000000000 0.22072391663046 0.75000000000000 87.620 > 1 2 Sr 0.50000000000000 0.72072391663046 0.75000000000000 87.620 > 1 *3 Sr 0.32674338500965 0.49117166411433 0.91239371306524 87.620 > 2 4 Sr 0.32674338500965 0.99117166411433 0.91239371306524 87.620 > 2 5 Sr 0.67325661499036 0.00882833588567 0.08760628693476 87.620 > 3 6 Sr 0.67325661499036 0.50882833588567 0.08760628693476 87.620 > 3 7 Sr 0.50000000000000 0.27927608336954 0.25000000000000 87.620 > 4 8 Sr 0.50000000000000 0.77927608336954 0.25000000000000 87.620 > 4 9 Sr 0.32674338500965 0.00882833588567 0.41239371306524 87.620 > 5 10 Sr 0.32674338500965 0.50882833588567 0.41239371306524 87.620 > 5 11 Sr 0.67325661499036 0.49117166411433 0.58760628693476 87.620 > 6 12 Sr 0.67325661499036 0.99117166411433 0.58760628693476 87.620 > 6 13 Sr 0.00000000000000 0.47072391663046 0.75000000000000 87.620 > 1 14 Sr 0.00000000000000 0.97072391663046 0.75000000000000 87.620 > 1 15 Sr 0.82674338500964 0.24117166411433 0.91239371306524 87.620 > 2 16 Sr 0.82674338500964 0.74117166411433 0.91239371306524 87.620 > 2 17 Sr 0.17325661499035 0.25882833588567 0.08760628693476 87.620 > 3 18 Sr 0.17325661499035 0.75882833588567 0.08760628693476 87.620 > 3 19 Sr 0.00000000000000 0.02927608336954 0.25000000000000 87.620 > 4 20 Sr 0.00000000000000 0.52927608336954 0.25000000000000 87.620 > 4 21 Sr 0.82674338500964 0.25882833588567 0.41239371306524 87.620 > 5 22 Sr 0.82674338500964 0.75882833588567 0.41239371306524 87.620 > 5 23 Sr 0.17325661499035 0.24117166411433 0.58760628693476 87.620 > 6 24 Sr 0.17325661499035 0.74117166411433 0.58760628693476 87.620 > 6 *25 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 7 26 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 > 7 27 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 8 28 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 > 8 29 Mg 0.50000000000000 0.25000000000000 0.50000000000000 24.305 > 7 30 Mg 0.50000000000000 0.75000000000000 0.50000000000000 24.305 > 7 31 Mg 0.50000000000000 0.25000000000000 0.00000000000000 24.305 > 8 32 Mg 0.50000000000000 0.75000000000000 0.00000000000000 24.305 > 8 *33 Si 0.65959961937278 0.00658983996190 0.36482315764677 28.085 > 9 34 Si 0.65959961937278 0.50658983996190 0.36482315764677 28.085 > 9 35 Si 0.34040038062722 0.49341016003810 0.63517684235323 28.085 > 10 36 Si 0.34040038062722 0.99341016003810 0.63517684235323 28.085 > 10 37 Si 0.34040038062722 0.00658983996190 0.13517684235323 28.085 > 11 38 Si 0.34040038062722 0.50658983996190 0.13517684235323 28.085 > 11 39 Si 0.65959961937278 0.49341016003810 0.86482315764677 28.085 > 12 40 Si 0.65959961937278 0.99341016003810 0.86482315764677 28.085 > 12 41 Si 0.15959961937278 0.25658983996190 0.36482315764677 28.085 > 9 42 Si 0.15959961937278 0.75658983996190 0.36482315764677 28.085 > 9 43 Si 0.84040038062722 0.24341016003810 0.63517684235323 28.085 > 10 44 Si 0.84040038062722 0.74341016003810 0.63517684235323 28.085 > 10 45 Si 0.84040038062722 0.25658983996190 0.13517684235323 28.085 > 11 46 Si 0.84040038062722 0.75658983996190 0.13517684235323 28.085 > 11 47 Si 0.15959961937278 0.24341016003810 0.86482315764677 28.085 > 12 48 Si 0.15959961937278 0.74341016003810 0.86482315764677 28.085 > 12 *49 O 0.32761788012600 0.03860174317743 0.74561681825959 15.999 > 13 50 O 0.32761788012600 0.53860174317743 0.74561681825959 15.999 > 13 *51 O 0.18440160332713 0.01720000775638 0.08038780165651 15.999 > 14 52 O 0.18440160332713 0.51720000775638 0.08038780165651 15.999 > 14 53 O 0.67238211987400 0.03860174317743 0.75438318174041 15.999 > 15 54 O 0.67238211987400 0.53860174317743 0.75438318174041 15.999 > 15 55 O 0.18440160332713 0.48279999224362 0.58038780165651 15.999 > 16 56 O 0.18440160332713 0.98279999224362 0.58038780165651 15.999 > 16 *57 O 0.57470753967349 0.39696661577766 0.42379104182403 15.999 > 17 58 O 0.57470753967349 0.89696661577766 0.42379104182403 15.999 > 17 *59 O 0.57367545894789 0.13529754315403 0.38468052487052 15.999 > 18 60 O 0.57367545894789 0.63529754315403 0.38468052487052 15.999 > 18 61 O 0.67238211987400 0.46139825682257 0.25438318174041 15.999 > 19 62 O 0.67238211987400 0.96139825682257 0.25438318174041 15.999 > 19 63 O 0.42529246032651 0.39696661577766 0.07620895817596 15.999 > 20 64 O 0.42529246032651 0.89696661577766 0.07620895817596 15.999 > 20 65 O 0.81559839667287 0.01720000775638 0.41961219834349 15.999 > 21 66 O 0.81559839667287 0.51720000775638 0.41961219834349 15.999 > 21 67 O 0.42632454105211 0.36470245684597 0.61531947512948 15.999 > 22 68 O 0.42632454105211 0.86470245684597 0.61531947512948 15.999 > 22 69 O 0.57470753967349 0.10303338422234 0.92379104182404 15.999 > 23 70 O 0.57470753967349 0.60303338422234 0.92379104182404 15.999 > 23 71 O 0.42529246032651 0.10303338422234 0.57620895817596 15.999 > 24 72 O 0.42529246032651 0.60303338422234 0.57620895817596 15.999 > 24 73 O 0.57367545894789 0.36470245684597 0.88468052487052 15.999 > 25 74 O 0.57367545894789 0.86470245684597 0.88468052487052 15.999 > 25 75 O 0.42632454105211 0.13529754315403 0.11531947512948 15.999 > 26 76 O 0.42632454105211 0.63529754315403 0.11531947512948 15.999 > 26 77 O 0.81559839667287 0.48279999224362 0.91961219834349 15.999 > 27 78 O 0.81559839667287 0.98279999224362 0.91961219834349 15.999 > 27 79 O 0.32761788012600 0.46139825682257 0.24561681825959 15.999 > 28 80 O 0.32761788012600 0.96139825682257 0.24561681825959 15.999 > 28 81 O 0.82761788012600 0.28860174317743 0.74561681825959 15.999 > 13 82 O 0.82761788012600 0.78860174317743 0.74561681825959 15.999 > 13 83 O 0.68440160332713 0.26720000775638 0.08038780165651 15.999 > 14 84 O 0.68440160332713 0.76720000775638 0.08038780165651 15.999 > 14 85 O 0.17238211987400 0.28860174317743 0.75438318174041 15.999 > 15 86 O 0.17238211987400 0.78860174317743 0.75438318174041 15.999 > 15 87 O 0.68440160332713 0.23279999224362 0.58038780165651 15.999 > 16 88 O 0.68440160332713 0.73279999224362 0.58038780165651 15.999 > 16 89 O 0.07470753967349 0.14696661577766 0.42379104182403 15.999 > 17 90 O 0.07470753967349 0.64696661577766 0.42379104182403 15.999 > 17 91 O 0.07367545894789 0.38529754315403 0.38468052487052 15.999 > 18 92 O 0.07367545894789 0.88529754315403 0.38468052487052 15.999 > 18 93 O 0.17238211987400 0.21139825682257 0.25438318174041 15.999 > 19 94 O 0.17238211987400 0.71139825682257 0.25438318174041 15.999 > 19 95 O 0.92529246032651 0.14696661577766 0.07620895817596 15.999 > 20 96 O 0.92529246032651 0.64696661577766 0.07620895817596 15.999 > 20 97 O 0.31559839667287 0.26720000775638 0.41961219834349 15.999 > 21 98 O 0.31559839667287 0.76720000775638 0.41961219834349 15.999 > 21 99 O 0.92632454105211 0.11470245684597 0.61531947512948 15.999 > 22 100 O 0.92632454105211 0.61470245684597 0.61531947512948 15.999 > 22 101 O 0.07470753967349 0.35303338422234 0.92379104182404 15.999 > 23 102 O 0.07470753967349 0.85303338422234 0.92379104182404 15.999 > 23 103 O 0.92529246032651 0.35303338422234 0.57620895817596 15.999 > 24 104 O 0.92529246032651 0.85303338422234 0.57620895817596 15.999 > 24 105 O 0.07367545894789 0.11470245684597 0.88468052487052 15.999 > 25 106 O 0.07367545894789 0.61470245684597 0.88468052487052 15.999 > 25 107 O 0.92632454105211 0.38529754315403 0.11531947512948 15.999 > 26 108 O 0.92632454105211 0.88529754315403 0.11531947512948 15.999 > 26 109 O 0.31559839667287 0.23279999224362 0.91961219834349 15.999 > 27 110 O 0.31559839667287 0.73279999224362 0.91961219834349 15.999 > 27 111 O 0.82761788012600 0.21139825682257 0.24561681825959 15.999 > 28 112 O 0.82761788012600 0.71139825682257 0.24561681825959 15.999 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2426687 0.0000000 0.0130758 0.0000000 3.2719175 0.0000000 0.0130767 0.0000000 3.3451805 -------------------------- Born effective charges -------------------------- 1 Sr 2.4984247 0.0000000 0.0980544 -0.0000000 2.6364268 0.0000000 0.0727577 0.0000000 2.5067246 2 Sr 2.4576065 0.0021737 -0.0028457 0.0005148 2.4734968 -0.0785402 -0.0053710 -0.1578159 2.6980742 3 Sr 2.4576065 0.0021737 -0.0028457 0.0005148 2.4734968 -0.0785402 -0.0053710 -0.1578159 2.6980742 4 Sr 2.4984247 0.0000000 0.0980544 -0.0000000 2.6364268 0.0000000 0.0727577 0.0000000 2.5067246 5 Sr 2.4576065 -0.0021737 -0.0028457 -0.0005148 2.4734968 0.0785402 -0.0053710 0.1578159 2.6980742 6 Sr 2.4576065 -0.0021737 -0.0028457 -0.0005148 2.4734968 0.0785402 -0.0053710 0.1578159 2.6980742 7 Mg 2.2484857 0.0016820 0.0074003 0.0072737 2.2339967 0.0050988 0.0318572 -0.0784267 2.1880792 8 Mg 2.2484857 -0.0016820 0.0074003 -0.0072737 2.2339967 -0.0050988 0.0318572 0.0784267 2.1880792 9 Si 2.7140318 0.0799515 0.0038453 0.0615325 2.8163604 0.1164699 0.0036532 0.0950778 2.9896699 10 Si 2.7140318 0.0799515 0.0038453 0.0615325 2.8163604 0.1164699 0.0036532 0.0950778 2.9896699 11 Si 2.7140318 -0.0799515 0.0038453 -0.0615325 2.8163604 -0.1164699 0.0036532 -0.0950778 2.9896699 12 Si 2.7140318 -0.0799515 0.0038453 -0.0615325 2.8163604 -0.1164699 0.0036532 -0.0950778 2.9896699 13 O -1.5184466 -0.1417598 0.0763093 -0.1578360 -1.6090215 -0.1901173 0.0498244 -0.1316969 -2.6123108 14 O -2.2344958 0.0848866 -0.3188563 0.0576149 -1.7743828 -0.0066141 -0.3100016 -0.0038538 -1.8337894 15 O -1.5184466 0.1417598 0.0763093 0.1578360 -1.6090215 0.1901173 0.0498244 0.1316969 -2.6123108 16 O -2.2344958 -0.0848866 -0.3188563 -0.0576149 -1.7743828 0.0066141 -0.3100016 0.0038538 -1.8337894 17 O -1.9121451 -0.2148797 0.1327333 -0.2360906 -2.0665140 0.2348029 0.1509856 0.2464227 -1.9547373 18 O -1.8800060 0.2725249 0.0560866 0.2747712 -2.2751507 -0.0503355 0.0586019 -0.0411742 -1.6343085 19 O -1.5184466 -0.1417598 0.0763093 -0.1578360 -1.6090215 -0.1901173 0.0498244 -0.1316969 -2.6123108 20 O -1.9121451 0.2148797 0.1327333 0.2360906 -2.0665140 -0.2348029 0.1509856 -0.2464227 -1.9547373 21 O -2.2344958 -0.0848866 -0.3188563 -0.0576149 -1.7743828 0.0066141 -0.3100016 0.0038538 -1.8337894 22 O -1.8800060 0.2725249 0.0560866 0.2747712 -2.2751507 -0.0503355 0.0586019 -0.0411742 -1.6343085 23 O -1.9121451 0.2148797 0.1327333 0.2360906 -2.0665140 -0.2348029 0.1509856 -0.2464227 -1.9547373 24 O -1.9121451 -0.2148797 0.1327333 -0.2360906 -2.0665140 0.2348029 0.1509856 0.2464227 -1.9547373 25 O -1.8800060 -0.2725249 0.0560866 -0.2747712 -2.2751507 0.0503355 0.0586019 0.0411742 -1.6343085 26 O -1.8800060 -0.2725249 0.0560866 -0.2747712 -2.2751507 0.0503355 0.0586019 0.0411742 -1.6343085 27 O -2.2344958 0.0848866 -0.3188563 0.0576149 -1.7743828 -0.0066141 -0.3100016 -0.0038538 -1.8337894 28 O -1.5184466 0.1417598 0.0763093 0.1578360 -1.6090215 0.1901173 0.0498244 0.1316969 -2.6123108 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 17004/17004 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3665 Number of blocks in projector: 3665 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: 790 Use submatrix version of eigh solver. (1) Block: 500 / 790 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 790 / 790 (1) 281 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 782 Use submatrix version of eigh solver. (1) Block: 500 / 782 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 782 / 782 (1) 268 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 782 Use submatrix version of eigh solver. (1) Block: 500 / 782 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 782 / 782 (1) 268 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 437 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 437 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 437 Use standard eigh solver. Tree of FC basis block matrices: - (3665, 3598), data: False |-- (437, 429), data: True |-- (437, 429), data: True |-- (437, 429), data: True |-- (782, 768), data: False |-- (782, 14), data: (782, 28) @ (28, 14) |-- (282, 268), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (782, 768), data: False |-- (782, 14), data: (782, 28) @ (28, 14) |-- (282, 268), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (790, 775), data: False |-- (790, 9), data: (790, 24) @ (24, 9) |-- (290, 281), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 880 - Time: 1.010 Solver_block: 200 / 880 - Time: 0.943 Solver_block: 300 / 880 - Time: 0.964 Solver_block: 400 / 880 - Time: 0.964 Solver_block: 500 / 880 - Time: 0.962 Solver_block: 600 / 880 - Time: 0.960 Solver_block: 700 / 880 - Time: 0.952 Solver_block: 800 / 880 - Time: 0.975 Solver_block: 880 / 880 - Time: 0.799 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 8.703 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 336/336 Permutation basis: 17004/17004 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3665 Number of blocks in projector: 3665 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: 790 Use submatrix version of eigh solver. (1) Block: 500 / 790 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 790 / 790 (1) 281 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 782 Use submatrix version of eigh solver. (1) Block: 500 / 782 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 782 / 782 (1) 268 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 782 Use submatrix version of eigh solver. (1) Block: 500 / 782 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 782 / 782 (1) 268 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 437 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 437 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 437 Use standard eigh solver. Tree of FC basis block matrices: - (3665, 3598), data: False |-- (437, 429), data: True |-- (437, 429), data: True |-- (437, 429), data: True |-- (782, 768), data: False |-- (782, 14), data: (782, 28) @ (28, 14) |-- (282, 268), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (782, 768), data: False |-- (782, 14), data: (782, 28) @ (28, 14) |-- (282, 268), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (790, 775), data: False |-- (790, 9), data: (790, 24) @ (24, 9) |-- (290, 281), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 11:23:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:23:06]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.718371430062470 -2.725951090000001 0.000000000000000 b 4.718371430062470 2.725951090000001 0.000000000000000 c -0.217484798414572 0.000000000000000 13.858095589326169 Atomic positions (fractional): 1 Sr 0.05855216673908 0.94144783326092 0.75000000000000 87.620 2 Sr 0.34440005678098 0.30908671323831 0.91239371306524 87.620 3 Sr 0.65559994321902 0.69091328676169 0.08760628693476 87.620 4 Sr 0.94144783326091 0.05855216673908 0.25000000000000 87.620 5 Sr 0.30908671323831 0.34440005678098 0.41239371306524 87.620 6 Sr 0.69091328676169 0.65559994321902 0.58760628693476 87.620 7 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 8 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 9 Si 0.64641993944897 0.67277929929658 0.36482315764677 28.085 10 Si 0.35358006055103 0.32722070070342 0.63517684235323 28.085 11 Si 0.32722070070342 0.35358006055103 0.13517684235323 28.085 12 Si 0.67277929929658 0.64641993944897 0.86482315764677 28.085 13 O 0.25041439377114 0.40482136648087 0.74561681825959 15.999 14 O 0.15000158781437 0.21880161883990 0.08038780165651 15.999 15 O 0.59517863351913 0.74958560622886 0.75438318174041 15.999 16 O 0.21880161883989 0.15000158781437 0.58038780165651 15.999 17 O 0.78077430811817 0.36864077122880 0.42379104182403 15.999 18 O 0.30308037263983 0.84427054525595 0.38468052487052 15.999 19 O 0.74958560622886 0.59517863351913 0.25438318174041 15.999 20 O 0.63135922877119 0.21922569188183 0.07620895817596 15.999 21 O 0.78119838116011 0.84999841218563 0.41961219834349 15.999 22 O 0.69691962736016 0.15572945474405 0.61531947512948 15.999 23 O 0.36864077122881 0.78077430811817 0.92379104182404 15.999 24 O 0.21922569188183 0.63135922877119 0.57620895817596 15.999 25 O 0.84427054525595 0.30308037263984 0.88468052487052 15.999 26 O 0.15572945474405 0.69691962736016 0.11531947512948 15.999 27 O 0.84999841218563 0.78119838116011 0.91961219834349 15.999 28 O 0.40482136648087 0.25041439377114 0.24561681825959 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.436742860124941 0.000000000000000 0.000000000000000 b 0.000000000000000 10.903804360000002 0.000000000000000 c -0.217484798414572 0.000000000000000 13.858095589326169 Atomic positions (fractional): 1 Sr 0.50000000000000 0.22072391663046 0.75000000000000 87.620 > 1 2 Sr 0.50000000000000 0.72072391663046 0.75000000000000 87.620 > 1 3 Sr 0.32674338500965 0.49117166411433 0.91239371306524 87.620 > 3 4 Sr 0.32674338500965 0.99117166411433 0.91239371306524 87.620 > 3 5 Sr 0.67325661499036 0.00882833588567 0.08760628693476 87.620 > 5 6 Sr 0.67325661499036 0.50882833588567 0.08760628693476 87.620 > 5 7 Sr 0.50000000000000 0.27927608336954 0.25000000000000 87.620 > 7 8 Sr 0.50000000000000 0.77927608336954 0.25000000000000 87.620 > 7 9 Sr 0.32674338500965 0.00882833588567 0.41239371306524 87.620 > 9 10 Sr 0.32674338500965 0.50882833588567 0.41239371306524 87.620 > 9 11 Sr 0.67325661499036 0.49117166411433 0.58760628693476 87.620 > 11 12 Sr 0.67325661499036 0.99117166411433 0.58760628693476 87.620 > 11 13 Sr 0.00000000000000 0.47072391663046 0.75000000000000 87.620 > 1 14 Sr 0.00000000000000 0.97072391663046 0.75000000000000 87.620 > 1 15 Sr 0.82674338500964 0.24117166411433 0.91239371306524 87.620 > 3 16 Sr 0.82674338500964 0.74117166411433 0.91239371306524 87.620 > 3 17 Sr 0.17325661499035 0.25882833588567 0.08760628693476 87.620 > 5 18 Sr 0.17325661499035 0.75882833588567 0.08760628693476 87.620 > 5 19 Sr 0.00000000000000 0.02927608336954 0.25000000000000 87.620 > 7 20 Sr 0.00000000000000 0.52927608336954 0.25000000000000 87.620 > 7 21 Sr 0.82674338500964 0.25882833588567 0.41239371306524 87.620 > 9 22 Sr 0.82674338500964 0.75882833588567 0.41239371306524 87.620 > 9 23 Sr 0.17325661499035 0.24117166411433 0.58760628693476 87.620 > 11 24 Sr 0.17325661499035 0.74117166411433 0.58760628693476 87.620 > 11 25 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 25 26 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 > 25 27 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 27 28 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 > 27 29 Mg 0.50000000000000 0.25000000000000 0.50000000000000 24.305 > 25 30 Mg 0.50000000000000 0.75000000000000 0.50000000000000 24.305 > 25 31 Mg 0.50000000000000 0.25000000000000 0.00000000000000 24.305 > 27 32 Mg 0.50000000000000 0.75000000000000 0.00000000000000 24.305 > 27 33 Si 0.65959961937278 0.00658983996190 0.36482315764677 28.085 > 33 34 Si 0.65959961937278 0.50658983996190 0.36482315764677 28.085 > 33 35 Si 0.34040038062722 0.49341016003810 0.63517684235323 28.085 > 35 36 Si 0.34040038062722 0.99341016003810 0.63517684235323 28.085 > 35 37 Si 0.34040038062722 0.00658983996190 0.13517684235323 28.085 > 37 38 Si 0.34040038062722 0.50658983996190 0.13517684235323 28.085 > 37 39 Si 0.65959961937278 0.49341016003810 0.86482315764677 28.085 > 39 40 Si 0.65959961937278 0.99341016003810 0.86482315764677 28.085 > 39 41 Si 0.15959961937278 0.25658983996190 0.36482315764677 28.085 > 33 42 Si 0.15959961937278 0.75658983996190 0.36482315764677 28.085 > 33 43 Si 0.84040038062722 0.24341016003810 0.63517684235323 28.085 > 35 44 Si 0.84040038062722 0.74341016003810 0.63517684235323 28.085 > 35 45 Si 0.84040038062722 0.25658983996190 0.13517684235323 28.085 > 37 46 Si 0.84040038062722 0.75658983996190 0.13517684235323 28.085 > 37 47 Si 0.15959961937278 0.24341016003810 0.86482315764677 28.085 > 39 48 Si 0.15959961937278 0.74341016003810 0.86482315764677 28.085 > 39 49 O 0.32761788012600 0.03860174317743 0.74561681825959 15.999 > 49 50 O 0.32761788012600 0.53860174317743 0.74561681825959 15.999 > 49 51 O 0.18440160332713 0.01720000775638 0.08038780165651 15.999 > 51 52 O 0.18440160332713 0.51720000775638 0.08038780165651 15.999 > 51 53 O 0.67238211987400 0.03860174317743 0.75438318174041 15.999 > 53 54 O 0.67238211987400 0.53860174317743 0.75438318174041 15.999 > 53 55 O 0.18440160332713 0.48279999224362 0.58038780165651 15.999 > 55 56 O 0.18440160332713 0.98279999224362 0.58038780165651 15.999 > 55 57 O 0.57470753967349 0.39696661577766 0.42379104182403 15.999 > 57 58 O 0.57470753967349 0.89696661577766 0.42379104182403 15.999 > 57 59 O 0.57367545894789 0.13529754315403 0.38468052487052 15.999 > 59 60 O 0.57367545894789 0.63529754315403 0.38468052487052 15.999 > 59 61 O 0.67238211987400 0.46139825682257 0.25438318174041 15.999 > 61 62 O 0.67238211987400 0.96139825682257 0.25438318174041 15.999 > 61 63 O 0.42529246032651 0.39696661577766 0.07620895817596 15.999 > 63 64 O 0.42529246032651 0.89696661577766 0.07620895817596 15.999 > 63 65 O 0.81559839667287 0.01720000775638 0.41961219834349 15.999 > 65 66 O 0.81559839667287 0.51720000775638 0.41961219834349 15.999 > 65 67 O 0.42632454105211 0.36470245684597 0.61531947512948 15.999 > 67 68 O 0.42632454105211 0.86470245684597 0.61531947512948 15.999 > 67 69 O 0.57470753967349 0.10303338422234 0.92379104182404 15.999 > 69 70 O 0.57470753967349 0.60303338422234 0.92379104182404 15.999 > 69 71 O 0.42529246032651 0.10303338422234 0.57620895817596 15.999 > 71 72 O 0.42529246032651 0.60303338422234 0.57620895817596 15.999 > 71 73 O 0.57367545894789 0.36470245684597 0.88468052487052 15.999 > 73 74 O 0.57367545894789 0.86470245684597 0.88468052487052 15.999 > 73 75 O 0.42632454105211 0.13529754315403 0.11531947512948 15.999 > 75 76 O 0.42632454105211 0.63529754315403 0.11531947512948 15.999 > 75 77 O 0.81559839667287 0.48279999224362 0.91961219834349 15.999 > 77 78 O 0.81559839667287 0.98279999224362 0.91961219834349 15.999 > 77 79 O 0.32761788012600 0.46139825682257 0.24561681825959 15.999 > 79 80 O 0.32761788012600 0.96139825682257 0.24561681825959 15.999 > 79 81 O 0.82761788012600 0.28860174317743 0.74561681825959 15.999 > 49 82 O 0.82761788012600 0.78860174317743 0.74561681825959 15.999 > 49 83 O 0.68440160332713 0.26720000775638 0.08038780165651 15.999 > 51 84 O 0.68440160332713 0.76720000775638 0.08038780165651 15.999 > 51 85 O 0.17238211987400 0.28860174317743 0.75438318174041 15.999 > 53 86 O 0.17238211987400 0.78860174317743 0.75438318174041 15.999 > 53 87 O 0.68440160332713 0.23279999224362 0.58038780165651 15.999 > 55 88 O 0.68440160332713 0.73279999224362 0.58038780165651 15.999 > 55 89 O 0.07470753967349 0.14696661577766 0.42379104182403 15.999 > 57 90 O 0.07470753967349 0.64696661577766 0.42379104182403 15.999 > 57 91 O 0.07367545894789 0.38529754315403 0.38468052487052 15.999 > 59 92 O 0.07367545894789 0.88529754315403 0.38468052487052 15.999 > 59 93 O 0.17238211987400 0.21139825682257 0.25438318174041 15.999 > 61 94 O 0.17238211987400 0.71139825682257 0.25438318174041 15.999 > 61 95 O 0.92529246032651 0.14696661577766 0.07620895817596 15.999 > 63 96 O 0.92529246032651 0.64696661577766 0.07620895817596 15.999 > 63 97 O 0.31559839667287 0.26720000775638 0.41961219834349 15.999 > 65 98 O 0.31559839667287 0.76720000775638 0.41961219834349 15.999 > 65 99 O 0.92632454105211 0.11470245684597 0.61531947512948 15.999 > 67 100 O 0.92632454105211 0.61470245684597 0.61531947512948 15.999 > 67 101 O 0.07470753967349 0.35303338422234 0.92379104182404 15.999 > 69 102 O 0.07470753967349 0.85303338422234 0.92379104182404 15.999 > 69 103 O 0.92529246032651 0.35303338422234 0.57620895817596 15.999 > 71 104 O 0.92529246032651 0.85303338422234 0.57620895817596 15.999 > 71 105 O 0.07367545894789 0.11470245684597 0.88468052487052 15.999 > 73 106 O 0.07367545894789 0.61470245684597 0.88468052487052 15.999 > 73 107 O 0.92632454105211 0.38529754315403 0.11531947512948 15.999 > 75 108 O 0.92632454105211 0.88529754315403 0.11531947512948 15.999 > 75 109 O 0.31559839667287 0.23279999224362 0.91961219834349 15.999 > 77 110 O 0.31559839667287 0.73279999224362 0.91961219834349 15.999 > 77 111 O 0.82761788012600 0.21139825682257 0.24561681825959 15.999 > 79 112 O 0.82761788012600 0.71139825682257 0.24561681825959 15.999 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2426687 0.0000000 0.0130758 0.0000000 3.2719175 0.0000000 0.0130767 0.0000000 3.3451805 -------------------------- Born effective charges -------------------------- 1 Sr 2.4984247 0.0000000 0.0980544 -0.0000000 2.6364268 0.0000000 0.0727577 0.0000000 2.5067246 2 Sr 2.4576065 0.0021737 -0.0028457 0.0005148 2.4734968 -0.0785402 -0.0053710 -0.1578159 2.6980742 3 Sr 2.4576065 0.0021737 -0.0028457 0.0005148 2.4734968 -0.0785402 -0.0053710 -0.1578159 2.6980742 4 Sr 2.4984247 0.0000000 0.0980544 -0.0000000 2.6364268 0.0000000 0.0727577 0.0000000 2.5067246 5 Sr 2.4576065 -0.0021737 -0.0028457 -0.0005148 2.4734968 0.0785402 -0.0053710 0.1578159 2.6980742 6 Sr 2.4576065 -0.0021737 -0.0028457 -0.0005148 2.4734968 0.0785402 -0.0053710 0.1578159 2.6980742 7 Mg 2.2484857 0.0016820 0.0074003 0.0072737 2.2339967 0.0050988 0.0318572 -0.0784267 2.1880792 8 Mg 2.2484857 -0.0016820 0.0074003 -0.0072737 2.2339967 -0.0050988 0.0318572 0.0784267 2.1880792 9 Si 2.7140318 0.0799515 0.0038453 0.0615325 2.8163604 0.1164699 0.0036532 0.0950778 2.9896699 10 Si 2.7140318 0.0799515 0.0038453 0.0615325 2.8163604 0.1164699 0.0036532 0.0950778 2.9896699 11 Si 2.7140318 -0.0799515 0.0038453 -0.0615325 2.8163604 -0.1164699 0.0036532 -0.0950778 2.9896699 12 Si 2.7140318 -0.0799515 0.0038453 -0.0615325 2.8163604 -0.1164699 0.0036532 -0.0950778 2.9896699 13 O -1.5184466 -0.1417598 0.0763093 -0.1578360 -1.6090215 -0.1901173 0.0498244 -0.1316969 -2.6123108 14 O -2.2344958 0.0848866 -0.3188563 0.0576149 -1.7743828 -0.0066141 -0.3100016 -0.0038538 -1.8337894 15 O -1.5184466 0.1417598 0.0763093 0.1578360 -1.6090215 0.1901173 0.0498244 0.1316969 -2.6123108 16 O -2.2344958 -0.0848866 -0.3188563 -0.0576149 -1.7743828 0.0066141 -0.3100016 0.0038538 -1.8337894 17 O -1.9121451 -0.2148797 0.1327333 -0.2360906 -2.0665140 0.2348029 0.1509856 0.2464227 -1.9547373 18 O -1.8800060 0.2725249 0.0560866 0.2747712 -2.2751507 -0.0503355 0.0586019 -0.0411742 -1.6343085 19 O -1.5184466 -0.1417598 0.0763093 -0.1578360 -1.6090215 -0.1901173 0.0498244 -0.1316969 -2.6123108 20 O -1.9121451 0.2148797 0.1327333 0.2360906 -2.0665140 -0.2348029 0.1509856 -0.2464227 -1.9547373 21 O -2.2344958 -0.0848866 -0.3188563 -0.0576149 -1.7743828 0.0066141 -0.3100016 0.0038538 -1.8337894 22 O -1.8800060 0.2725249 0.0560866 0.2747712 -2.2751507 -0.0503355 0.0586019 -0.0411742 -1.6343085 23 O -1.9121451 0.2148797 0.1327333 0.2360906 -2.0665140 -0.2348029 0.1509856 -0.2464227 -1.9547373 24 O -1.9121451 -0.2148797 0.1327333 -0.2360906 -2.0665140 0.2348029 0.1509856 0.2464227 -1.9547373 25 O -1.8800060 -0.2725249 0.0560866 -0.2747712 -2.2751507 0.0503355 0.0586019 0.0411742 -1.6343085 26 O -1.8800060 -0.2725249 0.0560866 -0.2747712 -2.2751507 0.0503355 0.0586019 0.0411742 -1.6343085 27 O -2.2344958 0.0848866 -0.3188563 0.0576149 -1.7743828 -0.0066141 -0.3100016 -0.0038538 -1.8337894 28 O -1.5184466 0.1417598 0.0763093 0.1578360 -1.6090215 0.1901173 0.0498244 0.1316969 -2.6123108 ---------------------------------------------------------------------------- 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 51, 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 57, 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 59, 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (zy) -0.00000001 (zy) 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 11:23:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:23:42]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.718371430062470 -2.725951090000001 0.000000000000000 b 4.718371430062470 2.725951090000001 0.000000000000000 c -0.217484798414572 0.000000000000000 13.858095589326169 Atomic positions (fractional): 1 Sr 0.05855216673908 0.94144783326092 0.75000000000000 87.620 2 Sr 0.34440005678098 0.30908671323831 0.91239371306524 87.620 3 Sr 0.65559994321902 0.69091328676169 0.08760628693476 87.620 4 Sr 0.94144783326091 0.05855216673908 0.25000000000000 87.620 5 Sr 0.30908671323831 0.34440005678098 0.41239371306524 87.620 6 Sr 0.69091328676169 0.65559994321902 0.58760628693476 87.620 7 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 8 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 9 Si 0.64641993944897 0.67277929929658 0.36482315764677 28.085 10 Si 0.35358006055103 0.32722070070342 0.63517684235323 28.085 11 Si 0.32722070070342 0.35358006055103 0.13517684235323 28.085 12 Si 0.67277929929658 0.64641993944897 0.86482315764677 28.085 13 O 0.25041439377114 0.40482136648087 0.74561681825959 15.999 14 O 0.15000158781437 0.21880161883990 0.08038780165651 15.999 15 O 0.59517863351913 0.74958560622886 0.75438318174041 15.999 16 O 0.21880161883989 0.15000158781437 0.58038780165651 15.999 17 O 0.78077430811817 0.36864077122880 0.42379104182403 15.999 18 O 0.30308037263983 0.84427054525595 0.38468052487052 15.999 19 O 0.74958560622886 0.59517863351913 0.25438318174041 15.999 20 O 0.63135922877119 0.21922569188183 0.07620895817596 15.999 21 O 0.78119838116011 0.84999841218563 0.41961219834349 15.999 22 O 0.69691962736016 0.15572945474405 0.61531947512948 15.999 23 O 0.36864077122881 0.78077430811817 0.92379104182404 15.999 24 O 0.21922569188183 0.63135922877119 0.57620895817596 15.999 25 O 0.84427054525595 0.30308037263984 0.88468052487052 15.999 26 O 0.15572945474405 0.69691962736016 0.11531947512948 15.999 27 O 0.84999841218563 0.78119838116011 0.91961219834349 15.999 28 O 0.40482136648087 0.25041439377114 0.24561681825959 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.436742860124941 0.000000000000000 0.000000000000000 b 0.000000000000000 10.903804360000002 0.000000000000000 c -0.217484798414572 0.000000000000000 13.858095589326169 Atomic positions (fractional): 1 Sr 0.50000000000000 0.22072391663046 0.75000000000000 87.620 > 1 2 Sr 0.50000000000000 0.72072391663046 0.75000000000000 87.620 > 1 3 Sr 0.32674338500965 0.49117166411433 0.91239371306524 87.620 > 3 4 Sr 0.32674338500965 0.99117166411433 0.91239371306524 87.620 > 3 5 Sr 0.67325661499036 0.00882833588567 0.08760628693476 87.620 > 5 6 Sr 0.67325661499036 0.50882833588567 0.08760628693476 87.620 > 5 7 Sr 0.50000000000000 0.27927608336954 0.25000000000000 87.620 > 7 8 Sr 0.50000000000000 0.77927608336954 0.25000000000000 87.620 > 7 9 Sr 0.32674338500965 0.00882833588567 0.41239371306524 87.620 > 9 10 Sr 0.32674338500965 0.50882833588567 0.41239371306524 87.620 > 9 11 Sr 0.67325661499036 0.49117166411433 0.58760628693476 87.620 > 11 12 Sr 0.67325661499036 0.99117166411433 0.58760628693476 87.620 > 11 13 Sr 0.00000000000000 0.47072391663046 0.75000000000000 87.620 > 1 14 Sr 0.00000000000000 0.97072391663046 0.75000000000000 87.620 > 1 15 Sr 0.82674338500964 0.24117166411433 0.91239371306524 87.620 > 3 16 Sr 0.82674338500964 0.74117166411433 0.91239371306524 87.620 > 3 17 Sr 0.17325661499035 0.25882833588567 0.08760628693476 87.620 > 5 18 Sr 0.17325661499035 0.75882833588567 0.08760628693476 87.620 > 5 19 Sr 0.00000000000000 0.02927608336954 0.25000000000000 87.620 > 7 20 Sr 0.00000000000000 0.52927608336954 0.25000000000000 87.620 > 7 21 Sr 0.82674338500964 0.25882833588567 0.41239371306524 87.620 > 9 22 Sr 0.82674338500964 0.75882833588567 0.41239371306524 87.620 > 9 23 Sr 0.17325661499035 0.24117166411433 0.58760628693476 87.620 > 11 24 Sr 0.17325661499035 0.74117166411433 0.58760628693476 87.620 > 11 25 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 25 26 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 > 25 27 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 27 28 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 > 27 29 Mg 0.50000000000000 0.25000000000000 0.50000000000000 24.305 > 25 30 Mg 0.50000000000000 0.75000000000000 0.50000000000000 24.305 > 25 31 Mg 0.50000000000000 0.25000000000000 0.00000000000000 24.305 > 27 32 Mg 0.50000000000000 0.75000000000000 0.00000000000000 24.305 > 27 33 Si 0.65959961937278 0.00658983996190 0.36482315764677 28.085 > 33 34 Si 0.65959961937278 0.50658983996190 0.36482315764677 28.085 > 33 35 Si 0.34040038062722 0.49341016003810 0.63517684235323 28.085 > 35 36 Si 0.34040038062722 0.99341016003810 0.63517684235323 28.085 > 35 37 Si 0.34040038062722 0.00658983996190 0.13517684235323 28.085 > 37 38 Si 0.34040038062722 0.50658983996190 0.13517684235323 28.085 > 37 39 Si 0.65959961937278 0.49341016003810 0.86482315764677 28.085 > 39 40 Si 0.65959961937278 0.99341016003810 0.86482315764677 28.085 > 39 41 Si 0.15959961937278 0.25658983996190 0.36482315764677 28.085 > 33 42 Si 0.15959961937278 0.75658983996190 0.36482315764677 28.085 > 33 43 Si 0.84040038062722 0.24341016003810 0.63517684235323 28.085 > 35 44 Si 0.84040038062722 0.74341016003810 0.63517684235323 28.085 > 35 45 Si 0.84040038062722 0.25658983996190 0.13517684235323 28.085 > 37 46 Si 0.84040038062722 0.75658983996190 0.13517684235323 28.085 > 37 47 Si 0.15959961937278 0.24341016003810 0.86482315764677 28.085 > 39 48 Si 0.15959961937278 0.74341016003810 0.86482315764677 28.085 > 39 49 O 0.32761788012600 0.03860174317743 0.74561681825959 15.999 > 49 50 O 0.32761788012600 0.53860174317743 0.74561681825959 15.999 > 49 51 O 0.18440160332713 0.01720000775638 0.08038780165651 15.999 > 51 52 O 0.18440160332713 0.51720000775638 0.08038780165651 15.999 > 51 53 O 0.67238211987400 0.03860174317743 0.75438318174041 15.999 > 53 54 O 0.67238211987400 0.53860174317743 0.75438318174041 15.999 > 53 55 O 0.18440160332713 0.48279999224362 0.58038780165651 15.999 > 55 56 O 0.18440160332713 0.98279999224362 0.58038780165651 15.999 > 55 57 O 0.57470753967349 0.39696661577766 0.42379104182403 15.999 > 57 58 O 0.57470753967349 0.89696661577766 0.42379104182403 15.999 > 57 59 O 0.57367545894789 0.13529754315403 0.38468052487052 15.999 > 59 60 O 0.57367545894789 0.63529754315403 0.38468052487052 15.999 > 59 61 O 0.67238211987400 0.46139825682257 0.25438318174041 15.999 > 61 62 O 0.67238211987400 0.96139825682257 0.25438318174041 15.999 > 61 63 O 0.42529246032651 0.39696661577766 0.07620895817596 15.999 > 63 64 O 0.42529246032651 0.89696661577766 0.07620895817596 15.999 > 63 65 O 0.81559839667287 0.01720000775638 0.41961219834349 15.999 > 65 66 O 0.81559839667287 0.51720000775638 0.41961219834349 15.999 > 65 67 O 0.42632454105211 0.36470245684597 0.61531947512948 15.999 > 67 68 O 0.42632454105211 0.86470245684597 0.61531947512948 15.999 > 67 69 O 0.57470753967349 0.10303338422234 0.92379104182404 15.999 > 69 70 O 0.57470753967349 0.60303338422234 0.92379104182404 15.999 > 69 71 O 0.42529246032651 0.10303338422234 0.57620895817596 15.999 > 71 72 O 0.42529246032651 0.60303338422234 0.57620895817596 15.999 > 71 73 O 0.57367545894789 0.36470245684597 0.88468052487052 15.999 > 73 74 O 0.57367545894789 0.86470245684597 0.88468052487052 15.999 > 73 75 O 0.42632454105211 0.13529754315403 0.11531947512948 15.999 > 75 76 O 0.42632454105211 0.63529754315403 0.11531947512948 15.999 > 75 77 O 0.81559839667287 0.48279999224362 0.91961219834349 15.999 > 77 78 O 0.81559839667287 0.98279999224362 0.91961219834349 15.999 > 77 79 O 0.32761788012600 0.46139825682257 0.24561681825959 15.999 > 79 80 O 0.32761788012600 0.96139825682257 0.24561681825959 15.999 > 79 81 O 0.82761788012600 0.28860174317743 0.74561681825959 15.999 > 49 82 O 0.82761788012600 0.78860174317743 0.74561681825959 15.999 > 49 83 O 0.68440160332713 0.26720000775638 0.08038780165651 15.999 > 51 84 O 0.68440160332713 0.76720000775638 0.08038780165651 15.999 > 51 85 O 0.17238211987400 0.28860174317743 0.75438318174041 15.999 > 53 86 O 0.17238211987400 0.78860174317743 0.75438318174041 15.999 > 53 87 O 0.68440160332713 0.23279999224362 0.58038780165651 15.999 > 55 88 O 0.68440160332713 0.73279999224362 0.58038780165651 15.999 > 55 89 O 0.07470753967349 0.14696661577766 0.42379104182403 15.999 > 57 90 O 0.07470753967349 0.64696661577766 0.42379104182403 15.999 > 57 91 O 0.07367545894789 0.38529754315403 0.38468052487052 15.999 > 59 92 O 0.07367545894789 0.88529754315403 0.38468052487052 15.999 > 59 93 O 0.17238211987400 0.21139825682257 0.25438318174041 15.999 > 61 94 O 0.17238211987400 0.71139825682257 0.25438318174041 15.999 > 61 95 O 0.92529246032651 0.14696661577766 0.07620895817596 15.999 > 63 96 O 0.92529246032651 0.64696661577766 0.07620895817596 15.999 > 63 97 O 0.31559839667287 0.26720000775638 0.41961219834349 15.999 > 65 98 O 0.31559839667287 0.76720000775638 0.41961219834349 15.999 > 65 99 O 0.92632454105211 0.11470245684597 0.61531947512948 15.999 > 67 100 O 0.92632454105211 0.61470245684597 0.61531947512948 15.999 > 67 101 O 0.07470753967349 0.35303338422234 0.92379104182404 15.999 > 69 102 O 0.07470753967349 0.85303338422234 0.92379104182404 15.999 > 69 103 O 0.92529246032651 0.35303338422234 0.57620895817596 15.999 > 71 104 O 0.92529246032651 0.85303338422234 0.57620895817596 15.999 > 71 105 O 0.07367545894789 0.11470245684597 0.88468052487052 15.999 > 73 106 O 0.07367545894789 0.61470245684597 0.88468052487052 15.999 > 73 107 O 0.92632454105211 0.38529754315403 0.11531947512948 15.999 > 75 108 O 0.92632454105211 0.88529754315403 0.11531947512948 15.999 > 75 109 O 0.31559839667287 0.23279999224362 0.91961219834349 15.999 > 77 110 O 0.31559839667287 0.73279999224362 0.91961219834349 15.999 > 77 111 O 0.82761788012600 0.21139825682257 0.24561681825959 15.999 > 79 112 O 0.82761788012600 0.71139825682257 0.24561681825959 15.999 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.2426687 0.0000000 0.0130758 0.0000000 3.2719175 0.0000000 0.0130767 0.0000000 3.3451805 -------------------------- Born effective charges -------------------------- 1 Sr 2.4984247 0.0000000 0.0980544 -0.0000000 2.6364268 0.0000000 0.0727577 0.0000000 2.5067246 2 Sr 2.4576065 0.0021737 -0.0028457 0.0005148 2.4734968 -0.0785402 -0.0053710 -0.1578159 2.6980742 3 Sr 2.4576065 0.0021737 -0.0028457 0.0005148 2.4734968 -0.0785402 -0.0053710 -0.1578159 2.6980742 4 Sr 2.4984247 0.0000000 0.0980544 -0.0000000 2.6364268 0.0000000 0.0727577 0.0000000 2.5067246 5 Sr 2.4576065 -0.0021737 -0.0028457 -0.0005148 2.4734968 0.0785402 -0.0053710 0.1578159 2.6980742 6 Sr 2.4576065 -0.0021737 -0.0028457 -0.0005148 2.4734968 0.0785402 -0.0053710 0.1578159 2.6980742 7 Mg 2.2484857 0.0016820 0.0074003 0.0072737 2.2339967 0.0050988 0.0318572 -0.0784267 2.1880792 8 Mg 2.2484857 -0.0016820 0.0074003 -0.0072737 2.2339967 -0.0050988 0.0318572 0.0784267 2.1880792 9 Si 2.7140318 0.0799515 0.0038453 0.0615325 2.8163604 0.1164699 0.0036532 0.0950778 2.9896699 10 Si 2.7140318 0.0799515 0.0038453 0.0615325 2.8163604 0.1164699 0.0036532 0.0950778 2.9896699 11 Si 2.7140318 -0.0799515 0.0038453 -0.0615325 2.8163604 -0.1164699 0.0036532 -0.0950778 2.9896699 12 Si 2.7140318 -0.0799515 0.0038453 -0.0615325 2.8163604 -0.1164699 0.0036532 -0.0950778 2.9896699 13 O -1.5184466 -0.1417598 0.0763093 -0.1578360 -1.6090215 -0.1901173 0.0498244 -0.1316969 -2.6123108 14 O -2.2344958 0.0848866 -0.3188563 0.0576149 -1.7743828 -0.0066141 -0.3100016 -0.0038538 -1.8337894 15 O -1.5184466 0.1417598 0.0763093 0.1578360 -1.6090215 0.1901173 0.0498244 0.1316969 -2.6123108 16 O -2.2344958 -0.0848866 -0.3188563 -0.0576149 -1.7743828 0.0066141 -0.3100016 0.0038538 -1.8337894 17 O -1.9121451 -0.2148797 0.1327333 -0.2360906 -2.0665140 0.2348029 0.1509856 0.2464227 -1.9547373 18 O -1.8800060 0.2725249 0.0560866 0.2747712 -2.2751507 -0.0503355 0.0586019 -0.0411742 -1.6343085 19 O -1.5184466 -0.1417598 0.0763093 -0.1578360 -1.6090215 -0.1901173 0.0498244 -0.1316969 -2.6123108 20 O -1.9121451 0.2148797 0.1327333 0.2360906 -2.0665140 -0.2348029 0.1509856 -0.2464227 -1.9547373 21 O -2.2344958 -0.0848866 -0.3188563 -0.0576149 -1.7743828 0.0066141 -0.3100016 0.0038538 -1.8337894 22 O -1.8800060 0.2725249 0.0560866 0.2747712 -2.2751507 -0.0503355 0.0586019 -0.0411742 -1.6343085 23 O -1.9121451 0.2148797 0.1327333 0.2360906 -2.0665140 -0.2348029 0.1509856 -0.2464227 -1.9547373 24 O -1.9121451 -0.2148797 0.1327333 -0.2360906 -2.0665140 0.2348029 0.1509856 0.2464227 -1.9547373 25 O -1.8800060 -0.2725249 0.0560866 -0.2747712 -2.2751507 0.0503355 0.0586019 0.0411742 -1.6343085 26 O -1.8800060 -0.2725249 0.0560866 -0.2747712 -2.2751507 0.0503355 0.0586019 0.0411742 -1.6343085 27 O -2.2344958 0.0848866 -0.3188563 0.0576149 -1.7743828 -0.0066141 -0.3100016 -0.0038538 -1.8337894 28 O -1.5184466 0.1417598 0.0763093 0.1578360 -1.6090215 0.1901173 0.0498244 0.1316969 -2.6123108 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 11 11 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: 0.59, Number of G-points: 311, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/138) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 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 1.921 ( 0.000 0.000 0.000) 0.000 1.940 ( 0.000 0.000 0.000) 0.000 2.064 ( 0.000 0.000 0.000) 0.000 2.176 ( 0.000 0.000 0.000) 0.000 2.553 ( 0.000 0.000 0.000) 0.000 2.758 ( 0.000 0.000 0.000) 0.000 2.849 ( 0.000 0.000 0.000) 0.000 3.347 ( 0.000 0.000 0.000) 0.000 3.476 ( 0.000 0.000 0.000) 0.000 3.560 ( 0.000 0.000 0.000) 0.000 3.587 ( 0.000 0.000 0.000) 0.000 3.610 ( 0.000 0.000 0.000) 0.000 3.889 ( 0.000 0.000 0.000) 0.000 3.945 ( 0.000 0.000 0.000) 0.000 3.952 ( 0.000 0.000 0.000) 0.000 4.041 ( 0.000 0.000 0.000) 0.000 4.281 ( 0.000 0.000 0.000) 0.000 4.317 ( 0.000 0.000 0.000) 0.000 4.342 ( 0.000 0.000 0.000) 0.000 4.435 ( 0.000 0.000 0.000) 0.000 4.487 ( 0.000 0.000 0.000) 0.000 4.564 ( 0.000 0.000 0.000) 0.000 4.962 ( 0.000 0.000 0.000) 0.000 5.093 ( 0.000 0.000 0.000) 0.000 5.293 ( 0.000 0.000 0.000) 0.000 5.394 ( 0.000 0.000 0.000) 0.000 5.533 ( 0.000 0.000 0.000) 0.000 5.549 ( 0.000 0.000 0.000) 0.000 5.740 ( 0.000 0.000 0.000) 0.000 5.864 ( 0.000 0.000 0.000) 0.000 5.917 ( 0.000 0.000 0.000) 0.000 6.218 ( 0.000 0.000 0.000) 0.000 6.293 ( 0.000 0.000 0.000) 0.000 6.517 ( 0.000 0.000 0.000) 0.000 6.536 ( 0.000 0.000 0.000) 0.000 7.421 ( 0.000 0.000 0.000) 0.000 7.586 ( 0.000 0.000 0.000) 0.000 8.487 ( 0.000 0.000 0.000) 0.000 8.810 ( 0.000 0.000 0.000) 0.000 9.016 ( 0.000 0.000 0.000) 0.000 9.260 ( 0.000 0.000 0.000) 0.000 10.081 ( 0.000 0.000 0.000) 0.000 10.103 ( 0.000 0.000 0.000) 0.000 10.713 ( 0.000 0.000 0.000) 0.000 10.839 ( 0.000 0.000 0.000) 0.000 10.934 ( 0.000 0.000 0.000) 0.000 10.970 ( 0.000 0.000 0.000) 0.000 10.982 ( 0.000 0.000 0.000) 0.000 11.055 ( 0.000 0.000 0.000) 0.000 11.418 ( 0.000 0.000 0.000) 0.000 11.426 ( 0.000 0.000 0.000) 0.000 11.638 ( 0.000 0.000 0.000) 0.000 12.094 ( 0.000 0.000 0.000) 0.000 14.259 ( 0.000 0.000 0.000) 0.000 14.341 ( 0.000 0.000 0.000) 0.000 14.422 ( 0.000 0.000 0.000) 0.000 14.435 ( 0.000 0.000 0.000) 0.000 14.570 ( 0.000 0.000 0.000) 0.000 14.587 ( 0.000 0.000 0.000) 0.000 14.834 ( 0.000 0.000 0.000) 0.000 15.014 ( 0.000 0.000 0.000) 0.000 15.081 ( 0.000 0.000 0.000) 0.000 15.132 ( 0.000 0.000 0.000) 0.000 15.814 ( 0.000 0.000 0.000) 0.000 16.077 ( 0.000 0.000 0.000) 0.000 25.246 ( 0.000 0.000 0.000) 0.000 25.298 ( 0.000 0.000 0.000) 0.000 25.417 ( 0.000 0.000 0.000) 0.000 25.417 ( 0.000 0.000 0.000) 0.000 25.478 ( 0.000 0.000 0.000) 0.000 25.572 ( 0.000 0.000 0.000) 0.000 25.759 ( 0.000 0.000 0.000) 0.000 25.923 ( 0.000 0.000 0.000) 0.000 26.279 ( 0.000 0.000 0.000) 0.000 26.336 ( 0.000 0.000 0.000) 0.000 26.545 ( 0.000 0.000 0.000) 0.000 26.850 ( 0.000 0.000 0.000) 0.000 29.284 ( 0.000 0.000 0.000) 0.000 29.510 ( 0.000 0.000 0.000) 0.000 29.535 ( 0.000 0.000 0.000) 0.000 31.303 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/138) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( 14.926 -29.939 1.385) 33.482 0.736 ( 14.339 -33.390 -2.598) 36.432 1.237 ( 24.899 -53.553 6.175) 59.380 1.942 ( 5.674 -2.518 -1.668) 6.428 2.093 ( 1.433 -6.712 -10.192) 12.287 2.167 ( 6.586 -3.349 -1.460) 7.532 2.206 ( 9.442 -4.735 12.395) 16.285 2.562 ( 2.268 5.369 -0.929) 5.902 2.754 ( 7.103 3.789 -9.666) 12.579 2.877 ( 7.581 -0.464 6.702) 10.129 3.370 ( 2.996 0.670 -1.941) 3.632 3.512 ( -9.275 -4.236 0.787) 10.227 3.578 ( -1.486 -1.776 1.059) 2.547 3.634 ( 3.204 -3.286 -2.138) 5.062 3.761 ( -0.567 -1.827 2.837) 3.422 3.924 ( -2.434 -2.113 -0.077) 3.225 4.017 ( 6.757 -9.565 -0.483) 11.721 4.113 ( 17.838 -8.045 -3.240) 19.835 4.204 ( 5.588 2.163 1.052) 6.083 4.294 ( 0.839 -0.265 -3.449) 3.559 4.364 ( 4.651 -6.963 -1.259) 8.467 4.497 ( 5.888 -7.125 2.004) 9.458 4.542 ( -5.305 -15.198 -2.424) 16.279 4.622 ( 13.568 -5.324 3.606) 15.015 4.825 ( 18.348 -0.378 4.962) 19.011 5.007 ( 4.381 -3.282 -4.746) 7.245 5.185 ( 6.684 -1.287 0.429) 6.820 5.383 ( 0.097 -10.519 1.888) 10.687 5.546 ( 2.577 -3.207 0.393) 4.133 5.642 ( 5.687 -7.645 0.501) 9.541 5.834 ( 3.240 -5.155 0.928) 6.159 5.926 ( -0.096 -7.164 -1.283) 7.279 5.935 ( 1.247 -5.733 0.491) 5.888 6.188 ( -0.300 -3.909 -10.098) 10.832 6.266 ( 3.833 -1.174 8.477) 9.377 6.511 ( 6.329 -2.419 -1.324) 6.904 6.634 ( 2.974 -10.612 -2.755) 11.360 7.018 ( -6.137 -4.436 6.587) 10.037 7.396 ( 1.710 3.800 -1.660) 4.485 7.549 ( -2.222 3.115 2.306) 4.467 8.406 ( -5.902 7.552 -2.849) 9.999 8.574 ( 0.681 16.695 -1.733) 16.798 9.163 ( -5.434 -9.805 -2.131) 11.411 9.816 ( -18.926 -10.290 -8.343) 23.102 10.106 ( 1.880 0.461 0.248) 1.951 10.287 ( 6.234 9.460 8.462) 14.141 10.721 ( -3.392 4.634 0.326) 5.752 10.920 ( -3.250 -2.230 -3.906) 5.549 10.930 ( 3.065 1.341 -2.354) 4.091 10.955 ( -9.182 -5.333 -0.774) 10.646 11.006 ( 1.221 1.409 0.365) 1.900 11.361 ( 2.780 8.407 -0.576) 8.874 11.414 ( -2.896 -1.555 -1.775) 3.736 11.622 ( 0.263 1.706 -4.473) 4.794 11.772 ( 11.123 -0.475 1.279) 11.207 12.491 ( -6.719 15.812 21.460) 27.490 14.243 ( 1.724 2.878 1.780) 3.798 14.305 ( -6.809 0.868 -3.839) 7.865 14.443 ( -0.235 -2.536 2.594) 3.635 14.534 ( -0.834 0.043 1.386) 1.618 14.662 ( 2.287 -3.497 2.815) 5.039 14.751 ( 5.224 -0.013 -12.373) 13.431 14.904 ( 1.002 -5.826 -1.623) 6.131 15.061 ( 0.518 -0.685 1.880) 2.067 15.175 ( -1.631 -5.753 -2.381) 6.436 15.399 ( 3.146 0.331 -0.082) 3.165 15.776 ( 0.430 4.241 0.956) 4.368 16.123 ( -6.676 1.263 0.696) 6.830 25.240 ( -2.110 3.245 0.237) 3.878 25.282 ( -1.198 -2.646 0.592) 2.964 25.442 ( -6.047 0.011 0.677) 6.085 25.467 ( 0.269 -0.345 0.627) 0.765 25.517 ( 3.772 1.267 -2.268) 4.580 25.549 ( 2.098 -3.320 -0.629) 3.978 25.811 ( -0.661 -3.199 -0.867) 3.379 26.185 ( -4.939 -2.253 -4.596) 7.113 26.383 ( 3.214 -3.879 -0.365) 5.050 26.453 ( 4.887 -13.944 -9.844) 17.755 26.662 ( 12.835 7.683 5.898) 16.079 28.270 ( 10.768 5.595 22.211) 25.310 29.272 ( -0.552 1.219 -6.549) 6.684 29.484 ( -2.293 1.609 0.003) 2.802 29.880 ( -16.680 -7.251 -3.729) 18.566 31.170 ( -6.704 11.351 0.505) 13.192 ======================= Grid point 2 (3/138) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( 8.471 -23.085 -0.915) 24.607 1.364 ( 12.237 -26.657 -1.798) 29.387 1.827 ( -5.821 -5.372 3.643) 8.719 2.051 ( 0.671 2.851 0.432) 2.961 2.309 ( 8.457 -4.606 -2.620) 9.980 2.395 ( 13.957 -23.827 -2.173) 27.699 2.530 ( 11.745 -15.984 7.710) 21.281 2.547 ( 10.558 -5.426 -0.487) 11.881 2.835 ( 14.888 -2.602 -5.688) 16.149 3.000 ( 8.827 -3.177 6.290) 11.294 3.388 ( 3.592 -0.346 -2.615) 4.456 3.450 ( -10.762 -2.907 -0.289) 11.151 3.572 ( -1.584 0.806 -0.236) 1.793 3.715 ( -0.193 -5.048 0.179) 5.055 3.837 ( -1.054 -4.173 -0.206) 4.309 3.953 ( 3.753 -0.582 -1.295) 4.013 4.168 ( 3.688 -1.634 0.859) 4.124 4.255 ( -6.622 -1.183 -4.915) 8.332 4.361 ( 8.568 -11.652 0.055) 14.463 4.492 ( 22.494 -8.320 -1.598) 24.037 4.680 ( 9.331 -10.586 5.999) 15.334 4.701 ( 5.249 -16.710 5.386) 18.324 4.775 ( 8.025 -9.558 -1.646) 12.588 4.906 ( 11.371 -15.847 -5.680) 20.315 5.065 ( 10.648 -9.405 4.118) 14.792 5.173 ( 11.364 -8.581 -5.070) 15.116 5.305 ( 6.251 -5.912 -0.182) 8.605 5.615 ( 1.682 -13.030 5.619) 14.290 5.690 ( 5.650 -8.922 1.236) 10.633 5.847 ( 6.221 -8.711 -2.956) 11.105 5.956 ( 7.712 -10.132 0.929) 12.767 6.023 ( 2.204 -2.318 -2.134) 3.846 6.155 ( 0.591 -19.163 3.071) 19.417 6.333 ( 0.921 -9.457 0.530) 9.516 6.406 ( 8.251 -11.318 2.105) 14.163 6.683 ( 11.431 -8.035 -5.304) 14.946 6.879 ( 5.754 -11.766 2.130) 13.269 7.067 ( -1.626 -6.894 -2.593) 7.543 7.335 ( 3.129 5.910 -2.950) 7.309 7.449 ( -2.329 5.760 3.890) 7.331 8.126 ( -8.711 13.465 -3.577) 16.432 8.396 ( 1.492 7.875 0.942) 8.070 9.202 ( -7.449 -2.647 -2.230) 8.214 9.735 ( -9.250 4.685 1.378) 10.461 10.087 ( -0.574 3.320 -0.252) 3.379 10.174 ( 2.548 7.814 4.905) 9.572 10.586 ( -3.006 7.997 -1.327) 8.646 10.816 ( -3.651 9.068 -1.890) 9.957 10.896 ( -0.062 4.866 -7.349) 8.814 10.906 ( -7.526 2.706 1.313) 8.105 11.028 ( -1.319 1.170 -0.977) 2.016 11.228 ( -9.074 -0.001 -1.534) 9.203 11.468 ( -1.512 -3.935 0.338) 4.229 11.559 ( 1.940 3.012 -0.045) 3.583 11.942 ( 4.181 -8.956 -4.360) 10.802 12.159 ( -1.438 15.888 19.012) 24.818 14.165 ( -5.060 3.954 -3.084) 7.124 14.266 ( 1.256 0.292 1.930) 2.321 14.491 ( 0.224 -2.221 -1.735) 2.827 14.525 ( -0.557 0.076 1.618) 1.712 14.686 ( -1.410 -0.312 -1.220) 1.890 14.807 ( 2.453 -0.472 -1.052) 2.710 14.997 ( 2.155 -3.196 -1.736) 4.227 15.116 ( 1.785 -3.352 2.270) 4.424 15.240 ( -2.699 -5.002 -1.626) 5.912 15.465 ( 3.556 -2.463 -3.747) 5.723 15.729 ( 3.894 1.445 1.056) 4.285 16.039 ( -3.035 2.725 1.582) 4.375 25.162 ( -2.129 3.176 -0.829) 3.912 25.290 ( -1.465 0.509 2.199) 2.691 25.375 ( -5.583 -0.288 0.717) 5.636 25.436 ( -0.603 3.910 -1.766) 4.332 25.489 ( -1.458 0.625 -0.455) 1.650 25.747 ( 9.256 -8.496 0.438) 12.572 25.875 ( -1.438 -5.899 -0.226) 6.076 26.183 ( -0.881 -0.924 -0.749) 1.480 26.509 ( 8.080 -3.432 -0.505) 8.793 26.668 ( 5.013 1.038 3.508) 6.206 26.769 ( 7.781 -15.339 -9.288) 19.547 28.300 ( 7.328 1.330 11.983) 14.108 29.236 ( -1.281 1.737 -3.642) 4.234 29.421 ( -3.650 2.210 0.072) 4.267 29.824 ( -10.212 -1.774 -1.636) 10.493 30.835 ( -10.540 17.494 0.688) 20.435 ======================= Grid point 3 (4/138) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( -3.115 -7.661 -4.787) 9.556 1.802 ( -1.262 -3.213 7.739) 8.474 1.888 ( 5.225 -20.775 -7.076) 22.561 2.034 ( 5.988 -0.702 2.586) 6.560 2.455 ( 9.270 -2.638 -0.621) 9.658 2.664 ( 7.980 -5.487 -0.794) 9.717 2.729 ( 7.473 -9.648 3.402) 12.668 2.896 ( 10.659 -6.693 3.552) 13.077 3.120 ( 8.508 -2.493 0.895) 8.911 3.165 ( 7.222 -9.794 -3.743) 12.731 3.416 ( -5.519 -1.972 -0.626) 5.894 3.484 ( 2.041 -2.382 -1.160) 3.345 3.569 ( 3.480 -5.153 0.074) 6.218 3.766 ( -2.597 -1.801 2.438) 3.992 3.880 ( -4.636 -5.282 -3.902) 8.038 4.010 ( 3.954 -2.239 0.767) 4.608 4.203 ( -5.403 -0.113 -4.405) 6.972 4.270 ( 3.913 -3.846 -0.171) 5.489 4.597 ( 9.802 -5.599 1.882) 11.444 4.768 ( 0.112 -8.229 4.490) 9.375 4.808 ( 11.218 -5.745 6.520) 14.190 4.944 ( 8.245 -4.621 -2.482) 9.773 5.121 ( 7.459 -11.513 -3.673) 14.201 5.204 ( 7.606 -4.372 -2.157) 9.035 5.293 ( 2.770 -11.302 3.966) 12.293 5.482 ( 6.946 -7.035 -5.199) 11.170 5.581 ( 17.220 -20.924 -1.761) 27.156 5.832 ( 6.283 -5.690 6.193) 10.498 5.899 ( 7.394 -12.960 5.956) 16.066 6.077 ( 3.493 -6.409 -4.515) 8.583 6.178 ( 8.314 -19.102 -1.721) 20.904 6.292 ( 11.616 -15.181 -2.761) 19.313 6.545 ( 4.170 -19.661 0.035) 20.098 6.559 ( 4.347 -17.136 0.182) 17.679 6.748 ( 7.160 -19.376 1.721) 20.728 6.972 ( 13.231 -9.428 -3.011) 16.524 7.070 ( 5.963 -5.674 5.940) 10.151 7.214 ( 1.416 -6.887 -4.611) 8.408 7.288 ( 4.839 1.063 -0.121) 4.956 7.367 ( 4.731 2.265 -0.124) 5.246 7.865 ( -6.004 8.288 -0.555) 10.249 8.316 ( 1.274 3.261 -0.149) 3.504 9.119 ( -6.182 4.303 -1.574) 7.694 9.490 ( -8.898 12.827 2.701) 15.843 9.996 ( -2.586 5.464 0.043) 6.045 10.086 ( 0.708 5.151 3.634) 6.344 10.402 ( -2.527 10.394 -1.244) 10.769 10.560 ( -13.242 11.501 -4.360) 18.073 10.651 ( -9.853 12.159 -2.049) 15.784 10.832 ( -1.351 5.229 0.051) 5.400 10.932 ( -1.666 6.773 -3.073) 7.622 11.186 ( -11.774 -3.329 -1.803) 12.367 11.367 ( -0.100 6.271 1.493) 6.447 11.715 ( 3.897 -10.079 -0.447) 10.816 11.876 ( -1.010 10.843 21.607) 24.197 12.205 ( 5.814 -9.879 -12.563) 17.007 14.051 ( -4.416 3.843 -3.038) 6.595 14.288 ( 2.413 -0.062 2.444) 3.435 14.479 ( 0.377 1.566 -1.075) 1.937 14.557 ( -1.033 -3.211 5.927) 6.819 14.678 ( -0.469 -0.393 -0.832) 1.033 14.819 ( 0.685 0.027 -1.858) 1.980 15.058 ( 0.462 -2.997 0.177) 3.037 15.192 ( 3.614 -2.111 0.689) 4.242 15.285 ( -4.293 -3.312 -5.335) 7.607 15.481 ( 0.517 1.044 2.196) 2.486 15.839 ( 7.780 -5.056 -1.927) 9.476 15.979 ( -0.988 1.920 1.282) 2.512 25.096 ( -2.457 2.101 -0.832) 3.338 25.252 ( -0.839 2.030 2.604) 3.407 25.345 ( -6.525 -1.314 0.004) 6.656 25.358 ( 1.507 4.118 -1.654) 4.687 25.455 ( -1.442 1.764 -0.096) 2.281 25.913 ( 0.727 -5.019 1.140) 5.198 26.009 ( 9.942 -4.025 -1.290) 10.803 26.210 ( -3.707 -5.648 0.186) 6.759 26.588 ( 5.714 1.894 -0.339) 6.029 26.770 ( 6.475 -5.824 2.821) 9.154 27.073 ( 5.782 -12.622 -7.158) 15.620 28.376 ( 7.503 -1.840 7.806) 10.983 29.192 ( -1.304 1.880 -2.665) 3.512 29.351 ( -3.763 1.678 0.006) 4.120 29.746 ( -8.112 0.373 -1.239) 8.214 30.427 ( -10.988 17.784 0.866) 20.923 ======================= Grid point 4 (5/138) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( -3.957 -1.957 -5.163) 6.793 1.769 ( -3.706 1.273 4.027) 5.619 2.160 ( 3.640 -8.188 0.905) 9.006 2.296 ( 10.317 -14.712 -1.062) 18.000 2.562 ( 7.613 0.511 0.533) 7.649 2.815 ( 6.263 -3.072 -4.127) 8.105 2.905 ( 3.394 -6.385 2.593) 7.682 3.105 ( 6.466 -7.535 5.339) 11.273 3.255 ( 4.474 -6.395 -0.939) 7.861 3.283 ( 3.909 -1.660 -1.889) 4.648 3.395 ( -1.323 0.406 0.087) 1.386 3.456 ( -0.885 2.162 0.774) 2.461 3.699 ( 1.624 -1.240 -1.319) 2.432 3.754 ( -0.633 -0.371 0.807) 1.091 3.914 ( -4.698 -4.026 -2.305) 6.602 4.079 ( -1.604 -2.429 2.718) 3.983 4.166 ( 0.283 0.224 -2.487) 2.513 4.287 ( -4.772 1.856 -3.887) 6.428 4.722 ( 4.555 -1.429 -0.063) 4.775 4.895 ( 3.213 -4.859 7.796) 9.732 5.019 ( 8.369 -7.706 -0.876) 11.410 5.090 ( 8.155 -1.999 1.897) 8.608 5.223 ( -3.242 -2.749 -4.125) 5.923 5.300 ( 2.907 -2.295 0.663) 3.763 5.494 ( 3.653 -6.574 3.517) 8.303 5.599 ( 5.070 -2.639 -4.691) 7.394 5.919 ( -0.349 -3.147 5.671) 6.494 6.083 ( 12.113 -17.159 -4.081) 21.397 6.186 ( 8.446 -11.106 5.449) 14.979 6.294 ( 3.714 -13.265 -4.360) 14.449 6.592 ( 8.310 -8.867 -2.479) 12.403 6.642 ( 12.008 -19.883 -2.684) 23.382 6.757 ( 2.579 -1.890 -0.503) 3.237 6.897 ( 7.491 -11.351 -0.442) 13.607 7.045 ( 2.763 -5.591 0.949) 6.309 7.206 ( 5.189 -4.905 3.700) 8.042 7.222 ( 0.549 -18.529 4.176) 19.001 7.355 ( 3.896 -2.972 -5.199) 7.144 7.390 ( 3.062 -9.413 -0.594) 9.916 7.626 ( 24.475 -15.774 1.460) 29.155 7.772 ( 0.285 -1.845 1.161) 2.199 8.295 ( 1.245 1.889 -3.202) 3.921 8.954 ( -4.728 8.617 -1.301) 9.915 9.189 ( -8.798 11.632 2.511) 14.799 9.860 ( -2.145 7.311 0.338) 7.626 10.006 ( -1.205 4.715 3.705) 6.117 10.168 ( -12.383 10.911 2.097) 16.637 10.278 ( -2.623 7.793 -8.391) 11.748 10.362 ( -7.212 11.917 0.076) 13.930 10.674 ( -5.433 10.442 -0.470) 11.780 10.794 ( -5.821 4.012 1.110) 7.156 11.101 ( -6.836 0.283 -0.583) 6.866 11.329 ( 0.833 0.587 -2.844) 3.021 11.687 ( -2.541 7.294 7.624) 10.853 11.922 ( 4.707 -6.596 5.646) 9.876 12.401 ( 3.642 -7.599 -9.182) 12.463 13.956 ( -2.900 3.120 -1.771) 4.613 14.301 ( 1.264 0.537 1.985) 2.414 14.496 ( 1.988 -2.027 3.621) 4.601 14.591 ( -0.045 -1.398 3.201) 3.493 14.691 ( -0.039 -0.946 -1.293) 1.603 14.836 ( 0.522 -1.850 -1.695) 2.563 15.106 ( -0.278 -2.260 0.645) 2.366 15.205 ( -1.379 3.830 -5.773) 7.064 15.279 ( -0.651 -1.750 0.080) 1.869 15.502 ( 0.563 -2.618 2.630) 3.754 15.901 ( 1.827 3.012 3.445) 4.927 16.027 ( 3.686 -5.052 -3.999) 7.423 25.045 ( -2.294 1.228 -0.359) 2.627 25.218 ( -0.281 1.394 1.952) 2.415 25.276 ( -2.077 2.577 -1.288) 3.551 25.346 ( -0.823 -0.359 0.002) 0.897 25.411 ( -1.061 1.727 -0.258) 2.043 25.980 ( -0.426 -3.168 0.652) 3.263 26.111 ( 7.701 1.659 -0.868) 7.926 26.312 ( -2.170 -8.683 0.033) 8.950 26.597 ( 2.874 1.447 -0.013) 3.217 26.927 ( 5.766 -4.879 1.803) 7.766 27.284 ( 2.963 -7.507 -3.931) 8.977 28.500 ( 7.209 -3.815 4.774) 9.451 29.155 ( -0.642 1.101 -2.561) 2.861 29.300 ( -2.652 0.671 -0.084) 2.737 29.653 ( -7.073 2.340 -0.859) 7.499 30.069 ( -8.089 12.946 1.066) 15.303 ======================= Grid point 5 (6/138) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( -1.328 -0.723 -2.489) 2.912 1.721 ( -1.254 1.157 1.944) 2.587 2.309 ( 1.195 -5.490 1.127) 5.731 2.559 ( 4.491 -6.131 -1.203) 7.695 2.572 ( 2.849 2.766 0.712) 4.034 2.890 ( 3.151 -0.873 -2.226) 3.955 3.015 ( 0.429 -3.638 0.069) 3.663 3.233 ( -0.299 -3.809 1.971) 4.299 3.311 ( -0.091 0.531 -1.088) 1.214 3.382 ( 3.923 -1.689 0.409) 4.290 3.402 ( 1.078 -1.860 0.441) 2.195 3.428 ( 1.193 1.229 1.583) 2.332 3.702 ( 0.715 -0.255 0.671) 1.013 3.741 ( -1.649 1.152 -1.669) 2.613 3.943 ( 1.409 -1.931 0.922) 2.562 4.042 ( -5.793 1.395 0.698) 6.000 4.171 ( -1.571 2.004 -1.787) 3.111 4.207 ( -0.463 -0.313 -2.315) 2.382 4.759 ( 1.010 -0.309 -0.320) 1.104 4.966 ( 0.728 -1.471 2.244) 2.780 5.135 ( 2.454 1.092 1.482) 3.068 5.194 ( 3.361 -3.891 -1.225) 5.286 5.255 ( 0.274 -2.828 -0.299) 2.857 5.356 ( 1.617 -1.764 1.106) 2.636 5.489 ( -1.938 3.219 -1.518) 4.053 5.755 ( 7.402 -5.057 1.397) 9.073 5.919 ( -4.807 0.557 0.814) 4.907 6.301 ( 2.869 -3.624 -0.715) 4.677 6.426 ( 3.059 -5.898 0.806) 6.693 6.543 ( 4.686 -10.774 -3.189) 12.174 6.693 ( -1.207 1.755 1.738) 2.749 6.733 ( 1.503 0.963 0.158) 1.792 6.979 ( 3.321 -10.442 -1.725) 11.093 7.101 ( 8.477 -1.200 -3.496) 9.247 7.162 ( 0.376 -0.907 1.317) 1.643 7.241 ( 0.803 -2.180 4.379) 4.957 7.342 ( 0.187 -1.225 -0.714) 1.430 7.439 ( 0.977 -2.277 -1.477) 2.885 7.679 ( 2.972 -11.273 0.856) 11.690 7.909 ( 4.089 -7.927 2.572) 9.283 8.110 ( 12.387 -12.431 2.193) 17.686 8.254 ( 0.426 0.971 -4.963) 5.075 8.745 ( -4.037 10.434 -2.415) 11.446 8.985 ( -4.290 4.036 2.763) 6.506 9.745 ( -0.771 3.753 -0.370) 3.849 9.905 ( 2.244 8.236 -0.576) 8.556 9.927 ( -8.955 0.841 2.847) 9.434 10.153 ( -3.446 5.440 0.147) 6.441 10.224 ( 1.038 -0.556 -2.988) 3.212 10.438 ( -6.160 7.779 0.001) 9.922 10.711 ( -2.554 1.046 1.243) 3.027 11.063 ( -1.307 0.094 -0.406) 1.372 11.327 ( -0.041 0.219 -2.123) 2.135 11.583 ( -0.851 2.881 3.179) 4.374 12.031 ( 1.627 -2.440 1.780) 3.431 12.512 ( 1.212 -2.758 -3.372) 4.522 13.898 ( -1.034 1.260 -0.500) 1.705 14.305 ( 0.551 0.055 0.917) 1.071 14.557 ( 0.482 -2.889 2.217) 3.673 14.602 ( 1.557 1.163 1.519) 2.467 14.695 ( -1.039 -0.402 -2.024) 2.311 14.893 ( 1.669 -2.927 0.801) 3.463 15.080 ( -2.701 3.573 -1.808) 4.830 15.149 ( -0.364 -0.338 -1.437) 1.520 15.303 ( 0.584 -0.520 0.489) 0.923 15.548 ( 0.170 -1.690 0.479) 1.765 15.868 ( 0.480 1.650 1.687) 2.408 16.115 ( 1.557 -1.924 -1.592) 2.942 25.014 ( -0.982 0.437 -0.049) 1.076 25.201 ( -0.010 0.495 0.876) 1.006 25.232 ( -0.661 0.976 -0.694) 1.368 25.346 ( -0.258 -0.158 0.037) 0.305 25.383 ( -0.386 0.673 -0.151) 0.791 26.013 ( -0.144 -1.082 0.235) 1.116 26.135 ( 2.268 0.743 -0.285) 2.404 26.406 ( -0.230 -3.208 -0.079) 3.218 26.601 ( 0.931 0.370 0.009) 1.002 27.025 ( 2.219 -1.813 0.618) 2.931 27.382 ( 0.805 -2.361 -1.119) 2.734 28.611 ( 3.335 -2.153 1.868) 4.387 29.152 ( 0.608 -0.562 -1.856) 2.033 29.275 ( -1.013 0.213 0.105) 1.041 29.538 ( -4.383 3.135 0.058) 5.389 29.876 ( -2.493 3.915 0.444) 4.663 ======================= Grid point 12 (7/138) ======================= q-point: ( 0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( 32.528 -0.000 2.636) 32.634 0.654 ( 32.334 -0.000 7.561) 33.206 1.157 ( 51.744 -0.000 5.179) 52.002 2.007 ( 6.083 -0.000 -2.436) 6.553 2.043 ( -1.986 0.000 -10.155) 10.347 2.188 ( 8.842 -0.000 -2.496) 9.187 2.293 ( 19.048 -0.000 16.182) 24.994 2.630 ( -3.507 0.000 -0.343) 3.524 2.913 ( 7.187 -0.000 -4.725) 8.601 2.932 ( 10.051 -0.000 -8.262) 13.010 3.346 ( -4.101 0.000 -3.919) 5.672 3.499 ( 2.869 -0.000 3.969) 4.898 3.570 ( 0.363 -0.000 0.112) 0.380 3.673 ( 6.685 -0.000 7.431) 9.995 3.776 ( 8.997 -0.000 -6.680) 11.206 3.962 ( 6.239 -0.000 -0.962) 6.313 3.985 ( 7.350 -0.000 0.177) 7.352 4.122 ( 18.060 -0.000 -5.732) 18.948 4.249 ( -4.168 0.000 -6.884) 8.048 4.273 ( 0.005 -0.000 0.498) 0.498 4.365 ( 2.310 -0.000 1.139) 2.576 4.441 ( 14.369 -0.000 -0.285) 14.372 4.496 ( 8.971 -0.000 6.105) 10.852 4.760 ( 17.917 -0.000 7.128) 19.283 4.997 ( 7.082 -0.000 -8.222) 10.852 5.172 ( 7.031 -0.000 -0.682) 7.064 5.240 ( -0.122 0.000 3.038) 3.041 5.508 ( 10.679 -0.000 0.896) 10.716 5.510 ( 14.471 -0.000 7.256) 16.188 5.576 ( 5.533 -0.000 -6.896) 8.841 5.858 ( -0.393 0.000 5.075) 5.091 5.888 ( -2.218 0.000 -5.385) 5.823 5.907 ( 16.031 -0.000 10.710) 19.280 6.155 ( 1.072 -0.000 -24.942) 24.965 6.287 ( -0.456 0.000 -0.144) 0.478 6.495 ( -0.765 0.000 -21.911) 21.925 6.594 ( 6.499 -0.000 -7.417) 9.862 6.918 ( 8.666 -0.000 55.568) 56.240 7.453 ( 3.317 -0.000 -2.794) 4.337 7.539 ( -4.733 0.000 4.118) 6.274 8.415 ( -6.679 0.000 -2.664) 7.191 8.624 ( -15.163 0.000 -4.031) 15.690 9.243 ( 1.271 -0.000 -22.318) 22.355 9.309 ( 2.088 -0.000 6.406) 6.738 10.126 ( 0.782 -0.000 -3.526) 3.612 10.418 ( 0.506 -0.000 13.787) 13.796 10.694 ( -4.334 0.000 1.129) 4.478 10.782 ( -4.601 0.000 1.605) 4.873 10.897 ( 1.938 -0.000 -3.267) 3.798 10.997 ( 3.913 -0.000 -5.522) 6.768 11.075 ( 3.214 -0.000 2.359) 3.986 11.363 ( -5.517 0.000 -1.377) 5.687 11.427 ( 0.872 -0.000 -3.395) 3.505 11.666 ( 2.728 -0.000 2.063) 3.421 11.964 ( -12.438 0.000 -2.277) 12.644 12.405 ( -16.507 0.000 -4.134) 17.017 14.293 ( 2.667 -0.000 1.235) 2.939 14.387 ( -4.307 0.000 2.153) 4.816 14.401 ( -1.631 0.000 5.508) 5.744 14.481 ( 2.567 -0.000 12.920) 13.173 14.678 ( 8.457 -0.000 4.965) 9.807 14.824 ( 2.704 -0.000 -18.435) 18.632 14.843 ( 0.660 -0.000 0.355) 0.749 15.033 ( 1.791 -0.000 -2.069) 2.736 15.087 ( 0.578 -0.000 -0.785) 0.975 15.437 ( 0.207 -0.000 2.421) 2.430 15.821 ( 0.634 -0.000 1.741) 1.853 16.026 ( -4.449 0.000 0.188) 4.453 25.216 ( -2.798 0.000 1.773) 3.313 25.273 ( -2.047 0.000 -1.963) 2.836 25.389 ( -2.566 0.000 -1.969) 3.234 25.441 ( 1.121 -0.000 1.641) 1.988 25.508 ( -3.756 0.000 0.859) 3.853 25.557 ( 4.449 -0.000 2.438) 5.073 25.947 ( 0.457 -0.000 -17.014) 17.020 26.062 ( 9.471 -0.000 4.556) 10.509 26.310 ( 4.841 -0.000 -0.459) 4.863 26.371 ( 3.808 -0.000 -1.063) 3.954 26.935 ( 9.073 -0.000 -6.062) 10.912 28.547 ( 1.393 -0.000 59.330) 59.346 29.288 ( -1.382 0.000 -41.028) 41.051 29.478 ( -3.249 0.000 1.416) 3.544 29.488 ( -4.521 0.000 0.139) 4.524 31.168 ( -13.405 0.000 1.067) 13.448 ======================= Grid point 13 (8/138) ======================= q-point: ( 0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( 21.971 -13.312 -0.462) 25.694 1.138 ( 23.787 -18.890 0.851) 30.387 1.699 ( 9.271 -9.179 9.340) 16.045 2.082 ( -1.082 -2.136 -0.667) 2.485 2.117 ( 13.009 -15.498 -5.877) 21.071 2.345 ( 14.074 -6.232 -5.434) 16.323 2.506 ( 12.232 -4.463 9.031) 15.846 2.623 ( 8.992 -0.347 6.341) 11.009 2.954 ( 13.205 2.516 -8.415) 15.859 3.085 ( 14.015 -2.202 0.527) 14.197 3.323 ( -4.592 -0.919 -1.970) 5.080 3.493 ( 3.877 3.762 1.128) 5.519 3.542 ( -1.920 -0.779 -0.730) 2.197 3.754 ( 6.310 3.870 -2.014) 7.672 3.798 ( 3.752 0.394 1.370) 4.014 4.024 ( 12.685 -0.562 -2.444) 12.930 4.175 ( -4.865 -3.319 -7.995) 9.930 4.210 ( 4.889 2.296 0.499) 5.424 4.272 ( 13.273 -6.417 0.491) 14.750 4.485 ( -0.631 -13.477 -0.083) 13.492 4.528 ( 20.830 -15.825 -1.174) 26.186 4.664 ( 18.846 -5.267 -0.273) 19.570 4.732 ( 16.938 -9.931 9.744) 21.919 4.938 ( 13.086 -4.398 -1.353) 13.872 5.042 ( 13.935 4.570 -3.873) 15.168 5.251 ( 16.352 -3.958 0.444) 16.830 5.374 ( 1.527 -12.301 2.694) 12.684 5.454 ( 16.243 9.726 2.574) 19.106 5.656 ( 6.066 -3.282 -4.592) 8.286 5.826 ( 11.369 -6.862 -1.358) 13.349 5.881 ( 6.035 -4.846 4.543) 8.975 5.935 ( 1.790 -7.803 4.028) 8.962 6.058 ( 10.365 0.823 4.924) 11.504 6.210 ( 2.991 -6.022 -3.115) 7.410 6.329 ( 3.511 -5.992 -4.919) 8.510 6.692 ( 6.027 -15.730 -12.568) 21.017 6.712 ( 10.793 -5.301 -10.927) 16.247 7.015 ( 6.935 -0.377 26.279) 27.181 7.443 ( -0.016 3.994 -0.088) 3.995 7.488 ( -0.557 1.678 2.570) 3.120 8.242 ( -10.078 10.530 -4.583) 15.279 8.464 ( -10.176 2.796 -1.196) 10.621 9.134 ( 1.749 1.533 -4.363) 4.944 9.541 ( -12.205 -11.879 1.890) 17.136 10.108 ( -2.912 1.405 -3.584) 4.827 10.324 ( 0.253 8.702 9.413) 12.822 10.658 ( -2.973 2.416 -1.526) 4.124 10.757 ( -11.076 -2.203 -0.995) 11.336 10.939 ( 3.953 -0.337 3.439) 5.250 11.003 ( -1.078 6.244 -0.369) 6.347 11.044 ( 3.896 2.906 -1.942) 5.234 11.279 ( -4.804 5.451 -0.164) 7.268 11.405 ( -0.754 0.483 -4.833) 4.915 11.651 ( 1.911 4.678 -0.599) 5.088 11.833 ( -2.843 -4.154 -8.666) 10.022 12.211 ( -19.729 3.499 7.961) 21.561 14.228 ( -2.529 6.866 0.211) 7.320 14.317 ( 4.175 1.775 4.282) 6.238 14.418 ( -1.949 -3.330 2.462) 4.577 14.546 ( 1.251 -0.431 0.383) 1.377 14.695 ( 1.937 2.840 -1.734) 3.850 14.856 ( 6.293 1.252 -2.704) 6.963 14.924 ( 0.671 -6.141 -0.406) 6.191 15.094 ( 3.132 -3.589 1.301) 4.938 15.141 ( -1.627 -4.271 -4.093) 6.135 15.445 ( 1.465 -1.452 -0.117) 2.066 15.796 ( 1.555 2.840 1.985) 3.798 16.009 ( -4.295 -1.614 1.555) 4.845 25.178 ( -3.691 1.668 0.979) 4.167 25.258 ( -1.643 -1.168 -1.059) 2.277 25.343 ( -3.275 1.741 0.375) 3.728 25.453 ( -2.602 -1.290 0.015) 2.904 25.501 ( -0.039 1.326 -0.170) 1.338 25.661 ( 4.662 -8.289 2.038) 9.726 25.855 ( 3.061 3.573 -3.274) 5.732 26.240 ( 4.816 -0.436 -1.043) 4.947 26.386 ( -3.187 -9.809 -1.126) 10.375 26.517 ( 10.994 -6.441 1.132) 12.792 26.992 ( 18.281 4.765 -7.379) 20.282 28.463 ( 7.407 8.364 23.487) 26.009 29.242 ( -2.272 1.345 -11.456) 11.756 29.407 ( -5.216 1.390 0.329) 5.408 29.602 ( -10.789 -10.635 -3.027) 15.449 30.932 ( -17.064 9.620 1.218) 19.627 ======================= Grid point 14 (9/138) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( 1.907 -7.291 -5.504) 9.332 1.624 ( 4.101 -14.668 -5.378) 16.152 1.765 ( 8.655 -5.900 11.019) 15.203 2.096 ( 4.889 -0.096 0.349) 4.902 2.465 ( 7.461 -9.515 -5.317) 13.209 2.662 ( 9.914 -6.812 7.457) 14.153 2.709 ( 15.599 -7.837 2.876) 17.693 2.832 ( 10.670 -9.658 3.409) 14.790 3.076 ( 6.916 -3.231 -6.586) 10.082 3.256 ( 4.921 -5.862 -1.359) 7.774 3.307 ( 7.898 2.716 0.134) 8.353 3.483 ( 2.342 -0.930 0.480) 2.565 3.581 ( 4.115 -1.167 -0.129) 4.279 3.730 ( 2.621 1.614 -2.436) 3.926 3.825 ( 0.804 -0.308 1.467) 1.701 4.086 ( 6.587 3.683 -1.002) 7.613 4.169 ( -1.035 -0.439 -6.321) 6.420 4.246 ( 3.089 -2.847 0.943) 4.305 4.568 ( 12.110 -11.148 1.119) 16.498 4.735 ( 8.470 -8.626 6.415) 13.685 4.868 ( 15.483 1.058 -0.253) 15.521 4.930 ( 12.112 -9.614 -1.886) 15.578 5.064 ( 16.811 -8.835 1.312) 19.036 5.105 ( 7.605 -7.155 -0.356) 10.448 5.335 ( 18.341 -12.000 -2.884) 22.107 5.466 ( 13.384 2.915 -0.940) 13.730 5.511 ( 18.373 -4.833 -0.911) 19.020 5.670 ( 4.413 -17.941 5.271) 19.213 5.824 ( 6.192 -8.713 0.826) 10.721 5.967 ( 5.824 -10.451 -2.421) 12.207 6.059 ( 5.086 -0.966 0.341) 5.188 6.183 ( 3.422 -17.679 6.924) 19.292 6.231 ( 16.717 -10.468 -0.452) 19.729 6.371 ( 4.847 -10.371 -0.630) 11.466 6.580 ( 9.009 -14.206 -7.439) 18.393 6.956 ( 11.989 -8.078 -6.759) 15.959 7.031 ( 10.060 -12.613 -1.829) 16.237 7.108 ( 7.291 -3.790 8.138) 11.565 7.369 ( 1.468 2.725 3.512) 4.681 7.467 ( 5.822 3.472 0.119) 6.779 7.961 ( -7.398 10.646 -3.259) 13.368 8.341 ( -6.648 2.262 0.976) 7.090 9.123 ( -1.555 1.432 -3.795) 4.344 9.473 ( -17.494 1.448 4.549) 18.134 10.022 ( -5.361 3.341 -2.194) 6.687 10.197 ( 0.177 7.112 6.779) 9.827 10.517 ( -11.289 8.806 2.706) 14.570 10.586 ( -8.458 6.411 -10.530) 14.951 10.809 ( -3.871 12.253 1.674) 12.958 10.931 ( 3.971 6.742 4.487) 9.020 11.029 ( -7.262 -2.470 1.754) 7.869 11.126 ( 4.219 11.366 -10.316) 15.919 11.464 ( 0.881 1.286 1.117) 1.917 11.573 ( -3.973 -3.800 -1.191) 5.625 11.924 ( -4.666 -1.595 7.957) 9.361 12.051 ( -6.312 -7.453 -2.821) 10.166 14.108 ( -1.687 5.305 -2.031) 5.926 14.331 ( 3.507 1.242 4.799) 6.073 14.465 ( -2.029 -4.216 0.528) 4.708 14.530 ( 1.045 2.696 0.446) 2.926 14.670 ( -0.160 0.835 -1.470) 1.698 14.871 ( 4.276 2.715 -1.284) 5.226 14.995 ( -1.018 -2.803 1.983) 3.581 15.191 ( -1.571 -4.198 -4.390) 6.274 15.206 ( 6.094 -3.633 0.635) 7.124 15.483 ( -0.984 -1.022 -2.007) 2.458 15.819 ( 4.552 -3.087 0.020) 5.500 15.990 ( -1.825 0.511 2.745) 3.336 25.107 ( -3.143 2.366 -0.091) 3.935 25.268 ( -2.113 -1.668 -0.636) 2.766 25.283 ( -1.943 2.088 1.658) 3.299 25.443 ( -3.024 -0.453 0.082) 3.058 25.453 ( 1.603 4.510 -1.056) 4.902 25.832 ( 0.973 -5.358 0.994) 5.535 25.927 ( 2.927 -10.088 -0.475) 10.515 26.241 ( 5.973 4.475 -0.759) 7.502 26.491 ( -8.207 -8.367 -0.848) 11.750 26.736 ( 11.735 -5.724 3.047) 13.407 27.151 ( 21.722 0.221 -8.075) 23.176 28.449 ( 7.158 2.358 11.950) 14.128 29.198 ( -2.475 1.008 -5.092) 5.750 29.331 ( -5.330 1.420 0.229) 5.521 29.623 ( -9.725 -4.638 -1.791) 10.922 30.560 ( -17.165 13.968 1.096) 22.158 ======================= Grid point 15 (10/138) ======================= q-point: ( 0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( -8.079 -4.891 -5.568) 10.964 1.674 ( -8.184 -4.048 2.175) 9.386 2.113 ( 12.424 -9.541 -3.513) 16.053 2.225 ( 13.422 -6.437 5.302) 15.802 2.659 ( 10.267 -3.662 -2.535) 11.191 2.848 ( 10.237 -3.322 -0.255) 10.766 2.895 ( 9.301 -1.201 5.912) 11.086 3.037 ( 3.459 -5.901 5.391) 8.709 3.194 ( 4.157 -5.363 -3.260) 7.528 3.287 ( -0.571 -3.247 -4.717) 5.755 3.378 ( 2.985 -0.832 -1.121) 3.295 3.518 ( 2.929 3.756 -0.043) 4.763 3.663 ( -0.505 -3.482 0.999) 3.657 3.770 ( 6.564 -1.782 0.909) 6.862 3.841 ( 0.430 -1.066 -1.104) 1.593 4.075 ( 1.123 2.117 2.375) 3.374 4.200 ( 6.512 0.093 -5.624) 8.605 4.269 ( -2.998 1.022 -0.293) 3.180 4.828 ( 4.979 -7.833 5.191) 10.635 4.883 ( 17.832 5.623 1.150) 18.733 5.031 ( 13.961 -5.776 2.368) 15.293 5.143 ( 7.390 -4.714 -4.316) 9.771 5.181 ( 2.578 -0.984 3.334) 4.328 5.392 ( 10.870 -8.721 -2.250) 14.117 5.435 ( 14.281 6.544 -0.464) 15.716 5.631 ( 10.362 -1.461 -2.350) 10.725 5.886 ( 7.326 -11.159 -5.217) 14.332 5.922 ( 6.519 -7.950 6.296) 12.056 6.053 ( 8.063 -14.443 7.242) 18.057 6.139 ( 5.303 -7.849 -4.216) 10.369 6.353 ( 7.577 -21.378 -4.634) 23.150 6.559 ( 10.333 -11.576 -0.075) 15.517 6.616 ( 1.904 -21.015 1.011) 21.125 6.649 ( 10.036 -19.184 1.454) 21.699 6.909 ( 8.587 -13.359 -5.408) 16.777 7.054 ( 0.264 0.721 2.990) 3.087 7.211 ( 2.785 -2.392 5.111) 6.293 7.281 ( 7.690 -7.501 -2.034) 10.933 7.435 ( 7.781 1.618 -4.839) 9.305 7.626 ( 19.515 -10.476 3.975) 22.502 7.792 ( 0.020 3.715 -1.571) 4.034 8.272 ( -5.723 -1.141 0.391) 5.848 9.032 ( -4.141 5.924 -1.949) 7.486 9.216 ( -17.723 7.268 2.257) 19.288 9.899 ( -7.120 4.391 0.311) 8.371 10.065 ( -6.054 6.213 4.717) 9.874 10.241 ( -7.163 9.073 0.519) 11.571 10.421 ( -1.720 8.409 -9.085) 12.499 10.552 ( -2.184 14.137 0.506) 14.314 10.813 ( 1.381 10.742 7.222) 13.018 10.869 ( -9.223 9.084 -4.712) 13.776 11.055 ( 1.368 1.570 -2.039) 2.914 11.376 ( 0.048 3.827 0.295) 3.839 11.646 ( -9.827 -4.476 -2.099) 11.000 11.898 ( 3.558 -1.653 14.180) 14.712 12.222 ( -3.524 -13.223 -10.439) 17.211 14.016 ( -0.179 4.580 -2.162) 5.068 14.337 ( 1.957 1.471 5.091) 5.649 14.487 ( -0.396 0.020 -3.658) 3.679 14.539 ( 0.007 -3.634 6.272) 7.249 14.664 ( -1.117 -0.563 -1.859) 2.240 14.870 ( 4.667 1.864 -0.325) 5.036 15.028 ( -2.131 -3.109 1.414) 4.026 15.214 ( -2.491 0.036 -6.035) 6.529 15.310 ( 6.818 -0.875 -0.277) 6.879 15.480 ( -0.015 -1.027 2.062) 2.303 15.950 ( 3.414 -4.372 -1.434) 5.729 15.956 ( -1.323 -0.009 1.657) 2.120 25.047 ( -2.138 1.612 -0.039) 2.678 25.238 ( -1.323 1.339 1.439) 2.369 25.266 ( -1.322 0.055 -0.950) 1.629 25.395 ( 0.720 3.305 -0.003) 3.383 25.416 ( -0.825 1.211 -0.495) 1.546 25.912 ( 0.009 -4.433 0.549) 4.467 26.125 ( -2.857 -9.597 0.161) 10.014 26.241 ( 8.843 1.806 -0.903) 9.070 26.521 ( -7.235 -4.700 -0.150) 8.629 26.917 ( 8.463 -3.869 2.391) 9.607 27.354 ( 19.410 0.262 -5.526) 20.183 28.515 ( 6.175 -1.917 6.826) 9.402 29.160 ( -1.831 0.910 -2.904) 3.551 29.269 ( -4.464 0.042 -0.203) 4.469 29.587 ( -7.941 -1.434 -1.234) 8.163 30.175 ( -14.548 12.681 1.098) 19.330 ======================= Grid point 16 (11/138) ======================= q-point: ( 0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( -8.429 -6.240 -3.857) 11.174 1.658 ( -7.338 -3.268 2.329) 8.363 2.282 ( 8.000 -2.358 -1.067) 8.408 2.503 ( 10.223 -8.158 1.525) 13.168 2.755 ( 10.628 5.334 -0.210) 11.894 2.914 ( 2.072 1.299 0.105) 2.448 2.990 ( 6.786 -1.986 -2.059) 7.364 3.169 ( 2.533 -4.924 3.307) 6.450 3.253 ( -1.954 -4.573 0.196) 4.977 3.395 ( 2.668 -1.809 -1.393) 3.512 3.448 ( 4.996 -2.789 0.022) 5.722 3.466 ( 2.957 4.125 -0.451) 5.096 3.664 ( -2.453 -1.980 1.968) 3.716 3.783 ( 1.348 5.043 -2.378) 5.737 3.927 ( 4.134 -5.208 1.757) 6.877 4.043 ( -0.963 2.112 1.251) 2.636 4.178 ( -4.262 3.340 -0.920) 5.492 4.252 ( 7.186 2.147 -2.387) 7.871 4.900 ( 13.211 6.701 0.124) 14.814 4.969 ( 4.776 -1.219 3.168) 5.859 5.129 ( -1.907 1.008 -0.095) 2.159 5.256 ( 11.178 -2.894 2.340) 11.781 5.311 ( 12.025 0.215 0.309) 12.031 5.450 ( 9.410 3.711 -5.189) 11.368 5.550 ( 8.597 4.196 0.550) 9.582 5.741 ( 7.787 -2.220 -2.855) 8.585 5.888 ( -1.429 0.011 5.017) 5.216 6.235 ( 4.527 -9.301 -4.050) 11.109 6.326 ( 4.469 -9.897 5.701) 12.265 6.375 ( 5.834 -13.274 -3.707) 14.966 6.655 ( -0.811 -6.221 -1.309) 6.409 6.756 ( 1.299 -1.162 -0.456) 1.801 6.826 ( 3.864 -10.469 -0.517) 11.172 7.055 ( 7.357 -16.568 2.600) 18.313 7.132 ( 4.344 -3.633 -3.251) 6.530 7.190 ( -2.919 -4.705 2.932) 6.266 7.295 ( 3.273 -13.414 1.075) 13.849 7.427 ( 3.543 3.095 -4.208) 6.311 7.479 ( 5.134 -8.453 1.578) 10.015 7.803 ( 1.924 -5.977 2.802) 6.876 8.016 ( 11.386 -10.670 -0.100) 15.605 8.238 ( -6.825 -0.666 -2.222) 7.208 8.872 ( -4.445 7.689 -0.218) 8.884 8.941 ( -15.005 4.816 0.997) 15.791 9.753 ( -8.509 3.191 0.754) 9.119 9.894 ( -6.645 4.808 1.471) 8.332 10.107 ( 6.046 8.152 0.391) 10.157 10.266 ( -0.912 8.494 -1.425) 8.661 10.342 ( 3.477 8.982 -3.690) 10.314 10.579 ( -0.502 13.201 2.928) 13.531 10.731 ( 0.041 3.892 0.574) 3.934 11.049 ( -0.101 -0.026 -0.021) 0.107 11.345 ( 0.510 0.871 -2.680) 2.864 11.559 ( -9.413 0.816 0.210) 9.451 11.997 ( 2.345 -3.814 6.941) 8.260 12.375 ( -5.959 -10.287 -6.179) 13.398 13.955 ( 2.195 3.685 -1.476) 4.536 14.328 ( 1.177 1.327 4.291) 4.643 14.496 ( -1.326 -2.166 -1.688) 3.049 14.609 ( -0.566 -4.321 4.474) 6.245 14.654 ( -1.506 0.425 -3.319) 3.670 14.912 ( 6.782 -0.282 2.324) 7.175 15.046 ( -4.234 -1.975 0.372) 4.687 15.150 ( -2.654 2.875 -5.533) 6.777 15.365 ( 6.188 1.575 -0.179) 6.388 15.530 ( 2.562 -2.448 1.592) 3.885 15.900 ( -1.703 2.787 2.521) 4.126 16.062 ( -0.319 -4.719 -2.434) 5.319 25.015 ( -0.450 0.591 0.175) 0.763 25.211 ( -0.583 0.914 0.442) 1.170 25.244 ( -0.455 1.157 -0.455) 1.324 25.359 ( -1.303 0.759 -0.128) 1.514 25.398 ( 2.342 1.675 -0.114) 2.882 25.977 ( 0.133 -3.167 0.384) 3.193 26.147 ( -3.295 0.033 0.005) 3.296 26.367 ( 4.532 -5.334 -0.595) 7.024 26.519 ( -5.821 -2.776 0.023) 6.448 27.021 ( 3.530 -1.487 1.235) 4.024 27.495 ( 16.491 3.652 -2.427) 17.064 28.606 ( 3.247 -2.270 3.385) 5.211 29.142 ( -0.566 -0.501 -1.957) 2.098 29.247 ( -2.698 -1.371 -0.320) 3.044 29.519 ( -6.378 0.870 -0.493) 6.456 29.900 ( -8.992 5.632 0.852) 10.644 ======================= Grid point 17 (12/138) ======================= q-point: (-0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( -6.838 -6.606 -1.693) 9.657 1.656 ( -4.911 -4.011 2.054) 6.665 2.357 ( 3.471 0.835 -2.393) 4.298 2.614 ( 0.830 2.307 1.295) 2.773 2.706 ( 9.818 10.504 -0.028) 14.378 2.887 ( -2.038 1.604 1.826) 3.172 3.067 ( 3.116 1.308 -1.207) 3.589 3.219 ( -1.898 -4.382 -2.441) 5.363 3.340 ( 5.355 -1.224 4.295) 6.973 3.366 ( -2.974 4.756 -2.808) 6.272 3.426 ( -1.675 1.436 -1.923) 2.926 3.498 ( 4.069 3.366 2.735) 5.947 3.686 ( -1.016 2.716 -4.821) 5.626 3.727 ( 1.608 -2.481 2.485) 3.862 3.999 ( 2.958 2.478 0.368) 3.876 4.065 ( 6.089 -5.349 1.927) 8.331 4.147 ( 0.206 -2.140 3.094) 3.768 4.261 ( 5.908 4.403 -1.254) 7.474 4.888 ( 9.938 8.235 -0.758) 12.929 5.004 ( 2.412 1.272 0.396) 2.755 5.105 ( 0.262 0.930 1.004) 1.393 5.308 ( 3.275 5.606 0.350) 6.502 5.374 ( 10.233 4.956 1.372) 11.452 5.458 ( 2.167 3.252 -3.511) 5.253 5.532 ( 15.370 7.713 -2.106) 17.325 5.744 ( -6.385 2.850 -2.130) 7.310 5.949 ( 7.464 -2.447 2.895) 8.371 6.309 ( -1.873 0.336 -2.947) 3.508 6.445 ( -0.849 -1.529 4.067) 4.427 6.614 ( -5.367 3.113 3.790) 7.271 6.618 ( 2.651 -7.899 -1.506) 8.467 6.751 ( -0.886 3.948 -2.542) 4.778 6.991 ( -2.477 -5.273 -1.023) 5.915 7.097 ( -5.526 6.125 1.102) 8.323 7.162 ( -1.639 0.512 -4.754) 5.054 7.244 ( -1.513 0.889 5.884) 6.140 7.394 ( 3.649 0.701 -1.559) 4.029 7.448 ( 0.338 -0.815 -1.217) 1.504 7.689 ( -2.072 -6.654 0.094) 6.970 7.899 ( -5.577 -3.583 2.070) 6.944 8.107 ( -9.955 2.186 -2.569) 10.511 8.201 ( -8.067 -4.318 1.821) 9.330 8.700 ( -0.030 4.169 -0.007) 4.170 8.863 ( -6.747 -7.134 -0.004) 9.819 9.658 ( -7.134 -1.796 0.695) 7.390 9.822 ( 0.573 -0.063 0.723) 0.924 10.066 ( 10.938 5.644 -2.669) 12.594 10.177 ( 5.820 2.181 -0.149) 6.217 10.367 ( 12.025 3.269 2.086) 12.634 10.417 ( 3.664 3.833 2.071) 5.693 10.727 ( 4.066 -0.809 -3.343) 5.326 11.057 ( -0.032 -1.236 1.735) 2.131 11.349 ( 2.866 0.591 0.251) 2.937 11.488 ( -8.005 -3.126 -3.442) 9.257 12.038 ( -1.180 -0.123 2.230) 2.526 12.439 ( -8.501 -5.625 0.013) 10.194 13.940 ( 4.791 2.032 -0.960) 5.291 14.314 ( -0.052 1.142 2.491) 2.741 14.524 ( -1.460 -2.312 -2.751) 3.879 14.609 ( -4.206 0.491 -4.858) 6.445 14.668 ( 0.279 -1.767 5.734) 6.007 14.963 ( 3.285 3.557 0.433) 4.861 15.037 ( 0.650 -2.894 2.894) 4.143 15.111 ( -2.629 -1.293 -3.489) 4.555 15.382 ( 5.897 3.232 0.091) 6.725 15.582 ( 3.288 0.229 0.081) 3.297 15.841 ( -3.213 0.906 0.107) 3.340 16.094 ( -3.540 -1.319 0.020) 3.778 25.019 ( 1.519 -0.364 0.224) 1.578 25.197 ( -0.292 0.216 -0.934) 1.002 25.230 ( 0.383 0.274 0.725) 0.864 25.346 ( -1.705 -0.946 -0.141) 1.955 25.403 ( 4.260 1.681 0.003) 4.580 26.017 ( 0.602 -1.061 -0.026) 1.221 26.100 ( -5.090 0.633 0.359) 5.142 26.452 ( -2.445 -3.158 -0.207) 4.000 26.508 ( -1.597 -0.389 -0.051) 1.645 27.031 ( -1.582 1.434 0.327) 2.160 27.549 ( 14.168 7.523 -0.480) 16.049 28.614 ( -3.240 1.949 -0.133) 3.783 29.148 ( -1.153 -0.086 1.123) 1.612 29.258 ( -0.739 -1.962 -0.270) 2.114 29.500 ( 0.726 -4.208 -0.676) 4.323 29.819 ( -3.363 -2.303 0.146) 4.079 ======================= Grid point 19 (13/138) ======================= q-point: (-0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( -4.035 -6.061 1.954) 7.539 1.704 ( -2.281 -5.738 -0.351) 6.185 2.298 ( -0.346 7.675 -5.901) 9.687 2.456 ( -5.337 12.366 4.278) 14.132 2.629 ( 7.873 9.481 -0.704) 12.344 2.831 ( -1.716 2.967 4.370) 5.554 2.984 ( -3.640 6.416 -1.037) 7.449 3.193 ( -5.787 10.253 -2.948) 12.137 3.285 ( -0.959 -0.860 -1.335) 1.855 3.315 ( -5.154 6.011 -3.733) 8.754 3.392 ( 3.866 -0.532 2.072) 4.419 3.474 ( 4.270 2.216 0.976) 4.909 3.690 ( 1.138 -2.148 -0.939) 2.606 3.768 ( 0.921 -0.203 2.126) 2.326 4.026 ( 6.889 1.493 1.462) 7.199 4.169 ( 3.695 -1.877 0.203) 4.150 4.208 ( 7.933 7.754 -2.614) 11.398 4.265 ( 2.520 -5.645 6.609) 9.050 4.813 ( 2.445 8.044 -0.690) 8.435 4.963 ( 0.598 5.569 -4.182) 6.990 5.083 ( 1.636 3.878 2.731) 5.018 5.176 ( 0.599 10.867 0.360) 10.890 5.338 ( 3.548 7.121 0.145) 7.957 5.428 ( 9.915 7.212 1.711) 12.379 5.548 ( 2.983 4.314 -9.142) 10.539 5.612 ( -2.616 4.435 1.530) 5.371 6.011 ( 5.115 4.068 -0.784) 6.582 6.219 ( -5.543 7.978 0.882) 9.755 6.284 ( -11.586 12.652 -1.262) 17.202 6.448 ( -5.059 10.356 4.643) 12.425 6.621 ( -9.643 5.811 0.891) 11.294 6.697 ( -3.805 -1.332 -0.508) 4.064 6.849 ( -8.958 12.938 1.268) 15.788 6.913 ( -8.794 3.998 2.484) 9.974 7.107 ( -2.653 2.732 -4.133) 5.620 7.216 ( -2.208 1.642 -1.943) 3.369 7.353 ( 0.761 0.753 1.868) 2.153 7.436 ( -0.702 9.243 1.216) 9.349 7.538 ( -14.610 10.705 -0.779) 18.129 7.769 ( -14.221 20.545 -2.876) 25.151 7.831 ( -1.987 4.637 -1.617) 5.298 8.195 ( -5.735 -4.584 4.635) 8.683 8.827 ( 4.088 -11.576 2.828) 12.598 9.008 ( -1.024 -13.600 -2.949) 13.954 9.698 ( -4.023 -9.247 -0.208) 10.086 9.912 ( 2.471 -7.915 0.404) 8.302 10.150 ( 10.525 -2.697 -2.058) 11.058 10.276 ( 7.856 0.576 1.573) 8.033 10.344 ( 11.636 -1.536 1.023) 11.782 10.595 ( 9.114 -7.424 2.048) 11.932 10.814 ( 7.211 -2.476 -4.438) 8.822 11.106 ( 1.638 -4.094 2.666) 5.153 11.369 ( 5.116 2.130 4.642) 7.229 11.521 ( -5.515 -8.576 -9.277) 13.785 11.978 ( -3.828 4.331 -1.430) 5.955 12.396 ( -10.570 -0.207 5.831) 12.074 13.980 ( 6.714 -0.114 -0.575) 6.740 14.294 ( -0.630 0.584 1.091) 1.389 14.511 ( -1.864 2.381 -5.890) 6.621 14.580 ( -2.352 -1.633 -2.365) 3.714 14.682 ( -1.209 -0.593 4.148) 4.361 14.911 ( 2.003 4.332 2.573) 5.423 15.061 ( -4.566 -1.151 -3.328) 5.767 15.173 ( 3.819 -4.394 4.137) 7.142 15.376 ( 6.259 4.296 -0.049) 7.591 15.568 ( 1.807 4.466 -1.001) 4.921 15.823 ( -3.890 -2.741 -2.692) 5.468 16.041 ( -5.610 2.031 2.694) 6.546 25.050 ( 2.446 -0.809 0.351) 2.600 25.202 ( 0.322 -0.874 -1.811) 2.036 25.245 ( 0.388 -1.546 1.225) 2.011 25.359 ( -0.885 -2.189 0.116) 2.364 25.424 ( 5.908 1.644 -0.055) 6.133 26.009 ( -4.206 1.366 -1.433) 4.648 26.045 ( -2.125 0.242 1.816) 2.806 26.434 ( -6.756 -0.492 0.014) 6.774 26.494 ( 0.907 1.938 -0.064) 2.140 26.946 ( -5.671 4.332 -0.267) 7.141 27.514 ( 11.766 11.934 1.064) 16.792 28.495 ( -8.167 4.459 -2.598) 9.661 29.139 ( -0.522 -0.774 2.245) 2.431 29.293 ( 0.734 -2.123 0.031) 2.247 29.644 ( 5.961 -6.242 -0.009) 8.631 29.910 ( 0.904 -10.854 -0.661) 10.911 ======================= Grid point 20 (14/138) ======================= q-point: (-0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( -0.946 -3.693 3.760) 5.355 1.793 ( -0.043 -5.571 -2.267) 6.015 2.100 ( -5.147 13.846 -5.857) 15.891 2.184 ( -0.142 13.743 5.564) 14.827 2.514 ( 3.536 10.851 -0.300) 11.417 2.729 ( -2.649 7.511 4.283) 9.043 2.830 ( -4.655 7.011 -5.336) 9.964 2.932 ( -7.469 12.901 -1.287) 14.962 3.107 ( -8.212 5.949 -2.504) 10.445 3.282 ( 0.405 4.816 2.430) 5.410 3.430 ( 0.310 -0.214 -0.174) 0.415 3.499 ( 3.027 -0.479 1.830) 3.570 3.699 ( 2.799 5.472 -0.844) 6.204 3.781 ( 1.292 -1.519 1.021) 2.240 4.029 ( 3.877 5.538 1.904) 7.023 4.105 ( 4.176 8.253 -2.529) 9.589 4.267 ( 7.233 -0.227 2.733) 7.736 4.301 ( -1.078 2.890 2.451) 3.940 4.667 ( -4.976 7.757 -1.415) 9.324 4.838 ( -1.994 8.694 -5.032) 10.241 4.963 ( 2.446 11.638 -0.447) 11.901 5.013 ( 0.599 9.545 4.065) 10.392 5.220 ( -0.347 8.604 -0.146) 8.612 5.353 ( 4.048 11.745 -0.143) 12.424 5.430 ( -1.298 7.449 -2.950) 8.117 5.562 ( -0.220 5.266 -1.224) 5.411 5.763 ( -17.753 21.845 -0.024) 28.149 5.929 ( 2.197 10.381 -0.509) 10.623 6.028 ( -10.510 12.688 -3.283) 16.799 6.194 ( -6.816 12.775 3.295) 14.850 6.307 ( -9.025 8.886 2.917) 12.997 6.511 ( -10.776 15.517 1.632) 18.963 6.657 ( -4.191 9.947 1.787) 10.941 6.799 ( -2.900 6.645 0.008) 7.250 6.953 ( -16.533 12.468 -2.414) 20.847 7.061 ( -0.736 8.432 -0.314) 8.470 7.195 ( -2.836 6.626 -3.092) 7.843 7.260 ( -3.930 16.220 -1.474) 16.755 7.316 ( -4.099 3.856 1.858) 5.926 7.362 ( -0.807 9.832 2.361) 10.144 7.813 ( 3.745 -2.966 -1.155) 4.915 8.221 ( -5.170 -4.355 2.142) 7.091 9.065 ( 6.499 -10.294 1.404) 12.255 9.259 ( -0.782 -16.823 -1.583) 16.916 9.855 ( -1.511 -11.371 -1.984) 11.642 10.040 ( 1.781 -2.456 0.021) 3.034 10.274 ( 3.581 -7.401 2.949) 8.734 10.441 ( 3.408 -11.661 0.074) 12.149 10.585 ( 14.824 -8.604 -0.654) 17.152 10.787 ( 8.761 -5.495 3.986) 11.083 10.929 ( 7.060 -2.621 -3.111) 8.148 11.225 ( 2.068 -8.104 1.861) 8.568 11.383 ( 7.815 3.360 3.552) 9.219 11.637 ( -5.508 -10.909 -12.608) 17.558 11.826 ( -5.228 8.365 -3.226) 10.379 12.250 ( -11.163 4.755 8.993) 15.102 14.065 ( 6.859 -1.821 -0.283) 7.102 14.289 ( 1.039 0.439 0.967) 1.486 14.456 ( -2.158 0.479 -2.326) 3.209 14.584 ( -0.668 -0.022 -5.794) 5.832 14.680 ( 0.145 -0.124 3.246) 3.252 14.864 ( 1.891 3.526 4.203) 5.803 15.017 ( -7.434 -0.857 -3.052) 8.081 15.258 ( 5.344 1.190 3.020) 6.252 15.377 ( 5.736 1.962 2.635) 6.610 15.488 ( -1.077 4.650 -4.116) 6.303 15.811 ( -7.158 0.386 -1.168) 7.263 15.960 ( -2.520 0.450 2.146) 3.341 25.088 ( 1.727 -1.223 0.688) 2.226 25.229 ( 1.018 -1.616 -2.571) 3.203 25.287 ( -0.132 -3.184 1.708) 3.616 25.401 ( 0.364 -3.017 0.159) 3.043 25.463 ( 7.743 1.598 -0.229) 7.910 25.908 ( -9.862 1.990 -0.386) 10.068 26.033 ( 3.117 2.484 0.893) 4.085 26.348 ( -4.698 3.689 -0.054) 5.974 26.467 ( -2.054 0.525 -0.051) 2.120 26.786 ( -8.352 6.407 -0.449) 10.536 27.370 ( 8.185 16.870 2.626) 18.933 28.347 ( -7.667 3.220 -3.975) 9.217 29.166 ( 0.440 -2.135 1.571) 2.687 29.343 ( 1.666 -2.455 0.071) 2.968 29.774 ( 5.018 -3.462 0.649) 6.131 30.195 ( 4.679 -18.651 -0.717) 19.242 ======================= Grid point 21 (15/138) ======================= q-point: (-0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( -0.757 11.312 2.300) 11.568 1.676 ( -4.889 20.282 -1.297) 20.903 1.967 ( 1.705 -5.177 -0.870) 5.520 2.023 ( 4.832 8.478 0.663) 9.781 2.350 ( -0.653 9.910 0.260) 9.935 2.571 ( -2.187 9.519 1.357) 9.861 2.605 ( -4.045 12.478 -1.553) 13.209 2.681 ( -9.472 5.286 -3.032) 11.263 2.941 ( -3.813 17.990 3.288) 18.682 3.037 ( -9.078 13.800 -2.288) 16.676 3.389 ( -1.244 2.136 0.637) 2.553 3.538 ( 2.413 -1.161 2.125) 3.418 3.658 ( 8.516 3.519 -2.095) 9.450 3.800 ( 0.785 2.131 -0.840) 2.422 3.922 ( -0.996 7.471 1.647) 7.715 4.026 ( 4.691 6.705 -1.348) 8.293 4.184 ( -2.955 4.216 0.741) 5.202 4.331 ( 2.996 3.317 1.053) 4.592 4.443 ( -7.852 9.434 2.359) 12.499 4.621 ( 0.010 14.287 0.315) 14.291 4.796 ( -5.403 12.705 0.116) 13.807 4.850 ( 2.642 8.718 -6.216) 11.029 5.021 ( -1.899 24.165 -1.761) 24.304 5.054 ( -7.153 11.418 3.980) 14.049 5.245 ( -4.200 19.590 -3.207) 20.291 5.278 ( -6.995 11.585 4.298) 14.200 5.386 ( -5.623 8.004 -0.927) 9.826 5.769 ( -2.229 8.067 -2.743) 8.807 5.799 ( 4.669 8.275 1.992) 9.707 6.039 ( -4.699 9.909 0.950) 11.007 6.056 ( -8.768 11.472 -4.344) 15.078 6.107 ( -2.458 15.627 4.119) 16.347 6.413 ( -4.995 12.311 0.133) 13.286 6.530 ( 0.068 19.691 -1.198) 19.727 6.590 ( -6.904 14.358 0.147) 15.932 6.814 ( -1.612 16.714 0.402) 16.797 7.013 ( -1.272 9.159 -0.974) 9.298 7.199 ( -0.535 -0.693 0.893) 1.250 7.223 ( -1.856 4.500 2.344) 5.403 7.344 ( 0.287 -7.441 -1.090) 7.526 7.982 ( 4.749 -11.272 0.473) 12.240 8.253 ( -3.592 -5.129 0.059) 6.262 9.264 ( 6.873 -4.589 0.770) 8.301 9.547 ( -1.319 -18.886 -0.818) 18.950 10.009 ( -0.309 -7.443 -2.299) 7.796 10.063 ( -0.974 -1.637 0.888) 2.102 10.477 ( 4.573 -9.962 0.904) 10.998 10.623 ( -4.431 -11.185 0.326) 12.035 10.845 ( 9.790 -6.724 3.248) 12.313 10.937 ( 3.884 -3.698 2.270) 5.824 11.019 ( 3.483 -1.473 -1.628) 4.117 11.406 ( 10.502 4.774 3.787) 12.142 11.441 ( 8.957 -9.458 2.203) 13.211 11.614 ( -4.575 9.496 -5.100) 11.709 11.771 ( -11.679 -17.066 -13.857) 24.893 12.048 ( -7.620 7.906 7.170) 13.114 14.153 ( 2.706 -2.466 -0.436) 3.687 14.301 ( 5.544 1.006 -0.272) 5.641 14.458 ( -3.191 -2.478 4.202) 5.829 14.563 ( 0.488 2.034 -5.502) 5.886 14.696 ( 1.150 -0.760 1.290) 1.887 14.832 ( 1.752 2.794 1.994) 3.854 14.957 ( -7.056 -0.983 -0.824) 7.172 15.233 ( 5.056 7.177 -0.249) 8.783 15.361 ( 2.757 6.302 1.277) 6.996 15.441 ( -3.435 -1.161 -0.073) 3.627 15.691 ( -5.578 2.638 0.360) 6.181 15.992 ( 0.413 -4.020 -0.285) 4.051 25.128 ( 0.802 -2.321 0.603) 2.529 25.271 ( 0.775 -2.216 -2.016) 3.095 25.344 ( -0.036 -3.766 1.500) 4.054 25.456 ( 0.456 -2.611 0.019) 2.651 25.514 ( 8.489 1.985 -0.497) 8.733 25.755 ( -10.317 4.602 0.178) 11.298 26.014 ( 5.458 5.386 0.338) 7.676 26.251 ( -2.243 2.479 0.218) 3.350 26.436 ( -3.356 0.267 -0.114) 3.369 26.586 ( -9.173 6.814 -0.091) 11.427 27.121 ( 4.324 19.599 2.490) 20.224 28.251 ( -4.187 1.465 -3.971) 5.954 29.210 ( 0.453 -2.365 1.084) 2.641 29.403 ( 1.491 -2.827 -0.016) 3.196 29.871 ( 3.886 -3.073 0.483) 4.978 30.577 ( 4.109 -21.034 -0.315) 21.434 ======================= Grid point 22 (16/138) ======================= q-point: (-0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( -0.000 30.466 -0.000) 30.466 1.245 ( -0.000 30.146 -0.000) 30.146 1.902 ( -0.000 16.635 -0.000) 16.635 2.088 ( 0.000 -5.898 0.000) 5.898 2.191 ( -0.000 42.469 -0.000) 42.469 2.211 ( -0.000 5.046 -0.000) 5.046 2.308 ( -0.000 14.276 -0.000) 14.276 2.534 ( -0.000 1.131 -0.000) 1.131 2.652 ( 0.000 -2.163 0.000) 2.163 2.899 ( -0.000 5.701 -0.000) 5.701 3.365 ( -0.000 0.582 -0.000) 0.582 3.587 ( 0.000 -2.419 0.000) 2.419 3.700 ( -0.000 8.399 -0.000) 8.399 3.708 ( -0.000 0.034 -0.000) 0.034 3.768 ( -0.000 7.803 -0.000) 7.803 3.981 ( -0.000 2.550 -0.000) 2.550 4.065 ( -0.000 6.851 -0.000) 6.851 4.164 ( -0.000 8.807 -0.000) 8.807 4.347 ( -0.000 7.705 -0.000) 7.705 4.414 ( -0.000 18.071 -0.000) 18.071 4.446 ( -0.000 8.134 -0.000) 8.134 4.678 ( -0.000 17.553 -0.000) 17.553 4.688 ( -0.000 9.795 -0.000) 9.795 4.798 ( -0.000 11.934 -0.000) 11.934 4.926 ( -0.000 15.215 -0.000) 15.215 5.089 ( -0.000 8.542 -0.000) 8.542 5.243 ( -0.000 7.202 -0.000) 7.202 5.624 ( -0.000 17.419 -0.000) 17.419 5.624 ( -0.000 7.442 -0.000) 7.442 5.795 ( -0.000 15.038 -0.000) 15.038 5.833 ( 0.000 -0.350 0.000) 0.350 6.009 ( -0.000 3.489 -0.000) 3.489 6.145 ( -0.000 16.706 -0.000) 16.706 6.306 ( -0.000 6.117 -0.000) 6.117 6.340 ( -0.000 13.001 -0.000) 13.001 6.578 ( -0.000 9.530 -0.000) 9.530 6.822 ( -0.000 12.713 -0.000) 12.713 7.095 ( -0.000 4.449 -0.000) 4.449 7.301 ( 0.000 -6.273 0.000) 6.273 7.475 ( 0.000 -6.763 0.000) 6.763 8.252 ( 0.000 -17.062 0.000) 17.062 8.332 ( 0.000 -6.728 0.000) 6.728 9.318 ( -0.000 2.932 -0.000) 2.932 9.829 ( 0.000 -13.177 0.000) 13.177 10.087 ( 0.000 -2.030 0.000) 2.030 10.107 ( 0.000 -5.630 0.000) 5.630 10.642 ( 0.000 -6.724 0.000) 6.724 10.769 ( 0.000 -9.585 0.000) 9.585 10.982 ( 0.000 -2.019 0.000) 2.019 10.998 ( 0.000 -2.273 0.000) 2.273 11.034 ( 0.000 -0.009 0.000) 0.009 11.343 ( -0.000 7.895 -0.000) 7.895 11.467 ( -0.000 2.888 -0.000) 2.888 11.596 ( 0.000 -2.109 0.000) 2.109 11.861 ( -0.000 9.952 -0.000) 9.952 12.106 ( 0.000 -27.339 0.000) 27.339 14.196 ( 0.000 -2.057 0.000) 2.057 14.355 ( 0.000 -1.272 0.000) 1.272 14.454 ( 0.000 -0.001 0.000) 0.001 14.535 ( -0.000 1.227 -0.000) 1.227 14.706 ( -0.000 1.086 -0.000) 1.086 14.779 ( -0.000 4.632 -0.000) 4.632 14.940 ( 0.000 -0.638 0.000) 0.638 15.124 ( -0.000 7.646 -0.000) 7.646 15.272 ( -0.000 5.703 -0.000) 5.703 15.399 ( -0.000 2.050 -0.000) 2.050 15.692 ( 0.000 -4.449 0.000) 4.449 16.076 ( 0.000 -5.294 0.000) 5.294 25.182 ( 0.000 -3.639 0.000) 3.639 25.309 ( 0.000 -1.364 0.000) 1.364 25.417 ( 0.000 -4.891 0.000) 4.891 25.482 ( -0.000 0.210 -0.000) 0.210 25.530 ( -0.000 3.199 -0.000) 3.199 25.590 ( -0.000 5.775 -0.000) 5.775 25.935 ( -0.000 7.195 -0.000) 7.195 26.256 ( 0.000 -1.835 0.000) 1.835 26.378 ( -0.000 2.766 -0.000) 2.766 26.431 ( -0.000 4.606 -0.000) 4.606 26.830 ( -0.000 17.029 -0.000) 17.029 28.212 ( -0.000 0.727 -0.000) 0.727 29.249 ( 0.000 -1.936 0.000) 1.936 29.458 ( 0.000 -2.653 0.000) 2.653 29.944 ( 0.000 -2.774 0.000) 2.774 30.940 ( 0.000 -18.995 0.000) 18.995 ======================= Grid point 25 (17/138) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( 22.334 -0.000 8.683) 23.963 1.212 ( 23.591 -0.000 -6.878) 24.573 1.762 ( 9.971 -0.000 11.446) 15.180 1.930 ( -4.782 0.000 0.130) 4.784 2.179 ( 12.838 -0.000 -5.697) 14.046 2.423 ( 15.864 -0.000 -9.830) 18.663 2.566 ( 6.781 -0.000 8.733) 11.056 2.680 ( 7.319 -0.000 9.472) 11.970 3.116 ( 6.927 -0.000 -10.763) 12.799 3.196 ( 16.100 -0.000 -0.469) 16.107 3.320 ( 4.734 -0.000 0.118) 4.735 3.502 ( -2.145 0.000 -0.641) 2.238 3.558 ( 4.066 -0.000 1.673) 4.397 3.822 ( 3.736 -0.000 3.413) 5.060 3.922 ( 3.654 -0.000 -6.527) 7.481 4.087 ( 0.623 -0.000 -6.922) 6.950 4.148 ( 9.086 -0.000 -1.843) 9.271 4.287 ( 6.159 -0.000 -0.171) 6.162 4.304 ( 1.856 -0.000 0.370) 1.893 4.519 ( 22.638 -0.000 0.610) 22.646 4.608 ( 27.932 -0.000 -6.369) 28.649 4.746 ( 13.940 -0.000 12.141) 18.486 4.778 ( 18.518 -0.000 1.357) 18.568 4.973 ( 8.488 -0.000 -5.155) 9.931 5.263 ( 3.427 -0.000 5.681) 6.634 5.356 ( 18.926 -0.000 -3.190) 19.193 5.368 ( 20.829 -0.000 4.402) 21.289 5.698 ( 10.965 -0.000 -7.608) 13.346 5.735 ( 10.941 -0.000 1.784) 11.085 5.838 ( 4.783 -0.000 -7.847) 9.190 5.873 ( 2.639 -0.000 6.785) 7.281 5.968 ( 21.611 -0.000 11.271) 24.373 6.187 ( 3.642 -0.000 -10.368) 10.989 6.255 ( 7.210 -0.000 7.476) 10.386 6.329 ( 16.178 -0.000 2.823) 16.423 6.518 ( 5.210 -0.000 -21.062) 21.697 6.801 ( 15.616 -0.000 -13.083) 20.372 7.119 ( 8.464 -0.000 32.600) 33.681 7.435 ( -4.125 0.000 8.741) 9.666 7.541 ( 5.611 -0.000 -2.944) 6.336 8.258 ( -8.982 0.000 -1.880) 9.176 8.333 ( -13.324 0.000 -6.210) 14.700 9.222 ( -3.583 0.000 -7.627) 8.427 9.287 ( -5.136 0.000 6.289) 8.119 10.081 ( -5.151 0.000 -4.032) 6.541 10.440 ( 0.977 -0.000 11.022) 11.065 10.587 ( -4.722 0.000 -3.475) 5.863 10.671 ( -7.459 0.000 3.057) 8.061 10.970 ( 0.589 -0.000 2.698) 2.762 11.063 ( 2.363 -0.000 -4.566) 5.141 11.116 ( 1.270 -0.000 1.753) 2.165 11.203 ( -10.331 0.000 2.568) 10.645 11.444 ( 0.819 -0.000 -4.690) 4.761 11.660 ( -11.620 0.000 -2.785) 11.949 11.773 ( 3.881 -0.000 8.461) 9.309 12.040 ( -18.614 0.000 -22.057) 28.862 14.245 ( -7.282 0.000 -0.659) 7.311 14.374 ( -1.170 0.000 2.842) 3.074 14.377 ( 2.477 -0.000 5.111) 5.679 14.546 ( 3.792 -0.000 3.311) 5.034 14.763 ( 0.975 -0.000 -0.567) 1.128 14.849 ( -0.200 0.000 0.561) 0.596 14.967 ( 10.264 -0.000 -0.400) 10.272 15.077 ( 2.835 -0.000 -2.549) 3.812 15.098 ( 0.560 -0.000 -4.622) 4.656 15.455 ( 1.542 -0.000 5.594) 5.803 15.837 ( 1.007 -0.000 2.828) 3.002 15.949 ( -2.577 0.000 -0.565) 2.639 25.158 ( -2.867 0.000 1.979) 3.484 25.227 ( -2.627 0.000 -1.512) 3.031 25.348 ( -1.858 0.000 -1.430) 2.345 25.411 ( -2.519 0.000 -0.714) 2.618 25.503 ( 1.495 -0.000 1.242) 1.943 25.616 ( 1.182 -0.000 4.264) 4.425 25.953 ( 0.578 -0.000 -8.528) 8.548 26.109 ( -3.447 0.000 3.225) 4.720 26.488 ( 8.344 -0.000 -1.313) 8.447 26.553 ( 17.640 -0.000 3.495) 17.982 27.188 ( 16.734 -0.000 -7.610) 18.383 28.609 ( 3.495 -0.000 24.333) 24.583 29.232 ( -3.357 0.000 -22.329) 22.580 29.382 ( -5.871 0.000 0.520) 5.894 29.393 ( -5.377 0.000 3.538) 6.436 30.826 ( -20.960 0.000 1.489) 21.013 ======================= Grid point 26 (18/138) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( 1.321 0.127 -9.487) 9.579 1.464 ( 1.631 -8.298 0.163) 8.458 1.813 ( 15.737 -1.348 12.490) 20.136 2.085 ( 6.935 -8.895 3.462) 11.798 2.350 ( 9.205 -8.202 -4.683) 13.188 2.647 ( 10.650 -5.979 4.435) 12.994 2.693 ( 13.243 -9.549 -3.465) 16.690 2.812 ( 8.615 -5.283 8.860) 13.440 3.136 ( 2.429 0.933 -10.005) 10.338 3.233 ( 1.171 3.880 2.561) 4.794 3.448 ( 5.218 -5.442 1.590) 7.705 3.494 ( 7.441 3.785 -4.055) 9.281 3.621 ( 6.918 -0.161 1.360) 7.052 3.810 ( 0.544 3.132 -0.372) 3.200 3.882 ( 2.750 3.583 -1.238) 4.683 4.142 ( 3.258 -2.841 -8.169) 9.242 4.187 ( 2.449 1.434 -0.297) 2.853 4.249 ( 0.762 1.168 1.566) 2.097 4.525 ( 6.087 -9.986 -3.018) 12.078 4.707 ( 22.979 -0.914 1.402) 23.040 4.882 ( 14.666 -8.959 -1.777) 17.277 4.972 ( 9.732 -4.495 6.792) 12.690 5.044 ( 14.584 -8.876 5.073) 17.810 5.221 ( 17.948 -14.302 -7.983) 24.298 5.409 ( 14.551 7.317 -1.146) 16.327 5.437 ( 15.143 -7.161 3.099) 17.035 5.613 ( 17.863 -6.143 5.629) 19.710 5.770 ( 14.833 7.040 -1.326) 16.472 5.792 ( 12.133 0.787 -1.040) 12.203 5.925 ( 8.051 -3.970 -2.769) 9.394 6.030 ( 8.916 -7.925 2.898) 12.276 6.164 ( 9.930 -0.109 6.269) 11.743 6.279 ( 6.763 2.273 0.303) 7.141 6.372 ( 23.403 -5.241 -0.353) 23.986 6.427 ( 6.771 -8.750 -9.447) 14.548 6.848 ( 13.769 -15.472 -10.180) 23.078 7.020 ( 18.735 -5.875 -9.056) 21.622 7.154 ( 0.731 0.664 17.687) 17.714 7.425 ( 6.218 0.982 12.153) 13.686 7.577 ( 6.270 2.247 -0.847) 6.714 8.059 ( -7.534 9.247 -4.481) 12.742 8.263 ( -9.724 -1.500 -1.998) 10.040 9.136 ( -2.685 1.872 -4.197) 5.323 9.278 ( -15.396 -3.573 4.549) 16.447 10.010 ( -6.072 1.669 -1.978) 6.601 10.333 ( -1.447 9.379 6.027) 11.242 10.515 ( -12.349 5.933 2.080) 13.857 10.585 ( -5.106 0.891 -4.300) 6.734 10.896 ( -6.360 2.782 1.848) 7.184 10.999 ( -5.641 8.263 3.852) 10.720 11.071 ( 3.843 1.946 -0.837) 4.388 11.269 ( -4.580 -12.613 0.909) 13.450 11.352 ( 0.638 8.640 -3.386) 9.302 11.621 ( -6.187 3.168 -8.644) 11.091 11.782 ( -2.365 -4.495 1.124) 5.202 11.910 ( -5.693 -1.382 -2.639) 6.425 14.141 ( -6.442 2.732 -1.526) 7.162 14.372 ( -0.452 0.145 4.038) 4.066 14.401 ( 1.755 -1.514 3.489) 4.189 14.576 ( 1.774 1.262 -0.230) 2.189 14.725 ( 1.320 3.859 -1.458) 4.331 14.917 ( -1.111 -5.617 0.787) 5.780 14.987 ( 5.934 4.809 -2.555) 8.053 15.125 ( 0.903 -2.803 -4.185) 5.117 15.184 ( 5.597 -5.478 -0.257) 7.836 15.463 ( 0.335 0.326 3.457) 3.488 15.837 ( 2.616 0.585 2.312) 3.540 15.960 ( -1.004 -1.992 0.875) 2.396 25.114 ( -2.661 1.952 0.996) 3.447 25.217 ( -2.271 -1.498 -0.745) 2.820 25.310 ( -0.683 1.846 -0.324) 1.995 25.398 ( -2.761 -0.879 -0.523) 2.945 25.512 ( 0.691 1.155 0.753) 1.542 25.703 ( 0.057 -8.886 2.328) 9.186 25.896 ( 1.336 2.919 -2.814) 4.268 26.171 ( -7.566 -8.216 -0.447) 11.178 26.513 ( 11.546 5.418 -0.153) 12.755 26.778 ( 14.448 -4.555 2.720) 15.392 27.360 ( 19.936 -0.122 -6.621) 21.007 28.588 ( 5.465 5.533 13.675) 15.732 29.180 ( -3.762 0.782 -10.929) 11.585 29.302 ( -5.359 1.379 1.220) 5.667 29.432 ( -7.336 -7.120 -0.290) 10.227 30.553 ( -21.315 7.346 1.290) 22.582 ======================= Grid point 27 (19/138) ======================= q-point: ( 0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( -10.427 -1.094 -9.491) 14.142 1.508 ( -9.738 -5.188 3.150) 11.475 2.106 ( 18.339 -7.987 1.533) 20.061 2.278 ( 13.441 -3.867 3.311) 14.373 2.602 ( 7.092 -11.059 -3.129) 13.505 2.848 ( 9.436 -7.905 7.160) 14.240 2.962 ( 7.943 -3.872 9.662) 13.094 3.021 ( 9.797 -4.946 -1.723) 11.109 3.169 ( 4.051 -5.823 -7.163) 10.081 3.182 ( -2.719 -0.303 -0.535) 2.788 3.444 ( 1.720 4.271 -5.341) 7.052 3.587 ( 2.884 -2.376 2.093) 4.283 3.618 ( -1.759 2.781 0.371) 3.311 3.816 ( 5.574 0.196 0.021) 5.577 3.877 ( 4.365 1.275 -0.715) 4.603 4.150 ( 0.865 4.122 1.185) 4.375 4.225 ( 0.133 -2.445 -3.769) 4.494 4.288 ( 7.203 -1.686 -1.529) 7.554 4.722 ( 4.375 -8.871 -3.159) 10.383 4.995 ( 13.777 -9.999 6.676) 18.285 5.065 ( 2.039 -2.553 6.308) 7.104 5.140 ( 8.104 -6.935 -5.436) 11.971 5.310 ( 16.690 4.450 -3.259) 17.578 5.448 ( 22.844 -1.458 4.800) 23.388 5.621 ( 10.757 -14.599 -5.872) 19.061 5.731 ( 10.713 2.492 -2.955) 11.389 5.796 ( 9.153 -7.557 0.030) 11.870 5.891 ( 16.603 -6.007 3.950) 18.093 5.958 ( 13.503 -5.579 5.671) 15.672 6.106 ( 9.764 -4.191 1.698) 10.760 6.227 ( 13.264 0.576 -2.556) 13.521 6.297 ( 6.510 -13.507 -0.339) 14.997 6.429 ( 9.978 -11.500 0.385) 15.230 6.570 ( 7.487 -7.793 -4.406) 11.671 6.815 ( 16.646 -12.263 -3.964) 21.052 7.058 ( -1.133 -0.389 4.785) 4.933 7.188 ( 4.230 -4.295 -3.923) 7.193 7.283 ( 13.585 -4.014 2.522) 14.388 7.548 ( 10.814 0.973 -0.623) 10.876 7.655 ( 14.593 -5.793 6.798) 17.109 7.879 ( 0.074 6.254 -4.467) 7.686 8.185 ( -8.381 -0.280 0.618) 8.409 9.054 ( -9.203 3.526 -4.698) 10.918 9.122 ( -15.528 2.050 4.477) 16.290 9.901 ( -7.591 4.196 0.365) 8.682 10.109 ( -10.276 8.837 2.765) 13.833 10.316 ( -4.501 6.304 3.480) 8.492 10.484 ( -4.378 4.063 -9.477) 11.202 10.751 ( -2.000 11.134 2.652) 11.619 10.826 ( -11.002 2.013 0.526) 11.197 11.051 ( 6.505 7.054 5.903) 11.266 11.197 ( 0.604 9.677 -7.245) 12.103 11.382 ( -11.634 -3.858 -2.676) 12.546 11.497 ( 2.260 0.166 3.712) 4.349 11.899 ( 0.422 -2.430 3.893) 4.609 11.932 ( -5.513 -11.743 -5.080) 13.932 14.054 ( -3.949 1.588 -2.663) 5.021 14.363 ( -0.622 0.317 5.397) 5.441 14.460 ( 2.016 -2.948 1.319) 3.807 14.539 ( -0.804 3.042 -0.061) 3.147 14.682 ( 1.730 2.843 -1.957) 3.860 14.957 ( 1.308 1.006 0.751) 1.813 14.970 ( 1.177 -0.357 -2.838) 3.093 15.200 ( 2.618 -1.722 -2.181) 3.818 15.324 ( 5.622 -4.594 1.080) 7.340 15.455 ( -1.383 -0.868 -0.223) 1.648 15.888 ( 2.641 -3.172 0.598) 4.171 15.969 ( -0.651 0.283 1.839) 1.971 25.058 ( -1.576 1.949 0.407) 2.539 25.220 ( -1.737 -0.990 -0.211) 2.010 25.282 ( 0.368 1.434 -0.163) 1.489 25.376 ( -3.874 -0.166 0.041) 3.877 25.490 ( 2.321 2.623 0.103) 3.504 25.837 ( -0.287 -5.441 0.318) 5.458 25.940 ( -0.688 -8.194 -0.275) 8.227 26.200 ( -9.131 -5.426 -0.611) 10.639 26.542 ( 11.447 4.525 0.058) 12.309 26.956 ( 10.010 -2.390 1.783) 10.445 27.565 ( 21.191 -0.094 -4.965) 21.765 28.573 ( 5.276 2.421 7.531) 9.509 29.141 ( -3.161 -0.349 -4.868) 5.815 29.230 ( -4.866 1.094 0.605) 5.024 29.461 ( -6.885 -4.587 -0.750) 8.308 30.205 ( -19.026 10.067 0.988) 21.548 ======================= Grid point 28 (20/138) ======================= q-point: ( 0.45 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( -11.600 -5.804 -5.342) 14.028 1.500 ( -9.574 -5.368 1.574) 11.089 2.333 ( 10.332 -3.109 -3.340) 11.295 2.506 ( 13.929 -5.651 4.781) 15.774 2.808 ( 5.661 -5.224 -1.769) 7.904 3.004 ( 3.136 0.922 -0.142) 3.272 3.061 ( 7.328 1.273 3.824) 8.363 3.121 ( 6.570 -8.522 7.363) 13.039 3.173 ( -0.645 -0.222 -2.223) 2.325 3.360 ( 1.479 -2.432 -2.285) 3.650 3.444 ( 5.727 -3.883 -5.720) 8.978 3.545 ( -0.798 2.355 -2.300) 3.387 3.614 ( -1.486 -1.893 5.107) 5.646 3.858 ( 0.806 -0.044 -0.903) 1.211 3.912 ( 6.359 0.692 -0.077) 6.397 4.086 ( 0.146 3.471 1.622) 3.834 4.205 ( -2.804 2.506 -0.748) 3.834 4.377 ( 9.678 1.956 -2.242) 10.125 4.902 ( 0.999 -8.424 -1.529) 8.619 5.066 ( -2.201 0.620 5.343) 5.812 5.250 ( 7.020 -3.945 4.184) 9.074 5.319 ( 11.948 0.069 -1.369) 12.027 5.348 ( 17.022 1.967 -6.314) 18.261 5.684 ( 14.454 6.971 2.126) 16.187 5.734 ( 18.005 -0.573 -1.724) 18.096 5.898 ( 2.210 1.089 0.116) 2.466 5.942 ( 16.389 -1.678 -2.849) 16.719 6.127 ( 17.224 -2.536 -0.622) 17.420 6.198 ( 6.989 -9.700 4.638) 12.824 6.292 ( 9.113 -7.088 2.275) 11.767 6.439 ( 1.483 -16.213 -3.754) 16.708 6.639 ( 1.825 -17.376 -0.001) 17.472 6.700 ( 6.108 -8.918 -1.508) 10.913 6.844 ( 7.656 -18.038 -0.450) 19.601 6.976 ( -0.053 -1.719 5.793) 6.043 7.098 ( 1.021 -5.153 -4.551) 6.950 7.261 ( 4.323 0.200 -0.623) 4.372 7.449 ( 6.335 -3.692 2.122) 7.633 7.561 ( 5.236 6.072 -2.698) 8.460 7.780 ( 1.671 1.089 2.750) 3.397 7.966 ( 6.132 -5.597 -1.973) 8.533 8.134 ( -6.078 -2.247 1.637) 6.683 8.841 ( -15.567 4.296 -0.295) 16.151 8.949 ( -8.618 5.558 0.445) 10.264 9.732 ( -9.220 4.807 -0.805) 10.429 9.921 ( -4.962 4.441 2.514) 7.117 10.225 ( 0.602 1.959 1.615) 2.609 10.381 ( 0.506 6.073 -5.750) 8.378 10.535 ( -1.371 11.477 0.626) 11.576 10.716 ( -1.081 2.575 -3.615) 4.568 10.942 ( 8.118 14.328 10.934) 19.767 11.087 ( 0.716 4.079 -3.619) 5.500 11.315 ( -7.164 -1.804 -3.504) 8.176 11.497 ( -3.081 1.882 0.854) 3.710 11.954 ( 1.067 -3.649 8.220) 9.056 12.084 ( -9.878 -13.799 -8.250) 18.870 14.011 ( -0.407 0.955 -2.557) 2.760 14.351 ( -0.750 0.539 5.570) 5.646 14.479 ( -1.763 1.361 -2.034) 3.016 14.531 ( 0.749 -2.902 2.077) 3.646 14.665 ( 1.680 1.144 -1.153) 2.337 14.959 ( 0.432 -0.552 1.494) 1.650 15.002 ( 2.261 -1.173 -3.057) 3.979 15.185 ( -0.180 3.886 -0.661) 3.946 15.429 ( 5.226 -1.193 -1.518) 5.571 15.502 ( 2.355 -4.093 1.559) 4.973 15.927 ( -1.509 2.321 2.254) 3.570 15.974 ( -0.640 -4.161 -1.425) 4.445 25.027 ( 0.217 0.951 0.375) 1.045 25.216 ( -0.576 0.146 -0.200) 0.627 25.263 ( 0.064 1.250 -0.031) 1.252 25.333 ( -4.393 0.202 -0.163) 4.401 25.481 ( 4.998 2.643 -0.037) 5.654 25.913 ( 0.066 -4.436 0.254) 4.444 26.062 ( -3.428 -5.863 0.034) 6.792 26.203 ( -10.215 -7.447 -0.406) 12.648 26.578 ( 10.834 3.990 -0.019) 11.545 27.047 ( 4.589 -0.098 0.881) 4.674 27.744 ( 20.358 3.198 -2.690) 20.783 28.606 ( 2.804 -0.880 4.004) 4.967 29.125 ( -1.591 -0.479 -1.738) 2.405 29.187 ( -3.812 -1.410 -0.681) 4.121 29.451 ( -5.964 -1.551 -0.372) 6.174 29.892 ( -14.266 6.820 0.769) 15.831 ======================= Grid point 29 (21/138) ======================= q-point: ( 0.55 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( -10.008 -8.876 -2.567) 13.621 1.510 ( -7.393 -5.844 1.197) 9.500 2.433 ( 6.953 1.110 -2.010) 7.322 2.659 ( 5.394 -0.101 1.955) 5.738 2.874 ( 1.304 0.205 1.552) 2.037 2.981 ( 5.640 7.497 -1.007) 9.436 3.115 ( 4.009 -3.324 -1.744) 5.492 3.147 ( -0.480 2.527 0.423) 2.607 3.310 ( 2.119 -4.626 0.821) 5.154 3.389 ( -3.722 -1.791 -0.753) 4.199 3.457 ( 3.474 1.265 2.794) 4.634 3.549 ( 2.191 0.427 -3.782) 4.391 3.713 ( 6.248 -2.970 3.470) 7.740 3.816 ( 2.794 6.810 -1.932) 7.610 3.963 ( -0.776 -3.894 1.076) 4.114 4.075 ( 3.388 -1.244 0.617) 3.662 4.130 ( -1.181 2.146 1.926) 3.116 4.422 ( 9.896 3.601 -2.646) 10.858 4.988 ( -5.293 -1.543 1.342) 5.675 5.038 ( 2.067 -0.927 1.941) 2.983 5.264 ( 6.592 7.512 -3.992) 10.762 5.380 ( 8.983 3.021 1.977) 9.681 5.511 ( 10.980 0.505 -4.703) 11.956 5.682 ( 12.189 7.364 4.667) 14.986 5.814 ( 6.398 9.765 -4.172) 12.398 5.875 ( 16.753 6.246 -0.396) 17.884 6.069 ( 18.503 6.039 2.583) 19.634 6.296 ( 5.630 -1.180 -3.092) 6.531 6.390 ( 3.345 -4.929 5.832) 8.336 6.491 ( 4.771 -10.117 -2.008) 11.364 6.581 ( -4.304 -2.590 0.032) 5.023 6.789 ( 0.316 -0.417 1.012) 1.139 6.883 ( 2.846 -6.858 -3.421) 8.175 7.098 ( -2.549 -4.223 0.565) 4.965 7.120 ( -3.930 -1.921 0.646) 4.422 7.209 ( 2.421 -8.939 0.610) 9.281 7.321 ( -0.418 -7.232 1.848) 7.476 7.469 ( 0.442 -5.856 -2.414) 6.349 7.525 ( -2.204 3.270 -2.179) 4.505 7.767 ( -5.568 -3.787 3.174) 7.445 7.990 ( -10.236 -2.883 -0.728) 10.659 8.061 ( -14.109 2.674 0.394) 14.366 8.700 ( -7.601 -2.117 0.477) 7.905 8.785 ( -4.634 5.595 0.046) 7.265 9.597 ( -6.144 2.327 -0.981) 6.643 9.859 ( 1.444 1.814 1.622) 2.830 10.256 ( 7.015 0.289 -0.610) 7.048 10.298 ( 5.662 7.471 -0.775) 9.406 10.418 ( 5.870 1.615 -0.840) 6.146 10.713 ( 10.630 8.416 -1.640) 13.657 10.780 ( 4.236 7.529 4.853) 9.909 11.041 ( -1.569 1.478 0.735) 2.277 11.307 ( -6.183 -4.649 -5.301) 9.378 11.430 ( 0.034 2.121 1.382) 2.532 12.007 ( -1.422 -2.056 4.552) 5.193 12.185 ( -12.961 -11.405 -3.543) 17.624 14.011 ( 3.087 0.673 -2.414) 3.976 14.329 ( -1.234 1.058 4.510) 4.794 14.461 ( -4.104 -2.677 -1.167) 5.037 14.569 ( 1.572 -0.057 -1.588) 2.235 14.670 ( 0.991 0.223 1.974) 2.220 14.966 ( -3.935 -1.461 1.301) 4.394 15.051 ( 2.953 -1.453 -4.570) 5.632 15.123 ( 3.497 4.022 1.954) 5.677 15.476 ( 5.010 1.102 -0.849) 5.200 15.598 ( 3.780 -3.042 0.612) 4.891 15.849 ( -3.064 3.951 1.173) 5.135 16.016 ( -4.064 -3.034 -0.771) 5.130 25.032 ( 2.177 -0.160 0.343) 2.209 25.204 ( -0.128 0.831 -0.720) 1.107 25.244 ( -0.034 0.880 0.774) 1.172 25.298 ( -3.921 -1.077 -0.479) 4.095 25.497 ( 7.049 2.469 -0.102) 7.469 25.985 ( 0.612 -3.617 0.401) 3.691 26.048 ( -6.795 0.019 -0.016) 6.795 26.251 ( -9.824 -8.245 -0.155) 12.826 26.615 ( 9.700 3.700 -0.146) 10.383 27.049 ( -0.752 2.104 0.295) 2.254 27.841 ( 18.354 7.459 -0.919) 19.833 28.612 ( -3.013 1.465 1.090) 3.523 29.130 ( -0.756 -0.845 0.380) 1.196 29.200 ( -2.039 -3.169 -0.677) 3.828 29.423 ( -3.155 -3.038 -0.432) 4.401 29.740 ( -7.240 -0.853 0.349) 7.298 ======================= Grid point 30 (22/138) ======================= q-point: (-0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( -6.812 -9.904 -0.702) 12.041 1.560 ( -4.415 -7.067 1.074) 8.401 2.422 ( 2.941 6.058 -3.774) 7.719 2.599 ( -1.753 8.852 2.512) 9.367 2.862 ( -0.576 1.797 1.413) 2.357 2.901 ( 9.244 9.357 1.118) 13.200 3.055 ( -2.649 6.216 -0.220) 6.760 3.219 ( -0.087 -4.297 -0.381) 4.315 3.296 ( -2.730 5.222 -1.828) 6.169 3.326 ( -5.272 1.232 -4.824) 7.252 3.494 ( 8.182 4.430 3.920) 10.096 3.583 ( 3.945 1.289 2.058) 4.632 3.682 ( -0.473 3.643 -3.590) 5.136 3.783 ( 2.830 1.938 2.114) 4.029 4.052 ( 1.426 -4.624 -1.144) 4.972 4.148 ( 0.044 -5.838 2.912) 6.524 4.187 ( 6.245 -4.426 3.424) 8.385 4.442 ( 11.728 6.788 -2.491) 13.778 4.896 ( -7.486 4.001 -0.720) 8.519 5.090 ( 1.881 -0.589 3.103) 3.676 5.170 ( 2.543 8.025 -5.227) 9.909 5.373 ( 8.065 7.916 4.850) 12.297 5.509 ( 4.137 7.303 -1.484) 8.524 5.644 ( 7.070 8.424 -1.597) 11.113 5.755 ( 17.916 11.472 -2.112) 21.379 5.841 ( 11.388 13.541 -3.711) 18.078 6.149 ( 10.216 1.749 2.950) 10.776 6.288 ( 5.504 6.857 -1.721) 8.960 6.360 ( -8.449 7.753 4.023) 12.153 6.549 ( -0.915 3.796 2.938) 4.886 6.605 ( -6.110 1.777 -0.884) 6.425 6.674 ( -5.732 6.142 -0.704) 8.430 6.889 ( -5.846 2.654 -0.736) 6.463 6.956 ( -11.287 11.420 0.128) 16.057 7.093 ( -2.468 -0.589 -4.052) 4.781 7.191 ( -2.822 -1.418 3.446) 4.674 7.381 ( -1.277 1.881 -2.310) 3.241 7.523 ( -0.604 -1.884 0.387) 2.016 7.542 ( -12.859 8.124 0.669) 15.225 7.761 ( -7.935 -5.206 2.990) 9.950 7.853 ( -5.942 -0.216 -4.720) 7.591 8.036 ( -8.493 -9.457 3.002) 13.060 8.715 ( 0.862 -2.712 0.934) 2.995 8.769 ( -2.788 -10.603 -0.882) 10.999 9.546 ( -3.934 -2.863 -0.307) 4.876 9.860 ( 2.027 -0.406 1.084) 2.335 10.264 ( 8.017 3.872 -1.162) 8.978 10.367 ( 12.599 -2.549 -3.340) 13.281 10.502 ( 3.514 5.512 3.387) 7.362 10.608 ( 11.162 2.086 4.324) 12.151 10.836 ( 5.689 -2.097 -5.963) 8.504 11.022 ( -4.590 -3.572 3.392) 6.733 11.328 ( -6.487 -5.047 -5.914) 10.126 11.475 ( 10.450 -0.957 3.091) 10.940 11.988 ( -3.828 1.374 -0.565) 4.107 12.209 ( -14.161 -7.151 2.260) 16.024 14.045 ( 4.985 0.028 -2.629) 5.636 14.300 ( -0.898 0.845 3.111) 3.347 14.485 ( -4.561 -4.734 -1.487) 6.740 14.553 ( 1.061 3.352 -2.708) 4.437 14.677 ( 1.348 -0.009 3.891) 4.118 14.932 ( -4.762 -0.016 -0.767) 4.824 15.059 ( -1.136 1.455 -2.402) 3.029 15.161 ( 7.552 -1.257 2.804) 8.153 15.495 ( 5.473 2.617 0.100) 6.068 15.662 ( 4.228 0.883 -0.558) 4.355 15.753 ( -5.275 1.756 -0.993) 5.647 15.995 ( -6.024 -0.515 1.037) 6.134 25.066 ( 2.939 -0.444 0.282) 2.986 25.194 ( 0.176 -0.176 -1.420) 1.442 25.236 ( -0.203 -0.026 1.405) 1.420 25.296 ( -2.777 -2.559 -0.298) 3.788 25.533 ( 8.735 2.373 -0.234) 9.054 25.960 ( -8.999 1.126 0.112) 9.070 26.043 ( 2.149 -1.843 0.332) 2.850 26.267 ( -9.599 -4.832 -0.013) 10.747 26.631 ( 7.774 4.813 -0.072) 9.143 26.968 ( -4.705 4.246 -0.027) 6.338 27.848 ( 15.414 11.501 0.060) 19.232 28.492 ( -8.840 5.007 -0.942) 10.203 29.123 ( -1.061 -0.215 1.624) 1.952 29.245 ( -0.541 -3.530 -0.007) 3.571 29.553 ( 4.070 -10.631 -0.932) 11.421 29.748 ( -3.923 -6.017 0.112) 7.183 ======================= Grid point 31 (23/138) ======================= q-point: (-0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( -2.944 -9.497 0.667) 9.965 1.662 ( -1.470 -8.394 0.179) 8.523 2.288 ( -0.399 11.417 -4.611) 12.320 2.383 ( -2.057 12.844 3.592) 13.495 2.781 ( 3.773 9.459 -0.404) 10.192 2.841 ( 2.554 7.685 3.885) 8.982 2.925 ( 0.417 6.639 -1.736) 6.875 3.102 ( -4.552 11.450 0.509) 12.333 3.151 ( -5.452 7.900 -4.338) 10.533 3.317 ( 0.325 -0.294 -0.041) 0.440 3.482 ( 3.939 3.880 1.480) 5.723 3.536 ( 1.268 2.872 -0.004) 3.139 3.725 ( 1.504 -4.008 -0.932) 4.381 3.770 ( -0.544 0.580 1.707) 1.883 4.102 ( 1.263 0.048 -0.483) 1.353 4.260 ( 3.527 -1.767 0.327) 3.959 4.283 ( 1.066 -0.948 3.259) 3.558 4.429 ( 12.847 7.507 -0.691) 14.895 4.708 ( -11.081 7.429 -1.806) 13.463 5.033 ( 3.977 11.033 0.204) 11.730 5.091 ( -1.586 1.962 -0.481) 2.569 5.262 ( 5.387 14.015 4.770) 15.755 5.422 ( 2.884 5.637 -1.979) 6.634 5.538 ( 6.870 12.635 -1.474) 14.457 5.654 ( 3.623 15.878 -3.066) 16.572 5.737 ( 13.465 11.282 -4.026) 18.022 5.966 ( -14.443 20.097 3.142) 24.948 6.121 ( -10.220 10.978 -0.625) 15.012 6.213 ( 14.383 11.924 0.607) 18.693 6.337 ( -10.530 8.447 -1.035) 13.539 6.363 ( -3.503 12.303 3.631) 13.298 6.570 ( -8.697 6.302 1.797) 10.890 6.764 ( -1.289 2.838 -0.331) 3.134 6.802 ( -2.695 3.004 1.019) 4.162 6.964 ( -15.592 9.006 -3.264) 18.300 7.162 ( -1.264 3.690 -0.948) 4.014 7.218 ( -4.809 2.121 1.112) 5.373 7.370 ( 0.516 2.293 1.286) 2.679 7.458 ( -0.093 11.559 -0.486) 11.569 7.648 ( -2.001 15.282 -1.279) 15.465 7.845 ( 2.310 2.150 -0.932) 3.291 8.077 ( -4.981 -6.256 2.163) 8.284 8.898 ( 2.908 -14.414 1.463) 14.777 8.974 ( -1.911 -14.957 -1.192) 15.125 9.636 ( -1.849 -10.969 -0.446) 11.132 9.951 ( 1.211 -8.430 0.417) 8.526 10.295 ( 5.105 2.968 1.529) 6.100 10.355 ( -0.405 2.286 -1.077) 2.559 10.607 ( 12.970 -6.813 -2.283) 14.828 10.764 ( 4.750 -5.777 2.598) 7.918 10.929 ( 4.398 -3.822 -1.572) 6.036 11.076 ( -4.347 -8.208 2.499) 9.618 11.355 ( -4.290 -4.508 -4.863) 7.897 11.611 ( 12.454 -0.350 2.740) 12.757 11.887 ( -5.606 5.214 -4.039) 8.656 12.161 ( -10.766 -2.017 4.658) 11.903 14.096 ( 3.601 -0.905 -2.091) 4.261 14.302 ( 1.828 -1.012 2.259) 3.078 14.462 ( -3.295 2.970 -1.304) 4.624 14.549 ( -0.231 -2.719 -2.495) 3.697 14.695 ( 2.496 0.474 3.036) 3.959 14.886 ( -4.646 -0.316 0.540) 4.688 15.001 ( -0.504 4.280 -1.905) 4.712 15.267 ( 4.162 -4.060 2.179) 6.209 15.482 ( 3.352 4.760 0.205) 5.826 15.608 ( 2.467 7.341 -1.241) 7.843 15.731 ( -4.676 -2.605 -1.468) 5.550 15.938 ( -3.789 0.553 1.631) 4.162 25.091 ( 1.279 -0.126 0.297) 1.319 25.217 ( 1.260 -1.202 -2.229) 2.829 25.245 ( -0.472 -1.737 1.903) 2.620 25.330 ( -1.375 -3.923 0.048) 4.158 25.583 ( 9.125 2.188 -0.319) 9.389 25.845 ( -9.285 1.722 0.157) 9.445 26.093 ( 4.885 -0.293 0.361) 4.907 26.233 ( -9.576 -2.327 -0.068) 9.855 26.600 ( 5.603 6.571 0.030) 8.635 26.826 ( -5.705 6.329 -0.162) 8.522 27.735 ( 8.540 16.428 0.739) 18.530 28.333 ( -6.693 3.557 -1.425) 7.712 29.135 ( -0.090 -1.739 0.829) 1.929 29.302 ( 0.251 -3.382 0.091) 3.393 29.741 ( 3.272 -5.017 0.141) 5.991 29.911 ( -0.468 -17.352 -0.413) 17.363 ======================= Grid point 32 (24/138) ======================= q-point: (-0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 0.000 -5.673 0.000) 5.673 1.794 ( 0.000 -6.777 0.000) 6.777 2.042 ( -0.000 16.119 -0.000) 16.119 2.182 ( -0.000 9.766 -0.000) 9.766 2.608 ( -0.000 14.580 -0.000) 14.580 2.703 ( -0.000 8.175 -0.000) 8.175 2.777 ( -0.000 12.169 -0.000) 12.169 2.837 ( -0.000 15.476 -0.000) 15.476 3.026 ( -0.000 3.106 -0.000) 3.106 3.263 ( -0.000 8.652 -0.000) 8.652 3.430 ( -0.000 3.516 -0.000) 3.516 3.535 ( 0.000 -0.614 0.000) 0.614 3.741 ( -0.000 2.696 -0.000) 2.696 3.795 ( 0.000 -2.536 0.000) 2.536 4.064 ( -0.000 6.017 -0.000) 6.017 4.184 ( -0.000 9.100 -0.000) 9.100 4.256 ( -0.000 5.232 -0.000) 5.232 4.452 ( -0.000 2.016 -0.000) 2.016 4.486 ( -0.000 8.034 -0.000) 8.034 4.854 ( -0.000 12.432 -0.000) 12.432 5.006 ( -0.000 13.438 -0.000) 13.438 5.037 ( -0.000 8.887 -0.000) 8.887 5.285 ( -0.000 19.150 -0.000) 19.150 5.375 ( -0.000 8.536 -0.000) 8.536 5.435 ( -0.000 11.955 -0.000) 11.955 5.505 ( -0.000 20.282 -0.000) 20.282 5.550 ( -0.000 19.407 -0.000) 19.407 5.852 ( -0.000 7.012 -0.000) 7.012 6.083 ( -0.000 14.800 -0.000) 14.800 6.161 ( -0.000 8.907 -0.000) 8.907 6.197 ( -0.000 13.161 -0.000) 13.161 6.275 ( -0.000 9.203 -0.000) 9.203 6.657 ( -0.000 13.792 -0.000) 13.792 6.685 ( -0.000 5.889 -0.000) 5.889 6.815 ( -0.000 8.852 -0.000) 8.852 7.069 ( -0.000 9.068 -0.000) 9.068 7.157 ( -0.000 1.650 -0.000) 1.650 7.242 ( -0.000 18.158 -0.000) 18.158 7.278 ( -0.000 3.678 -0.000) 3.678 7.357 ( -0.000 9.889 -0.000) 9.889 7.864 ( 0.000 -4.551 0.000) 4.551 8.157 ( 0.000 -5.074 0.000) 5.074 9.174 ( 0.000 -10.635 0.000) 10.635 9.205 ( 0.000 -18.846 0.000) 18.846 9.835 ( 0.000 -12.371 0.000) 12.371 10.059 ( 0.000 -0.958 0.000) 0.958 10.331 ( 0.000 -8.875 0.000) 8.875 10.426 ( 0.000 -8.031 0.000) 8.031 10.818 ( 0.000 -7.270 0.000) 7.270 10.850 ( 0.000 -4.688 0.000) 4.688 11.015 ( 0.000 -2.329 0.000) 2.329 11.272 ( 0.000 -17.424 0.000) 17.424 11.399 ( 0.000 -4.406 0.000) 4.406 11.670 ( -0.000 2.991 -0.000) 2.991 11.718 ( -0.000 9.135 -0.000) 9.135 12.097 ( -0.000 3.000 -0.000) 3.000 14.134 ( 0.000 -1.543 0.000) 1.543 14.369 ( 0.000 -4.032 0.000) 4.032 14.379 ( -0.000 3.425 -0.000) 3.425 14.580 ( 0.000 -0.568 0.000) 0.568 14.700 ( -0.000 0.451 -0.000) 0.451 14.879 ( 0.000 -1.873 0.000) 1.873 14.918 ( -0.000 4.711 -0.000) 4.711 15.366 ( 0.000 -4.484 0.000) 4.484 15.392 ( -0.000 7.002 -0.000) 7.002 15.498 ( -0.000 7.685 -0.000) 7.685 15.706 ( -0.000 2.062 -0.000) 2.062 15.936 ( 0.000 -2.327 0.000) 2.327 25.104 ( 0.000 -1.013 0.000) 1.013 25.243 ( 0.000 -1.463 0.000) 1.463 25.287 ( 0.000 -3.126 0.000) 3.126 25.395 ( 0.000 -4.249 0.000) 4.249 25.607 ( -0.000 1.961 -0.000) 1.961 25.749 ( -0.000 2.737 -0.000) 2.737 26.127 ( -0.000 3.019 -0.000) 3.019 26.191 ( 0.000 -2.295 0.000) 2.295 26.520 ( -0.000 6.385 -0.000) 6.385 26.669 ( -0.000 8.120 -0.000) 8.120 27.471 ( -0.000 19.291 -0.000) 19.291 28.258 ( -0.000 2.006 -0.000) 2.006 29.171 ( 0.000 -2.438 0.000) 2.438 29.359 ( 0.000 -3.175 0.000) 3.175 29.826 ( 0.000 -4.033 0.000) 4.033 30.240 ( 0.000 -20.874 0.000) 20.874 ======================= Grid point 37 (25/138) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( -10.675 0.000 -18.757) 21.582 1.371 ( -5.244 0.000 9.388) 10.754 2.042 ( 16.707 -0.000 1.779) 16.802 2.047 ( 22.840 -0.000 17.273) 28.636 2.376 ( 6.934 -0.000 -5.534) 8.872 2.683 ( 6.746 -0.000 6.436) 9.324 2.729 ( 15.242 -0.000 -8.719) 17.560 2.852 ( 9.457 -0.000 8.666) 12.828 3.139 ( -0.337 0.000 -9.560) 9.566 3.314 ( -1.952 0.000 5.218) 5.571 3.369 ( -1.253 0.000 0.656) 1.414 3.618 ( 7.780 -0.000 -3.699) 8.614 3.685 ( 4.524 -0.000 0.563) 4.559 3.838 ( -0.228 0.000 -1.975) 1.988 3.898 ( -1.130 0.000 0.264) 1.161 4.161 ( 3.492 -0.000 -12.842) 13.308 4.214 ( 1.964 -0.000 1.574) 2.517 4.246 ( -5.038 0.000 1.687) 5.313 4.502 ( 9.407 -0.000 -1.227) 9.486 4.885 ( 6.843 -0.000 0.172) 6.845 4.978 ( 11.573 -0.000 13.868) 18.062 5.031 ( 14.543 -0.000 -2.291) 14.722 5.070 ( 9.452 -0.000 -2.039) 9.670 5.214 ( 15.097 -0.000 -8.553) 17.352 5.433 ( 14.125 -0.000 4.740) 14.899 5.708 ( 21.881 -0.000 6.333) 22.779 5.819 ( 10.024 -0.000 2.225) 10.268 5.948 ( 13.310 -0.000 -5.348) 14.345 5.969 ( 21.900 -0.000 1.253) 21.936 5.997 ( 9.010 -0.000 2.475) 9.343 6.049 ( 19.824 -0.000 -4.599) 20.351 6.241 ( 7.262 -0.000 -1.182) 7.357 6.341 ( 9.913 -0.000 -0.714) 9.939 6.447 ( 20.242 -0.000 1.177) 20.276 6.762 ( 22.631 -0.000 2.832) 22.807 6.781 ( 24.065 -0.000 -12.985) 27.344 7.116 ( -7.978 0.000 12.377) 14.726 7.164 ( 21.113 -0.000 -10.791) 23.711 7.532 ( 12.273 -0.000 19.173) 22.765 7.655 ( 5.852 -0.000 0.011) 5.852 8.084 ( -8.715 0.000 -0.023) 8.715 8.154 ( -3.927 0.000 -9.589) 10.362 9.097 ( -8.895 0.000 -3.381) 9.516 9.113 ( -12.518 0.000 4.196) 13.203 9.961 ( -6.646 0.000 0.001) 6.646 10.380 ( -12.804 0.000 -1.813) 12.932 10.510 ( -5.969 0.000 11.893) 13.307 10.521 ( -2.503 0.000 -5.384) 5.937 10.870 ( -9.923 0.000 3.192) 10.423 10.959 ( -8.990 0.000 -4.325) 9.976 11.039 ( -9.704 0.000 1.932) 9.895 11.146 ( 2.474 -0.000 3.213) 4.055 11.451 ( 0.006 -0.000 -3.479) 3.479 11.520 ( -1.517 0.000 1.642) 2.235 11.728 ( -12.744 0.000 -22.605) 25.950 11.932 ( 10.397 -0.000 10.466) 14.752 14.082 ( -9.219 0.000 -2.190) 9.476 14.358 ( -0.615 0.000 0.785) 0.997 14.414 ( 1.323 -0.000 4.529) 4.718 14.626 ( 4.224 -0.000 0.597) 4.266 14.777 ( 1.143 -0.000 0.134) 1.151 14.832 ( -1.822 0.000 -1.630) 2.445 15.113 ( 1.823 -0.000 -1.633) 2.447 15.130 ( 6.297 -0.000 -2.638) 6.827 15.139 ( 3.391 -0.000 -4.385) 5.543 15.482 ( 0.169 -0.000 8.283) 8.285 15.875 ( 3.266 -0.000 4.195) 5.316 15.933 ( 0.438 -0.000 -1.885) 1.935 25.115 ( -1.641 0.000 1.358) 2.130 25.178 ( -2.118 0.000 -0.726) 2.240 25.314 ( -1.573 0.000 -0.692) 1.719 25.371 ( -1.760 0.000 -1.014) 2.032 25.534 ( 1.775 -0.000 -0.891) 1.987 25.605 ( -2.114 0.000 4.089) 4.603 25.963 ( 0.657 -0.000 -5.429) 5.468 26.009 ( -6.109 0.000 2.928) 6.775 26.677 ( 10.697 -0.000 -0.486) 10.708 26.883 ( 15.331 -0.000 2.534) 15.539 27.539 ( 18.784 -0.000 -4.338) 19.278 28.689 ( 4.073 -0.000 11.385) 12.092 29.149 ( -4.527 0.000 -16.690) 17.293 29.285 ( -3.669 0.000 0.980) 3.798 29.286 ( -5.588 0.000 5.810) 8.061 30.401 ( -22.403 0.000 1.147) 22.432 ======================= Grid point 38 (26/138) ======================= q-point: ( 0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( -14.991 1.559 -14.323) 20.792 1.330 ( -10.810 -3.912 6.453) 13.184 2.211 ( 19.765 -1.568 3.016) 20.055 2.354 ( 16.824 -4.161 5.250) 18.109 2.496 ( 7.532 -8.867 -0.778) 11.660 2.806 ( 7.979 -5.989 6.180) 11.736 2.968 ( 10.739 -6.186 6.017) 13.776 2.980 ( 11.217 -8.003 -4.529) 14.504 3.143 ( 0.182 -0.098 -5.690) 5.694 3.212 ( -1.837 4.728 2.084) 5.484 3.426 ( -2.586 -5.079 0.946) 5.778 3.617 ( -1.254 3.518 -0.972) 3.859 3.661 ( -1.803 3.684 -1.190) 4.271 3.853 ( 2.462 -1.057 -1.888) 3.278 3.922 ( 3.154 -0.880 -0.000) 3.275 4.158 ( -5.146 -1.199 -2.170) 5.712 4.207 ( 0.433 1.647 -3.857) 4.216 4.288 ( 6.302 -5.390 -4.148) 9.273 4.619 ( 0.965 -6.022 -0.957) 6.174 4.963 ( 1.501 -5.454 8.006) 9.803 5.094 ( 8.267 -3.251 2.224) 9.157 5.120 ( 9.738 0.655 -1.843) 9.933 5.275 ( 7.644 -12.535 2.042) 14.823 5.441 ( 5.580 -11.816 -8.420) 15.545 5.629 ( 12.335 -6.295 4.847) 14.672 5.815 ( 11.720 6.451 2.537) 13.616 5.932 ( 18.820 -0.703 2.952) 19.063 6.012 ( 10.550 5.344 1.891) 11.976 6.134 ( 10.853 -3.633 -3.060) 11.847 6.166 ( 18.659 -0.891 -0.929) 18.703 6.265 ( 16.289 -0.852 -1.617) 16.391 6.372 ( 14.436 -5.406 -1.104) 15.455 6.458 ( 11.501 -2.132 -2.714) 12.008 6.728 ( 29.041 11.967 -3.132) 31.566 6.816 ( 17.407 -7.300 2.820) 19.085 7.029 ( -5.847 0.634 9.114) 10.847 7.178 ( 16.249 -7.427 -11.215) 21.094 7.389 ( 16.782 -1.202 0.437) 16.831 7.672 ( 10.562 1.071 4.627) 11.581 7.710 ( 11.967 -3.163 8.803) 15.189 7.968 ( -2.847 4.097 -2.812) 5.727 8.131 ( -1.962 1.333 -5.487) 5.977 8.961 ( -16.000 2.050 2.184) 16.278 9.022 ( -9.535 -1.018 -1.705) 9.740 9.880 ( -7.736 2.095 1.826) 8.220 10.135 ( -16.870 7.642 -2.217) 18.653 10.376 ( -5.910 7.293 7.077) 11.756 10.491 ( -2.297 0.975 -6.473) 6.937 10.751 ( -8.244 0.696 -0.600) 8.295 10.864 ( -7.593 5.720 4.347) 10.453 11.043 ( -9.421 -10.198 -2.281) 14.069 11.170 ( 2.087 0.046 5.810) 6.174 11.404 ( 0.804 5.815 -4.874) 7.630 11.492 ( -4.815 0.367 -5.927) 7.645 11.699 ( -3.925 -8.218 -4.961) 10.370 11.988 ( 7.856 5.043 7.273) 11.834 13.998 ( -7.674 -0.728 -3.314) 8.390 14.353 ( -0.830 -0.020 1.404) 1.631 14.445 ( 2.458 -1.868 3.869) 4.950 14.604 ( 0.846 4.986 -0.086) 5.057 14.760 ( 2.555 3.007 -2.311) 4.573 14.872 ( -3.116 -4.593 -1.076) 5.653 15.078 ( 3.665 5.253 -3.826) 7.461 15.181 ( 4.556 -4.559 -0.754) 6.489 15.280 ( 3.874 -6.004 -0.619) 7.172 15.452 ( -1.893 2.048 4.932) 5.666 15.899 ( 3.540 0.527 2.017) 4.108 15.959 ( 0.618 -1.178 0.458) 1.407 25.081 ( -0.812 1.959 0.628) 2.211 25.181 ( -1.386 -1.744 -0.290) 2.247 25.299 ( -0.684 0.297 -0.343) 0.821 25.346 ( -2.600 0.760 -0.491) 2.753 25.525 ( 0.729 0.620 0.728) 1.203 25.686 ( -1.372 -9.046 0.404) 9.158 25.905 ( -0.543 1.906 -0.384) 2.019 26.033 ( -5.930 -4.523 -0.472) 7.473 26.741 ( 11.356 4.195 0.078) 12.106 27.029 ( 10.876 -0.966 1.225) 10.987 27.734 ( 18.181 -2.084 -2.942) 18.535 28.686 ( 4.304 4.370 6.468) 8.914 29.097 ( -4.248 -0.055 -9.225) 10.157 29.211 ( -4.030 1.568 2.640) 5.066 29.323 ( -3.478 -5.179 1.157) 6.345 30.141 ( -20.859 5.360 0.728) 21.549 ======================= Grid point 39 (27/138) ======================= q-point: ( 0.45 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( -13.992 -2.932 -8.866) 16.822 1.309 ( -10.045 -5.813 3.320) 12.071 2.384 ( 9.887 -1.949 -3.878) 10.798 2.563 ( 14.059 -4.217 4.925) 15.482 2.753 ( 8.972 -9.051 0.432) 12.751 3.018 ( 5.105 -8.822 6.704) 12.199 3.047 ( 1.595 2.591 2.515) 3.947 3.107 ( 5.012 -1.331 3.647) 6.340 3.189 ( 2.058 -1.103 -3.689) 4.366 3.309 ( 7.460 -9.639 -1.642) 12.299 3.468 ( 0.384 -1.770 -5.384) 5.680 3.508 ( -6.844 3.387 0.375) 7.646 3.598 ( -0.115 0.670 3.402) 3.469 3.880 ( 0.965 0.488 -1.848) 2.141 3.973 ( 4.216 -0.771 -0.398) 4.304 4.131 ( -2.637 1.328 -0.112) 2.955 4.179 ( -2.021 -0.620 -3.766) 4.319 4.458 ( 7.424 -3.455 -0.711) 8.219 4.719 ( -4.489 -9.245 -6.145) 11.974 5.055 ( -0.191 -2.192 12.009) 12.209 5.199 ( 6.066 -4.743 3.462) 8.443 5.292 ( 6.549 -8.785 -4.916) 12.009 5.541 ( 7.569 -6.070 -3.496) 10.313 5.681 ( 2.882 -13.592 -3.978) 14.452 5.892 ( 6.824 -10.348 0.358) 12.401 5.916 ( 15.104 -5.393 4.489) 16.655 5.971 ( 8.815 4.124 1.512) 9.849 6.128 ( 11.258 -2.372 -0.163) 11.506 6.256 ( 8.383 -1.477 0.804) 8.550 6.383 ( 18.672 -1.570 -0.460) 18.744 6.432 ( 12.637 -5.212 -2.076) 13.826 6.576 ( 14.068 0.997 -0.837) 14.128 6.677 ( 10.915 -8.736 -0.742) 14.000 6.749 ( 18.563 6.734 -0.992) 19.771 6.974 ( -1.326 0.138 8.490) 8.594 7.057 ( 7.425 -1.130 -4.840) 8.935 7.351 ( 10.224 2.343 -4.159) 11.283 7.472 ( 3.574 0.922 2.660) 4.550 7.693 ( 5.297 3.266 0.944) 6.294 7.871 ( 4.392 5.430 3.675) 7.892 7.949 ( 3.085 -1.453 -3.131) 4.630 8.087 ( 0.097 0.500 -0.128) 0.525 8.762 ( -13.875 3.203 0.889) 14.268 8.918 ( -10.455 1.930 -0.879) 10.668 9.724 ( -10.005 4.904 -0.863) 11.175 9.924 ( -8.157 2.311 1.301) 8.577 10.234 ( -3.605 2.434 2.301) 4.920 10.463 ( 1.634 1.968 -5.243) 5.834 10.650 ( -5.083 4.713 0.746) 6.972 10.735 ( -0.784 2.284 0.856) 2.562 11.070 ( -10.156 -3.845 -4.781) 11.865 11.177 ( 5.012 3.886 10.018) 11.857 11.274 ( -0.530 5.412 -5.767) 7.927 11.530 ( 0.189 -2.444 3.494) 4.269 11.786 ( -7.346 -6.936 -6.238) 11.873 11.949 ( 2.289 2.865 4.318) 5.665 13.971 ( -3.997 -2.722 -3.399) 5.911 14.344 ( -0.897 0.129 2.283) 2.456 14.491 ( -1.410 2.543 4.613) 5.453 14.535 ( 3.241 -0.111 -2.120) 3.874 14.728 ( 2.375 3.288 -1.670) 4.386 14.905 ( -3.271 -2.973 -0.168) 4.423 15.040 ( 2.682 2.485 -5.270) 6.415 15.264 ( 3.127 2.279 4.347) 5.819 15.409 ( 3.017 -6.127 1.866) 7.080 15.445 ( 0.673 -3.601 -2.534) 4.454 15.927 ( 0.965 -0.916 -0.137) 1.338 15.959 ( -0.044 1.714 1.762) 2.458 25.052 ( 0.887 1.333 0.413) 1.654 25.198 ( -0.873 -1.495 -0.305) 1.758 25.284 ( -0.290 1.289 -0.203) 1.337 25.298 ( -3.876 0.811 -0.044) 3.960 25.547 ( 3.686 -0.441 0.497) 3.745 25.823 ( -1.212 -7.539 -1.015) 7.703 25.919 ( -1.440 -5.178 0.419) 5.391 26.025 ( -7.962 -2.661 0.124) 8.396 26.770 ( 10.913 5.029 0.200) 12.017 27.105 ( 5.312 1.274 0.480) 5.484 27.945 ( 17.567 -1.898 -2.199) 17.806 28.652 ( 2.613 3.518 3.329) 5.503 29.079 ( -2.978 -2.073 -3.475) 5.025 29.152 ( -3.097 1.166 0.957) 3.445 29.367 ( -2.460 -3.060 0.416) 3.948 29.851 ( -17.225 6.321 0.343) 18.351 ======================= Grid point 40 (28/138) ======================= q-point: ( 0.55 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( -10.223 -7.998 -3.793) 13.523 1.333 ( -6.917 -6.827 1.107) 9.782 2.489 ( 5.504 -1.742 -2.745) 6.392 2.716 ( 7.133 -0.820 2.759) 7.692 2.906 ( 3.920 1.365 1.626) 4.458 2.996 ( 0.112 -3.510 -0.823) 3.607 3.176 ( 4.832 0.928 3.071) 5.800 3.208 ( 2.700 0.968 -0.550) 2.920 3.242 ( 2.674 -5.543 -0.818) 6.208 3.353 ( -2.485 1.811 0.455) 3.109 3.442 ( -2.004 -2.884 2.282) 4.188 3.537 ( 1.477 -4.325 -3.426) 5.712 3.710 ( 7.733 -7.409 2.145) 10.922 3.853 ( -0.918 2.513 -2.162) 3.440 4.003 ( 1.452 1.933 3.695) 4.416 4.082 ( 0.542 1.630 -0.327) 1.749 4.161 ( -1.662 1.592 -3.978) 4.596 4.533 ( 6.438 0.031 -0.569) 6.463 4.818 ( -8.094 -8.469 -2.656) 12.012 5.049 ( 0.270 1.686 3.729) 4.101 5.315 ( 2.701 -2.484 2.683) 4.546 5.511 ( 5.668 -8.200 0.337) 9.974 5.596 ( 6.926 4.381 -7.014) 10.787 5.869 ( 6.114 3.925 3.298) 7.979 6.020 ( 6.515 -9.175 -3.025) 11.653 6.058 ( 11.616 2.214 -1.212) 11.887 6.209 ( 14.735 -3.264 5.415) 16.035 6.321 ( 5.325 -8.984 -0.457) 10.453 6.386 ( 0.878 -9.307 -2.255) 9.617 6.525 ( 13.795 2.562 0.729) 14.050 6.608 ( 17.443 5.597 2.346) 18.469 6.730 ( 8.288 -9.253 0.009) 12.422 6.831 ( 8.373 -3.715 -2.377) 9.464 6.952 ( 8.277 -8.238 1.933) 11.836 7.000 ( 0.405 -5.003 0.302) 5.029 7.088 ( 2.123 -1.375 -2.120) 3.300 7.315 ( -1.321 5.278 1.144) 5.560 7.423 ( -7.348 4.034 -0.411) 8.392 7.620 ( -3.521 8.005 -2.614) 9.127 7.736 ( -3.304 7.326 2.175) 8.326 7.894 ( -6.969 2.287 -0.508) 7.352 8.009 ( -13.051 6.384 1.224) 14.580 8.641 ( -3.590 0.845 -0.217) 3.694 8.786 ( -7.671 2.193 0.557) 7.997 9.593 ( -4.445 2.368 -1.910) 5.386 9.876 ( -0.766 -1.049 1.809) 2.227 10.242 ( 1.667 -3.558 0.925) 4.037 10.459 ( 6.351 2.895 -4.014) 8.051 10.535 ( 1.863 5.860 3.465) 7.058 10.760 ( 3.403 -2.307 -4.382) 6.009 10.974 ( -6.920 4.117 -0.723) 8.084 11.164 ( 3.152 2.238 6.827) 7.846 11.223 ( 5.103 6.851 -0.976) 8.599 11.481 ( 0.041 4.608 0.954) 4.706 11.838 ( -13.521 -12.613 -4.874) 19.122 11.962 ( -1.252 -1.938 2.440) 3.358 14.001 ( -0.441 -3.170 -2.680) 4.174 14.330 ( -1.125 0.576 2.953) 3.212 14.406 ( -3.733 1.968 0.033) 4.220 14.608 ( 5.511 -1.099 0.917) 5.694 14.702 ( 1.586 2.196 -0.149) 2.713 14.903 ( -4.264 -1.328 0.711) 4.523 15.039 ( -0.046 -0.117 -5.947) 5.949 15.237 ( 4.728 3.181 4.533) 7.282 15.505 ( 2.793 -2.139 -1.649) 3.885 15.551 ( 1.910 -5.578 0.458) 5.914 15.903 ( -1.027 3.818 1.051) 4.091 15.942 ( -2.048 -1.060 -0.377) 2.337 25.057 ( 2.845 0.204 0.364) 2.875 25.210 ( -1.054 -0.940 -0.333) 1.451 25.237 ( -3.325 1.269 0.043) 3.559 25.268 ( -0.694 0.702 -0.144) 0.997 25.600 ( 7.369 0.755 0.098) 7.408 25.909 ( -1.660 -4.756 -0.586) 5.072 25.975 ( -6.771 -0.985 0.477) 6.859 26.026 ( -4.727 -9.156 0.041) 10.304 26.785 ( 9.349 4.865 0.088) 10.540 27.090 ( 0.021 3.428 0.119) 3.430 28.108 ( 16.677 2.714 -1.211) 16.939 28.611 ( -2.546 2.355 1.514) 3.784 29.102 ( -0.798 -2.485 0.391) 2.639 29.128 ( -2.036 -1.731 -1.354) 2.996 29.362 ( -3.151 0.097 0.394) 3.177 29.654 ( -9.575 0.307 0.071) 9.581 ======================= Grid point 41 (29/138) ======================= q-point: (-0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( -5.021 -10.703 -1.033) 11.867 1.402 ( -3.209 -7.212 0.440) 7.906 2.527 ( 2.582 2.391 -1.310) 3.755 2.717 ( 1.155 5.392 0.977) 5.600 2.879 ( -0.240 1.578 0.606) 1.708 3.066 ( 2.898 0.695 2.463) 3.866 3.135 ( 1.234 4.931 -1.925) 5.435 3.192 ( 0.768 2.391 -1.136) 2.756 3.276 ( -2.638 -1.266 -0.476) 2.964 3.317 ( -2.044 0.278 -1.467) 2.532 3.535 ( 1.421 -5.860 2.205) 6.420 3.640 ( 6.935 -0.042 2.749) 7.460 3.769 ( -1.422 6.059 -3.386) 7.085 3.916 ( 5.424 -9.061 0.242) 10.563 3.935 ( 0.469 7.042 2.490) 7.484 4.047 ( -4.931 -1.481 -0.852) 5.218 4.177 ( 2.884 -3.572 0.469) 4.614 4.613 ( 10.070 0.475 -2.942) 10.502 4.818 ( -10.840 -2.214 2.570) 11.358 5.037 ( -1.066 -1.064 -1.249) 1.956 5.349 ( 5.731 3.016 1.297) 6.605 5.476 ( -2.700 7.040 -1.397) 7.668 5.702 ( 7.557 -1.663 -0.933) 7.794 5.808 ( 4.555 8.778 1.225) 9.965 6.055 ( 4.670 3.292 -2.705) 6.322 6.167 ( 11.395 7.892 -1.966) 14.000 6.297 ( 14.795 7.703 6.707) 17.978 6.422 ( -0.753 -0.557 0.225) 0.964 6.481 ( -0.511 1.445 -2.584) 3.004 6.587 ( 7.124 2.795 -0.115) 7.654 6.685 ( 15.007 7.724 1.111) 16.914 6.772 ( -3.088 10.132 2.476) 10.877 6.889 ( -3.342 0.316 -3.165) 4.613 7.007 ( -7.223 4.595 -2.320) 8.869 7.066 ( 1.813 -2.396 -0.612) 3.066 7.170 ( 0.274 6.295 3.461) 7.189 7.317 ( -1.654 -10.630 -0.522) 10.771 7.423 ( -2.241 -5.605 -1.067) 6.130 7.441 ( -3.346 -11.570 -0.609) 12.059 7.617 ( -22.462 8.218 1.118) 23.944 7.728 ( -1.416 -4.525 0.717) 4.795 7.829 ( -6.301 -1.275 -0.148) 6.431 8.636 ( -0.595 -2.846 0.067) 2.908 8.716 ( -2.196 0.996 0.131) 2.415 9.527 ( -1.535 2.435 -0.627) 2.946 9.897 ( 1.436 0.880 0.737) 1.838 10.328 ( 1.946 -3.327 0.112) 3.855 10.472 ( 8.430 3.342 -2.180) 9.326 10.534 ( 4.045 -1.248 1.137) 4.383 10.835 ( 0.339 -0.886 -3.134) 3.274 10.847 ( 0.828 4.313 4.134) 6.031 11.013 ( 0.690 14.547 1.083) 14.604 11.211 ( -2.118 -4.190 -2.684) 5.408 11.532 ( 8.496 -3.781 1.859) 9.483 11.911 ( -13.118 -10.471 -2.754) 17.009 11.968 ( -1.889 -1.330 2.164) 3.165 14.055 ( 1.223 -2.450 -1.954) 3.364 14.307 ( -0.649 0.881 2.645) 2.863 14.378 ( -2.845 -2.549 -0.867) 3.917 14.633 ( 2.100 3.845 -0.377) 4.397 14.702 ( 3.247 -0.276 1.855) 3.749 14.874 ( -4.937 -0.658 -0.663) 5.025 15.041 ( -0.653 -1.105 -2.304) 2.637 15.252 ( 5.164 2.071 1.918) 5.885 15.557 ( 3.756 -0.814 -0.133) 3.845 15.626 ( -1.878 -2.877 -0.710) 3.508 15.824 ( 1.370 5.423 0.523) 5.617 15.926 ( -4.464 -1.081 -0.048) 4.593 25.092 ( 3.564 -0.156 0.226) 3.575 25.195 ( -2.526 -0.167 -0.626) 2.608 25.210 ( -1.427 -0.667 0.492) 1.651 25.258 ( -0.143 0.051 -0.112) 0.189 25.659 ( 9.361 2.027 -0.217) 9.580 25.874 ( -10.002 -0.356 0.272) 10.012 26.012 ( 1.537 -4.229 0.083) 4.501 26.109 ( -4.452 -5.801 -0.091) 7.313 26.784 ( 6.553 4.733 0.005) 8.084 27.002 ( -3.192 4.807 -0.014) 5.770 28.165 ( 13.766 8.397 -0.262) 16.127 28.493 ( -8.365 5.297 0.049) 9.901 29.116 ( -0.504 0.250 0.893) 1.056 29.171 ( -0.813 -4.336 -0.366) 4.426 29.397 ( -0.100 -8.545 -0.436) 8.557 29.636 ( -3.093 -3.777 0.094) 4.882 ======================= Grid point 43 (30/138) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( 0.000 -11.051 0.000) 11.051 1.513 ( 0.000 -8.007 0.000) 8.007 2.453 ( -0.000 7.782 -0.000) 7.782 2.577 ( -0.000 11.070 -0.000) 11.070 2.858 ( -0.000 1.378 -0.000) 1.378 3.001 ( -0.000 7.898 -0.000) 7.898 3.044 ( -0.000 5.984 -0.000) 5.984 3.174 ( -0.000 2.327 -0.000) 2.327 3.267 ( -0.000 5.729 -0.000) 5.729 3.290 ( 0.000 -2.680 0.000) 2.680 3.613 ( -0.000 6.748 -0.000) 6.748 3.627 ( -0.000 6.741 -0.000) 6.741 3.646 ( 0.000 -4.560 0.000) 4.560 3.807 ( -0.000 5.331 -0.000) 5.331 4.071 ( 0.000 -3.994 0.000) 3.994 4.139 ( 0.000 -10.783 0.000) 10.783 4.264 ( 0.000 -3.871 0.000) 3.871 4.662 ( -0.000 6.714 -0.000) 6.714 4.708 ( -0.000 2.562 -0.000) 2.562 5.062 ( 0.000 -2.362 0.000) 2.362 5.251 ( -0.000 12.013 -0.000) 12.013 5.399 ( -0.000 0.512 -0.000) 0.512 5.602 ( -0.000 14.939 -0.000) 14.939 5.750 ( -0.000 4.808 -0.000) 4.808 6.002 ( -0.000 17.905 -0.000) 17.905 6.023 ( -0.000 6.639 -0.000) 6.639 6.184 ( -0.000 16.347 -0.000) 16.347 6.317 ( -0.000 18.258 -0.000) 18.258 6.334 ( -0.000 7.382 -0.000) 7.382 6.473 ( -0.000 3.411 -0.000) 3.411 6.573 ( -0.000 13.880 -0.000) 13.880 6.609 ( -0.000 3.544 -0.000) 3.544 6.800 ( -0.000 2.909 -0.000) 2.909 6.943 ( -0.000 8.386 -0.000) 8.386 6.998 ( -0.000 10.789 -0.000) 10.789 7.174 ( 0.000 -2.781 0.000) 2.781 7.197 ( -0.000 4.618 -0.000) 4.618 7.373 ( 0.000 -2.375 0.000) 2.375 7.581 ( -0.000 0.443 -0.000) 0.443 7.688 ( 0.000 -6.575 0.000) 6.575 7.853 ( 0.000 -4.430 0.000) 4.430 7.916 ( 0.000 -12.338 0.000) 12.338 8.724 ( 0.000 -5.206 0.000) 5.206 8.745 ( 0.000 -10.612 0.000) 10.612 9.509 ( 0.000 -2.591 0.000) 2.591 9.881 ( 0.000 -0.189 0.000) 0.189 10.345 ( -0.000 1.934 -0.000) 1.934 10.516 ( -0.000 9.455 -0.000) 9.455 10.555 ( 0.000 -6.448 0.000) 6.448 10.733 ( -0.000 2.171 -0.000) 2.171 10.894 ( 0.000 -3.434 0.000) 3.434 10.928 ( 0.000 -3.848 0.000) 3.848 11.271 ( 0.000 -3.916 0.000) 3.916 11.659 ( 0.000 -3.364 0.000) 3.364 11.907 ( -0.000 1.411 -0.000) 1.411 12.026 ( 0.000 -6.482 0.000) 6.482 14.095 ( 0.000 -1.399 0.000) 1.399 14.297 ( 0.000 -0.135 0.000) 0.135 14.427 ( 0.000 -4.291 0.000) 4.291 14.565 ( -0.000 4.210 -0.000) 4.210 14.725 ( -0.000 0.528 -0.000) 0.528 14.849 ( 0.000 -0.255 0.000) 0.255 15.050 ( -0.000 0.711 -0.000) 0.711 15.251 ( -0.000 0.222 -0.000) 0.222 15.575 ( -0.000 3.429 -0.000) 3.429 15.647 ( 0.000 -3.864 0.000) 3.864 15.740 ( -0.000 6.359 -0.000) 6.359 15.915 ( 0.000 -0.661 0.000) 0.661 25.104 ( -0.000 0.681 -0.000) 0.681 25.210 ( 0.000 -1.573 0.000) 1.573 25.211 ( 0.000 -1.102 0.000) 1.102 25.268 ( 0.000 -1.945 0.000) 1.945 25.682 ( -0.000 2.648 -0.000) 2.648 25.806 ( -0.000 0.596 -0.000) 0.596 26.094 ( 0.000 -3.762 0.000) 3.762 26.142 ( 0.000 -1.963 0.000) 1.963 26.735 ( -0.000 5.591 -0.000) 5.591 26.893 ( -0.000 5.499 -0.000) 5.499 28.049 ( -0.000 14.477 -0.000) 14.477 28.354 ( -0.000 4.113 -0.000) 4.113 29.113 ( 0.000 -0.611 0.000) 0.611 29.240 ( 0.000 -4.116 0.000) 4.116 29.616 ( 0.000 -15.830 0.000) 15.830 29.688 ( 0.000 -4.123 0.000) 4.123 ======================= Grid point 50 (31/138) ======================= q-point: ( 0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( -17.272 0.000 -15.714) 23.350 1.189 ( -10.877 0.000 7.993) 13.498 2.413 ( 19.119 -0.000 1.548) 19.182 2.459 ( 2.408 -0.000 -3.959) 4.633 2.491 ( 20.221 -0.000 10.451) 22.762 2.833 ( 8.060 -0.000 4.479) 9.221 3.004 ( 13.418 -0.000 -5.239) 14.405 3.033 ( 8.628 -0.000 5.442) 10.201 3.141 ( 0.836 -0.000 -5.112) 5.180 3.276 ( -1.316 0.000 5.180) 5.345 3.310 ( -4.543 0.000 0.150) 4.546 3.610 ( -5.984 0.000 -0.258) 5.990 3.673 ( -2.811 0.000 0.205) 2.819 3.845 ( -0.483 0.000 -5.482) 5.503 3.930 ( 0.754 -0.000 2.065) 2.198 4.078 ( -6.909 0.000 -2.781) 7.447 4.243 ( 2.060 -0.000 -8.354) 8.605 4.276 ( 4.231 -0.000 -5.555) 6.983 4.562 ( -2.346 0.000 5.005) 5.528 4.897 ( -2.106 0.000 3.867) 4.404 5.159 ( 1.827 -0.000 -2.410) 3.025 5.167 ( 6.725 -0.000 9.420) 11.574 5.228 ( 6.865 -0.000 -0.892) 6.923 5.401 ( 4.287 -0.000 -7.916) 9.003 5.714 ( 13.323 -0.000 3.853) 13.869 5.906 ( 2.935 -0.000 6.180) 6.842 6.144 ( 14.844 -0.000 9.485) 17.616 6.169 ( 11.093 -0.000 -7.658) 13.479 6.171 ( 7.969 -0.000 -7.391) 10.869 6.271 ( 12.946 -0.000 -0.901) 12.977 6.361 ( 8.987 -0.000 -1.808) 9.167 6.468 ( 17.414 -0.000 -1.398) 17.470 6.716 ( 18.014 -0.000 -1.559) 18.082 6.894 ( 12.721 -0.000 13.324) 18.422 6.980 ( 7.008 -0.000 -3.019) 7.631 7.171 ( 22.080 -0.000 -3.967) 22.433 7.276 ( 22.498 -0.000 -4.039) 22.858 7.573 ( 20.527 -0.000 -3.142) 20.766 7.757 ( 5.056 -0.000 3.012) 5.886 7.803 ( 14.481 -0.000 9.289) 17.204 7.948 ( -4.022 0.000 3.501) 5.333 8.184 ( 5.840 -0.000 -10.528) 12.040 8.842 ( -14.726 0.000 3.353) 15.103 8.900 ( -10.797 0.000 -1.477) 10.897 9.827 ( -7.277 0.000 2.777) 7.789 9.995 ( -22.806 0.000 -3.841) 23.127 10.411 ( -6.155 0.000 5.404) 8.191 10.472 ( -2.730 0.000 -4.375) 5.157 10.650 ( -11.113 0.000 0.754) 11.139 10.834 ( -10.117 0.000 3.621) 10.745 10.841 ( -3.712 0.000 -2.056) 4.244 11.202 ( 3.036 -0.000 6.548) 7.218 11.445 ( -0.635 0.000 -0.499) 0.808 11.521 ( 0.400 -0.000 1.561) 1.611 11.530 ( -7.321 0.000 -19.023) 20.383 12.134 ( 9.239 -0.000 9.400) 13.180 13.908 ( -8.025 0.000 -3.299) 8.677 14.350 ( -0.208 0.000 -0.254) 0.329 14.450 ( 2.717 -0.000 3.093) 4.117 14.685 ( 1.516 -0.000 1.412) 2.072 14.769 ( -4.514 0.000 -3.212) 5.541 14.832 ( 4.800 -0.000 -2.024) 5.209 15.172 ( 3.779 -0.000 -0.764) 3.855 15.198 ( 2.681 -0.000 -0.856) 2.815 15.214 ( 2.767 -0.000 -2.814) 3.947 15.447 ( -3.710 0.000 6.055) 7.101 15.944 ( 0.417 -0.000 -2.715) 2.747 15.960 ( 4.658 -0.000 4.634) 6.570 25.096 ( -0.425 0.000 0.561) 0.704 25.150 ( -0.810 0.000 -0.376) 0.893 25.289 ( -1.004 0.000 0.086) 1.008 25.337 ( -1.754 0.000 -0.678) 1.881 25.552 ( -3.042 0.000 2.432) 3.895 25.571 ( 2.009 -0.000 -2.237) 3.006 25.897 ( -5.245 0.000 3.144) 6.115 25.973 ( 0.474 -0.000 -3.108) 3.144 26.873 ( 8.893 -0.000 0.324) 8.899 27.125 ( 9.559 -0.000 0.448) 9.570 27.868 ( 14.427 -0.000 -1.181) 14.475 28.765 ( 3.349 -0.000 4.653) 5.733 29.056 ( -4.291 0.000 -11.292) 12.079 29.192 ( -4.084 0.000 5.529) 6.874 29.261 ( 1.623 -0.000 1.285) 2.070 29.986 ( -20.177 0.000 0.294) 20.179 ======================= Grid point 51 (32/138) ======================= q-point: ( 0.45 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( -14.345 -0.619 -10.845) 17.994 1.131 ( -8.725 -4.198 4.872) 10.839 2.453 ( 4.623 1.113 -3.466) 5.884 2.631 ( 13.364 -3.571 2.857) 14.125 2.717 ( 12.207 -6.392 4.108) 14.378 2.952 ( 6.347 -5.120 4.016) 9.090 3.107 ( 4.046 1.020 3.109) 5.204 3.148 ( 2.468 -0.246 -0.140) 2.484 3.186 ( 2.055 1.056 -1.890) 2.985 3.225 ( 7.648 -7.967 -0.958) 11.085 3.352 ( -5.056 -4.953 1.482) 7.231 3.528 ( -5.473 1.991 -1.294) 5.966 3.632 ( 0.057 2.412 3.330) 4.112 3.834 ( -4.589 -2.303 -6.307) 8.133 3.959 ( -1.185 -3.950 0.083) 4.125 4.059 ( -2.195 -2.485 1.537) 3.655 4.224 ( 1.922 3.349 -7.477) 8.415 4.402 ( 4.732 -8.415 -7.904) 12.477 4.556 ( -6.066 -3.747 5.570) 9.048 4.942 ( -1.742 -7.348 6.262) 9.810 5.186 ( 1.630 -5.120 -1.910) 5.703 5.266 ( 5.250 1.569 2.001) 5.833 5.385 ( 4.087 -13.204 3.778) 14.329 5.486 ( -0.206 -9.543 -7.558) 12.175 5.831 ( 8.320 -1.678 3.354) 9.126 5.949 ( 3.579 -2.221 4.437) 6.118 6.164 ( 6.031 6.462 -0.594) 8.859 6.226 ( 8.380 1.474 -6.278) 10.574 6.280 ( 4.674 -1.811 0.195) 5.016 6.423 ( 11.589 -3.386 -0.832) 12.102 6.529 ( 11.946 -6.573 0.904) 13.665 6.659 ( 8.660 -4.992 -0.369) 10.002 6.802 ( 11.791 2.826 -1.712) 12.245 6.883 ( 1.779 1.719 6.985) 7.410 7.076 ( 11.125 7.236 -1.755) 13.387 7.343 ( 23.530 7.391 0.265) 24.665 7.480 ( 12.326 -2.257 -4.138) 13.197 7.621 ( 11.510 11.406 -0.012) 16.204 7.791 ( 5.341 2.478 2.918) 6.571 7.923 ( -1.113 0.188 -0.764) 1.363 8.016 ( 12.829 -2.598 6.688) 14.699 8.173 ( 3.356 7.212 -6.936) 10.554 8.682 ( -11.474 1.851 2.557) 11.900 8.820 ( -10.275 -1.287 -1.330) 10.440 9.698 ( -11.355 4.387 -0.883) 12.205 9.820 ( -12.471 -2.111 0.220) 12.650 10.268 ( -3.743 5.600 2.838) 7.309 10.470 ( -1.234 -1.185 -4.059) 4.405 10.609 ( -5.424 -3.898 -0.913) 6.742 10.729 ( -5.895 0.887 3.525) 6.926 10.887 ( -5.897 -6.218 -1.002) 8.628 11.229 ( 3.241 0.142 8.980) 9.548 11.374 ( -2.592 5.149 -10.279) 11.785 11.439 ( -1.633 -0.358 -1.494) 2.242 11.638 ( -2.126 -7.927 -1.794) 8.401 12.128 ( 5.542 9.422 5.722) 12.338 13.869 ( -5.041 -3.282 -2.887) 6.672 14.345 ( -0.090 0.397 0.011) 0.407 14.505 ( 3.647 -2.176 3.780) 5.685 14.606 ( -0.568 6.415 -1.021) 6.520 14.763 ( -3.386 -0.996 -2.428) 4.284 14.863 ( 3.226 0.841 -1.329) 3.589 15.127 ( 1.669 5.271 -2.963) 6.273 15.274 ( 4.146 -5.389 2.078) 7.110 15.323 ( 0.396 -5.246 1.268) 5.412 15.405 ( -2.059 -0.522 1.048) 2.369 15.937 ( 0.129 0.837 -1.778) 1.969 15.995 ( 2.691 0.924 2.970) 4.113 25.083 ( 0.900 1.043 0.277) 1.405 25.159 ( -1.072 -1.452 -0.260) 1.824 25.280 ( -1.175 0.210 0.122) 1.200 25.304 ( -1.482 1.694 -0.288) 2.269 25.540 ( 0.708 -2.288 0.923) 2.567 25.663 ( -0.768 -7.568 -1.724) 7.800 25.863 ( -3.248 -1.228 2.350) 4.193 25.968 ( -1.086 0.773 -1.498) 2.006 26.925 ( 7.168 2.660 0.384) 7.656 27.186 ( 5.409 1.821 0.057) 5.707 28.024 ( 11.116 -4.032 -0.791) 11.851 28.755 ( 2.574 4.405 2.011) 5.484 29.022 ( -3.005 -0.880 -5.344) 6.193 29.148 ( -2.560 1.166 2.741) 3.928 29.321 ( 3.637 -2.646 1.138) 4.639 29.768 ( -17.528 3.772 -0.173) 17.930 ======================= Grid point 52 (33/138) ======================= q-point: ( 0.55 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( -7.490 -5.451 -4.148) 10.150 1.161 ( -4.429 -6.823 1.470) 8.267 2.494 ( 2.397 -1.721 -2.058) 3.598 2.761 ( 5.344 -0.959 1.910) 5.756 2.931 ( 7.840 -6.499 0.529) 10.197 3.000 ( -1.281 3.754 1.864) 4.382 3.153 ( 4.466 -5.556 1.880) 7.372 3.207 ( 0.358 -2.880 -1.180) 3.133 3.225 ( 4.449 -1.535 1.004) 4.812 3.335 ( -7.904 -1.326 0.720) 8.047 3.376 ( 0.646 -2.096 0.371) 2.224 3.485 ( -0.423 -1.188 -3.183) 3.423 3.662 ( 4.982 -3.896 3.476) 7.217 3.854 ( -2.714 -3.797 -3.653) 5.926 4.003 ( -0.619 -1.039 2.582) 2.851 4.084 ( -1.390 -1.991 -0.019) 2.428 4.185 ( 2.053 3.023 -5.020) 6.209 4.549 ( 2.199 -3.238 2.696) 4.753 4.603 ( -5.134 -8.998 -4.411) 11.260 5.066 ( 0.645 -4.006 4.936) 6.390 5.278 ( 2.123 -1.794 1.430) 3.126 5.346 ( 0.352 -12.098 -2.296) 12.319 5.645 ( 3.339 -8.479 -0.058) 9.113 5.703 ( -0.004 -16.505 -2.922) 16.762 5.985 ( 2.654 -12.080 1.386) 12.446 6.073 ( 2.159 -0.076 2.034) 2.967 6.117 ( 5.581 -5.670 1.894) 8.178 6.256 ( 2.975 1.328 -3.891) 5.075 6.339 ( 1.172 -2.304 0.275) 2.599 6.624 ( 6.600 -9.282 -4.059) 12.091 6.717 ( 11.085 -1.637 1.121) 11.261 6.761 ( -1.617 -4.473 5.136) 7.000 6.892 ( 12.019 0.958 -0.297) 12.061 6.927 ( 6.668 -2.337 -1.177) 7.163 7.025 ( 4.361 6.308 0.066) 7.670 7.304 ( 2.606 11.077 0.793) 11.407 7.486 ( 3.751 13.332 2.906) 14.152 7.555 ( 15.790 10.348 -5.604) 19.693 7.711 ( -4.810 8.544 -0.028) 9.805 7.866 ( -0.147 4.687 2.697) 5.410 7.975 ( -0.240 13.802 -1.031) 13.843 8.015 ( -10.890 8.267 0.366) 13.678 8.626 ( 0.130 -1.667 0.169) 1.681 8.735 ( -7.459 1.010 -0.164) 7.529 9.575 ( -4.107 0.577 -1.620) 4.453 9.797 ( -4.220 -4.654 1.309) 6.417 10.218 ( 0.987 -0.509 1.150) 1.598 10.498 ( 1.520 -2.337 -2.876) 4.005 10.613 ( -0.058 2.014 1.036) 2.266 10.736 ( 0.962 -5.024 1.623) 5.366 10.885 ( -7.227 -1.383 -3.352) 8.086 11.219 ( -0.105 5.565 2.362) 6.046 11.345 ( 6.874 -3.544 3.169) 8.358 11.482 ( -5.404 -7.788 -2.685) 9.852 11.668 ( -3.496 4.572 -1.708) 6.004 11.986 ( 1.111 7.698 1.784) 7.980 13.914 ( -1.561 -5.380 -1.606) 5.827 14.335 ( -0.198 0.765 0.333) 0.857 14.461 ( -1.041 6.737 1.396) 6.958 14.616 ( 3.958 -3.496 0.441) 5.299 14.739 ( -1.568 0.586 -1.024) 1.962 14.862 ( -0.685 0.867 -0.508) 1.216 15.066 ( 0.453 3.203 -2.389) 4.022 15.300 ( 0.543 1.250 3.553) 3.806 15.454 ( 1.646 -7.505 0.552) 7.703 15.466 ( 0.816 -4.770 -1.714) 5.133 15.915 ( -0.981 1.253 -0.767) 1.766 15.979 ( 0.962 2.996 1.222) 3.376 25.091 ( 2.954 0.176 0.289) 2.973 25.161 ( -3.237 -0.903 -0.283) 3.373 25.251 ( -0.656 1.516 -0.043) 1.652 25.275 ( -0.517 0.798 -0.016) 0.951 25.629 ( 4.165 -4.730 0.637) 6.334 25.778 ( -3.490 -7.157 -1.749) 8.152 25.878 ( -1.892 -3.351 1.484) 4.124 25.936 ( -1.308 0.295 -0.353) 1.386 26.929 ( 4.803 3.675 0.206) 6.051 27.164 ( 1.081 4.463 -0.026) 4.592 28.202 ( 7.845 -5.518 -0.700) 9.616 28.676 ( 0.108 6.541 0.787) 6.589 29.035 ( -1.284 -3.109 -1.111) 3.543 29.113 ( -1.025 0.681 0.498) 1.328 29.380 ( 3.797 1.651 0.778) 4.213 29.565 ( -11.511 1.186 -0.426) 11.580 ======================= Grid point 53 (34/138) ======================= q-point: (-0.36 -0.64 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( 0.000 -9.321 0.000) 9.321 1.262 ( 0.000 -7.494 0.000) 7.494 2.540 ( 0.000 -1.777 0.000) 1.777 2.782 ( -0.000 1.343 -0.000) 1.343 2.925 ( -0.000 3.899 -0.000) 3.899 3.043 ( 0.000 -3.026 0.000) 3.026 3.217 ( -0.000 1.582 -0.000) 1.582 3.235 ( -0.000 0.590 -0.000) 0.590 3.271 ( -0.000 0.591 -0.000) 0.591 3.284 ( 0.000 -0.719 0.000) 0.719 3.440 ( 0.000 -5.604 0.000) 5.604 3.573 ( 0.000 -9.102 0.000) 9.102 3.775 ( 0.000 -4.526 0.000) 4.526 3.878 ( 0.000 -0.326 0.000) 0.326 3.966 ( -0.000 2.751 -0.000) 2.751 4.125 ( 0.000 -3.487 0.000) 3.487 4.129 ( -0.000 6.292 -0.000) 6.292 4.631 ( 0.000 -4.747 0.000) 4.747 4.685 ( 0.000 -4.811 0.000) 4.811 5.053 ( -0.000 2.812 -0.000) 2.812 5.351 ( 0.000 -3.376 0.000) 3.376 5.545 ( 0.000 -7.549 0.000) 7.549 5.664 ( -0.000 3.394 -0.000) 3.394 5.936 ( 0.000 -4.158 0.000) 4.158 6.058 ( 0.000 -0.611 0.000) 0.611 6.248 ( 0.000 -7.050 0.000) 7.050 6.284 ( 0.000 -15.931 0.000) 15.931 6.304 ( 0.000 -0.652 0.000) 0.652 6.456 ( 0.000 -10.486 0.000) 10.486 6.786 ( 0.000 -4.293 0.000) 4.293 6.807 ( 0.000 -0.776 0.000) 0.776 6.832 ( 0.000 -2.371 0.000) 2.371 6.886 ( -0.000 7.353 -0.000) 7.353 7.022 ( 0.000 -4.547 0.000) 4.547 7.053 ( -0.000 6.058 -0.000) 6.058 7.122 ( 0.000 -4.378 0.000) 4.378 7.248 ( -0.000 6.678 -0.000) 6.678 7.474 ( -0.000 14.919 -0.000) 14.919 7.483 ( -0.000 11.630 -0.000) 11.630 7.658 ( -0.000 15.109 -0.000) 15.109 7.770 ( -0.000 8.130 -0.000) 8.130 7.823 ( -0.000 3.064 -0.000) 3.064 8.642 ( -0.000 2.700 -0.000) 2.700 8.691 ( 0.000 -2.142 0.000) 2.142 9.555 ( -0.000 1.107 -0.000) 1.107 9.871 ( 0.000 -4.688 0.000) 4.688 10.265 ( 0.000 -3.853 0.000) 3.853 10.542 ( 0.000 -0.794 0.000) 0.794 10.574 ( -0.000 3.014 -0.000) 3.014 10.822 ( -0.000 0.607 -0.000) 0.607 10.840 ( 0.000 -2.550 0.000) 2.550 11.157 ( -0.000 0.143 -0.000) 0.143 11.382 ( -0.000 21.914 -0.000) 21.914 11.503 ( 0.000 -5.027 0.000) 5.027 11.620 ( 0.000 -13.871 0.000) 13.871 11.948 ( 0.000 -0.414 0.000) 0.414 13.996 ( 0.000 -4.769 0.000) 4.769 14.318 ( -0.000 0.920 -0.000) 0.920 14.367 ( -0.000 2.936 -0.000) 2.936 14.697 ( 0.000 -2.632 0.000) 2.632 14.705 ( -0.000 2.767 -0.000) 2.767 14.840 ( -0.000 0.165 -0.000) 0.165 15.033 ( -0.000 0.798 -0.000) 0.798 15.295 ( -0.000 0.459 -0.000) 0.459 15.537 ( 0.000 -3.259 0.000) 3.259 15.564 ( 0.000 -4.402 0.000) 4.402 15.891 ( -0.000 0.378 -0.000) 0.378 15.920 ( -0.000 4.423 -0.000) 4.423 25.125 ( -0.000 0.539 -0.000) 0.539 25.138 ( 0.000 -1.720 0.000) 1.720 25.225 ( -0.000 1.426 -0.000) 1.426 25.263 ( -0.000 0.445 -0.000) 0.445 25.751 ( 0.000 -4.540 0.000) 4.540 25.775 ( -0.000 1.967 -0.000) 1.967 25.938 ( 0.000 -4.822 0.000) 4.822 25.988 ( 0.000 -6.154 0.000) 6.154 26.891 ( -0.000 4.039 -0.000) 4.039 27.076 ( -0.000 5.711 -0.000) 5.711 28.312 ( 0.000 -0.798 0.000) 0.798 28.549 ( -0.000 7.396 -0.000) 7.396 29.093 ( 0.000 -4.309 0.000) 4.309 29.111 ( 0.000 -0.746 0.000) 0.746 29.332 ( -0.000 1.826 -0.000) 1.826 29.556 ( 0.000 -3.810 0.000) 3.810 ======================= Grid point 64 (35/138) ======================= q-point: ( 0.45 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( -9.432 0.000 -7.555) 12.085 1.025 ( -5.116 0.000 3.537) 6.219 2.483 ( 0.510 -0.000 -1.580) 1.661 2.711 ( 9.674 -0.000 0.191) 9.676 2.774 ( 7.818 -0.000 3.515) 8.572 2.976 ( 6.159 -0.000 2.050) 6.491 3.156 ( 3.101 -0.000 1.250) 3.344 3.159 ( 0.745 -0.000 -1.693) 1.850 3.200 ( -6.050 0.000 0.130) 6.052 3.225 ( 7.921 -0.000 0.327) 7.928 3.283 ( 2.897 -0.000 1.743) 3.382 3.468 ( -7.592 0.000 -0.379) 7.602 3.649 ( 0.580 -0.000 3.532) 3.579 3.814 ( -1.578 0.000 -2.108) 2.633 3.833 ( -6.654 0.000 -5.809) 8.833 4.038 ( 0.393 -0.000 2.599) 2.629 4.272 ( 0.995 -0.000 -4.049) 4.170 4.360 ( 4.789 -0.000 -12.124) 13.036 4.470 ( -6.019 0.000 10.864) 12.420 4.859 ( -1.342 0.000 1.738) 2.196 5.175 ( 0.284 -0.000 -0.670) 0.728 5.261 ( 3.005 -0.000 5.824) 6.553 5.315 ( 2.294 -0.000 -0.514) 2.351 5.414 ( -1.180 0.000 -5.275) 5.405 5.908 ( 5.655 -0.000 1.956) 5.984 5.944 ( 0.913 -0.000 2.491) 2.653 6.268 ( 2.597 -0.000 -5.249) 5.856 6.276 ( 3.886 -0.000 -1.961) 4.352 6.308 ( 2.602 -0.000 1.705) 3.111 6.481 ( 3.971 -0.000 1.258) 4.165 6.603 ( 15.254 -0.000 1.860) 15.367 6.647 ( -0.648 0.000 1.880) 1.989 6.820 ( -3.937 0.000 -3.454) 5.238 6.944 ( 7.137 -0.000 1.241) 7.245 7.270 ( 4.466 -0.000 1.560) 4.731 7.574 ( 9.511 -0.000 -0.385) 9.518 7.580 ( 14.378 -0.000 -3.100) 14.708 7.816 ( 3.908 -0.000 1.217) 4.093 7.920 ( 1.341 -0.000 -0.985) 1.664 7.922 ( 9.985 -0.000 1.424) 10.086 8.119 ( 13.397 -0.000 3.663) 13.889 8.287 ( 3.370 -0.000 -5.036) 6.059 8.596 ( -8.924 0.000 1.988) 9.143 8.711 ( -7.579 0.000 0.175) 7.581 9.618 ( -12.821 0.000 -2.372) 13.039 9.704 ( -4.342 0.000 1.640) 4.641 10.302 ( -3.833 0.000 1.196) 4.016 10.422 ( -1.408 0.000 -1.157) 1.822 10.485 ( -5.451 0.000 -0.505) 5.474 10.695 ( -3.660 0.000 1.684) 4.028 10.792 ( -1.374 0.000 -0.604) 1.501 11.267 ( 3.227 -0.000 8.632) 9.215 11.389 ( -4.147 0.000 -9.557) 10.418 11.461 ( -0.309 0.000 -2.863) 2.880 11.526 ( 0.068 -0.000 0.606) 0.610 12.264 ( 3.547 -0.000 3.812) 5.207 13.795 ( -3.203 0.000 -1.647) 3.602 14.348 ( -0.029 0.000 -0.246) 0.247 14.520 ( 3.897 -0.000 2.035) 4.397 14.672 ( -4.668 0.000 -2.438) 5.266 14.698 ( 0.142 -0.000 0.826) 0.838 14.926 ( 3.647 -0.000 -1.861) 4.094 15.225 ( 1.263 -0.000 -1.810) 2.207 15.243 ( 0.668 0.000 0.057) 0.670 15.243 ( 1.535 0.000 1.523) 2.162 15.375 ( -2.752 0.000 1.969) 3.383 15.944 ( -0.119 0.000 -1.398) 1.403 16.030 ( 2.021 -0.000 1.946) 2.805 25.094 ( 0.037 -0.000 0.073) 0.082 25.144 ( -0.000 0.000 -0.141) 0.141 25.276 ( -0.284 0.000 0.248) 0.377 25.309 ( -0.923 0.000 -0.226) 0.951 25.506 ( -1.459 0.000 0.708) 1.622 25.604 ( 1.166 -0.000 -1.467) 1.874 25.822 ( -2.296 0.000 1.755) 2.890 25.979 ( 0.168 -0.000 -1.013) 1.027 26.997 ( 3.470 -0.000 0.284) 3.482 27.249 ( 3.223 -0.000 -0.098) 3.224 28.063 ( 5.305 -0.000 -0.112) 5.306 28.813 ( 1.376 -0.000 1.080) 1.749 28.992 ( -1.813 0.000 -3.975) 4.369 29.137 ( -1.568 0.000 2.250) 2.742 29.358 ( 7.965 -0.000 1.154) 8.048 29.642 ( -14.607 0.000 -0.565) 14.618 ======================= Grid point 65 (36/138) ======================= q-point: (-0.45 -0.55 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( 0.000 -1.795 0.000) 1.795 1.040 ( 0.000 -4.562 0.000) 4.562 2.487 ( 0.000 -0.372 0.000) 0.372 2.782 ( 0.000 -0.693 0.000) 0.693 2.855 ( 0.000 -6.423 0.000) 6.423 3.021 ( 0.000 -0.115 0.000) 0.115 3.150 ( 0.000 -0.426 0.000) 0.426 3.155 ( 0.000 -0.448 0.000) 0.448 3.215 ( 0.000 -3.286 0.000) 3.286 3.265 ( 0.000 -0.347 0.000) 0.347 3.343 ( 0.000 -2.717 0.000) 2.717 3.456 ( 0.000 -2.569 0.000) 2.569 3.698 ( -0.000 3.969 -0.000) 3.969 3.708 ( 0.000 -6.743 0.000) 6.743 3.930 ( 0.000 -6.944 0.000) 6.944 4.054 ( 0.000 -1.270 0.000) 1.270 4.260 ( -0.000 3.057 -0.000) 3.057 4.447 ( 0.000 -5.885 0.000) 5.885 4.472 ( 0.000 -5.634 0.000) 5.634 4.926 ( 0.000 -8.529 0.000) 8.529 5.195 ( 0.000 -4.799 0.000) 4.799 5.320 ( -0.000 2.573 -0.000) 2.573 5.434 ( 0.000 -15.021 0.000) 15.021 5.464 ( 0.000 -9.264 0.000) 9.264 5.920 ( -0.000 0.274 -0.000) 0.274 5.980 ( 0.000 -4.068 0.000) 4.068 6.225 ( -0.000 6.759 -0.000) 6.759 6.305 ( 0.000 -1.863 0.000) 1.863 6.321 ( -0.000 1.271 -0.000) 1.271 6.533 ( 0.000 -4.916 0.000) 4.916 6.663 ( 0.000 -2.952 0.000) 2.952 6.776 ( 0.000 -0.256 0.000) 0.256 6.777 ( 0.000 -7.906 0.000) 7.906 6.992 ( 0.000 -0.315 0.000) 0.315 7.206 ( -0.000 8.512 -0.000) 8.512 7.521 ( -0.000 9.204 -0.000) 9.204 7.684 ( 0.000 -0.449 0.000) 0.449 7.731 ( -0.000 11.612 -0.000) 11.612 7.880 ( -0.000 6.475 -0.000) 6.475 7.939 ( -0.000 3.184 -0.000) 3.184 8.113 ( -0.000 8.995 -0.000) 8.995 8.208 ( -0.000 10.902 -0.000) 10.902 8.578 ( 0.000 -3.040 0.000) 3.040 8.691 ( 0.000 -1.526 0.000) 1.526 9.550 ( -0.000 0.086 -0.000) 0.086 9.703 ( 0.000 -2.758 0.000) 2.758 10.241 ( -0.000 2.662 -0.000) 2.662 10.445 ( 0.000 -3.171 0.000) 3.171 10.557 ( 0.000 -8.683 0.000) 8.683 10.669 ( -0.000 0.486 -0.000) 0.486 10.828 ( 0.000 -3.428 0.000) 3.428 11.288 ( -0.000 1.074 -0.000) 1.074 11.319 ( -0.000 0.868 -0.000) 0.868 11.423 ( -0.000 2.784 -0.000) 2.784 11.618 ( 0.000 -6.838 0.000) 6.838 12.185 ( -0.000 10.809 -0.000) 10.809 13.818 ( 0.000 -4.332 0.000) 4.332 14.345 ( -0.000 0.431 -0.000) 0.431 14.573 ( 0.000 -3.246 0.000) 3.246 14.578 ( -0.000 6.658 -0.000) 6.658 14.714 ( 0.000 -1.118 0.000) 1.118 14.907 ( -0.000 3.282 -0.000) 3.282 15.143 ( -0.000 5.391 -0.000) 5.391 15.302 ( 0.000 -1.312 0.000) 1.312 15.330 ( 0.000 -7.637 0.000) 7.637 15.390 ( 0.000 -3.940 0.000) 3.940 15.934 ( -0.000 1.145 -0.000) 1.145 16.025 ( -0.000 1.722 -0.000) 1.722 25.100 ( 0.000 -0.688 0.000) 0.688 25.142 ( -0.000 0.287 -0.000) 0.287 25.267 ( -0.000 0.887 -0.000) 0.887 25.290 ( -0.000 1.271 -0.000) 1.271 25.548 ( 0.000 -5.346 0.000) 5.346 25.656 ( 0.000 -5.200 0.000) 5.200 25.826 ( 0.000 -1.789 0.000) 1.789 25.961 ( -0.000 2.042 -0.000) 2.042 26.997 ( -0.000 1.900 -0.000) 1.900 27.238 ( -0.000 3.038 -0.000) 3.038 28.135 ( 0.000 -5.231 0.000) 5.231 28.781 ( -0.000 4.667 -0.000) 4.667 28.990 ( 0.000 -1.246 0.000) 1.246 29.122 ( -0.000 0.865 -0.000) 0.865 29.441 ( 0.000 -2.599 0.000) 2.599 29.511 ( -0.000 4.563 -0.000) 4.563 ======================= Grid point 133 (37/138) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( 2.077 -0.000 32.470) 32.537 0.637 ( 6.211 -0.000 34.873) 35.421 1.314 ( 3.612 -0.000 71.000) 71.091 1.637 ( -3.418 0.000 -23.337) 23.586 1.778 ( -3.669 0.000 -24.601) 24.873 2.148 ( -0.911 0.000 15.525) 15.551 2.331 ( 8.558 -0.000 8.876) 12.330 2.676 ( -9.564 0.000 -0.853) 9.602 2.796 ( -3.645 0.000 -6.204) 7.196 3.026 ( -15.038 0.000 16.442) 22.282 3.341 ( -2.645 0.000 -1.977) 3.302 3.436 ( 3.380 -0.000 -17.857) 18.174 3.457 ( 0.994 -0.000 -1.611) 1.893 3.620 ( -7.561 0.000 -5.865) 9.569 3.663 ( 23.133 -0.000 -3.408) 23.383 3.720 ( -0.390 0.000 -26.216) 26.219 3.912 ( -3.724 0.000 3.342) 5.004 4.023 ( 0.771 -0.000 -4.078) 4.150 4.063 ( 6.120 -0.000 8.669) 10.612 4.137 ( -20.037 0.000 7.861) 21.523 4.298 ( -1.109 0.000 2.491) 2.727 4.346 ( -3.203 0.000 -5.630) 6.477 4.419 ( 4.002 -0.000 -2.553) 4.747 4.510 ( 8.975 -0.000 -2.677) 9.366 4.573 ( 5.353 -0.000 1.058) 5.456 4.794 ( -7.414 0.000 -13.262) 15.193 5.111 ( -0.574 0.000 2.330) 2.399 5.259 ( 4.363 -0.000 -4.008) 5.925 5.403 ( 0.433 -0.000 1.271) 1.343 5.501 ( -4.074 0.000 -2.704) 4.889 5.635 ( -6.159 0.000 5.007) 7.938 5.777 ( 4.383 -0.000 -0.804) 4.456 5.963 ( 0.114 -0.000 4.865) 4.866 6.086 ( 8.996 -0.000 15.272) 17.725 6.266 ( 1.657 -0.000 0.707) 1.801 6.493 ( -5.018 0.000 -2.708) 5.702 6.607 ( -8.528 0.000 9.405) 12.696 7.185 ( 12.468 -0.000 -9.013) 15.385 7.447 ( -2.846 0.000 2.861) 4.035 7.695 ( 6.135 -0.000 -11.098) 12.681 8.561 ( 5.446 -0.000 6.558) 8.524 8.769 ( -4.904 0.000 -4.035) 6.351 9.301 ( 8.699 -0.000 3.617) 9.421 9.388 ( -37.347 0.000 -0.730) 37.354 10.115 ( -3.626 0.000 1.303) 3.853 10.178 ( 17.290 -0.000 -1.400) 17.346 10.752 ( 3.712 -0.000 3.436) 5.058 10.821 ( 0.191 -0.000 -1.517) 1.529 10.939 ( -8.944 0.000 0.065) 8.944 11.034 ( 4.757 -0.000 2.806) 5.523 11.048 ( -11.200 0.000 0.290) 11.203 11.147 ( 8.560 -0.000 -5.966) 10.434 11.471 ( -2.620 0.000 4.528) 5.231 11.614 ( 1.906 -0.000 -2.523) 3.162 12.142 ( -3.884 0.000 5.087) 6.401 12.388 ( 15.088 -0.000 -5.646) 16.110 14.275 ( 1.856 -0.000 1.517) 2.397 14.344 ( -0.302 0.000 -2.889) 2.905 14.424 ( 1.583 -0.000 -0.742) 1.749 14.444 ( -2.688 0.000 -0.062) 2.689 14.608 ( 6.200 -0.000 4.152) 7.462 14.791 ( -0.912 0.000 -4.199) 4.297 15.040 ( -0.551 0.000 2.073) 2.145 15.096 ( -6.132 0.000 -0.813) 6.185 15.149 ( -0.244 0.000 7.301) 7.305 15.518 ( -1.030 0.000 -10.492) 10.542 15.903 ( -1.136 0.000 6.260) 6.362 16.058 ( 0.514 -0.000 -2.115) 2.177 25.251 ( 2.127 -0.000 0.529) 2.192 25.287 ( -2.535 0.000 -1.065) 2.750 25.421 ( 3.141 -0.000 0.442) 3.171 25.430 ( -4.627 0.000 0.103) 4.628 25.491 ( -0.201 0.000 1.459) 1.473 25.559 ( 0.593 -0.000 -1.406) 1.526 25.921 ( -30.229 0.000 0.016) 30.229 25.922 ( 4.784 -0.000 -0.036) 4.784 26.287 ( -0.823 0.000 0.856) 1.188 26.328 ( 0.896 -0.000 -0.901) 1.270 26.796 ( 40.276 -0.000 1.033) 40.289 26.841 ( -6.733 0.000 -0.930) 6.797 29.513 ( -0.066 0.000 0.354) 0.360 29.531 ( 0.067 -0.000 -0.403) 0.409 31.296 ( -4.040 0.000 0.123) 4.042 31.302 ( 1.105 -0.000 -0.114) 1.111 ======================= Grid point 134 (38/138) ======================= q-point: ( 0.09 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( 13.873 -22.529 20.656) 33.567 1.100 ( 11.984 -22.924 28.334) 38.366 1.728 ( 10.118 -16.316 8.909) 21.165 1.768 ( 15.176 -25.790 19.730) 35.843 1.905 ( 3.921 -13.568 -21.286) 25.545 2.141 ( 0.102 0.115 12.035) 12.036 2.418 ( 11.065 0.442 8.693) 14.078 2.574 ( 5.006 2.955 1.860) 6.103 2.654 ( 1.117 8.070 -4.821) 9.466 3.088 ( 1.833 -7.341 13.374) 15.366 3.336 ( -3.040 -0.504 -2.660) 4.071 3.459 ( -4.593 -3.375 -7.701) 9.581 3.553 ( 2.418 -1.662 -3.249) 4.378 3.593 ( 3.458 -6.079 -3.789) 7.954 3.709 ( 0.823 -0.143 -19.070) 19.088 3.860 ( -0.448 -4.881 -4.283) 6.509 3.963 ( 0.372 -5.124 -8.817) 10.204 4.057 ( 2.811 -7.312 5.749) 9.717 4.154 ( 14.229 -5.641 0.266) 15.308 4.232 ( 8.845 -6.885 -2.335) 11.450 4.293 ( 3.957 -1.396 0.288) 4.206 4.400 ( 2.577 -7.688 -3.182) 8.711 4.555 ( 7.510 -5.547 -2.942) 9.789 4.647 ( 9.800 -5.672 -2.276) 11.550 4.785 ( 1.289 -8.079 -6.945) 10.731 4.863 ( 15.729 -6.142 -5.557) 17.777 5.212 ( 4.254 -8.076 1.931) 9.329 5.383 ( 3.735 -10.017 -1.460) 10.790 5.529 ( -0.185 -5.318 -2.634) 5.938 5.641 ( 10.362 -9.971 -6.518) 15.788 5.723 ( -3.455 -13.939 -2.784) 14.628 5.899 ( 4.306 -9.647 0.463) 10.575 6.058 ( 2.437 -11.242 1.515) 11.603 6.161 ( 6.622 2.446 15.844) 17.345 6.241 ( -0.966 0.464 -1.374) 1.742 6.500 ( -0.588 -3.343 -4.779) 5.862 6.609 ( -3.625 -9.497 6.429) 12.028 7.152 ( 8.194 10.752 -0.707) 13.537 7.406 ( -1.353 3.051 2.082) 3.933 7.651 ( 0.823 5.703 -1.224) 5.890 8.409 ( -9.686 11.720 4.848) 15.959 8.572 ( -0.108 10.778 0.501) 10.791 9.217 ( -12.659 -8.412 6.382) 16.485 9.660 ( -0.684 -15.842 -6.385) 17.094 10.099 ( -2.070 -1.086 -0.504) 2.391 10.300 ( 10.920 4.125 -4.657) 12.567 10.677 ( -3.823 6.992 1.751) 8.159 10.804 ( -0.484 3.000 -5.207) 6.029 10.923 ( -7.247 -3.446 1.275) 8.126 11.002 ( -1.815 -4.377 2.776) 5.492 11.051 ( 1.495 2.044 2.492) 3.553 11.331 ( 7.533 -8.493 -6.206) 12.939 11.410 ( -2.680 5.705 4.189) 7.568 11.544 ( -0.015 7.066 -1.938) 7.327 11.892 ( -10.409 8.823 6.452) 15.094 12.562 ( 7.806 1.298 -9.587) 12.431 14.238 ( -2.236 7.227 -2.178) 7.873 14.278 ( 3.390 2.419 -1.371) 4.384 14.411 ( -0.943 -0.147 1.753) 1.996 14.509 ( -2.335 -3.919 -1.862) 4.927 14.708 ( 5.808 -2.936 2.474) 6.962 14.830 ( -2.538 0.108 -0.013) 2.540 14.882 ( -5.839 0.140 6.835) 8.990 15.123 ( 0.118 -4.295 -0.146) 4.300 15.160 ( 1.324 -1.631 6.709) 7.030 15.454 ( -0.291 2.871 -1.764) 3.382 15.787 ( -0.479 5.483 3.663) 6.611 16.048 ( -2.619 1.870 -6.342) 7.112 25.243 ( -2.630 3.413 0.017) 4.308 25.304 ( 0.536 -1.975 0.983) 2.270 25.425 ( -3.757 -2.863 -2.563) 5.374 25.451 ( -2.363 -0.099 0.251) 2.378 25.502 ( -1.027 -0.404 0.433) 1.185 25.553 ( 5.604 -3.380 0.392) 6.556 25.833 ( -3.903 -3.657 2.574) 5.936 26.083 ( 7.161 -4.277 -3.455) 9.028 26.347 ( 2.772 -5.854 -0.895) 6.539 26.405 ( 6.969 -6.546 0.148) 9.562 26.741 ( -2.598 0.327 3.287) 4.202 27.538 ( 29.350 -23.225 -35.727) 51.742 29.480 ( -3.093 3.055 1.763) 4.691 29.491 ( -1.850 2.266 0.910) 3.063 30.612 ( -26.621 29.645 38.713) 55.554 31.151 ( -7.109 13.353 -2.875) 15.399 ======================= Grid point 135 (39/138) ======================= q-point: ( 0.18 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 4.025 -16.529 12.618) 21.181 1.538 ( 7.538 -20.269 18.708) 28.595 1.878 ( 0.374 -4.585 -3.217) 5.613 2.072 ( 1.056 -1.085 -1.693) 2.271 2.224 ( 7.329 -11.380 -0.403) 13.542 2.457 ( 7.785 -11.330 3.132) 14.099 2.560 ( 14.321 -0.426 1.259) 14.382 2.660 ( 10.759 -9.914 5.602) 15.666 2.780 ( 20.223 -18.256 8.618) 28.575 3.185 ( 0.664 -0.610 10.393) 10.432 3.365 ( 3.141 -3.588 0.823) 4.839 3.421 ( -4.808 -1.047 -2.240) 5.406 3.562 ( -3.581 -1.311 -1.260) 4.016 3.703 ( -2.956 -4.834 -4.088) 6.987 3.787 ( 5.206 -4.890 -4.602) 8.497 3.940 ( -0.932 -0.583 -0.651) 1.277 4.046 ( 1.263 -8.742 -17.560) 19.656 4.216 ( 2.897 -0.703 3.072) 4.280 4.294 ( 5.719 -10.832 -4.571) 13.075 4.485 ( 17.450 -5.336 -2.018) 18.359 4.628 ( 14.430 -11.729 -6.033) 19.549 4.689 ( 11.810 -16.773 -4.178) 20.934 4.736 ( 5.178 -18.007 -1.299) 18.781 4.838 ( 7.010 -5.701 0.071) 9.036 5.008 ( 6.927 -13.094 -5.085) 15.662 5.126 ( 16.387 -7.472 -1.716) 18.092 5.377 ( 4.771 -6.398 5.718) 9.818 5.615 ( 4.740 -7.688 -7.330) 11.632 5.718 ( 4.955 -17.948 2.896) 18.843 5.888 ( 5.511 -8.850 -2.837) 10.805 5.913 ( 5.962 -11.183 3.403) 13.122 6.106 ( 0.330 -3.737 2.646) 4.590 6.207 ( 5.529 -12.380 6.489) 15.031 6.300 ( -0.305 -8.604 -3.010) 9.120 6.356 ( 3.624 -18.544 -4.017) 19.317 6.619 ( 10.673 -6.364 -3.380) 12.878 6.820 ( 0.832 -14.956 -1.799) 15.087 7.094 ( 7.771 4.913 2.958) 9.658 7.330 ( 1.426 5.294 2.656) 6.092 7.557 ( 0.170 6.402 2.488) 6.870 8.130 ( -9.151 9.540 4.051) 13.826 8.426 ( 1.235 8.246 1.843) 8.539 9.203 ( -10.311 -2.621 2.367) 10.899 9.760 ( -1.717 1.643 0.626) 2.457 10.068 ( -3.512 2.846 -1.559) 4.781 10.262 ( 6.068 8.758 2.251) 10.890 10.487 ( -8.066 7.237 -4.460) 11.719 10.767 ( 3.692 4.239 -5.903) 8.152 10.826 ( -4.763 7.018 1.918) 8.695 10.951 ( -9.570 6.893 4.528) 12.633 11.055 ( -1.725 2.309 2.720) 3.963 11.225 ( -9.946 1.393 0.917) 10.085 11.490 ( 1.986 0.724 -1.032) 2.352 11.528 ( 0.864 -5.814 -1.372) 6.036 11.788 ( 0.489 -4.583 -8.216) 9.420 12.465 ( -0.234 11.839 8.014) 14.299 14.111 ( -4.291 4.116 -1.884) 6.237 14.275 ( 3.570 1.647 -3.060) 4.982 14.377 ( 0.272 1.705 -2.470) 3.014 14.572 ( 0.842 -3.730 0.649) 3.878 14.705 ( -3.369 0.730 1.128) 3.627 14.834 ( -0.511 -3.172 4.026) 5.151 14.975 ( 3.512 -4.689 -0.531) 5.883 15.185 ( -2.750 -3.953 -2.899) 5.621 15.212 ( 1.378 -1.619 8.767) 9.022 15.461 ( 2.337 -3.048 -1.211) 4.027 15.721 ( 2.483 3.140 0.493) 4.033 15.990 ( -0.319 2.474 -6.028) 6.524 25.155 ( -2.785 3.315 0.103) 4.331 25.319 ( 1.007 0.799 0.110) 1.290 25.386 ( -2.130 2.923 -0.896) 3.727 25.396 ( -7.278 -0.792 -0.049) 7.321 25.496 ( -1.080 0.723 0.833) 1.544 25.767 ( 11.070 -8.730 1.252) 14.154 25.874 ( -2.698 -4.885 0.195) 5.584 26.161 ( 1.468 -1.693 -1.167) 2.527 26.494 ( 6.625 -5.444 -0.821) 8.614 26.622 ( 19.297 2.154 -3.741) 19.774 26.794 ( -9.066 -17.047 7.464) 20.700 28.009 ( 16.341 -10.292 -26.798) 33.031 29.381 ( -3.666 3.945 6.137) 8.165 29.428 ( -3.321 2.272 0.685) 4.082 30.099 ( -15.305 11.789 26.532) 32.820 30.782 ( -10.754 18.573 -6.831) 22.522 ======================= Grid point 136 (40/138) ======================= q-point: ( 0.27 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( -6.048 -3.508 2.902) 7.570 1.851 ( -7.050 -6.933 -0.120) 9.888 1.976 ( 10.644 -9.330 11.074) 17.971 2.218 ( 8.274 -10.716 15.216) 20.367 2.443 ( 7.775 -5.932 0.182) 9.781 2.584 ( 8.057 -2.214 -7.925) 11.516 2.756 ( 9.060 -7.175 -2.791) 11.889 2.947 ( 14.038 -10.244 1.059) 17.410 3.152 ( -2.746 -2.384 4.519) 5.801 3.237 ( 9.427 -1.979 11.511) 15.010 3.371 ( -4.446 -3.436 -2.655) 6.215 3.528 ( 5.347 -1.355 4.526) 7.135 3.564 ( 1.311 -5.477 -1.616) 5.858 3.793 ( -3.704 -8.856 -1.147) 9.668 3.817 ( -0.167 1.846 -0.376) 1.891 3.992 ( 0.870 -5.420 -4.208) 6.916 4.133 ( -2.168 -2.298 -1.163) 3.367 4.272 ( 2.831 -1.533 -0.333) 3.237 4.566 ( 9.273 -8.626 -7.274) 14.605 4.709 ( 5.253 -11.709 -8.152) 15.203 4.854 ( 8.401 -3.969 -7.097) 11.692 4.911 ( 11.347 -3.571 4.202) 12.616 5.065 ( 3.340 -12.614 -0.484) 13.057 5.140 ( 5.697 -10.970 -1.867) 12.501 5.284 ( 5.984 -7.790 -3.618) 10.468 5.378 ( 9.375 -6.031 -5.916) 12.620 5.597 ( 9.935 -15.565 3.886) 18.870 5.892 ( 11.273 -15.015 -2.172) 18.901 5.967 ( 4.731 -9.623 -1.040) 10.773 6.094 ( 5.276 -5.664 6.857) 10.341 6.189 ( 6.176 -17.266 2.485) 18.504 6.281 ( 9.268 -14.184 0.656) 16.957 6.492 ( 9.633 -11.630 -0.625) 15.114 6.585 ( 3.119 -20.386 0.594) 20.632 6.742 ( 2.070 -24.852 -2.404) 25.053 6.919 ( 14.758 -11.766 -3.263) 19.154 7.057 ( 1.732 -11.264 -7.607) 13.702 7.121 ( 8.245 1.490 -0.937) 8.431 7.304 ( 7.085 0.858 6.081) 9.376 7.464 ( 3.125 4.308 3.358) 6.293 7.929 ( -6.111 5.796 6.086) 10.391 8.320 ( 1.152 5.763 0.363) 5.889 9.106 ( -6.961 4.292 0.368) 8.186 9.575 ( -8.780 12.979 4.913) 16.422 9.977 ( -2.767 3.142 -1.636) 4.495 10.157 ( 3.793 9.196 2.370) 10.226 10.297 ( -4.735 8.329 -5.956) 11.281 10.576 ( -15.865 10.896 4.448) 19.753 10.636 ( -7.757 12.197 0.007) 14.455 10.750 ( 1.703 5.458 -4.913) 7.538 10.973 ( -5.325 2.566 4.229) 7.268 11.155 ( -8.309 -0.125 -1.534) 8.451 11.383 ( 0.319 8.053 0.211) 8.062 11.667 ( -1.342 -7.320 -4.773) 8.841 11.984 ( 6.322 -10.147 -10.903) 16.180 12.259 ( -1.503 8.919 17.853) 20.013 14.016 ( -3.595 2.664 -0.418) 4.494 14.293 ( 3.895 0.613 -1.749) 4.313 14.382 ( 2.219 -0.785 -6.389) 6.809 14.620 ( 0.636 -0.526 -2.128) 2.283 14.694 ( -3.895 -3.556 2.870) 6.004 14.859 ( 0.974 -0.176 5.215) 5.308 15.064 ( 0.782 -3.648 0.014) 3.731 15.196 ( -1.161 1.674 -0.391) 2.074 15.242 ( -0.472 -3.033 2.689) 4.081 15.535 ( -0.164 -2.401 2.609) 3.549 15.766 ( 5.770 -3.935 -5.288) 8.760 15.961 ( 1.935 2.085 -2.353) 3.692 25.086 ( -2.480 1.915 -0.129) 3.136 25.293 ( 0.632 3.424 -0.128) 3.485 25.319 ( -2.284 2.489 -0.120) 3.380 25.353 ( -4.776 -1.621 0.196) 5.048 25.457 ( -1.223 2.233 0.337) 2.569 25.932 ( -1.625 -4.598 0.228) 4.882 25.995 ( 12.725 -3.223 0.426) 13.134 26.210 ( -3.612 -6.456 -0.141) 7.399 26.589 ( 5.227 1.257 0.509) 5.400 26.757 ( 10.949 -3.706 -3.933) 12.210 27.062 ( 0.585 -15.686 6.000) 16.805 28.269 ( 11.646 -6.551 -14.516) 19.730 29.292 ( -2.765 3.256 7.636) 8.749 29.359 ( -3.582 1.677 0.860) 4.048 29.836 ( -10.786 6.531 11.264) 16.908 30.372 ( -10.442 17.094 -6.916) 21.191 ======================= Grid point 137 (41/138) ======================= q-point: ( 0.36 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( -3.722 -2.724 0.842) 4.689 1.816 ( -4.214 1.333 0.668) 4.470 2.244 ( 4.617 -10.997 9.401) 15.186 2.482 ( 8.521 -9.165 14.635) 19.256 2.609 ( 8.179 -4.719 5.692) 11.025 2.703 ( 6.907 -2.590 -8.288) 11.095 2.913 ( 2.974 -4.137 -0.937) 5.181 3.148 ( -1.396 -1.711 -4.343) 4.872 3.217 ( 9.377 -5.825 -1.241) 11.109 3.299 ( 0.215 -5.593 4.833) 7.395 3.400 ( 1.567 0.061 1.660) 2.283 3.518 ( 1.641 2.055 4.021) 4.805 3.666 ( -0.847 -2.323 -3.701) 4.450 3.766 ( 0.097 3.422 0.728) 3.500 3.899 ( -1.397 -5.094 1.555) 5.506 4.084 ( -2.350 -2.943 -6.189) 7.245 4.133 ( -0.984 -2.138 3.006) 3.818 4.265 ( -1.108 2.167 3.146) 3.978 4.697 ( 3.862 -1.660 -3.999) 5.802 4.896 ( 1.288 -0.948 -5.261) 5.499 4.989 ( 5.609 -10.713 -4.841) 13.026 5.112 ( 11.778 -0.267 -0.128) 11.782 5.219 ( 0.712 -5.021 3.238) 6.016 5.271 ( 1.710 -4.177 -3.066) 5.456 5.400 ( -1.381 -3.608 -5.609) 6.811 5.493 ( 4.756 -4.745 -8.427) 10.777 5.966 ( 5.302 -10.692 0.916) 11.970 6.109 ( 5.095 -10.071 0.833) 11.317 6.260 ( 5.370 -12.017 5.143) 14.131 6.314 ( 9.791 -11.465 5.042) 15.897 6.565 ( 2.573 -11.702 -0.950) 12.019 6.620 ( 15.097 -17.806 0.526) 23.350 6.738 ( 7.903 -3.965 -0.233) 8.844 6.890 ( 6.281 -8.988 -0.216) 10.967 7.056 ( 1.977 -6.319 -0.616) 6.649 7.198 ( 2.755 -4.171 -6.852) 8.482 7.215 ( 3.323 -17.254 -2.166) 17.704 7.285 ( 4.813 -9.047 0.703) 10.272 7.416 ( 4.650 -6.600 1.660) 8.243 7.667 ( 21.041 -14.264 2.335) 25.527 7.851 ( 0.779 -2.676 5.450) 6.121 8.253 ( 1.121 3.811 -0.580) 4.015 8.930 ( -4.391 9.824 -0.836) 10.794 9.260 ( -10.912 11.424 3.717) 16.229 9.871 ( -2.656 6.989 0.691) 7.509 10.063 ( 4.043 8.201 1.871) 9.333 10.117 ( -2.588 6.152 -7.981) 10.405 10.234 ( -16.287 9.191 5.107) 19.386 10.363 ( -7.828 11.150 -0.084) 13.623 10.634 ( -2.802 9.163 -2.119) 9.814 10.878 ( -6.271 1.942 6.192) 9.024 11.058 ( -5.428 1.967 -3.968) 7.006 11.299 ( 1.040 2.876 -0.540) 3.106 11.685 ( -5.530 0.948 -5.035) 7.539 12.085 ( 3.647 1.803 2.642) 4.851 12.296 ( 3.945 -8.939 3.786) 10.479 13.955 ( -1.928 1.475 1.762) 2.999 14.320 ( 3.509 0.769 0.867) 3.695 14.430 ( 1.475 -2.463 -8.119) 8.611 14.610 ( -1.405 0.634 -4.159) 4.435 14.732 ( -2.470 -4.119 5.151) 7.043 14.888 ( 3.961 -0.502 5.745) 6.996 15.116 ( -2.557 2.474 -0.976) 3.689 15.125 ( -1.568 -1.648 0.206) 2.284 15.289 ( 1.014 -1.542 0.651) 1.957 15.551 ( -0.552 -0.675 2.488) 2.636 15.895 ( 2.602 -3.502 -8.792) 9.815 15.959 ( 3.825 0.012 2.266) 4.446 25.042 ( -1.939 0.853 0.081) 2.120 25.234 ( -1.402 2.563 -1.389) 3.235 25.264 ( -1.031 2.065 1.236) 2.619 25.347 ( -1.414 -0.825 0.015) 1.637 25.411 ( -0.936 1.804 0.218) 2.043 25.983 ( -0.700 -2.761 -0.376) 2.873 26.105 ( 8.312 1.461 0.400) 8.449 26.317 ( -2.371 -8.592 0.371) 8.921 26.600 ( 2.801 1.434 0.277) 3.159 26.916 ( 7.062 -3.939 -2.750) 8.541 27.284 ( 1.412 -9.414 3.864) 10.274 28.471 ( 9.245 -5.795 -6.675) 12.791 29.216 ( -2.040 3.013 7.192) 8.060 29.314 ( -2.369 0.283 1.378) 2.756 29.649 ( -8.531 5.340 0.904) 10.105 30.040 ( -7.323 11.456 -3.893) 14.143 ======================= Grid point 138 (42/138) ======================= q-point: ( 0.45 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( -1.073 -4.030 1.977) 4.615 1.746 ( -0.742 3.877 0.349) 3.962 2.417 ( -0.649 -6.664 9.447) 11.579 2.603 ( 1.016 1.819 3.963) 4.477 2.731 ( 5.542 -1.891 13.941) 15.121 2.817 ( 6.108 -3.875 -2.960) 7.816 2.996 ( 0.056 -4.070 -2.098) 4.579 3.177 ( -1.307 -3.049 -6.381) 7.192 3.302 ( 0.954 -1.292 -0.656) 1.735 3.397 ( 2.143 0.715 0.353) 2.286 3.420 ( -1.111 -3.026 2.467) 4.059 3.483 ( 3.326 6.216 2.845) 7.602 3.670 ( -3.634 -2.462 -5.221) 6.821 3.729 ( 0.155 0.337 0.326) 0.494 3.936 ( 1.610 0.415 -1.228) 2.067 4.009 ( -4.950 2.207 -2.567) 5.997 4.198 ( -0.458 -2.544 1.761) 3.127 4.260 ( 4.349 -0.848 10.926) 11.790 4.742 ( 1.374 -1.326 -3.525) 4.009 4.889 ( -1.180 1.584 -6.787) 7.068 5.098 ( -2.136 -0.694 -5.964) 6.373 5.201 ( 6.807 -2.103 0.453) 7.139 5.291 ( 2.441 0.753 -1.227) 2.834 5.334 ( -0.376 -2.592 -3.356) 4.257 5.379 ( -2.907 0.033 -0.332) 2.926 5.635 ( 2.472 -4.948 -12.045) 13.254 6.045 ( -1.280 -0.153 9.262) 9.351 6.286 ( 1.863 -3.582 0.413) 4.059 6.500 ( 5.320 -9.619 -0.292) 10.996 6.525 ( 4.281 -3.312 6.402) 8.383 6.717 ( 1.180 -3.084 0.849) 3.410 6.759 ( -0.486 -1.159 -0.060) 1.258 6.957 ( 4.041 -9.644 -1.122) 10.516 7.029 ( 6.827 0.737 -1.577) 7.045 7.153 ( -0.217 1.341 -0.885) 1.621 7.291 ( 4.080 -7.195 -2.853) 8.750 7.332 ( -0.288 -1.197 2.200) 2.521 7.396 ( 0.241 -0.698 -2.437) 2.547 7.681 ( 2.885 -10.465 -0.435) 10.864 7.902 ( 3.388 -3.602 -2.199) 5.412 8.191 ( 9.694 -10.649 -1.020) 14.436 8.232 ( 4.066 -5.138 8.037) 10.370 8.729 ( -2.515 7.548 0.643) 7.982 9.009 ( -6.943 8.072 -0.377) 10.653 9.747 ( -0.076 4.383 0.546) 4.417 9.902 ( 0.295 7.627 0.045) 7.633 10.004 ( -10.585 2.516 5.276) 12.092 10.125 ( 4.983 -1.227 -6.147) 8.008 10.154 ( -3.757 5.180 -0.586) 6.426 10.432 ( -5.243 6.834 -0.313) 8.619 10.799 ( -4.715 0.932 7.104) 8.577 11.016 ( 0.571 0.603 -4.581) 4.655 11.294 ( 1.424 -0.762 -1.032) 1.916 11.589 ( -5.257 2.632 -2.181) 6.271 12.089 ( 1.834 1.790 2.928) 3.891 12.465 ( 3.106 -6.100 -0.609) 6.872 13.931 ( -0.576 -0.053 3.761) 3.805 14.325 ( 1.519 1.643 1.194) 2.536 14.466 ( -0.793 -0.642 -7.719) 7.786 14.590 ( -1.083 -0.302 -3.195) 3.387 14.774 ( -0.389 -1.722 6.153) 6.401 14.931 ( 1.740 0.378 1.912) 2.613 15.032 ( 1.332 2.301 -0.824) 2.783 15.167 ( -3.045 -4.180 2.283) 5.652 15.305 ( 1.094 0.801 -0.279) 1.385 15.555 ( -0.253 -0.179 0.234) 0.388 15.888 ( -0.500 2.513 -0.106) 2.564 16.047 ( 2.818 -3.510 -4.293) 6.220 25.019 ( -0.713 0.293 0.525) 0.933 25.191 ( -1.153 1.026 -1.461) 2.125 25.235 ( 0.105 0.793 0.686) 1.054 25.347 ( -0.383 -0.234 0.100) 0.460 25.385 ( -0.267 0.498 0.331) 0.655 26.008 ( -0.214 -0.733 -0.591) 0.965 26.138 ( 2.696 0.528 0.540) 2.800 26.408 ( -0.474 -3.351 0.284) 3.396 26.603 ( 0.895 0.376 0.200) 0.991 27.005 ( 2.517 -1.020 -2.195) 3.492 27.403 ( 0.549 -3.731 2.768) 4.678 28.609 ( 3.525 -1.877 -2.046) 4.487 29.180 ( 0.790 -0.249 4.925) 4.994 29.301 ( -0.745 -0.285 2.070) 2.219 29.496 ( -5.127 3.897 -4.235) 7.708 29.866 ( -2.449 3.766 -1.306) 4.679 ======================= Grid point 139 (43/138) ======================= q-point: (-0.45 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( 0.693 -4.494 3.815) 5.936 1.684 ( 2.687 4.341 -1.587) 5.346 2.402 ( -4.864 4.788 10.625) 12.629 2.587 ( -3.048 -1.949 1.477) 3.907 2.734 ( -2.162 5.596 14.204) 15.419 2.884 ( 0.252 -0.677 -2.276) 2.388 2.972 ( -2.529 5.480 -4.490) 7.522 3.205 ( 0.253 3.050 1.410) 3.369 3.320 ( -5.376 -0.538 -3.204) 6.281 3.346 ( 0.792 3.307 -1.334) 3.653 3.390 ( -2.307 -0.530 0.680) 2.462 3.450 ( -1.969 -1.240 1.907) 3.008 3.686 ( 1.144 -0.360 -1.906) 2.252 3.750 ( 0.423 -1.788 -1.298) 2.249 3.940 ( 3.980 1.906 1.479) 4.654 3.987 ( 2.664 -0.396 -4.052) 4.865 4.201 ( -2.792 -0.271 2.257) 3.600 4.345 ( 6.898 -0.885 10.826) 12.868 4.765 ( -0.425 -0.544 -2.410) 2.507 4.829 ( -2.996 2.914 -7.138) 8.271 5.072 ( -2.865 0.510 -7.544) 8.086 5.196 ( -4.406 4.259 -1.518) 6.313 5.277 ( 3.839 2.426 -0.237) 4.547 5.349 ( -3.410 -1.546 -7.711) 8.572 5.370 ( -0.841 0.849 2.870) 3.109 5.660 ( -3.730 0.461 -9.980) 10.664 5.999 ( -0.037 4.693 8.983) 10.135 6.269 ( -3.758 4.145 -2.701) 6.213 6.516 ( -2.848 8.557 8.033) 12.077 6.625 ( -0.435 3.637 0.990) 3.794 6.643 ( 1.464 2.005 1.152) 2.737 6.780 ( -4.418 -2.130 2.119) 5.342 7.007 ( -2.256 2.352 -6.664) 7.418 7.042 ( -1.364 6.095 -0.316) 6.254 7.125 ( -6.931 -1.168 0.434) 7.042 7.236 ( -1.898 9.610 -0.656) 9.818 7.335 ( -1.319 -0.995 0.078) 1.654 7.431 ( 0.205 0.264 -2.375) 2.399 7.663 ( -3.647 12.035 -0.214) 12.577 7.863 ( -3.017 5.945 -1.063) 6.751 8.125 ( -12.851 13.025 2.354) 18.448 8.342 ( 0.303 -1.356 3.479) 3.746 8.801 ( 3.937 -7.669 2.156) 8.886 8.931 ( 4.795 -5.611 -1.643) 7.561 9.753 ( 2.576 -3.236 0.404) 4.156 9.903 ( 7.984 -2.199 -0.207) 8.284 9.934 ( -7.676 -5.269 2.915) 9.756 10.147 ( 3.468 -5.273 -0.417) 6.325 10.211 ( 4.847 -3.004 -3.909) 6.914 10.431 ( 6.910 -6.327 -0.280) 9.373 10.771 ( -1.144 -1.359 6.707) 6.938 11.030 ( 3.398 0.175 -3.869) 5.152 11.347 ( 1.810 -3.301 -0.852) 3.860 11.514 ( -4.012 1.012 -2.223) 4.697 12.042 ( -0.896 4.527 2.456) 5.228 12.546 ( 1.204 -1.071 -0.280) 1.635 13.947 ( 0.511 -1.872 4.347) 4.761 14.295 ( -0.963 2.129 -0.458) 2.381 14.434 ( -1.873 2.102 -5.762) 6.413 14.589 ( -1.162 -0.088 -3.010) 3.227 14.763 ( -0.336 2.010 4.428) 4.875 14.912 ( 1.707 2.149 1.989) 3.389 15.082 ( 1.698 -3.522 -0.470) 3.938 15.209 ( 0.359 -2.695 3.376) 4.335 15.289 ( -0.480 1.073 -0.944) 1.508 15.543 ( -0.262 1.842 0.109) 1.863 15.840 ( -1.753 1.309 -1.110) 2.454 16.093 ( -0.354 -0.303 -3.365) 3.398 25.021 ( 1.153 -0.261 0.553) 1.305 25.178 ( -0.410 -0.351 -1.173) 1.291 25.244 ( 0.742 -1.342 0.379) 1.580 25.346 ( 0.333 0.290 0.101) 0.453 25.389 ( 0.417 -0.760 0.319) 0.923 26.003 ( -0.095 1.112 -0.546) 1.243 26.144 ( -1.757 -0.692 0.494) 1.952 26.410 ( 0.004 2.926 0.286) 2.940 26.603 ( -0.970 -0.401 0.206) 1.069 26.993 ( -2.149 2.632 -2.049) 3.968 27.426 ( -0.342 0.851 2.652) 2.806 28.569 ( -5.280 5.135 -1.836) 7.590 29.221 ( 1.661 -1.228 4.904) 5.321 29.301 ( 0.312 -0.053 2.425) 2.446 29.491 ( 4.692 -4.886 -4.783) 8.292 29.856 ( 2.083 -2.640 -1.340) 3.620 ======================= Grid point 140 (44/138) ======================= q-point: (-0.36 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( 6.132 4.363 1.303) 7.638 1.695 ( 1.263 -2.876 -0.068) 3.142 2.247 ( -7.010 6.059 11.208) 14.542 2.505 ( -6.645 12.275 15.311) 20.718 2.565 ( -7.344 2.077 1.349) 7.750 2.786 ( -6.012 8.059 -9.063) 13.536 2.849 ( -4.239 6.435 -0.701) 7.737 3.085 ( -4.808 6.644 2.708) 8.636 3.220 ( -5.240 1.014 -3.506) 6.385 3.326 ( -5.238 -0.121 2.183) 5.676 3.404 ( 1.506 0.440 2.481) 2.935 3.489 ( 0.989 -3.515 2.625) 4.497 3.702 ( 3.793 1.495 -3.366) 5.288 3.755 ( -3.253 1.068 1.999) 3.965 3.947 ( 5.520 2.842 0.960) 6.282 4.024 ( 3.094 1.147 -3.235) 4.621 4.179 ( -1.595 -0.768 -0.345) 1.803 4.383 ( 4.582 3.847 6.033) 8.496 4.693 ( -7.995 7.163 -10.632) 15.109 4.742 ( -3.832 2.353 2.557) 5.173 4.977 ( -6.138 6.621 -9.118) 12.832 5.089 ( -4.583 2.414 2.918) 5.945 5.247 ( 0.806 4.974 -4.319) 6.636 5.303 ( -4.580 1.825 -7.937) 9.344 5.325 ( -1.466 2.277 4.122) 4.932 5.595 ( -6.762 0.380 -8.253) 10.676 5.878 ( -1.303 9.659 3.757) 10.445 6.080 ( -7.577 12.153 -5.434) 15.318 6.193 ( -12.844 17.387 6.306) 22.518 6.414 ( -2.316 12.476 6.076) 14.069 6.646 ( -12.884 8.730 2.196) 15.717 6.702 ( -10.551 18.607 3.484) 21.672 6.751 ( -1.900 -0.215 -1.547) 2.459 6.906 ( -3.777 15.209 0.558) 15.681 6.972 ( -2.851 2.073 -7.835) 8.592 7.105 ( -5.881 5.376 -1.302) 8.074 7.188 ( -3.193 21.844 -1.546) 22.130 7.368 ( -4.831 9.265 -2.000) 10.639 7.414 ( -4.420 -0.272 0.473) 4.454 7.646 ( -18.832 13.091 3.075) 23.141 7.822 ( -1.277 0.042 5.243) 5.397 8.327 ( -1.691 1.214 -0.534) 2.150 8.958 ( 5.145 -8.357 -0.995) 9.864 9.206 ( 10.280 -12.951 3.954) 17.001 9.863 ( 1.213 -6.509 0.638) 6.651 9.960 ( 1.756 -3.449 -0.677) 3.930 10.140 ( 7.921 -11.622 -1.535) 14.148 10.353 ( 7.176 -10.661 0.106) 12.851 10.378 ( 8.251 -11.082 0.662) 13.832 10.646 ( 5.672 -8.187 -1.629) 10.092 10.854 ( 3.503 -7.822 5.762) 10.327 11.075 ( 8.069 0.678 -3.386) 8.777 11.403 ( 0.794 -0.047 3.879) 3.960 11.482 ( -4.043 -2.559 -9.143) 10.320 11.928 ( -2.536 6.894 3.329) 8.065 12.524 ( -1.370 3.650 2.792) 4.795 14.004 ( 1.463 -3.592 2.720) 4.737 14.251 ( -1.263 1.224 -2.641) 3.173 14.380 ( -1.746 1.515 -4.404) 4.974 14.561 ( -1.342 1.589 -2.942) 3.603 14.737 ( 1.407 1.435 4.247) 4.698 14.893 ( 1.126 2.141 2.762) 3.671 15.109 ( 0.592 1.818 0.970) 2.144 15.236 ( -3.287 -0.073 -1.321) 3.544 15.324 ( 4.033 -5.093 2.191) 6.856 15.478 ( -1.248 5.011 1.395) 5.349 15.828 ( -1.612 -1.872 -4.504) 5.137 16.043 ( -3.553 4.023 -1.511) 5.576 25.050 ( 2.691 -1.046 0.122) 2.890 25.192 ( -0.123 -1.560 -0.562) 1.663 25.292 ( 1.728 -2.833 0.428) 3.346 25.346 ( 1.270 0.600 -0.045) 1.406 25.417 ( 0.976 -1.700 0.217) 1.972 25.969 ( -0.064 2.878 -0.287) 2.893 26.124 ( -6.963 -1.555 0.301) 7.141 26.316 ( 1.812 8.790 0.384) 8.983 26.600 ( -3.021 -1.705 0.295) 3.482 26.882 ( -5.640 5.782 -2.203) 8.372 27.370 ( -1.523 5.008 3.626) 6.368 28.372 ( -9.739 8.826 -6.096) 14.488 29.256 ( 1.524 -1.924 5.718) 6.222 29.317 ( 2.015 -0.482 1.613) 2.626 29.678 ( 8.800 -7.090 2.025) 11.481 30.009 ( 7.408 -10.884 -4.683) 13.974 ======================= Grid point 141 (45/138) ======================= q-point: (-0.27 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( 5.540 7.635 3.023) 9.906 1.718 ( 0.374 2.405 0.049) 2.435 2.084 ( -8.205 4.936 9.342) 13.378 2.198 ( -3.584 15.500 21.284) 26.573 2.431 ( -9.669 5.187 -3.978) 11.671 2.598 ( -5.679 7.131 -8.794) 12.667 2.647 ( -8.228 7.985 -3.079) 11.872 2.920 ( -12.035 2.999 3.958) 13.019 3.144 ( -7.413 2.682 3.703) 8.710 3.252 ( -3.914 7.441 4.547) 9.558 3.406 ( 2.721 1.704 0.734) 3.294 3.552 ( 1.048 -0.909 4.001) 4.234 3.594 ( -8.396 8.803 3.632) 12.695 3.710 ( 3.227 2.040 -3.616) 5.259 3.921 ( 4.149 6.044 0.363) 7.340 4.002 ( -2.711 0.805 -0.037) 2.828 4.190 ( 1.221 1.217 -9.646) 9.799 4.297 ( -2.610 6.478 4.568) 8.345 4.476 ( -6.372 6.897 -16.500) 18.985 4.606 ( -5.337 8.685 2.226) 10.434 4.785 ( -8.601 6.981 -3.288) 11.555 4.970 ( -7.580 5.637 1.889) 9.633 5.096 ( -4.533 9.754 -5.763) 12.203 5.208 ( -5.411 6.823 -3.298) 9.312 5.235 ( -9.254 7.014 2.525) 11.883 5.451 ( -13.226 8.902 -10.889) 19.307 5.604 ( -6.746 15.431 4.995) 17.566 5.791 ( -7.631 15.700 -3.478) 17.799 5.832 ( -5.182 6.500 2.029) 8.557 6.178 ( -12.270 10.795 4.456) 16.939 6.221 ( -4.295 16.514 2.067) 17.188 6.350 ( -11.006 17.618 2.189) 20.888 6.516 ( -2.402 20.186 -1.426) 20.378 6.570 ( -6.292 17.369 1.294) 18.518 6.698 ( -10.506 21.267 -2.359) 23.837 6.965 ( -2.904 3.052 -4.281) 6.006 7.041 ( -6.022 1.289 3.435) 7.051 7.088 ( -8.244 9.973 -10.258) 16.513 7.355 ( -4.978 -0.759 6.132) 7.935 7.454 ( -4.577 -1.889 2.118) 5.386 7.946 ( 6.109 -9.270 6.321) 12.775 8.322 ( -0.788 -2.755 0.199) 2.873 9.146 ( 6.552 -6.192 0.634) 9.037 9.508 ( 9.568 -10.863 4.501) 15.159 9.972 ( -0.621 -6.023 -1.813) 6.320 10.057 ( 3.420 -4.534 0.529) 5.704 10.376 ( 3.730 -9.555 -2.648) 10.594 10.604 ( 4.615 -12.140 0.119) 12.989 10.709 ( 19.232 -7.309 0.256) 20.576 10.808 ( 2.605 -10.947 0.327) 11.258 11.025 ( -2.631 -8.400 4.257) 9.778 11.195 ( 15.854 -1.674 -3.072) 16.236 11.364 ( -2.039 1.762 3.429) 4.362 11.495 ( -5.088 -3.255 -12.625) 13.996 11.780 ( -2.663 7.454 2.491) 8.298 12.405 ( -4.641 6.847 8.492) 11.855 14.088 ( 1.209 -4.462 -0.631) 4.666 14.240 ( 1.203 -0.203 -0.944) 1.543 14.365 ( -0.068 -0.668 -7.070) 7.102 14.529 ( -0.768 0.046 -0.554) 0.948 14.740 ( 2.934 1.312 3.904) 5.057 14.866 ( -0.763 0.910 2.814) 3.054 15.060 ( 2.337 4.912 0.047) 5.439 15.183 ( -4.757 1.447 -0.028) 4.973 15.364 ( -1.605 6.214 3.126) 7.139 15.471 ( 3.205 -7.121 0.214) 7.812 15.845 ( -5.392 -0.515 -1.785) 5.703 15.908 ( -1.456 5.292 -4.414) 7.044 25.105 ( 3.360 -1.891 -0.158) 3.859 25.224 ( -0.634 -2.632 -0.043) 2.708 25.346 ( 5.550 2.029 0.217) 5.913 25.372 ( 0.374 -4.085 -0.241) 4.109 25.460 ( 1.239 -2.092 0.380) 2.461 25.905 ( -1.112 4.441 0.251) 4.585 26.026 ( -9.665 4.363 0.418) 10.612 26.206 ( 3.575 5.812 -0.162) 6.826 26.599 ( -6.354 -3.241 0.766) 7.173 26.709 ( -6.259 7.257 -2.884) 10.008 27.223 ( -3.657 10.058 6.297) 12.417 28.103 ( -10.985 11.099 -14.608) 21.383 29.320 ( 2.044 -3.330 6.027) 7.182 29.358 ( 3.406 -1.321 0.678) 3.715 29.879 ( 9.392 -7.178 12.851) 17.461 30.343 ( 11.415 -17.144 -8.207) 22.172 ======================= Grid point 142 (46/138) ======================= q-point: (-0.18 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( -3.513 19.583 12.930) 23.728 1.520 ( -9.816 17.613 11.836) 23.381 1.947 ( 3.608 6.137 7.492) 10.335 2.027 ( -6.236 5.164 4.297) 9.166 2.222 ( -6.306 7.792 -8.504) 13.146 2.412 ( -8.378 8.022 -2.518) 11.869 2.492 ( -4.847 5.327 1.913) 7.452 2.674 ( -15.594 24.223 15.210) 32.577 2.827 ( -21.188 1.429 -2.751) 21.413 3.067 ( -3.036 2.311 10.002) 10.705 3.399 ( 6.535 4.091 -4.149) 8.755 3.464 ( -1.412 0.266 4.118) 4.361 3.591 ( 0.071 0.004 2.131) 2.132 3.704 ( -0.956 0.120 -2.023) 2.240 3.818 ( -0.434 8.588 -1.996) 8.828 3.950 ( -4.153 2.197 -4.263) 6.344 4.114 ( -3.521 4.347 -18.617) 19.440 4.199 ( -2.365 2.851 -2.998) 4.765 4.348 ( -3.443 6.543 -7.180) 10.306 4.380 ( -3.977 9.685 0.082) 10.470 4.579 ( -13.711 6.051 3.222) 15.329 4.689 ( -12.916 20.262 0.444) 24.032 4.781 ( -15.471 10.346 -0.648) 18.623 4.874 ( -8.968 15.023 -7.387) 18.991 4.989 ( -9.022 11.656 -4.171) 15.318 5.157 ( -12.715 8.359 -3.087) 15.527 5.357 ( -4.975 8.140 4.744) 10.654 5.527 ( -0.050 12.990 -3.785) 13.530 5.724 ( -3.076 6.687 -1.684) 7.550 5.931 ( -5.660 6.243 8.541) 11.998 5.942 ( -9.064 10.246 -0.870) 13.708 6.061 ( 2.656 11.900 -2.056) 12.365 6.145 ( -4.567 16.263 4.278) 17.425 6.257 ( -8.032 11.991 -5.810) 15.558 6.334 ( -2.239 13.438 -1.480) 13.704 6.785 ( -11.817 6.756 -3.420) 14.035 6.835 ( -3.590 7.452 4.730) 9.528 7.041 ( -1.467 1.722 -2.229) 3.176 7.392 ( -0.806 -5.086 3.452) 6.200 7.493 ( 0.323 -4.397 2.491) 5.063 8.205 ( 8.157 -12.137 3.158) 14.960 8.408 ( -1.286 -8.857 2.218) 9.221 9.262 ( 8.086 1.260 3.054) 8.735 9.728 ( 7.022 -5.329 0.505) 8.830 10.043 ( 0.086 -2.565 -3.276) 4.161 10.159 ( 0.345 -4.825 2.443) 5.419 10.539 ( 2.980 -6.367 -3.619) 7.907 10.804 ( -1.174 -8.742 -3.893) 9.642 10.874 ( 8.541 -2.504 -1.058) 8.963 11.066 ( 0.547 1.534 1.621) 2.298 11.080 ( 6.509 -3.388 11.002) 13.225 11.259 ( 5.101 0.008 0.671) 5.145 11.472 ( -4.657 -6.976 -8.039) 11.618 11.541 ( 3.449 -5.309 3.355) 7.166 11.664 ( 3.257 -2.839 -13.845) 14.503 12.232 ( -6.718 6.292 12.676) 15.665 14.159 ( -0.522 -3.871 -3.084) 4.977 14.289 ( 4.028 -2.480 3.930) 6.150 14.359 ( 0.450 1.943 -8.296) 8.532 14.566 ( 0.367 -3.056 1.271) 3.330 14.718 ( 1.155 4.393 0.220) 4.548 14.870 ( -0.490 -2.028 4.803) 5.237 15.016 ( 3.612 3.357 -0.576) 4.965 15.107 ( -2.532 2.909 0.815) 3.942 15.247 ( -3.286 4.529 1.974) 5.934 15.618 ( 2.712 -7.083 2.189) 7.894 15.660 ( -8.881 7.988 1.335) 12.019 15.939 ( 3.271 -2.782 -8.048) 9.121 25.174 ( 3.328 -2.428 0.113) 4.121 25.264 ( -0.944 -2.829 -0.089) 2.984 25.368 ( 6.795 1.982 -0.008) 7.079 25.441 ( 1.422 -2.321 -0.740) 2.821 25.507 ( 1.038 -2.108 0.802) 2.483 25.756 ( -8.477 8.497 1.105) 12.053 25.879 ( 0.958 5.595 0.231) 5.681 26.181 ( 0.049 0.037 -0.946) 0.948 26.508 ( -7.827 5.371 -0.681) 9.517 26.609 ( -9.030 -3.682 -2.290) 10.017 26.964 ( -4.733 15.771 8.981) 18.756 27.773 ( -10.905 16.605 -27.674) 34.066 29.402 ( 2.398 -3.738 4.764) 6.513 29.424 ( 3.579 -2.264 0.392) 4.253 30.143 ( 12.507 -13.221 27.068) 32.618 30.759 ( 12.030 -18.170 -7.937) 23.192 ======================= Grid point 143 (47/138) ======================= q-point: (-0.09 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( -10.454 24.708 21.077) 34.118 1.033 ( -13.044 26.472 21.416) 36.463 1.643 ( -8.823 32.640 48.617) 59.218 1.793 ( -12.585 6.604 -20.598) 25.025 1.985 ( -9.384 12.369 -18.818) 24.396 2.164 ( -2.557 1.995 12.689) 13.096 2.288 ( 1.419 3.091 8.306) 8.975 2.582 ( -1.888 -9.368 0.329) 9.563 2.760 ( -12.138 -8.068 -5.488) 15.574 3.061 ( -0.440 -2.648 16.008) 16.232 3.388 ( 2.644 3.001 -4.617) 6.108 3.445 ( -1.628 2.039 -0.590) 2.675 3.549 ( -1.671 3.745 -1.274) 4.295 3.631 ( 0.004 7.942 -3.009) 8.493 3.703 ( -3.488 1.672 -13.830) 14.360 3.837 ( -1.501 6.950 -13.772) 15.499 4.023 ( -3.207 1.096 -10.928) 11.442 4.040 ( -9.021 10.468 2.044) 13.969 4.164 ( -4.395 7.687 -1.871) 9.050 4.222 ( -11.395 -1.596 3.894) 12.147 4.362 ( -1.619 3.233 1.390) 3.874 4.425 ( -8.872 3.931 0.623) 9.724 4.501 ( -5.776 8.929 -5.243) 11.857 4.599 ( -1.044 11.059 -5.074) 12.212 4.730 ( -11.873 7.102 -4.437) 14.529 4.929 ( -10.355 5.078 -7.206) 13.600 5.208 ( -4.447 5.458 3.074) 7.682 5.331 ( 1.622 10.222 -2.323) 10.607 5.543 ( -1.593 9.665 -4.833) 10.922 5.686 ( -11.366 9.390 -2.104) 14.892 5.788 ( -0.772 7.324 -2.191) 7.684 5.877 ( -6.744 11.650 -5.141) 14.410 6.015 ( 3.927 4.682 9.370) 11.187 6.038 ( 1.295 5.984 4.569) 7.639 6.222 ( 1.622 -0.173 -1.741) 2.386 6.600 ( -4.617 6.310 -3.919) 8.746 6.696 ( -8.203 1.683 14.714) 16.929 7.036 ( 4.367 -1.668 -2.848) 5.474 7.451 ( -2.672 -3.231 3.633) 5.548 7.589 ( 5.268 -3.488 -1.537) 6.503 8.433 ( 5.246 -6.490 1.718) 8.520 8.616 ( -1.086 -16.347 0.918) 16.409 9.260 ( 6.890 6.585 5.967) 11.245 9.788 ( -1.451 4.740 -12.082) 13.059 10.068 ( 4.343 0.760 0.104) 4.410 10.184 ( -3.279 1.089 0.376) 3.476 10.654 ( 2.791 -4.745 -1.282) 5.652 10.867 ( -1.282 0.304 -4.385) 4.579 10.965 ( 7.798 2.444 -0.002) 8.172 11.017 ( -1.565 0.330 5.199) 5.440 11.071 ( -0.622 1.201 3.140) 3.419 11.289 ( -8.754 4.236 -8.368) 12.830 11.465 ( -2.130 -1.225 3.224) 4.054 11.545 ( -1.533 -5.787 -4.062) 7.234 12.022 ( 3.687 -11.433 12.835) 17.579 12.178 ( 11.229 -6.360 -5.840) 14.165 14.224 ( 0.478 -4.167 -0.874) 4.285 14.325 ( -1.796 0.122 -5.318) 5.615 14.376 ( 4.714 -1.355 3.330) 5.929 14.558 ( -1.986 3.780 0.958) 4.376 14.630 ( 0.662 5.906 0.744) 5.989 14.860 ( -1.753 4.047 -2.544) 5.091 15.018 ( -0.980 -2.199 5.673) 6.163 15.075 ( 2.795 -0.291 2.695) 3.894 15.173 ( -3.089 0.953 1.680) 3.643 15.504 ( -3.565 1.190 -1.072) 3.908 15.764 ( 3.242 -7.211 5.363) 9.553 16.029 ( 4.746 -2.597 -6.860) 8.737 25.238 ( 3.305 -0.424 0.029) 3.332 25.289 ( -0.594 -1.373 0.920) 1.756 25.413 ( 4.133 -0.092 -1.388) 4.361 25.471 ( 2.375 0.589 0.527) 2.503 25.536 ( -5.980 4.783 0.629) 7.683 25.546 ( 1.159 1.642 -1.484) 2.498 25.845 ( 0.370 -0.872 1.921) 2.141 26.189 ( -3.510 -2.085 -3.730) 5.530 26.369 ( -2.859 4.341 -1.346) 5.369 26.506 ( -31.430 -1.183 -8.162) 32.494 26.686 ( 11.526 15.576 10.591) 22.082 27.279 ( -8.811 30.608 -29.779) 43.603 29.485 ( 2.410 -2.479 1.053) 3.614 29.490 ( 1.941 -2.496 1.083) 3.342 30.657 ( 21.085 -31.492 37.764) 53.502 31.133 ( 8.917 -13.025 -3.764) 16.227 ======================= Grid point 145 (48/138) ======================= q-point: ( 0.09 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( 25.383 -0.000 26.445) 36.655 1.042 ( 21.637 -0.000 24.107) 32.393 1.715 ( 34.080 -0.000 52.260) 62.390 1.789 ( 11.611 -0.000 -17.217) 20.766 1.835 ( 9.593 -0.000 -25.941) 27.658 2.157 ( -0.348 0.000 10.229) 10.235 2.538 ( 11.289 -0.000 9.710) 14.890 2.675 ( 10.099 -0.000 6.592) 12.060 2.775 ( 3.545 -0.000 -10.884) 11.446 2.993 ( 5.111 -0.000 11.157) 12.272 3.262 ( -6.351 0.000 -5.304) 8.275 3.460 ( 0.094 -0.000 -22.521) 22.521 3.567 ( 4.072 -0.000 -0.447) 4.097 3.597 ( 9.565 -0.000 -5.890) 11.233 3.799 ( 7.020 -0.000 -15.675) 17.175 3.826 ( 1.854 -0.000 8.506) 8.706 3.947 ( 9.478 -0.000 -3.650) 10.156 4.055 ( 10.884 -0.000 3.009) 11.292 4.093 ( 7.604 -0.000 -2.045) 7.874 4.290 ( -0.176 0.000 1.781) 1.789 4.338 ( 2.240 -0.000 -3.141) 3.858 4.416 ( 18.633 -0.000 -1.767) 18.717 4.614 ( 10.552 -0.000 4.342) 11.410 4.680 ( 5.210 -0.000 -14.175) 15.102 4.873 ( 22.729 -0.000 -4.641) 23.198 5.058 ( 25.632 -0.000 -17.244) 30.892 5.142 ( 3.288 -0.000 -1.472) 3.602 5.381 ( 9.458 -0.000 -6.801) 11.650 5.520 ( -1.073 0.000 1.785) 2.083 5.543 ( 12.859 -0.000 3.597) 13.352 5.671 ( 14.436 -0.000 -4.030) 14.988 5.870 ( 5.037 -0.000 -0.132) 5.039 5.990 ( 3.406 -0.000 3.382) 4.800 6.217 ( -0.544 0.000 -6.608) 6.630 6.335 ( -8.807 0.000 -6.224) 10.784 6.356 ( 10.636 -0.000 28.694) 30.602 6.540 ( 2.101 -0.000 0.048) 2.101 7.367 ( 6.763 -0.000 -0.091) 6.763 7.419 ( 0.282 -0.000 -0.627) 0.687 7.715 ( -1.610 0.000 -2.470) 2.948 8.471 ( -12.141 0.000 12.164) 17.186 8.551 ( -15.009 0.000 -3.940) 15.518 9.072 ( 2.521 -0.000 1.185) 2.786 9.443 ( 3.136 -0.000 7.959) 8.555 10.067 ( -2.085 0.000 -2.899) 3.571 10.443 ( 10.178 -0.000 -7.512) 12.650 10.720 ( -11.195 0.000 0.115) 11.195 10.746 ( -6.697 0.000 -1.327) 6.827 10.888 ( 9.204 -0.000 3.939) 10.011 10.944 ( 0.305 -0.000 -1.594) 1.623 11.133 ( 4.282 -0.000 3.533) 5.552 11.305 ( 4.027 -0.000 -4.627) 6.134 11.427 ( -2.481 0.000 3.401) 4.210 11.662 ( 2.186 -0.000 -2.332) 3.196 11.980 ( -9.813 0.000 3.948) 10.578 12.278 ( -26.020 0.000 -6.123) 26.731 14.319 ( 0.103 -0.000 1.111) 1.116 14.361 ( -0.673 0.000 -4.684) 4.732 14.422 ( 0.390 -0.000 2.232) 2.266 14.453 ( 4.851 -0.000 -7.707) 9.107 14.743 ( 4.540 -0.000 2.640) 5.252 14.807 ( 2.594 -0.000 -4.775) 5.434 14.939 ( -2.066 0.000 11.450) 11.635 15.013 ( -2.796 0.000 0.708) 2.884 15.155 ( 0.393 -0.000 7.588) 7.598 15.505 ( 2.387 -0.000 -1.821) 3.002 15.816 ( -2.728 0.000 2.393) 3.629 16.000 ( -5.516 0.000 -3.128) 6.341 25.238 ( -2.503 0.000 -1.822) 3.096 25.269 ( -2.406 0.000 3.425) 4.186 25.365 ( -1.875 0.000 -0.586) 1.965 25.464 ( -0.889 0.000 0.836) 1.220 25.512 ( -1.608 0.000 -0.407) 1.659 25.527 ( 6.568 -0.000 -4.350) 7.878 25.826 ( 3.265 -0.000 2.553) 4.145 26.152 ( 9.967 -0.000 5.283) 11.281 26.315 ( 8.282 -0.000 1.379) 8.396 26.359 ( 3.314 -0.000 -0.631) 3.373 26.828 ( 6.643 -0.000 -5.860) 8.858 27.669 ( 37.644 -0.000 -39.998) 54.926 29.459 ( -5.516 0.000 0.623) 5.551 29.486 ( -4.330 0.000 -0.322) 4.342 30.491 ( -46.644 0.000 47.858) 66.828 31.155 ( -15.188 0.000 -2.782) 15.441 ======================= Grid point 146 (49/138) ======================= q-point: ( 0.18 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( 10.040 -7.180 15.760) 20.018 1.383 ( 18.226 -12.558 21.272) 30.698 1.862 ( 4.954 -0.882 -4.670) 6.865 2.043 ( 7.574 -8.074 -15.247) 18.842 2.157 ( 7.033 -2.837 8.345) 11.275 2.278 ( 22.023 -21.457 24.929) 39.583 2.628 ( 7.197 -2.636 3.272) 8.334 2.758 ( 14.687 4.033 1.210) 15.278 2.842 ( 14.187 -2.488 0.946) 14.434 3.137 ( 5.188 -5.095 5.146) 8.908 3.265 ( 0.854 -4.486 -3.242) 5.600 3.460 ( 4.845 0.299 -11.710) 12.676 3.547 ( -2.970 2.590 2.239) 4.532 3.708 ( 4.353 1.948 -1.660) 5.050 3.789 ( 7.259 -0.024 -5.754) 9.263 3.934 ( 2.991 -5.507 -10.959) 12.624 4.002 ( 9.942 2.408 0.162) 10.231 4.223 ( 10.543 -2.260 1.598) 10.901 4.282 ( 4.950 -0.099 0.145) 4.953 4.400 ( 7.175 -16.429 -5.495) 18.750 4.507 ( 13.882 -13.652 -1.955) 19.568 4.626 ( 18.329 -5.104 -5.185) 19.720 4.762 ( 10.249 -6.370 -9.935) 15.631 4.849 ( 17.904 -5.871 3.559) 19.175 5.029 ( 20.238 5.525 1.806) 21.056 5.195 ( 15.915 -4.454 -6.157) 17.636 5.389 ( 12.091 -11.783 -5.619) 17.793 5.499 ( 8.950 -1.816 2.046) 9.359 5.583 ( 3.297 -4.393 0.695) 5.536 5.736 ( 6.492 -8.974 -5.844) 12.523 5.907 ( 16.907 -6.348 -1.170) 18.097 5.993 ( 5.046 -8.250 1.650) 9.811 6.133 ( 4.938 -10.867 -1.345) 12.012 6.201 ( 0.008 3.067 3.245) 4.465 6.220 ( 0.525 -2.730 -6.079) 6.685 6.602 ( 4.509 -11.582 5.957) 13.782 6.633 ( 11.718 -6.012 1.830) 13.297 7.318 ( 7.620 9.317 3.860) 12.640 7.418 ( 2.334 2.535 1.094) 3.615 7.646 ( 0.074 5.038 4.326) 6.641 8.204 ( -10.360 10.466 2.776) 14.986 8.474 ( -9.888 -0.150 2.504) 10.201 9.086 ( -1.033 -0.978 -0.043) 1.423 9.605 ( -7.975 -11.833 3.932) 14.801 10.044 ( -3.254 0.282 -3.238) 4.600 10.454 ( 4.362 7.895 2.430) 9.342 10.528 ( -6.108 6.253 -7.066) 11.240 10.737 ( -9.604 -2.410 -2.640) 10.248 10.910 ( 3.915 2.769 -3.555) 5.969 11.037 ( -1.423 1.869 2.843) 3.687 11.105 ( 7.833 1.711 6.646) 10.414 11.288 ( -6.906 13.342 2.858) 15.293 11.399 ( -2.430 -2.031 3.134) 4.455 11.526 ( -1.035 -0.687 -9.942) 10.019 11.806 ( 2.054 6.039 2.361) 6.801 12.271 ( -27.236 -15.132 -0.694) 31.165 14.225 ( -3.085 6.596 -0.457) 7.296 14.357 ( 2.440 2.276 -5.113) 6.105 14.426 ( 3.475 1.735 3.251) 5.065 14.496 ( 1.864 -2.403 -3.361) 4.533 14.755 ( -1.775 4.684 6.919) 8.542 14.807 ( 4.643 2.095 -3.820) 6.367 14.916 ( 2.910 -5.864 0.057) 6.547 15.088 ( -2.276 -4.876 -0.778) 5.437 15.187 ( 1.247 -2.866 8.206) 8.781 15.502 ( 4.891 3.267 2.047) 6.228 15.778 ( -0.250 2.054 -1.428) 2.514 15.974 ( -3.740 -1.965 -5.060) 6.592 25.181 ( -3.385 3.156 -0.703) 4.681 25.261 ( -3.500 -2.339 1.153) 4.364 25.359 ( -2.259 -0.337 1.677) 2.834 25.447 ( -2.356 0.499 -1.491) 2.833 25.471 ( 1.107 2.094 -1.762) 2.952 25.685 ( 5.970 -9.322 -0.416) 11.078 25.833 ( 1.520 0.594 1.758) 2.399 26.236 ( 4.411 0.821 0.689) 4.540 26.374 ( 0.148 -6.435 -0.137) 6.439 26.572 ( 10.942 -9.010 4.330) 14.821 26.887 ( 19.009 4.509 -3.369) 19.825 28.032 ( 20.558 -6.841 -34.186) 40.474 29.379 ( -7.025 1.825 2.774) 7.770 29.423 ( -4.742 1.607 0.723) 5.059 30.064 ( -25.002 6.181 39.257) 46.952 30.890 ( -18.373 10.629 -6.252) 22.127 ======================= Grid point 147 (50/138) ======================= q-point: ( 0.27 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( -6.248 -4.932 5.211) 9.514 1.677 ( 0.793 -6.980 6.039) 9.264 1.974 ( 10.771 -5.681 9.910) 15.700 2.179 ( 10.657 -5.595 7.171) 14.011 2.394 ( 9.624 -10.226 -1.657) 14.140 2.640 ( 11.126 -4.072 -4.792) 12.781 2.830 ( 11.746 1.803 -6.987) 13.786 2.892 ( 12.606 -13.600 13.206) 22.765 3.056 ( 3.402 -6.505 7.110) 10.220 3.246 ( -1.362 -4.789 -0.846) 5.050 3.364 ( 10.755 2.133 7.040) 13.029 3.490 ( 0.279 -3.076 -0.520) 3.132 3.581 ( 9.402 -2.261 0.966) 9.718 3.699 ( 3.368 -0.664 -1.107) 3.607 3.839 ( 1.222 0.203 -0.347) 1.286 3.973 ( 2.565 -1.190 -10.932) 11.291 4.116 ( 4.885 -0.682 0.495) 4.957 4.269 ( 1.454 -1.106 1.998) 2.708 4.487 ( 11.368 -12.624 -9.965) 19.695 4.669 ( 13.062 -3.186 -13.254) 18.879 4.845 ( 8.105 -16.944 0.150) 18.783 4.930 ( 11.579 0.054 1.447) 11.669 5.011 ( 17.825 -5.203 -3.671) 18.928 5.064 ( 15.476 -6.687 -1.001) 16.889 5.301 ( 18.816 -11.262 0.478) 21.934 5.420 ( 11.460 -1.893 -4.792) 12.565 5.560 ( 17.735 1.717 2.304) 17.967 5.739 ( 4.460 -12.310 -1.725) 13.206 5.802 ( 6.101 -19.223 1.585) 20.230 5.928 ( 5.283 -10.684 -1.751) 12.047 6.092 ( 3.944 -1.520 0.268) 4.235 6.228 ( 10.303 -13.158 0.927) 16.737 6.300 ( 7.664 -13.357 3.945) 15.897 6.353 ( 6.246 -9.494 0.318) 11.369 6.446 ( 7.182 -16.357 -5.367) 18.653 6.871 ( 9.569 -13.236 -2.809) 16.573 6.908 ( 13.191 -9.052 -3.466) 16.369 7.273 ( 9.744 5.592 1.964) 11.405 7.402 ( 3.991 2.387 5.541) 7.233 7.574 ( 3.884 4.880 3.815) 7.311 7.973 ( -6.752 6.925 4.829) 10.810 8.371 ( -6.575 2.493 1.852) 7.272 9.077 ( -3.702 -0.125 -0.577) 3.749 9.561 ( -18.279 2.044 3.501) 18.723 9.992 ( -2.278 2.020 -0.916) 3.180 10.330 ( 0.735 8.302 7.544) 11.242 10.380 ( -3.980 6.640 -10.653) 13.169 10.555 ( -18.099 8.488 0.244) 19.992 10.814 ( -4.174 12.402 -0.038) 13.085 10.895 ( 3.649 6.015 -7.270) 10.117 11.031 ( -4.830 5.489 1.344) 7.434 11.143 ( 5.424 6.227 9.425) 12.531 11.495 ( -0.383 -7.317 -0.020) 7.327 11.538 ( -1.434 4.849 -1.844) 5.383 11.817 ( 0.188 -9.484 -8.972) 13.057 12.209 ( -17.692 -5.102 9.048) 20.516 14.092 ( -1.444 5.937 0.391) 6.122 14.351 ( 4.008 1.858 -4.946) 6.631 14.428 ( 4.252 2.045 -0.516) 4.746 14.564 ( -1.174 -4.553 2.092) 5.147 14.663 ( -1.251 3.550 -0.519) 3.799 14.841 ( 1.346 -1.313 -0.607) 1.976 15.007 ( -1.544 -3.122 -1.447) 3.772 15.162 ( 2.164 -4.835 0.275) 5.304 15.248 ( 2.450 -1.054 6.841) 7.343 15.511 ( 2.264 -0.019 2.571) 3.426 15.771 ( 2.676 -0.650 -4.266) 5.078 15.979 ( -0.552 -0.855 -3.453) 3.600 25.099 ( -2.744 2.678 -0.522) 3.869 25.262 ( -3.932 -1.744 -0.189) 4.305 25.324 ( -1.716 1.629 2.821) 3.682 25.408 ( 2.767 3.919 -3.094) 5.708 25.452 ( -3.051 -0.095 0.388) 3.077 25.860 ( 0.354 -2.878 1.257) 3.160 25.923 ( 3.403 -12.574 0.229) 13.028 26.232 ( 5.886 4.325 0.026) 7.305 26.481 ( -6.547 -8.293 -0.123) 10.567 26.776 ( 8.592 -4.943 -0.117) 9.913 27.082 ( 25.008 -0.623 2.310) 25.122 28.278 ( 11.944 -5.358 -20.289) 24.146 29.292 ( -5.446 1.048 5.087) 7.526 29.349 ( -4.502 1.935 1.620) 5.162 29.803 ( -14.722 3.965 20.566) 25.601 30.500 ( -17.245 13.957 -7.829) 23.527 ======================= Grid point 148 (51/138) ======================= q-point: ( 0.36 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( -8.272 -5.435 1.774) 10.055 1.699 ( -8.925 -3.967 0.346) 9.773 2.198 ( 11.349 -6.284 10.833) 16.901 2.445 ( 13.710 -8.911 15.831) 22.759 2.627 ( 10.133 -6.249 -0.566) 11.919 2.771 ( 10.890 0.007 -8.009) 13.518 2.924 ( 8.581 -0.603 -5.203) 10.053 3.144 ( 3.329 -0.416 4.378) 5.515 3.205 ( 9.438 -9.017 4.853) 13.926 3.218 ( -4.144 -0.920 0.412) 4.265 3.395 ( -0.611 -4.075 2.125) 4.636 3.525 ( 1.825 3.523 0.608) 4.014 3.686 ( 2.156 -0.335 0.817) 2.330 3.809 ( 5.872 -5.376 3.491) 8.693 3.820 ( -0.265 1.729 -0.695) 1.882 4.065 ( 5.319 -0.713 -8.963) 10.446 4.129 ( 2.959 0.022 3.246) 4.392 4.281 ( -0.316 0.308 3.447) 3.475 4.788 ( 5.331 -6.162 -8.496) 11.772 4.833 ( 12.167 -4.772 -10.854) 16.989 4.978 ( 10.622 2.086 -4.302) 11.648 5.148 ( 8.184 -7.879 3.312) 11.833 5.229 ( 4.255 -3.489 1.145) 5.620 5.268 ( 18.764 -1.552 -3.868) 19.222 5.435 ( 9.270 2.930 -1.515) 9.840 5.565 ( 13.507 3.246 -4.242) 14.525 5.811 ( 8.304 -13.532 -2.831) 16.127 5.983 ( 1.294 -9.043 -1.153) 9.208 6.115 ( 9.006 -13.237 3.302) 16.347 6.219 ( 7.824 -8.870 9.311) 15.053 6.294 ( 6.342 -21.108 -2.635) 22.197 6.560 ( 11.133 -8.974 0.293) 14.303 6.643 ( 4.205 -18.869 3.100) 19.579 6.668 ( 6.848 -21.669 -0.574) 22.733 6.812 ( 7.931 -18.188 -3.900) 20.221 7.077 ( 4.084 -2.438 -7.329) 8.737 7.125 ( 4.067 -4.853 0.926) 6.399 7.328 ( 10.322 0.891 -1.755) 10.508 7.435 ( 6.095 -0.650 5.728) 8.390 7.677 ( 16.738 -7.233 0.657) 18.246 7.851 ( -1.009 2.363 6.679) 7.156 8.280 ( -5.153 1.475 0.178) 5.363 9.008 ( -4.314 3.760 -0.294) 5.730 9.258 ( -20.507 8.884 1.519) 22.400 9.920 ( -4.652 3.920 1.646) 6.302 10.151 ( -10.596 7.741 1.351) 13.192 10.253 ( 0.939 7.999 0.392) 8.063 10.260 ( -7.103 6.847 -4.167) 10.709 10.551 ( -1.985 15.089 -0.261) 15.221 10.767 ( -5.395 8.557 -4.525) 11.082 10.956 ( 4.560 5.962 4.260) 8.630 11.054 ( -0.009 5.857 3.981) 7.081 11.383 ( -1.194 6.813 0.084) 6.917 11.583 ( -7.163 -4.611 -4.735) 9.746 12.020 ( -2.507 -11.915 -10.429) 16.032 12.164 ( -4.900 -4.863 13.332) 15.014 14.006 ( 0.279 3.741 1.275) 3.963 14.371 ( 4.082 0.594 -2.497) 4.822 14.437 ( 2.866 1.191 -1.491) 3.443 14.601 ( -2.034 1.040 -4.224) 4.802 14.629 ( -2.417 -4.432 3.361) 6.065 14.884 ( 1.480 -2.557 1.288) 3.223 15.029 ( -3.009 -2.709 -1.750) 4.411 15.201 ( 1.770 4.191 5.612) 7.224 15.300 ( 4.651 -1.983 -0.466) 5.078 15.538 ( 0.581 -1.342 3.623) 3.907 15.847 ( 2.839 -4.211 -8.141) 9.596 15.983 ( 0.083 0.141 0.402) 0.434 25.043 ( -1.671 1.438 -0.274) 2.222 25.238 ( -3.065 0.486 -0.980) 3.254 25.285 ( -0.636 1.632 2.356) 2.936 25.378 ( 2.717 2.944 -1.670) 4.340 25.415 ( -2.411 0.726 0.373) 2.545 25.922 ( -0.008 -3.951 0.304) 3.962 26.130 ( -3.188 -9.200 0.192) 9.739 26.238 ( 9.250 1.310 0.674) 9.367 26.520 ( -7.034 -4.831 0.067) 8.533 26.925 ( 7.392 -3.361 -1.905) 8.341 27.322 ( 20.740 -0.679 2.891) 20.952 28.461 ( 8.469 -5.392 -9.848) 14.063 29.237 ( -3.034 1.517 6.856) 7.649 29.281 ( -4.343 0.413 1.496) 4.612 29.628 ( -10.421 3.118 6.599) 12.723 30.129 ( -13.993 11.427 -6.039) 19.048 ======================= Grid point 149 (52/138) ======================= q-point: ( 0.45 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( -6.923 -6.957 1.830) 9.984 1.680 ( -8.857 -4.209 -0.109) 9.806 2.380 ( 7.998 -3.420 11.125) 14.121 2.664 ( 8.977 -2.663 10.101) 13.774 2.803 ( 10.084 -1.072 6.691) 12.149 2.863 ( 9.434 -0.025 -5.502) 10.921 2.952 ( 1.273 1.434 -0.277) 1.937 3.130 ( -0.353 -1.536 -5.983) 6.187 3.305 ( 5.806 -3.560 2.512) 7.258 3.354 ( 0.202 -2.787 0.102) 2.796 3.462 ( 0.568 3.928 0.036) 3.969 3.507 ( -0.809 -7.984 2.769) 8.489 3.670 ( 3.439 5.453 -2.161) 6.800 3.754 ( -1.037 3.529 0.121) 3.680 3.937 ( 1.782 -4.372 -0.240) 4.727 4.021 ( -0.040 3.451 -4.247) 5.473 4.207 ( 6.573 0.172 0.732) 6.616 4.281 ( 1.594 -0.599 10.955) 11.087 4.849 ( 11.530 5.272 -8.526) 15.278 4.947 ( 3.658 -0.144 -3.526) 5.082 5.032 ( -1.419 -0.512 -10.664) 10.770 5.248 ( 4.330 -0.270 -0.451) 4.362 5.343 ( 9.065 -1.069 3.032) 9.618 5.417 ( 15.444 3.672 0.578) 15.885 5.508 ( 11.256 3.897 -3.716) 12.477 5.591 ( 7.326 2.124 -9.489) 12.175 6.005 ( 0.744 -4.491 5.701) 7.295 6.190 ( 3.051 -11.376 -2.300) 12.001 6.380 ( 6.395 -10.355 4.687) 13.042 6.452 ( 3.669 -9.213 7.833) 12.637 6.612 ( 3.329 -11.064 -3.973) 12.218 6.751 ( 0.468 -1.484 -0.476) 1.627 6.857 ( 3.304 -6.061 2.336) 7.288 7.062 ( 9.396 -14.087 -1.224) 16.977 7.096 ( 1.152 -6.623 -0.921) 6.785 7.196 ( -1.831 -2.857 -0.818) 3.490 7.263 ( 2.046 -12.889 -4.456) 13.790 7.384 ( 5.041 -2.854 0.645) 5.829 7.523 ( 4.877 -3.776 2.000) 6.484 7.833 ( 0.864 -4.614 -0.162) 4.697 8.055 ( 9.556 -12.822 3.642) 16.401 8.217 ( -4.398 0.869 0.353) 4.497 8.859 ( -3.691 9.825 -0.944) 10.538 8.961 ( -17.173 2.601 0.764) 17.386 9.784 ( -7.746 3.291 1.934) 8.636 9.926 ( -8.810 5.948 1.333) 10.713 10.125 ( 4.098 10.051 0.990) 10.899 10.206 ( 5.589 0.420 -3.438) 6.575 10.302 ( 1.535 12.945 -0.632) 13.051 10.548 ( -3.618 10.392 -2.856) 11.368 10.854 ( 3.417 9.053 8.666) 12.990 11.022 ( 0.888 -0.486 -2.877) 3.050 11.311 ( -0.292 1.392 -0.551) 1.525 11.535 ( -8.504 -0.395 -2.366) 8.836 12.089 ( -2.605 -2.023 -0.592) 3.350 12.302 ( -3.393 -12.051 1.650) 12.628 13.968 ( 1.958 2.318 2.786) 4.119 14.388 ( 3.286 2.657 1.419) 4.457 14.446 ( 0.233 -0.890 -3.944) 4.050 14.564 ( -2.854 -0.067 -3.941) 4.867 14.697 ( -1.018 -5.008 3.090) 5.972 14.944 ( 0.961 -1.864 -1.092) 2.364 15.044 ( -3.056 -3.619 0.741) 4.795 15.122 ( 1.455 5.683 3.399) 6.780 15.364 ( 5.333 0.422 0.118) 5.351 15.565 ( 1.988 -0.247 2.078) 2.886 15.902 ( -1.359 0.111 -4.395) 4.602 16.000 ( 0.118 -3.113 -1.432) 3.429 25.019 ( -0.181 0.333 0.189) 0.423 25.200 ( -1.238 1.296 -1.070) 2.087 25.256 ( -0.059 1.495 1.128) 1.874 25.355 ( -1.083 0.548 -0.291) 1.248 25.397 ( 1.984 1.261 0.067) 2.352 25.980 ( 0.184 -2.682 -0.150) 2.693 26.149 ( -3.224 -0.198 0.124) 3.232 26.370 ( 4.619 -5.304 0.821) 7.081 26.520 ( -5.845 -2.772 0.025) 6.469 27.015 ( 3.208 -1.078 -1.751) 3.810 27.490 ( 16.794 2.459 1.945) 17.084 28.604 ( 4.255 -3.281 -3.383) 6.349 29.185 ( -1.083 0.998 5.915) 6.096 29.264 ( -2.685 -1.937 1.826) 3.781 29.492 ( -7.276 2.842 -2.011) 8.066 29.880 ( -8.787 4.504 -2.733) 10.246 ======================= Grid point 150 (53/138) ======================= q-point: (-0.45 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( -5.655 -8.312 2.864) 10.454 1.672 ( -6.108 -3.646 -0.727) 7.151 2.444 ( 2.327 2.822 10.754) 11.359 2.693 ( 7.026 6.974 2.315) 10.167 2.812 ( 1.966 5.255 13.532) 14.649 2.893 ( 1.494 0.442 -2.279) 2.761 3.029 ( 3.935 0.531 -2.384) 4.631 3.183 ( 1.081 -5.698 -0.295) 5.807 3.315 ( -2.662 4.845 -2.351) 6.007 3.373 ( -2.869 2.456 -0.915) 3.886 3.408 ( 0.396 -0.469 0.871) 1.066 3.529 ( 3.684 11.254 -3.540) 12.359 3.620 ( -0.676 -5.881 1.145) 6.030 3.750 ( 2.253 -0.564 -0.929) 2.502 3.989 ( 1.361 -1.223 -2.018) 2.724 4.041 ( 8.328 -0.279 -2.127) 8.599 4.235 ( 4.905 2.958 2.922) 6.430 4.346 ( 2.266 -4.300 13.123) 13.995 4.850 ( 7.061 5.628 -11.894) 14.933 4.917 ( 4.198 7.012 -0.165) 8.174 5.026 ( -3.951 -2.441 -11.600) 12.496 5.256 ( 2.856 3.489 -2.393) 5.104 5.388 ( 6.504 4.966 2.435) 8.538 5.458 ( 13.476 7.772 0.098) 15.557 5.503 ( 13.479 9.118 1.219) 16.319 5.617 ( -3.318 -0.766 -11.098) 11.609 6.055 ( 2.865 0.373 7.812) 8.329 6.276 ( -2.383 0.581 -0.007) 2.452 6.564 ( -0.217 -1.702 7.856) 8.042 6.595 ( 3.650 -5.679 -1.703) 6.963 6.686 ( -5.714 -2.124 1.249) 6.222 6.738 ( 0.226 3.861 0.835) 3.957 6.968 ( -2.859 -5.676 -2.767) 6.931 7.060 ( -4.736 6.224 -2.173) 8.117 7.101 ( -3.257 2.678 -0.415) 4.237 7.296 ( -0.612 -1.383 -1.988) 2.498 7.380 ( -4.173 9.362 0.475) 10.261 7.414 ( 6.667 -8.222 -1.098) 10.642 7.687 ( -2.349 -5.280 -0.160) 5.781 7.875 ( -4.951 -0.745 -2.935) 5.803 8.134 ( -12.274 3.102 3.272) 13.076 8.259 ( -5.825 -8.039 3.591) 10.557 8.721 ( 1.309 -0.507 2.312) 2.704 8.841 ( -7.969 -3.405 -2.341) 8.977 9.699 ( -6.345 -1.586 3.118) 7.246 9.825 ( -0.611 0.261 -0.543) 0.858 10.041 ( 9.417 6.722 0.228) 11.572 10.173 ( 5.117 2.953 -0.337) 5.917 10.335 ( 14.383 2.066 -4.753) 15.288 10.421 ( 4.051 0.724 -0.519) 4.147 10.776 ( 1.669 2.508 6.736) 7.379 11.056 ( 3.048 -1.333 -1.823) 3.793 11.317 ( -0.084 -1.944 -2.827) 3.432 11.473 ( -4.435 -0.284 1.634) 4.735 12.064 ( -4.293 1.231 0.238) 4.472 12.434 ( -6.349 -8.807 -0.571) 10.872 13.966 ( 3.294 1.075 3.614) 5.007 14.345 ( 0.427 3.956 -0.410) 4.000 14.455 ( 0.554 0.934 -3.125) 3.309 14.552 ( -2.590 -1.545 -1.704) 3.463 14.750 ( -1.954 -2.119 2.847) 4.052 14.950 ( -0.528 -0.989 -1.535) 1.901 15.055 ( -1.090 2.745 -0.730) 3.042 15.125 ( 2.254 -5.233 4.319) 7.150 15.386 ( 5.912 3.319 0.386) 6.791 15.581 ( 2.760 1.219 -0.173) 3.022 15.844 ( -4.005 2.440 0.123) 4.691 16.049 ( -2.395 -2.913 -4.089) 5.562 25.028 ( 1.564 -0.437 0.533) 1.709 25.176 ( -0.300 0.581 -0.970) 1.170 25.241 ( 0.391 0.321 0.257) 0.567 25.347 ( -1.522 -1.187 0.246) 1.946 25.404 ( 3.960 1.498 0.096) 4.235 26.009 ( 0.220 -0.431 -0.587) 0.760 26.110 ( -4.680 0.094 0.450) 4.703 26.456 ( -2.486 -3.313 0.581) 4.182 26.508 ( -1.396 -0.254 0.030) 1.420 27.016 ( -1.456 2.007 -1.607) 2.955 27.566 ( 14.098 6.094 1.948) 15.482 28.600 ( -4.288 4.034 -1.051) 5.981 29.206 ( 0.869 -1.954 5.026) 5.462 29.280 ( -1.207 -1.979 2.135) 3.151 29.442 ( 0.237 -3.547 -5.294) 6.377 29.806 ( -3.610 -2.301 -1.260) 4.463 ======================= Grid point 151 (54/138) ======================= q-point: (-0.36 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( -4.476 -8.867 3.204) 10.436 1.689 ( -1.982 -3.090 -1.228) 3.871 2.339 ( -1.755 8.825 9.402) 13.014 2.629 ( 4.105 8.009 3.657) 9.714 2.674 ( -1.114 11.000 13.190) 17.211 2.851 ( -2.290 5.548 -3.580) 6.988 2.964 ( -1.098 7.611 -0.149) 7.691 3.173 ( -4.163 7.449 1.275) 8.628 3.207 ( -6.011 6.303 -6.634) 10.949 3.289 ( 0.434 -2.981 1.849) 3.535 3.430 ( 3.428 1.055 2.012) 4.112 3.477 ( 2.998 0.316 -0.813) 3.122 3.701 ( 0.751 -3.767 1.895) 4.283 3.766 ( 0.725 0.756 -3.408) 3.565 4.027 ( 4.399 0.274 -1.653) 4.708 4.133 ( 10.443 2.728 -4.460) 11.678 4.208 ( 3.869 3.428 4.118) 6.609 4.436 ( 1.113 -2.497 11.829) 12.141 4.767 ( -1.475 8.116 -13.323) 15.670 4.836 ( 3.466 6.956 1.223) 7.868 5.009 ( -2.819 0.938 -12.561) 12.908 5.183 ( 3.706 9.118 1.706) 9.989 5.333 ( 3.430 6.922 -0.144) 7.727 5.421 ( 10.157 10.864 -2.572) 15.093 5.470 ( 10.071 7.587 3.644) 13.125 5.554 ( -5.591 1.963 -8.360) 10.247 6.029 ( 3.537 7.177 3.624) 8.784 6.175 ( -5.329 6.834 -2.999) 9.170 6.355 ( -13.601 16.614 5.215) 22.096 6.572 ( -3.990 9.620 6.547) 12.302 6.644 ( -8.281 3.430 2.286) 9.250 6.692 ( -2.698 -2.545 -0.630) 3.762 6.850 ( -12.782 11.862 -2.268) 17.585 6.959 ( -3.064 1.517 -9.322) 9.929 6.975 ( -8.408 2.623 4.559) 9.917 7.191 ( -1.228 6.731 -1.560) 7.018 7.330 ( -0.133 -0.055 -3.029) 3.033 7.466 ( 2.774 6.260 0.492) 6.865 7.517 ( -14.903 13.632 -0.642) 20.208 7.734 ( -11.465 13.156 0.938) 17.476 7.865 ( -4.490 7.480 3.170) 9.283 8.263 ( -7.358 -2.786 1.657) 8.040 8.859 ( 2.761 -9.026 -0.931) 9.485 8.994 ( 1.007 -17.045 2.613) 17.274 9.726 ( -4.100 -7.387 3.035) 8.977 9.888 ( 1.302 -6.165 -2.660) 6.839 10.107 ( 11.737 -2.652 -2.217) 12.235 10.285 ( 9.237 -5.887 -0.100) 10.954 10.359 ( 7.672 0.693 -0.048) 7.704 10.615 ( 11.805 -7.018 -0.506) 13.743 10.817 ( 5.377 -2.853 4.742) 7.717 11.128 ( 4.918 -2.707 -0.444) 5.631 11.353 ( -3.957 -4.256 -8.158) 10.016 11.469 ( 4.366 0.993 6.477) 7.874 11.966 ( -6.769 3.864 0.209) 7.797 12.463 ( -9.914 -3.882 0.319) 10.652 13.996 ( 3.908 -0.487 2.602) 4.720 14.289 ( 1.330 2.975 -1.892) 3.768 14.419 ( 0.312 3.470 -3.275) 4.782 14.549 ( -2.732 -0.785 -0.913) 2.986 14.747 ( -0.677 -0.310 3.127) 3.215 14.977 ( 3.745 2.813 3.584) 5.898 15.002 ( -7.424 -3.377 -2.683) 8.586 15.237 ( 2.456 -4.735 1.953) 5.681 15.375 ( 7.107 4.937 0.021) 8.653 15.561 ( 1.766 4.445 0.715) 4.836 15.779 ( -4.152 -0.403 -1.824) 4.553 16.033 ( -5.461 0.380 -3.056) 6.269 25.060 ( 2.639 -0.851 0.498) 2.817 25.173 ( -0.193 -0.464 -0.980) 1.101 25.258 ( 0.815 -1.841 0.276) 2.032 25.365 ( -0.742 -2.244 0.397) 2.397 25.424 ( 5.650 1.593 0.071) 5.871 25.989 ( -3.511 1.314 -0.754) 3.824 26.067 ( -2.856 0.262 0.503) 2.912 26.439 ( -7.511 -0.961 0.450) 7.586 26.495 ( 1.778 2.459 0.115) 3.037 26.922 ( -5.306 5.100 -1.787) 7.573 27.563 ( 12.179 9.553 3.193) 15.804 28.421 ( -9.454 8.164 -3.795) 13.054 29.231 ( -0.454 -1.738 6.094) 6.353 29.310 ( 0.496 -1.901 1.485) 2.463 29.613 ( 7.187 -9.704 -3.078) 12.462 29.879 ( 0.282 -8.848 -2.066) 9.091 ======================= Grid point 152 (55/138) ======================= q-point: (-0.27 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( -3.255 -6.271 4.124) 8.181 1.735 ( 2.549 -1.986 -2.543) 4.112 2.153 ( -3.092 10.414 11.029) 15.480 2.433 ( -3.654 12.527 17.419) 21.764 2.522 ( 5.190 12.313 0.347) 13.367 2.676 ( -5.208 8.904 -8.986) 13.680 2.770 ( -3.499 11.798 -1.636) 12.414 2.933 ( -8.572 12.014 0.854) 14.783 3.129 ( -2.612 1.214 5.541) 6.244 3.322 ( 1.220 0.710 1.395) 1.985 3.431 ( 1.383 1.054 0.764) 1.899 3.519 ( 1.339 -1.793 0.106) 2.240 3.698 ( -2.627 5.540 1.167) 6.242 3.773 ( 3.121 -0.311 -2.747) 4.169 4.046 ( 4.584 3.393 -1.338) 5.858 4.071 ( 2.953 8.434 1.110) 9.004 4.257 ( 6.746 1.302 -6.389) 9.382 4.395 ( -3.754 7.080 9.229) 12.223 4.572 ( -2.192 10.156 -11.575) 15.554 4.733 ( -1.113 7.334 -0.356) 7.426 4.909 ( -0.236 9.549 -8.620) 12.867 5.039 ( 0.149 10.173 0.762) 10.203 5.203 ( -2.463 9.520 -0.300) 9.838 5.311 ( 6.075 11.085 -2.707) 12.927 5.412 ( 3.353 11.558 1.286) 12.103 5.462 ( -3.671 3.785 -6.977) 8.745 5.832 ( -7.636 18.913 5.105) 21.026 5.938 ( -2.587 10.821 0.300) 11.130 5.964 ( -8.024 13.830 -2.537) 16.189 6.245 ( -16.350 13.786 1.062) 21.413 6.409 ( -4.335 9.045 6.573) 11.992 6.509 ( -14.500 15.562 -1.751) 21.342 6.654 ( -4.206 9.217 -1.454) 10.235 6.838 ( -2.544 9.040 4.861) 10.574 6.905 ( -10.429 3.390 -4.240) 11.757 7.041 ( 0.235 10.121 -2.764) 10.495 7.095 ( -5.045 17.886 -3.441) 18.899 7.189 ( -6.573 8.492 -4.599) 11.682 7.358 ( -1.555 7.607 2.873) 8.279 7.432 ( -3.438 6.202 2.368) 7.476 7.873 ( 4.458 -5.061 6.086) 9.084 8.241 ( -6.025 -2.980 -0.620) 6.750 9.074 ( 6.865 -10.568 -0.438) 12.609 9.294 ( -1.146 -17.528 4.478) 18.128 9.844 ( -0.910 -8.889 0.943) 8.985 10.003 ( 1.508 -4.893 -3.143) 6.008 10.284 ( 6.056 -6.602 -1.818) 9.141 10.452 ( -2.341 -10.711 0.470) 10.974 10.590 ( 15.234 -12.818 0.746) 19.923 10.823 ( 12.884 -3.787 -1.162) 13.479 10.945 ( 5.701 -4.905 5.429) 9.275 11.234 ( 3.661 -4.903 -1.566) 6.316 11.378 ( -5.128 -4.590 -8.474) 10.916 11.504 ( 12.279 5.380 5.535) 14.503 11.815 ( -8.921 4.744 0.986) 10.152 12.370 ( -14.293 0.974 2.818) 14.601 14.054 ( 3.412 -1.928 -0.304) 3.930 14.285 ( 4.775 1.542 -0.732) 5.071 14.375 ( 1.578 1.274 -6.378) 6.693 14.520 ( -3.390 0.505 0.111) 3.429 14.762 ( 1.321 -0.803 4.470) 4.730 14.916 ( -0.512 3.976 -0.426) 4.031 15.016 ( -5.565 -3.414 3.944) 7.628 15.276 ( 4.245 4.394 -1.363) 6.260 15.399 ( 2.291 -0.675 -1.358) 2.747 15.481 ( 2.619 4.844 4.636) 7.198 15.773 ( -4.258 -1.996 -2.973) 5.563 15.939 ( -5.974 2.981 -3.567) 7.570 25.103 ( 2.241 -1.431 0.681) 2.745 25.186 ( -0.144 -1.365 -1.560) 2.078 25.314 ( 0.958 -3.487 0.973) 3.745 25.405 ( -0.070 -2.950 0.224) 2.959 25.461 ( 7.891 1.764 0.107) 8.087 25.901 ( -9.001 1.788 -0.312) 9.182 26.044 ( 2.139 2.389 0.081) 3.208 26.350 ( -5.347 3.911 0.215) 6.628 26.466 ( -1.620 0.827 0.019) 1.819 26.754 ( -7.762 7.079 -2.253) 10.744 27.477 ( 9.197 13.624 7.009) 17.870 28.178 ( -9.167 9.404 -10.638) 16.901 29.275 ( 0.267 -3.376 6.997) 7.773 29.353 ( 1.419 -2.137 0.791) 2.684 29.823 ( 5.532 -7.907 4.952) 10.846 30.127 ( 4.719 -17.437 -6.288) 19.127 ======================= Grid point 153 (56/138) ======================= q-point: (-0.18 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( -3.207 7.109 7.544) 10.850 1.750 ( 3.830 10.011 5.461) 12.029 1.975 ( -2.827 3.588 5.393) 7.067 2.211 ( 1.691 11.961 15.832) 19.914 2.343 ( 0.646 11.782 -3.498) 12.307 2.490 ( -5.280 7.941 -6.432) 11.503 2.557 ( 0.350 10.393 -3.464) 10.961 2.654 ( -10.382 7.452 -1.826) 12.910 3.090 ( 0.026 1.775 10.690) 10.837 3.115 ( -9.019 25.799 13.792) 30.613 3.424 ( -1.532 0.244 2.475) 2.921 3.550 ( -0.725 -1.423 -0.895) 1.831 3.582 ( 5.326 3.596 -5.380) 8.381 3.776 ( 3.475 4.470 -2.895) 6.359 3.950 ( -2.251 7.980 1.271) 8.388 4.004 ( 5.211 5.547 0.050) 7.611 4.215 ( -2.360 7.157 -20.307) 21.661 4.235 ( -0.683 5.705 2.034) 6.095 4.409 ( -2.145 8.305 -0.534) 8.594 4.573 ( -3.745 8.073 0.025) 8.899 4.700 ( 3.567 17.225 -5.530) 18.439 4.805 ( -9.915 12.804 -3.802) 16.635 4.972 ( -2.598 17.631 -2.095) 17.944 5.067 ( -6.371 17.257 -0.996) 18.423 5.163 ( 3.662 14.380 -3.483) 15.242 5.286 ( -8.281 16.463 -2.486) 18.595 5.448 ( -5.871 8.571 6.989) 12.521 5.766 ( 5.043 12.152 -2.154) 13.332 5.813 ( 0.910 3.832 -2.928) 4.908 5.978 ( -5.695 8.320 -0.182) 10.084 6.057 ( -11.941 15.734 1.828) 19.836 6.232 ( -1.636 10.078 7.451) 12.640 6.404 ( -3.469 15.615 0.443) 16.002 6.540 ( 0.927 21.841 1.866) 21.940 6.591 ( -4.797 17.450 -0.517) 18.105 6.760 ( -7.174 9.493 -7.467) 14.048 6.989 ( 0.484 7.397 -1.157) 7.502 7.073 ( -0.599 5.146 -6.760) 8.517 7.285 ( -3.341 -3.711 5.936) 7.757 7.414 ( 0.155 -4.305 0.947) 4.411 8.065 ( 4.847 -11.399 6.602) 14.036 8.259 ( -4.184 -5.197 0.224) 6.675 9.301 ( 7.775 -6.422 2.912) 10.496 9.545 ( -3.825 -15.742 -0.051) 16.200 9.989 ( 2.914 -6.880 0.253) 7.476 10.071 ( -1.454 -3.768 0.248) 4.047 10.455 ( 3.845 -7.814 -1.837) 8.901 10.593 ( -5.538 -10.965 -3.207) 12.696 10.918 ( 9.537 -8.545 2.153) 12.985 10.980 ( 6.401 -2.836 1.843) 7.240 11.054 ( -3.229 -4.679 5.925) 8.212 11.360 ( -1.954 -5.623 -14.482) 15.658 11.426 ( 9.608 2.243 -1.637) 10.001 11.558 ( 16.563 0.572 6.888) 17.947 11.667 ( -4.592 0.297 0.001) 4.602 12.171 ( -17.802 3.457 5.291) 18.890 14.117 ( 2.261 -2.194 -2.440) 3.984 14.299 ( 2.646 0.569 -1.501) 3.095 14.407 ( 2.765 1.343 -6.803) 7.465 14.505 ( -1.143 -3.740 1.143) 4.075 14.783 ( 0.922 0.555 4.529) 4.655 14.855 ( -1.108 1.800 0.919) 2.305 15.010 ( -3.665 -1.550 5.454) 6.752 15.222 ( 5.698 6.922 -2.818) 9.398 15.315 ( -2.963 6.371 0.567) 7.049 15.549 ( 4.241 -4.490 4.158) 7.446 15.669 ( -10.165 5.484 -0.013) 11.550 15.909 ( 0.559 -2.702 -8.038) 8.498 25.149 ( 0.509 -2.439 1.509) 2.913 25.219 ( 0.964 -2.304 -2.740) 3.707 25.384 ( 0.648 -3.805 1.999) 4.346 25.454 ( -0.410 -2.845 -0.257) 2.886 25.513 ( 9.560 2.468 0.436) 9.883 25.758 ( -10.657 3.861 0.097) 11.335 26.020 ( 5.776 5.475 0.313) 7.965 26.232 ( -4.649 3.381 -2.030) 6.096 26.435 ( -2.854 0.606 0.014) 2.918 26.554 ( -8.110 6.972 -2.345) 10.949 27.275 ( 2.685 17.661 12.559) 21.837 27.945 ( -2.464 11.390 -22.068) 24.956 29.344 ( 0.210 -4.347 7.259) 8.464 29.408 ( 1.455 -2.654 0.356) 3.047 30.017 ( 3.587 -10.721 14.644) 18.500 30.503 ( 4.837 -21.056 -7.888) 22.999 ======================= Grid point 154 (57/138) ======================= q-point: (-0.09 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( -2.316 25.426 11.745) 28.104 1.448 ( 1.450 24.101 24.149) 34.149 1.896 ( -1.603 9.713 -12.608) 15.996 2.117 ( 0.663 4.299 10.646) 11.500 2.136 ( 1.615 11.501 -6.324) 13.224 2.311 ( 0.181 17.983 5.578) 18.829 2.406 ( -0.933 17.586 13.303) 22.070 2.510 ( 2.596 4.174 0.163) 4.918 2.593 ( -2.122 4.433 -0.400) 4.931 3.091 ( 4.897 1.194 15.989) 16.765 3.391 ( -4.142 0.857 2.540) 4.933 3.554 ( -1.554 -0.683 -2.877) 3.341 3.611 ( 3.199 3.456 -9.441) 10.551 3.695 ( 0.215 7.003 -0.873) 7.060 3.744 ( -2.296 8.543 -4.640) 9.989 3.987 ( 4.983 5.858 -5.196) 9.281 4.060 ( 0.119 5.359 -20.748) 21.429 4.136 ( -8.320 5.653 3.152) 10.541 4.193 ( -0.403 11.047 3.342) 11.549 4.395 ( -6.358 10.451 -1.178) 12.290 4.426 ( 5.297 14.872 -2.941) 16.059 4.543 ( 3.931 13.854 -2.462) 14.610 4.654 ( 2.596 14.397 -4.672) 15.357 4.781 ( -2.047 12.480 -5.698) 13.872 4.930 ( 2.546 14.074 0.512) 14.311 4.996 ( -3.621 11.150 -4.316) 12.493 5.316 ( 1.019 7.794 6.770) 10.374 5.589 ( 5.705 16.273 -2.464) 17.419 5.671 ( -7.709 6.780 -7.355) 12.629 5.757 ( 1.130 11.163 -4.075) 11.937 5.901 ( 0.301 5.914 10.928) 12.429 6.099 ( 1.099 7.753 1.010) 7.895 6.114 ( 3.066 12.425 7.484) 14.825 6.270 ( 4.299 14.844 -1.797) 15.558 6.318 ( -0.423 11.455 -2.000) 11.636 6.577 ( -6.479 3.944 -4.617) 8.880 6.820 ( -0.005 12.297 2.708) 12.591 7.016 ( 0.115 -0.791 -4.007) 4.086 7.348 ( -2.661 -5.799 4.323) 7.707 7.533 ( 2.289 -6.668 0.247) 7.055 8.300 ( -6.953 -13.552 4.335) 15.837 8.351 ( 4.741 -8.630 1.424) 9.949 9.380 ( -2.016 1.342 6.642) 7.070 9.733 ( -0.114 -6.704 -9.423) 11.565 10.107 ( 0.258 -2.025 1.591) 2.588 10.131 ( 3.889 -5.956 1.699) 7.313 10.588 ( 0.032 -5.913 -1.923) 6.218 10.722 ( -2.702 -8.859 -4.783) 10.424 11.014 ( -8.738 -1.838 3.332) 9.530 11.041 ( -0.146 0.339 2.257) 2.287 11.062 ( 1.091 -1.158 3.510) 3.854 11.338 ( 1.916 2.520 -3.886) 5.012 11.468 ( 1.970 5.117 -0.432) 5.500 11.480 ( -2.462 0.638 -5.061) 5.664 11.957 ( -14.059 1.374 6.588) 15.586 12.105 ( 28.493 -20.156 -0.842) 34.911 14.174 ( 1.609 -2.772 -1.472) 3.527 14.294 ( -3.769 0.846 -9.504) 10.259 14.395 ( 0.079 -1.112 4.189) 4.335 14.558 ( -0.594 -0.634 -1.863) 2.056 14.749 ( 0.956 4.095 3.713) 5.609 14.842 ( -1.903 -1.014 3.122) 3.795 14.984 ( -4.573 1.980 4.589) 6.775 15.166 ( 5.223 6.482 2.089) 8.582 15.196 ( -0.821 3.283 -1.190) 3.587 15.488 ( -6.479 3.949 0.759) 7.625 15.673 ( 2.674 -5.984 2.289) 6.942 15.986 ( 1.378 -4.695 -8.447) 9.762 25.196 ( -1.171 -3.635 1.444) 4.083 25.277 ( 2.224 -2.329 -2.645) 4.167 25.449 ( -2.034 -3.915 2.361) 5.004 25.484 ( 0.710 -0.765 0.106) 1.050 25.541 ( 4.590 4.093 1.164) 6.259 25.585 ( -4.455 5.873 -0.592) 7.395 25.952 ( 0.920 6.724 2.061) 7.093 26.155 ( -3.872 2.537 -8.570) 9.741 26.384 ( 0.941 2.764 0.632) 2.988 26.416 ( -0.633 3.473 -1.010) 3.672 26.967 ( -4.887 16.728 12.854) 21.655 27.732 ( 9.555 18.273 -32.720) 38.675 29.422 ( -0.634 -4.882 5.968) 7.737 29.461 ( 0.074 -2.620 0.297) 2.638 30.279 ( -1.655 -19.834 28.149) 34.475 30.885 ( 0.740 -20.565 -6.312) 21.524 ======================= Grid point 157 (58/138) ======================= q-point: ( 0.18 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( 1.668 -0.000 9.371) 9.518 1.484 ( 20.044 -0.000 20.332) 28.551 1.886 ( 1.433 -0.000 -4.844) 5.051 2.066 ( 13.877 -0.000 -10.260) 17.258 2.190 ( 7.098 -0.000 7.219) 10.124 2.330 ( 22.293 -0.000 29.686) 37.125 2.660 ( 4.591 -0.000 -0.683) 4.642 2.882 ( 8.526 -0.000 11.310) 14.164 2.893 ( 1.859 -0.000 -13.202) 13.332 3.234 ( 19.063 -0.000 5.139) 19.744 3.282 ( 7.585 -0.000 -3.065) 8.181 3.512 ( 8.036 -0.000 -12.243) 14.645 3.538 ( -3.387 0.000 2.767) 4.374 3.774 ( 6.067 -0.000 -8.071) 10.097 3.883 ( 2.316 -0.000 -11.245) 11.481 3.899 ( 0.810 -0.000 6.306) 6.357 4.149 ( 11.815 -0.000 1.648) 11.929 4.288 ( 2.903 -0.000 -1.476) 3.256 4.298 ( 3.251 -0.000 1.280) 3.494 4.487 ( 27.826 -0.000 -5.510) 28.366 4.515 ( 20.239 -0.000 -0.471) 20.245 4.691 ( 9.490 -0.000 -14.351) 17.205 4.795 ( 19.219 -0.000 0.383) 19.223 4.987 ( 15.195 -0.000 6.597) 16.565 5.279 ( 14.536 -0.000 -6.391) 15.879 5.344 ( 8.597 -0.000 0.916) 8.646 5.402 ( 29.278 -0.000 -1.133) 29.300 5.543 ( 6.753 -0.000 -5.810) 8.908 5.636 ( 15.257 -0.000 -10.184) 18.344 5.799 ( 10.519 -0.000 6.481) 12.355 5.952 ( 3.034 -0.000 1.705) 3.480 6.060 ( 20.901 -0.000 -1.280) 20.940 6.110 ( 12.381 -0.000 -3.622) 12.900 6.205 ( 2.495 -0.000 -5.168) 5.739 6.226 ( -0.592 0.000 -5.473) 5.505 6.578 ( 12.039 -0.000 12.316) 17.223 6.693 ( 13.073 -0.000 2.500) 13.310 7.420 ( -2.326 0.000 6.552) 6.953 7.469 ( 5.069 -0.000 -4.326) 6.664 7.727 ( 3.958 -0.000 7.344) 8.343 8.259 ( -13.853 0.000 -1.891) 13.982 8.279 ( -7.982 0.000 8.701) 11.808 9.114 ( -0.680 0.000 -3.828) 3.888 9.393 ( -8.226 0.000 4.833) 9.541 10.027 ( -1.547 0.000 -1.639) 2.254 10.543 ( -6.929 0.000 -1.145) 7.023 10.580 ( -6.116 0.000 4.501) 7.594 10.600 ( 1.731 -0.000 -11.037) 11.172 10.982 ( 2.380 -0.000 -4.161) 4.794 11.013 ( 0.932 -0.000 2.235) 2.421 11.187 ( -0.198 0.000 4.763) 4.767 11.294 ( -9.474 0.000 7.390) 12.015 11.372 ( -0.120 0.000 -3.864) 3.866 11.611 ( -6.263 0.000 -2.392) 6.704 11.732 ( -23.175 0.000 -8.516) 24.690 11.940 ( 6.497 -0.000 10.616) 12.446 14.222 ( -8.352 0.000 -1.917) 8.569 14.323 ( -2.282 0.000 -4.588) 5.124 14.486 ( 3.850 -0.000 6.390) 7.460 14.537 ( 3.662 -0.000 -6.988) 7.890 14.784 ( 1.613 -0.000 3.783) 4.113 14.862 ( 1.663 -0.000 -0.167) 1.671 14.945 ( -2.077 0.000 -5.947) 6.300 15.003 ( 4.307 -0.000 3.135) 5.327 15.169 ( 0.961 -0.000 7.367) 7.430 15.608 ( 6.328 -0.000 8.144) 10.314 15.790 ( 0.116 -0.000 -6.459) 6.460 15.900 ( -3.651 0.000 -4.869) 6.086 25.190 ( -2.365 0.000 -2.287) 3.289 25.200 ( -3.791 0.000 2.179) 4.373 25.340 ( -1.039 0.000 0.906) 1.378 25.406 ( -3.003 0.000 -0.080) 3.004 25.518 ( 0.426 -0.000 0.433) 0.608 25.644 ( 4.331 -0.000 -2.947) 5.238 25.865 ( 0.607 -0.000 0.969) 1.144 26.151 ( -4.368 0.000 1.341) 4.570 26.477 ( 9.134 -0.000 -0.062) 9.134 26.614 ( 15.545 -0.000 2.224) 15.703 27.119 ( 22.227 -0.000 1.354) 22.268 28.165 ( 17.737 -0.000 -35.027) 39.262 29.316 ( -8.608 0.000 2.554) 8.979 29.384 ( -5.630 0.000 -0.216) 5.634 29.882 ( -20.961 0.000 39.639) 44.840 30.777 ( -22.346 0.000 -7.314) 23.513 ======================= Grid point 158 (59/138) ======================= q-point: ( 0.27 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( -8.841 -1.184 2.149) 9.175 1.617 ( -1.331 -1.389 10.323) 10.501 1.994 ( 13.885 -5.536 5.951) 16.089 2.225 ( 13.106 -2.743 5.805) 14.594 2.351 ( 12.517 -6.303 -0.170) 14.015 2.617 ( 13.373 -11.040 7.878) 19.047 2.787 ( 8.444 -8.966 8.955) 15.227 2.917 ( 3.361 -1.348 -12.742) 13.247 3.004 ( 5.884 -4.923 10.122) 12.701 3.256 ( 2.112 4.830 -1.714) 5.543 3.469 ( 4.395 -4.120 1.351) 6.174 3.494 ( 7.730 2.369 3.752) 8.913 3.620 ( 7.320 -1.796 -3.136) 8.163 3.794 ( 6.002 3.539 -1.472) 7.121 3.856 ( 0.031 0.947 -0.932) 1.329 3.950 ( 2.555 -3.513 -10.698) 11.547 4.185 ( 3.731 2.450 0.650) 4.510 4.276 ( -1.077 0.650 1.246) 1.771 4.440 ( 9.275 -4.593 -5.477) 11.710 4.732 ( 23.210 -7.469 0.715) 24.393 4.752 ( 12.242 -5.935 -9.019) 16.323 4.987 ( 16.237 -6.117 -3.698) 17.740 5.040 ( 16.569 -10.439 -4.742) 20.149 5.196 ( 9.286 -10.740 3.941) 14.734 5.365 ( 25.698 11.187 -1.598) 28.073 5.513 ( 5.563 -10.568 4.071) 12.617 5.645 ( 11.780 -5.125 -7.008) 14.634 5.659 ( 21.806 1.576 -4.586) 22.339 5.851 ( 16.876 2.535 6.565) 18.284 5.874 ( 11.313 -6.270 -2.570) 13.187 6.086 ( 6.165 -8.992 2.036) 11.091 6.159 ( 7.206 4.632 -9.899) 13.091 6.226 ( 6.272 -4.811 0.651) 7.931 6.295 ( 5.741 -7.443 -3.939) 10.192 6.409 ( 24.091 -4.863 3.101) 24.772 6.781 ( 12.267 -8.248 1.319) 14.840 6.927 ( 19.680 -8.321 -1.140) 21.397 7.383 ( -3.093 -0.224 9.553) 10.044 7.489 ( 7.257 4.246 -4.081) 9.346 7.718 ( 6.504 5.527 5.963) 10.412 8.034 ( -6.530 7.737 3.610) 10.749 8.278 ( -9.200 -3.204 4.341) 10.666 9.061 ( -3.410 1.844 -3.204) 5.029 9.357 ( -16.038 -4.493 2.988) 16.921 10.004 ( -1.405 1.214 1.299) 2.266 10.403 ( -7.353 4.905 -1.634) 8.989 10.459 ( -10.493 7.184 -2.217) 12.908 10.554 ( -2.663 6.452 -2.117) 7.294 10.918 ( -7.375 6.710 1.178) 10.040 10.980 ( -1.597 3.891 -8.075) 9.105 11.084 ( -5.228 6.193 4.254) 9.154 11.274 ( -3.605 -10.584 -0.482) 11.192 11.355 ( 1.578 6.115 5.576) 8.425 11.487 ( -2.334 -6.203 -5.266) 8.465 11.812 ( -13.724 -8.561 2.794) 16.415 11.936 ( 7.107 3.917 3.754) 8.942 14.110 ( -7.720 2.245 -1.552) 8.188 14.343 ( -2.321 -3.732 -4.716) 6.446 14.498 ( 2.696 1.801 5.617) 6.486 14.556 ( 3.484 1.283 -4.052) 5.496 14.746 ( -0.159 5.285 4.600) 7.008 14.875 ( 0.807 1.949 -5.645) 6.027 14.939 ( 2.241 -2.876 -0.380) 3.666 15.094 ( 2.856 -5.191 -0.873) 5.989 15.227 ( 2.746 -4.114 6.338) 8.040 15.593 ( 2.035 5.282 8.188) 9.954 15.790 ( 2.497 0.621 -6.906) 7.370 15.929 ( -0.554 -3.859 -4.266) 5.779 25.120 ( -2.676 2.932 -0.567) 4.010 25.204 ( -2.364 -1.915 -0.268) 3.054 25.328 ( -1.096 0.507 2.122) 2.442 25.393 ( -2.706 -1.445 -0.051) 3.068 25.498 ( 1.134 2.672 -1.969) 3.508 25.750 ( 0.591 -8.685 1.076) 8.771 25.852 ( 0.686 0.685 -0.364) 1.036 26.172 ( -6.974 -6.554 0.537) 9.586 26.516 ( 11.972 5.354 0.434) 13.121 26.799 ( 11.633 -4.043 -1.046) 12.360 27.339 ( 24.886 0.853 5.198) 25.437 28.325 ( 11.796 -2.251 -25.607) 28.283 29.234 ( -7.475 -0.083 3.727) 8.353 29.328 ( -4.710 0.672 0.422) 4.776 29.705 ( -14.451 1.353 27.043) 30.692 30.491 ( -21.794 7.456 -8.421) 24.525 ======================= Grid point 159 (60/138) ======================= q-point: ( 0.36 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( -11.779 -4.651 1.321) 12.733 1.566 ( -9.899 -1.234 2.481) 10.280 2.225 ( 12.577 -4.532 9.508) 16.405 2.454 ( 15.677 -7.621 11.690) 20.988 2.589 ( 10.849 -7.912 1.768) 13.544 2.868 ( 12.160 -3.499 -6.587) 14.265 2.998 ( 7.210 -2.234 -7.885) 10.915 3.062 ( 3.166 -11.117 5.848) 12.954 3.149 ( 4.434 -5.118 6.243) 9.210 3.195 ( 0.604 -0.627 4.067) 4.160 3.400 ( 0.090 5.356 1.031) 5.455 3.601 ( 1.950 1.400 0.686) 2.497 3.665 ( -0.768 -1.808 3.602) 4.103 3.815 ( 3.191 0.531 -0.965) 3.376 3.867 ( 5.088 0.257 0.757) 5.150 4.094 ( 5.910 -4.412 -11.102) 13.328 4.171 ( 2.659 -0.256 0.169) 2.677 4.274 ( 0.201 -0.635 2.202) 2.301 4.613 ( 4.394 -8.176 -6.790) 11.500 4.968 ( 12.106 -5.063 -11.937) 17.739 5.096 ( 14.096 -11.239 4.696) 18.630 5.137 ( 11.138 1.245 -2.468) 11.476 5.267 ( 8.645 0.644 2.264) 8.960 5.444 ( 16.294 -4.346 -4.279) 17.398 5.535 ( 16.788 -6.200 -3.268) 18.192 5.675 ( 12.812 3.873 -1.606) 13.480 5.785 ( 4.525 -9.441 -1.885) 10.638 5.962 ( 9.103 -16.300 -0.099) 18.670 6.026 ( 25.903 5.326 3.239) 26.642 6.107 ( 10.362 -6.997 -1.472) 12.590 6.187 ( 9.893 -2.863 -1.330) 10.384 6.334 ( 4.549 -13.306 5.883) 15.244 6.436 ( 8.780 -13.869 -1.322) 16.468 6.485 ( 4.723 -8.798 -2.087) 10.202 6.753 ( 18.848 -8.872 -3.111) 21.062 7.030 ( 9.665 -7.467 -4.564) 13.039 7.179 ( 7.376 0.522 3.919) 8.368 7.422 ( 6.520 -2.313 6.614) 9.571 7.505 ( 9.931 1.834 -2.406) 10.382 7.738 ( 9.434 -0.825 -0.887) 9.512 7.905 ( 0.783 4.097 7.507) 8.588 8.218 ( -7.958 -0.256 2.524) 8.353 8.985 ( -7.624 1.578 -2.578) 8.202 9.188 ( -17.900 4.120 2.429) 18.528 9.932 ( -6.979 4.490 2.573) 8.688 10.159 ( -13.933 6.903 2.382) 15.731 10.294 ( -4.931 5.399 -10.467) 12.768 10.388 ( -0.149 7.595 4.556) 8.858 10.756 ( -1.298 9.633 -1.237) 9.798 10.802 ( -10.256 5.788 -3.558) 12.302 11.030 ( 2.669 2.373 -3.417) 4.942 11.274 ( 5.269 7.746 11.246) 14.636 11.363 ( -10.450 -5.092 0.118) 11.625 11.563 ( 2.206 2.658 2.578) 4.310 11.762 ( -4.583 -6.399 -9.044) 11.989 12.009 ( -3.445 -7.251 4.350) 9.131 14.025 ( -4.503 0.658 0.017) 4.551 14.379 ( -1.739 -2.708 -4.581) 5.599 14.496 ( 2.972 1.778 4.863) 5.970 14.571 ( 1.556 -0.502 -0.569) 1.732 14.649 ( 0.275 5.489 -0.053) 5.496 14.873 ( 1.366 -0.349 -4.141) 4.374 14.973 ( -0.889 -1.268 -0.094) 1.551 15.240 ( 5.289 -5.238 2.357) 7.808 15.313 ( 3.804 -0.936 2.747) 4.784 15.529 ( -1.114 1.162 5.439) 5.673 15.826 ( 3.209 -1.446 -6.938) 7.779 15.969 ( -0.428 -1.189 -1.760) 2.167 25.058 ( -1.327 2.041 -0.459) 2.477 25.210 ( -1.655 -1.031 -0.540) 2.023 25.304 ( -0.618 1.253 2.090) 2.514 25.380 ( -3.979 -0.260 0.369) 4.005 25.468 ( 3.233 2.806 -2.211) 4.818 25.859 ( -0.700 -3.546 1.586) 3.947 25.933 ( -0.967 -10.430 -0.361) 10.481 26.196 ( -8.653 -5.244 0.192) 10.120 26.548 ( 11.987 4.724 0.509) 12.894 26.952 ( 8.433 -2.499 -2.193) 9.065 27.558 ( 23.523 1.315 4.489) 23.984 28.461 ( 7.843 -3.399 -14.070) 16.463 29.188 ( -5.126 -1.606 3.910) 6.644 29.269 ( -3.602 1.774 2.526) 4.743 29.563 ( -10.747 1.470 12.982) 16.917 30.144 ( -18.803 9.374 -7.599) 22.342 ======================= Grid point 160 (61/138) ======================= q-point: ( 0.45 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( -10.439 -8.169 2.652) 13.518 1.509 ( -10.454 -4.087 -0.586) 11.240 2.405 ( 9.616 -4.345 10.023) 14.553 2.709 ( 11.809 -4.188 13.995) 18.785 2.803 ( 8.396 -6.778 0.620) 10.809 2.956 ( 6.643 1.942 -5.383) 8.768 3.091 ( 6.197 4.649 -0.385) 7.756 3.117 ( 0.942 -0.364 -4.181) 4.301 3.228 ( 0.017 -6.918 3.538) 7.770 3.367 ( 8.001 -2.397 2.871) 8.832 3.378 ( 0.086 -5.801 -0.309) 5.810 3.529 ( -2.501 3.920 0.782) 4.715 3.707 ( 2.054 -2.248 4.064) 5.078 3.820 ( 0.336 1.118 -2.826) 3.058 3.916 ( 4.273 0.433 0.435) 4.317 4.075 ( -0.301 2.667 -3.305) 4.258 4.260 ( -2.502 -2.028 6.972) 7.680 4.308 ( 9.797 1.000 -3.861) 10.577 4.787 ( -2.086 -10.697 -8.645) 13.911 5.087 ( 10.954 5.438 -14.436) 18.920 5.152 ( 5.264 4.990 1.280) 7.365 5.279 ( 4.148 -1.817 -0.949) 4.627 5.413 ( 13.574 -5.456 7.542) 16.459 5.626 ( 18.407 4.753 -9.353) 21.187 5.685 ( 17.638 4.638 -0.741) 18.253 5.876 ( 9.254 -3.674 -2.933) 10.380 5.918 ( 7.394 -7.885 1.570) 10.923 6.128 ( 22.370 7.557 -1.019) 23.634 6.269 ( 6.294 -9.481 3.523) 11.913 6.379 ( 8.037 -5.995 6.612) 12.010 6.393 ( 2.355 -18.422 -2.055) 18.685 6.651 ( 2.000 -17.883 1.324) 18.043 6.696 ( 3.061 -12.090 0.453) 12.480 6.816 ( 7.298 -20.818 -1.880) 22.140 6.984 ( 5.920 -4.748 -3.000) 8.160 7.138 ( -0.709 2.151 5.567) 6.010 7.177 ( 5.178 -1.489 -5.115) 7.429 7.510 ( 7.957 4.129 -1.118) 9.034 7.545 ( 2.756 0.668 4.492) 5.312 7.808 ( 0.404 0.721 -0.708) 1.088 7.968 ( 3.014 -5.065 2.452) 6.384 8.166 ( -4.310 -0.918 1.152) 4.555 8.838 ( -14.902 2.829 -0.033) 15.169 8.949 ( -8.783 6.836 -0.423) 11.138 9.744 ( -11.117 4.033 1.674) 11.944 9.967 ( -5.953 5.805 1.766) 8.500 10.226 ( 1.299 -0.691 -4.366) 4.607 10.302 ( 3.339 6.087 1.323) 7.067 10.545 ( 0.307 12.436 0.478) 12.449 10.649 ( -2.021 6.100 -3.175) 7.167 11.024 ( 1.026 0.391 -3.644) 3.806 11.163 ( 7.978 15.334 11.649) 20.844 11.294 ( -6.785 -0.279 1.623) 6.982 11.478 ( -2.381 3.526 -3.087) 5.257 11.913 ( -7.732 -13.733 -9.746) 18.531 12.090 ( -4.106 -6.984 6.562) 10.426 13.998 ( -0.731 -0.184 1.367) 1.561 14.399 ( -2.467 -2.466 -3.308) 4.807 14.483 ( 2.297 3.623 5.009) 6.595 14.567 ( -0.275 1.782 0.475) 1.865 14.628 ( 1.990 -2.052 -2.326) 3.686 14.905 ( -0.229 -2.224 -4.484) 5.011 14.984 ( -0.859 -1.477 0.552) 1.796 15.251 ( 2.951 6.329 5.881) 9.130 15.394 ( 4.993 -3.007 -1.425) 6.000 15.560 ( 1.332 -3.113 4.027) 5.262 15.880 ( 1.100 -1.715 -7.358) 7.635 15.961 ( -2.286 -0.015 0.377) 2.317 25.029 ( 0.396 0.782 -0.150) 0.889 25.206 ( -0.465 0.258 -0.512) 0.738 25.279 ( -0.280 1.310 1.403) 1.939 25.330 ( -4.596 0.531 -0.130) 4.629 25.470 ( 5.273 2.149 -0.943) 5.771 25.922 ( -0.033 -4.243 0.539) 4.277 26.063 ( -3.519 -5.791 0.057) 6.776 26.201 ( -10.262 -7.573 0.194) 12.755 26.586 ( 11.285 4.230 0.701) 12.072 27.037 ( 3.971 -0.357 -1.839) 4.391 27.736 ( 20.988 3.490 1.937) 21.364 28.583 ( 4.174 -3.755 -5.339) 7.748 29.186 ( -2.346 -1.799 4.983) 5.794 29.203 ( -3.407 1.112 3.262) 4.846 29.453 ( -7.641 1.320 1.404) 7.880 29.851 ( -14.071 5.478 -4.875) 15.867 ======================= Grid point 161 (62/138) ======================= q-point: ( 0.55 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( -8.378 -9.670 3.738) 13.329 1.504 ( -8.682 -6.337 -1.877) 10.911 2.530 ( 6.838 0.404 11.638) 13.505 2.799 ( 4.226 1.533 8.650) 9.748 2.907 ( -0.454 1.275 0.334) 1.394 3.006 ( 7.729 7.514 5.417) 12.064 3.051 ( 6.574 -5.499 -3.164) 9.136 3.138 ( 0.872 2.017 -1.403) 2.607 3.295 ( -2.820 -2.261 -2.170) 4.215 3.379 ( -4.131 2.176 0.563) 4.703 3.480 ( 4.508 -2.325 -1.256) 5.225 3.533 ( 5.199 -1.441 0.804) 5.454 3.726 ( -1.954 6.215 -3.807) 7.546 3.797 ( 8.707 2.068 2.003) 9.171 3.934 ( -1.287 -2.997 -3.018) 4.444 4.096 ( 5.970 -1.954 0.438) 6.297 4.259 ( -3.741 -3.043 11.864) 12.807 4.369 ( 8.186 2.103 -2.653) 8.858 4.900 ( -4.903 -6.604 -12.041) 14.582 5.032 ( 4.062 7.970 -6.340) 10.964 5.088 ( 5.397 7.251 -3.880) 9.837 5.368 ( 5.121 -1.251 -3.635) 6.404 5.560 ( 13.410 3.778 6.264) 15.276 5.656 ( 10.460 6.652 -8.410) 14.979 5.753 ( 18.696 8.792 0.935) 20.681 5.895 ( 14.219 10.799 2.294) 18.002 6.115 ( 12.958 1.309 2.949) 13.354 6.253 ( 7.545 -2.389 -2.793) 8.393 6.477 ( 4.020 -9.720 3.090) 10.963 6.521 ( 3.668 -4.634 5.262) 7.913 6.589 ( -5.219 -5.171 -0.254) 7.351 6.803 ( 4.617 1.093 -1.202) 4.895 6.862 ( -1.639 -4.057 1.037) 4.497 7.065 ( -3.828 -2.875 -1.705) 5.082 7.126 ( -4.233 3.004 1.949) 5.544 7.221 ( 4.504 -15.843 -1.372) 16.528 7.296 ( 2.310 -7.152 -4.914) 8.980 7.432 ( -1.239 -0.519 -0.069) 1.345 7.536 ( -5.302 -0.035 2.705) 5.952 7.785 ( -4.389 -2.257 -1.501) 5.159 8.011 ( -10.323 -7.110 2.555) 12.793 8.073 ( -14.407 4.431 0.796) 15.094 8.700 ( -7.424 -1.481 -0.547) 7.590 8.787 ( -4.185 5.290 0.162) 6.747 9.630 ( -5.670 0.746 4.081) 7.026 9.862 ( -0.144 2.986 -1.550) 3.367 10.248 ( 7.866 5.591 -0.390) 9.658 10.299 ( 4.808 1.200 1.081) 5.072 10.409 ( 8.184 3.400 0.164) 8.864 10.585 ( 7.162 4.855 -7.041) 11.155 10.949 ( 4.205 14.984 7.140) 17.123 11.039 ( -0.556 -1.859 -0.954) 2.163 11.260 ( -4.492 -1.379 0.434) 4.719 11.447 ( 1.286 -1.057 1.134) 2.014 11.994 ( -7.087 -4.372 -5.695) 10.088 12.177 ( -8.954 -10.563 2.702) 14.109 14.009 ( 2.325 -0.039 2.369) 3.320 14.415 ( -2.219 0.208 -2.435) 3.301 14.424 ( -1.481 0.697 3.275) 3.661 14.556 ( 3.152 2.100 0.420) 3.811 14.684 ( -0.375 -3.168 -0.601) 3.246 14.905 ( -4.466 -0.664 -5.144) 6.845 15.026 ( 0.920 -3.115 0.924) 3.377 15.191 ( 5.016 4.509 4.052) 7.868 15.469 ( 5.343 -0.162 0.238) 5.351 15.618 ( 2.842 -1.032 1.661) 3.450 15.853 ( -3.174 3.344 -1.470) 4.839 15.965 ( -3.425 -3.208 -3.559) 5.890 25.039 ( 2.170 -0.324 0.203) 2.204 25.191 ( 0.153 1.278 -0.386) 1.344 25.256 ( -0.055 1.106 0.274) 1.141 25.294 ( -4.107 -1.472 0.206) 4.368 25.493 ( 6.991 2.210 -0.277) 7.337 25.989 ( 0.880 -2.912 -0.001) 3.042 26.049 ( -6.973 -0.412 0.111) 6.986 26.249 ( -10.127 -8.438 -0.016) 13.182 26.622 ( 10.084 3.929 0.820) 10.854 27.036 ( -0.960 2.067 -1.366) 2.656 27.842 ( 18.524 6.716 0.936) 19.726 28.615 ( -3.434 1.949 -0.888) 4.047 29.179 ( -0.590 -1.494 4.377) 4.663 29.222 ( -1.045 -3.276 2.776) 4.419 29.383 ( -3.546 -1.307 -3.643) 5.249 29.715 ( -7.821 -1.678 -2.639) 8.423 ======================= Grid point 162 (63/138) ======================= q-point: (-0.36 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( -5.877 -10.495 4.174) 12.732 1.549 ( -5.630 -7.371 -2.340) 9.566 2.502 ( 3.438 8.644 11.030) 14.429 2.750 ( -1.752 6.294 10.803) 12.625 2.859 ( 1.701 4.039 0.584) 4.421 2.960 ( 7.111 6.712 2.137) 10.009 3.049 ( -3.617 6.350 -0.742) 7.346 3.201 ( 0.388 -4.179 -0.504) 4.227 3.241 ( -3.051 4.609 -3.610) 6.602 3.302 ( 0.114 2.981 2.787) 4.082 3.530 ( 7.481 4.350 1.379) 8.763 3.555 ( -1.504 5.095 -8.934) 10.394 3.630 ( 1.340 -3.512 1.446) 4.027 3.801 ( 1.768 3.464 -0.622) 3.938 4.022 ( 2.604 -4.570 -1.373) 5.436 4.215 ( 7.974 -3.071 0.033) 8.545 4.311 ( -2.911 -5.725 11.087) 12.813 4.396 ( 8.219 3.769 -0.658) 9.066 4.907 ( -0.556 1.938 -16.376) 16.500 4.918 ( -5.116 5.666 2.004) 7.893 5.028 ( 5.426 5.851 -9.136) 12.130 5.378 ( 0.170 3.547 -5.260) 6.346 5.559 ( 12.565 10.147 4.639) 16.803 5.635 ( 11.899 9.168 -1.592) 15.105 5.754 ( 15.401 10.987 1.530) 18.980 5.792 ( 13.230 16.212 1.559) 20.983 6.181 ( 6.090 2.282 1.193) 6.613 6.260 ( 7.560 8.493 -0.795) 11.398 6.454 ( -12.185 9.978 4.566) 16.398 6.587 ( -3.421 -1.441 0.727) 3.783 6.630 ( -2.440 -2.223 1.213) 3.517 6.702 ( -4.752 10.298 5.021) 12.403 6.851 ( -7.313 2.297 -4.648) 8.964 6.956 ( -6.127 4.486 -2.571) 8.017 6.993 ( -5.096 6.385 -1.839) 8.374 7.232 ( -7.331 3.522 0.916) 8.184 7.308 ( 1.005 -2.954 -4.515) 5.489 7.534 ( -1.728 0.326 0.005) 1.758 7.551 ( -8.696 4.116 0.451) 9.631 7.775 ( -9.842 2.510 -1.833) 10.321 7.838 ( -4.856 -5.531 3.359) 8.091 8.094 ( -9.821 -10.122 2.346) 14.297 8.738 ( -0.114 -4.100 0.911) 4.201 8.750 ( -1.690 -9.708 -0.660) 9.876 9.596 ( -3.372 -2.534 5.343) 6.808 9.842 ( 0.807 -0.168 -3.317) 3.418 10.247 ( 9.292 6.069 -0.358) 11.104 10.324 ( 10.099 -1.990 -1.285) 10.373 10.510 ( 4.522 6.427 -2.239) 8.172 10.609 ( 10.816 -4.623 -2.331) 11.991 10.850 ( 5.498 0.892 4.919) 7.431 11.077 ( -3.257 -4.591 2.302) 6.082 11.255 ( -2.202 -2.219 -1.621) 3.521 11.530 ( 8.641 -2.328 3.063) 9.459 11.943 ( -7.210 1.434 -3.548) 8.163 12.237 ( -12.952 -8.551 0.147) 15.521 14.041 ( 4.183 0.210 2.697) 4.981 14.358 ( 1.428 3.137 1.190) 3.646 14.439 ( -3.271 -2.328 -3.279) 5.184 14.532 ( 0.475 3.086 1.489) 3.459 14.723 ( 0.307 -1.945 0.654) 2.075 14.872 ( -6.087 -2.105 -3.677) 7.416 15.064 ( 1.751 0.933 1.565) 2.527 15.208 ( 4.319 -0.890 1.805) 4.765 15.510 ( 6.765 2.254 1.323) 7.252 15.648 ( 3.551 1.388 -0.775) 3.891 15.746 ( -5.543 3.358 0.515) 6.502 15.964 ( -5.767 -1.647 -3.955) 7.185 25.075 ( 3.044 -0.629 0.525) 3.152 25.172 ( -0.234 0.628 -0.786) 1.033 25.249 ( 0.453 -0.208 -0.002) 0.499 25.298 ( -3.077 -2.957 0.477) 4.294 25.531 ( 8.840 2.245 0.114) 9.121 25.954 ( -8.311 1.469 -0.590) 8.460 26.051 ( 1.349 -1.986 0.297) 2.419 26.265 ( -9.872 -5.029 -0.101) 11.079 26.640 ( 8.261 4.927 0.875) 9.658 26.952 ( -4.860 4.498 -1.350) 6.759 27.870 ( 16.017 9.946 1.859) 18.945 28.459 ( -9.712 7.445 -1.900) 12.384 29.193 ( -1.798 -1.569 5.256) 5.772 29.268 ( -0.371 -2.947 1.755) 3.450 29.500 ( 5.164 -10.687 -4.106) 12.559 29.729 ( -4.315 -6.405 -1.853) 7.942 ======================= Grid point 163 (64/138) ======================= q-point: (-0.27 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( -3.327 -10.292 4.306) 11.642 1.639 ( -2.080 -7.834 -2.641) 8.525 2.347 ( 2.238 12.667 10.236) 16.439 2.580 ( -3.543 10.050 14.431) 17.939 2.784 ( 1.768 8.578 0.273) 8.762 2.853 ( 0.498 12.478 -2.848) 12.808 2.897 ( 1.487 7.634 -1.754) 7.973 3.072 ( -6.576 9.704 -2.948) 12.087 3.179 ( 3.029 5.314 7.074) 9.352 3.315 ( 0.948 -0.805 0.682) 1.418 3.495 ( 0.549 2.075 -1.736) 2.761 3.516 ( 2.472 1.998 -0.770) 3.271 3.708 ( -0.589 -2.413 -0.173) 2.490 3.764 ( -0.522 -0.219 -2.665) 2.725 4.093 ( 2.322 -0.699 -0.256) 2.438 4.288 ( 2.053 4.590 2.616) 5.668 4.327 ( 4.114 1.080 -4.777) 6.396 4.430 ( 3.944 1.490 6.122) 7.433 4.724 ( -6.206 9.800 2.460) 11.858 4.839 ( 1.312 7.033 -13.739) 15.490 4.988 ( 1.234 3.068 -9.350) 9.917 5.259 ( -2.311 9.251 -6.781) 11.701 5.451 ( 4.765 14.192 6.311) 16.246 5.553 ( 9.382 13.063 -3.898) 16.549 5.643 ( 11.967 13.167 5.859) 18.733 5.713 ( 15.406 13.918 0.967) 20.784 6.025 ( -15.956 17.993 2.123) 24.142 6.101 ( -6.407 11.598 -1.195) 13.304 6.188 ( 11.808 12.139 -1.920) 17.043 6.304 ( -17.677 12.600 -1.461) 21.757 6.485 ( -6.560 8.465 6.087) 12.319 6.587 ( -6.582 7.028 1.451) 9.737 6.737 ( -1.295 3.977 -3.241) 5.292 6.830 ( -8.452 3.620 0.162) 9.196 6.906 ( -1.764 2.481 -0.704) 3.124 7.139 ( -7.582 5.754 -1.531) 9.640 7.209 ( -3.337 4.860 -1.163) 6.009 7.318 ( -1.138 4.922 -4.587) 6.824 7.515 ( 1.447 8.854 3.858) 9.766 7.617 ( -1.670 12.857 -1.185) 13.019 7.884 ( 3.691 0.770 3.998) 5.495 8.108 ( -7.613 -4.573 0.493) 8.895 8.918 ( 3.301 -13.748 -0.075) 14.139 8.972 ( -2.859 -17.024 1.431) 17.322 9.673 ( -1.078 -9.072 4.302) 10.098 9.907 ( 0.283 -6.772 -5.100) 8.482 10.286 ( 6.560 -1.127 -1.959) 6.939 10.341 ( -2.491 3.062 -0.333) 3.961 10.590 ( 14.309 -6.817 0.405) 15.855 10.796 ( 1.921 -7.801 0.454) 8.046 10.947 ( 6.918 -2.818 2.927) 8.023 11.119 ( -7.306 -6.633 1.297) 9.953 11.307 ( 5.360 -2.963 0.350) 6.135 11.652 ( 6.633 -1.380 1.383) 6.915 11.829 ( -2.206 5.417 -1.503) 6.039 12.200 ( -15.209 -3.227 -0.829) 15.570 14.080 ( 4.322 0.045 1.834) 4.696 14.359 ( 5.195 0.721 1.957) 5.598 14.421 ( -0.214 1.779 -8.806) 8.986 14.476 ( -4.959 0.801 2.688) 5.697 14.762 ( 1.910 -1.119 2.331) 3.215 14.853 ( -6.443 -2.709 -2.359) 7.377 15.040 ( 2.447 3.637 4.618) 6.367 15.273 ( -0.055 -3.204 -1.942) 3.747 15.515 ( 5.894 5.163 3.126) 8.436 15.599 ( 2.214 6.274 0.824) 6.704 15.703 ( -2.440 -2.247 -1.615) 3.689 15.907 ( -6.307 0.841 -4.397) 7.734 25.105 ( 1.271 -0.315 1.159) 1.749 25.173 ( 0.626 -0.567 -2.230) 2.384 25.276 ( 0.760 -2.207 1.192) 2.621 25.331 ( -2.022 -3.894 0.004) 4.388 25.587 ( 10.041 2.136 0.719) 10.291 25.837 ( -9.861 1.740 -0.904) 10.054 26.097 ( 4.540 -0.324 -0.024) 4.552 26.231 ( -9.816 -2.319 -0.082) 10.087 26.613 ( 6.455 6.805 1.188) 9.455 26.802 ( -6.195 6.723 -2.039) 9.367 27.804 ( 9.749 13.862 5.920) 17.951 28.236 ( -7.487 7.556 -7.467) 12.997 29.219 ( -0.915 -3.024 6.651) 7.363 29.316 ( 0.062 -2.987 0.980) 3.144 29.733 ( 4.268 -8.313 -0.689) 9.370 29.867 ( -0.920 -15.352 -3.758) 15.832 ======================= Grid point 164 (65/138) ======================= q-point: (-0.18 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( -2.795 -6.348 4.853) 8.465 1.768 ( 1.808 -7.348 -2.620) 8.008 2.141 ( 1.566 14.072 11.245) 18.082 2.374 ( -2.220 11.388 15.856) 19.647 2.591 ( -3.114 10.525 -6.736) 12.878 2.651 ( 0.739 15.108 -0.070) 15.127 2.774 ( 6.693 10.790 -1.531) 12.789 2.814 ( -1.334 14.587 -2.690) 14.892 3.129 ( 1.573 3.527 11.239) 11.884 3.301 ( -2.096 3.863 4.327) 6.167 3.450 ( 0.327 3.009 1.689) 3.466 3.515 ( -2.082 -0.554 -2.246) 3.112 3.672 ( -0.074 3.853 -4.390) 5.842 3.805 ( 0.045 -2.528 -1.533) 2.957 4.068 ( -1.047 5.660 0.235) 5.761 4.184 ( 3.417 8.653 1.686) 9.455 4.307 ( -3.819 4.410 0.673) 5.873 4.324 ( -2.298 8.325 -10.142) 13.321 4.567 ( 4.772 8.091 6.873) 11.639 4.690 ( -1.122 10.372 -10.655) 14.912 4.910 ( -1.011 8.278 -8.494) 11.903 5.024 ( -2.093 13.015 -4.099) 13.805 5.250 ( 7.505 16.365 -0.957) 18.029 5.335 ( -6.193 14.719 -1.932) 16.085 5.525 ( -8.303 22.161 0.978) 23.686 5.539 ( 12.455 19.422 0.761) 23.085 5.580 ( 4.267 11.980 8.813) 15.473 5.864 ( -4.077 6.090 -1.260) 7.437 6.029 ( 0.493 14.076 -3.970) 14.634 6.085 ( 0.558 8.241 -4.078) 9.212 6.267 ( 2.709 15.296 2.524) 15.737 6.321 ( -6.173 6.413 6.376) 10.949 6.653 ( 4.640 8.395 -1.461) 9.702 6.671 ( -6.558 8.783 -1.157) 11.023 6.846 ( 1.647 11.193 3.442) 11.826 7.063 ( -0.137 3.050 -1.443) 3.377 7.077 ( 2.024 18.894 -7.675) 20.494 7.132 ( 0.127 2.731 -4.435) 5.210 7.340 ( -0.333 14.401 3.593) 14.847 7.402 ( -0.642 4.090 1.975) 4.588 7.948 ( 1.181 -5.525 7.556) 9.435 8.145 ( -1.927 -5.368 -1.710) 5.954 9.186 ( -3.773 -12.337 1.710) 13.014 9.225 ( 3.386 -17.825 1.253) 18.187 9.858 ( 2.111 -11.542 2.376) 11.971 10.006 ( -0.740 -3.615 -4.965) 6.186 10.328 ( -4.810 -7.024 0.445) 8.525 10.409 ( 3.444 -7.202 -2.008) 8.231 10.850 ( 7.186 -8.465 2.671) 11.421 10.873 ( -10.538 -6.222 2.086) 12.415 11.035 ( 3.160 -1.565 2.109) 4.109 11.185 ( -4.882 -9.361 -6.213) 12.250 11.475 ( 9.323 -6.114 4.762) 12.123 11.615 ( -5.581 1.858 -3.959) 7.090 11.802 ( 13.671 5.960 7.568) 16.724 12.068 ( -11.884 2.128 -3.568) 12.589 14.120 ( 2.695 -0.630 0.371) 2.792 14.352 ( -0.064 2.781 -6.519) 7.088 14.401 ( -7.556 0.665 2.280) 7.920 14.472 ( 7.973 -2.450 -3.496) 9.044 14.783 ( -0.779 -0.467 4.203) 4.300 14.839 ( -2.669 -0.905 -1.367) 3.133 15.015 ( 2.998 2.127 7.423) 8.283 15.282 ( -3.933 0.005 -6.500) 7.597 15.436 ( 0.354 6.992 4.442) 8.291 15.568 ( 3.945 1.646 4.617) 6.292 15.682 ( -1.630 3.747 -1.998) 4.549 15.866 ( -0.929 -1.825 -6.939) 7.235 25.116 ( -0.898 -1.085 1.324) 1.933 25.201 ( 1.658 -1.517 -3.005) 3.752 25.325 ( -0.657 -3.230 2.594) 4.194 25.388 ( -0.200 -4.111 -0.790) 4.191 25.629 ( 1.225 1.957 2.244) 3.220 25.730 ( -0.906 2.457 -2.097) 3.355 26.133 ( -1.534 2.526 0.684) 3.033 26.178 ( 1.028 -1.177 -1.324) 2.048 26.535 ( -0.002 6.795 1.591) 6.978 26.635 ( 0.297 8.315 -3.164) 8.901 27.572 ( -3.005 17.509 10.403) 20.587 28.098 ( 3.865 7.021 -14.743) 16.781 29.272 ( -0.773 -3.982 7.698) 8.701 29.367 ( -0.058 -2.953 0.569) 3.008 29.874 ( -0.799 -8.082 5.616) 9.874 30.179 ( 0.793 -20.014 -6.561) 21.077 ======================= Grid point 165 (66/138) ======================= q-point: (-0.09 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( -2.873 5.432 6.469) 8.923 1.819 ( 4.627 13.298 12.642) 18.923 1.953 ( -2.003 3.294 -1.736) 4.228 2.163 ( -3.276 10.251 11.938) 16.072 2.367 ( -0.562 12.077 2.012) 12.256 2.470 ( 4.481 5.422 -9.025) 11.443 2.605 ( 5.480 12.448 -1.685) 13.705 2.693 ( 11.217 9.310 -2.949) 14.873 3.042 ( 5.356 17.530 16.802) 24.866 3.168 ( 3.443 4.810 11.081) 12.561 3.403 ( 1.093 3.860 1.445) 4.264 3.486 ( -5.290 -0.591 -3.515) 6.379 3.627 ( -2.058 1.069 -4.896) 5.417 3.821 ( 0.673 1.138 -0.796) 1.543 3.877 ( -4.394 11.245 -2.417) 12.313 4.053 ( -5.440 6.621 1.773) 8.751 4.168 ( 0.464 6.314 -10.244) 12.042 4.228 ( 0.041 4.111 -4.161) 5.850 4.455 ( 7.455 13.304 1.983) 15.379 4.504 ( 5.190 11.623 -4.613) 13.540 4.718 ( 1.416 10.338 -7.023) 12.578 4.863 ( 5.316 10.567 -5.674) 13.120 4.990 ( 0.175 15.646 -0.306) 15.650 5.040 ( 6.356 24.338 0.171) 25.155 5.155 ( 1.149 11.768 -5.875) 13.203 5.271 ( 4.857 19.754 -0.563) 20.350 5.476 ( 4.511 8.978 8.529) 13.179 5.715 ( -0.769 7.870 -6.632) 10.320 5.886 ( 6.144 8.176 2.490) 10.526 5.965 ( 4.239 8.955 -4.955) 11.078 6.123 ( 10.772 15.978 8.964) 21.253 6.172 ( -3.703 5.955 4.675) 8.428 6.388 ( 0.439 14.462 -0.273) 14.472 6.539 ( 1.471 15.333 -0.694) 15.419 6.604 ( 8.285 16.217 0.292) 18.213 6.740 ( 2.543 19.546 -7.898) 21.234 7.019 ( 2.722 5.812 -0.095) 6.418 7.057 ( -0.365 7.543 -7.054) 10.333 7.240 ( -0.505 -3.298 5.238) 6.210 7.434 ( 1.226 -6.157 2.048) 6.603 8.053 ( -5.896 -8.741 6.528) 12.401 8.258 ( 3.894 -7.141 0.302) 8.139 9.276 ( -9.311 -5.947 2.122) 11.250 9.571 ( 5.893 -16.076 0.742) 17.138 10.029 ( -2.514 -3.222 -1.118) 4.237 10.069 ( 4.797 -8.632 2.072) 10.090 10.421 ( -6.461 -9.123 -2.842) 11.535 10.594 ( 5.435 -9.040 -2.800) 10.913 10.831 ( -14.569 -4.890 1.820) 15.475 10.953 ( -7.760 -5.536 3.504) 10.155 11.060 ( -1.793 -0.651 2.450) 3.105 11.304 ( -2.683 -4.140 -6.567) 8.213 11.420 ( -8.903 -1.647 -0.844) 9.093 11.665 ( 5.328 8.354 1.490) 10.020 11.866 ( -0.090 1.708 -6.653) 6.870 12.076 ( 18.223 -11.821 10.794) 24.255 14.144 ( -2.783 -1.236 -0.370) 3.068 14.273 ( -5.500 1.565 -6.939) 8.992 14.359 ( -0.154 -0.144 -1.295) 1.312 14.570 ( 4.564 -0.631 -2.046) 5.042 14.760 ( -2.851 1.557 3.804) 5.002 14.843 ( 0.443 -1.218 3.256) 3.504 15.016 ( 2.743 2.600 4.799) 6.109 15.224 ( -2.588 1.412 -3.631) 4.677 15.307 ( -2.403 6.755 2.290) 7.527 15.537 ( -1.321 5.086 4.239) 6.752 15.648 ( 5.624 0.024 -2.260) 6.061 15.925 ( 1.567 -3.806 -6.677) 7.843 25.130 ( -1.954 -2.273 0.807) 3.104 25.255 ( 2.310 -2.671 -2.673) 4.429 25.365 ( -2.577 -3.232 2.545) 4.854 25.454 ( 0.532 -3.184 -0.202) 3.234 25.525 ( -10.038 2.328 0.515) 10.317 25.754 ( 11.784 4.035 0.079) 12.456 26.012 ( -6.706 4.937 0.224) 8.330 26.227 ( 5.065 4.347 -1.996) 6.967 26.437 ( 2.303 0.691 0.045) 2.405 26.554 ( 8.641 7.248 -2.462) 11.544 27.201 ( -9.345 19.150 10.065) 23.566 28.042 ( 11.154 8.737 -20.110) 24.600 29.333 ( -1.575 -4.341 7.839) 9.098 29.409 ( -1.373 -2.748 0.461) 3.106 30.001 ( -5.638 -10.528 14.101) 18.479 30.513 ( -3.522 -21.008 -7.387) 22.546 ======================= Grid point 169 (67/138) ======================= q-point: ( 0.27 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( -13.898 0.000 -1.898) 14.027 1.563 ( -9.112 0.000 10.087) 13.594 2.107 ( 19.451 -0.000 5.756) 20.285 2.328 ( 11.533 -0.000 5.372) 12.722 2.437 ( 17.005 -0.000 -3.192) 17.302 2.646 ( 12.687 -0.000 20.414) 24.035 2.773 ( 6.653 -0.000 2.547) 7.124 2.923 ( 4.017 -0.000 -13.755) 14.329 3.032 ( 7.454 -0.000 10.926) 13.226 3.329 ( -1.385 0.000 -6.069) 6.225 3.427 ( -1.476 0.000 5.538) 5.731 3.601 ( 9.174 -0.000 2.280) 9.453 3.649 ( 1.447 -0.000 -6.333) 6.496 3.841 ( -5.737 0.000 3.551) 6.747 3.848 ( 1.049 -0.000 -9.166) 9.226 3.973 ( 9.205 -0.000 -2.065) 9.434 4.229 ( -6.073 0.000 -3.485) 7.002 4.234 ( -0.511 0.000 1.285) 1.383 4.528 ( 14.298 -0.000 1.824) 14.414 4.794 ( 8.184 -0.000 -6.364) 10.367 4.928 ( 15.479 -0.000 -4.790) 16.203 5.014 ( 15.639 -0.000 -9.042) 18.065 5.078 ( 9.872 -0.000 1.441) 9.977 5.215 ( 11.587 -0.000 6.445) 13.258 5.505 ( 10.029 -0.000 2.529) 10.343 5.725 ( 25.862 -0.000 -6.172) 26.588 5.814 ( 17.911 -0.000 -7.540) 19.434 5.847 ( 6.616 -0.000 -5.584) 8.657 5.934 ( 12.634 -0.000 6.929) 14.409 5.962 ( 17.360 -0.000 -4.301) 17.885 6.085 ( 12.273 -0.000 4.203) 12.973 6.239 ( 9.243 -0.000 2.142) 9.488 6.333 ( 13.081 -0.000 2.173) 13.260 6.356 ( 18.586 -0.000 -12.792) 22.563 6.672 ( 32.145 -0.000 1.577) 32.184 6.835 ( 13.012 -0.000 2.358) 13.224 7.047 ( 23.612 -0.000 -2.752) 23.772 7.314 ( -7.496 0.000 10.468) 12.876 7.602 ( 8.267 -0.000 -5.341) 9.842 7.822 ( 3.289 -0.000 3.578) 4.860 8.059 ( -5.702 0.000 -1.144) 5.816 8.172 ( -2.633 0.000 13.920) 14.167 9.031 ( -7.289 0.000 -3.877) 8.256 9.170 ( -13.814 0.000 1.896) 13.944 9.997 ( -2.603 0.000 3.861) 4.656 10.323 ( -17.767 0.000 -5.379) 18.564 10.442 ( -3.729 0.000 -2.887) 4.716 10.646 ( -1.395 0.000 0.157) 1.404 10.894 ( -13.771 0.000 1.222) 13.826 10.911 ( -10.589 0.000 1.305) 10.669 11.085 ( -8.782 0.000 2.609) 9.161 11.111 ( -0.024 0.000 -9.456) 9.456 11.404 ( 1.511 -0.000 -0.921) 1.770 11.487 ( -4.579 0.000 -0.683) 4.629 11.549 ( -0.616 0.000 1.428) 1.555 12.117 ( 9.074 -0.000 9.661) 13.254 14.041 ( -9.450 0.000 -1.761) 9.612 14.281 ( -1.825 0.000 -6.406) 6.661 14.529 ( 0.636 -0.000 7.257) 7.284 14.608 ( 4.307 -0.000 -5.325) 6.849 14.812 ( 0.851 -0.000 4.179) 4.265 14.831 ( -2.691 0.000 1.924) 3.308 15.000 ( 5.614 -0.000 -5.959) 8.187 15.076 ( 3.697 -0.000 -2.162) 4.282 15.203 ( 2.406 -0.000 6.288) 6.733 15.638 ( -3.647 0.000 6.348) 7.321 15.864 ( -0.229 0.000 -5.463) 5.467 15.869 ( 7.268 -0.000 -3.906) 8.251 25.139 ( -2.453 0.000 1.194) 2.728 25.150 ( -1.617 0.000 -2.196) 2.727 25.321 ( -0.943 0.000 1.509) 1.779 25.361 ( -1.851 0.000 -0.180) 1.860 25.523 ( 0.314 -0.000 -0.478) 0.572 25.669 ( -1.826 0.000 1.753) 2.531 25.874 ( 1.023 -0.000 -3.168) 3.329 26.052 ( -5.421 0.000 1.789) 5.708 26.690 ( 11.960 -0.000 1.757) 12.088 26.876 ( 12.074 -0.000 -3.274) 12.510 27.576 ( 22.852 -0.000 8.633) 24.428 28.412 ( 10.085 -0.000 -25.219) 27.161 29.160 ( -7.161 0.000 3.761) 8.088 29.290 ( -3.714 0.000 -0.427) 3.739 29.593 ( -11.792 0.000 25.107) 27.738 30.333 ( -22.708 0.000 -8.768) 24.342 ======================= Grid point 170 (68/138) ======================= q-point: ( 0.36 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( -14.653 -2.186 -1.418) 14.883 1.454 ( -12.360 0.109 6.118) 13.791 2.305 ( 14.608 -1.065 6.707) 16.109 2.472 ( 11.692 -6.069 5.456) 14.258 2.637 ( 16.199 -2.507 8.459) 18.446 2.859 ( 12.061 -9.599 -2.845) 15.675 2.920 ( 5.175 -8.654 6.396) 11.940 3.005 ( 6.298 -3.377 -7.973) 10.707 3.127 ( 5.932 -2.766 10.015) 11.964 3.244 ( -1.881 5.132 -1.680) 5.718 3.443 ( -1.364 -1.253 2.164) 2.848 3.623 ( 1.451 1.173 -1.940) 2.692 3.647 ( -3.428 1.738 2.540) 4.607 3.803 ( -3.385 -1.636 -1.184) 3.942 3.900 ( 1.847 -5.450 -7.658) 9.579 4.065 ( 7.568 -1.011 -1.107) 7.715 4.153 ( -4.966 0.728 -2.893) 5.793 4.254 ( 0.243 -2.593 0.201) 2.612 4.635 ( 7.560 0.561 0.901) 7.634 4.913 ( 2.948 -7.941 -5.829) 10.282 5.071 ( 11.977 -5.970 0.901) 13.413 5.205 ( 7.593 -3.267 -0.211) 8.269 5.270 ( 6.020 -13.054 -9.134) 17.032 5.348 ( 8.699 -2.368 6.796) 11.291 5.659 ( 9.190 -5.840 -2.268) 11.122 5.819 ( 10.925 2.869 -9.315) 14.641 5.884 ( 11.096 2.159 0.097) 11.305 5.955 ( 15.687 1.873 -2.973) 16.075 6.113 ( 10.500 -2.912 -6.032) 12.455 6.170 ( 14.902 -2.227 5.242) 15.953 6.280 ( 15.539 -8.878 2.722) 18.103 6.376 ( 12.223 -3.754 2.270) 12.987 6.424 ( 14.694 2.942 -0.543) 14.996 6.635 ( 32.857 3.481 -6.138) 33.606 6.839 ( 15.963 3.381 0.037) 16.317 7.054 ( 17.624 -5.025 -3.645) 18.686 7.222 ( -0.584 -0.094 11.219) 11.235 7.420 ( 16.948 -8.904 2.348) 19.288 7.651 ( 8.380 3.241 -4.590) 10.089 7.809 ( 1.737 1.931 -2.322) 3.484 7.996 ( 2.771 3.930 3.760) 6.104 8.165 ( -1.554 0.500 10.414) 10.541 8.933 ( -9.208 1.983 -3.473) 10.039 9.048 ( -15.283 -0.951 2.806) 15.568 9.932 ( -8.387 3.959 3.171) 9.801 10.096 ( -17.166 3.101 -1.878) 17.545 10.357 ( -3.195 6.177 -7.391) 10.148 10.495 ( -4.672 7.538 5.555) 10.465 10.737 ( -9.221 1.050 -0.279) 9.285 10.899 ( -5.086 7.491 -5.855) 10.783 10.973 ( -8.747 -7.810 -0.248) 11.729 11.197 ( -0.845 -6.653 -2.691) 7.226 11.374 ( -0.782 1.131 3.448) 3.712 11.461 ( -0.024 -0.329 1.885) 1.913 11.670 ( -2.782 -9.673 0.938) 10.109 12.089 ( 6.277 10.878 3.041) 12.922 13.963 ( -6.535 -0.921 0.311) 6.607 14.294 ( -2.308 -3.166 -6.231) 7.361 14.535 ( 1.803 0.120 5.942) 6.211 14.624 ( 3.620 2.855 -2.340) 5.170 14.741 ( -0.555 4.631 2.689) 5.384 14.855 ( -1.751 -1.696 -0.499) 2.488 15.008 ( 3.913 3.447 -2.615) 5.833 15.181 ( 5.645 -6.728 -1.451) 8.902 15.292 ( 3.587 -5.560 4.541) 8.025 15.552 ( -5.277 4.005 3.592) 7.536 15.854 ( 2.649 0.719 -5.367) 6.028 15.954 ( 3.085 -1.301 -1.760) 3.783 25.084 ( -0.900 2.371 -0.318) 2.556 25.169 ( -1.284 -2.100 -0.647) 2.545 25.312 ( -0.817 0.312 1.568) 1.795 25.343 ( -2.502 0.027 0.126) 2.506 25.517 ( 1.112 0.774 -1.385) 1.938 25.717 ( -3.354 -7.938 2.378) 8.940 25.874 ( 1.449 0.435 -2.442) 2.872 26.040 ( -6.300 -3.797 0.964) 7.419 26.759 ( 12.175 4.643 1.708) 13.142 27.002 ( 9.136 -1.559 -3.657) 9.963 27.785 ( 20.308 0.013 8.209) 21.904 28.500 ( 7.521 -0.696 -18.140) 19.649 29.111 ( -5.237 -1.379 3.861) 6.651 29.259 ( -1.978 0.548 0.201) 2.063 29.485 ( -9.547 0.817 17.000) 19.514 30.073 ( -20.779 5.085 -8.275) 22.937 ======================= Grid point 171 (69/138) ======================= q-point: ( 0.45 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( -11.421 -7.059 2.033) 13.580 1.350 ( -11.689 -2.290 1.113) 11.964 2.434 ( 8.739 -2.448 8.020) 12.111 2.732 ( 12.690 -7.846 7.945) 16.903 2.805 ( 9.728 -2.586 7.129) 12.335 3.046 ( 3.278 2.703 -3.644) 5.597 3.085 ( 2.011 -5.859 -4.865) 7.876 3.137 ( 1.981 -3.993 3.714) 5.802 3.165 ( 8.744 -3.546 0.588) 9.454 3.291 ( 3.353 -6.689 -0.788) 7.524 3.418 ( 0.966 2.181 3.661) 4.370 3.535 ( -7.492 2.907 2.063) 8.297 3.674 ( 3.077 -3.773 4.156) 6.401 3.816 ( -1.662 -1.913 -4.157) 4.868 3.979 ( 4.743 0.354 0.298) 4.765 4.093 ( -1.867 0.824 -4.917) 5.323 4.161 ( -3.674 -4.864 0.983) 6.174 4.353 ( 5.026 -5.324 -6.722) 9.939 4.673 ( 1.582 -1.085 0.830) 2.090 5.100 ( 2.003 -10.640 -5.903) 12.332 5.246 ( 2.067 2.687 3.938) 5.196 5.344 ( 9.181 -10.724 5.778) 15.254 5.395 ( 6.099 4.273 -9.762) 12.278 5.583 ( 4.710 -18.328 -5.480) 19.701 5.844 ( 7.859 -3.443 -4.096) 9.507 5.937 ( 10.360 -3.030 -3.224) 11.265 6.026 ( 16.332 -4.846 5.020) 17.760 6.089 ( 4.491 -7.095 -3.502) 9.098 6.264 ( 10.913 -3.224 -2.733) 11.703 6.337 ( 8.165 -8.763 0.248) 11.980 6.481 ( 16.122 2.146 5.288) 17.103 6.562 ( 9.606 -4.589 -1.215) 10.715 6.662 ( 14.893 -10.764 0.603) 18.385 6.751 ( 29.703 15.642 -0.259) 33.571 6.957 ( 3.872 -4.301 -5.268) 7.826 7.148 ( -2.347 1.262 8.960) 9.348 7.294 ( 12.060 2.151 -1.042) 12.294 7.561 ( 1.536 1.860 4.640) 5.230 7.669 ( 5.946 4.281 -2.722) 7.816 7.838 ( 2.460 0.367 -4.693) 5.312 7.971 ( 1.577 3.892 2.786) 5.040 8.144 ( 0.546 0.997 5.094) 5.219 8.771 ( -11.782 4.349 -0.200) 12.560 8.915 ( -11.437 1.071 0.728) 11.510 9.712 ( -11.830 5.218 -0.163) 12.930 9.962 ( -8.529 1.062 2.346) 8.910 10.238 ( -0.454 2.704 -3.280) 4.275 10.398 ( 0.540 3.028 0.555) 3.125 10.635 ( -5.119 2.573 -1.737) 5.986 10.763 ( 1.859 5.895 1.182) 6.293 10.992 ( -7.525 -3.372 -3.607) 9.000 11.232 ( -1.965 1.535 1.109) 2.729 11.358 ( 3.661 1.283 8.467) 9.314 11.543 ( -4.443 -10.034 -2.290) 11.210 11.691 ( -2.362 6.399 -2.981) 7.444 11.986 ( -0.590 0.930 -0.192) 1.118 13.954 ( -2.201 -2.801 2.087) 4.129 14.318 ( -3.348 -2.832 -4.574) 6.336 14.560 ( 2.533 2.350 5.333) 6.355 14.582 ( 0.715 1.615 2.875) 3.374 14.682 ( 2.468 3.196 -2.995) 5.028 14.861 ( -2.330 -1.508 -3.128) 4.181 14.993 ( 2.812 1.690 -0.093) 3.282 15.345 ( 4.468 -3.504 2.203) 6.090 15.385 ( 2.957 0.852 0.546) 3.125 15.480 ( -2.687 -5.061 2.853) 6.401 15.874 ( 1.426 -0.471 -5.097) 5.313 15.965 ( 0.223 1.718 -0.987) 1.994 25.053 ( 0.966 1.282 -0.252) 1.625 25.190 ( -0.729 -1.577 -0.347) 1.771 25.293 ( -0.808 1.082 0.947) 1.649 25.301 ( -3.799 1.117 0.383) 3.978 25.539 ( 4.329 -0.158 -1.244) 4.507 25.827 ( -2.910 -7.618 1.315) 8.260 25.915 ( -0.583 -5.430 -0.776) 5.516 26.029 ( -7.602 -2.618 0.251) 8.044 26.788 ( 11.451 5.433 1.455) 12.757 27.079 ( 4.598 0.485 -2.863) 5.438 27.968 ( 18.380 0.639 4.496) 18.933 28.573 ( 4.016 -1.515 -8.990) 9.962 29.108 ( -3.019 -2.969 3.743) 5.652 29.219 ( -1.706 2.477 4.285) 5.235 29.399 ( -6.140 0.370 4.881) 7.853 29.792 ( -17.086 5.481 -6.581) 19.112 ======================= Grid point 172 (70/138) ======================= q-point: ( 0.55 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( -7.397 -9.782 4.886) 13.201 1.320 ( -8.314 -5.691 -2.424) 10.363 2.565 ( 6.438 -3.560 9.907) 12.340 2.862 ( 3.446 0.232 9.050) 9.686 2.949 ( 3.013 3.276 1.952) 4.860 2.991 ( 3.172 -4.629 0.444) 5.629 3.160 ( 4.721 1.181 -2.451) 5.449 3.195 ( -1.416 0.733 -1.410) 2.128 3.262 ( 6.387 -0.286 3.617) 7.346 3.356 ( -1.884 -1.644 -1.745) 3.049 3.409 ( -4.879 -0.770 -2.426) 5.503 3.578 ( 8.033 -8.223 5.842) 12.895 3.759 ( 1.504 0.035 -1.440) 2.082 3.803 ( -1.411 -1.301 -0.178) 1.928 4.000 ( 4.689 3.694 -3.007) 6.684 4.093 ( 2.068 -2.260 0.613) 3.124 4.168 ( -5.800 -2.089 5.014) 7.947 4.447 ( 4.394 -0.798 -9.319) 10.334 4.740 ( -2.016 -6.748 -1.288) 7.159 5.154 ( -2.168 6.829 7.045) 10.049 5.253 ( 3.572 -2.972 -5.821) 7.448 5.347 ( 4.877 4.769 -18.747) 19.950 5.618 ( 6.405 -10.200 7.738) 14.316 5.891 ( 6.261 0.255 -0.236) 6.271 5.939 ( 7.776 -10.028 -5.302) 13.753 6.038 ( 12.653 3.261 -0.479) 13.076 6.238 ( 18.470 -0.821 -1.014) 18.516 6.352 ( -3.184 -15.718 -1.125) 16.076 6.388 ( 5.880 -1.899 5.107) 8.016 6.569 ( 12.856 -0.419 2.243) 13.057 6.628 ( 14.838 -0.064 0.387) 14.843 6.745 ( 7.592 -9.351 1.012) 12.088 6.810 ( 16.313 0.787 -0.468) 16.338 6.921 ( 3.168 -7.302 -1.735) 8.146 7.050 ( 1.744 -7.401 -0.872) 7.654 7.095 ( 0.028 2.051 6.975) 7.270 7.285 ( 4.350 5.772 -4.339) 8.430 7.456 ( -11.288 5.291 2.118) 12.645 7.570 ( -5.078 8.900 -1.287) 10.327 7.768 ( -2.971 5.439 0.369) 6.208 7.873 ( -7.244 2.107 -0.920) 7.600 8.035 ( -14.048 7.588 1.066) 16.002 8.646 ( -3.157 0.837 0.532) 3.309 8.796 ( -7.299 2.201 0.248) 7.627 9.604 ( -2.782 0.386 2.969) 4.087 9.886 ( -3.172 0.648 -1.068) 3.409 10.272 ( 2.602 -3.922 1.898) 5.075 10.378 ( 4.394 1.949 -3.896) 6.187 10.585 ( 4.884 4.198 1.437) 6.599 10.713 ( 6.502 4.548 -0.114) 7.935 10.957 ( -7.745 -2.064 -0.845) 8.060 11.171 ( -2.174 2.640 -0.194) 3.426 11.358 ( 6.962 15.324 7.078) 18.259 11.449 ( -0.180 1.140 -2.939) 3.157 11.733 ( -9.544 -14.076 -5.193) 17.781 12.000 ( -5.087 -3.689 1.294) 6.415 14.002 ( 1.395 -2.877 2.848) 4.282 14.324 ( -4.135 -2.558 -2.894) 5.658 14.482 ( -1.693 4.102 6.948) 8.244 14.625 ( 4.772 0.391 0.570) 4.822 14.669 ( 1.896 0.814 -3.782) 4.308 14.847 ( -4.659 -0.580 -4.709) 6.649 15.014 ( 3.280 -0.687 2.051) 3.930 15.298 ( 0.878 3.924 1.673) 4.355 15.485 ( 4.427 -3.430 -0.333) 5.610 15.583 ( 0.841 -5.131 3.065) 6.035 15.887 ( -0.654 -0.205 -5.248) 5.293 15.910 ( -2.082 3.195 -0.187) 3.818 25.061 ( 2.836 0.094 -0.040) 2.838 25.208 ( -0.279 -1.114 0.140) 1.157 25.237 ( -4.177 1.362 -0.019) 4.394 25.271 ( -0.627 0.975 0.380) 1.220 25.593 ( 7.626 0.764 -0.671) 7.693 25.911 ( -2.913 -5.705 0.716) 6.445 25.980 ( -5.689 -0.448 0.049) 5.707 26.022 ( -4.862 -8.765 -0.447) 10.033 26.801 ( 9.818 5.202 1.428) 11.202 27.070 ( -0.407 2.868 -1.982) 3.510 28.109 ( 17.154 3.455 1.274) 17.545 28.600 ( -2.753 0.381 -2.414) 3.681 29.139 ( -2.153 -2.097 2.609) 3.980 29.179 ( 0.455 -0.976 6.629) 6.716 29.341 ( -3.968 1.179 -2.506) 4.839 29.608 ( -10.214 -0.498 -4.670) 11.242 ======================= Grid point 173 (71/138) ======================= q-point: (-0.36 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( -3.302 -10.585 5.617) 12.430 1.372 ( -4.216 -7.591 -3.571) 9.389 2.642 ( 4.113 1.899 12.376) 13.179 2.836 ( -0.082 5.243 9.152) 10.548 2.888 ( -0.859 1.323 0.344) 1.615 3.085 ( -2.431 2.530 -0.869) 3.615 3.140 ( 0.528 -0.689 -2.886) 3.014 3.154 ( 6.094 4.272 2.831) 7.962 3.301 ( 2.694 2.481 1.027) 3.804 3.311 ( -2.582 -0.051 2.525) 3.612 3.480 ( -1.336 -6.769 -5.174) 8.624 3.670 ( -3.161 4.846 -5.667) 8.099 3.696 ( 7.106 3.901 0.766) 8.143 3.893 ( -2.648 -0.582 -4.505) 5.258 3.975 ( 8.415 -0.066 3.801) 9.234 4.137 ( -6.777 -6.094 10.964) 14.257 4.204 ( 1.973 -4.115 0.010) 4.564 4.513 ( 7.676 -1.014 -9.193) 12.019 4.811 ( -4.289 -4.111 -1.486) 6.124 5.017 ( -1.530 6.437 3.441) 7.458 5.241 ( 8.300 9.628 -13.549) 18.578 5.329 ( -5.817 -2.044 -11.081) 12.681 5.805 ( 7.955 -4.024 8.092) 12.040 5.868 ( 6.416 9.366 5.190) 12.483 6.023 ( 5.964 3.547 -1.442) 7.088 6.130 ( 12.941 7.760 -0.092) 15.089 6.372 ( 17.951 8.143 0.455) 19.717 6.423 ( -1.482 -2.843 -1.635) 3.599 6.446 ( -7.697 -0.198 -2.040) 7.966 6.618 ( 6.868 7.097 4.695) 10.935 6.707 ( 14.680 8.845 1.200) 17.180 6.821 ( -4.234 5.923 0.782) 7.323 6.849 ( -3.043 4.272 0.276) 5.253 6.962 ( -2.596 1.229 -2.519) 3.820 7.074 ( 5.012 4.009 2.279) 6.811 7.209 ( -12.986 7.075 0.274) 14.791 7.260 ( 1.032 -3.520 -4.922) 6.138 7.399 ( 3.348 -15.761 -1.144) 16.153 7.438 ( -2.390 -12.082 0.368) 12.321 7.638 ( -26.287 9.732 1.011) 28.049 7.747 ( 0.214 -3.414 0.708) 3.493 7.827 ( -7.362 -5.025 0.029) 8.913 8.649 ( 0.322 -2.136 0.992) 2.377 8.716 ( -2.874 1.089 -0.124) 3.076 9.580 ( -0.299 1.578 6.111) 6.318 9.866 ( -0.171 1.184 -4.237) 4.402 10.350 ( 2.264 -2.559 2.102) 4.011 10.426 ( 6.518 1.103 -2.426) 7.042 10.566 ( 6.339 2.701 2.265) 7.254 10.731 ( 5.656 3.640 -6.218) 9.160 10.927 ( -6.215 -2.113 3.791) 7.580 11.012 ( -0.569 10.918 -2.220) 11.156 11.237 ( 2.403 -0.411 5.029) 5.589 11.542 ( 4.670 -4.191 -1.043) 6.360 11.844 ( -5.091 -7.614 -3.274) 9.727 12.002 ( -7.875 -4.537 0.985) 9.142 14.067 ( 3.514 -1.748 3.521) 5.273 14.335 ( -4.080 -3.752 -2.485) 6.074 14.414 ( -0.570 2.639 6.370) 6.918 14.608 ( 0.887 4.159 -2.254) 4.813 14.709 ( 2.715 -1.628 -1.073) 3.342 14.802 ( -4.600 -0.355 -5.089) 6.869 15.067 ( 2.904 -1.476 3.669) 4.906 15.263 ( 0.909 2.082 -0.863) 2.430 15.573 ( 5.337 -1.849 1.593) 5.869 15.641 ( -1.163 -1.699 2.348) 3.123 15.811 ( -0.387 5.696 -1.734) 5.967 15.885 ( -3.810 -1.328 -3.835) 5.567 25.099 ( 3.683 -0.404 0.324) 3.719 25.182 ( -2.492 0.957 -0.546) 2.725 25.224 ( -1.512 -1.881 0.833) 2.553 25.254 ( -0.188 0.460 -0.292) 0.577 25.657 ( 9.743 1.740 0.006) 9.897 25.875 ( -10.492 -0.065 -0.225) 10.495 26.017 ( 1.914 -4.134 0.430) 4.576 26.101 ( -4.833 -5.930 -0.641) 7.677 26.801 ( 7.303 4.933 1.661) 8.968 26.983 ( -3.823 4.615 -1.785) 6.253 28.174 ( 14.964 7.588 1.171) 16.818 28.479 ( -9.694 6.118 -1.342) 11.541 29.148 ( -1.753 -1.689 2.949) 3.824 29.224 ( -0.063 -1.550 4.167) 4.446 29.366 ( 1.467 -8.563 -1.889) 8.891 29.593 ( -4.081 -4.671 -4.415) 7.613 ======================= Grid point 174 (72/138) ======================= q-point: (-0.27 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( 0.508 -10.514 5.139) 11.714 1.482 ( -0.795 -8.407 -3.356) 9.087 2.582 ( 4.331 9.374 12.530) 16.237 2.703 ( -2.963 8.628 11.124) 14.386 2.871 ( -1.180 1.048 1.496) 2.175 2.951 ( -2.666 8.510 -2.667) 9.309 3.092 ( 0.328 6.920 1.387) 7.066 3.141 ( 0.534 2.550 -3.747) 4.564 3.268 ( 2.589 3.355 0.444) 4.261 3.352 ( 4.070 -0.476 7.671) 8.697 3.482 ( -5.310 0.920 -10.734) 12.011 3.638 ( 1.075 1.308 2.592) 3.096 3.651 ( 2.096 2.721 -3.047) 4.592 3.787 ( -2.473 4.700 -2.311) 5.792 4.081 ( 2.240 -2.832 1.503) 3.911 4.221 ( -4.796 -8.564 7.814) 12.546 4.262 ( -3.842 -3.171 -1.764) 5.285 4.611 ( 11.758 3.255 -5.788) 13.504 4.744 ( -8.752 2.804 3.576) 9.862 4.959 ( 3.964 2.949 -4.215) 6.495 5.119 ( 2.223 9.960 -12.360) 16.028 5.287 ( -3.894 1.409 -11.447) 12.173 5.673 ( -5.899 13.124 6.975) 15.990 5.895 ( 9.250 6.160 6.782) 13.020 5.979 ( 8.694 13.862 1.834) 16.465 6.056 ( 5.574 7.956 3.821) 10.439 6.156 ( -15.323 14.928 -2.122) 21.498 6.307 ( -3.992 18.680 -1.713) 19.178 6.349 ( 1.362 12.144 0.367) 12.225 6.420 ( 0.339 5.073 -4.482) 6.778 6.609 ( -2.444 8.741 4.347) 10.063 6.657 ( 1.562 5.790 4.323) 7.393 6.786 ( 1.885 3.232 -1.688) 4.105 6.884 ( -4.757 8.164 -6.100) 11.247 7.038 ( 10.475 10.319 3.046) 15.016 7.136 ( -0.662 -0.281 -2.758) 2.851 7.202 ( -5.628 2.514 0.714) 6.205 7.331 ( 1.302 -1.626 -4.151) 4.644 7.597 ( -1.877 -1.651 1.888) 3.133 7.680 ( 1.741 -4.837 -1.188) 5.277 7.884 ( 4.880 -6.718 2.809) 8.766 7.928 ( -5.748 -11.548 0.792) 12.923 8.727 ( -1.126 -6.096 0.384) 6.211 8.744 ( 1.004 -9.632 -0.168) 9.686 9.573 ( 0.479 -1.905 6.618) 6.904 9.839 ( -0.926 -0.294 -4.705) 4.804 10.352 ( 1.314 3.306 0.741) 3.634 10.443 ( 0.017 7.142 -4.913) 8.669 10.590 ( 1.315 -3.552 1.824) 4.204 10.676 ( -2.905 -2.554 -3.754) 5.390 10.950 ( -5.431 -4.030 2.263) 7.131 10.964 ( 4.707 -1.911 4.078) 6.514 11.324 ( 6.926 -3.534 5.756) 9.674 11.599 ( -6.968 -2.774 -6.107) 9.672 11.925 ( 9.342 -0.155 1.679) 9.493 12.007 ( -8.070 -5.377 -2.029) 9.907 14.119 ( 3.063 -0.308 3.703) 4.815 14.353 ( -5.142 -2.057 0.518) 5.562 14.403 ( 2.961 -1.200 0.406) 3.221 14.529 ( 0.389 5.181 -2.637) 5.826 14.728 ( -4.045 -1.649 0.312) 4.379 14.811 ( 3.499 -1.109 -3.276) 4.920 15.100 ( 1.809 0.838 4.413) 4.842 15.233 ( -2.633 0.243 -2.039) 3.339 15.607 ( -3.579 2.704 3.027) 5.412 15.662 ( 5.306 -2.392 1.650) 6.050 15.723 ( 1.045 5.214 -1.391) 5.497 15.865 ( -2.171 0.046 -5.097) 5.540 25.114 ( -0.569 0.589 1.057) 1.337 25.175 ( 1.483 -0.478 -2.011) 2.544 25.240 ( -1.828 -1.956 1.366) 3.006 25.267 ( 0.908 -2.015 -0.217) 2.220 25.699 ( 1.073 2.340 1.782) 3.131 25.786 ( -1.050 0.891 -2.014) 2.440 26.100 ( -0.544 -3.506 0.652) 3.607 26.134 ( 0.416 -2.267 -0.825) 2.448 26.757 ( -0.124 5.679 2.327) 6.139 26.869 ( 0.211 5.662 -2.544) 6.210 28.092 ( -0.764 13.074 4.477) 13.841 28.305 ( 1.369 6.063 -5.000) 7.976 29.163 ( -1.300 -2.244 4.921) 5.563 29.263 ( -0.118 -3.116 1.667) 3.536 29.593 ( 1.648 -14.753 -1.814) 14.955 29.655 ( -0.804 -5.451 -3.382) 6.465 ======================= Grid point 175 (73/138) ======================= q-point: (-0.18 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( 1.311 -8.116 4.003) 9.144 1.638 ( 2.274 -9.459 -2.275) 9.991 2.424 ( 4.805 15.054 10.557) 19.004 2.536 ( -1.152 8.583 15.671) 17.905 2.747 ( -3.868 9.448 -5.663) 11.675 2.800 ( -3.406 8.727 0.902) 9.411 2.948 ( -1.441 6.761 -0.095) 6.914 3.075 ( 7.960 10.744 -2.602) 13.622 3.255 ( 4.107 4.382 5.800) 8.349 3.316 ( -0.800 2.264 -0.070) 2.402 3.461 ( -2.486 -0.348 0.331) 2.532 3.533 ( -2.114 5.421 0.458) 5.837 3.688 ( -0.589 -1.758 -4.810) 5.155 3.748 ( -1.063 -1.734 -0.497) 2.093 4.105 ( -1.789 0.785 0.261) 1.971 4.236 ( -6.196 -0.195 -4.377) 7.589 4.282 ( -3.474 -3.069 3.479) 5.796 4.445 ( -9.207 11.446 2.191) 14.852 4.759 ( 12.776 3.116 1.096) 13.196 4.866 ( -0.583 10.588 -9.601) 14.305 5.018 ( 1.883 5.186 -6.421) 8.466 5.164 ( -5.376 8.527 -8.066) 12.911 5.430 ( -3.536 7.745 0.488) 8.528 5.579 ( -11.549 19.204 0.584) 22.416 5.714 ( -13.267 15.509 2.661) 20.582 5.842 ( -9.174 12.065 3.092) 15.469 5.944 ( 14.815 15.449 2.241) 21.522 6.124 ( 15.331 11.192 -0.309) 18.984 6.159 ( -5.391 10.082 -2.927) 11.801 6.309 ( 9.592 12.121 -1.302) 15.512 6.417 ( -1.244 11.236 5.595) 12.613 6.546 ( 6.169 8.650 0.162) 10.626 6.753 ( 0.707 3.635 -1.809) 4.121 6.783 ( 4.762 1.411 -0.560) 4.998 7.012 ( 11.678 6.709 1.091) 13.513 7.133 ( 9.105 5.457 -3.807) 11.277 7.202 ( 0.435 1.870 0.679) 2.037 7.300 ( -0.124 6.469 -4.741) 8.021 7.506 ( -1.686 7.975 2.854) 8.636 7.650 ( 4.236 13.945 -0.747) 14.594 7.914 ( -2.653 0.885 4.875) 5.621 8.053 ( 3.896 -5.258 -0.190) 6.547 8.886 ( -4.773 -13.988 0.237) 14.782 8.998 ( 3.886 -16.648 1.085) 17.130 9.685 ( 1.886 -9.885 4.637) 11.080 9.897 ( -0.864 -7.410 -5.260) 9.128 10.252 ( -5.924 4.614 -1.979) 7.766 10.364 ( 0.810 -1.673 -0.328) 1.888 10.641 ( -14.005 -6.421 -0.041) 15.407 10.740 ( -4.709 -7.048 1.135) 8.552 10.976 ( -0.313 -3.559 2.084) 4.136 11.060 ( 1.224 -5.061 1.472) 5.411 11.432 ( -3.859 -1.434 0.975) 4.231 11.573 ( 0.968 -5.202 0.417) 5.307 11.943 ( -0.990 2.134 -0.067) 2.353 12.078 ( 11.517 0.542 -1.661) 11.648 14.129 ( -1.562 0.313 2.486) 2.952 14.305 ( -5.753 0.534 0.761) 5.827 14.442 ( 0.996 2.929 -8.306) 8.864 14.511 ( 7.404 -1.605 1.522) 7.728 14.725 ( -3.255 -2.709 3.578) 5.544 14.854 ( 3.374 1.022 -1.801) 3.958 15.083 ( 1.928 2.180 5.886) 6.566 15.211 ( -5.407 -1.957 -3.695) 6.835 15.500 ( -5.491 4.436 1.877) 7.304 15.637 ( -1.550 4.232 1.935) 4.905 15.759 ( 7.766 -0.664 1.743) 7.987 15.848 ( 1.450 1.150 -7.710) 7.928 25.095 ( -1.883 -0.078 0.784) 2.042 25.197 ( 1.303 -0.681 -2.506) 2.906 25.262 ( -1.801 -2.699 1.850) 3.735 25.329 ( 1.735 -3.483 -0.004) 3.892 25.595 ( -10.065 2.080 0.773) 10.306 25.833 ( 10.293 1.628 -0.972) 10.466 26.089 ( -4.945 -0.099 -0.007) 4.946 26.232 ( 9.521 -2.343 -0.081) 9.806 26.612 ( -6.382 6.783 1.155) 9.385 26.805 ( 6.435 6.623 -2.013) 9.451 27.782 ( -11.023 15.099 5.286) 19.428 28.272 ( 10.131 6.268 -6.993) 13.813 29.201 ( -1.124 -3.426 6.690) 7.600 29.314 ( -0.227 -2.992 1.037) 3.175 29.728 ( -4.322 -7.269 -0.939) 8.509 29.879 ( 1.817 -15.907 -3.440) 16.376 ======================= Grid point 176 (74/138) ======================= q-point: (-0.09 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( -2.296 -2.876 1.886) 4.135 1.818 ( 2.838 -7.753 0.437) 8.268 2.197 ( 2.407 16.787 8.471) 18.957 2.371 ( 1.724 12.349 17.481) 21.472 2.535 ( -1.417 10.777 1.479) 10.970 2.618 ( 1.523 7.820 -7.802) 11.150 2.856 ( 3.022 8.311 -2.161) 9.103 2.971 ( 12.160 9.992 1.186) 15.784 3.180 ( 1.545 4.983 3.578) 6.326 3.291 ( 0.790 4.534 6.280) 7.786 3.429 ( -3.434 -0.121 -0.616) 3.491 3.477 ( 0.831 -0.615 0.263) 1.067 3.673 ( 0.001 4.416 -4.488) 6.296 3.778 ( -2.028 -3.201 0.668) 3.848 3.999 ( -5.960 7.501 -0.566) 9.597 4.127 ( -4.779 7.048 -1.392) 8.629 4.223 ( -6.160 3.981 -1.158) 7.426 4.277 ( 0.426 1.132 0.246) 1.234 4.672 ( 0.147 9.754 -4.565) 10.770 4.810 ( 14.146 7.803 -2.997) 16.431 4.897 ( 1.809 9.290 -4.320) 10.404 4.978 ( -3.207 7.440 -1.445) 8.229 5.224 ( -1.424 12.377 0.033) 12.458 5.310 ( -3.116 8.366 -5.802) 10.647 5.417 ( 0.310 10.690 -1.402) 10.786 5.531 ( -8.851 12.051 -3.511) 15.359 5.779 ( 11.845 18.461 2.230) 22.047 6.013 ( 6.598 9.949 3.188) 12.357 6.066 ( 14.832 13.436 -0.005) 20.013 6.182 ( 5.594 11.247 3.306) 12.989 6.285 ( 7.302 8.848 0.262) 11.475 6.498 ( 12.835 11.256 1.934) 17.181 6.608 ( -0.752 12.607 -2.092) 12.801 6.798 ( 5.395 7.206 -0.262) 9.006 7.006 ( 16.254 12.851 2.436) 20.864 7.048 ( 0.380 7.620 -1.889) 7.859 7.133 ( 3.903 12.849 -8.961) 16.144 7.176 ( 3.940 6.021 -3.358) 7.941 7.359 ( 2.416 16.455 3.532) 17.002 7.407 ( 2.483 3.251 3.483) 5.373 7.899 ( -4.320 -3.308 6.259) 8.294 8.190 ( 4.475 -5.892 -0.889) 7.452 9.044 ( -7.297 -11.247 -0.358) 13.411 9.327 ( 2.814 -17.610 4.267) 18.337 9.897 ( 0.585 -11.239 1.797) 11.397 9.998 ( 1.332 -4.010 -3.653) 5.585 10.211 ( -6.228 -7.108 -2.221) 9.708 10.463 ( -1.762 -10.137 1.536) 10.403 10.590 ( -15.286 -6.269 -0.579) 16.532 10.749 ( -12.266 -4.899 0.499) 13.218 11.008 ( -4.681 -1.407 5.107) 7.070 11.173 ( -2.206 -7.584 -3.763) 8.749 11.330 ( -7.741 0.890 -2.287) 8.120 11.739 ( 0.584 -3.370 -0.492) 3.455 11.936 ( 9.598 -1.367 0.427) 9.704 12.147 ( 11.070 3.920 4.228) 12.482 14.071 ( -8.674 0.124 0.817) 8.713 14.266 ( 0.733 0.597 -0.889) 1.298 14.400 ( 1.799 3.031 -7.955) 8.701 14.600 ( 3.665 -1.001 -1.524) 4.094 14.756 ( -0.379 -1.180 6.504) 6.621 14.834 ( 0.627 1.409 1.569) 2.200 15.092 ( 3.988 1.454 5.194) 6.708 15.184 ( -4.814 -1.448 -4.538) 6.772 15.358 ( -6.293 5.263 0.455) 8.216 15.572 ( -1.315 1.785 4.792) 5.280 15.789 ( 8.119 5.940 -5.250) 11.347 15.888 ( 2.851 -3.224 -2.965) 5.226 25.084 ( -2.195 -0.955 0.358) 2.420 25.232 ( 1.300 -2.199 -2.239) 3.397 25.292 ( -1.972 -2.885 1.993) 4.023 25.401 ( 0.397 -3.272 0.164) 3.300 25.467 ( -8.717 1.878 0.156) 8.918 25.909 ( 10.968 1.409 -0.369) 11.065 26.024 ( -3.752 2.785 0.123) 4.674 26.351 ( 5.655 3.583 0.217) 6.698 26.468 ( 1.413 0.922 0.025) 1.687 26.762 ( 8.476 6.950 -2.393) 11.219 27.408 ( -10.851 16.653 6.016) 20.767 28.269 ( 11.369 6.479 -10.127) 16.547 29.251 ( -1.658 -3.812 7.773) 8.815 29.351 ( -1.484 -2.270 0.845) 2.841 29.800 ( -6.532 -7.309 3.825) 10.523 30.150 ( -3.661 -17.331 -5.371) 18.510 ======================= Grid point 181 (75/138) ======================= q-point: ( 0.36 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( -13.590 0.000 -1.832) 13.713 1.327 ( -14.058 0.000 6.640) 15.547 2.479 ( 17.927 -0.000 4.963) 18.602 2.483 ( 5.292 -0.000 5.734) 7.803 2.779 ( 15.513 -0.000 8.648) 17.761 2.881 ( 12.150 -0.000 1.289) 12.218 2.904 ( 6.604 -0.000 3.033) 7.267 3.038 ( 6.989 -0.000 -5.979) 9.198 3.166 ( 4.888 -0.000 9.002) 10.244 3.266 ( -4.601 0.000 -6.041) 7.593 3.401 ( -0.174 0.000 7.789) 7.791 3.631 ( -7.231 0.000 3.347) 7.968 3.642 ( -0.401 0.000 -4.169) 4.189 3.769 ( 0.430 -0.000 -1.224) 1.297 3.780 ( -6.525 0.000 -14.314) 15.731 4.098 ( -3.868 0.000 -0.974) 3.989 4.177 ( 7.520 -0.000 3.116) 8.141 4.211 ( -1.224 0.000 -1.198) 1.713 4.695 ( 3.194 -0.000 6.493) 7.236 4.836 ( -2.230 0.000 -4.539) 5.057 5.106 ( 4.970 -0.000 -3.771) 6.238 5.220 ( 5.929 -0.000 -7.449) 9.520 5.220 ( 5.583 -0.000 3.141) 6.406 5.404 ( 6.876 -0.000 8.118) 10.639 5.726 ( 11.320 -0.000 -2.061) 11.506 5.882 ( 2.856 -0.000 -21.398) 21.587 6.007 ( 3.911 -0.000 5.655) 6.875 6.024 ( 4.977 -0.000 -7.636) 9.115 6.286 ( 7.587 -0.000 2.697) 8.052 6.298 ( 22.831 -0.000 6.649) 23.779 6.304 ( 16.082 -0.000 -4.590) 16.724 6.462 ( 14.075 -0.000 0.372) 14.080 6.699 ( 14.703 -0.000 -0.082) 14.703 6.849 ( 22.163 -0.000 -6.995) 23.241 7.120 ( 19.958 -0.000 -2.761) 20.148 7.181 ( 5.619 -0.000 14.707) 15.744 7.278 ( 20.809 -0.000 3.006) 21.025 7.519 ( 22.773 -0.000 -2.629) 22.924 7.749 ( 6.696 -0.000 -3.956) 7.778 7.818 ( -1.748 0.000 -3.167) 3.618 8.078 ( 7.547 -0.000 -1.970) 7.800 8.194 ( 2.933 -0.000 17.151) 17.400 8.866 ( -8.621 0.000 -2.543) 8.989 8.893 ( -14.463 0.000 2.315) 14.647 9.896 ( -8.115 0.000 4.701) 9.378 9.921 ( -21.570 0.000 -4.207) 21.976 10.391 ( -1.761 0.000 -3.978) 4.350 10.507 ( -10.624 0.000 4.790) 11.654 10.680 ( -11.404 0.000 2.150) 11.605 10.738 ( -2.969 0.000 -7.981) 8.516 10.905 ( -9.320 0.000 4.220) 10.231 11.137 ( 0.901 -0.000 -14.587) 14.615 11.372 ( -1.813 0.000 3.808) 4.218 11.520 ( 4.558 -0.000 7.777) 9.014 11.542 ( -0.593 0.000 0.517) 0.787 12.239 ( 2.868 -0.000 1.305) 3.151 13.892 ( -5.326 0.000 2.496) 5.881 14.251 ( -0.973 0.000 -8.292) 8.349 14.551 ( 2.184 -0.000 7.179) 7.504 14.701 ( 5.191 -0.000 -4.325) 6.756 14.770 ( -3.935 0.000 3.431) 5.221 14.818 ( -0.032 0.000 3.228) 3.228 15.110 ( 5.405 -0.000 -3.486) 6.431 15.152 ( 4.238 -0.000 -3.034) 5.212 15.256 ( 2.410 -0.000 4.620) 5.211 15.528 ( -7.137 0.000 1.321) 7.259 15.876 ( 1.426 -0.000 -4.515) 4.735 15.989 ( 4.325 -0.000 -0.850) 4.407 25.108 ( -0.889 0.000 0.756) 1.168 25.130 ( -0.336 0.000 -1.620) 1.655 25.305 ( -0.866 0.000 1.509) 1.740 25.328 ( -1.586 0.000 -0.374) 1.630 25.536 ( 1.126 -0.000 -1.612) 1.966 25.601 ( -4.348 0.000 2.696) 5.116 25.904 ( 1.945 -0.000 -4.160) 4.592 25.953 ( -4.822 0.000 2.900) 5.627 26.903 ( 9.287 -0.000 2.926) 9.737 27.076 ( 8.547 -0.000 -5.160) 9.984 27.956 ( 15.524 -0.000 10.216) 18.584 28.564 ( 6.724 -0.000 -18.026) 19.240 29.053 ( -3.881 0.000 4.233) 5.743 29.259 ( 0.974 -0.000 -1.447) 1.744 29.409 ( -8.241 0.000 16.149) 18.130 29.916 ( -19.968 0.000 -8.062) 21.534 ======================= Grid point 182 (76/138) ======================= q-point: ( 0.45 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( -7.546 -3.524 1.881) 8.538 1.202 ( -12.791 -1.326 2.744) 13.149 2.501 ( 6.300 1.225 7.445) 9.829 2.725 ( 13.548 -7.661 5.369) 16.464 2.878 ( 6.401 0.941 11.432) 13.136 3.008 ( 4.510 -5.110 0.089) 6.817 3.085 ( 9.018 -4.952 -4.287) 11.146 3.126 ( 4.322 -0.766 -2.401) 5.003 3.174 ( 1.883 -1.688 0.110) 2.531 3.235 ( 0.637 -2.392 1.101) 2.709 3.423 ( -1.535 -0.835 7.331) 7.536 3.507 ( -9.053 3.342 0.440) 9.660 3.675 ( 4.707 -1.129 0.713) 4.892 3.700 ( -7.746 -4.354 -7.061) 11.350 3.903 ( 0.074 -9.407 -5.439) 10.867 4.070 ( -2.946 -0.880 -3.604) 4.738 4.169 ( 3.861 3.312 2.178) 5.534 4.290 ( 3.118 -4.416 -1.813) 5.702 4.701 ( -0.035 1.210 7.163) 7.264 4.892 ( -3.604 -10.294 -4.272) 11.713 5.205 ( 3.422 -7.681 0.417) 8.419 5.302 ( 2.639 -1.405 2.529) 3.916 5.345 ( 2.075 -10.718 -7.437) 13.210 5.489 ( 5.593 -3.896 7.111) 9.850 5.820 ( 6.379 -0.174 -7.939) 10.186 5.910 ( 2.904 -3.466 -10.737) 11.650 6.048 ( 4.374 0.158 -4.780) 6.481 6.074 ( 2.049 -3.059 -3.381) 4.999 6.355 ( 6.004 -0.536 4.671) 7.626 6.405 ( 14.371 1.456 -2.269) 14.622 6.573 ( 14.122 -4.509 2.144) 14.978 6.640 ( 12.736 -6.262 0.343) 14.196 6.777 ( 8.889 1.402 -0.935) 9.047 6.961 ( 4.265 -0.034 -2.668) 5.031 7.127 ( 9.819 8.998 10.185) 16.766 7.379 ( 23.967 11.056 0.297) 26.396 7.420 ( 14.869 -2.873 -0.051) 15.144 7.641 ( 4.324 5.913 1.690) 7.518 7.779 ( 4.326 2.950 -3.911) 6.535 7.863 ( 5.754 -1.823 -3.759) 7.111 8.112 ( 6.793 6.604 -0.296) 9.478 8.202 ( 3.444 2.638 10.348) 11.220 8.736 ( -10.657 3.094 2.691) 11.419 8.796 ( -9.822 -1.433 -1.007) 9.976 9.676 ( -13.006 4.281 -0.986) 13.727 9.845 ( -10.859 -2.686 1.877) 11.343 10.304 ( -2.069 5.659 -0.754) 6.072 10.410 ( -3.336 0.211 -0.233) 3.351 10.597 ( -4.646 -0.947 -0.174) 4.745 10.793 ( -8.688 -5.786 0.690) 10.461 10.830 ( -1.710 -0.988 -2.389) 3.100 11.172 ( -2.893 -5.034 -9.624) 11.239 11.373 ( 1.629 -0.814 4.524) 4.876 11.476 ( 0.898 4.497 5.877) 7.455 11.647 ( 0.002 -6.393 2.422) 6.836 12.148 ( -0.132 11.159 -3.873) 11.813 13.882 ( -1.855 -3.009 4.731) 5.906 14.258 ( -1.156 -1.591 -8.018) 8.256 14.591 ( 3.672 -1.124 6.092) 7.201 14.664 ( -0.782 5.979 4.491) 7.519 14.739 ( 0.747 1.551 -1.798) 2.489 14.826 ( -0.308 -0.420 -0.879) 1.022 15.083 ( 3.906 4.674 -1.714) 6.328 15.285 ( 4.778 -7.084 -1.108) 8.617 15.344 ( 0.387 -6.834 2.608) 7.325 15.433 ( -5.949 2.626 0.112) 6.504 15.888 ( 1.770 0.411 -3.215) 3.693 16.005 ( 1.289 1.529 -1.373) 2.425 25.086 ( 0.993 1.245 0.025) 1.592 25.149 ( -0.970 -1.751 -0.579) 2.084 25.292 ( -1.423 0.602 1.061) 1.875 25.302 ( -1.372 1.208 -0.045) 1.828 25.546 ( 1.870 -1.706 -0.541) 2.588 25.648 ( -3.242 -7.646 0.430) 8.316 25.895 ( -0.018 0.631 -0.085) 0.637 25.943 ( -3.035 -1.498 -0.123) 3.386 26.954 ( 7.314 2.991 2.623) 8.326 27.138 ( 5.009 1.004 -4.621) 6.888 28.101 ( 11.663 -1.824 8.593) 14.601 28.611 ( 4.447 0.857 -13.164) 13.921 29.043 ( -1.729 -1.919 4.790) 5.442 29.256 ( 0.435 2.711 3.144) 4.174 29.351 ( -3.339 -0.926 6.189) 7.093 29.701 ( -17.149 3.515 -7.021) 18.861 ======================= Grid point 183 (77/138) ======================= q-point: ( 0.55 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( -1.068 -6.997 6.176) 9.394 1.153 ( -7.594 -5.025 -2.238) 9.377 2.568 ( 5.048 -2.281 9.204) 10.742 2.885 ( 0.672 0.651 7.487) 7.545 2.959 ( 6.227 -4.876 2.272) 8.229 3.045 ( 0.119 4.240 1.835) 4.621 3.130 ( 1.586 -5.217 -3.139) 6.292 3.177 ( 0.895 -3.011 0.553) 3.190 3.284 ( -0.386 -3.065 0.604) 3.148 3.350 ( 2.296 1.332 -3.766) 4.608 3.381 ( -5.171 2.337 3.624) 6.733 3.448 ( 2.683 -10.010 5.720) 11.837 3.732 ( -3.391 -5.625 -1.618) 6.764 3.767 ( 3.174 -2.306 -2.066) 4.434 4.013 ( -2.274 -3.419 -1.916) 4.531 4.073 ( -0.238 -2.446 -1.963) 3.145 4.162 ( 5.834 3.322 1.968) 6.996 4.407 ( 1.551 -6.177 -9.517) 11.451 4.677 ( -0.697 -0.049 6.653) 6.689 5.072 ( -3.841 -13.022 -3.599) 14.046 5.255 ( -0.691 4.868 1.307) 5.087 5.429 ( 2.112 -11.300 4.205) 12.241 5.531 ( 5.458 -1.422 -9.339) 10.910 5.655 ( 3.306 -14.762 -3.504) 15.528 5.941 ( 1.406 -9.606 -4.122) 10.548 6.050 ( -2.413 -10.876 -3.121) 11.570 6.112 ( 7.354 -3.819 -4.318) 9.344 6.173 ( -0.243 -8.755 -0.812) 8.795 6.409 ( 2.761 -1.115 6.638) 7.275 6.557 ( 10.297 -5.633 -4.782) 12.674 6.736 ( 10.083 -2.579 0.604) 10.425 6.822 ( 4.922 -2.148 1.311) 5.528 6.885 ( 8.251 -5.502 -0.531) 9.931 6.982 ( 0.244 -0.075 0.806) 0.845 7.054 ( 6.854 9.323 9.445) 14.936 7.360 ( 5.520 11.529 3.691) 13.305 7.441 ( 11.526 9.914 -6.843) 16.672 7.535 ( 1.703 11.376 2.001) 11.676 7.683 ( -2.166 9.371 -2.516) 9.942 7.864 ( -0.197 4.430 -2.465) 5.073 7.957 ( -1.874 13.137 0.498) 13.279 8.080 ( -8.719 11.981 4.203) 15.402 8.643 ( -0.554 0.002 1.514) 1.612 8.735 ( -6.782 -0.509 -0.045) 6.801 9.582 ( -0.960 -0.725 2.311) 2.605 9.804 ( -7.061 -3.652 -0.743) 7.984 10.257 ( 0.795 -0.164 2.768) 2.884 10.409 ( 1.605 -0.857 -5.561) 5.851 10.623 ( 2.794 -2.596 0.335) 3.828 10.790 ( -5.977 -3.608 2.357) 7.368 10.852 ( 1.874 -0.357 0.561) 1.989 11.192 ( -3.809 0.284 -3.132) 4.939 11.410 ( -0.836 -1.706 -2.172) 2.885 11.475 ( 0.629 -5.774 5.465) 7.975 11.658 ( -0.168 7.642 1.183) 7.735 11.958 ( -2.327 5.773 -4.480) 7.669 13.949 ( 1.305 -4.745 5.304) 7.236 14.265 ( -1.782 -0.996 -6.402) 6.720 14.545 ( -2.005 5.612 6.734) 8.992 14.656 ( 3.775 -1.438 2.896) 4.970 14.712 ( 0.298 2.001 -2.257) 3.031 14.816 ( -0.995 1.060 -3.639) 3.918 15.063 ( 4.141 2.027 1.749) 4.931 15.319 ( -5.512 1.349 -1.516) 5.874 15.445 ( 3.410 -5.881 -0.471) 6.814 15.483 ( 0.691 -7.086 2.472) 7.536 15.888 ( 0.953 1.249 -1.998) 2.542 15.964 ( -0.875 3.343 -2.194) 4.093 25.094 ( 3.045 0.206 -0.027) 3.052 25.156 ( -3.150 -1.171 -0.119) 3.363 25.255 ( -0.488 1.752 0.460) 1.876 25.277 ( -0.858 0.793 0.181) 1.182 25.635 ( 5.243 -4.076 -0.170) 6.644 25.747 ( -4.658 -7.609 -0.931) 8.971 25.906 ( -1.265 -2.599 1.013) 3.063 25.929 ( -1.836 -0.633 -0.232) 1.955 26.955 ( 4.989 3.898 2.490) 6.803 27.126 ( 0.771 3.657 -3.646) 5.222 28.245 ( 9.090 -2.962 5.110) 10.840 28.604 ( -0.411 2.652 -7.235) 7.717 29.083 ( 0.383 -3.214 5.388) 6.285 29.188 ( -2.059 2.579 6.750) 7.514 29.361 ( 2.655 2.112 -2.648) 4.303 29.504 ( -11.651 0.880 -5.881) 13.081 ======================= Grid point 184 (78/138) ======================= q-point: (-0.36 -0.64 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( 3.018 -8.533 7.368) 11.671 1.219 ( -1.281 -7.525 -4.611) 8.918 2.656 ( 2.558 -2.777 11.379) 11.989 2.872 ( -1.559 0.261 5.713) 5.927 2.933 ( -1.721 3.907 2.239) 4.821 3.064 ( -1.043 -1.171 1.740) 2.343 3.166 ( 0.085 1.479 -4.423) 4.665 3.240 ( 0.644 -3.247 2.642) 4.235 3.288 ( -0.327 4.317 -2.705) 5.104 3.321 ( -3.991 -3.342 -2.201) 5.652 3.383 ( 4.160 -3.023 5.832) 7.775 3.625 ( -4.072 -5.906 3.169) 7.842 3.777 ( 3.028 -2.134 -3.125) 4.846 3.825 ( 2.315 -2.140 -3.656) 4.827 3.986 ( -6.093 -0.388 3.346) 6.962 4.112 ( -0.321 0.567 1.695) 1.815 4.170 ( 4.182 1.540 -0.718) 4.514 4.511 ( 3.943 -5.360 -12.136) 13.840 4.719 ( -0.016 -3.727 6.571) 7.554 5.102 ( -3.298 4.722 5.110) 7.699 5.225 ( -3.652 -3.819 -11.581) 12.730 5.463 ( 5.578 7.449 -12.908) 15.913 5.693 ( 1.703 -11.448 6.912) 13.480 5.903 ( -2.912 -7.599 -3.398) 8.818 6.070 ( 3.990 -4.234 1.989) 6.149 6.190 ( -0.698 -8.483 -5.307) 10.031 6.265 ( -8.091 -4.843 0.454) 9.440 6.319 ( 4.345 -7.562 -0.695) 8.749 6.544 ( 2.065 -12.031 6.767) 13.957 6.770 ( 1.431 -9.510 -3.566) 10.256 6.811 ( -7.967 2.761 1.544) 8.572 6.868 ( -1.826 3.143 0.138) 3.638 6.915 ( 8.167 6.875 3.014) 11.093 6.970 ( 4.315 -0.291 4.680) 6.372 7.075 ( -3.806 -7.746 -3.045) 9.152 7.182 ( -3.916 6.234 5.390) 9.124 7.228 ( -6.161 8.617 -2.180) 10.815 7.406 ( 12.691 10.780 -4.848) 17.343 7.544 ( 4.020 12.384 2.559) 13.270 7.624 ( -7.464 14.247 -2.593) 16.291 7.767 ( -4.813 7.887 0.494) 9.253 7.819 ( 3.629 5.722 -0.586) 6.802 8.662 ( 1.325 1.966 1.700) 2.917 8.691 ( -1.545 -1.406 -0.040) 2.089 9.609 ( 1.902 0.216 5.608) 5.926 9.835 ( -1.708 -3.795 -4.012) 5.781 10.289 ( -1.231 -3.670 2.605) 4.666 10.449 ( 2.332 -0.907 -5.785) 6.303 10.656 ( -2.899 1.146 4.892) 5.801 10.808 ( 0.809 -2.504 -2.765) 3.817 10.880 ( 6.421 3.656 5.486) 9.203 11.131 ( -3.294 2.303 -3.979) 5.655 11.336 ( -4.696 10.354 -1.297) 11.443 11.474 ( -3.380 -2.333 -4.083) 5.791 11.695 ( 8.861 -7.999 6.967) 13.821 11.916 ( -2.916 -1.481 -3.536) 4.816 14.047 ( 2.456 -4.151 5.251) 7.130 14.262 ( -1.513 -1.215 -4.450) 4.855 14.453 ( -1.199 3.401 7.105) 7.968 14.672 ( -1.328 1.960 -3.093) 3.895 14.696 ( -0.342 0.112 -0.173) 0.399 14.788 ( 1.589 0.893 -4.515) 4.869 15.092 ( 4.347 0.024 5.099) 6.701 15.262 ( -4.482 0.110 -3.402) 5.628 15.555 ( 1.521 -3.879 1.916) 4.586 15.584 ( -0.469 -4.810 1.541) 5.072 15.869 ( 0.465 1.723 -1.998) 2.679 15.889 ( -0.831 3.818 -2.755) 4.781 25.127 ( -2.095 0.085 0.223) 2.108 25.137 ( 1.882 -1.254 -0.154) 2.267 25.232 ( 0.472 1.285 0.757) 1.565 25.259 ( -0.220 0.636 -0.400) 0.783 25.751 ( -3.704 -3.847 0.054) 5.340 25.768 ( 4.181 0.533 -0.700) 4.273 25.947 ( -0.709 -4.556 0.901) 4.697 25.982 ( 0.212 -5.613 -0.648) 5.655 26.916 ( -0.249 4.110 2.653) 4.898 27.047 ( 0.160 5.262 -3.038) 6.078 28.341 ( 1.517 0.194 3.185) 3.533 28.509 ( -1.489 5.771 -4.088) 7.227 29.120 ( 0.250 -0.493 3.687) 3.728 29.196 ( 0.098 -3.600 7.724) 8.522 29.296 ( -0.643 1.890 -3.768) 4.264 29.500 ( 0.349 -3.921 -5.976) 7.157 ======================= Grid point 185 (79/138) ======================= q-point: (-0.27 -0.64 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( 5.854 -9.443 6.375) 12.809 1.357 ( 2.808 -7.624 -4.411) 9.245 2.679 ( -1.458 1.273 13.137) 13.279 2.821 ( -1.567 5.351 10.542) 11.926 2.875 ( -0.616 1.426 0.495) 1.630 3.046 ( -0.106 3.433 0.112) 3.436 3.121 ( -2.818 0.623 -3.831) 4.796 3.190 ( -2.791 4.071 -0.951) 5.027 3.326 ( 1.140 -4.425 -1.687) 4.871 3.343 ( 2.022 -0.988 2.605) 3.442 3.450 ( 0.585 0.814 0.768) 1.263 3.601 ( -3.180 -0.695 -3.184) 4.553 3.786 ( 0.859 6.194 -0.793) 6.303 3.842 ( -1.678 3.520 -6.705) 7.756 3.981 ( -7.060 -8.650 6.798) 13.072 4.113 ( 3.754 -1.100 5.896) 7.075 4.161 ( -5.568 -1.021 -3.483) 6.646 4.667 ( 0.398 -5.413 -2.358) 5.917 4.729 ( 2.732 1.890 -0.681) 3.391 5.022 ( 0.224 2.008 0.064) 2.021 5.204 ( -4.064 1.003 -13.202) 13.850 5.370 ( 4.000 8.626 -10.679) 14.298 5.773 ( -11.261 8.408 2.951) 14.361 5.892 ( -0.775 -7.403 10.304) 12.711 6.134 ( -7.290 4.237 4.600) 9.605 6.163 ( -12.101 5.468 -2.463) 13.506 6.182 ( -5.854 4.906 -3.469) 8.389 6.423 ( -3.851 1.893 -1.513) 4.550 6.478 ( -8.429 9.883 -2.941) 13.318 6.645 ( -1.972 0.071 5.569) 5.908 6.673 ( -12.215 6.772 0.939) 13.998 6.772 ( 4.523 6.657 2.375) 8.391 6.947 ( 3.337 6.959 1.204) 7.812 6.984 ( 5.559 0.399 -6.017) 8.201 7.062 ( 1.995 1.729 1.709) 3.145 7.150 ( -6.886 6.576 0.542) 9.537 7.309 ( -0.817 -15.959 -0.590) 15.991 7.388 ( 7.139 0.423 -4.453) 8.425 7.456 ( 7.250 -8.720 0.516) 11.352 7.620 ( 16.846 3.652 1.646) 17.316 7.725 ( 3.171 -4.231 0.281) 5.295 7.834 ( 6.576 -3.006 0.370) 7.240 8.648 ( -0.532 -2.048 1.028) 2.352 8.712 ( 2.598 0.793 -0.165) 2.722 9.601 ( 2.004 2.398 7.040) 7.703 9.843 ( -1.900 0.808 -5.156) 5.554 10.342 ( -2.970 -3.094 1.370) 4.503 10.467 ( -3.027 -1.836 -2.426) 4.291 10.557 ( -7.233 3.092 3.193) 8.489 10.728 ( -5.770 13.138 -6.592) 15.791 10.891 ( 2.478 -2.537 2.310) 4.232 11.009 ( 0.343 4.534 -0.027) 4.547 11.315 ( 4.995 -3.998 7.992) 10.237 11.469 ( -7.846 -2.386 -5.148) 9.682 11.885 ( 0.459 -4.953 -3.526) 6.097 11.981 ( 11.234 -5.119 1.848) 12.483 14.115 ( -0.146 -1.995 4.288) 4.731 14.286 ( -0.068 -2.108 -1.503) 2.589 14.416 ( 1.002 0.669 4.359) 4.523 14.615 ( 0.494 3.880 -2.452) 4.616 14.663 ( -4.636 -0.659 -1.375) 4.880 14.831 ( 4.674 -1.386 -3.999) 6.305 15.128 ( 2.983 0.384 5.467) 6.240 15.205 ( -6.320 0.847 -2.938) 7.021 15.578 ( -3.741 -0.303 1.898) 4.205 15.655 ( 0.286 -3.515 1.961) 4.035 15.800 ( -0.232 4.544 -1.523) 4.798 15.885 ( 4.168 0.193 -4.031) 5.802 25.093 ( -3.917 -0.408 0.295) 3.949 25.190 ( 3.605 -0.295 -0.701) 3.684 25.219 ( -0.068 0.317 0.930) 0.985 25.257 ( 0.936 -0.457 -0.205) 1.062 25.662 ( -9.812 1.481 0.014) 9.923 25.868 ( 10.374 0.285 -0.232) 10.381 26.015 ( -1.903 -4.214 0.397) 4.640 26.104 ( 4.905 -5.882 -0.610) 7.683 26.801 ( -7.247 4.857 1.660) 8.881 26.984 ( 3.770 4.589 -1.782) 6.200 28.180 ( -14.456 8.336 1.176) 16.729 28.477 ( 9.515 4.933 -1.351) 10.803 29.133 ( 0.354 -0.509 3.114) 3.175 29.221 ( -0.016 -1.739 3.209) 3.650 29.384 ( -0.141 -9.398 -0.869) 9.440 29.590 ( 3.966 -4.368 -4.640) 7.506 ======================= Grid point 186 (80/138) ======================= q-point: (-0.18 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 6.986 -8.171 5.170) 11.929 1.518 ( 4.106 -7.918 -3.384) 9.540 2.616 ( -3.914 3.118 14.884) 15.702 2.689 ( 3.022 10.113 10.739) 15.058 2.814 ( -2.442 4.991 -2.263) 6.000 2.915 ( -5.349 8.883 0.698) 10.392 3.054 ( 1.399 5.754 -0.424) 5.936 3.197 ( 1.938 -3.832 -2.489) 4.963 3.325 ( 1.998 2.879 0.052) 3.505 3.357 ( -4.637 3.330 -7.062) 9.081 3.445 ( 3.305 -0.790 6.456) 7.295 3.597 ( -3.933 2.498 2.941) 5.510 3.665 ( -0.317 3.463 -4.951) 6.050 3.743 ( -2.051 2.343 -2.437) 3.954 4.070 ( -3.089 -2.657 1.334) 4.287 4.108 ( -9.241 -5.526 -4.055) 11.506 4.184 ( 0.090 -3.158 4.765) 5.717 4.512 ( -11.587 8.428 6.421) 15.701 4.860 ( 7.977 -2.727 -10.291) 13.303 4.986 ( -1.102 3.548 -2.272) 4.355 5.130 ( 0.076 7.301 -5.911) 9.394 5.240 ( -3.455 6.405 -8.621) 11.282 5.508 ( -6.951 7.615 -1.318) 10.395 5.696 ( -19.481 13.236 1.931) 23.631 5.806 ( -14.617 13.274 0.668) 19.756 5.937 ( -15.922 12.847 5.166) 21.100 6.098 ( -2.652 -3.551 1.098) 4.566 6.259 ( -0.664 8.113 -3.555) 8.883 6.371 ( 7.288 3.013 3.890) 8.794 6.565 ( -1.111 6.671 4.462) 8.102 6.624 ( 6.472 2.687 1.109) 7.095 6.720 ( 7.951 7.842 2.675) 11.483 6.850 ( 3.780 3.307 -5.669) 7.574 6.939 ( 11.493 12.933 -1.750) 17.390 7.107 ( 2.736 0.184 -1.960) 3.370 7.154 ( 0.741 -6.507 0.827) 6.601 7.362 ( 4.604 4.956 -4.092) 7.906 7.525 ( -0.616 1.152 -0.492) 1.396 7.537 ( 14.074 4.023 1.099) 14.679 7.734 ( 3.251 -5.255 0.228) 6.183 7.919 ( 9.539 -3.484 0.793) 10.186 8.030 ( 8.268 -7.189 3.210) 11.417 8.708 ( -0.617 -2.482 0.120) 2.560 8.779 ( 2.556 -11.241 0.096) 11.528 9.609 ( 2.949 -1.742 6.223) 7.103 9.812 ( -1.405 -0.833 -4.141) 4.451 10.283 ( -7.371 3.932 0.760) 8.389 10.386 ( -6.000 7.834 -7.508) 12.399 10.426 ( -13.204 -1.037 2.612) 13.500 10.562 ( -8.919 -5.183 -0.088) 10.316 10.963 ( 3.017 -2.541 -2.963) 4.933 10.977 ( -3.774 -1.054 7.598) 8.549 11.377 ( -5.833 1.197 -3.983) 7.164 11.482 ( 3.227 -6.886 6.419) 9.952 11.943 ( 2.032 -2.022 -4.577) 5.401 12.194 ( 14.337 -3.137 0.769) 14.696 14.099 ( -5.554 0.798 2.679) 6.218 14.296 ( -0.048 0.712 2.455) 2.556 14.457 ( 2.175 -1.982 -5.312) 6.072 14.578 ( 3.870 2.332 0.094) 4.519 14.657 ( -1.413 -2.775 2.709) 4.127 14.899 ( 4.605 -0.723 -3.212) 5.661 15.100 ( -6.354 1.531 -0.536) 6.557 15.155 ( 0.127 -0.149 3.513) 3.518 15.505 ( -5.912 3.142 1.086) 6.783 15.659 ( -4.636 1.319 -0.872) 4.898 15.783 ( 4.484 -1.161 2.296) 5.169 15.930 ( 6.733 1.478 -5.378) 8.743 25.068 ( -3.046 -0.524 0.439) 3.122 25.201 ( 0.233 0.147 -1.648) 1.671 25.222 ( 0.046 -0.485 1.040) 1.148 25.303 ( 2.679 -2.278 0.381) 3.538 25.537 ( -9.106 2.208 0.124) 9.371 25.951 ( 8.987 1.026 -0.637) 9.068 26.044 ( -1.894 -1.505 0.335) 2.442 26.266 ( 9.776 -4.918 -0.101) 10.944 26.641 ( -8.052 5.008 0.879) 9.523 26.953 ( 4.686 4.284 -1.349) 6.491 27.868 ( -15.582 10.944 1.800) 19.127 28.480 ( 9.853 5.810 -1.929) 11.600 29.151 ( 0.033 -1.479 4.474) 4.712 29.268 ( 0.648 -2.763 1.844) 3.384 29.528 ( -4.427 -9.673 -3.292) 11.135 29.726 ( 4.584 -7.072 -1.891) 8.637 ======================= Grid point 187 (81/138) ======================= q-point: (-0.09 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( 2.811 -2.316 2.288) 4.301 1.706 ( 3.886 -9.143 -0.212) 9.937 2.457 ( -2.192 12.201 9.370) 15.539 2.595 ( 5.793 9.755 16.400) 19.942 2.660 ( -4.662 5.918 3.052) 8.129 2.738 ( 0.731 6.437 -5.218) 8.319 2.977 ( 2.261 5.781 -1.871) 6.484 3.207 ( 3.449 6.467 -3.911) 8.307 3.267 ( -0.632 3.898 -4.074) 5.674 3.347 ( 3.512 -1.010 4.478) 5.780 3.431 ( -0.611 1.579 2.113) 2.707 3.463 ( -3.193 3.879 2.782) 5.744 3.686 ( 0.596 -2.744 -6.325) 6.920 3.735 ( -0.288 -0.125 1.867) 1.894 3.999 ( -7.048 1.648 -0.930) 7.298 4.141 ( -5.166 -2.218 -4.216) 7.027 4.219 ( -2.817 -1.462 2.690) 4.160 4.269 ( -6.101 6.613 6.014) 10.823 4.796 ( -5.131 8.296 -6.726) 11.849 4.949 ( -1.779 3.103 -1.607) 3.921 5.026 ( 6.515 0.892 -1.757) 6.806 5.124 ( 1.869 9.101 -4.919) 10.513 5.360 ( -9.195 5.782 -3.785) 11.502 5.367 ( -4.255 8.378 0.565) 9.413 5.564 ( -0.187 7.796 -3.549) 8.568 5.578 ( -12.434 8.590 -3.961) 15.623 6.073 ( -1.561 4.358 4.204) 6.253 6.191 ( 8.262 7.322 0.406) 11.047 6.378 ( 10.344 7.765 4.724) 13.769 6.417 ( 3.014 11.358 2.866) 12.096 6.633 ( 11.900 7.873 1.760) 14.377 6.704 ( 6.566 2.743 -0.024) 7.116 6.811 ( 7.402 12.354 -2.917) 14.694 6.874 ( 6.665 1.698 -0.694) 6.913 7.120 ( 2.912 2.575 -2.101) 4.418 7.229 ( 2.753 1.176 -1.367) 3.291 7.300 ( 1.504 3.762 -2.426) 4.722 7.425 ( 1.079 9.245 -0.123) 9.309 7.545 ( 12.098 10.408 -0.040) 15.959 7.777 ( 9.123 11.110 -0.060) 14.375 7.919 ( 7.476 9.959 3.409) 12.911 8.158 ( 5.206 -2.898 2.049) 6.301 8.796 ( -4.241 -10.423 -0.267) 11.256 9.057 ( 1.380 -16.554 1.856) 16.715 9.730 ( 1.997 -8.690 2.840) 9.358 9.886 ( 0.259 -8.799 -1.995) 9.026 10.130 ( -5.762 3.282 -4.002) 7.745 10.266 ( -11.077 -2.572 1.110) 11.426 10.343 ( -14.646 -5.332 0.455) 15.593 10.572 ( -8.447 -5.819 -0.126) 10.258 10.935 ( -7.383 -0.591 7.732) 10.707 11.039 ( -1.893 -4.753 -4.545) 6.843 11.295 ( -3.245 1.400 -3.438) 4.931 11.637 ( 0.721 -7.216 2.191) 7.575 12.001 ( 6.125 -0.755 0.255) 6.177 12.325 ( 10.985 2.897 0.138) 11.361 14.007 ( -7.201 1.556 2.214) 7.692 14.291 ( 1.766 0.467 1.433) 2.322 14.465 ( 1.148 2.274 -9.428) 9.766 14.600 ( 0.686 -1.036 -0.966) 1.574 14.734 ( 3.846 -3.168 7.549) 9.045 14.898 ( 1.346 4.263 1.059) 4.594 15.063 ( -4.021 -4.167 -2.920) 6.485 15.164 ( 1.548 0.771 3.363) 3.782 15.376 ( -6.495 4.418 -0.065) 7.856 15.587 ( -2.678 1.999 0.903) 3.461 15.864 ( 2.896 -3.111 0.528) 4.283 15.949 ( 7.001 4.091 -5.276) 9.674 25.051 ( -2.342 -0.561 0.387) 2.440 25.208 ( -0.218 -1.165 -1.762) 2.123 25.238 ( -0.586 -1.713 1.161) 2.151 25.362 ( 1.004 -2.096 0.399) 2.358 25.425 ( -6.245 1.769 0.078) 6.491 26.008 ( 4.417 0.498 -1.782) 4.788 26.039 ( 2.196 1.067 1.530) 2.881 26.439 ( 7.788 -1.092 0.439) 7.876 26.496 ( -1.923 2.616 0.123) 3.249 26.928 ( 5.498 4.491 -1.827) 7.330 27.537 ( -12.189 11.968 3.079) 17.358 28.477 ( 9.708 5.806 -4.038) 12.011 29.182 ( -0.905 -2.541 6.093) 6.663 29.309 ( -0.322 -1.716 1.532) 2.323 29.616 ( -6.551 -7.355 -2.837) 10.250 29.895 ( -0.350 -10.120 -1.954) 10.313 ======================= Grid point 193 (82/138) ======================= q-point: ( 0.45 0.45 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( 1.931 -0.000 4.767) 5.143 1.070 ( -11.407 0.000 1.228) 11.473 2.566 ( 3.496 -0.000 9.565) 10.184 2.766 ( 9.935 -0.000 4.784) 11.027 2.931 ( 0.831 -0.000 10.917) 10.948 3.019 ( 4.699 -0.000 2.897) 5.520 3.119 ( -1.620 0.000 -3.572) 3.922 3.161 ( 14.393 -0.000 -5.862) 15.541 3.179 ( -1.258 0.000 -2.223) 2.554 3.191 ( -1.184 0.000 1.009) 1.556 3.402 ( -1.992 0.000 9.726) 9.928 3.442 ( -11.010 0.000 0.695) 11.032 3.563 ( -7.015 0.000 -9.932) 12.160 3.740 ( 4.773 -0.000 -5.747) 7.471 3.808 ( 3.229 -0.000 1.991) 3.793 4.030 ( -2.764 0.000 -3.839) 4.730 4.219 ( 3.246 -0.000 -3.590) 4.840 4.310 ( 5.579 -0.000 4.430) 7.124 4.699 ( -2.208 0.000 12.228) 12.426 4.759 ( -4.740 0.000 -5.495) 7.257 5.166 ( 1.955 -0.000 -2.126) 2.888 5.247 ( -1.788 0.000 -4.998) 5.308 5.298 ( 2.236 -0.000 2.256) 3.177 5.508 ( 4.309 -0.000 10.308) 11.172 5.877 ( 2.856 -0.000 -4.315) 5.174 5.896 ( -1.139 0.000 -14.566) 14.610 6.070 ( 2.231 -0.000 -7.285) 7.619 6.089 ( 3.718 -0.000 -10.524) 11.161 6.390 ( 3.242 -0.000 3.980) 5.134 6.527 ( 7.974 -0.000 0.148) 7.976 6.659 ( 1.989 -0.000 -0.670) 2.099 6.683 ( 14.762 -0.000 6.166) 15.998 6.779 ( -2.255 0.000 -1.604) 2.767 6.967 ( 0.276 -0.000 1.463) 1.488 7.349 ( 3.043 -0.000 7.187) 7.805 7.518 ( 15.094 -0.000 -4.139) 15.651 7.618 ( 9.787 -0.000 4.364) 10.716 7.798 ( 5.198 -0.000 -3.019) 6.011 7.865 ( 5.576 -0.000 -2.957) 6.311 7.898 ( 7.693 -0.000 -3.197) 8.331 8.258 ( 3.148 -0.000 8.899) 9.439 8.280 ( 11.027 -0.000 1.695) 11.156 8.638 ( -10.734 0.000 2.920) 11.124 8.718 ( -6.676 0.000 0.140) 6.677 9.598 ( -8.488 0.000 0.219) 8.491 9.723 ( -8.009 0.000 0.444) 8.021 10.335 ( -6.170 0.000 2.420) 6.627 10.372 ( 0.439 -0.000 -3.416) 3.444 10.515 ( -5.304 0.000 3.341) 6.268 10.708 ( -0.122 0.000 -7.776) 7.777 10.763 ( -4.760 0.000 5.641) 7.381 11.115 ( -2.178 0.000 -14.647) 14.808 11.382 ( 2.276 -0.000 4.682) 5.206 11.525 ( -1.080 0.000 -0.830) 1.362 11.617 ( 5.084 -0.000 13.088) 14.041 12.229 ( -3.541 0.000 -7.532) 8.323 13.843 ( -0.093 0.000 6.938) 6.939 14.238 ( -0.176 0.000 -9.783) 9.784 14.612 ( 1.901 -0.000 7.362) 7.604 14.695 ( -2.059 0.000 4.498) 4.947 14.763 ( 0.083 -0.000 3.649) 3.650 14.847 ( 3.831 -0.000 -5.770) 6.926 15.196 ( 3.499 -0.000 -1.228) 3.708 15.231 ( 3.568 -0.000 -0.869) 3.673 15.276 ( -0.826 0.000 1.666) 1.860 15.385 ( -6.974 0.000 -1.448) 7.123 15.915 ( 2.648 -0.000 -1.552) 3.069 16.023 ( -0.794 0.000 -2.182) 2.322 25.101 ( -0.064 0.000 0.692) 0.695 25.132 ( 0.373 -0.000 -1.043) 1.107 25.288 ( -0.808 0.000 0.936) 1.237 25.304 ( -0.611 0.000 -0.339) 0.699 25.530 ( -2.686 0.000 1.876) 3.276 25.566 ( 2.007 -0.000 -2.361) 3.099 25.872 ( -3.632 0.000 3.372) 4.956 25.940 ( 1.894 -0.000 -3.069) 3.606 27.026 ( 3.014 -0.000 2.934) 4.206 27.192 ( 3.448 -0.000 -5.294) 6.318 28.162 ( 5.273 -0.000 10.180) 11.465 28.658 ( 3.057 -0.000 -13.835) 14.169 29.021 ( 0.672 -0.000 5.998) 6.035 29.285 ( -4.771 0.000 10.648) 11.668 29.331 ( 5.689 -0.000 -4.077) 7.000 29.581 ( -13.133 0.000 -5.999) 14.439 ======================= Grid point 194 (83/138) ======================= q-point: (-0.45 -0.55 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( 9.431 -1.609 8.438) 12.756 1.013 ( -5.312 -3.793 -2.986) 7.178 2.594 ( 3.451 0.040 10.807) 11.345 2.890 ( -4.169 -0.415 2.797) 5.037 2.895 ( -0.501 -5.560 8.937) 10.538 3.031 ( -6.602 -0.629 1.694) 6.844 3.106 ( 0.746 0.381 -3.554) 3.651 3.159 ( 3.464 -0.184 -0.349) 3.486 3.212 ( -2.987 -3.011 -0.322) 4.254 3.326 ( -1.877 -3.535 3.807) 5.524 3.371 ( 2.939 -3.134 3.044) 5.265 3.386 ( -1.604 0.066 -3.518) 3.867 3.561 ( -3.261 -6.339 -6.713) 9.792 3.794 ( 6.684 -0.653 0.847) 6.769 3.916 ( 1.393 -6.208 -1.123) 6.460 4.024 ( -2.187 -2.167 -3.094) 4.365 4.275 ( 7.235 0.405 -2.463) 7.653 4.353 ( 3.374 -0.750 -0.627) 3.513 4.672 ( -2.438 0.177 9.359) 9.673 4.805 ( -4.916 -10.917 -2.870) 12.312 5.239 ( -0.109 -6.421 -1.111) 6.517 5.313 ( -0.626 -4.779 0.926) 4.908 5.358 ( -0.586 -9.373 -2.360) 9.683 5.577 ( 3.390 -4.725 7.224) 9.274 5.860 ( -1.898 0.046 -8.317) 8.531 5.902 ( -3.249 -3.251 -9.408) 10.470 6.071 ( -1.719 -0.220 -7.242) 7.447 6.150 ( 5.850 -2.230 -9.462) 11.345 6.416 ( -0.395 0.125 5.440) 5.455 6.589 ( 5.000 -1.025 -1.252) 5.255 6.686 ( -3.795 -5.114 4.113) 7.581 6.743 ( -7.778 -3.997 -0.912) 8.792 6.852 ( 8.893 -2.796 4.768) 10.471 6.968 ( -3.048 -0.935 -1.857) 3.690 7.273 ( -1.178 8.172 7.153) 10.924 7.540 ( -2.238 7.987 -0.106) 8.295 7.656 ( 8.236 2.294 -1.726) 8.722 7.720 ( -4.168 10.826 -1.464) 11.692 7.850 ( 3.880 5.547 -1.679) 6.974 7.900 ( -5.226 3.559 -3.282) 7.124 8.180 ( -1.749 9.793 5.475) 11.355 8.264 ( 3.432 12.096 3.565) 13.068 8.594 ( -2.750 -2.917 2.368) 4.656 8.692 ( 1.044 -1.341 -0.325) 1.730 9.580 ( 4.069 -0.485 2.972) 5.063 9.687 ( -3.312 -2.615 -1.748) 4.567 10.262 ( -2.936 2.157 2.368) 4.345 10.408 ( 4.144 -1.943 -3.859) 5.986 10.567 ( 1.166 -7.432 1.402) 7.652 10.669 ( -3.482 0.609 -1.217) 3.739 10.831 ( 1.690 -6.475 1.981) 6.979 11.101 ( -3.056 -1.733 -10.780) 11.338 11.427 ( 3.002 -2.233 3.605) 5.196 11.486 ( 0.109 4.401 3.253) 5.474 11.677 ( 3.062 -1.549 8.168) 8.860 12.094 ( -4.888 9.677 -9.374) 14.332 13.889 ( 2.123 -3.863 7.288) 8.517 14.243 ( -0.125 -0.697 -9.494) 9.520 14.589 ( -4.476 1.741 4.980) 6.919 14.682 ( 2.110 2.497 6.252) 7.055 14.747 ( 1.719 1.029 2.498) 3.203 14.857 ( 2.049 2.422 -5.280) 6.160 15.154 ( 3.163 4.117 1.458) 5.392 15.267 ( -5.209 0.035 -3.008) 6.015 15.344 ( -0.677 -7.343 0.997) 7.442 15.385 ( 0.928 -5.467 -0.718) 5.592 15.930 ( 2.311 1.293 -0.222) 2.658 15.989 ( -2.843 1.647 -3.301) 4.657 25.105 ( -0.367 -0.559 0.534) 0.856 25.134 ( 0.442 0.104 -0.753) 0.880 25.273 ( -0.251 0.914 0.638) 1.143 25.290 ( 0.220 1.176 -0.042) 1.197 25.559 ( -1.450 -5.188 1.141) 5.507 25.632 ( 2.378 -5.023 -2.288) 6.011 25.853 ( -2.447 -1.401 2.579) 3.821 25.945 ( 1.535 1.376 -1.683) 2.661 27.023 ( -0.495 1.873 2.782) 3.391 27.189 ( 0.298 2.501 -4.766) 5.391 28.221 ( 0.308 -3.727 8.890) 9.645 28.651 ( -0.347 2.328 -11.625) 11.861 29.056 ( 2.927 -1.717 7.049) 7.823 29.219 ( -2.099 3.207 7.460) 8.387 29.384 ( -3.987 -2.638 -5.651) 7.402 29.477 ( 3.376 4.238 -3.712) 6.568 ======================= Grid point 195 (84/138) ======================= q-point: (-0.36 -0.55 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 10.931 -3.325 8.727) 14.377 1.099 ( 2.827 -7.286 -5.183) 9.377 2.635 ( 1.218 -1.618 12.217) 12.384 2.827 ( -7.152 -1.260 5.046) 8.843 2.954 ( -5.089 -1.302 1.374) 5.430 2.987 ( -6.258 -2.973 2.585) 7.395 3.092 ( -6.082 -3.979 -3.422) 8.034 3.184 ( -2.797 -1.316 -0.713) 3.172 3.252 ( -0.684 -0.933 0.366) 1.213 3.347 ( 1.400 -4.680 3.497) 6.007 3.383 ( 3.802 1.958 -1.317) 4.474 3.494 ( 0.822 -5.834 2.545) 6.417 3.662 ( -3.038 -7.641 1.008) 8.284 3.861 ( 5.013 0.386 -3.258) 5.991 3.967 ( -1.423 0.478 -0.636) 1.631 4.067 ( -0.045 -3.548 -2.682) 4.448 4.280 ( 3.283 4.651 1.627) 5.921 4.433 ( 1.477 -5.284 -6.813) 8.748 4.691 ( 3.313 -2.610 4.923) 6.483 4.974 ( -5.882 -12.427 -2.494) 13.973 5.215 ( -3.686 3.721 -2.559) 5.829 5.454 ( -0.060 -9.492 4.957) 10.709 5.575 ( -0.084 -11.372 -6.110) 12.910 5.703 ( 0.989 -7.333 -5.078) 8.975 5.913 ( -3.601 -10.570 -3.829) 11.805 5.990 ( -2.436 -10.848 -3.770) 11.740 6.080 ( -7.753 -7.083 -1.817) 10.658 6.249 ( 3.518 -3.306 -3.648) 6.051 6.376 ( -6.083 -2.783 3.905) 7.746 6.668 ( -0.303 -3.888 -5.233) 6.526 6.712 ( -13.688 -4.973 1.410) 14.632 6.755 ( -4.738 -3.928 6.364) 8.853 6.904 ( -7.981 -0.074 1.106) 8.057 6.943 ( -6.764 -3.851 -0.869) 7.832 7.060 ( -8.721 11.154 6.574) 15.611 7.332 ( -3.403 8.969 1.614) 9.727 7.444 ( -3.323 14.176 -1.669) 14.656 7.606 ( -13.297 10.289 -0.758) 16.830 7.690 ( 4.695 7.169 -1.933) 8.785 7.804 ( 3.672 5.175 -2.363) 6.771 7.991 ( -0.974 11.530 0.768) 11.597 8.060 ( 10.050 13.952 3.947) 17.642 8.634 ( -0.531 -2.269 0.940) 2.513 8.743 ( 7.572 1.371 0.399) 7.705 9.628 ( 3.242 -0.252 3.368) 4.681 9.765 ( 5.228 -3.909 -1.786) 6.768 10.219 ( -3.585 -1.167 1.268) 3.978 10.477 ( 4.465 -0.001 -4.706) 6.487 10.606 ( -4.930 1.450 0.827) 5.205 10.742 ( 2.665 -7.961 1.459) 8.521 10.973 ( 7.938 -4.185 5.894) 10.736 11.093 ( -4.467 -0.603 -8.199) 9.357 11.390 ( -0.037 6.208 5.146) 8.064 11.481 ( -1.353 0.655 -2.694) 3.085 11.732 ( 7.051 -1.445 5.328) 8.955 11.901 ( -3.076 4.904 -6.959) 9.052 13.992 ( 2.540 -4.766 6.214) 8.233 14.250 ( 0.434 -0.325 -7.397) 7.417 14.503 ( -2.555 3.539 5.209) 6.796 14.643 ( -3.098 0.991 2.447) 4.070 14.748 ( 1.755 3.163 -0.413) 3.641 14.832 ( 2.131 1.274 -3.335) 4.158 15.143 ( 2.939 0.871 5.364) 6.179 15.214 ( -3.732 0.835 -5.006) 6.300 15.450 ( -3.411 -7.371 -0.199) 8.124 15.502 ( 1.823 -5.636 1.991) 6.249 15.913 ( -0.869 1.779 -2.127) 2.906 15.929 ( -0.449 2.682 -2.107) 3.440 25.087 ( -3.164 0.277 -0.028) 3.176 25.163 ( 3.264 -1.143 -0.118) 3.460 25.256 ( 0.402 1.525 0.411) 1.630 25.278 ( 1.069 0.931 0.235) 1.437 25.620 ( -5.151 -4.499 -0.220) 6.843 25.783 ( 6.695 -7.598 -1.335) 10.214 25.875 ( -1.046 -3.109 1.205) 3.494 25.940 ( 1.973 0.294 0.023) 1.995 26.950 ( -5.425 3.738 2.356) 6.997 27.128 ( -0.728 3.734 -3.502) 5.171 28.266 ( -7.355 -3.483 5.780) 9.982 28.583 ( -1.463 3.197 -7.829) 8.582 29.124 ( 3.036 -2.235 7.676) 8.552 29.162 ( -0.139 1.678 4.765) 5.054 29.335 ( -2.680 1.339 -3.796) 4.836 29.519 ( 10.958 1.636 -5.123) 12.206 ======================= Grid point 196 (85/138) ======================= q-point: (-0.27 -0.55 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( 10.645 -5.583 6.955) 13.888 1.278 ( 7.139 -7.605 -4.770) 11.470 2.649 ( -4.527 -0.826 12.744) 13.549 2.795 ( -7.582 -2.924 9.005) 12.129 2.906 ( -1.064 1.815 1.295) 2.470 3.014 ( -1.501 -4.665 0.046) 4.900 3.097 ( -8.230 -2.517 -4.701) 9.807 3.175 ( -4.425 -1.603 -2.038) 5.129 3.223 ( -4.175 -0.636 -1.290) 4.416 3.387 ( 4.956 2.292 2.341) 5.941 3.465 ( 4.494 -4.369 2.299) 6.676 3.550 ( -2.214 -1.234 2.026) 3.245 3.756 ( -6.949 -8.823 4.840) 12.229 3.856 ( 0.565 3.166 -2.658) 4.172 3.912 ( 0.017 4.492 -4.721) 6.517 4.083 ( -2.200 -0.088 -1.327) 2.571 4.207 ( -0.096 4.653 0.122) 4.656 4.552 ( -1.874 -6.791 0.998) 7.115 4.781 ( 6.882 -1.110 -2.242) 7.322 5.008 ( -6.725 -0.691 -3.157) 7.461 5.169 ( -1.540 -1.591 -8.785) 9.060 5.512 ( -1.472 3.806 -6.110) 7.348 5.683 ( -3.026 -8.549 6.541) 11.182 5.781 ( -10.125 1.261 -3.809) 10.891 5.996 ( -13.457 -6.883 -5.557) 16.104 6.076 ( -10.240 -0.656 -0.279) 10.265 6.163 ( -0.156 -7.074 2.069) 7.372 6.319 ( -10.802 -5.616 -0.750) 12.198 6.440 ( -14.960 -5.632 2.638) 16.202 6.537 ( -5.264 -0.372 -0.202) 5.281 6.623 ( -16.427 4.813 5.591) 18.007 6.742 ( -10.296 -6.457 1.277) 12.220 6.861 ( -2.800 -9.667 -2.984) 10.498 6.930 ( -5.977 -7.126 3.045) 9.787 6.969 ( -6.355 -5.847 -3.049) 9.158 7.114 ( -4.786 4.358 0.685) 6.509 7.317 ( 3.065 4.835 1.263) 5.862 7.442 ( 8.336 5.650 0.531) 10.085 7.632 ( 3.535 5.164 -1.321) 6.396 7.715 ( 2.851 7.528 0.115) 8.051 7.887 ( 9.586 3.302 -0.688) 10.162 8.008 ( 12.386 6.877 1.158) 14.214 8.650 ( 2.791 0.998 0.497) 3.005 8.783 ( 7.323 2.523 0.296) 7.751 9.658 ( 3.439 0.837 4.210) 5.500 9.833 ( 1.712 0.480 -2.365) 2.959 10.240 ( -3.065 -4.576 0.572) 5.538 10.461 ( -0.707 4.847 -4.168) 6.432 10.523 ( -5.923 1.565 2.735) 6.710 10.852 ( -0.759 -3.973 5.222) 6.605 10.910 ( -6.650 12.965 -7.895) 16.572 11.105 ( 4.689 4.236 2.481) 6.789 11.314 ( 2.957 -0.150 6.835) 7.449 11.421 ( -0.829 1.495 -4.662) 4.966 11.830 ( 0.507 -2.357 -5.277) 5.802 11.971 ( 10.644 -8.808 2.745) 14.086 14.069 ( -0.275 -2.544 3.598) 4.415 14.274 ( 2.054 -1.156 -2.680) 3.569 14.447 ( 0.384 1.728 4.556) 4.888 14.600 ( -3.940 -0.279 0.025) 3.950 14.683 ( -0.921 3.621 -2.116) 4.294 14.857 ( 3.856 -0.369 -3.345) 5.118 15.140 ( -6.954 -0.294 -2.516) 7.401 15.182 ( 4.286 1.820 5.170) 6.958 15.513 ( -4.153 -4.178 -0.900) 5.959 15.584 ( -1.102 -3.171 3.808) 5.076 15.861 ( -1.156 2.531 -4.003) 4.876 15.919 ( 3.329 -0.221 -1.607) 3.703 25.053 ( -2.979 0.060 -0.026) 2.979 25.215 ( 1.034 -1.239 0.104) 1.617 25.236 ( 2.661 1.647 -0.014) 3.130 25.275 ( 1.588 0.892 0.405) 1.866 25.591 ( -7.501 0.180 -0.672) 7.534 25.927 ( -0.579 -3.786 1.067) 3.976 25.965 ( 9.492 -1.234 -0.385) 9.580 26.022 ( 4.429 -9.285 -0.372) 10.294 26.799 ( -9.705 4.920 1.429) 10.975 27.067 ( -0.045 2.873 -1.970) 3.484 28.138 ( -16.105 4.551 1.412) 16.796 28.565 ( 1.016 -0.865 -2.435) 2.777 29.151 ( 2.448 0.594 4.618) 5.261 29.188 ( 0.172 -2.447 4.457) 5.087 29.331 ( 4.757 0.058 -2.365) 5.313 29.606 ( 9.475 -0.216 -4.774) 10.612 ======================= Grid point 197 (86/138) ======================= q-point: (-0.18 -0.55 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 9.877 -7.808 5.330) 13.672 1.464 ( 7.664 -5.605 -3.631) 10.166 2.583 ( -8.085 0.526 12.604) 14.983 2.770 ( -4.665 -0.702 11.569) 12.494 2.876 ( 0.745 2.803 1.680) 3.352 2.980 ( -8.480 5.912 -2.519) 10.640 3.093 ( -5.234 -4.588 -3.451) 7.769 3.137 ( 3.091 0.237 0.145) 3.104 3.238 ( -4.828 -4.727 -4.349) 8.035 3.412 ( 2.450 0.038 2.517) 3.512 3.500 ( -0.482 3.962 3.438) 5.268 3.571 ( 2.611 -2.878 -0.395) 3.906 3.714 ( -9.587 1.833 4.246) 10.644 3.778 ( -2.382 6.146 -7.377) 9.893 3.912 ( -0.465 -5.511 -2.965) 6.275 4.048 ( -4.292 1.054 -2.118) 4.901 4.175 ( 2.792 0.064 5.897) 6.525 4.508 ( -10.901 4.136 8.002) 14.141 4.862 ( 2.203 -1.591 -13.038) 13.318 4.985 ( 0.386 -2.069 -4.181) 4.681 5.202 ( 0.224 -0.572 -7.828) 7.852 5.308 ( -12.220 10.673 -1.877) 16.333 5.549 ( -9.512 7.029 -7.129) 13.810 5.666 ( -18.668 5.108 5.264) 20.057 5.858 ( -13.794 6.778 -3.001) 15.659 5.925 ( -7.567 -0.576 10.216) 12.726 6.009 ( -21.199 9.961 -3.741) 23.719 6.284 ( -4.534 -3.821 -5.172) 7.868 6.382 ( 0.741 -4.525 5.602) 7.239 6.532 ( -2.778 -11.347 1.080) 11.732 6.630 ( -0.076 2.246 5.267) 5.726 6.820 ( 1.735 -3.604 4.067) 5.704 6.961 ( -0.077 1.833 -8.170) 8.374 6.988 ( -4.280 -7.289 1.839) 8.651 7.069 ( 2.048 -8.324 -1.144) 8.648 7.256 ( -2.463 -14.167 -0.008) 14.379 7.266 ( 4.464 3.971 -1.868) 6.260 7.492 ( 1.526 -7.754 -0.869) 7.951 7.560 ( -0.938 4.599 1.554) 4.944 7.724 ( 7.027 -1.497 -0.641) 7.213 8.018 ( 11.119 -4.716 1.738) 12.202 8.067 ( 14.689 1.070 1.133) 14.771 8.689 ( 6.378 -1.375 -0.534) 6.547 8.786 ( 4.977 4.720 0.177) 6.862 9.663 ( 4.386 2.684 5.606) 7.608 9.814 ( 0.079 1.633 -3.142) 3.542 10.262 ( -5.232 -1.006 -0.292) 5.336 10.321 ( -8.513 5.795 1.432) 10.397 10.436 ( -4.053 2.215 1.205) 4.773 10.556 ( -9.961 16.123 -8.929) 20.950 10.883 ( -3.788 -2.342 6.492) 7.873 11.028 ( 1.115 4.967 -0.248) 5.097 11.379 ( -1.047 2.478 -2.824) 3.900 11.431 ( 6.264 -4.206 5.747) 9.485 11.901 ( 1.507 -5.252 -5.286) 7.602 12.238 ( 12.964 -7.572 1.346) 15.074 14.066 ( -3.720 0.794 2.488) 4.545 14.303 ( 0.347 -0.358 1.751) 1.820 14.449 ( 1.244 -0.446 -1.872) 2.291 14.595 ( -1.778 -2.319 -0.031) 2.923 14.643 ( 2.411 0.863 0.414) 2.594 14.914 ( 3.762 -1.922 -3.568) 5.529 15.053 ( -7.450 1.412 -1.327) 7.698 15.189 ( 2.879 2.067 5.076) 6.191 15.491 ( -5.502 1.308 0.395) 5.669 15.600 ( -4.357 -2.300 1.326) 5.102 15.821 ( 1.553 1.686 -1.798) 2.914 15.987 ( 5.376 -1.812 -3.137) 6.483 25.031 ( -2.190 -0.410 0.191) 2.236 25.205 ( -0.693 0.684 -0.625) 1.158 25.242 ( 1.234 1.415 0.555) 1.958 25.305 ( 3.556 -1.102 0.183) 3.727 25.495 ( -7.164 2.132 -0.287) 7.480 25.980 ( -0.529 -2.935 0.017) 2.983 26.049 ( 6.597 -0.295 0.097) 6.604 26.253 ( 10.313 -8.224 -0.022) 13.191 26.626 ( -9.932 3.786 0.847) 10.663 27.030 ( 0.341 1.874 -1.369) 2.345 27.862 ( -17.410 7.801 0.921) 19.100 28.591 ( 1.254 -0.422 -0.795) 1.544 29.165 ( 2.489 0.834 3.866) 4.673 29.237 ( 1.774 -2.337 2.567) 3.899 29.399 ( 2.805 -2.895 -2.851) 4.937 29.706 ( 7.383 -1.955 -2.808) 8.137 ======================= Grid point 198 (87/138) ======================= q-point: (-0.09 -0.55 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( 7.411 -3.667 5.172) 9.753 1.609 ( 4.735 -6.286 -3.116) 8.464 2.511 ( -6.420 -0.248 12.866) 14.380 2.714 ( -6.110 8.185 2.072) 10.422 2.743 ( -1.802 3.861 9.121) 10.067 2.854 ( 1.767 4.337 0.291) 4.692 3.052 ( -3.570 0.747 -3.187) 4.844 3.239 ( -3.063 0.564 -4.871) 5.782 3.254 ( 4.058 -5.317 1.081) 6.776 3.405 ( 1.114 1.555 0.986) 2.152 3.421 ( -3.052 3.073 -0.607) 4.373 3.532 ( -4.563 4.760 4.096) 7.763 3.667 ( 0.512 -0.735 -5.292) 5.368 3.727 ( 1.555 -0.767 -0.596) 1.834 3.951 ( -5.154 -1.006 -3.559) 6.344 4.011 ( -3.252 -2.554 -1.019) 4.259 4.223 ( 4.103 -0.338 8.317) 9.280 4.308 ( -8.579 5.827 5.278) 11.637 4.840 ( -5.028 2.865 -10.697) 12.162 4.956 ( -11.044 6.272 -0.385) 12.707 5.060 ( 4.495 -2.323 -2.692) 5.731 5.242 ( -0.017 2.683 -6.400) 6.940 5.355 ( -9.644 4.608 -2.686) 11.020 5.433 ( -6.334 5.848 -1.773) 8.801 5.555 ( -17.847 8.461 0.039) 19.751 5.688 ( -0.181 4.486 -7.663) 8.881 6.028 ( -3.186 -4.842 10.455) 11.954 6.301 ( 0.976 0.175 -2.872) 3.038 6.484 ( 4.275 -2.685 6.983) 8.617 6.574 ( 2.257 4.275 -0.813) 4.902 6.672 ( -0.896 -6.583 3.921) 7.715 6.817 ( 1.282 4.931 2.231) 5.562 6.960 ( 6.020 1.074 -7.587) 9.744 7.057 ( 0.160 -0.828 1.301) 1.550 7.152 ( 2.979 5.899 -1.872) 6.868 7.217 ( 3.394 -5.181 -0.310) 6.202 7.416 ( -5.571 -5.328 -0.680) 7.738 7.434 ( 0.725 8.129 -1.186) 8.247 7.686 ( 1.585 -6.845 -0.060) 7.027 7.844 ( 5.512 -4.100 -2.151) 7.199 8.174 ( 6.477 -2.963 1.333) 7.246 8.222 ( 12.800 0.683 4.890) 13.720 8.719 ( 2.565 5.733 2.025) 6.599 8.843 ( 4.112 -9.949 -2.040) 10.957 9.683 ( 4.108 -0.402 3.110) 5.168 9.807 ( 1.895 -0.864 -0.747) 2.212 10.123 ( -9.830 5.443 2.887) 11.602 10.179 ( -7.730 0.931 -0.245) 7.789 10.251 ( -7.445 9.313 -7.270) 13.965 10.406 ( -4.912 -2.884 0.368) 5.708 10.852 ( -6.905 -0.374 8.319) 10.817 10.998 ( 0.873 -0.126 -4.470) 4.556 11.320 ( 0.406 3.267 -2.262) 3.994 11.547 ( 1.143 -4.531 1.365) 4.868 12.009 ( 3.549 -4.126 0.006) 5.442 12.434 ( 9.808 -1.932 -0.469) 10.008 13.986 ( -4.634 2.749 3.486) 6.418 14.304 ( 0.086 -0.161 1.950) 1.958 14.469 ( -0.800 -1.367 -7.448) 7.614 14.600 ( -0.208 0.209 -2.401) 2.419 14.720 ( 4.661 -3.689 6.151) 8.554 14.955 ( -6.026 -0.865 -0.899) 6.154 14.991 ( 5.219 1.353 -0.713) 5.439 15.185 ( 1.638 0.358 3.390) 3.782 15.382 ( -6.615 3.844 0.200) 7.654 15.578 ( -3.276 0.100 -0.289) 3.291 15.842 ( 1.531 -1.854 0.174) 2.411 16.049 ( 4.825 0.828 -4.089) 6.379 25.022 ( -1.363 -0.516 0.488) 1.537 25.191 ( -0.804 -0.041 -1.281) 1.513 25.230 ( 0.572 0.664 0.623) 1.076 25.350 ( 1.458 -0.884 0.242) 1.722 25.404 ( -4.134 1.588 0.090) 4.429 26.009 ( -0.505 -1.087 -0.629) 1.354 26.102 ( 5.164 0.654 0.493) 5.229 26.461 ( 3.732 -3.408 0.567) 5.085 26.509 ( 0.300 0.161 0.055) 0.345 27.009 ( 0.960 1.366 -1.575) 2.296 27.577 ( -13.342 7.684 1.901) 15.513 28.603 ( 2.299 0.800 -1.055) 2.653 29.174 ( 2.277 0.880 4.058) 4.736 29.287 ( 1.106 -1.536 2.281) 2.964 29.463 ( -1.553 -3.975 -4.453) 6.168 29.803 ( 3.399 -3.142 -1.273) 4.800 ======================= Grid point 205 (88/138) ======================= q-point: (-0.45 -0.45 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( 17.151 -0.000 10.598) 20.162 0.945 ( -0.425 0.000 -5.357) 5.374 2.625 ( 2.140 -0.000 13.013) 13.188 2.771 ( -10.523 0.000 5.906) 12.068 2.818 ( -13.023 0.000 5.903) 14.298 2.934 ( -9.795 0.000 -2.601) 10.134 3.139 ( -4.537 0.000 -0.915) 4.628 3.156 ( 2.747 -0.000 -2.672) 3.832 3.205 ( 4.711 -0.000 1.138) 4.847 3.208 ( -10.288 0.000 -0.384) 10.295 3.307 ( -4.331 0.000 4.534) 6.270 3.446 ( 10.416 -0.000 -1.618) 10.541 3.524 ( 3.768 -0.000 -7.531) 8.421 3.867 ( 2.796 -0.000 3.581) 4.543 3.870 ( 6.724 -0.000 -2.283) 7.101 3.975 ( -2.293 0.000 -4.375) 4.939 4.336 ( 6.839 -0.000 -3.907) 7.876 4.403 ( 4.017 -0.000 2.499) 4.731 4.638 ( -3.782 0.000 16.704) 17.126 4.670 ( -3.948 0.000 -8.873) 9.711 5.186 ( -3.874 0.000 -3.004) 4.903 5.188 ( 0.220 -0.000 -1.825) 1.838 5.303 ( -1.687 0.000 1.910) 2.549 5.574 ( 1.571 -0.000 9.434) 9.564 5.817 ( -7.638 0.000 -6.882) 10.281 5.847 ( -3.257 0.000 -9.980) 10.498 6.050 ( -3.994 0.000 -13.929) 14.490 6.181 ( 4.875 -0.000 -8.846) 10.100 6.404 ( -2.485 0.000 5.088) 5.662 6.576 ( -6.126 0.000 -1.221) 6.247 6.600 ( -13.273 0.000 0.928) 13.305 6.618 ( -0.942 0.000 6.143) 6.214 6.893 ( -9.401 0.000 -4.518) 10.431 6.901 ( 3.654 -0.000 4.825) 6.052 7.299 ( -8.084 0.000 4.816) 9.410 7.607 ( -6.446 0.000 -1.492) 6.617 7.628 ( -7.233 0.000 4.723) 8.638 7.762 ( -8.035 0.000 -3.848) 8.909 7.873 ( -5.231 0.000 -3.298) 6.184 7.874 ( -10.043 0.000 -2.800) 10.426 8.170 ( -14.770 0.000 6.235) 16.032 8.424 ( 3.666 -0.000 5.342) 6.479 8.578 ( 4.993 -0.000 2.324) 5.508 8.712 ( 7.975 -0.000 -0.088) 7.976 9.666 ( 2.986 -0.000 -2.464) 3.871 9.672 ( 14.669 -0.000 3.202) 15.015 10.293 ( 1.308 -0.000 0.280) 1.337 10.419 ( 3.797 -0.000 -0.675) 3.857 10.506 ( 5.391 -0.000 0.879) 5.462 10.726 ( 0.351 -0.000 5.631) 5.642 10.731 ( 2.793 -0.000 -6.388) 6.972 11.076 ( -0.896 0.000 -10.990) 11.026 11.435 ( 2.604 -0.000 3.036) 4.000 11.504 ( -0.937 0.000 -1.836) 2.061 11.731 ( 6.538 -0.000 17.008) 18.221 12.113 ( -7.868 0.000 -11.908) 14.273 13.884 ( 3.877 -0.000 7.562) 8.498 14.235 ( 0.093 -0.000 -10.740) 10.741 14.551 ( -5.255 0.000 5.195) 7.389 14.742 ( -1.681 0.000 3.405) 3.798 14.764 ( 5.524 -0.000 6.258) 8.347 14.902 ( 0.543 -0.000 -4.468) 4.501 15.213 ( -3.377 0.000 -0.996) 3.521 15.231 ( -3.389 0.000 -1.772) 3.824 15.263 ( 1.717 -0.000 2.471) 3.009 15.336 ( 2.431 -0.000 -1.994) 3.145 15.962 ( -5.048 0.000 -4.517) 6.774 15.963 ( 1.807 -0.000 0.756) 1.959 25.098 ( -0.372 0.000 0.511) 0.632 25.136 ( 0.121 -0.000 -0.863) 0.872 25.281 ( 0.224 -0.000 0.643) 0.681 25.311 ( 1.318 -0.000 -0.045) 1.319 25.505 ( -0.014 0.000 0.632) 0.633 25.606 ( 1.822 -0.000 -1.281) 2.228 25.823 ( -1.163 0.000 1.895) 2.223 25.975 ( 1.735 -0.000 -1.428) 2.247 27.018 ( -3.791 0.000 2.665) 4.634 27.197 ( -3.046 0.000 -5.012) 5.865 28.165 ( -5.055 0.000 10.279) 11.455 28.651 ( -3.678 0.000 -13.477) 13.970 29.082 ( 4.565 -0.000 6.559) 7.992 29.252 ( 1.900 -0.000 10.528) 10.698 29.292 ( -7.038 0.000 -5.915) 9.194 29.600 ( 12.838 -0.000 -5.071) 13.803 ======================= Grid point 206 (89/138) ======================= q-point: (-0.36 -0.45 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( 7.767 -3.145 -4.301) 9.419 1.096 ( 16.412 -0.423 8.150) 18.329 2.630 ( -2.653 0.419 14.629) 14.874 2.682 ( -16.320 -2.399 6.001) 17.553 2.720 ( -13.242 -8.464 4.490) 16.344 2.873 ( -8.650 -3.748 -4.449) 10.424 3.059 ( -7.552 0.584 -1.825) 7.792 3.122 ( -4.204 1.175 -1.076) 4.496 3.233 ( -0.274 -1.151 1.831) 2.180 3.235 ( -2.116 -6.163 -0.196) 6.519 3.354 ( 1.906 -6.423 2.766) 7.248 3.520 ( 7.597 1.991 -2.506) 8.244 3.592 ( 4.410 -1.243 -0.363) 4.597 3.896 ( 1.927 -0.765 0.580) 2.153 3.938 ( -0.530 -2.977 -1.073) 3.208 4.017 ( 4.425 -3.237 -4.932) 7.375 4.360 ( -1.634 2.761 -1.196) 3.424 4.408 ( 1.707 1.092 1.048) 2.281 4.668 ( 3.186 -4.277 2.075) 5.723 4.713 ( -3.883 -10.060 0.616) 10.801 5.179 ( -6.055 -2.154 -4.381) 7.778 5.303 ( -2.350 -13.179 -4.481) 14.117 5.321 ( -1.735 -5.456 6.510) 8.669 5.611 ( -0.909 -4.912 4.232) 6.547 5.744 ( -8.343 -3.020 -5.376) 10.374 5.830 ( -4.532 -2.967 -8.170) 9.802 5.994 ( -5.557 0.731 -10.857) 12.218 6.233 ( 1.486 -1.884 -6.222) 6.669 6.303 ( -13.436 4.513 2.634) 14.417 6.486 ( -12.677 -4.507 4.241) 14.107 6.550 ( -8.553 -4.008 -1.559) 9.573 6.656 ( -4.885 -6.302 3.358) 8.652 6.799 ( -11.687 -0.229 -2.599) 11.975 6.847 ( -11.899 3.696 1.644) 12.568 7.127 ( -11.224 6.372 5.376) 13.981 7.356 ( -23.006 8.853 -0.080) 24.651 7.546 ( -4.890 2.892 2.387) 6.162 7.637 ( -11.642 8.294 1.204) 14.345 7.719 ( -7.469 0.454 -3.454) 8.242 7.835 ( -6.737 -2.831 -4.844) 8.767 8.043 ( -7.649 0.188 4.129) 8.694 8.322 ( -0.102 11.576 7.047) 13.552 8.654 ( 9.147 -0.005 0.218) 9.150 8.840 ( 11.584 -1.706 0.532) 11.721 9.693 ( 7.176 2.227 -1.196) 7.608 9.845 ( 16.758 0.048 2.224) 16.905 10.229 ( 0.155 5.153 -1.013) 5.254 10.518 ( 5.283 -0.931 0.548) 5.393 10.624 ( 4.548 -7.172 0.769) 8.528 10.667 ( 3.400 5.165 -3.183) 6.954 10.901 ( 5.825 -10.701 1.746) 12.308 11.073 ( 0.360 0.015 -7.431) 7.440 11.454 ( -0.760 0.209 0.389) 0.879 11.515 ( 3.542 0.690 3.453) 4.994 11.763 ( 4.835 2.023 11.410) 12.556 11.973 ( -6.659 6.156 -10.298) 13.722 13.958 ( 4.640 -3.100 6.338) 8.444 14.242 ( 0.197 -0.865 -10.015) 10.054 14.496 ( -4.812 0.711 3.751) 6.143 14.679 ( -1.057 4.274 4.293) 6.150 14.823 ( 3.653 1.638 2.752) 4.859 14.854 ( -1.864 1.729 -2.044) 3.262 15.150 ( -3.042 1.591 -2.875) 4.478 15.255 ( 3.089 1.939 1.744) 4.042 15.280 ( -4.105 -7.060 -0.666) 8.194 15.423 ( 1.775 -5.563 1.395) 6.003 15.898 ( -5.531 0.921 -5.256) 7.685 15.966 ( 0.596 1.003 0.450) 1.251 25.079 ( -1.280 1.256 -0.026) 1.794 25.156 ( 1.013 -1.713 -0.521) 2.057 25.286 ( 1.520 0.206 0.703) 1.687 25.312 ( 1.849 1.603 0.326) 2.468 25.526 ( -1.538 -2.203 -0.437) 2.723 25.688 ( 2.275 -7.509 0.377) 7.855 25.835 ( 1.062 -1.463 -0.182) 1.817 25.981 ( 2.405 0.957 -0.096) 2.590 26.944 ( -7.352 2.828 2.400) 8.234 27.139 ( -5.505 1.190 -4.351) 7.118 28.124 ( -10.097 -2.921 9.366) 14.078 28.581 ( -6.528 1.662 -13.261) 14.874 29.129 ( 3.433 -0.588 4.544) 5.725 29.211 ( -0.335 2.384 2.312) 3.338 29.318 ( 3.888 -1.784 6.067) 7.423 29.708 ( 15.790 3.621 -6.542) 17.471 ======================= Grid point 207 (90/138) ======================= q-point: (-0.27 -0.45 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( 11.953 -3.364 0.508) 12.428 1.260 ( 12.623 -3.413 2.020) 13.231 2.575 ( -9.723 -1.639 14.812) 17.794 2.598 ( -15.848 -5.973 6.559) 18.162 2.795 ( -6.385 -9.885 5.591) 13.028 2.889 ( -7.745 -7.090 -6.410) 12.302 2.997 ( -4.820 -0.690 -2.726) 5.581 3.064 ( -5.028 -0.307 -0.552) 5.068 3.236 ( -0.736 0.932 1.579) 1.976 3.333 ( -3.745 -7.998 -0.336) 8.838 3.491 ( 5.253 -3.807 1.753) 6.720 3.551 ( 4.623 0.419 -0.220) 4.647 3.604 ( -1.925 0.407 5.271) 5.626 3.889 ( -2.836 0.609 -0.215) 2.908 3.968 ( 0.581 1.322 -1.728) 2.252 4.087 ( 1.930 0.598 -5.685) 6.034 4.252 ( -4.710 3.301 0.134) 5.753 4.431 ( -2.380 -4.267 0.053) 4.886 4.802 ( 5.288 -5.945 -7.508) 10.939 4.859 ( -4.898 -7.579 3.047) 9.524 5.106 ( -7.144 -1.061 -5.230) 8.917 5.396 ( -7.049 -6.294 4.627) 10.522 5.536 ( -4.812 -15.009 -3.285) 16.100 5.661 ( -5.871 -0.882 -6.175) 8.566 5.816 ( -7.912 -6.314 -6.573) 12.069 5.889 ( -8.946 -9.027 -0.579) 12.722 5.943 ( -3.487 -9.609 2.581) 10.543 6.106 ( -16.187 -3.783 -1.572) 16.698 6.207 ( -18.135 2.044 -3.612) 18.604 6.416 ( -12.885 -2.576 1.586) 13.235 6.478 ( -8.460 -7.697 2.180) 11.643 6.630 ( -23.067 10.168 5.387) 25.778 6.686 ( -10.151 -5.461 0.044) 11.526 6.774 ( -9.087 -4.002 -1.399) 10.027 6.841 ( -5.481 -0.034 -4.101) 6.846 7.122 ( -9.847 -0.265 2.695) 10.213 7.380 ( -5.971 6.782 0.257) 9.039 7.536 ( -1.928 0.588 6.863) 7.153 7.650 ( -4.270 0.014 -2.879) 5.150 7.794 ( -8.770 -0.433 -3.698) 9.528 8.004 ( 2.037 1.469 1.662) 3.012 8.142 ( -1.027 7.036 4.868) 8.617 8.748 ( 12.450 1.292 -0.464) 12.525 8.938 ( 11.458 3.850 0.928) 12.123 9.731 ( 8.446 2.268 -0.241) 8.748 9.931 ( 8.894 5.113 2.234) 10.499 10.188 ( 1.193 0.098 -2.389) 2.673 10.536 ( 2.175 2.255 2.708) 4.141 10.589 ( 3.755 8.132 -5.112) 10.313 10.750 ( -1.137 -4.636 1.565) 5.024 11.026 ( -1.334 5.537 -6.197) 8.417 11.176 ( 10.865 -7.782 6.957) 15.067 11.403 ( 0.419 5.457 5.676) 7.885 11.452 ( -0.449 6.249 -2.667) 6.809 11.828 ( -2.080 2.908 -6.711) 7.604 11.895 ( 6.655 -9.628 3.578) 12.239 14.043 ( 2.592 -1.819 3.397) 4.644 14.270 ( 1.489 -1.588 -5.277) 5.709 14.449 ( -2.966 -0.263 1.708) 3.433 14.602 ( -0.993 3.597 3.589) 5.177 14.738 ( -2.149 4.762 -0.849) 5.293 14.880 ( 2.471 -0.699 -2.204) 3.384 15.085 ( -5.474 1.520 -2.830) 6.347 15.264 ( 4.968 1.996 5.949) 8.003 15.362 ( -5.294 -7.629 -1.801) 9.459 15.524 ( 0.381 -4.218 4.468) 6.156 15.844 ( -3.737 -0.766 -6.925) 7.906 15.949 ( 0.476 1.103 -0.196) 1.218 25.044 ( -1.072 1.284 -0.229) 1.688 25.197 ( 0.600 -1.646 -0.388) 1.794 25.298 ( 2.699 2.197 0.746) 3.559 25.303 ( 2.176 0.263 0.650) 2.286 25.528 ( -4.081 -0.812 -1.231) 4.340 25.855 ( -0.090 -6.173 2.091) 6.519 25.899 ( 3.312 -7.200 -1.625) 8.090 26.027 ( 7.717 -1.801 0.262) 7.929 26.783 ( -11.184 5.208 1.455) 12.422 27.069 ( -5.612 0.485 -2.790) 6.286 28.027 ( -15.965 0.782 5.524) 16.912 28.504 ( -6.999 -1.613 -9.302) 11.752 29.169 ( 2.363 -0.888 2.593) 3.619 29.195 ( 2.555 1.012 3.813) 4.700 29.398 ( 8.356 -0.246 6.134) 10.368 29.781 ( 15.852 5.681 -7.001) 18.237 ======================= Grid point 208 (91/138) ======================= q-point: (-0.18 -0.45 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( 10.601 -3.592 3.644) 11.771 1.459 ( 10.591 -5.736 -1.962) 12.203 2.495 ( -10.822 -0.554 11.837) 16.047 2.590 ( -13.132 -9.449 12.402) 20.385 2.864 ( -5.063 -4.464 2.316) 7.136 2.912 ( -9.575 -3.042 -6.965) 12.224 2.995 ( -3.953 -2.374 -3.013) 5.508 3.045 ( -5.245 -4.238 -1.151) 6.841 3.213 ( 2.737 0.536 2.745) 3.913 3.403 ( -3.762 -3.925 0.528) 5.463 3.524 ( 1.382 1.836 -2.686) 3.535 3.563 ( -1.618 0.380 7.608) 7.787 3.621 ( -1.393 -1.892 3.748) 4.424 3.854 ( -0.876 0.847 -1.105) 1.645 3.889 ( -3.635 3.870 -4.328) 6.850 4.041 ( -1.893 2.346 -2.818) 4.127 4.207 ( 1.173 0.433 -0.185) 1.264 4.446 ( -8.220 -0.452 6.271) 10.349 4.833 ( -7.372 -0.959 -7.369) 10.467 4.947 ( 5.244 -5.214 -10.009) 12.445 5.124 ( -3.766 -5.005 -5.569) 8.382 5.332 ( -17.910 9.146 1.606) 20.174 5.467 ( -18.250 -1.818 3.839) 18.737 5.577 ( -12.465 1.017 -6.342) 14.022 5.738 ( -8.567 -2.132 -2.647) 9.216 5.866 ( -9.547 0.605 -2.701) 9.940 5.983 ( -23.109 10.808 2.677) 25.652 6.077 ( -9.785 -10.184 -5.846) 15.286 6.198 ( -8.835 -11.240 4.957) 15.132 6.290 ( -4.565 -14.715 1.207) 15.454 6.539 ( -2.066 -15.227 5.726) 16.399 6.657 ( -1.798 -15.933 1.779) 16.133 6.762 ( -7.795 -13.442 3.947) 16.032 6.821 ( -8.035 -9.580 -3.235) 12.915 6.887 ( 0.386 -4.113 -2.752) 4.963 7.077 ( -1.771 -2.289 -6.263) 6.899 7.271 ( -7.525 -1.106 2.169) 7.909 7.486 ( -5.218 0.805 3.155) 6.150 7.595 ( -3.451 4.227 0.913) 5.533 7.749 ( -1.790 -1.907 -0.284) 2.631 8.014 ( -3.833 -2.844 2.500) 5.388 8.122 ( 6.208 -2.204 0.558) 6.612 8.845 ( 16.616 4.397 0.029) 17.188 8.939 ( 7.767 6.231 -0.424) 9.967 9.768 ( 7.945 3.347 2.198) 8.897 9.896 ( 5.031 5.301 0.420) 7.320 10.198 ( -1.505 0.228 -1.591) 2.202 10.436 ( 0.869 10.037 -0.453) 10.085 10.524 ( 3.829 6.070 -0.084) 7.177 10.704 ( -6.500 9.413 -5.562) 12.719 10.867 ( -1.033 5.103 3.410) 6.224 11.169 ( 0.505 11.180 5.507) 12.473 11.387 ( 1.495 -0.770 2.356) 2.895 11.475 ( 7.318 -1.189 -0.305) 7.421 11.801 ( -2.460 -5.110 -7.670) 9.539 12.188 ( 10.623 -12.118 2.826) 16.361 14.060 ( -0.358 1.014 1.709) 2.019 14.296 ( -0.214 -0.280 -0.179) 0.396 14.454 ( -0.620 -0.693 -1.360) 1.648 14.550 ( -1.258 0.094 1.402) 1.886 14.669 ( -0.030 1.297 -0.485) 1.385 14.917 ( 1.977 -0.939 -2.849) 3.592 15.006 ( -5.343 0.530 -1.086) 5.478 15.273 ( 4.575 2.930 6.233) 8.268 15.415 ( -5.677 -4.373 -1.770) 7.381 15.536 ( -3.785 0.052 4.280) 5.714 15.848 ( 0.164 -0.211 -6.328) 6.334 15.973 ( 1.745 -3.500 -0.780) 3.988 25.021 ( -0.208 0.718 -0.133) 0.759 25.209 ( -0.134 0.323 -0.587) 0.683 25.281 ( 0.996 1.698 1.501) 2.476 25.334 ( 3.949 0.072 -0.156) 3.953 25.470 ( -4.897 1.972 -0.963) 5.366 25.916 ( -0.438 -3.755 0.540) 3.819 26.062 ( 3.377 -5.686 0.053) 6.613 26.210 ( 11.188 -7.831 0.196) 13.658 26.587 ( -11.349 4.037 0.739) 12.068 27.017 ( -5.179 -0.576 -1.780) 5.506 27.800 ( -18.402 5.385 2.127) 19.291 28.501 ( -6.940 -5.526 -4.832) 10.102 29.197 ( 2.731 0.416 3.442) 4.413 29.229 ( 3.062 -1.333 3.222) 4.641 29.474 ( 9.515 1.980 2.979) 10.165 29.827 ( 13.194 5.284 -5.655) 15.297 ======================= Grid point 209 (92/138) ======================= q-point: (-0.09 -0.45 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( 8.618 -6.691 2.836) 11.273 1.613 ( 6.873 -1.742 -1.287) 7.207 2.409 ( -9.615 -1.845 12.023) 15.505 2.651 ( -7.655 -8.977 14.595) 18.767 2.762 ( -11.842 5.866 -1.727) 13.327 2.894 ( -2.128 -2.889 -0.950) 3.712 2.942 ( -7.287 -1.178 -6.888) 10.096 3.123 ( -2.462 -7.226 0.087) 7.635 3.280 ( 4.312 -2.013 2.502) 5.376 3.388 ( -4.174 0.487 -0.635) 4.250 3.467 ( -4.411 2.796 -0.092) 5.224 3.514 ( -5.998 1.643 4.546) 7.704 3.641 ( 2.991 -1.547 -1.508) 3.690 3.783 ( 1.427 3.903 -2.926) 5.082 3.891 ( -1.128 -2.758 -1.130) 3.187 4.000 ( -0.650 1.428 -2.699) 3.121 4.253 ( 3.276 -1.653 4.378) 5.712 4.310 ( -6.783 3.872 7.002) 10.489 4.803 ( -4.577 -1.743 -10.082) 11.209 4.948 ( -16.260 7.909 1.398) 18.135 5.055 ( 2.952 -2.366 -9.305) 10.045 5.187 ( -5.897 -4.679 -3.131) 8.153 5.315 ( -10.984 1.995 0.324) 11.169 5.436 ( -9.039 2.141 -7.951) 12.227 5.517 ( -17.104 7.438 2.132) 18.773 5.707 ( -5.418 2.197 -7.230) 9.298 5.900 ( -1.553 -7.239 7.281) 10.384 6.199 ( -4.742 -9.396 -5.739) 11.988 6.370 ( -4.713 -12.472 7.620) 15.357 6.468 ( -3.733 -12.771 4.431) 14.024 6.666 ( 3.720 2.468 0.438) 4.486 6.811 ( -3.676 -4.318 5.007) 7.565 6.897 ( -5.070 -11.168 6.001) 13.655 6.958 ( -1.775 -12.140 -9.690) 15.634 7.045 ( -3.408 -7.989 -5.732) 10.406 7.204 ( -3.124 -10.338 -0.010) 10.799 7.269 ( -4.102 -8.279 -0.747) 9.269 7.459 ( -4.764 -5.812 -1.423) 7.649 7.488 ( -3.833 1.902 2.374) 4.893 7.787 ( -0.741 -4.136 1.207) 4.372 8.043 ( -10.988 -9.530 2.475) 14.754 8.272 ( 7.624 -4.753 0.720) 9.013 8.860 ( 6.315 6.608 -1.208) 9.219 8.943 ( 14.015 6.403 1.030) 15.442 9.771 ( 6.282 4.117 2.455) 7.902 9.879 ( 6.589 3.620 -0.031) 7.518 10.116 ( -6.497 5.328 1.165) 8.483 10.269 ( 1.562 10.632 -1.004) 10.793 10.354 ( -4.968 11.776 -3.854) 13.350 10.502 ( 6.828 10.580 -1.075) 12.638 10.820 ( -1.493 2.073 7.011) 7.462 11.029 ( -0.525 3.486 -1.869) 3.990 11.387 ( 0.988 2.401 1.191) 2.857 11.516 ( 1.411 0.001 -4.064) 4.302 11.929 ( 1.317 -8.180 0.435) 8.297 12.448 ( 8.197 -6.894 0.915) 10.750 14.007 ( -1.955 3.437 3.387) 5.206 14.289 ( -1.690 -0.491 0.867) 1.962 14.433 ( -2.578 -0.395 -5.845) 6.400 14.578 ( -0.453 -2.221 -1.791) 2.889 14.700 ( 2.561 -2.836 2.702) 4.680 14.905 ( -2.925 0.263 0.810) 3.047 15.033 ( 4.584 -2.978 -0.417) 5.483 15.246 ( 2.918 4.730 3.268) 6.447 15.368 ( -6.955 1.921 0.136) 7.217 15.521 ( -3.418 -2.766 1.424) 4.622 15.841 ( 0.338 0.670 -3.713) 3.788 16.060 ( 1.765 -3.350 -2.001) 4.283 25.015 ( 0.639 0.273 0.191) 0.721 25.194 ( -0.270 0.983 -0.924) 1.376 25.262 ( 1.114 1.778 1.018) 2.332 25.357 ( 0.408 0.537 -0.346) 0.758 25.400 ( -1.454 1.383 0.082) 2.008 25.971 ( -0.272 -2.939 -0.128) 2.955 26.149 ( 3.475 -0.252 0.109) 3.486 26.384 ( -4.732 -4.819 0.842) 6.806 26.519 ( 6.003 -2.823 0.026) 6.633 26.989 ( -4.452 -1.683 -1.596) 5.020 27.544 ( -14.559 4.647 1.847) 15.394 28.534 ( -6.332 -5.852 -2.888) 9.093 29.215 ( 2.432 0.609 4.479) 5.133 29.278 ( 2.045 -1.233 2.555) 3.497 29.508 ( 8.131 4.256 -1.539) 9.306 29.857 ( 8.172 3.613 -3.076) 9.450 ======================= Grid point 217 (93/138) ======================= q-point: (-0.36 -0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( 9.989 -0.000 -7.841) 12.699 1.294 ( 19.926 -0.000 11.911) 23.215 2.447 ( -20.509 0.000 5.556) 21.248 2.464 ( -22.565 0.000 6.321) 23.433 2.644 ( -1.003 0.000 14.749) 14.784 2.745 ( -9.709 0.000 -5.263) 11.043 2.928 ( -14.154 0.000 -3.916) 14.686 3.075 ( -6.928 0.000 1.381) 7.064 3.191 ( 1.697 -0.000 -0.923) 1.932 3.255 ( -0.205 0.000 4.127) 4.132 3.300 ( 4.095 -0.000 0.319) 4.107 3.622 ( 7.185 -0.000 0.717) 7.221 3.643 ( 6.558 -0.000 -3.068) 7.240 3.854 ( -4.392 0.000 -4.719) 6.447 3.928 ( 2.965 -0.000 3.935) 4.927 4.052 ( 6.791 -0.000 -6.044) 9.092 4.334 ( -8.299 0.000 -0.884) 8.346 4.445 ( -0.877 0.000 8.466) 8.511 4.613 ( -1.324 0.000 -18.418) 18.466 4.633 ( 2.457 -0.000 13.294) 13.519 5.101 ( -5.322 0.000 -1.104) 5.435 5.133 ( -7.242 0.000 -7.915) 10.728 5.264 ( -1.627 0.000 6.481) 6.682 5.534 ( -7.204 0.000 3.465) 7.994 5.627 ( -11.200 0.000 -4.554) 12.090 5.765 ( -5.119 0.000 -8.666) 10.065 5.930 ( -7.833 0.000 -10.740) 13.293 6.199 ( -5.239 0.000 -3.218) 6.148 6.214 ( -19.116 0.000 0.635) 19.127 6.348 ( -9.631 0.000 5.633) 11.157 6.424 ( -10.079 0.000 -0.769) 10.108 6.459 ( -15.653 0.000 -0.106) 15.653 6.729 ( -5.642 0.000 -3.611) 6.699 6.743 ( -21.979 0.000 1.289) 22.017 6.980 ( -20.369 0.000 -0.212) 20.370 7.250 ( -24.455 0.000 3.450) 24.697 7.417 ( -17.331 0.000 8.291) 19.212 7.627 ( -17.292 0.000 -5.596) 18.175 7.633 ( -11.648 0.000 2.099) 11.836 7.664 ( -3.315 0.000 -5.340) 6.286 7.983 ( -0.075 0.000 3.860) 3.861 8.410 ( -4.289 0.000 11.463) 12.240 8.776 ( 13.553 -0.000 -3.126) 13.909 8.921 ( 12.070 -0.000 0.785) 12.096 9.805 ( 9.918 -0.000 0.511) 9.931 10.038 ( 20.160 -0.000 0.029) 20.160 10.332 ( 1.420 -0.000 -2.473) 2.852 10.512 ( 5.816 -0.000 0.376) 5.828 10.685 ( 9.958 -0.000 3.108) 10.432 10.782 ( 6.867 -0.000 -0.389) 6.878 10.814 ( 6.184 -0.000 -4.077) 7.407 11.082 ( 1.546 -0.000 -6.020) 6.216 11.481 ( 2.170 -0.000 3.140) 3.816 11.488 ( -0.701 0.000 -2.162) 2.273 11.890 ( 9.589 -0.000 18.685) 21.002 11.932 ( -10.079 0.000 -12.371) 15.957 13.987 ( 6.270 -0.000 5.238) 8.170 14.230 ( -0.364 0.000 -11.468) 11.474 14.459 ( -4.203 0.000 4.012) 5.810 14.713 ( -1.260 0.000 1.608) 2.042 14.851 ( 2.745 -0.000 4.295) 5.097 14.853 ( -4.773 0.000 0.973) 4.871 15.134 ( -3.722 0.000 -2.086) 4.267 15.179 ( -2.593 0.000 -7.028) 7.491 15.304 ( 2.019 -0.000 8.391) 8.631 15.387 ( 2.277 -0.000 -0.432) 2.318 15.847 ( -5.962 0.000 -6.032) 8.481 15.971 ( -1.142 0.000 0.394) 1.208 25.090 ( -0.171 0.000 0.070) 0.185 25.143 ( 0.888 -0.000 -0.901) 1.265 25.300 ( 1.601 -0.000 1.086) 1.935 25.346 ( 2.000 -0.000 0.011) 2.000 25.520 ( 1.284 -0.000 -1.053) 1.661 25.614 ( -1.269 0.000 2.293) 2.621 25.848 ( 3.870 -0.000 -2.001) 4.356 26.007 ( 1.702 -0.000 0.588) 1.801 26.895 ( -8.530 0.000 2.865) 8.999 27.068 ( -10.172 0.000 -4.989) 11.330 27.990 ( -12.805 0.000 11.392) 17.139 28.512 ( -10.012 0.000 -17.613) 20.260 29.164 ( 4.037 -0.000 1.998) 4.505 29.214 ( -0.588 0.000 -3.705) 3.751 29.384 ( 10.503 -0.000 19.204) 21.888 29.907 ( 18.479 -0.000 -8.320) 20.266 ======================= Grid point 218 (94/138) ======================= q-point: (-0.27 -0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( 11.527 -4.598 -6.650) 14.079 1.432 ( 16.009 4.574 10.137) 19.493 2.290 ( -22.580 -6.248 11.480) 26.090 2.355 ( -18.232 -9.885 5.092) 21.355 2.631 ( -4.339 -2.480 10.539) 11.664 2.706 ( -7.769 -5.249 -3.027) 9.852 2.827 ( -14.017 -4.537 -6.627) 16.155 3.055 ( -6.248 -3.669 1.289) 7.359 3.176 ( -0.199 0.329 1.600) 1.645 3.260 ( 1.552 -0.141 3.918) 4.217 3.409 ( 2.515 -6.376 0.379) 6.865 3.644 ( 3.918 2.837 -0.092) 4.838 3.670 ( 1.780 2.780 -0.017) 3.301 3.833 ( -3.426 -0.877 -2.789) 4.504 3.964 ( -1.383 -1.232 3.316) 3.799 4.118 ( 4.414 -0.772 -7.056) 8.358 4.226 ( -8.276 1.240 -2.186) 8.649 4.385 ( -4.702 2.471 4.727) 7.111 4.636 ( -3.957 -6.845 -10.501) 13.144 4.764 ( 2.860 -8.842 5.078) 10.590 5.002 ( -11.661 0.438 -6.266) 13.245 5.192 ( -9.328 -12.804 -2.940) 16.112 5.261 ( -7.798 -2.849 4.215) 9.311 5.510 ( -8.525 -9.030 -2.565) 12.681 5.587 ( -8.869 -8.715 1.141) 12.486 5.708 ( -7.225 0.395 -6.940) 10.026 5.847 ( -14.110 -2.647 -5.479) 15.366 5.948 ( -14.729 7.240 -1.017) 16.443 6.104 ( -19.900 5.498 -4.069) 21.043 6.235 ( -17.024 -2.503 2.991) 17.465 6.292 ( -12.453 -2.568 1.271) 12.778 6.387 ( -16.380 -8.229 0.329) 18.333 6.510 ( -16.702 -1.811 1.753) 16.891 6.751 ( -4.423 -1.077 -6.512) 7.946 6.778 ( -23.156 10.106 2.752) 25.415 6.892 ( -14.130 -6.142 -2.301) 15.578 7.382 ( -19.405 -6.410 5.477) 21.157 7.429 ( -10.051 1.348 5.668) 11.617 7.577 ( -12.193 -4.091 2.191) 13.046 7.618 ( -2.282 0.698 -5.836) 6.305 8.020 ( 3.474 -0.180 2.019) 4.022 8.282 ( -1.856 8.974 8.644) 12.598 8.900 ( 14.532 0.626 -3.334) 14.923 9.068 ( 11.050 -1.696 2.294) 11.412 9.881 ( 11.232 2.701 2.070) 11.736 10.172 ( 15.291 8.218 1.400) 17.416 10.242 ( 0.510 4.607 -6.763) 8.198 10.587 ( 2.960 -0.668 3.711) 4.794 10.732 ( 5.798 1.178 -2.655) 6.485 10.799 ( 9.410 7.989 -2.478) 12.590 11.058 ( 9.165 -11.377 -1.583) 14.695 11.093 ( 2.544 -2.132 0.003) 3.319 11.418 ( -2.789 2.639 -0.988) 3.965 11.613 ( 6.188 -1.739 3.604) 7.369 11.782 ( -4.418 0.313 -3.856) 5.873 11.924 ( 3.793 6.760 7.095) 10.508 14.060 ( 5.417 -0.841 3.081) 6.288 14.245 ( 0.521 -2.334 -9.224) 9.529 14.415 ( -3.683 0.542 2.358) 4.407 14.664 ( -0.677 3.705 3.439) 5.100 14.779 ( -3.802 2.799 0.228) 4.727 14.889 ( 1.686 -0.866 0.367) 1.931 15.079 ( -4.216 2.661 -3.163) 5.904 15.186 ( -5.072 -5.649 -4.719) 8.939 15.324 ( 2.201 0.184 9.864) 10.109 15.455 ( 2.002 -4.994 2.636) 5.991 15.790 ( -4.846 0.091 -7.099) 8.596 15.953 ( -1.772 0.135 -0.897) 1.991 25.070 ( 0.476 1.894 -0.298) 1.975 25.176 ( 1.427 -1.809 -0.628) 2.388 25.319 ( 1.486 -0.053 1.381) 2.029 25.356 ( 2.619 1.095 0.437) 2.872 25.500 ( -1.217 1.113 -1.489) 2.222 25.704 ( -0.227 -9.593 1.985) 9.799 25.886 ( 3.073 0.380 -2.051) 3.714 26.050 ( 5.192 -2.896 0.906) 6.014 26.759 ( -11.478 4.900 1.881) 12.621 26.975 ( -11.092 -1.891 -3.614) 11.818 27.869 ( -15.968 -0.993 10.725) 19.261 28.395 ( -12.225 -0.056 -18.793) 22.420 29.197 ( 4.045 0.449 0.904) 4.169 29.229 ( 2.939 -0.137 -0.636) 3.010 29.498 ( 12.247 0.197 19.778) 23.263 30.049 ( 19.596 5.004 -9.336) 22.276 ======================= Grid point 219 (95/138) ======================= q-point: (-0.18 -0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( 9.376 -3.561 -2.171) 10.262 1.504 ( 11.198 0.174 4.426) 12.043 2.246 ( -18.907 -12.380 14.119) 26.648 2.344 ( -13.000 -5.015 9.688) 16.971 2.687 ( -7.125 -8.128 2.572) 11.111 2.736 ( -7.050 -6.752 -1.693) 9.907 2.796 ( -12.736 -7.108 -7.542) 16.420 3.035 ( -3.486 0.122 0.210) 3.494 3.227 ( 0.863 -3.349 3.984) 5.275 3.265 ( -2.565 -2.837 2.729) 4.699 3.527 ( -0.197 -4.533 3.166) 5.533 3.589 ( -3.508 4.044 0.400) 5.368 3.623 ( 0.737 1.871 2.982) 3.596 3.812 ( -3.213 -0.900 -0.743) 3.418 3.884 ( -9.118 2.666 -0.151) 9.501 4.096 ( -0.969 4.835 -6.247) 7.959 4.202 ( 0.245 -1.583 -4.894) 5.149 4.349 ( -5.126 -3.109 4.548) 7.525 4.681 ( -11.724 -4.250 -6.990) 14.296 4.834 ( -8.227 -6.593 -8.542) 13.569 5.024 ( 1.458 -7.355 0.806) 7.541 5.196 ( -12.357 -6.299 2.263) 14.053 5.299 ( -19.391 -10.727 -6.275) 23.032 5.364 ( -23.254 12.569 0.332) 26.435 5.650 ( -10.972 -6.789 -5.801) 14.146 5.728 ( -7.388 -11.596 -2.365) 13.951 5.815 ( -15.664 2.283 0.221) 15.831 5.826 ( -12.822 -6.641 -0.202) 14.441 5.898 ( -4.218 -18.129 0.406) 18.617 6.067 ( -19.663 6.844 -0.732) 20.833 6.268 ( -9.688 -10.856 0.411) 14.556 6.329 ( -10.700 -10.624 3.379) 15.453 6.458 ( -9.162 -12.456 3.261) 15.803 6.600 ( -12.359 -6.539 -0.846) 14.008 6.837 ( -1.633 -5.674 -7.713) 9.713 6.925 ( -8.373 -10.176 -2.396) 13.394 7.191 ( -11.888 4.449 2.470) 12.931 7.400 ( -12.321 -4.609 4.642) 13.949 7.535 ( -9.873 -3.556 1.140) 10.556 7.617 ( -4.794 -3.806 1.478) 6.297 7.984 ( -1.609 5.731 5.265) 7.947 8.197 ( 7.211 2.883 1.883) 7.991 9.037 ( 13.861 0.251 -4.457) 14.562 9.144 ( 11.159 5.121 4.549) 13.093 9.930 ( 10.205 4.406 3.392) 11.621 10.071 ( 4.837 8.790 -1.036) 10.086 10.251 ( 6.981 3.516 -3.535) 8.578 10.614 ( 3.694 1.792 3.262) 5.244 10.658 ( 3.793 11.469 -5.528) 13.285 10.793 ( 6.198 2.706 -2.608) 7.248 10.990 ( -1.618 8.709 -0.153) 8.859 11.339 ( 0.030 3.254 6.118) 6.929 11.438 ( 8.190 -12.609 0.407) 15.041 11.479 ( 2.400 13.176 4.807) 14.229 11.756 ( -4.892 6.601 -9.060) 12.231 12.040 ( 8.086 -16.208 3.938) 18.536 14.093 ( 2.567 1.496 0.707) 3.054 14.292 ( 0.387 -0.510 -2.415) 2.498 14.399 ( -2.073 -3.000 -1.125) 3.817 14.590 ( -0.943 4.547 2.837) 5.442 14.697 ( -1.370 2.845 -0.535) 3.202 14.916 ( 1.229 -1.024 -2.896) 3.308 14.980 ( -4.827 2.495 -1.126) 5.549 15.256 ( -5.198 -7.611 -2.567) 9.568 15.338 ( 1.334 0.191 9.398) 9.494 15.531 ( 0.782 0.706 5.313) 5.417 15.789 ( -1.489 -5.493 -9.053) 10.693 15.937 ( -1.591 -0.393 -1.249) 2.060 25.049 ( 1.567 1.699 -0.415) 2.348 25.213 ( 1.516 -0.630 -0.627) 1.757 25.311 ( -0.177 1.472 2.426) 2.844 25.376 ( 3.725 0.348 0.006) 3.741 25.466 ( -2.103 1.490 -2.120) 3.337 25.850 ( -0.422 -4.869 1.376) 5.077 25.941 ( 1.214 -8.250 -0.193) 8.341 26.210 ( 10.026 -5.703 0.217) 11.536 26.547 ( -12.140 4.868 0.552) 13.091 26.914 ( -10.031 -2.813 -1.960) 10.601 27.687 ( -19.160 2.753 6.241) 20.338 28.313 ( -12.047 -5.156 -14.180) 19.308 29.237 ( 4.551 0.017 0.925) 4.644 29.258 ( 3.838 0.708 2.729) 4.762 29.607 ( 12.273 1.551 15.355) 19.718 30.111 ( 18.331 9.284 -9.112) 22.478 ======================= Grid point 220 (96/138) ======================= q-point: (-0.09 -0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( 7.502 -3.639 1.452) 8.463 1.641 ( 7.431 -3.264 -0.052) 8.116 2.275 ( -11.549 -2.978 9.683) 15.363 2.345 ( -11.522 -14.774 18.756) 26.510 2.679 ( -13.962 -1.143 -1.666) 14.108 2.725 ( -7.604 -5.516 -9.193) 13.144 2.835 ( -10.181 -6.554 -3.214) 12.527 3.026 ( -0.573 -3.094 3.720) 4.872 3.241 ( -3.501 -1.727 2.062) 4.415 3.340 ( 1.006 -3.668 1.085) 3.955 3.440 ( -8.146 3.071 3.554) 9.403 3.544 ( -0.933 2.499 3.536) 4.429 3.659 ( 2.161 -1.162 -0.211) 2.463 3.765 ( -8.150 -2.745 0.545) 8.617 3.852 ( 1.781 -2.809 0.127) 3.329 4.021 ( -0.047 2.147 -4.578) 5.057 4.233 ( -2.096 -0.766 -1.186) 2.527 4.304 ( -2.471 0.157 4.111) 4.799 4.660 ( -9.678 -7.013 -10.767) 16.086 4.849 ( -17.075 -3.173 -3.056) 17.634 4.981 ( -12.393 1.600 -5.369) 13.601 5.112 ( -0.159 -1.315 -0.870) 1.585 5.197 ( -8.387 -4.441 1.379) 9.590 5.286 ( -12.521 -6.888 -6.607) 15.744 5.488 ( -16.609 7.778 1.685) 18.417 5.650 ( -7.315 -3.543 -3.406) 8.813 5.777 ( -6.741 -3.843 -4.087) 8.770 5.928 ( -7.238 -14.416 -5.356) 16.997 6.016 ( -11.661 -16.999 6.765) 21.696 6.221 ( -2.190 -14.047 2.874) 14.505 6.466 ( -7.656 -19.077 6.260) 21.488 6.563 ( -8.024 -26.842 -2.272) 28.108 6.613 ( -12.932 -11.230 3.228) 17.429 6.648 ( -3.127 -15.002 1.693) 15.418 6.912 ( -1.610 -6.635 -5.282) 8.632 7.005 ( -5.015 -3.582 -10.343) 12.040 7.072 ( -7.959 -4.854 3.602) 9.994 7.348 ( -9.067 -2.598 0.429) 9.441 7.486 ( -7.227 0.016 1.286) 7.341 7.628 ( -12.685 -7.798 3.393) 15.272 7.875 ( -1.463 4.531 6.075) 7.718 8.268 ( 6.122 -1.948 -0.124) 6.426 9.052 ( 4.239 7.487 -0.471) 8.617 9.209 ( 19.198 5.916 1.786) 20.168 9.922 ( 6.630 5.807 3.013) 9.315 10.003 ( 2.954 4.628 -1.956) 5.828 10.237 ( 8.892 7.915 0.113) 11.905 10.496 ( 3.813 11.007 -5.868) 13.044 10.526 ( 0.403 11.921 1.999) 12.094 10.742 ( 4.673 8.275 -0.720) 9.531 10.922 ( 9.910 3.589 1.394) 10.632 11.127 ( -4.893 13.530 5.380) 15.361 11.392 ( -0.673 -0.638 2.604) 2.765 11.570 ( -0.248 4.420 -11.227) 12.068 11.773 ( 1.055 -11.412 1.939) 11.624 12.364 ( 6.902 -11.720 4.311) 14.268 14.063 ( 0.783 3.870 2.000) 4.426 14.269 ( -2.335 0.675 -1.245) 2.731 14.407 ( -3.414 0.598 -4.946) 6.039 14.540 ( -0.305 -0.861 -0.325) 0.970 14.688 ( 1.952 -1.090 1.642) 2.774 14.894 ( -2.333 1.087 1.619) 3.041 14.999 ( 2.849 -4.613 -1.533) 5.635 15.300 ( -6.029 -2.684 -1.024) 6.678 15.353 ( 2.834 0.865 7.917) 8.453 15.463 ( -2.800 2.769 -0.306) 3.950 15.860 ( 0.993 0.360 -7.128) 7.206 15.971 ( -2.174 -6.705 0.258) 7.054 25.044 ( 2.481 1.280 -0.271) 2.805 25.218 ( 0.995 1.562 -0.494) 1.917 25.293 ( 0.628 0.389 1.810) 1.955 25.381 ( -0.429 2.620 -1.489) 3.044 25.424 ( 1.372 1.366 0.245) 1.951 25.910 ( -0.283 -3.976 0.328) 4.000 26.126 ( 3.064 -9.081 0.164) 9.585 26.259 ( -9.620 1.466 0.695) 9.755 26.524 ( 7.982 -4.839 0.091) 9.335 26.874 ( -9.164 -3.765 -1.496) 10.020 27.452 ( -16.973 2.370 3.152) 17.425 28.323 ( -10.722 -8.652 -9.082) 16.502 29.263 ( 3.571 1.802 3.896) 5.583 29.291 ( 3.296 -0.346 2.234) 3.997 29.676 ( 10.781 4.041 8.769) 14.473 30.093 ( 14.094 11.334 -7.459) 19.564 ======================= Grid point 229 (97/138) ======================= q-point: (-0.27 -0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( 8.762 -0.000 -4.409) 9.808 1.647 ( 15.027 -0.000 8.862) 17.446 2.000 ( -24.495 0.000 15.855) 29.178 2.051 ( -18.769 0.000 3.668) 19.124 2.566 ( -8.378 0.000 -6.132) 10.382 2.577 ( -7.435 0.000 13.133) 15.092 2.635 ( -15.182 0.000 -8.507) 17.403 2.924 ( -8.639 0.000 9.061) 12.519 3.222 ( 1.451 -0.000 -2.410) 2.813 3.283 ( 1.783 -0.000 2.656) 3.199 3.361 ( 1.721 -0.000 1.670) 2.398 3.635 ( -7.301 0.000 -5.541) 9.165 3.700 ( -0.954 0.000 4.184) 4.291 3.871 ( 5.509 -0.000 -4.530) 7.132 3.891 ( -9.606 0.000 4.085) 10.439 4.147 ( 2.956 -0.000 -9.545) 9.993 4.174 ( -2.403 0.000 -2.504) 3.471 4.356 ( -8.348 0.000 8.617) 11.998 4.582 ( -2.352 0.000 -20.474) 20.609 4.608 ( -8.364 0.000 10.072) 13.092 4.923 ( -12.655 0.000 -9.975) 16.114 4.927 ( -15.095 0.000 -0.670) 15.110 5.199 ( -7.972 0.000 8.943) 11.980 5.290 ( -17.036 0.000 -2.665) 17.243 5.369 ( -16.107 0.000 -1.654) 16.191 5.601 ( -15.493 0.000 -3.530) 15.890 5.719 ( -8.411 0.000 -6.788) 10.808 5.916 ( -12.342 0.000 -1.700) 12.458 5.976 ( -12.931 0.000 -2.034) 13.090 6.016 ( -26.443 0.000 3.473) 26.670 6.101 ( -19.986 0.000 -0.859) 20.004 6.163 ( -16.286 0.000 -4.920) 17.013 6.329 ( -11.207 0.000 -1.409) 11.295 6.566 ( -8.850 0.000 12.136) 15.020 6.740 ( -27.752 0.000 -0.872) 27.766 6.786 ( -4.190 0.000 -18.780) 19.242 6.985 ( -21.587 0.000 4.225) 21.997 7.395 ( -6.081 0.000 3.227) 6.884 7.421 ( -12.594 0.000 15.788) 20.196 7.615 ( -1.977 0.000 -3.711) 4.204 8.084 ( 8.513 -0.000 -0.334) 8.520 8.354 ( 0.142 -0.000 10.141) 10.142 9.027 ( 11.244 -0.000 -4.897) 12.264 9.151 ( 11.389 -0.000 2.443) 11.648 10.008 ( 10.404 -0.000 5.560) 11.796 10.281 ( -0.807 0.000 -11.584) 11.612 10.411 ( 11.815 -0.000 0.610) 11.831 10.607 ( 3.252 -0.000 2.826) 4.308 10.826 ( 6.144 -0.000 0.112) 6.145 10.972 ( 9.708 -0.000 -2.285) 9.973 11.018 ( 14.017 -0.000 -0.823) 14.041 11.116 ( 2.011 -0.000 0.233) 2.025 11.483 ( 1.384 -0.000 -2.790) 3.114 11.516 ( 1.149 -0.000 3.370) 3.561 11.745 ( -7.857 0.000 -10.020) 12.733 12.107 ( 11.773 -0.000 15.892) 19.778 14.116 ( 6.771 -0.000 2.075) 7.082 14.215 ( -0.607 0.000 -11.520) 11.536 14.392 ( -2.956 0.000 2.321) 3.758 14.688 ( -2.344 0.000 4.162) 4.776 14.763 ( -3.329 0.000 -0.080) 3.330 14.866 ( -0.794 0.000 1.587) 1.774 15.084 ( -1.468 0.000 -1.698) 2.244 15.089 ( -6.635 0.000 -7.342) 9.895 15.334 ( 0.048 -0.000 13.497) 13.497 15.417 ( 1.008 -0.000 -0.174) 1.023 15.759 ( -2.605 0.000 -5.944) 6.490 15.930 ( -2.251 0.000 -2.106) 3.082 25.099 ( 1.234 -0.000 -0.144) 1.243 25.176 ( 2.551 -0.000 -0.777) 2.667 25.337 ( 2.076 -0.000 1.456) 2.535 25.383 ( 1.858 -0.000 -0.256) 1.875 25.544 ( 1.029 -0.000 -2.421) 2.630 25.567 ( -3.381 0.000 3.059) 4.559 25.949 ( 5.880 -0.000 -3.721) 6.958 26.043 ( 2.004 -0.000 3.022) 3.626 26.712 ( -10.064 0.000 3.333) 10.601 26.812 ( -15.623 0.000 -4.518) 16.263 27.704 ( -16.723 0.000 13.150) 21.273 28.253 ( -16.532 0.000 -26.646) 31.358 29.254 ( 5.333 -0.000 0.518) 5.358 29.256 ( 4.502 -0.000 -2.128) 4.980 29.638 ( 14.902 -0.000 28.484) 32.147 30.294 ( 21.780 -0.000 -10.615) 24.229 ======================= Grid point 230 (98/138) ======================= q-point: (-0.18 -0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 2.278 -6.106 -0.406) 6.529 1.654 ( 3.602 5.614 2.911) 7.277 1.864 ( -18.771 -8.871 22.756) 30.804 2.077 ( -7.788 -12.574 4.036) 15.331 2.494 ( -10.870 -4.998 0.800) 11.991 2.547 ( -12.816 -6.001 -8.222) 16.367 2.570 ( -7.650 -5.336 2.620) 9.688 2.891 ( -10.699 -5.960 9.854) 15.719 3.204 ( 1.061 1.181 -1.260) 2.027 3.261 ( -2.587 1.820 3.632) 4.816 3.422 ( -5.100 -5.174 -0.117) 7.266 3.560 ( -8.765 1.094 -3.064) 9.349 3.626 ( -6.618 1.337 6.789) 9.575 3.794 ( -3.027 0.958 -2.107) 3.810 3.876 ( -2.246 4.139 -4.303) 6.379 4.151 ( -2.345 2.434 -8.138) 8.812 4.174 ( 0.170 -0.599 -2.036) 2.129 4.265 ( -3.904 -1.043 2.889) 4.968 4.494 ( -11.682 -4.410 -7.032) 14.331 4.651 ( -16.345 0.389 -4.288) 16.902 4.787 ( -11.667 -15.156 -0.988) 19.152 4.905 ( -18.074 -10.000 -4.721) 21.188 5.006 ( -15.192 -1.738 0.563) 15.301 5.301 ( -17.370 -8.895 -0.367) 19.519 5.365 ( -13.171 -15.017 -1.480) 20.029 5.420 ( -18.923 11.323 -1.211) 22.085 5.554 ( -15.012 -7.469 -0.588) 16.778 5.709 ( -8.302 -0.573 -4.577) 9.498 5.804 ( -11.093 6.406 -0.291) 12.814 5.929 ( -13.338 -4.706 -3.876) 14.666 6.025 ( -12.715 -4.153 1.022) 13.415 6.063 ( -13.130 -8.551 -0.540) 15.678 6.255 ( -9.149 -2.118 -0.474) 9.403 6.388 ( -18.203 1.413 0.248) 18.260 6.601 ( -10.014 -9.900 7.692) 16.046 6.756 ( -7.276 -4.677 -18.796) 20.691 6.986 ( -13.492 -12.408 0.565) 18.339 7.243 ( -10.546 3.470 12.595) 16.790 7.410 ( -4.546 -3.337 9.146) 10.745 7.584 ( -2.007 1.174 -0.715) 2.433 8.124 ( 7.245 5.922 1.535) 9.483 8.333 ( 6.978 4.398 4.952) 9.621 9.124 ( 6.542 -0.688 -4.997) 8.261 9.287 ( 13.393 -2.057 4.962) 14.430 10.081 ( 8.410 2.669 6.093) 10.723 10.200 ( -3.095 5.586 -8.029) 10.259 10.458 ( 12.947 5.983 -2.270) 14.441 10.648 ( 3.616 -0.990 0.423) 3.773 10.831 ( 4.145 2.828 -3.404) 6.063 10.966 ( 6.267 10.897 -0.074) 12.570 11.103 ( 2.236 4.807 2.840) 6.014 11.259 ( 3.492 -12.019 -0.123) 12.517 11.382 ( 3.363 2.133 0.253) 3.991 11.645 ( -3.297 4.498 -5.526) 7.851 11.814 ( 9.370 -18.530 3.748) 21.100 12.014 ( 3.831 20.651 5.117) 21.618 14.153 ( 3.908 1.733 -0.931) 4.376 14.269 ( 2.344 -4.001 -5.781) 7.411 14.352 ( -3.013 0.708 1.246) 3.337 14.641 ( -2.165 2.122 4.943) 5.799 14.724 ( -1.880 1.961 -1.810) 3.264 14.898 ( -0.371 -2.779 -1.160) 3.034 14.985 ( -5.105 3.280 -2.141) 6.434 15.101 ( -2.679 -4.223 -3.501) 6.105 15.319 ( -2.899 -0.395 11.185) 11.562 15.511 ( 3.043 -7.400 5.971) 9.983 15.718 ( -2.352 1.605 -8.414) 8.883 15.920 ( -0.819 -0.300 -3.286) 3.400 25.099 ( 2.514 1.611 -0.391) 3.011 25.218 ( 2.944 -1.227 -0.521) 3.232 25.339 ( 0.520 1.973 2.392) 3.144 25.408 ( 2.670 -0.515 0.357) 2.743 25.476 ( -1.147 1.713 -2.599) 3.317 25.692 ( -1.192 -10.821 0.918) 10.925 25.922 ( 0.452 3.897 -0.242) 3.931 26.183 ( 7.995 -8.568 0.595) 11.734 26.521 ( -12.493 6.371 0.556) 14.035 26.737 ( -12.443 -5.053 -0.940) 13.463 27.532 ( -19.248 1.187 10.890) 22.147 28.095 ( -18.408 -3.428 -27.804) 33.521 29.293 ( 5.726 0.777 0.039) 5.778 29.313 ( 5.318 0.298 0.339) 5.337 29.778 ( 16.164 2.187 29.264) 33.503 30.447 ( 21.566 7.036 -10.572) 25.028 ======================= Grid point 231 (99/138) ======================= q-point: (-0.09 -0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( -0.510 -6.798 4.000) 7.904 1.650 ( 1.370 -2.616 -0.021) 2.953 1.946 ( -9.381 -15.843 22.477) 29.055 2.143 ( -7.245 -3.548 5.970) 10.036 2.472 ( -15.603 -6.185 -7.648) 18.445 2.572 ( -7.712 -4.458 -6.854) 11.240 2.608 ( -7.562 -9.131 2.570) 12.131 2.908 ( -8.876 -8.361 9.047) 15.183 3.178 ( -6.673 -1.645 4.911) 8.447 3.294 ( 4.398 -4.845 -0.608) 6.571 3.305 ( -24.103 -2.600 1.321) 24.279 3.512 ( -2.036 -1.671 3.424) 4.319 3.592 ( -1.354 -0.526 2.953) 3.291 3.748 ( -3.861 4.984 -1.550) 6.492 3.807 ( 0.854 -3.529 -0.598) 3.680 4.058 ( -3.392 2.970 -6.758) 8.124 4.187 ( -2.685 -1.840 -4.010) 5.165 4.269 ( -4.179 -0.253 3.163) 5.247 4.432 ( -9.757 -7.010 -14.707) 18.990 4.577 ( -15.126 -8.335 -4.464) 17.838 4.895 ( -17.807 2.777 0.916) 18.045 4.930 ( -14.632 -10.984 -1.085) 18.328 4.981 ( -9.998 -14.800 -2.555) 18.042 5.085 ( -4.809 -5.094 -2.520) 7.445 5.349 ( -21.365 -10.740 -1.172) 23.941 5.466 ( -18.997 -3.414 -4.282) 19.770 5.491 ( -12.609 -4.731 -1.357) 13.536 5.614 ( -7.302 -13.223 0.133) 15.106 5.815 ( -5.198 -3.732 0.680) 6.435 5.975 ( 3.457 -13.218 -2.527) 13.894 6.083 ( -7.525 -16.996 -1.172) 18.624 6.131 ( -11.648 -10.616 5.614) 16.730 6.266 ( -11.720 -12.547 3.142) 17.454 6.376 ( -4.981 -11.164 0.144) 12.225 6.616 ( -19.517 -10.929 -5.989) 23.156 6.852 ( -1.651 -9.955 -5.892) 11.685 7.050 ( -4.874 -4.769 -6.030) 9.103 7.114 ( -13.214 -1.805 8.157) 15.633 7.406 ( -3.375 -0.081 6.657) 7.464 7.533 ( -3.636 2.005 3.488) 5.422 8.047 ( 7.096 10.198 4.441) 13.194 8.345 ( 6.767 3.582 1.546) 7.811 9.162 ( 3.134 1.374 -0.895) 3.536 9.460 ( 17.969 1.326 3.945) 18.445 10.067 ( 1.508 5.346 -0.130) 5.556 10.095 ( 2.393 4.698 -1.005) 5.367 10.474 ( 8.855 6.588 -1.476) 11.135 10.667 ( 8.065 5.309 -4.785) 10.776 10.791 ( 6.106 13.689 2.238) 15.155 10.868 ( 3.744 1.269 -2.008) 4.434 11.032 ( 5.257 3.497 1.590) 6.511 11.277 ( -4.582 1.816 6.079) 7.826 11.498 ( 0.451 14.450 4.239) 15.065 11.591 ( -0.411 -8.971 0.877) 9.023 11.650 ( -1.307 9.635 -15.848) 18.593 12.203 ( 7.270 -15.290 8.238) 18.828 14.145 ( 2.630 3.497 0.877) 4.463 14.268 ( -2.133 1.872 -1.670) 3.294 14.371 ( -0.973 -2.178 -4.379) 4.987 14.567 ( -0.920 4.104 1.696) 4.535 14.695 ( 1.014 -0.278 0.147) 1.062 14.894 ( -2.560 1.733 1.684) 3.520 14.954 ( 1.973 -2.993 -2.440) 4.336 15.172 ( -3.528 -6.158 -1.805) 7.323 15.311 ( -3.406 -2.520 8.132) 9.169 15.568 ( 2.496 6.228 2.984) 7.343 15.767 ( -1.957 -10.969 -4.131) 11.883 15.905 ( -0.554 1.530 -4.685) 4.959 25.101 ( 3.654 1.791 -0.539) 4.105 25.262 ( 3.542 0.657 -0.607) 3.653 25.295 ( -1.205 1.013 2.317) 2.802 25.426 ( 0.777 1.979 -1.824) 2.801 25.462 ( 2.274 0.704 0.047) 2.381 25.835 ( -1.330 -5.288 1.139) 5.570 25.935 ( -2.651 -9.437 0.291) 9.806 26.250 ( -7.019 4.993 0.078) 8.614 26.500 ( 9.357 -8.719 -0.144) 12.790 26.705 ( -10.816 -4.233 0.027) 11.615 27.296 ( -21.475 1.330 5.052) 22.101 28.045 ( -14.692 -9.957 -20.373) 27.019 29.333 ( 4.760 0.796 1.249) 4.986 29.338 ( 4.461 2.280 2.738) 5.709 29.868 ( 14.035 5.247 22.305) 26.871 30.463 ( 17.828 13.562 -9.596) 24.369 ======================= Grid point 241 (100/138) ======================= q-point: (-0.18 -0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( -15.664 0.000 8.781) 17.957 1.504 ( -23.388 0.000 17.175) 29.017 1.871 ( 2.262 0.000 -5.131) 5.607 1.871 ( 0.267 0.000 22.521) 22.522 2.296 ( -16.832 0.000 -15.664) 22.993 2.408 ( -12.976 0.000 15.883) 20.509 2.413 ( -8.463 0.000 -6.900) 10.919 2.739 ( -10.193 0.000 11.450) 15.330 3.227 ( -8.792 0.000 2.351) 9.101 3.249 ( -0.068 0.000 -7.454) 7.455 3.259 ( -13.539 0.000 3.494) 13.983 3.523 ( -1.222 0.000 -1.607) 2.019 3.573 ( -3.629 0.000 6.508) 7.451 3.764 ( -5.125 0.000 -2.654) 5.772 3.897 ( -5.216 0.000 -19.367) 20.057 4.101 ( -10.155 0.000 -0.335) 10.160 4.197 ( 0.916 -0.000 2.822) 2.967 4.245 ( 2.315 -0.000 -4.810) 5.338 4.322 ( -16.906 0.000 4.270) 17.437 4.459 ( -21.609 0.000 -6.040) 22.437 4.527 ( -10.033 0.000 -7.413) 12.475 4.617 ( -20.972 0.000 -4.998) 21.560 4.851 ( -22.479 0.000 10.252) 24.706 4.937 ( -18.430 0.000 -7.089) 19.747 5.173 ( -4.106 0.000 -4.101) 5.804 5.318 ( -12.942 0.000 -1.472) 13.025 5.416 ( -21.841 0.000 3.524) 22.123 5.643 ( -22.991 0.000 -15.522) 27.740 5.663 ( -2.845 0.000 -5.617) 6.296 5.785 ( -8.514 0.000 -0.486) 8.528 5.857 ( -11.725 0.000 3.628) 12.274 5.922 ( -0.702 0.000 3.384) 3.456 6.150 ( -12.506 0.000 -1.905) 12.650 6.309 ( -10.791 0.000 -2.569) 11.092 6.334 ( -18.251 0.000 -1.009) 18.279 6.609 ( -7.866 0.000 -13.529) 15.649 6.824 ( 1.397 -0.000 9.189) 9.294 7.136 ( -16.755 0.000 21.799) 27.494 7.398 ( 5.038 -0.000 1.484) 5.252 7.572 ( -2.712 0.000 0.716) 2.805 8.268 ( 9.745 -0.000 -0.750) 9.774 8.452 ( 9.410 -0.000 5.469) 10.884 9.178 ( 4.525 -0.000 -5.586) 7.188 9.361 ( 10.631 -0.000 6.760) 12.599 10.177 ( 5.704 -0.000 7.049) 9.068 10.209 ( -4.375 0.000 -12.435) 13.182 10.601 ( 7.492 -0.000 -3.631) 8.326 10.653 ( 2.260 -0.000 3.031) 3.780 10.908 ( 1.810 -0.000 -3.299) 3.763 11.078 ( 0.148 -0.000 -1.682) 1.688 11.151 ( -1.002 0.000 5.129) 5.226 11.224 ( 8.945 -0.000 3.036) 9.446 11.522 ( -0.592 0.000 3.608) 3.657 11.618 ( 2.024 -0.000 -8.700) 8.933 11.700 ( 14.207 -0.000 1.089) 14.249 12.299 ( 5.776 -0.000 2.190) 6.177 14.216 ( 1.555 -0.000 -7.134) 7.302 14.240 ( 5.867 -0.000 -0.818) 5.924 14.338 ( -2.731 0.000 1.336) 3.040 14.609 ( -5.076 0.000 6.905) 8.571 14.716 ( -3.876 0.000 -4.524) 5.957 14.845 ( -1.104 0.000 -0.112) 1.109 14.978 ( -1.832 0.000 -1.097) 2.135 15.066 ( -0.601 0.000 -0.551) 0.816 15.287 ( -5.305 0.000 12.531) 13.608 15.437 ( 1.355 -0.000 0.499) 1.444 15.738 ( 0.382 -0.000 -4.303) 4.320 15.921 ( 2.028 -0.000 -3.656) 4.181 25.139 ( 2.871 -0.000 -0.090) 2.873 25.239 ( 3.768 -0.000 -0.114) 3.770 25.378 ( 2.235 -0.000 1.665) 2.787 25.421 ( 2.355 -0.000 -0.759) 2.474 25.491 ( -4.477 0.000 1.258) 4.651 25.549 ( -0.633 0.000 -2.556) 2.633 26.036 ( 2.135 -0.000 -4.804) 5.257 26.093 ( 3.402 -0.000 5.841) 6.759 26.504 ( -14.500 0.000 -1.842) 14.616 26.532 ( -8.132 0.000 3.583) 8.886 27.371 ( -17.703 0.000 12.756) 21.820 27.830 ( -27.796 0.000 -40.455) 49.084 29.366 ( 5.947 -0.000 0.357) 5.958 29.367 ( 6.492 -0.000 -1.090) 6.582 29.993 ( 22.093 -0.000 39.980) 45.678 30.725 ( 22.603 -0.000 -9.936) 24.691 ======================= Grid point 242 (101/138) ======================= q-point: (-0.09 -0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( -15.278 -16.018 12.769) 25.554 1.398 ( -19.934 -12.314 18.155) 29.641 1.807 ( -0.148 -3.067 17.987) 18.247 2.024 ( -4.532 -8.060 -4.179) 10.147 2.202 ( -14.686 -6.913 -16.232) 22.956 2.321 ( -14.279 -10.722 14.990) 23.314 2.402 ( -9.988 -6.268 -0.054) 11.792 2.657 ( -9.781 -0.495 7.212) 12.163 3.070 ( -18.832 1.301 -0.544) 18.885 3.112 ( -7.616 3.221 5.935) 10.178 3.295 ( 4.405 -1.656 -5.376) 7.144 3.504 ( -1.963 1.195 2.275) 3.233 3.577 ( -0.378 -0.953 3.969) 4.099 3.726 ( -5.292 -3.879 -2.453) 7.005 3.777 ( -6.490 3.578 -9.898) 12.365 3.986 ( -11.350 -1.649 -9.755) 15.056 4.177 ( -7.684 2.780 -2.389) 8.513 4.202 ( -5.517 0.031 -3.733) 6.661 4.267 ( -10.118 -6.111 -2.728) 12.131 4.330 ( -2.056 -5.008 -3.871) 6.655 4.528 ( -17.590 -14.196 -1.706) 22.669 4.610 ( -8.676 -14.160 -4.287) 17.151 4.698 ( -17.229 -5.786 3.294) 18.471 4.883 ( -21.498 -9.287 -3.024) 23.612 5.034 ( -16.086 6.388 -3.648) 17.689 5.206 ( -15.628 -4.311 -4.718) 16.884 5.320 ( -2.678 -9.725 -2.864) 10.486 5.423 ( -17.085 2.083 -0.694) 17.225 5.672 ( -7.661 -6.019 -3.280) 10.279 5.763 ( -3.171 -10.095 -2.874) 10.965 5.855 ( -5.798 -7.602 1.152) 9.630 5.959 ( 0.239 -2.461 5.327) 5.873 6.052 ( -6.786 -3.473 2.742) 8.101 6.223 ( -5.192 -3.833 -1.749) 6.687 6.245 ( -19.346 -6.455 -11.037) 23.189 6.657 ( -3.087 -9.846 -5.052) 11.489 6.885 ( -4.892 -2.288 6.311) 8.307 7.015 ( -7.866 -3.380 14.035) 16.440 7.439 ( 4.543 2.207 1.053) 5.159 7.540 ( -1.889 0.901 3.407) 3.999 8.291 ( 9.002 7.616 0.436) 11.800 8.509 ( 9.698 6.055 2.999) 11.819 9.179 ( 1.457 -0.308 -0.578) 1.597 9.574 ( 15.324 -7.174 4.964) 17.634 10.121 ( -4.145 3.848 -8.143) 9.915 10.198 ( 2.703 2.243 3.318) 4.832 10.601 ( 2.876 3.843 -3.651) 6.031 10.779 ( 8.505 -5.454 -1.211) 10.176 10.875 ( 1.440 1.684 -2.845) 3.607 11.020 ( 1.050 7.472 2.863) 8.071 11.143 ( -3.282 -0.600 6.996) 7.751 11.281 ( 5.863 4.763 0.424) 7.566 11.476 ( 1.821 -2.994 0.453) 3.534 11.589 ( -2.133 2.397 -5.806) 6.633 12.009 ( 1.224 16.577 -10.824) 19.836 12.045 ( 6.057 -1.417 10.535) 12.235 14.221 ( 2.776 2.478 -0.125) 3.723 14.284 ( -0.334 0.982 -1.657) 1.955 14.335 ( 1.692 -1.723 -1.355) 2.769 14.594 ( -2.310 -0.868 4.579) 5.202 14.672 ( -3.628 -1.398 -3.924) 5.524 14.881 ( -0.840 -3.243 -0.598) 3.403 14.957 ( 2.828 1.972 2.160) 4.068 15.073 ( -0.874 -2.120 -1.233) 2.603 15.243 ( -4.390 -1.053 7.390) 8.659 15.544 ( -0.223 -9.652 4.060) 10.474 15.705 ( 1.522 4.832 -3.076) 5.927 15.941 ( 3.298 1.199 -5.014) 6.120 25.163 ( 3.954 0.870 -0.356) 4.064 25.280 ( 2.633 -0.793 0.704) 2.838 25.347 ( 1.167 4.323 1.326) 4.670 25.449 ( 0.533 0.035 -0.817) 0.976 25.477 ( 3.000 -2.188 -1.877) 4.161 25.645 ( -4.056 -10.390 0.284) 11.157 25.897 ( -3.104 6.135 0.708) 6.911 26.258 ( -4.750 1.509 0.574) 5.017 26.394 ( 3.336 -10.121 -0.562) 10.672 26.547 ( -4.612 -6.157 4.013) 8.676 27.116 ( -25.440 5.875 3.159) 26.300 27.668 ( -24.071 -14.100 -34.704) 44.526 29.405 ( 5.448 1.571 0.429) 5.687 29.418 ( 5.096 1.465 0.905) 5.379 30.160 ( 23.186 8.761 38.882) 46.110 30.848 ( 19.338 9.999 -8.368) 23.323 ======================= Grid point 253 (102/138) ======================= q-point: (-0.09 -0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( -20.754 0.000 22.027) 30.264 1.048 ( -27.461 0.000 23.692) 36.269 1.540 ( -27.699 0.000 48.560) 55.904 1.903 ( -10.026 0.000 -21.605) 23.818 1.976 ( -14.716 0.000 -21.031) 25.669 2.216 ( -6.294 0.000 17.750) 18.833 2.226 ( -3.237 0.000 5.074) 6.019 2.671 ( 3.333 -0.000 2.515) 4.176 2.939 ( -12.239 0.000 -2.564) 12.505 3.139 ( 1.286 -0.000 9.889) 9.972 3.318 ( 5.290 -0.000 -8.847) 10.308 3.475 ( -6.370 0.000 2.706) 6.921 3.550 ( -3.137 0.000 -1.086) 3.320 3.592 ( -11.258 0.000 -1.513) 11.359 3.735 ( -6.688 0.000 -32.051) 32.742 3.862 ( -12.088 0.000 -0.066) 12.088 4.023 ( -9.142 0.000 5.533) 10.686 4.093 ( -9.454 0.000 -7.985) 12.375 4.185 ( -13.666 0.000 1.373) 13.735 4.280 ( -2.080 0.000 1.905) 2.821 4.340 ( 5.009 -0.000 -4.441) 6.694 4.440 ( -3.113 0.000 -3.454) 4.650 4.489 ( -14.724 0.000 7.320) 16.444 4.585 ( -15.905 0.000 -9.929) 18.749 5.018 ( -14.987 0.000 -5.225) 15.872 5.038 ( -23.777 0.000 -20.524) 31.409 5.180 ( -6.671 0.000 2.155) 7.011 5.237 ( -7.015 0.000 -8.558) 11.066 5.514 ( -10.550 0.000 2.255) 10.788 5.677 ( -8.562 0.000 3.065) 9.094 5.717 ( 1.376 -0.000 -4.877) 5.067 5.909 ( -22.953 0.000 -12.779) 26.271 5.951 ( 1.372 -0.000 4.407) 4.615 5.992 ( -0.967 0.000 8.480) 8.535 6.242 ( 0.158 -0.000 -3.829) 3.833 6.528 ( -1.104 0.000 0.273) 1.137 6.831 ( -14.606 0.000 18.474) 23.551 6.946 ( 10.244 -0.000 5.804) 11.774 7.511 ( -3.531 0.000 3.463) 4.946 7.535 ( 8.500 -0.000 -1.892) 8.708 8.434 ( 7.202 -0.000 1.236) 7.308 8.678 ( 11.839 -0.000 1.236) 11.904 9.217 ( 0.923 -0.000 -4.119) 4.221 9.590 ( 12.513 -0.000 8.908) 15.360 10.107 ( -6.813 0.000 -12.601) 14.325 10.197 ( -3.346 0.000 4.523) 5.626 10.705 ( 2.408 -0.000 1.876) 3.052 10.727 ( 6.559 -0.000 -2.407) 6.987 10.928 ( 2.336 -0.000 -0.619) 2.417 11.053 ( -1.443 0.000 0.054) 1.444 11.093 ( -4.556 0.000 4.814) 6.628 11.314 ( -3.392 0.000 -5.941) 6.841 11.509 ( -0.766 0.000 5.045) 5.103 11.601 ( -0.398 0.000 -4.639) 4.656 12.046 ( 13.901 -0.000 6.207) 15.224 12.280 ( -5.182 0.000 -11.938) 13.015 14.276 ( -1.729 0.000 -0.711) 1.870 14.288 ( 5.574 -0.000 1.189) 5.699 14.357 ( 4.652 -0.000 -0.362) 4.666 14.517 ( -4.450 0.000 4.352) 6.224 14.605 ( -5.305 0.000 -2.285) 5.776 14.822 ( -1.501 0.000 -1.629) 2.215 15.049 ( 7.019 -0.000 2.729) 7.531 15.053 ( -0.853 0.000 0.598) 1.041 15.183 ( -4.175 0.000 8.415) 9.394 15.481 ( 3.309 -0.000 -1.370) 3.581 15.781 ( 5.274 -0.000 3.449) 6.301 15.995 ( 4.831 -0.000 -3.167) 5.777 25.203 ( 3.338 -0.000 -0.038) 3.338 25.304 ( 2.092 -0.000 1.276) 2.450 25.409 ( -3.037 0.000 -1.856) 3.560 25.430 ( 3.317 -0.000 2.372) 4.077 25.486 ( 4.540 -0.000 -1.376) 4.744 25.512 ( -3.132 0.000 -1.500) 3.473 25.984 ( -6.583 0.000 -4.310) 7.869 26.201 ( 8.382 -0.000 6.774) 10.777 26.324 ( -4.005 0.000 1.064) 4.144 26.419 ( -3.415 0.000 3.873) 5.164 27.054 ( -14.723 0.000 7.557) 16.550 27.069 ( -51.735 0.000 -46.665) 69.672 29.469 ( 4.299 -0.000 0.370) 4.315 29.481 ( 4.795 -0.000 -0.540) 4.825 30.601 ( 42.356 -0.000 44.726) 61.599 31.117 ( 16.764 -0.000 -4.752) 17.424 ======================= Grid point 254 (103/138) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( -2.320 0.000 -28.754) 28.847 1.156 ( 2.320 -0.000 28.754) 28.847 1.249 ( -5.470 0.000 -31.822) 32.288 1.249 ( 5.470 -0.000 31.822) 32.288 2.383 ( 6.986 -0.000 -6.253) 9.376 2.383 ( -6.986 0.000 6.253) 9.376 2.491 ( -1.855 0.000 -49.241) 49.276 2.491 ( 1.855 -0.000 49.241) 49.276 2.752 ( -3.846 0.000 -18.357) 18.755 2.752 ( 3.846 -0.000 18.357) 18.755 3.278 ( 4.011 -0.000 -9.845) 10.630 3.278 ( -4.011 0.000 9.845) 10.630 3.448 ( 2.161 -0.000 -2.102) 3.015 3.448 ( -2.161 0.000 2.102) 3.015 3.629 ( -12.607 0.000 -0.106) 12.607 3.629 ( 12.607 -0.000 0.106) 12.607 3.986 ( 2.888 -0.000 -3.024) 4.181 3.986 ( -2.888 0.000 3.024) 4.181 4.212 ( -3.503 0.000 -8.435) 9.134 4.212 ( 3.503 -0.000 8.435) 9.134 4.309 ( 12.605 -0.000 -9.438) 15.747 4.309 ( -12.605 0.000 9.438) 15.747 4.392 ( 5.498 -0.000 -7.647) 9.418 4.392 ( -5.498 0.000 7.647) 9.418 4.619 ( -8.996 0.000 -5.091) 10.336 4.619 ( 8.996 -0.000 5.091) 10.336 5.177 ( 2.795 -0.000 -4.564) 5.352 5.177 ( -2.795 0.000 4.564) 5.352 5.446 ( -1.751 0.000 -3.109) 3.568 5.446 ( 1.751 -0.000 3.109) 3.568 5.725 ( 5.410 -0.000 -4.426) 6.990 5.725 ( -5.410 0.000 4.426) 6.990 6.076 ( 1.094 -0.000 -6.876) 6.962 6.076 ( -1.094 0.000 6.876) 6.962 6.412 ( -10.443 0.000 -6.961) 12.550 6.412 ( 10.443 -0.000 6.961) 12.550 6.907 ( 11.837 -0.000 -20.282) 23.484 6.907 ( -11.837 0.000 20.282) 23.484 7.528 ( 3.975 -0.000 -6.507) 7.625 7.528 ( -3.975 0.000 6.507) 7.625 8.678 ( -6.443 0.000 -5.928) 8.755 8.678 ( 6.443 -0.000 5.928) 8.755 9.360 ( -17.214 0.000 -2.490) 17.393 9.360 ( 17.214 -0.000 2.490) 17.393 10.146 ( -7.869 0.000 1.964) 8.111 10.146 ( 7.869 -0.000 -1.964) 8.111 10.796 ( -2.430 0.000 -1.407) 2.808 10.796 ( 2.430 -0.000 1.407) 2.808 10.999 ( 1.310 -0.000 -5.616) 5.767 10.999 ( -1.310 0.000 5.616) 5.767 11.072 ( 1.008 -0.000 -1.695) 1.972 11.072 ( -1.008 0.000 1.695) 1.972 11.552 ( 2.788 -0.000 -4.136) 4.988 11.552 ( -2.788 0.000 4.136) 4.988 12.262 ( 7.846 -0.000 -7.555) 10.892 12.262 ( -7.846 0.000 7.555) 10.892 14.304 ( -3.162 0.000 -1.703) 3.591 14.304 ( 3.162 -0.000 1.703) 3.591 14.427 ( -2.297 0.000 -1.099) 2.546 14.427 ( 2.297 -0.000 1.099) 2.546 14.700 ( -3.732 0.000 -5.496) 6.643 14.700 ( 3.732 -0.000 5.496) 6.643 15.074 ( -1.122 0.000 -1.593) 1.948 15.074 ( 1.122 -0.000 1.593) 1.948 15.320 ( -0.064 0.000 -10.866) 10.866 15.320 ( 0.064 -0.000 10.866) 10.866 16.000 ( 0.908 -0.000 -4.335) 4.429 16.000 ( -0.908 0.000 4.335) 4.429 25.266 ( -3.101 0.000 -1.101) 3.291 25.266 ( 3.101 -0.000 1.101) 3.291 25.429 ( -4.358 0.000 -0.296) 4.368 25.429 ( 4.358 -0.000 0.296) 4.368 25.526 ( 0.718 -0.000 -2.107) 2.226 25.526 ( -0.718 0.000 2.107) 2.226 25.922 ( -12.047 0.000 0.037) 12.047 25.922 ( 12.047 -0.000 -0.037) 12.047 26.307 ( 1.203 -0.000 -1.234) 1.723 26.307 ( -1.203 0.000 1.234) 1.723 26.819 ( -16.423 0.000 -1.381) 16.481 26.819 ( 16.423 -0.000 1.381) 16.481 29.522 ( 0.094 -0.000 -0.535) 0.543 29.522 ( -0.094 0.000 0.535) 0.543 31.299 ( -2.169 0.000 0.168) 2.175 31.299 ( 2.169 -0.000 -0.168) 2.175 ======================= Grid point 256 (104/138) ======================= q-point: ( 0.09 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 11.410 -13.194 1.209) 17.486 1.373 ( 11.335 -13.553 1.176) 17.708 1.453 ( 3.340 -20.931 -21.955) 30.517 1.583 ( 12.940 -21.121 21.751) 32.964 2.273 ( -6.524 2.842 -1.199) 7.216 2.426 ( 5.991 2.144 -5.270) 8.262 2.528 ( 1.407 2.836 -4.685) 5.654 2.620 ( 12.057 0.226 3.977) 12.698 2.734 ( 4.964 -10.171 -39.062) 40.669 2.798 ( 8.962 -10.490 43.197) 45.347 3.311 ( -7.817 -2.411 0.692) 8.209 3.356 ( -6.209 -9.338 4.843) 12.215 3.495 ( 5.831 -1.627 -3.147) 6.823 3.573 ( 9.813 -5.281 -2.141) 11.347 3.605 ( -1.761 -6.137 4.311) 7.703 3.737 ( 7.679 3.022 -4.144) 9.235 3.962 ( -2.915 -1.499 2.752) 4.280 4.093 ( 9.302 -9.710 -2.601) 13.696 4.183 ( 4.321 -2.162 -0.387) 4.847 4.226 ( 3.079 1.731 1.504) 3.839 4.339 ( 3.333 -6.120 5.212) 8.702 4.416 ( 3.145 -8.379 -1.907) 9.150 4.456 ( 3.567 -5.929 4.098) 8.041 4.567 ( 18.315 -4.622 -7.825) 20.446 4.703 ( 0.659 -12.202 -1.449) 12.305 4.839 ( 13.138 -9.186 2.616) 16.242 5.267 ( -1.235 -11.263 3.695) 11.918 5.307 ( 3.777 -8.831 -6.131) 11.394 5.499 ( 3.530 -5.924 -0.536) 6.917 5.589 ( 12.079 -7.758 3.095) 14.686 5.773 ( -4.019 -10.901 4.058) 12.307 5.867 ( 5.712 -9.458 -3.098) 11.475 6.115 ( -0.601 -5.570 -1.383) 5.771 6.121 ( 0.028 -5.638 -1.370) 5.802 6.283 ( -10.188 2.255 -8.107) 13.214 6.503 ( 9.893 -0.309 6.406) 11.790 6.833 ( -5.072 -1.211 12.395) 13.447 7.018 ( 13.090 1.791 -11.805) 17.717 7.477 ( -3.715 1.781 5.397) 6.789 7.548 ( 3.274 1.941 -5.489) 6.679 8.465 ( -9.550 11.193 -0.359) 14.718 8.598 ( 2.587 10.842 2.246) 11.370 9.310 ( -15.614 -8.394 1.717) 17.810 9.623 ( 12.099 -7.951 3.415) 14.875 10.088 ( -6.423 -1.080 -0.889) 6.574 10.222 ( 7.037 0.588 -3.322) 7.804 10.682 ( -6.865 6.348 -2.957) 9.807 10.788 ( 3.449 4.003 3.797) 6.507 10.957 ( -10.674 -2.085 1.393) 10.965 11.062 ( 0.059 -3.680 1.869) 4.128 11.081 ( 3.285 -1.684 2.347) 4.374 11.221 ( 12.018 -6.267 -4.186) 14.185 11.478 ( -2.510 6.843 2.857) 7.828 11.516 ( 0.223 4.181 -1.331) 4.394 11.999 ( -19.073 13.886 5.654) 24.260 12.340 ( 8.688 -1.746 -13.307) 15.988 14.215 ( -1.137 6.067 -0.218) 6.177 14.265 ( 2.013 3.488 1.106) 4.176 14.437 ( -4.376 0.144 -2.466) 5.025 14.508 ( 2.671 -4.959 3.712) 6.746 14.709 ( -2.828 -3.001 -4.578) 6.161 14.804 ( 5.441 -6.043 2.350) 8.465 15.010 ( -6.238 2.618 4.704) 8.240 15.101 ( 1.082 -1.894 -1.406) 2.596 15.312 ( 1.038 0.528 -8.043) 8.127 15.347 ( 3.387 -1.848 9.299) 10.067 15.904 ( -3.590 6.040 7.073) 9.970 15.920 ( -2.194 5.883 -8.186) 10.317 25.240 ( -3.661 1.086 -0.222) 3.825 25.304 ( 2.759 1.207 -0.645) 3.080 25.404 ( -5.348 -1.942 -0.224) 5.694 25.469 ( -3.878 0.246 0.980) 4.007 25.514 ( 0.277 -3.612 1.245) 3.831 25.550 ( 5.373 -3.623 -0.649) 6.513 25.863 ( -3.911 -0.940 0.182) 4.027 26.095 ( 14.622 0.511 4.404) 15.279 26.349 ( 2.114 -4.644 0.683) 5.148 26.419 ( 13.603 -5.948 1.907) 14.968 26.781 ( -15.383 -12.037 0.282) 19.535 27.156 ( 22.195 -15.317 -9.556) 28.611 29.490 ( -2.666 1.897 0.103) 3.273 29.497 ( -2.001 1.683 -0.034) 2.615 31.007 ( -15.009 19.866 9.683) 26.715 31.044 ( -11.123 20.011 -8.974) 24.591 ======================= Grid point 258 (105/138) ======================= q-point: ( 0.18 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( -5.307 -7.039 1.053) 8.878 1.675 ( 4.921 -12.114 -3.894) 13.643 1.840 ( 10.695 -16.177 0.478) 19.398 2.033 ( 9.545 -18.493 8.302) 22.406 2.261 ( 3.088 -5.725 -2.997) 7.162 2.432 ( 4.985 1.056 -3.420) 6.137 2.516 ( 5.276 2.113 -3.225) 6.534 2.723 ( 20.551 0.929 3.488) 20.865 3.151 ( 6.265 -19.992 -16.763) 26.832 3.226 ( 5.628 -15.082 -6.771) 17.464 3.244 ( -1.092 -8.896 11.067) 14.241 3.491 ( 0.993 -11.132 17.902) 21.104 3.534 ( 1.821 -0.300 -3.618) 4.061 3.619 ( 4.624 6.449 7.018) 10.594 3.714 ( 0.673 -0.308 -8.418) 8.450 3.793 ( 2.487 -9.706 0.198) 10.021 3.993 ( 3.896 -1.823 1.370) 4.514 4.220 ( 0.794 -0.988 -0.272) 1.296 4.304 ( -0.761 -6.194 -1.785) 6.491 4.381 ( 5.957 -10.682 -0.482) 12.241 4.585 ( 11.201 -2.720 0.373) 11.532 4.684 ( 19.790 -22.669 1.303) 30.120 4.756 ( 8.417 -19.284 3.640) 21.353 4.837 ( 17.096 -5.573 -3.382) 18.297 4.928 ( 4.219 -11.058 -0.323) 11.840 5.120 ( 12.295 -9.320 1.182) 15.473 5.443 ( -0.917 -10.317 0.042) 10.358 5.495 ( 6.000 -9.472 -4.075) 11.930 5.705 ( 6.568 -9.558 -1.894) 11.751 5.884 ( 13.293 -13.045 3.511) 18.952 5.988 ( -1.271 -14.985 5.182) 15.906 6.066 ( 2.416 -6.761 -5.212) 8.872 6.238 ( 2.026 -10.433 -4.019) 11.363 6.263 ( -0.504 -12.917 -3.948) 13.516 6.319 ( 2.759 -15.481 0.214) 15.727 6.649 ( 13.246 -4.489 7.792) 16.009 6.857 ( -1.142 -5.006 2.904) 5.899 7.085 ( 8.654 2.745 -3.894) 9.878 7.410 ( 0.339 3.409 4.107) 5.348 7.517 ( 2.539 4.935 -3.914) 6.791 8.208 ( -8.165 8.996 2.758) 12.458 8.441 ( 1.013 9.251 -0.590) 9.325 9.263 ( -11.793 -1.362 2.918) 12.225 9.748 ( 2.962 2.054 -1.515) 3.909 10.032 ( -5.070 1.773 -1.779) 5.658 10.223 ( 2.382 5.353 -4.114) 7.159 10.491 ( -7.035 7.458 2.063) 10.458 10.732 ( 1.902 5.532 2.376) 6.314 10.856 ( -6.338 4.889 1.287) 8.107 11.059 ( -7.271 -1.639 3.663) 8.305 11.127 ( -1.036 12.022 7.543) 14.230 11.241 ( -7.825 4.313 0.334) 8.941 11.382 ( 5.555 -1.511 -6.204) 8.464 11.562 ( -3.361 -5.177 2.793) 6.775 11.656 ( -2.341 3.902 -6.921) 8.283 12.440 ( 5.396 -0.818 -8.626) 10.208 14.110 ( -0.625 5.139 1.698) 5.448 14.252 ( 1.464 0.725 2.513) 2.997 14.354 ( -3.644 3.320 -2.312) 5.445 14.577 ( 2.657 1.245 -0.018) 2.935 14.711 ( -4.742 -3.614 0.249) 5.967 14.906 ( -0.361 -1.671 1.863) 2.529 14.982 ( -1.102 -4.345 1.688) 4.789 15.138 ( -0.651 -2.864 -2.419) 3.805 15.347 ( 4.904 -0.417 -6.510) 8.160 15.432 ( 1.586 -3.941 11.438) 12.202 15.797 ( -1.412 3.714 6.882) 7.946 15.846 ( 2.292 1.300 -9.775) 10.124 25.164 ( -3.771 2.743 0.836) 4.737 25.289 ( 3.135 3.488 -2.326) 5.235 25.373 ( -7.587 -2.404 -0.364) 7.967 25.419 ( -3.305 1.549 1.513) 3.951 25.509 ( -1.052 1.461 0.451) 1.856 25.774 ( 9.908 -8.948 -0.581) 13.363 25.880 ( -2.002 -4.544 0.257) 4.972 26.159 ( 2.434 -0.580 0.970) 2.683 26.492 ( 6.663 -6.744 0.640) 9.502 26.591 ( 15.960 5.273 -0.184) 16.809 26.957 ( -7.705 -20.681 8.968) 23.822 27.632 ( 18.915 -16.192 -11.572) 27.456 29.423 ( -3.696 2.086 0.462) 4.269 29.436 ( -2.967 2.364 -0.148) 3.796 30.507 ( -15.531 20.284 9.408) 27.225 30.585 ( -11.821 18.954 -8.758) 23.993 ======================= Grid point 259 (106/138) ======================= q-point: ( 0.27 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( -7.236 -1.515 4.457) 8.633 1.798 ( -3.529 -3.797 -5.379) 7.470 2.184 ( 9.461 -13.066 7.028) 17.596 2.375 ( 9.402 -8.772 -3.930) 13.445 2.454 ( 7.191 -7.410 -0.351) 10.331 2.522 ( 7.400 -6.070 8.990) 13.131 2.590 ( 5.223 -7.881 -12.360) 15.561 2.965 ( 17.431 -5.197 -0.408) 18.193 3.206 ( -1.034 -0.044 -0.364) 1.097 3.304 ( -4.060 -2.281 -2.761) 5.414 3.485 ( -0.790 -1.773 -5.966) 6.274 3.530 ( 0.618 3.882 11.551) 12.202 3.615 ( 4.824 -0.024 2.722) 5.539 3.748 ( 5.377 -7.126 -7.197) 11.467 3.856 ( 1.350 -12.839 10.968) 16.940 3.920 ( -3.156 -7.475 -0.931) 8.168 4.090 ( 7.074 -1.966 -4.507) 8.615 4.278 ( 1.312 -4.035 5.400) 6.867 4.439 ( 4.466 -12.224 -9.099) 15.880 4.613 ( 3.775 -10.188 3.838) 11.523 4.730 ( 8.369 -2.436 -4.788) 9.945 5.004 ( 4.151 -5.907 4.180) 8.342 5.064 ( 6.099 -9.353 -4.932) 12.207 5.151 ( 7.511 -7.357 4.621) 11.485 5.246 ( 16.793 -11.529 1.663) 20.437 5.313 ( 3.439 -4.072 -0.296) 5.339 5.644 ( 3.608 -14.952 1.001) 15.413 5.808 ( 9.863 -15.454 -5.458) 19.128 5.894 ( 8.514 -9.436 -4.532) 13.493 6.215 ( 12.898 -12.711 0.291) 18.111 6.219 ( 4.831 -11.265 3.162) 12.659 6.310 ( 6.648 -19.061 4.467) 20.675 6.522 ( 7.029 -13.334 -0.492) 15.082 6.591 ( 4.695 -20.180 0.192) 20.720 6.693 ( 4.476 -24.844 -1.605) 25.295 6.892 ( 10.830 -4.774 2.366) 12.070 6.988 ( 3.638 -11.919 -0.141) 12.462 7.094 ( 6.723 2.688 -2.026) 7.518 7.418 ( 7.982 0.034 4.727) 9.276 7.455 ( 3.200 3.589 -3.491) 5.942 8.007 ( -5.974 6.868 0.816) 9.139 8.322 ( 0.697 5.646 -0.019) 5.689 9.131 ( -7.523 5.964 1.841) 9.775 9.598 ( -9.272 11.356 -3.120) 14.988 9.956 ( -0.479 3.331 -0.245) 3.374 10.105 ( -1.524 7.706 -4.686) 9.147 10.312 ( -3.051 9.204 4.290) 10.603 10.602 ( -5.261 9.815 -0.214) 11.138 10.686 ( -20.209 7.597 1.717) 21.658 10.750 ( 1.294 11.999 6.098) 13.522 11.040 ( -3.603 1.164 2.707) 4.654 11.135 ( -5.922 5.441 0.024) 8.042 11.386 ( 1.427 6.118 0.867) 6.341 11.523 ( -2.797 -5.395 -10.276) 11.938 11.843 ( 5.403 -9.668 -4.897) 12.109 12.461 ( 1.131 1.026 3.670) 3.975 14.039 ( -0.587 2.679 2.829) 3.940 14.255 ( -0.224 -0.555 -1.493) 1.608 14.308 ( 3.307 1.539 -1.123) 3.816 14.552 ( -0.931 0.968 -3.427) 3.680 14.751 ( -2.928 -4.203 2.282) 5.608 14.910 ( 0.096 -0.106 -0.511) 0.530 15.058 ( -2.887 -6.492 -0.140) 7.106 15.189 ( 3.524 -0.466 -0.452) 3.584 15.352 ( 0.861 3.537 6.268) 7.249 15.506 ( -0.400 -4.636 -4.989) 6.822 15.751 ( 0.700 1.427 4.723) 4.984 15.913 ( 5.658 -3.040 -2.619) 6.936 25.093 ( -3.166 1.734 0.805) 3.699 25.250 ( 1.108 3.447 -2.540) 4.423 25.349 ( -3.571 -0.890 0.757) 3.758 25.355 ( -3.549 1.633 0.811) 3.990 25.463 ( -1.079 2.491 0.139) 2.718 25.919 ( 0.238 -3.891 -1.125) 4.057 26.018 ( 10.959 -3.630 1.289) 11.616 26.206 ( -3.472 -6.695 -0.207) 7.545 26.603 ( 5.440 2.664 0.633) 6.090 26.694 ( 9.671 -5.838 -1.789) 11.437 27.208 ( -0.732 -12.860 7.437) 14.874 28.036 ( 14.898 -12.957 -7.597) 21.155 29.359 ( -3.197 1.679 0.742) 3.686 29.371 ( -2.830 1.720 -0.176) 3.316 30.059 ( -13.612 16.714 5.175) 22.168 30.214 ( -9.099 13.184 -4.507) 16.641 ======================= Grid point 260 (107/138) ======================= q-point: ( 0.36 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( -3.797 -2.649 5.160) 6.933 1.782 ( -3.861 0.696 -4.312) 5.830 2.450 ( 5.933 -8.241 9.954) 14.219 2.495 ( 7.334 -2.616 -12.493) 14.721 2.641 ( 7.046 -5.015 4.705) 9.845 2.763 ( 7.602 -12.285 3.662) 14.904 2.827 ( 3.963 -10.865 -7.314) 13.684 3.124 ( -1.696 4.654 1.969) 5.331 3.174 ( 6.673 -4.150 -1.828) 8.068 3.354 ( 5.307 -1.348 -0.095) 5.477 3.488 ( -0.621 1.125 5.098) 5.257 3.506 ( -0.423 -2.069 -7.250) 7.551 3.607 ( -0.626 2.245 2.534) 3.442 3.783 ( -0.423 2.487 0.053) 2.523 3.942 ( -1.440 -1.295 1.846) 2.676 3.999 ( -6.892 -3.792 -1.795) 8.069 4.178 ( 4.313 -3.191 1.230) 5.504 4.366 ( 1.059 -4.538 5.446) 7.167 4.673 ( 4.967 -2.920 2.482) 6.274 4.786 ( 4.568 -5.852 -5.542) 9.264 4.824 ( 0.832 -5.314 -5.069) 7.391 5.147 ( 5.690 -4.935 3.046) 8.125 5.194 ( 2.249 -2.214 -5.238) 6.116 5.272 ( 1.808 -3.171 0.216) 3.657 5.375 ( 0.261 -2.413 -0.442) 2.467 5.419 ( 6.181 -2.252 5.507) 8.579 6.000 ( 7.693 -15.582 1.267) 17.424 6.012 ( 2.659 -8.318 -6.992) 11.187 6.282 ( 13.096 -16.289 -2.834) 21.092 6.443 ( 3.561 -11.111 3.786) 12.267 6.616 ( 3.013 -11.967 6.975) 14.175 6.661 ( 17.028 -12.698 4.527) 21.718 6.746 ( 6.045 -4.270 -0.408) 7.412 6.868 ( 2.964 -6.570 -1.773) 7.423 7.003 ( 1.361 -11.112 -4.716) 12.148 7.112 ( 8.743 -2.809 -1.714) 9.342 7.177 ( 1.583 -19.962 -0.987) 20.049 7.320 ( 6.984 -11.558 2.587) 13.750 7.423 ( 3.825 -0.289 -0.433) 3.860 7.687 ( 17.487 -12.773 -0.633) 21.664 7.896 ( 0.883 0.312 -1.390) 1.676 8.283 ( 1.722 0.091 3.253) 3.682 8.933 ( -4.933 9.740 1.137) 10.977 9.277 ( -12.356 12.530 -2.270) 17.743 9.876 ( -1.225 6.605 -0.395) 6.729 9.992 ( -0.336 2.911 -4.267) 5.176 10.106 ( -2.076 12.118 2.027) 12.460 10.326 ( -13.874 9.885 4.276) 17.563 10.361 ( -8.484 10.524 0.143) 13.519 10.624 ( -2.436 8.595 0.826) 8.972 10.960 ( -2.570 4.908 -4.157) 6.926 10.994 ( -8.238 0.371 3.893) 9.119 11.324 ( 2.169 3.421 3.985) 5.682 11.557 ( -3.299 -1.531 -8.217) 8.986 12.009 ( 3.691 -5.234 -5.605) 8.511 12.470 ( 0.609 -1.374 8.600) 8.731 14.006 ( -0.249 1.059 2.784) 2.989 14.275 ( 2.328 -0.195 -6.489) 6.897 14.347 ( 3.207 -2.067 1.274) 4.022 14.536 ( -1.599 -0.345 -2.015) 2.596 14.787 ( -2.133 -3.471 0.173) 4.078 14.924 ( 0.099 -1.061 -1.008) 1.467 15.126 ( -2.216 -2.806 -0.555) 3.618 15.180 ( 1.949 3.305 5.389) 6.615 15.307 ( -0.261 0.943 1.793) 2.042 15.555 ( -0.474 -1.248 -3.792) 4.020 15.776 ( 2.560 -2.481 -1.225) 3.770 16.002 ( 3.626 -1.550 2.469) 4.653 25.047 ( -2.260 0.641 0.399) 2.383 25.202 ( -0.588 2.286 -1.527) 2.812 25.288 ( -1.144 2.885 0.883) 3.226 25.346 ( -1.873 -1.152 -0.061) 2.200 25.416 ( -0.863 1.772 0.258) 1.988 25.972 ( -0.065 -2.487 -0.566) 2.551 26.118 ( 7.445 1.369 0.771) 7.609 26.321 ( -2.034 -8.693 -0.020) 8.928 26.604 ( 2.932 1.707 0.031) 3.393 26.871 ( 6.669 -5.103 -1.245) 8.489 27.369 ( 0.175 -6.776 3.681) 7.714 28.353 ( 11.449 -9.909 -4.132) 15.695 29.303 ( -2.012 1.692 0.963) 2.800 29.334 ( -1.892 0.200 0.367) 1.938 29.690 ( -11.388 13.071 2.120) 17.465 29.968 ( -5.847 7.656 -1.983) 9.835 ======================= Grid point 261 (108/138) ======================= q-point: ( 0.45 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( -0.849 -2.881 3.632) 4.713 1.720 ( -1.742 2.503 -3.186) 4.410 2.556 ( 2.839 -1.833 2.263) 4.067 2.630 ( 3.312 -4.058 -7.272) 8.962 2.745 ( 1.373 -0.522 7.054) 7.206 2.944 ( 0.502 -2.620 -2.419) 3.601 2.967 ( 1.126 -2.810 -3.025) 4.280 3.152 ( 6.859 -8.969 9.564) 14.797 3.276 ( 0.814 -2.407 -2.596) 3.633 3.392 ( 4.531 3.997 -2.038) 6.377 3.421 ( -3.897 5.387 -3.849) 7.682 3.482 ( -2.745 0.661 -2.318) 3.653 3.609 ( 1.172 -1.502 3.397) 3.895 3.733 ( -1.522 1.004 0.280) 1.845 3.936 ( 0.081 0.162 1.312) 1.325 3.975 ( -3.906 -0.788 -1.590) 4.291 4.248 ( 1.284 -1.413 0.508) 1.976 4.438 ( 0.917 -2.307 3.289) 4.121 4.686 ( 0.793 1.576 2.645) 3.179 4.836 ( 0.659 0.184 -1.796) 1.922 4.909 ( -0.645 -2.648 -3.942) 4.792 5.215 ( 0.231 0.050 -1.919) 1.934 5.254 ( 3.210 -2.117 1.647) 4.183 5.321 ( 0.582 -1.127 -1.490) 1.957 5.412 ( 0.030 -1.652 -0.009) 1.652 5.502 ( 2.639 -1.509 2.439) 3.897 6.132 ( 1.117 -3.624 -1.359) 4.029 6.263 ( 4.089 -8.035 -3.406) 9.637 6.531 ( 1.064 -0.722 4.783) 4.952 6.655 ( 6.143 -7.040 4.299) 10.285 6.682 ( -1.077 -1.630 -3.713) 4.196 6.742 ( -0.863 -1.814 0.602) 2.097 6.942 ( 3.891 -5.949 -0.785) 7.152 7.049 ( 7.298 -0.651 1.924) 7.575 7.139 ( -0.628 4.001 -0.830) 4.134 7.226 ( 4.376 -12.349 -2.112) 13.270 7.349 ( 1.611 -2.359 -0.434) 2.890 7.386 ( -0.621 1.852 1.515) 2.472 7.670 ( 3.385 -11.213 -0.664) 11.731 7.868 ( 2.203 -2.649 -1.269) 3.672 8.166 ( 11.058 -11.616 -1.835) 16.142 8.348 ( 2.526 -3.214 3.265) 5.232 8.770 ( -1.124 2.838 3.607) 4.725 8.968 ( -8.633 11.371 -3.706) 14.750 9.756 ( -1.367 4.085 0.228) 4.314 9.902 ( -3.699 4.991 -0.031) 6.213 10.011 ( 7.608 1.467 -5.286) 9.379 10.110 ( -8.002 3.093 5.366) 10.119 10.150 ( -4.765 5.569 0.312) 7.336 10.430 ( -5.776 6.168 0.009) 8.451 10.904 ( 1.404 1.140 -6.413) 6.663 10.933 ( -4.365 0.211 5.916) 7.355 11.304 ( 1.220 1.179 2.264) 2.830 11.533 ( -1.966 0.224 -3.178) 3.744 12.093 ( 1.515 -1.760 -2.239) 3.226 12.503 ( 0.311 -1.187 3.684) 3.883 13.994 ( -0.017 0.293 1.202) 1.237 14.292 ( 1.220 0.200 -2.706) 2.975 14.414 ( 1.497 -2.081 -0.175) 2.570 14.528 ( -0.687 -0.065 -0.118) 0.700 14.833 ( 0.187 -2.778 -1.211) 3.036 14.926 ( -2.250 -0.131 -0.202) 2.263 15.066 ( 1.827 4.693 1.853) 5.366 15.217 ( -2.842 -4.623 2.585) 6.011 15.291 ( 1.731 2.255 -1.186) 3.080 15.553 ( -0.297 0.277 -0.605) 0.728 15.849 ( 1.561 -2.410 -2.572) 3.855 16.031 ( 0.892 0.303 2.396) 2.574 25.026 ( -0.866 0.081 0.078) 0.873 25.170 ( -0.387 0.801 -0.475) 1.009 25.244 ( -0.341 1.262 0.275) 1.336 25.348 ( -0.448 -0.364 -0.035) 0.578 25.391 ( -0.308 0.596 0.139) 0.685 26.000 ( 0.029 -0.803 -0.189) 0.826 26.146 ( 2.184 0.519 0.237) 2.258 26.412 ( -0.251 -3.070 0.081) 3.081 26.605 ( 0.929 0.406 -0.002) 1.014 26.976 ( 2.416 -1.897 -0.467) 3.107 27.444 ( 0.114 -2.183 0.997) 2.403 28.567 ( 5.395 -4.733 -1.658) 7.366 29.276 ( -0.073 0.142 2.056) 2.063 29.325 ( -0.455 -0.596 0.421) 0.860 29.425 ( -6.347 7.101 -0.998) 9.576 29.845 ( -2.041 2.481 -0.478) 3.248 ======================= Grid point 270 (109/138) ======================= q-point: ( 0.09 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( 9.269 -0.000 -26.603) 28.171 1.438 ( 22.453 -0.000 -20.993) 30.738 1.490 ( 19.772 -0.000 21.037) 28.870 1.510 ( 18.806 -0.000 28.343) 34.015 2.262 ( -1.807 0.000 2.298) 2.923 2.452 ( 1.898 -0.000 -34.160) 34.212 2.579 ( 6.893 -0.000 -15.542) 17.002 2.707 ( 17.982 -0.000 39.744) 43.623 2.751 ( 8.191 -0.000 -21.332) 22.851 2.902 ( 10.352 -0.000 24.710) 26.791 3.210 ( -0.529 0.000 13.228) 13.238 3.240 ( -5.490 0.000 -2.337) 5.967 3.537 ( 5.138 -0.000 -2.957) 5.928 3.566 ( 7.420 -0.000 -1.492) 7.568 3.621 ( 10.119 -0.000 -5.729) 11.628 3.869 ( 13.633 -0.000 -0.770) 13.654 3.993 ( 6.193 -0.000 6.259) 8.805 4.087 ( 9.631 -0.000 -0.428) 9.641 4.199 ( 0.240 -0.000 10.126) 10.129 4.266 ( 7.797 -0.000 -5.625) 9.615 4.351 ( 0.395 -0.000 5.161) 5.176 4.380 ( -1.655 0.000 -12.409) 12.519 4.436 ( 16.501 -0.000 4.916) 17.218 4.661 ( 15.204 -0.000 -7.088) 16.775 4.799 ( 27.087 -0.000 4.259) 27.420 4.937 ( 21.066 -0.000 1.032) 21.091 5.154 ( 0.970 -0.000 2.577) 2.754 5.263 ( 6.763 -0.000 -6.219) 9.188 5.569 ( 12.440 -0.000 -1.423) 12.521 5.636 ( -1.650 0.000 2.990) 3.415 5.636 ( 14.344 -0.000 5.596) 15.397 5.849 ( 8.226 -0.000 -1.556) 8.372 6.063 ( 0.096 -0.000 2.558) 2.560 6.073 ( -1.479 0.000 -8.218) 8.350 6.229 ( -6.040 0.000 -4.374) 7.457 6.540 ( 2.475 -0.000 -0.203) 2.483 6.812 ( 0.785 -0.000 18.328) 18.345 7.193 ( 16.551 -0.000 -18.294) 24.670 7.451 ( -3.583 0.000 4.545) 5.788 7.585 ( 1.933 -0.000 -5.599) 5.923 8.483 ( -11.983 0.000 -3.579) 12.506 8.646 ( -9.465 0.000 5.379) 10.887 9.142 ( -3.647 0.000 4.563) 5.842 9.579 ( 0.987 -0.000 6.323) 6.399 10.028 ( -2.889 0.000 -0.892) 3.024 10.299 ( 7.232 -0.000 -7.056) 10.103 10.708 ( -9.555 0.000 -0.291) 9.559 10.735 ( -3.976 0.000 -0.930) 4.083 10.919 ( -2.986 0.000 -0.543) 3.035 10.999 ( 4.912 -0.000 5.931) 7.701 11.204 ( 5.644 -0.000 -6.376) 8.515 11.206 ( 7.763 -0.000 4.992) 9.230 11.510 ( -1.830 0.000 5.152) 5.467 11.597 ( 0.743 -0.000 -4.515) 4.576 12.094 ( -4.043 0.000 8.420) 9.340 12.167 ( -19.059 0.000 -6.645) 20.184 14.284 ( 0.762 -0.000 -2.316) 2.438 14.317 ( -4.097 0.000 -1.145) 4.254 14.378 ( -1.627 0.000 -2.348) 2.857 14.484 ( 5.127 -0.000 4.389) 6.749 14.689 ( 2.673 -0.000 -7.541) 8.000 14.787 ( 3.609 -0.000 2.194) 4.223 15.041 ( -4.707 0.000 1.783) 5.033 15.044 ( -0.560 0.000 2.171) 2.242 15.332 ( 0.344 -0.000 10.966) 10.971 15.362 ( 5.859 -0.000 -10.658) 12.163 15.909 ( -7.995 0.000 -6.977) 10.611 15.913 ( -5.945 0.000 5.845) 8.337 25.212 ( -2.971 0.000 -1.014) 3.139 25.311 ( -2.592 0.000 0.791) 2.710 25.375 ( 1.530 -0.000 1.686) 2.276 25.464 ( -3.669 0.000 -1.065) 3.821 25.477 ( -0.180 0.000 -0.932) 0.949 25.502 ( 1.930 -0.000 -0.253) 1.947 25.903 ( 3.911 -0.000 4.693) 6.109 26.228 ( -0.443 0.000 2.075) 2.122 26.344 ( 3.518 -0.000 -1.007) 3.660 26.387 ( 17.320 -0.000 6.713) 18.575 26.744 ( 14.890 -0.000 -1.122) 14.932 27.236 ( 24.144 -0.000 -14.023) 27.921 29.470 ( -5.072 0.000 0.636) 5.112 29.478 ( -4.278 0.000 -0.535) 4.311 30.969 ( -27.099 0.000 13.353) 30.211 31.040 ( -24.152 0.000 -11.543) 26.768 ======================= Grid point 271 (110/138) ======================= q-point: ( 0.18 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( -0.057 -6.652 -6.635) 9.396 1.635 ( 11.835 -2.536 -0.972) 12.143 1.738 ( 16.566 -11.411 -1.956) 20.210 1.873 ( 16.182 -15.064 14.511) 26.445 2.257 ( 4.565 0.261 -1.771) 4.904 2.468 ( 0.958 -1.606 -10.857) 11.017 2.620 ( 6.174 1.803 -11.018) 12.758 2.931 ( 15.939 -2.883 -13.102) 20.834 3.008 ( 19.200 -7.602 2.571) 20.810 3.035 ( 13.937 -11.052 18.616) 25.748 3.198 ( -0.814 0.682 -0.095) 1.066 3.326 ( 7.172 -9.213 15.976) 19.788 3.548 ( -0.612 1.114 -1.740) 2.155 3.687 ( 3.040 -4.439 -2.454) 5.913 3.715 ( 5.870 -1.186 -3.360) 6.867 3.873 ( 8.221 9.531 3.629) 13.099 4.072 ( 12.538 1.418 6.105) 14.017 4.245 ( 2.459 -2.015 -0.524) 3.222 4.273 ( 5.032 2.856 -7.100) 9.159 4.310 ( 8.782 -5.510 1.994) 10.558 4.496 ( 8.185 -14.650 2.433) 16.957 4.539 ( 15.642 -15.606 -1.010) 22.119 4.702 ( 18.429 -8.258 1.001) 20.220 4.890 ( 18.909 -2.774 0.398) 19.115 5.028 ( 26.242 -0.295 -4.539) 26.633 5.122 ( 11.011 -3.003 2.707) 11.730 5.302 ( 7.846 -12.341 -1.510) 14.702 5.452 ( 13.309 -4.605 -4.429) 14.764 5.662 ( -3.713 -9.556 5.526) 11.646 5.679 ( 12.673 -1.604 -1.688) 12.885 5.899 ( 10.774 -8.468 -0.648) 13.719 6.007 ( 5.688 -6.423 0.721) 8.610 6.121 ( 5.883 -6.063 -1.324) 8.551 6.133 ( 5.692 -7.218 -3.884) 9.980 6.196 ( 1.967 -1.717 1.075) 2.824 6.621 ( 3.998 -6.589 0.854) 7.754 6.837 ( 3.170 -0.812 9.758) 10.292 7.267 ( 10.519 6.592 -9.176) 15.437 7.450 ( 2.851 -0.854 0.218) 2.984 7.586 ( 0.802 1.636 -4.138) 4.522 8.272 ( -9.759 8.506 2.474) 13.179 8.528 ( -8.455 3.855 1.652) 9.439 9.128 ( -4.355 -2.164 3.845) 6.200 9.642 ( -10.379 -8.267 -0.861) 13.297 10.017 ( 0.543 0.660 1.499) 1.725 10.316 ( 1.294 4.124 -8.834) 9.834 10.555 ( -3.357 5.597 2.290) 6.916 10.728 ( -9.256 -0.440 2.440) 9.583 10.864 ( -0.827 0.886 -1.365) 1.826 11.057 ( -1.767 4.598 -0.606) 4.963 11.213 ( 6.240 -3.606 2.485) 7.623 11.346 ( -8.269 8.859 -8.004) 14.523 11.396 ( 1.193 0.780 7.532) 7.665 11.477 ( -0.402 1.376 5.178) 5.373 11.865 ( 4.699 16.505 4.598) 17.766 12.205 ( -18.363 -15.289 -6.404) 24.738 14.220 ( -4.161 3.734 0.143) 5.592 14.271 ( 2.565 2.389 -2.478) 4.293 14.382 ( -0.559 0.289 -4.081) 4.129 14.566 ( 3.639 -3.418 6.071) 7.860 14.706 ( 2.183 3.239 -6.088) 7.233 14.855 ( -0.070 -2.568 2.819) 3.814 14.941 ( -1.646 0.526 2.624) 3.142 15.075 ( -1.397 -2.454 -0.944) 2.978 15.358 ( 1.956 -2.650 4.226) 5.358 15.446 ( 7.822 -0.457 -0.998) 7.899 15.804 ( -6.341 2.219 -1.821) 6.960 15.865 ( -1.705 0.103 -1.840) 2.510 25.166 ( -3.774 1.833 -0.626) 4.242 25.279 ( -4.232 -1.124 0.614) 4.421 25.392 ( 1.919 4.645 -3.153) 5.933 25.406 ( -1.618 -0.580 3.034) 3.487 25.464 ( -2.931 -2.029 0.094) 3.566 25.663 ( 4.702 -10.986 -1.408) 12.033 25.881 ( 2.279 3.325 2.296) 4.639 26.254 ( 4.115 2.108 0.927) 4.715 26.379 ( -0.543 -7.048 0.696) 7.103 26.613 ( 2.372 -7.589 -1.601) 8.111 26.950 ( 32.062 1.942 12.252) 34.378 27.577 ( 20.924 -12.047 -15.804) 28.856 29.402 ( -6.086 1.104 0.669) 6.221 29.424 ( -5.044 0.818 -0.294) 5.119 30.595 ( -24.562 11.906 17.496) 32.422 30.682 ( -22.591 11.700 -15.971) 30.039 ======================= Grid point 272 (111/138) ======================= q-point: ( 0.27 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( -8.212 -3.041 3.993) 9.625 1.704 ( -2.883 -1.229 -3.066) 4.384 2.099 ( 13.962 -12.458 1.445) 18.768 2.279 ( 15.202 -13.916 5.202) 21.256 2.394 ( 10.193 -7.805 -2.336) 13.049 2.545 ( 7.260 -2.041 -6.302) 9.827 2.658 ( 9.313 1.880 -5.278) 10.869 3.064 ( 8.136 -1.513 -2.541) 8.657 3.198 ( 0.601 -2.374 5.714) 6.217 3.227 ( 6.422 -4.903 1.718) 8.260 3.402 ( 4.239 -5.216 -6.576) 9.403 3.577 ( 5.289 -8.468 -4.244) 10.849 3.648 ( 9.671 -11.105 20.186) 24.986 3.695 ( 5.028 3.644 2.119) 6.561 3.735 ( 1.814 0.848 -10.138) 10.334 3.855 ( 3.439 -0.203 2.998) 4.566 4.171 ( 5.613 0.958 3.533) 6.702 4.276 ( 4.481 -1.534 -0.886) 4.819 4.332 ( 10.049 -5.138 -4.954) 12.325 4.518 ( 9.619 -7.190 0.772) 12.035 4.862 ( 15.848 -9.239 1.127) 18.379 4.913 ( 15.421 -5.815 -0.452) 16.487 5.020 ( 10.716 -2.459 0.390) 11.002 5.050 ( 9.807 -12.235 -0.601) 15.692 5.340 ( 13.445 -7.928 -2.293) 15.776 5.355 ( 21.469 -6.574 5.320) 23.075 5.528 ( 14.694 1.235 -3.689) 15.200 5.655 ( 8.549 -12.404 -4.220) 15.644 5.852 ( 7.769 -5.270 -2.148) 9.630 5.900 ( -2.453 -21.872 3.222) 22.244 6.094 ( 5.707 -10.612 -0.351) 12.054 6.217 ( 11.280 -11.388 -2.844) 16.279 6.320 ( 8.756 -12.663 -1.554) 15.474 6.385 ( 5.256 -14.391 -1.563) 15.400 6.442 ( 13.048 -11.529 9.124) 19.657 6.837 ( 5.922 -11.094 -1.404) 12.654 6.933 ( 10.973 -4.088 5.236) 12.827 7.234 ( 7.710 5.429 -4.370) 10.393 7.515 ( 9.174 0.319 1.566) 9.312 7.541 ( 0.634 3.758 -3.181) 4.964 8.064 ( -6.107 6.969 2.928) 9.717 8.380 ( -6.675 4.383 -1.274) 8.087 9.108 ( -5.549 -0.410 3.547) 6.598 9.556 ( -18.917 2.109 -4.173) 19.487 10.004 ( 1.544 2.349 2.530) 3.782 10.198 ( -3.522 6.855 -8.522) 11.490 10.453 ( 0.455 7.387 3.199) 8.063 10.557 ( -17.803 4.613 3.432) 18.709 10.814 ( -3.196 13.452 -0.889) 13.855 10.840 ( -6.118 3.313 1.317) 7.080 11.050 ( -5.018 5.986 0.192) 7.813 11.341 ( 10.384 6.798 9.177) 15.435 11.419 ( -0.699 -2.518 -2.619) 3.700 11.541 ( 1.857 9.445 0.046) 9.626 11.675 ( -1.206 -6.195 -6.683) 9.192 12.289 ( -14.701 -12.978 -0.481) 19.616 14.121 ( -2.073 4.288 2.494) 5.376 14.270 ( 3.601 1.154 -2.549) 4.560 14.377 ( 3.402 1.524 -3.478) 5.098 14.603 ( 0.724 5.251 -2.004) 5.667 14.654 ( -1.433 -2.681 3.479) 4.620 14.877 ( -1.147 -2.408 3.367) 4.296 14.962 ( -1.136 -1.800 -2.918) 3.612 15.159 ( 2.861 -6.231 -0.161) 6.859 15.434 ( -0.269 -2.199 6.786) 7.139 15.482 ( 7.924 3.849 -1.930) 9.018 15.742 ( -4.205 -1.173 1.146) 4.513 15.897 ( 2.608 -2.973 -4.213) 5.778 25.094 ( -3.244 2.170 0.074) 3.904 25.259 ( -4.148 -0.698 -0.137) 4.208 25.346 ( 1.858 2.565 -3.048) 4.396 25.381 ( -0.119 2.290 2.786) 3.609 25.459 ( -3.422 -0.520 0.358) 3.480 25.859 ( 1.000 -3.777 -1.089) 4.056 25.934 ( 2.814 -11.062 0.513) 11.426 26.242 ( 6.952 4.870 0.810) 8.527 26.488 ( -7.443 -8.649 0.828) 11.441 26.736 ( 8.159 -3.271 -2.930) 9.266 27.225 ( 24.670 -0.174 10.688) 26.886 27.966 ( 15.999 -12.660 -10.717) 23.046 29.333 ( -5.287 0.383 0.867) 5.371 29.361 ( -4.490 1.049 -0.273) 4.619 30.166 ( -18.785 13.983 9.984) 25.458 30.293 ( -16.824 10.951 -8.930) 21.970 ======================= Grid point 273 (112/138) ======================= q-point: ( 0.36 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( -7.731 -3.964 5.145) 10.097 1.679 ( -8.551 -3.309 -2.505) 9.505 2.397 ( 11.204 -8.797 5.560) 15.292 2.590 ( 11.288 -3.050 -6.613) 13.433 2.620 ( 9.809 -6.972 -2.302) 12.252 2.697 ( 10.659 -8.729 6.977) 15.442 2.752 ( 11.936 -1.500 -7.468) 14.159 3.125 ( -2.510 -1.199 -5.632) 6.281 3.234 ( 6.529 0.464 3.324) 7.341 3.379 ( 3.036 -5.764 -0.729) 6.555 3.411 ( 0.066 -0.747 5.633) 5.683 3.571 ( 1.479 6.736 5.011) 8.525 3.658 ( 1.628 2.881 -3.999) 5.191 3.809 ( -0.072 -1.630 -1.447) 2.180 3.877 ( -0.530 -3.770 -2.627) 4.625 3.923 ( 4.675 -3.057 1.953) 5.918 4.204 ( 3.671 -1.745 3.794) 5.560 4.355 ( 7.030 -1.520 0.694) 7.226 4.597 ( 7.878 -10.905 -7.793) 15.547 4.709 ( 6.715 -4.934 5.465) 9.965 4.946 ( 13.628 7.237 -1.129) 15.472 5.151 ( 10.047 -4.926 -2.518) 11.470 5.220 ( 7.979 -5.209 0.677) 9.553 5.238 ( 9.644 -2.240 -3.060) 10.363 5.478 ( 9.959 3.577 5.870) 12.101 5.527 ( 15.344 4.445 1.477) 16.042 5.786 ( 8.407 -15.704 -0.487) 17.819 5.909 ( 3.349 -8.659 -4.242) 10.207 6.120 ( 12.017 -16.345 -3.856) 20.651 6.246 ( 2.692 -17.242 -0.977) 17.478 6.420 ( 8.346 -16.293 9.645) 20.692 6.590 ( 12.010 -17.306 -0.029) 21.065 6.630 ( 5.594 -13.461 -1.796) 14.688 6.700 ( 4.746 -16.544 0.711) 17.226 6.779 ( 5.881 -19.422 2.679) 20.469 6.959 ( 2.311 0.386 -3.534) 4.240 7.126 ( 9.024 -4.119 -1.731) 10.069 7.324 ( 12.123 -1.609 1.481) 12.319 7.500 ( 4.055 2.352 0.859) 4.766 7.672 ( 12.943 -7.112 -1.117) 14.811 7.936 ( 0.367 3.625 0.931) 3.761 8.272 ( -5.604 0.931 -0.703) 5.725 9.025 ( -4.604 4.862 1.799) 6.933 9.253 ( -21.771 8.003 -2.017) 23.283 9.948 ( -3.510 4.724 1.124) 5.991 10.047 ( -3.533 6.132 -6.995) 9.951 10.243 ( -11.630 6.955 -0.331) 13.555 10.358 ( -1.848 8.380 8.142) 11.829 10.545 ( -1.634 14.538 -0.468) 14.637 10.729 ( -6.185 6.105 0.251) 8.694 10.953 ( -3.343 1.599 -1.886) 4.159 11.168 ( 7.465 18.724 3.520) 20.462 11.403 ( 0.291 4.259 4.362) 6.103 11.478 ( -3.097 -3.899 -6.184) 7.939 11.859 ( -3.114 -12.573 -6.934) 14.692 12.350 ( -8.951 -8.267 6.077) 13.616 14.052 ( 0.020 2.722 2.862) 3.950 14.303 ( 4.159 -0.677 -4.239) 5.977 14.388 ( 4.648 2.335 -2.190) 5.643 14.536 ( 0.109 2.097 -1.709) 2.707 14.689 ( -3.323 -3.910 2.280) 5.615 14.905 ( -0.666 -1.711 0.674) 1.956 14.995 ( -2.289 -4.106 -1.338) 4.888 15.286 ( 5.391 -3.204 0.644) 6.304 15.354 ( -0.955 7.253 6.844) 10.018 15.543 ( 4.102 -1.352 -5.799) 7.231 15.752 ( -0.327 -2.297 1.757) 2.910 15.979 ( 1.147 -3.632 -0.595) 3.855 25.041 ( -2.006 1.132 0.042) 2.304 25.221 ( -2.135 1.199 -0.695) 2.545 25.318 ( -0.975 2.045 0.092) 2.267 25.354 ( 2.169 1.607 0.273) 2.713 25.423 ( -2.270 0.961 0.332) 2.487 25.919 ( 0.278 -3.534 -0.525) 3.584 26.129 ( -3.334 -8.667 -0.188) 9.289 26.257 ( 9.967 0.983 0.925) 10.058 26.523 ( -7.780 -4.996 0.174) 9.248 26.879 ( 8.427 -3.348 -2.000) 9.285 27.421 ( 18.052 1.369 5.793) 19.008 28.295 ( 12.067 -10.508 -5.823) 17.027 29.291 ( -3.648 -0.311 0.264) 3.670 29.309 ( -3.371 0.384 0.471) 3.425 29.781 ( -14.775 12.679 4.421) 19.965 30.002 ( -12.101 6.890 -3.609) 14.385 ======================= Grid point 274 (113/138) ======================= q-point: ( 0.45 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( -6.223 -6.597 4.464) 10.108 1.649 ( -9.320 -3.420 -3.110) 10.404 2.608 ( 8.538 -3.983 7.616) 12.114 2.660 ( 9.667 2.035 -6.606) 11.884 2.803 ( 8.005 0.113 2.934) 8.527 2.902 ( 5.320 -5.943 -0.570) 7.997 2.922 ( 7.485 -4.015 -8.185) 11.796 3.097 ( 0.287 -2.350 4.567) 5.144 3.319 ( 7.709 0.739 0.194) 7.746 3.403 ( -6.078 -3.117 -1.577) 7.011 3.475 ( 1.223 3.564 0.943) 3.884 3.489 ( 1.347 0.279 3.135) 3.424 3.643 ( 4.767 2.162 -2.451) 5.780 3.746 ( -3.676 4.850 -0.091) 6.086 3.905 ( -1.558 -3.399 -2.778) 4.658 3.968 ( 3.291 1.186 0.523) 3.537 4.277 ( 4.100 -1.261 3.289) 5.406 4.452 ( 7.823 -0.936 -0.822) 7.921 4.695 ( -2.906 1.115 -2.423) 3.945 4.830 ( 1.783 -5.218 3.423) 6.490 4.970 ( 12.835 6.392 0.131) 14.339 5.251 ( 5.345 0.898 -5.399) 7.650 5.309 ( 3.249 -1.401 -2.232) 4.184 5.369 ( 14.223 1.738 0.521) 14.339 5.528 ( 15.098 6.686 1.032) 16.545 5.560 ( 9.310 3.851 6.490) 11.985 6.056 ( 1.976 -7.399 -5.204) 9.259 6.117 ( 4.749 -13.511 0.573) 14.333 6.462 ( 4.622 -11.928 1.279) 12.856 6.522 ( 4.226 -12.524 -4.598) 13.995 6.647 ( 0.646 -4.603 10.555) 11.533 6.733 ( -0.356 2.681 0.980) 2.876 6.894 ( 2.536 -4.660 1.100) 5.418 7.018 ( 7.842 -10.081 -4.891) 13.676 7.028 ( 3.504 -15.450 -4.247) 16.402 7.190 ( 0.464 -15.454 -0.444) 15.468 7.240 ( 2.745 -0.105 2.721) 3.867 7.422 ( 4.637 -4.194 2.568) 6.759 7.525 ( 5.409 -1.120 -1.539) 5.734 7.816 ( -0.516 -3.041 -1.434) 3.402 8.083 ( 9.481 -9.913 -1.046) 13.757 8.251 ( -5.278 -4.552 2.571) 7.429 8.848 ( -5.170 9.151 -0.064) 10.511 8.962 ( -16.592 3.831 -0.715) 17.044 9.803 ( -5.899 4.223 -0.185) 7.257 9.907 ( -7.367 4.686 -2.870) 9.190 10.131 ( 3.652 2.938 -0.074) 4.688 10.213 ( 3.989 8.450 3.725) 10.059 10.303 ( 2.103 13.780 0.780) 13.961 10.513 ( -6.668 9.692 -1.207) 11.826 10.932 ( 1.530 0.391 -4.104) 4.397 10.986 ( 3.212 8.742 2.619) 9.674 11.347 ( -0.533 3.145 4.328) 5.376 11.491 ( -2.649 -2.201 -1.792) 3.882 11.999 ( -3.992 -8.081 -6.152) 10.913 12.400 ( -6.934 -6.574 5.671) 11.111 14.026 ( 1.555 1.554 2.119) 3.054 14.351 ( 4.500 1.705 -5.016) 6.951 14.388 ( 0.938 -0.532 -1.009) 1.477 14.530 ( 1.269 0.068 1.263) 1.792 14.734 ( -3.133 -5.299 0.250) 6.161 14.916 ( -0.830 -0.521 -0.838) 1.289 15.041 ( -3.782 -4.204 -0.955) 5.735 15.224 ( 0.684 6.336 5.204) 8.227 15.368 ( 5.705 0.313 0.216) 5.718 15.577 ( 2.597 0.978 -2.246) 3.571 15.806 ( 0.617 -3.401 -2.061) 4.024 16.018 ( -1.883 -1.390 2.126) 3.162 25.020 ( -0.380 -0.005 -0.173) 0.418 25.187 ( -0.324 1.373 -0.213) 1.427 25.270 ( -0.795 2.266 0.262) 2.416 25.352 ( -0.217 0.119 0.072) 0.258 25.400 ( 1.152 1.041 0.129) 1.558 25.974 ( 0.328 -2.480 -0.361) 2.527 26.150 ( -3.417 -0.467 -0.021) 3.448 26.387 ( 4.848 -4.773 0.615) 6.831 26.520 ( -6.042 -2.827 -0.023) 6.671 26.983 ( 4.145 -1.356 -1.080) 4.493 27.538 ( 14.863 3.464 2.328) 15.438 28.535 ( 7.033 -6.360 -2.875) 9.908 29.268 ( -1.542 -0.259 0.060) 1.565 29.292 ( -2.353 -1.443 1.445) 3.115 29.477 ( -10.006 8.444 1.030) 13.133 29.833 ( -7.791 1.846 -1.209) 8.097 ======================= Grid point 275 (114/138) ======================= q-point: ( 0.55 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( -4.827 -6.927 3.992) 9.339 1.624 ( -7.308 -4.291 -4.437) 9.566 2.653 ( 3.997 6.156 9.204) 11.772 2.714 ( 6.989 3.218 -3.477) 8.444 2.790 ( 3.164 3.482 -4.875) 6.776 2.968 ( -1.224 1.560 -1.229) 2.334 3.000 ( 5.329 0.004 0.523) 5.355 3.220 ( -2.940 0.512 -1.034) 3.159 3.270 ( -3.761 -1.789 -1.817) 4.544 3.376 ( 4.848 5.808 3.727) 8.434 3.432 ( 0.682 1.876 0.404) 2.036 3.482 ( 0.775 0.631 4.086) 4.206 3.653 ( 2.757 1.481 -2.209) 3.831 3.701 ( -0.441 -1.378 -0.308) 1.479 3.942 ( 1.620 -1.615 -1.893) 2.969 4.009 ( 5.776 -1.214 -0.937) 5.976 4.310 ( 3.306 1.939 1.216) 4.021 4.507 ( 6.602 3.715 -10.005) 12.549 4.639 ( -3.918 -1.028 4.666) 6.179 4.895 ( 0.888 -1.339 3.510) 3.860 4.961 ( 7.816 6.613 4.132) 11.041 5.263 ( 5.773 3.156 -1.251) 6.698 5.322 ( 0.112 2.548 -6.672) 7.143 5.428 ( 10.553 5.839 0.320) 12.065 5.532 ( 12.935 8.370 1.892) 15.523 5.572 ( 7.335 5.556 4.383) 10.193 6.151 ( 1.218 -1.464 0.291) 1.927 6.283 ( -2.168 -2.250 -0.658) 3.193 6.554 ( 1.755 2.491 -1.362) 3.338 6.627 ( -4.147 -2.392 -5.508) 7.298 6.710 ( -2.196 0.667 7.329) 7.680 6.735 ( 1.567 -4.394 -1.091) 4.791 6.933 ( -4.817 -1.668 -1.443) 5.298 7.061 ( -6.474 9.694 1.375) 11.738 7.117 ( 0.119 0.587 1.678) 1.782 7.242 ( -2.714 -4.501 -3.151) 6.128 7.365 ( 0.362 0.678 1.078) 1.324 7.436 ( 3.563 1.824 0.946) 4.112 7.686 ( -1.892 -5.474 -0.002) 5.792 7.836 ( -4.947 -2.197 -1.096) 5.523 8.176 ( -10.656 0.856 1.050) 10.742 8.288 ( -8.402 -4.769 -1.133) 9.727 8.758 ( -2.166 1.579 -0.551) 2.736 8.804 ( -4.489 -6.936 0.575) 8.282 9.732 ( -1.075 0.490 -0.670) 1.358 9.805 ( -5.312 -1.300 -0.969) 5.554 10.087 ( 7.213 7.410 5.044) 11.506 10.164 ( 5.209 3.231 -0.574) 6.157 10.247 ( 13.198 3.431 -4.064) 14.230 10.415 ( 4.973 -2.314 -0.436) 5.502 10.899 ( 0.133 1.774 6.141) 6.393 10.988 ( 6.547 -0.435 -5.776) 8.741 11.290 ( -2.297 1.587 0.379) 2.817 11.523 ( 1.050 -2.572 3.106) 4.167 12.041 ( -6.313 -2.983 -2.457) 7.402 12.427 ( -7.865 -4.837 0.089) 9.233 14.024 ( 2.980 1.415 0.819) 3.399 14.328 ( 2.343 3.567 0.723) 4.329 14.410 ( -1.827 -0.740 -2.891) 3.499 14.544 ( 2.008 0.268 2.208) 2.996 14.786 ( -4.166 -4.250 0.058) 5.952 14.930 ( -0.204 -2.955 0.044) 2.962 15.024 ( -1.965 2.417 -2.597) 4.056 15.197 ( 0.634 -1.522 2.381) 2.896 15.390 ( 6.632 4.061 -0.273) 7.782 15.577 ( 2.653 1.416 -0.203) 3.014 15.844 ( -1.900 -0.882 -0.052) 2.095 16.000 ( -4.015 -0.421 -0.023) 4.037 25.031 ( 1.380 -0.615 -0.269) 1.535 25.171 ( 0.410 0.495 0.577) 0.864 25.240 ( -0.149 0.556 -0.311) 0.654 25.351 ( -1.257 -1.121 0.137) 1.690 25.405 ( 3.813 1.412 -0.009) 4.066 26.003 ( 0.199 -0.506 -0.017) 0.544 26.111 ( -4.830 0.162 -0.315) 4.843 26.465 ( -3.966 -3.634 0.192) 5.382 26.509 ( 0.103 0.370 0.077) 0.392 26.994 ( -0.919 1.871 -0.295) 2.105 27.593 ( 13.356 6.304 0.432) 14.776 28.590 ( -3.347 2.924 0.129) 4.446 29.265 ( -1.302 -0.396 -3.184) 3.463 29.309 ( -1.574 -1.973 0.755) 2.634 29.375 ( 2.124 -3.486 2.271) 4.671 29.789 ( -3.670 -3.161 -0.159) 4.846 ======================= Grid point 277 (115/138) ======================= q-point: (-0.36 0.09 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( -2.627 -2.812 -2.857) 4.793 1.691 ( -4.175 -8.838 1.350) 9.867 2.534 ( -0.538 8.290 8.110) 11.610 2.653 ( 6.131 12.218 -1.385) 13.740 2.716 ( -1.486 8.406 -5.606) 10.213 2.903 ( -4.348 2.414 0.289) 4.981 2.914 ( -4.996 11.666 -3.681) 13.214 3.111 ( 3.270 1.859 1.210) 3.951 3.218 ( -4.941 5.775 2.334) 7.950 3.372 ( 2.855 2.989 3.874) 5.665 3.448 ( -0.848 -4.383 -2.122) 4.943 3.512 ( -0.105 -0.983 8.867) 8.922 3.614 ( 2.519 3.597 -10.360) 11.252 3.749 ( -0.097 -3.420 1.249) 3.642 3.997 ( 5.734 0.218 -0.723) 5.784 4.092 ( 7.077 -0.238 0.288) 7.087 4.270 ( 2.614 6.326 -0.231) 6.849 4.467 ( 3.897 6.008 -13.730) 15.485 4.645 ( -1.798 -0.757 5.303) 5.651 4.879 ( -3.611 5.799 8.216) 10.685 4.907 ( 4.520 3.957 2.999) 6.715 5.227 ( -3.171 6.116 -9.885) 12.048 5.259 ( 5.851 4.886 2.846) 8.137 5.381 ( 6.056 9.502 0.259) 11.271 5.483 ( 6.523 8.431 2.004) 10.847 5.536 ( 11.040 8.615 2.727) 14.267 6.110 ( -1.245 6.593 0.246) 6.714 6.156 ( -6.016 9.784 4.065) 12.184 6.407 ( -12.840 13.354 0.068) 18.526 6.559 ( -2.758 6.587 -7.521) 10.371 6.659 ( -7.261 3.251 -1.713) 8.138 6.725 ( -4.720 1.824 -1.263) 5.216 6.761 ( -12.019 11.830 1.393) 16.922 6.883 ( -5.392 1.298 -1.258) 5.687 7.058 ( -7.584 1.989 3.939) 8.774 7.180 ( -0.405 8.568 1.892) 8.784 7.292 ( -2.377 0.147 -0.975) 2.573 7.440 ( -0.014 7.972 -1.811) 8.175 7.533 ( -11.048 12.152 1.226) 16.469 7.766 ( -9.187 8.859 1.499) 12.850 7.918 ( -5.941 7.383 2.256) 9.741 8.237 ( -7.514 -0.250 -4.260) 8.642 8.817 ( 3.616 -9.038 -2.347) 10.014 9.055 ( 0.030 -18.932 2.375) 19.080 9.770 ( 0.077 -5.611 -0.101) 5.612 9.854 ( -4.297 -8.539 0.388) 9.567 10.083 ( 9.625 1.226 0.261) 9.706 10.282 ( 10.108 -6.544 -0.376) 12.048 10.351 ( 10.825 -2.848 -0.506) 11.204 10.590 ( 10.937 -5.418 -1.706) 12.324 10.931 ( 3.594 -3.489 6.568) 8.260 11.073 ( 8.009 -0.905 -5.917) 9.999 11.264 ( -1.291 -0.912 -0.995) 1.868 11.591 ( 4.217 -2.042 6.109) 7.699 11.983 ( -9.368 0.500 1.466) 9.495 12.401 ( -10.058 -2.463 -6.000) 11.968 14.038 ( 4.887 1.327 0.083) 5.064 14.293 ( 1.508 2.558 4.132) 5.088 14.361 ( -3.634 2.795 -2.815) 5.379 14.560 ( 1.590 0.249 2.259) 2.773 14.798 ( -2.789 -1.978 1.141) 3.605 14.943 ( -5.628 0.446 -3.388) 6.585 15.027 ( 4.147 -3.182 1.386) 5.408 15.227 ( -0.522 -0.816 -2.783) 2.946 15.375 ( 7.497 5.121 -0.039) 9.079 15.589 ( 3.257 0.744 1.161) 3.537 15.789 ( -4.510 2.911 4.019) 6.706 15.963 ( -5.941 -0.369 -3.864) 7.097 25.060 ( 2.514 -0.545 -0.461) 2.614 25.176 ( -0.202 -0.797 1.274) 1.517 25.255 ( 0.935 -2.007 -0.586) 2.291 25.368 ( -0.882 -2.182 -0.113) 2.357 25.425 ( 6.013 1.733 0.063) 6.258 25.986 ( -3.629 0.937 0.546) 3.787 26.063 ( -3.020 0.596 -0.929) 3.215 26.444 ( -8.665 -1.652 -0.025) 8.821 26.497 ( 2.927 3.231 0.072) 4.361 26.905 ( -5.217 5.162 0.226) 7.343 27.586 ( 12.814 9.635 -1.179) 16.075 28.405 ( -10.947 9.202 2.345) 14.492 29.282 ( 0.665 -2.221 -2.344) 3.297 29.327 ( -0.228 -1.618 0.072) 1.636 29.574 ( 8.296 -11.811 0.302) 14.437 29.863 ( -0.359 -7.923 0.774) 7.969 ======================= Grid point 278 (116/138) ======================= q-point: (-0.27 0.09 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( 2.957 -3.545 -4.557) 6.486 1.789 ( -3.105 -6.284 3.833) 7.989 2.395 ( -2.336 6.873 5.526) 9.123 2.408 ( -0.631 17.080 -4.525) 17.681 2.563 ( 0.294 9.841 -0.146) 9.846 2.650 ( -3.042 13.786 -9.236) 16.870 2.746 ( -4.409 11.264 9.131) 15.155 2.959 ( -11.928 10.425 1.745) 15.938 3.222 ( 6.589 -1.898 0.213) 6.860 3.352 ( 1.797 0.832 3.090) 3.670 3.469 ( -1.223 1.767 0.302) 2.170 3.503 ( -1.246 -2.810 -1.593) 3.462 3.623 ( 2.094 1.546 -6.434) 6.940 3.771 ( -2.230 0.616 2.154) 3.161 4.022 ( 5.891 4.581 -1.715) 7.658 4.101 ( 2.858 6.869 -2.329) 7.795 4.155 ( 2.070 9.333 4.889) 10.737 4.374 ( 0.028 7.359 -9.466) 11.990 4.576 ( -2.924 6.989 6.268) 9.833 4.706 ( -3.865 8.166 2.139) 9.284 4.842 ( 1.672 8.954 3.217) 9.660 5.057 ( -8.272 7.441 -4.926) 12.168 5.207 ( 5.351 8.259 -0.063) 9.841 5.219 ( -0.612 12.121 0.247) 12.139 5.402 ( 6.027 12.028 0.638) 13.468 5.470 ( 6.444 10.909 3.086) 13.041 5.841 ( -6.638 14.531 -3.554) 16.366 5.975 ( -3.697 12.513 5.213) 14.051 5.999 ( -14.316 15.514 4.206) 21.525 6.250 ( -17.238 11.944 -0.426) 20.976 6.357 ( -7.398 12.414 -8.043) 16.538 6.562 ( -5.092 11.776 2.286) 13.031 6.601 ( -5.898 6.861 -4.291) 10.014 6.812 ( -5.941 6.937 -3.165) 9.666 6.954 ( -5.737 11.652 6.975) 14.742 7.014 ( 0.297 6.704 0.975) 6.781 7.069 ( -11.108 16.239 -1.191) 19.711 7.140 ( -4.018 10.816 -0.004) 11.538 7.394 ( -0.223 3.233 0.231) 3.249 7.444 ( -5.369 10.584 -0.741) 11.891 7.957 ( 5.388 -5.433 1.355) 7.771 8.203 ( -5.786 -4.174 -2.458) 7.546 9.056 ( 7.818 -11.569 -1.301) 14.023 9.360 ( -3.343 -18.289 1.349) 18.641 9.884 ( 0.740 -6.397 2.879) 7.054 9.963 ( -2.249 -8.553 -0.579) 8.863 10.227 ( 7.642 -6.890 -3.338) 10.817 10.465 ( -3.306 -8.913 0.983) 9.557 10.589 ( 16.517 -10.179 -0.630) 19.412 10.785 ( 14.964 -3.988 -2.570) 15.699 11.050 ( 3.733 -4.732 4.102) 7.291 11.150 ( 3.377 -1.316 -4.862) 6.065 11.307 ( 3.725 -2.925 -0.064) 4.737 11.653 ( 8.494 2.430 8.524) 12.276 11.855 ( -11.853 2.553 3.834) 12.717 12.320 ( -14.933 -2.670 -8.294) 17.289 14.074 ( 6.614 1.208 1.543) 6.898 14.271 ( -2.787 2.256 -2.131) 4.171 14.294 ( 3.053 0.688 1.420) 3.436 14.556 ( -1.280 0.498 2.912) 3.219 14.809 ( 0.414 -0.379 0.057) 0.564 14.886 ( -3.847 -0.034 -2.386) 4.527 15.102 ( 0.614 -1.738 4.658) 5.010 15.202 ( -0.429 2.541 -6.177) 6.693 15.378 ( 7.191 3.249 -1.262) 7.991 15.594 ( 2.754 3.662 6.027) 7.571 15.709 ( -3.932 -0.155 -2.324) 4.570 15.883 ( -8.115 1.543 -1.667) 8.427 25.098 ( 2.885 -1.030 -0.985) 3.217 25.191 ( -1.601 -1.881 1.814) 3.065 25.318 ( 2.062 -3.396 -0.634) 4.023 25.405 ( -0.920 -3.186 -0.218) 3.324 25.466 ( 8.924 2.038 0.277) 9.158 25.900 ( -9.866 1.270 0.330) 9.953 26.035 ( 2.524 2.625 -0.853) 3.740 26.353 ( -6.376 3.786 0.056) 7.416 26.467 ( -0.893 1.279 0.057) 1.561 26.733 ( -7.944 7.380 0.304) 10.847 27.521 ( 13.541 13.254 -3.714) 19.308 28.105 ( -14.274 11.977 4.529) 19.176 29.339 ( 1.635 -3.000 -0.877) 3.527 29.360 ( 0.755 -2.001 0.120) 2.142 29.892 ( 9.173 -15.829 -2.559) 18.473 30.045 ( 1.675 -12.988 2.421) 13.318 ======================= Grid point 279 (117/138) ======================= q-point: (-0.18 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( 5.966 -0.561 -5.932) 8.432 1.807 ( -2.894 2.467 8.355) 9.179 2.111 ( 3.585 19.076 -7.559) 20.830 2.236 ( -6.811 11.198 6.191) 14.495 2.374 ( 0.154 10.767 -2.984) 11.174 2.424 ( -3.157 9.215 -3.740) 10.435 2.528 ( -1.010 8.149 5.139) 9.687 2.637 ( -13.241 10.840 1.480) 17.176 3.295 ( 6.461 0.085 5.997) 8.816 3.396 ( 2.472 0.710 2.395) 3.514 3.422 ( -3.846 3.208 -2.032) 5.405 3.483 ( -5.774 7.260 -12.898) 15.887 3.560 ( 1.969 2.958 -1.738) 3.956 3.625 ( -6.156 10.544 8.094) 14.649 3.888 ( 4.198 13.362 -4.479) 14.705 3.959 ( -1.871 11.435 2.355) 11.824 4.060 ( 7.366 4.925 3.642) 9.580 4.241 ( -5.892 4.343 -3.547) 8.134 4.450 ( 3.997 7.701 3.860) 9.496 4.531 ( -4.105 9.490 -4.600) 11.317 4.637 ( -0.774 14.009 -0.230) 14.032 4.777 ( -15.682 13.145 2.450) 20.608 4.983 ( -0.484 16.262 1.734) 16.362 5.051 ( -6.100 22.057 -1.215) 22.917 5.103 ( 6.020 12.137 -1.385) 13.619 5.262 ( -6.069 17.989 0.035) 18.985 5.581 ( -2.945 8.673 6.717) 11.358 5.645 ( -1.657 10.109 -8.411) 13.254 5.827 ( -0.453 9.363 5.596) 10.917 5.933 ( -13.106 11.244 -2.872) 17.506 6.167 ( 4.039 6.083 5.686) 9.255 6.292 ( -4.113 14.228 -3.640) 15.252 6.416 ( 1.029 11.235 -0.780) 11.309 6.561 ( -1.685 16.478 -3.516) 16.933 6.580 ( -10.293 16.467 0.632) 19.430 6.623 ( -5.272 19.290 1.173) 20.032 6.987 ( 1.436 6.985 1.140) 7.222 7.028 ( -2.580 2.051 -0.283) 3.308 7.353 ( 0.874 -2.412 -5.267) 5.858 7.400 ( -3.183 -4.391 4.351) 6.953 8.135 ( 6.863 -8.229 -0.585) 10.731 8.257 ( -5.426 -8.212 0.043) 9.843 9.323 ( 12.020 -8.361 -1.621) 14.732 9.554 ( -10.271 -11.713 1.672) 15.668 10.007 ( 3.891 -5.977 1.244) 7.240 10.081 ( -3.319 -7.828 0.607) 8.524 10.424 ( 6.525 -8.374 -2.012) 10.805 10.552 ( -6.973 -8.320 0.240) 10.859 10.892 ( 15.153 -5.603 -3.644) 16.561 11.010 ( 7.829 -7.467 -0.695) 10.842 11.127 ( 1.667 -1.086 -5.933) 6.258 11.184 ( -5.354 -4.681 5.174) 8.794 11.413 ( 10.413 0.302 -0.126) 10.418 11.666 ( -12.191 6.051 1.752) 13.723 11.725 ( 19.873 1.426 7.772) 21.387 12.204 ( -23.829 -5.747 -2.420) 24.631 14.118 ( 5.742 0.525 3.104) 6.549 14.212 ( -4.051 0.370 -4.099) 5.775 14.372 ( 8.789 -2.139 -0.487) 9.058 14.527 ( -4.906 -0.762 1.900) 5.317 14.806 ( 3.228 1.916 -1.196) 3.939 14.878 ( -3.601 -1.798 0.192) 4.030 15.089 ( 2.757 3.798 0.054) 4.694 15.158 ( -2.565 1.299 -0.129) 2.877 15.381 ( 5.537 4.399 0.922) 7.131 15.501 ( -3.624 6.439 -1.242) 7.493 15.732 ( 0.407 -3.523 -5.658) 6.678 15.793 ( -5.523 -0.491 5.170) 7.581 25.154 ( 3.076 -2.264 -1.462) 4.090 25.208 ( -2.634 -2.684 1.976) 4.249 25.398 ( 2.904 -3.232 -0.703) 4.402 25.450 ( -1.886 -3.574 0.050) 4.042 25.525 ( 11.124 2.792 0.576) 11.483 25.757 ( -12.185 3.201 -0.196) 12.600 26.020 ( 7.351 4.884 -0.428) 8.836 26.205 ( -7.769 5.535 -0.181) 9.541 26.437 ( -1.663 1.043 0.145) 1.969 26.530 ( -7.871 6.797 -0.037) 10.400 27.406 ( 15.823 17.287 -7.008) 24.460 27.729 ( -16.996 15.465 7.814) 24.271 29.405 ( 1.431 -2.949 -1.109) 3.460 29.409 ( 0.956 -2.868 0.883) 3.149 30.271 ( 7.629 -19.854 -4.759) 21.796 30.327 ( 1.784 -18.701 4.541) 19.327 ======================= Grid point 281 (118/138) ======================= q-point: (-0.09 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( 1.443 17.595 -16.503) 24.167 1.608 ( -1.443 17.595 16.503) 24.167 1.861 ( -4.345 21.149 -19.030) 28.780 1.861 ( 4.345 21.149 19.030) 28.780 2.310 ( -3.139 -0.521 -5.682) 6.512 2.310 ( 3.139 -0.521 5.682) 6.512 2.476 ( -2.011 -1.260 -2.804) 3.673 2.476 ( 2.011 -1.260 2.804) 3.673 3.083 ( -1.203 25.561 -35.195) 43.515 3.083 ( 1.203 25.561 35.195) 43.515 3.412 ( -9.337 -1.438 -1.806) 9.619 3.412 ( 9.337 -1.438 1.806) 9.619 3.553 ( 0.543 1.113 -6.764) 6.877 3.553 ( -0.543 1.113 6.764) 6.877 3.730 ( -2.623 9.603 -4.393) 10.881 3.730 ( 2.623 9.603 4.393) 10.881 4.101 ( -11.076 2.628 -5.147) 12.493 4.101 ( 11.076 2.628 5.147) 12.493 4.298 ( 0.746 13.945 -7.623) 15.910 4.298 ( -0.746 13.945 7.623) 15.910 4.472 ( 5.228 7.023 -5.819) 10.512 4.472 ( -5.228 7.023 5.819) 10.512 4.663 ( 0.052 18.102 -5.928) 19.048 4.663 ( -0.052 18.102 5.928) 19.048 4.949 ( -4.792 12.620 -1.489) 13.580 4.949 ( 4.792 12.620 1.489) 13.580 5.461 ( -1.438 9.829 -8.703) 13.206 5.461 ( 1.438 9.829 8.703) 13.206 5.659 ( -2.806 11.065 -3.824) 12.039 5.659 ( 2.806 11.065 3.824) 12.039 6.031 ( 2.089 14.258 -5.389) 15.385 6.031 ( -2.089 14.258 5.389) 15.385 6.276 ( -1.928 13.244 -2.146) 13.555 6.276 ( 1.928 13.244 2.146) 13.555 6.381 ( -9.165 1.598 -14.499) 17.227 6.381 ( 9.165 1.598 14.499) 17.227 6.932 ( 0.195 3.054 -6.166) 6.884 6.932 ( -0.195 3.054 6.166) 6.884 7.454 ( 2.695 -4.991 -6.776) 8.837 7.454 ( -2.695 -4.991 6.776) 8.837 8.357 ( -6.578 -10.516 1.126) 12.455 8.357 ( 6.578 -10.516 -1.126) 12.455 9.541 ( -4.728 -1.222 -9.451) 10.638 9.541 ( 4.728 -1.222 9.451) 10.638 10.135 ( -4.259 -3.248 -0.302) 5.365 10.135 ( 4.259 -3.248 0.302) 5.365 10.625 ( -4.216 -8.014 -4.765) 10.233 10.625 ( 4.216 -8.014 4.765) 10.233 11.055 ( -7.338 -0.405 0.349) 7.358 11.055 ( 7.338 -0.405 -0.349) 7.358 11.183 ( 6.603 0.167 -9.446) 11.527 11.183 ( -6.603 0.167 9.446) 11.527 11.464 ( -8.221 2.622 0.708) 8.658 11.464 ( 8.221 2.622 -0.708) 8.658 12.057 ( -28.272 -8.369 3.882) 29.739 12.057 ( 28.272 -8.369 -3.882) 29.739 14.181 ( -4.174 -2.023 -2.850) 5.444 14.181 ( 4.174 -2.023 2.850) 5.444 14.485 ( -3.595 -1.037 -4.781) 6.072 14.485 ( 3.595 -1.037 4.781) 6.072 14.825 ( -4.245 2.643 -3.359) 6.024 14.825 ( 4.245 2.643 3.359) 6.024 15.084 ( 2.651 2.108 -5.219) 6.222 15.084 ( -2.651 2.108 5.219) 6.222 15.352 ( -4.293 4.084 -11.141) 12.619 15.352 ( 4.293 4.084 11.141) 12.619 15.816 ( 1.086 -5.421 -9.869) 11.312 15.816 ( -1.086 -5.421 9.869) 11.312 25.231 ( 0.775 -3.208 -2.068) 3.895 25.231 ( -0.775 -3.208 2.068) 3.895 25.479 ( -2.326 -2.605 -0.282) 3.504 25.479 ( 2.326 -2.605 0.282) 3.504 25.567 ( -10.338 5.608 -1.172) 11.819 25.567 ( 10.338 5.608 1.172) 11.819 26.019 ( -7.659 5.449 -4.992) 10.643 26.019 ( 7.659 5.449 4.992) 10.643 26.399 ( -0.889 2.821 -0.902) 3.092 26.399 ( 0.889 2.821 0.902) 3.092 27.260 ( 3.216 19.574 -19.121) 27.552 27.260 ( -3.216 19.574 19.121) 27.552 29.463 ( 0.166 -2.898 -0.369) 2.926 29.463 ( -0.166 -2.898 0.369) 2.926 30.691 ( 1.235 -24.064 -16.151) 29.008 30.691 ( -1.235 -24.064 16.151) 29.008 ======================= Grid point 285 (119/138) ======================= q-point: ( 0.18 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( -4.339 0.000 -2.988) 5.268 1.734 ( 6.455 -0.000 -8.427) 10.615 1.804 ( 17.892 -0.000 -5.585) 18.743 1.896 ( 18.600 -0.000 19.973) 27.292 2.316 ( 5.779 -0.000 5.173) 7.757 2.439 ( 2.548 -0.000 -24.162) 24.296 2.678 ( 4.662 -0.000 -11.777) 12.667 3.008 ( 6.006 -0.000 26.193) 26.872 3.064 ( 12.114 -0.000 -25.571) 28.295 3.133 ( 11.327 -0.000 19.185) 22.279 3.263 ( 12.382 -0.000 -2.110) 12.561 3.392 ( 18.442 -0.000 15.670) 24.200 3.547 ( -1.045 0.000 -0.467) 1.144 3.694 ( 6.456 -0.000 -4.994) 8.162 3.751 ( 3.314 -0.000 -2.698) 4.273 4.055 ( 1.110 -0.000 8.079) 8.155 4.184 ( 10.666 -0.000 1.821) 10.820 4.250 ( -1.926 0.000 -2.875) 3.460 4.343 ( 0.490 -0.000 4.992) 5.016 4.444 ( 15.185 -0.000 -9.381) 17.849 4.451 ( 26.354 -0.000 1.507) 26.397 4.539 ( 19.937 -0.000 1.913) 20.029 4.825 ( 20.515 -0.000 3.898) 20.882 5.054 ( 22.113 -0.000 -5.647) 22.823 5.126 ( 7.744 -0.000 -3.256) 8.401 5.305 ( 16.316 -0.000 -1.251) 16.364 5.427 ( 27.054 -0.000 6.379) 27.795 5.491 ( 16.181 -0.000 -5.160) 16.984 5.577 ( 2.444 -0.000 4.312) 4.956 5.879 ( 12.241 -0.000 -10.457) 16.099 5.903 ( 10.992 -0.000 0.877) 11.027 5.958 ( -1.480 0.000 0.085) 1.482 6.125 ( 7.978 -0.000 1.989) 8.222 6.183 ( 17.697 -0.000 5.430) 18.512 6.251 ( 11.424 -0.000 3.262) 11.881 6.599 ( 5.714 -0.000 -2.977) 6.442 6.852 ( 2.468 -0.000 5.555) 6.078 7.419 ( 0.941 -0.000 -0.997) 1.371 7.459 ( 8.553 -0.000 -6.812) 10.934 7.614 ( 3.111 -0.000 -8.865) 9.396 8.251 ( -11.395 0.000 0.576) 11.409 8.465 ( -7.045 0.000 5.764) 9.102 9.100 ( -3.453 0.000 2.335) 4.169 9.434 ( -12.337 0.000 -0.822) 12.365 10.048 ( 3.352 -0.000 4.823) 5.873 10.353 ( -3.358 0.000 -12.604) 13.043 10.550 ( -7.144 0.000 1.787) 7.365 10.658 ( -2.704 0.000 2.750) 3.857 10.903 ( 0.369 -0.000 -3.225) 3.246 11.047 ( -1.190 0.000 1.639) 2.026 11.247 ( -4.630 0.000 1.137) 4.767 11.268 ( -0.108 0.000 -6.998) 6.998 11.454 ( -6.260 0.000 9.373) 11.271 11.572 ( -1.308 0.000 -2.152) 2.518 11.696 ( -20.610 0.000 1.140) 20.641 12.162 ( 6.917 -0.000 13.023) 14.745 14.183 ( -8.082 0.000 -1.689) 8.256 14.253 ( -3.576 0.000 -2.596) 4.419 14.407 ( 3.695 -0.000 -5.948) 7.002 14.600 ( 5.156 -0.000 6.078) 7.970 14.767 ( 5.040 -0.000 -7.970) 9.430 14.833 ( 1.912 -0.000 1.465) 2.409 14.937 ( -4.073 0.000 2.516) 4.787 15.048 ( 0.311 -0.000 1.676) 1.705 15.337 ( -0.023 0.000 9.934) 9.934 15.528 ( 9.284 -0.000 -13.150) 16.097 15.785 ( -3.731 0.000 -6.991) 7.925 15.822 ( -2.855 0.000 6.971) 7.533 25.153 ( -2.745 0.000 -1.550) 3.152 25.228 ( -4.398 0.000 0.990) 4.508 25.379 ( -0.975 0.000 2.957) 3.113 25.400 ( -2.658 0.000 -0.685) 2.745 25.524 ( 0.224 -0.000 0.512) 0.558 25.556 ( 5.648 -0.000 -5.084) 7.599 25.941 ( -1.142 0.000 5.507) 5.624 26.154 ( -4.600 0.000 -1.245) 4.765 26.483 ( 11.173 -0.000 0.663) 11.192 26.602 ( 9.301 -0.000 -3.250) 9.852 27.295 ( 31.464 -0.000 19.116) 36.816 27.666 ( 20.279 -0.000 -20.859) 29.092 29.345 ( -7.335 0.000 1.278) 7.446 29.376 ( -5.759 0.000 -0.638) 5.794 30.444 ( -25.675 0.000 22.348) 34.039 30.535 ( -25.397 0.000 -20.579) 32.688 ======================= Grid point 286 (120/138) ======================= q-point: ( 0.27 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( -11.753 -2.624 3.986) 12.685 1.704 ( -4.408 3.906 -1.045) 5.982 2.059 ( 17.589 -8.526 -3.828) 19.918 2.212 ( 17.478 -13.216 2.893) 22.103 2.408 ( 9.684 -3.433 4.291) 11.134 2.546 ( 9.258 -5.038 -14.915) 18.263 2.740 ( 6.892 -1.205 -6.744) 9.718 3.067 ( 0.107 -1.218 3.732) 3.928 3.139 ( 3.028 -3.023 -3.176) 5.329 3.250 ( 6.987 -1.822 12.834) 14.725 3.433 ( 10.288 -4.143 -5.891) 12.558 3.510 ( 0.373 -2.735 -1.516) 3.149 3.630 ( 11.896 -3.703 12.387) 17.569 3.760 ( -0.365 0.780 -4.047) 4.138 3.793 ( 13.974 0.173 -1.439) 14.049 3.968 ( -0.947 6.495 8.569) 10.794 4.191 ( -3.074 1.075 -1.704) 3.676 4.279 ( 5.756 -0.411 0.042) 5.771 4.397 ( 8.367 -3.019 2.304) 9.189 4.618 ( 17.864 0.362 -2.217) 18.005 4.784 ( 21.709 -12.238 2.866) 25.085 4.890 ( 13.454 -14.293 -5.064) 20.272 5.009 ( 13.878 -2.536 0.137) 14.109 5.251 ( 10.044 -7.199 3.127) 12.747 5.356 ( 27.259 5.523 0.162) 27.814 5.484 ( 12.788 -5.239 -8.592) 16.273 5.553 ( 14.026 -7.933 0.188) 16.115 5.628 ( 6.908 -3.086 2.917) 8.109 5.857 ( 11.688 -5.340 0.902) 12.882 5.887 ( 23.720 7.779 -6.162) 25.712 6.017 ( 5.664 -4.887 0.758) 7.519 6.099 ( 9.648 -10.270 -2.090) 14.245 6.254 ( 7.255 -6.936 0.402) 10.045 6.337 ( 12.404 -1.024 6.740) 14.154 6.475 ( 18.402 -3.741 6.773) 19.963 6.750 ( 9.475 -7.687 -5.022) 13.194 6.960 ( 13.665 -6.722 2.709) 15.468 7.393 ( 6.132 4.763 -5.093) 9.286 7.531 ( -0.700 -2.340 4.719) 5.314 7.633 ( 6.410 2.600 -11.148) 13.120 8.112 ( -6.535 4.404 2.730) 8.340 8.372 ( -5.847 4.207 2.494) 7.622 9.047 ( -6.053 0.020 2.210) 6.443 9.363 ( -15.451 -3.922 -2.376) 16.117 10.064 ( 2.213 2.085 5.431) 6.224 10.248 ( -7.368 4.178 -10.851) 13.765 10.446 ( -13.902 4.708 -0.865) 14.703 10.587 ( 0.083 4.721 5.220) 7.038 10.840 ( -2.809 3.291 -4.216) 6.041 10.964 ( -8.989 11.001 0.935) 14.237 11.134 ( -6.599 7.085 0.537) 9.697 11.263 ( -4.174 -11.132 -0.578) 11.903 11.395 ( -1.434 -5.416 -1.852) 5.901 11.515 ( 3.214 2.889 7.930) 9.031 11.849 ( -13.331 -18.989 0.195) 23.202 12.018 ( 6.267 20.841 4.040) 22.135 14.107 ( -5.802 0.352 1.841) 6.097 14.262 ( -3.297 -3.979 -3.472) 6.226 14.426 ( 4.081 1.516 -6.206) 7.581 14.629 ( 1.798 0.699 5.679) 5.998 14.758 ( 2.753 6.475 -4.872) 8.558 14.855 ( 0.466 0.455 4.009) 4.062 14.941 ( 2.386 -2.092 1.100) 3.359 15.080 ( 1.840 -4.524 -0.417) 4.902 15.384 ( 1.059 -4.212 8.185) 9.266 15.610 ( 5.697 -1.452 -9.666) 11.313 15.685 ( -4.043 4.983 -1.277) 6.542 15.868 ( 2.071 -3.219 0.318) 3.841 25.104 ( -2.510 2.300 -0.828) 3.504 25.207 ( -2.968 -1.456 0.488) 3.341 25.365 ( -1.666 0.680 0.589) 1.893 25.398 ( -2.252 -2.217 1.057) 3.332 25.459 ( 1.885 4.356 -1.498) 4.977 25.725 ( 2.042 -10.554 -2.394) 11.013 25.891 ( -1.423 1.705 2.847) 3.611 26.184 ( -7.359 -6.943 0.505) 10.130 26.524 ( 13.008 6.218 0.273) 14.420 26.756 ( 9.868 -4.446 -2.623) 11.137 27.534 ( 26.727 4.516 13.827) 30.429 27.936 ( 16.727 -9.169 -14.386) 23.892 29.276 ( -6.478 -0.172 1.661) 6.689 29.321 ( -5.174 0.058 -0.737) 5.226 30.153 ( -21.139 7.249 17.037) 28.101 30.245 ( -21.391 5.713 -15.941) 27.283 ======================= Grid point 287 (121/138) ======================= q-point: ( 0.36 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( -11.827 -5.482 6.755) 14.682 1.573 ( -10.027 1.885 -1.973) 10.392 2.364 ( 13.256 -8.800 2.298) 16.077 2.545 ( 12.215 -8.729 -2.768) 15.266 2.649 ( 14.884 -9.760 2.070) 17.919 2.723 ( 11.336 -2.710 -5.102) 12.723 2.845 ( 9.832 -2.079 -7.364) 12.459 3.068 ( -3.043 -1.291 -3.540) 4.843 3.224 ( 1.447 -4.585 4.199) 6.384 3.318 ( 0.345 -1.242 -0.771) 1.502 3.484 ( 4.699 2.001 9.541) 10.822 3.610 ( -1.079 -3.629 -3.431) 5.109 3.709 ( -1.167 0.477 -0.096) 1.264 3.811 ( 3.171 1.085 -0.974) 3.491 3.846 ( 5.410 -0.895 -1.112) 5.596 3.957 ( 8.145 -0.372 3.737) 8.969 4.172 ( -1.165 -2.171 -0.497) 2.514 4.355 ( 2.538 -4.107 4.622) 6.684 4.564 ( 9.860 -5.206 2.949) 11.534 4.789 ( 16.540 0.626 -5.248) 17.364 5.052 ( -1.137 -2.302 -2.956) 3.915 5.191 ( 17.531 -12.039 4.965) 21.838 5.261 ( 14.029 -7.289 -4.439) 16.421 5.427 ( 25.215 9.999 -3.385) 27.336 5.496 ( 6.234 -7.374 6.056) 11.398 5.681 ( 9.898 -4.265 2.092) 10.979 5.764 ( 9.497 -3.749 0.713) 10.235 5.924 ( 5.388 -22.690 -2.370) 23.441 5.957 ( 15.479 -2.440 -8.350) 17.756 6.077 ( 22.620 5.196 -1.039) 23.233 6.243 ( 9.992 -11.806 3.403) 15.837 6.385 ( 8.338 -13.094 -2.682) 15.753 6.487 ( 7.826 -11.240 2.565) 13.934 6.508 ( 3.902 -9.257 8.432) 13.115 6.707 ( 14.206 -6.591 0.005) 15.661 6.966 ( 9.539 -6.415 -3.313) 11.963 7.223 ( 14.045 1.321 0.228) 14.109 7.429 ( 12.154 -0.297 -1.442) 12.243 7.541 ( 2.445 -1.683 2.293) 3.751 7.684 ( 5.105 -2.170 -4.355) 7.052 8.011 ( 0.744 3.738 2.654) 4.645 8.237 ( -6.293 3.966 -1.236) 7.541 8.976 ( -9.987 -0.256 1.731) 10.139 9.200 ( -15.837 5.591 -1.267) 16.843 9.970 ( -10.440 5.781 0.638) 11.951 10.120 ( -2.252 6.365 -7.433) 10.041 10.198 ( -11.537 3.117 2.206) 12.153 10.502 ( 0.427 7.559 7.776) 10.853 10.701 ( -5.014 7.049 -4.034) 9.545 10.765 ( -5.085 4.684 0.166) 6.915 11.002 ( -0.239 5.848 -0.775) 5.904 11.373 ( -3.449 -4.525 0.665) 5.729 11.454 ( -1.902 0.291 4.776) 5.149 11.552 ( -2.099 -4.499 -3.117) 5.862 11.648 ( 2.433 16.271 -1.034) 16.485 12.062 ( -7.586 -13.929 1.270) 15.911 14.060 ( -2.978 0.241 3.300) 4.451 14.299 ( -1.536 -3.016 -3.342) 4.756 14.451 ( 4.208 -0.017 -5.532) 6.951 14.616 ( 0.688 2.968 1.183) 3.268 14.660 ( 1.767 5.289 2.190) 5.991 14.864 ( -0.537 -1.200 2.315) 2.662 14.967 ( 1.542 0.041 -0.083) 1.544 15.234 ( 4.955 -7.586 -0.346) 9.067 15.432 ( -0.311 1.953 4.101) 4.553 15.592 ( -0.561 1.191 0.054) 1.318 15.689 ( 2.678 -3.240 -3.677) 5.584 15.934 ( 1.372 -2.353 -1.220) 2.984 25.048 ( -1.349 1.788 -0.363) 2.270 25.206 ( -1.550 -0.793 0.114) 1.744 25.336 ( -1.274 1.166 0.621) 1.835 25.381 ( -3.693 0.940 -0.560) 3.852 25.439 ( 3.474 1.297 0.033) 3.709 25.871 ( 0.355 -2.631 -0.538) 2.709 25.933 ( -1.805 -10.865 0.452) 11.023 26.205 ( -9.557 -5.549 0.636) 11.069 26.554 ( 12.757 5.100 -0.014) 13.739 26.908 ( 8.571 -2.922 -1.552) 9.188 27.685 ( 21.794 5.244 6.814) 23.429 28.240 ( 12.583 -9.874 -7.140) 17.516 29.235 ( -4.531 -1.239 1.630) 4.972 29.277 ( -3.827 -0.062 -0.813) 3.913 29.821 ( -16.921 10.156 6.635) 20.820 29.965 ( -16.511 5.269 -5.946) 18.323 ======================= Grid point 288 (122/138) ======================= q-point: ( 0.45 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( -9.318 -7.139 5.976) 13.172 1.479 ( -11.657 -3.297 -2.593) 12.389 2.601 ( 9.608 -6.702 7.176) 13.738 2.775 ( 8.744 -2.517 -6.831) 11.378 2.821 ( 10.315 -3.331 -3.317) 11.336 2.908 ( 8.020 -2.433 5.389) 9.964 2.990 ( 10.415 -2.228 -7.413) 12.976 3.067 ( 0.866 -1.771 -2.540) 3.215 3.271 ( -5.718 -2.408 -1.326) 6.345 3.375 ( 5.114 -4.151 1.080) 6.674 3.476 ( -1.361 1.212 5.231) 5.539 3.593 ( 2.982 4.576 7.276) 9.098 3.704 ( 2.854 -0.012 -5.568) 6.257 3.794 ( -1.559 1.913 0.916) 2.632 3.875 ( 1.400 1.286 -4.222) 4.630 4.017 ( 3.637 0.313 -0.297) 3.662 4.242 ( 0.939 -4.667 -3.203) 5.737 4.455 ( 0.780 -5.311 9.778) 11.154 4.726 ( 6.382 -3.027 3.518) 7.891 4.843 ( 7.731 5.854 -7.680) 12.370 5.106 ( 2.713 -3.280 -2.803) 5.096 5.344 ( 3.764 3.475 4.223) 6.639 5.469 ( 20.594 7.158 -4.641) 22.291 5.539 ( 18.032 -1.292 3.845) 18.482 5.676 ( 12.516 -3.433 0.935) 13.012 5.842 ( 8.980 -3.995 -0.342) 9.835 5.971 ( 9.843 -9.304 4.064) 14.141 6.071 ( 24.601 12.054 -4.502) 27.763 6.289 ( 6.370 -12.165 -2.790) 14.012 6.317 ( 2.599 -16.831 -2.963) 17.286 6.549 ( 4.820 -11.990 7.216) 14.801 6.677 ( 1.035 -15.893 0.453) 15.934 6.722 ( 2.307 -13.531 3.720) 14.221 6.788 ( 7.711 -15.973 -0.867) 17.758 6.929 ( 5.419 -8.009 -3.762) 10.376 7.049 ( 6.577 3.973 -4.395) 8.852 7.257 ( 2.957 0.480 3.959) 4.965 7.509 ( 6.930 3.745 0.441) 7.889 7.596 ( 3.420 2.124 0.960) 4.139 7.771 ( -0.277 -2.276 -2.377) 3.303 8.019 ( -0.358 -2.667 2.031) 3.371 8.156 ( -3.282 -0.451 -2.182) 3.967 8.841 ( -16.007 2.596 0.358) 16.220 8.939 ( -7.897 7.810 -0.446) 11.116 9.774 ( -10.099 2.578 1.256) 10.498 9.948 ( -5.817 6.927 -3.834) 9.824 10.174 ( 3.122 -1.571 0.191) 3.500 10.375 ( 0.897 7.514 4.963) 9.050 10.540 ( -1.939 7.580 -1.213) 7.918 10.630 ( 2.593 10.970 1.675) 11.396 10.949 ( 1.037 0.443 -4.608) 4.744 11.253 ( -1.172 16.171 -1.667) 16.299 11.387 ( -2.035 3.705 2.042) 4.695 11.439 ( 0.571 -0.504 3.771) 3.847 11.765 ( -4.980 -12.902 -4.995) 14.704 12.182 ( -8.699 -9.732 3.196) 13.439 14.046 ( 0.068 -0.287 2.901) 2.916 14.331 ( -1.451 -2.686 -3.499) 4.644 14.484 ( 4.825 3.013 -3.811) 6.847 14.561 ( 2.084 2.341 -0.412) 3.162 14.641 ( -1.552 -1.525 2.806) 3.550 14.875 ( -2.446 -1.507 0.991) 3.039 14.991 ( 2.060 -1.044 0.462) 2.355 15.327 ( -1.527 5.660 0.971) 5.943 15.392 ( 5.218 -3.767 1.020) 6.515 15.616 ( 2.520 -0.666 -1.000) 2.792 15.761 ( 1.698 -2.651 -1.120) 3.342 15.964 ( -2.319 -1.626 0.143) 2.836 25.023 ( 0.374 0.556 -0.357) 0.759 25.202 ( 0.062 0.370 0.113) 0.392 25.298 ( -1.252 2.063 0.148) 2.418 25.328 ( -4.063 0.242 0.131) 4.072 25.459 ( 5.193 1.418 0.016) 5.384 25.925 ( 0.352 -3.594 -0.253) 3.620 26.063 ( -3.459 -5.603 -0.039) 6.585 26.208 ( -11.257 -7.962 0.407) 13.794 26.595 ( 11.847 4.308 0.057) 12.606 27.006 ( 4.534 -0.857 -0.822) 4.687 27.790 ( 19.078 5.697 2.877) 20.117 28.488 ( 7.680 -7.571 -3.426) 11.315 29.229 ( -2.477 -1.985 0.923) 3.306 29.251 ( -2.364 -0.416 -0.120) 2.403 29.513 ( -12.679 8.850 2.189) 15.616 29.764 ( -12.251 1.767 -1.826) 12.512 ======================= Grid point 289 (123/138) ======================= q-point: ( 0.55 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( -6.795 -8.944 4.698) 12.176 1.449 ( -10.454 -5.770 -3.491) 12.441 2.756 ( 6.500 -1.021 4.877) 8.190 2.839 ( 7.910 2.445 0.741) 8.312 2.880 ( 0.617 4.183 -1.916) 4.642 2.977 ( 4.120 -1.771 -3.075) 5.438 3.095 ( 7.726 1.223 -3.140) 8.429 3.142 ( 2.115 -3.617 2.102) 4.687 3.235 ( -5.452 0.608 -4.203) 6.911 3.441 ( -1.964 0.811 3.128) 3.782 3.469 ( -0.137 -2.686 1.130) 2.917 3.562 ( 8.560 5.492 6.749) 12.206 3.663 ( -4.410 4.296 -2.540) 6.660 3.798 ( 9.396 3.571 -3.186) 10.545 3.889 ( 0.232 -5.158 -0.962) 5.252 4.052 ( 4.808 -0.469 -2.948) 5.660 4.306 ( -1.172 -2.918 -6.795) 7.488 4.537 ( -2.666 -5.276 16.542) 17.566 4.728 ( 9.343 8.662 -9.089) 15.650 4.866 ( 2.507 -1.491 1.663) 3.358 5.133 ( 1.573 3.633 1.751) 4.329 5.303 ( -3.487 0.721 -1.316) 3.796 5.510 ( 20.336 10.162 -3.983) 23.080 5.676 ( 17.524 5.953 3.598) 18.854 5.790 ( 16.618 6.786 3.244) 18.241 5.944 ( 17.768 9.645 3.030) 20.442 6.127 ( 10.597 -0.544 -8.512) 13.603 6.198 ( 4.726 -5.997 3.209) 8.282 6.498 ( -5.158 -7.053 -6.181) 10.703 6.524 ( 3.146 -9.782 1.738) 10.422 6.690 ( 1.696 -3.291 6.464) 7.449 6.762 ( 3.829 6.256 0.759) 7.374 6.883 ( -2.144 -2.075 -0.318) 3.000 7.031 ( -0.968 -5.436 -1.678) 5.771 7.145 ( 0.494 -5.031 -5.692) 7.612 7.202 ( -0.565 -8.918 1.973) 9.151 7.239 ( 1.111 -3.491 2.307) 4.330 7.457 ( -2.260 -2.990 2.062) 4.278 7.575 ( -2.688 1.323 0.742) 3.087 7.741 ( -5.313 -1.097 -2.339) 5.908 8.038 ( -11.365 -7.624 -0.093) 13.686 8.083 ( -14.754 2.268 -0.060) 14.927 8.688 ( -6.172 -0.653 -0.464) 6.224 8.789 ( -4.576 4.388 -0.031) 6.340 9.712 ( -2.261 -0.735 3.458) 4.197 9.802 ( -3.411 4.616 -4.167) 7.092 10.248 ( 6.805 2.167 0.698) 7.176 10.326 ( 6.797 1.203 1.147) 6.998 10.435 ( 9.400 7.987 2.760) 12.640 10.488 ( 5.387 7.794 -3.240) 10.013 10.970 ( 0.860 3.112 -3.123) 4.492 11.034 ( 0.742 4.252 -0.278) 4.326 11.310 ( -1.614 2.884 4.047) 5.225 11.480 ( 0.845 -3.301 1.256) 3.631 11.885 ( -6.499 -7.652 -4.164) 10.869 12.228 ( -10.746 -7.218 2.154) 13.123 14.068 ( 3.010 -0.264 2.556) 3.958 14.357 ( -2.958 -2.667 -3.233) 5.129 14.438 ( 3.426 5.596 -1.034) 6.643 14.577 ( 2.995 0.708 1.152) 3.286 14.667 ( -3.679 -4.302 -1.028) 5.753 14.864 ( -4.596 -1.443 0.925) 4.905 15.039 ( 3.624 -1.060 0.507) 3.810 15.236 ( 0.489 3.713 0.225) 3.752 15.482 ( 5.828 -0.441 0.995) 5.929 15.637 ( 3.231 1.389 -0.949) 3.643 15.804 ( -0.497 -1.582 -1.372) 2.152 15.942 ( -5.679 -0.519 1.080) 5.804 25.037 ( 2.180 -0.585 -0.355) 2.285 25.193 ( 0.670 1.278 0.486) 1.522 25.253 ( -1.171 1.419 -0.501) 1.907 25.302 ( -3.516 -1.405 0.459) 3.814 25.490 ( 7.102 1.875 0.092) 7.346 25.985 ( 0.763 -2.268 -0.384) 2.424 26.051 ( -6.734 -0.696 0.002) 6.770 26.251 ( -10.617 -8.415 0.149) 13.549 26.634 ( 10.356 4.039 0.174) 11.117 27.017 ( -0.605 1.804 -0.299) 1.926 27.863 ( 17.618 7.040 0.904) 18.994 28.593 ( -1.727 0.166 -0.996) 2.000 29.242 ( -1.540 -0.788 -2.276) 2.859 29.249 ( -2.163 -1.940 1.387) 3.219 29.344 ( -2.325 -0.390 1.699) 2.906 29.677 ( -8.208 -3.162 -0.528) 8.812 ======================= Grid point 290 (124/138) ======================= q-point: (-0.36 0.18 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( -4.878 -8.269 4.404) 10.562 1.479 ( -6.505 -8.710 -4.824) 11.893 2.708 ( 2.933 9.707 8.274) 13.088 2.847 ( 2.094 1.634 -4.755) 5.447 2.852 ( 3.004 5.736 -1.961) 6.765 2.945 ( 1.880 7.818 -3.559) 8.794 3.035 ( -3.366 7.720 1.130) 8.497 3.177 ( -1.734 1.581 -2.182) 3.204 3.220 ( 1.772 -0.935 3.614) 4.133 3.390 ( -2.626 0.480 -4.394) 5.142 3.481 ( 1.390 1.991 11.170) 11.431 3.532 ( 4.542 4.046 -2.174) 6.460 3.656 ( 0.465 -3.779 1.518) 4.098 3.745 ( 1.382 5.767 -4.807) 7.634 4.029 ( 6.753 -3.330 2.549) 7.949 4.134 ( 6.250 -2.345 -5.329) 8.542 4.327 ( 0.111 -1.370 -8.749) 8.856 4.577 ( -4.499 -2.137 14.842) 15.656 4.687 ( 11.270 7.653 -9.091) 16.378 4.890 ( 0.280 1.037 5.468) 5.573 5.041 ( -0.667 6.467 4.972) 8.184 5.228 ( -8.264 2.013 -8.147) 11.778 5.522 ( 18.433 11.231 -3.177) 21.818 5.686 ( 16.457 12.720 3.076) 21.026 5.788 ( 16.607 11.832 1.920) 20.481 5.889 ( 15.726 15.052 6.419) 22.695 6.204 ( 4.103 3.526 0.184) 5.413 6.224 ( -0.441 3.477 -3.917) 5.256 6.451 ( -11.638 5.142 -4.011) 13.341 6.620 ( -1.591 1.910 -0.507) 2.537 6.661 ( -3.150 5.908 5.437) 8.625 6.708 ( -2.795 2.681 -6.748) 7.780 6.801 ( -6.391 3.688 1.115) 7.463 6.904 ( -8.943 10.012 0.701) 13.442 7.040 ( -6.304 4.226 3.894) 8.530 7.213 ( -0.685 -3.517 -3.739) 5.179 7.282 ( -5.230 3.172 3.082) 6.849 7.524 ( -2.764 2.673 -0.520) 3.880 7.554 ( -8.142 1.200 -0.382) 8.239 7.751 ( -4.266 -1.356 -1.153) 4.622 7.896 ( -9.012 -4.483 2.575) 10.390 8.095 ( -10.002 -8.468 -2.336) 13.312 8.720 ( -0.247 -4.312 -1.214) 4.486 8.770 ( -1.553 -9.961 1.128) 10.144 9.710 ( -0.770 -1.361 5.920) 6.122 9.743 ( -1.560 -0.606 -6.640) 6.848 10.266 ( 8.368 9.415 2.538) 12.849 10.313 ( 8.640 -1.154 0.141) 8.718 10.462 ( 8.986 3.845 -2.069) 9.990 10.581 ( 9.234 -7.688 -1.409) 12.098 10.917 ( 1.335 -0.579 2.492) 2.886 11.077 ( -0.195 -3.299 -2.934) 4.419 11.285 ( 4.484 1.131 4.629) 6.543 11.565 ( 1.835 -4.930 -0.768) 5.316 11.893 ( -6.175 -1.408 -0.530) 6.356 12.219 ( -13.004 -5.188 -1.614) 14.093 14.111 ( 5.841 0.324 2.700) 6.443 14.344 ( -4.392 0.236 -1.458) 4.634 14.386 ( 3.468 4.303 -0.908) 5.601 14.571 ( -1.323 0.934 1.357) 2.113 14.710 ( -1.615 -4.111 -2.011) 4.853 14.848 ( -5.498 -2.501 1.350) 6.189 15.086 ( 5.472 0.690 0.819) 5.576 15.211 ( 0.066 0.235 -1.716) 1.734 15.524 ( 7.276 2.973 -0.355) 7.868 15.643 ( 3.730 1.386 0.473) 4.008 15.786 ( -3.818 1.757 3.331) 5.363 15.887 ( -7.176 -0.699 -3.014) 7.814 25.077 ( 3.194 -0.741 -0.369) 3.299 25.174 ( -0.558 0.853 0.999) 1.427 25.240 ( 0.362 -0.625 -0.806) 1.083 25.306 ( -2.864 -2.588 0.205) 3.865 25.536 ( 9.218 2.075 0.244) 9.452 25.945 ( -8.451 1.400 -0.159) 8.568 26.051 ( 1.245 -1.677 -0.293) 2.109 26.264 ( -10.047 -5.113 0.013) 11.273 26.651 ( 8.630 5.138 0.076) 10.044 26.936 ( -4.951 4.497 0.028) 6.689 27.890 ( 16.337 9.320 -0.120) 18.809 28.448 ( -10.805 8.246 0.914) 13.623 29.246 ( -0.269 -2.152 -3.707) 4.295 29.277 ( -1.607 -3.084 1.279) 3.706 29.467 ( 6.250 -9.228 1.864) 11.300 29.705 ( -5.133 -7.643 -0.151) 9.207 ======================= Grid point 291 (125/138) ======================= q-point: (-0.27 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( 0.307 -7.682 -1.426) 7.819 1.594 ( -4.855 -10.213 0.644) 11.327 2.560 ( 3.139 11.538 9.794) 15.457 2.646 ( -4.541 13.989 -9.233) 17.365 2.796 ( 2.993 10.090 1.767) 10.672 2.809 ( -1.893 8.073 -7.625) 11.265 2.889 ( 4.042 9.149 5.525) 11.426 3.036 ( -8.077 8.865 0.218) 11.994 3.268 ( 5.787 -0.643 2.453) 6.318 3.363 ( -3.960 -0.109 -2.409) 4.636 3.472 ( 3.524 1.826 3.509) 5.298 3.515 ( -0.416 2.336 1.088) 2.610 3.676 ( 3.332 1.394 -5.769) 6.807 3.727 ( -2.063 -2.421 1.780) 3.645 4.116 ( 5.632 -0.026 2.492) 6.159 4.180 ( 0.312 1.189 -5.111) 5.257 4.348 ( 6.706 4.919 -0.357) 8.324 4.488 ( -4.925 7.112 -1.960) 8.870 4.675 ( 6.279 5.129 0.652) 8.134 4.793 ( -4.588 7.163 4.529) 9.637 4.968 ( 2.459 4.039 6.276) 7.858 5.081 ( -8.906 5.022 -9.030) 13.641 5.467 ( 12.495 14.046 -3.617) 19.144 5.554 ( 8.989 18.004 3.563) 20.436 5.724 ( 12.034 14.098 1.668) 18.611 5.787 ( 15.651 13.970 6.190) 21.872 6.006 ( -8.428 14.202 -3.007) 16.786 6.111 ( -16.126 15.239 1.531) 22.240 6.158 ( 2.760 9.238 -1.759) 9.801 6.295 ( -17.080 13.560 0.263) 21.810 6.499 ( -1.504 11.063 -2.534) 11.449 6.605 ( -6.126 7.631 -5.192) 11.078 6.698 ( 0.585 3.231 3.429) 4.748 6.796 ( -7.365 1.258 -1.749) 7.674 6.967 ( 0.422 0.622 4.849) 4.907 7.107 ( -14.415 7.346 -1.168) 16.221 7.215 ( -0.217 8.090 1.601) 8.249 7.250 ( -2.459 4.042 -2.040) 5.152 7.541 ( 3.962 8.673 -0.812) 9.569 7.627 ( -5.222 11.398 1.660) 12.646 7.946 ( 5.546 -2.061 1.823) 6.191 8.083 ( -7.939 -2.358 -2.845) 8.757 8.902 ( 5.081 -13.858 -1.240) 14.812 9.001 ( -4.726 -18.244 0.934) 18.869 9.774 ( 0.578 -6.440 3.551) 7.376 9.798 ( -1.835 -7.477 -3.347) 8.394 10.249 ( 7.147 1.181 -1.499) 7.398 10.348 ( -2.549 -0.900 1.035) 2.895 10.614 ( 14.878 -6.789 1.938) 16.468 10.780 ( 2.534 -8.458 -2.018) 9.057 10.987 ( 3.532 -3.533 0.755) 5.053 11.107 ( -4.599 -3.031 -2.329) 5.980 11.369 ( 12.543 -1.052 5.368) 13.684 11.632 ( -8.755 -4.779 -3.567) 10.593 11.866 ( 6.821 2.633 5.193) 8.968 12.137 ( -15.950 -1.434 -5.248) 16.853 14.164 ( 6.816 1.137 4.043) 8.006 14.275 ( -4.750 2.197 -3.429) 6.257 14.373 ( 6.620 2.393 0.030) 7.039 14.523 ( -6.618 0.305 1.131) 6.721 14.771 ( 1.379 -3.058 -1.130) 3.540 14.834 ( -4.591 -1.627 0.193) 4.874 15.127 ( 4.901 0.515 4.330) 6.560 15.201 ( -2.444 0.191 -5.283) 5.824 15.533 ( 8.538 4.424 -1.271) 9.700 15.672 ( 2.185 -0.289 -1.522) 2.678 15.687 ( -2.975 4.476 7.991) 9.630 15.817 ( -8.196 0.420 -4.415) 9.319 25.114 ( 2.794 -0.346 -0.832) 2.936 25.158 ( -1.678 -0.257 1.258) 2.113 25.283 ( 2.026 -2.973 -0.391) 3.620 25.330 ( -2.551 -3.356 -0.056) 4.216 25.600 ( 11.197 2.018 0.374) 11.384 25.824 ( -11.093 1.661 -0.226) 11.219 26.093 ( 4.606 -0.132 -0.344) 4.621 26.231 ( -9.756 -2.339 0.069) 10.033 26.627 ( 7.835 7.067 -0.066) 10.551 26.779 ( -7.542 6.899 0.191) 10.223 27.870 ( 15.609 11.427 -1.556) 19.407 28.161 ( -14.234 11.025 2.077) 18.124 29.298 ( 0.998 -3.288 -1.310) 3.678 29.316 ( -0.848 -3.039 0.491) 3.193 29.724 ( 6.830 -13.219 -0.456) 14.886 29.826 ( -3.649 -11.815 0.797) 12.391 ======================= Grid point 293 (126/138) ======================= q-point: (-0.18 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( 1.897 -7.520 -4.603) 9.019 1.700 ( -1.897 -7.520 4.603) 9.019 2.385 ( -0.811 12.363 -13.755) 18.512 2.385 ( 0.811 12.363 13.755) 18.512 2.616 ( -0.914 13.517 -8.150) 15.810 2.616 ( 0.914 13.517 8.150) 15.810 2.758 ( -7.775 13.485 -1.990) 15.693 2.758 ( 7.775 13.485 1.990) 15.693 3.334 ( 0.030 -1.100 -6.149) 6.247 3.334 ( -0.030 -1.100 6.149) 6.247 3.473 ( -1.173 0.636 -1.732) 2.187 3.473 ( 1.173 0.636 1.732) 2.187 3.695 ( 2.818 3.167 -8.445) 9.449 3.695 ( -2.818 3.167 8.445) 9.449 4.107 ( 0.326 7.152 -6.237) 9.496 4.107 ( -0.326 7.152 6.237) 9.496 4.273 ( -8.353 9.557 -6.116) 14.089 4.273 ( 8.353 9.557 6.116) 14.089 4.625 ( -3.208 7.349 -2.511) 8.403 4.625 ( 3.208 7.349 2.511) 8.403 4.890 ( -1.988 10.359 -7.751) 13.090 4.890 ( 1.988 10.359 7.751) 13.090 5.281 ( -3.660 16.181 -3.411) 16.937 5.281 ( 3.660 16.181 3.411) 16.937 5.534 ( -12.468 22.344 0.204) 25.588 5.534 ( 12.468 22.344 -0.204) 25.588 5.754 ( -6.714 10.142 -9.041) 15.155 5.754 ( 6.714 10.142 9.041) 15.155 6.020 ( -5.082 10.430 -2.330) 11.833 6.020 ( 5.082 10.430 2.330) 11.833 6.352 ( -9.496 8.835 -4.043) 13.586 6.352 ( 9.496 8.835 4.043) 13.586 6.640 ( -6.211 8.279 -1.382) 10.442 6.640 ( 6.211 8.279 1.382) 10.442 6.935 ( -0.503 14.222 -6.262) 15.547 6.935 ( 0.503 14.222 6.262) 15.547 7.074 ( -1.567 5.966 -1.502) 6.348 7.074 ( 1.567 5.966 1.502) 6.348 7.398 ( -0.164 8.012 -2.193) 8.308 7.398 ( 0.164 8.012 2.193) 8.308 8.078 ( -3.885 -5.914 -5.578) 9.010 8.078 ( 3.885 -5.914 5.578) 9.010 9.223 ( -7.607 -15.394 -0.006) 17.171 9.223 ( 7.607 -15.394 0.006) 17.171 9.917 ( -1.942 -8.259 -4.223) 9.477 9.917 ( 1.942 -8.259 4.223) 9.477 10.360 ( 1.054 -6.144 -1.870) 6.508 10.360 ( -1.054 -6.144 1.870) 6.508 10.889 ( -10.139 -9.239 -0.869) 13.744 10.889 ( 10.139 -9.239 0.869) 13.744 11.089 ( -5.327 -2.269 -3.922) 6.994 11.089 ( 5.327 -2.269 3.922) 6.994 11.546 ( -15.509 -1.729 -2.726) 15.841 11.546 ( 15.509 -1.729 2.726) 15.841 11.958 ( -18.460 2.026 -8.143) 20.278 11.958 ( 18.460 2.026 8.143) 20.278 14.192 ( -3.628 1.949 -7.637) 8.677 14.192 ( 3.628 1.949 7.637) 8.677 14.442 ( -7.573 -0.453 0.139) 7.588 14.442 ( 7.573 -0.453 -0.139) 7.588 14.826 ( -1.171 -1.377 -0.805) 1.979 14.826 ( 1.171 -1.377 0.805) 1.979 15.155 ( -3.408 1.352 -7.593) 8.432 15.155 ( 3.408 1.352 7.593) 8.432 15.542 ( -0.540 4.969 -5.578) 7.490 15.542 ( 0.540 4.969 5.578) 7.490 15.731 ( -0.944 0.009 -6.502) 6.571 15.731 ( 0.944 0.009 6.502) 6.571 25.151 ( 0.819 -1.276 -2.306) 2.759 25.151 ( -0.819 -1.276 2.306) 2.759 25.365 ( -1.146 -3.737 -1.560) 4.209 25.365 ( 1.146 -3.737 1.560) 4.209 25.680 ( -9.939 2.062 -2.110) 10.368 25.680 ( 9.939 2.062 2.110) 10.368 26.152 ( -8.322 0.993 -0.338) 8.388 26.152 ( 8.322 0.993 0.338) 8.388 26.576 ( -5.151 7.756 -2.182) 9.563 26.576 ( 5.151 7.756 2.182) 9.563 27.813 ( -0.936 13.389 -14.542) 19.790 27.813 ( 0.936 13.389 14.542) 19.790 29.361 ( 0.125 -3.123 -1.932) 3.674 29.361 ( -0.125 -3.123 1.932) 3.674 30.023 ( 0.665 -16.053 -9.710) 18.773 30.023 ( -0.665 -16.053 9.710) 18.773 ======================= Grid point 300 (127/138) ======================= q-point: ( 0.27 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( -14.688 0.000 4.373) 15.325 1.679 ( -10.462 0.000 2.412) 10.737 2.196 ( 21.621 -0.000 -12.006) 24.731 2.223 ( 16.088 -0.000 2.687) 16.310 2.462 ( 8.743 -0.000 5.700) 10.437 2.623 ( 15.454 -0.000 -13.805) 20.722 2.782 ( 6.244 -0.000 -5.335) 8.213 3.072 ( 1.799 -0.000 14.579) 14.690 3.135 ( 0.508 -0.000 -14.058) 14.067 3.307 ( 4.959 -0.000 16.024) 16.774 3.427 ( 1.350 -0.000 -13.088) 13.158 3.489 ( 1.001 -0.000 4.637) 4.744 3.704 ( 6.649 -0.000 9.501) 11.596 3.751 ( -2.975 0.000 -2.187) 3.692 3.968 ( 17.887 -0.000 -2.332) 18.038 3.970 ( -6.556 0.000 9.002) 11.136 4.156 ( -4.892 0.000 -2.083) 5.317 4.305 ( -1.544 0.000 8.319) 8.461 4.494 ( 13.821 -0.000 -5.364) 14.825 4.761 ( 14.224 -0.000 2.920) 14.521 4.829 ( 8.688 -0.000 -10.349) 13.513 4.904 ( 16.261 -0.000 1.247) 16.308 5.161 ( 14.426 -0.000 7.965) 16.479 5.283 ( 11.146 -0.000 1.391) 11.232 5.474 ( 12.886 -0.000 -14.544) 19.431 5.540 ( 6.309 -0.000 2.524) 6.795 5.709 ( 18.503 -0.000 -3.885) 18.906 5.884 ( 18.441 -0.000 5.985) 19.388 5.911 ( 13.140 -0.000 -1.341) 13.208 6.047 ( 15.039 -0.000 4.090) 15.585 6.130 ( 12.650 -0.000 1.354) 12.722 6.132 ( 24.535 -0.000 -9.727) 26.393 6.293 ( 11.632 -0.000 2.720) 11.946 6.473 ( 11.919 -0.000 13.470) 17.986 6.713 ( 30.229 -0.000 2.055) 30.298 6.773 ( 9.126 -0.000 -8.707) 12.614 7.026 ( 19.987 -0.000 -0.987) 20.012 7.485 ( -2.262 0.000 7.782) 8.105 7.498 ( 7.000 -0.000 -5.985) 9.210 7.710 ( 3.826 -0.000 -11.926) 12.524 8.069 ( -6.595 0.000 1.206) 6.704 8.411 ( 0.953 -0.000 6.383) 6.453 8.978 ( -8.952 0.000 -0.676) 8.977 9.180 ( -13.457 0.000 -0.662) 13.473 10.102 ( 0.283 -0.000 7.892) 7.897 10.163 ( -14.523 0.000 -10.808) 18.103 10.417 ( -6.557 0.000 -0.370) 6.567 10.615 ( -2.973 0.000 -0.159) 2.977 10.907 ( -0.118 0.000 -6.908) 6.909 10.932 ( -10.164 0.000 1.533) 10.279 10.989 ( -20.555 0.000 2.018) 20.654 11.116 ( -6.933 0.000 0.721) 6.970 11.425 ( 1.977 -0.000 2.889) 3.501 11.557 ( -0.843 0.000 -0.893) 1.228 11.579 ( 2.927 -0.000 8.098) 8.611 12.236 ( -0.554 0.000 1.441) 1.544 14.056 ( -4.404 0.000 4.649) 6.403 14.176 ( -4.034 0.000 -4.726) 6.213 14.483 ( 4.327 -0.000 -7.008) 8.236 14.649 ( 0.510 -0.000 5.595) 5.618 14.845 ( 2.300 -0.000 -4.627) 5.167 14.871 ( 1.598 -0.000 1.506) 2.196 14.955 ( 5.411 -0.000 4.771) 7.214 15.062 ( 1.488 -0.000 0.482) 1.564 15.343 ( 0.412 -0.000 7.993) 8.004 15.581 ( -3.555 0.000 -11.994) 12.510 15.757 ( 0.775 -0.000 -5.096) 5.155 15.867 ( 6.426 -0.000 4.056) 7.599 25.113 ( -1.330 0.000 -1.579) 2.064 25.158 ( -2.730 0.000 1.028) 2.917 25.356 ( -2.057 0.000 -0.567) 2.134 25.358 ( -1.218 0.000 2.147) 2.469 25.520 ( -0.408 0.000 0.345) 0.534 25.638 ( 2.587 -0.000 -4.093) 4.842 25.882 ( -3.872 0.000 3.174) 5.007 26.069 ( -4.097 0.000 -0.082) 4.097 26.738 ( 13.830 -0.000 3.477) 14.261 26.792 ( 10.193 -0.000 -5.192) 11.439 27.833 ( 23.272 -0.000 19.228) 30.188 28.000 ( 15.222 -0.000 -19.707) 24.902 29.213 ( -5.917 0.000 2.568) 6.451 29.273 ( -4.488 0.000 -1.224) 4.652 30.017 ( -19.426 0.000 20.042) 27.912 30.079 ( -21.309 0.000 -19.526) 28.902 ======================= Grid point 301 (128/138) ======================= q-point: ( 0.36 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( -13.783 -4.113 6.591) 15.821 1.517 ( -13.897 3.746 0.104) 14.393 2.393 ( 16.427 -3.988 0.097) 16.905 2.535 ( 15.381 -9.337 -4.303) 18.501 2.606 ( 12.277 -8.152 0.462) 14.745 2.802 ( 14.884 -2.249 -5.562) 16.047 2.873 ( 6.695 -3.300 -8.167) 11.064 3.050 ( -1.009 1.929 2.615) 3.402 3.179 ( 1.221 -3.330 -0.652) 3.607 3.309 ( -0.988 0.721 3.054) 3.290 3.498 ( -0.766 -6.394 -10.037) 11.925 3.531 ( 3.155 -0.499 9.332) 9.863 3.692 ( -4.231 0.939 -0.312) 4.346 3.783 ( 2.053 -4.495 0.628) 4.981 3.901 ( -4.205 1.540 11.668) 12.498 4.045 ( 1.134 1.070 -4.044) 4.334 4.162 ( 7.123 0.990 4.288) 8.373 4.310 ( -1.055 -2.589 6.744) 7.301 4.606 ( 9.795 -0.813 -4.175) 10.679 4.888 ( 4.979 -5.424 3.343) 8.086 4.993 ( 7.896 -4.700 -14.052) 16.790 5.127 ( 9.674 -11.496 2.699) 15.266 5.276 ( 11.815 -1.193 3.611) 12.412 5.474 ( 9.768 -5.856 6.373) 13.051 5.555 ( -0.179 -5.070 -6.045) 7.892 5.672 ( 9.005 -7.053 -2.367) 11.681 5.855 ( 10.537 -1.871 -4.044) 11.440 5.964 ( 19.658 7.221 -1.006) 20.966 6.028 ( 14.748 3.055 1.711) 15.158 6.257 ( 10.975 -1.437 1.921) 11.234 6.298 ( 18.724 -8.163 0.262) 20.428 6.395 ( 10.735 -7.993 -0.722) 13.403 6.484 ( 17.835 -0.700 4.810) 18.486 6.602 ( 23.245 3.403 4.661) 23.951 6.823 ( 17.124 8.639 -1.813) 19.265 6.967 ( 16.539 -6.544 -6.433) 18.914 7.373 ( 20.478 -4.839 3.944) 21.409 7.493 ( 0.924 -4.334 6.647) 7.989 7.548 ( 9.140 1.768 -6.159) 11.162 7.709 ( 1.709 1.433 -7.978) 8.284 8.032 ( -1.252 0.011 0.656) 1.414 8.338 ( 1.283 9.041 4.340) 10.110 8.878 ( -10.424 0.659 -1.585) 10.565 9.084 ( -13.791 -1.951 0.707) 13.946 9.941 ( -15.531 6.007 -3.081) 16.935 10.109 ( -8.053 -1.821 4.412) 9.361 10.243 ( -3.539 10.252 -4.500) 11.742 10.584 ( -2.134 2.051 3.981) 4.961 10.735 ( -8.738 4.941 -2.511) 10.348 10.772 ( -6.944 3.816 -1.558) 8.075 11.014 ( -7.375 -3.220 2.547) 8.441 11.141 ( -5.876 -12.773 -3.510) 14.491 11.399 ( 1.179 1.856 0.850) 2.357 11.577 ( 1.667 3.250 7.485) 8.329 11.698 ( -2.169 -10.638 2.067) 11.052 12.072 ( -0.876 14.379 -5.318) 15.355 14.029 ( -2.186 -0.390 6.357) 6.733 14.187 ( -3.975 -5.098 -4.377) 7.807 14.507 ( 4.692 1.639 -6.731) 8.367 14.650 ( 1.266 0.854 4.265) 4.530 14.798 ( 1.043 6.328 0.057) 6.413 14.865 ( -0.071 1.283 2.363) 2.690 15.003 ( 3.332 1.246 2.694) 4.462 15.153 ( 5.499 -7.490 -0.720) 9.320 15.410 ( 1.216 -5.577 6.254) 8.467 15.519 ( -7.771 0.853 -7.494) 10.829 15.754 ( 4.739 1.835 -3.706) 6.289 15.934 ( 3.832 -0.589 0.404) 3.898 25.074 ( -0.535 2.244 -0.608) 2.385 25.166 ( -1.388 -2.131 0.309) 2.561 25.333 ( -1.747 0.344 0.056) 1.782 25.352 ( -2.447 -0.198 0.907) 2.617 25.492 ( 1.641 1.606 -0.834) 2.443 25.737 ( -1.278 -8.909 -0.859) 9.041 25.852 ( -1.409 -0.328 0.837) 1.671 26.055 ( -5.658 -2.645 0.409) 6.259 26.784 ( 12.806 6.032 0.129) 14.156 26.943 ( 8.931 -3.091 -1.213) 9.528 27.975 ( 18.846 5.216 8.152) 21.186 28.215 ( 12.497 -7.301 -8.501) 16.785 29.173 ( -3.892 -1.039 3.128) 5.100 29.239 ( -2.971 -0.322 -1.771) 3.474 29.793 ( -16.854 5.839 8.361) 19.699 29.861 ( -17.922 2.399 -8.411) 19.942 ======================= Grid point 302 (129/138) ======================= q-point: ( 0.45 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( -9.998 -8.015 7.806) 15.005 1.338 ( -13.649 0.607 -2.877) 13.962 2.596 ( 10.198 -4.805 7.190) 13.371 2.777 ( 11.939 -6.301 -1.328) 13.565 2.899 ( 10.174 -2.560 -10.692) 14.979 2.935 ( 9.396 -5.675 0.472) 10.987 2.960 ( -1.646 -1.177 -5.421) 5.787 3.090 ( 9.636 -3.382 -3.528) 10.804 3.227 ( -0.842 -0.491 3.618) 3.747 3.324 ( 1.344 -4.455 0.368) 4.667 3.489 ( -5.091 3.123 2.522) 6.483 3.592 ( 0.191 -5.382 -0.926) 5.464 3.690 ( -0.152 -2.894 -3.781) 4.764 3.822 ( -3.193 2.396 9.543) 10.344 3.905 ( 3.837 -2.539 -3.656) 5.877 4.034 ( -1.068 -0.545 -0.826) 1.456 4.208 ( 3.943 -0.289 3.351) 5.183 4.360 ( -1.898 -4.171 6.589) 8.026 4.723 ( 6.890 -3.590 3.012) 8.333 5.001 ( -3.544 -4.120 -8.383) 9.991 5.078 ( 12.778 2.976 -7.137) 14.936 5.431 ( 1.893 -5.312 3.645) 6.715 5.459 ( 8.929 -7.429 5.463) 12.836 5.522 ( 1.920 -12.118 2.572) 12.536 5.777 ( 10.547 -4.127 -2.216) 11.541 5.893 ( 8.369 -9.258 -1.289) 12.546 6.018 ( 1.763 -11.635 -4.197) 12.494 6.086 ( 17.076 -0.521 1.587) 17.158 6.182 ( 17.180 -6.233 -2.380) 18.430 6.400 ( 8.303 -4.762 3.295) 10.123 6.518 ( 8.588 -4.696 -2.148) 10.021 6.612 ( 7.456 -3.413 7.584) 11.170 6.697 ( 20.165 -3.077 1.840) 20.481 6.723 ( 27.306 11.008 -2.347) 29.535 6.872 ( 4.741 -3.289 -4.054) 7.052 7.188 ( 10.042 -1.166 -3.836) 10.813 7.345 ( 1.209 8.204 4.648) 9.506 7.607 ( 3.606 -0.734 1.705) 4.056 7.635 ( 1.832 3.033 -2.640) 4.419 7.766 ( 6.673 -1.683 -1.762) 7.104 8.008 ( -1.852 3.246 1.098) 3.896 8.200 ( 0.229 7.036 -0.148) 7.042 8.754 ( -10.291 2.108 -1.151) 10.567 8.937 ( -12.415 3.342 1.077) 12.902 9.719 ( -10.391 2.955 0.787) 10.832 9.978 ( -10.106 3.896 -1.440) 10.926 10.171 ( 2.923 -0.168 -1.592) 3.333 10.472 ( -3.474 5.243 6.076) 8.745 10.593 ( -3.286 3.961 -2.681) 5.804 10.769 ( 4.370 -1.464 -0.386) 4.625 10.963 ( -4.937 1.558 0.766) 5.234 11.269 ( -7.392 -6.212 -0.047) 9.656 11.387 ( -1.144 -0.499 -1.888) 2.263 11.526 ( -1.307 3.578 -2.096) 4.348 11.699 ( 2.073 8.666 5.067) 10.250 11.956 ( -4.928 -5.926 -2.718) 8.173 14.032 ( 0.213 -1.173 4.854) 4.999 14.236 ( -4.195 -5.030 -2.945) 7.182 14.533 ( 4.557 0.315 -5.923) 7.479 14.640 ( 1.756 2.607 0.055) 3.144 14.688 ( 0.597 6.516 4.094) 7.718 14.845 ( -1.950 0.279 1.190) 2.302 15.017 ( 3.787 0.414 2.885) 4.778 15.339 ( 5.394 -6.729 -0.570) 8.643 15.388 ( -4.905 3.577 -3.678) 7.098 15.546 ( -1.320 -7.337 3.399) 8.193 15.782 ( 4.798 0.774 -2.510) 5.470 15.949 ( 0.085 1.055 -0.421) 1.139 25.046 ( 1.146 1.237 -0.390) 1.731 25.190 ( -0.525 -1.730 0.262) 1.827 25.302 ( -3.535 1.341 0.054) 3.781 25.311 ( -1.812 1.243 0.261) 2.213 25.519 ( 4.776 -0.565 -0.484) 4.834 25.860 ( -3.075 -5.790 2.073) 6.876 25.893 ( -0.876 -7.836 -1.552) 8.036 26.031 ( -7.416 -1.826 -0.112) 7.638 26.804 ( 11.961 5.836 -0.200) 13.310 27.040 ( 4.642 -0.460 -0.407) 4.682 28.061 ( 17.124 5.065 3.390) 18.176 28.435 ( 7.191 -7.115 -3.620) 10.744 29.174 ( -1.462 -2.030 3.109) 3.991 29.226 ( -1.060 -0.467 -2.176) 2.465 29.526 ( -13.629 7.750 1.232) 15.727 29.665 ( -14.282 1.964 -1.379) 14.483 ======================= Grid point 303 (130/138) ======================= q-point: ( 0.55 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( -5.813 -9.089 6.606) 12.651 1.254 ( -10.661 -4.790 -4.199) 12.419 2.760 ( 6.312 -4.757 7.316) 10.770 2.920 ( -0.069 -0.502 -4.983) 5.009 2.928 ( 3.816 1.306 -1.136) 4.190 2.988 ( 6.283 -2.371 -1.081) 6.802 3.108 ( 4.841 -1.810 -3.389) 6.180 3.175 ( -0.091 0.795 -1.174) 1.421 3.234 ( 4.620 -0.777 -2.688) 5.401 3.395 ( -4.598 -0.073 1.272) 4.771 3.449 ( 4.259 -2.984 3.521) 6.280 3.674 ( 2.682 -1.510 -0.411) 3.105 3.702 ( -3.193 4.389 3.147) 6.274 3.792 ( -0.423 -5.670 -0.663) 5.725 3.934 ( 6.908 2.490 -3.995) 8.360 4.066 ( 2.011 -2.171 -1.579) 3.354 4.243 ( -0.567 -1.750 -3.546) 3.995 4.398 ( -6.232 -4.974 11.846) 14.279 4.842 ( 5.802 -2.549 10.272) 12.070 4.977 ( 3.832 4.400 -18.381) 19.285 5.142 ( 3.142 0.387 -4.007) 5.107 5.335 ( -3.651 6.145 10.462) 12.670 5.728 ( 7.579 -7.182 3.142) 10.904 5.825 ( 2.136 -16.303 -6.576) 17.708 5.904 ( 16.360 0.997 2.641) 16.602 6.051 ( 11.298 1.131 1.619) 11.469 6.214 ( 6.311 -6.919 -2.092) 9.596 6.319 ( 5.455 -8.167 -1.163) 9.890 6.460 ( 13.543 0.493 1.455) 13.630 6.544 ( 8.674 -2.894 -2.197) 9.404 6.682 ( 10.667 -2.967 1.836) 11.223 6.771 ( 3.418 -9.952 3.617) 11.127 6.786 ( 19.333 -0.348 -2.766) 19.533 6.922 ( 5.223 -5.058 1.425) 7.410 7.001 ( 3.027 -8.626 -3.406) 9.756 7.174 ( 5.900 7.692 -6.019) 11.411 7.255 ( -1.043 3.978 7.929) 8.932 7.463 ( -12.234 7.412 -1.218) 14.356 7.591 ( -6.422 5.881 2.567) 9.078 7.740 ( -1.099 4.642 -2.384) 5.333 7.876 ( -9.411 3.120 0.676) 9.938 8.035 ( -13.753 8.324 -1.120) 16.115 8.653 ( -2.473 0.997 0.182) 2.673 8.793 ( -6.945 2.519 -0.509) 7.405 9.672 ( -0.294 -2.361 3.223) 4.005 9.839 ( -5.618 3.459 -3.178) 7.323 10.264 ( 5.568 -5.251 -2.037) 7.920 10.384 ( -0.258 2.851 3.783) 4.745 10.571 ( 6.457 1.026 -2.352) 6.948 10.773 ( 8.678 11.620 6.207) 15.775 10.928 ( -3.413 -4.634 -2.836) 6.416 11.164 ( -6.271 9.323 -2.075) 11.426 11.362 ( -0.365 3.994 -0.016) 4.011 11.432 ( -2.220 -1.130 -4.222) 4.902 11.722 ( 1.519 -5.695 4.780) 7.589 12.005 ( -9.760 -7.009 -0.812) 12.043 14.075 ( 3.029 -1.979 3.534) 5.058 14.265 ( -4.822 -3.751 -2.460) 6.586 14.556 ( 2.477 4.004 -5.400) 7.165 14.600 ( 0.799 -0.094 0.954) 1.248 14.631 ( 1.867 2.490 2.006) 3.703 14.810 ( -4.358 0.240 0.938) 4.464 15.068 ( 5.476 -0.843 3.685) 6.654 15.281 ( -3.566 2.741 -3.641) 5.787 15.492 ( 5.290 -4.447 1.006) 6.984 15.636 ( -0.337 -4.127 0.451) 4.165 15.806 ( 2.415 0.859 -0.935) 2.729 15.905 ( -3.278 2.099 -0.007) 3.893 25.056 ( 2.976 -0.046 -0.350) 2.997 25.213 ( -0.179 -1.403 0.297) 1.445 25.237 ( -3.658 1.757 -0.037) 4.059 25.277 ( -1.473 1.142 0.169) 1.872 25.585 ( 7.763 0.195 -0.099) 7.766 25.928 ( -1.838 -5.160 0.895) 5.551 25.973 ( -7.273 -0.186 -0.873) 7.327 26.017 ( -4.529 -8.993 0.038) 10.069 26.818 ( 10.424 5.397 -0.088) 11.738 27.044 ( -0.644 2.184 -0.108) 2.280 28.139 ( 16.748 5.441 1.350) 17.661 28.556 ( -1.572 -2.666 -1.533) 3.454 29.199 ( -0.792 -1.417 2.756) 3.198 29.237 ( 1.194 -0.055 -2.639) 2.897 29.318 ( -6.548 2.442 0.471) 7.005 29.539 ( -10.832 -1.892 -0.221) 10.998 ======================= Grid point 304 (131/138) ======================= q-point: ( 0.64 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( -2.229 -9.477 5.592) 11.228 1.283 ( -5.761 -7.920 -5.082) 11.034 2.848 ( 2.503 0.868 3.477) 4.371 2.869 ( -0.434 2.647 -2.516) 3.678 2.964 ( 4.830 2.916 5.786) 8.082 3.040 ( -0.401 1.528 -6.352) 6.545 3.103 ( -0.376 2.321 -3.124) 3.910 3.141 ( -1.228 0.840 1.788) 2.326 3.283 ( 5.448 1.194 -1.138) 5.692 3.374 ( -4.133 -0.092 -0.447) 4.158 3.500 ( 2.955 0.170 8.467) 8.970 3.576 ( -4.301 2.861 -7.078) 8.762 3.712 ( 6.107 2.744 4.240) 7.925 3.806 ( -3.678 1.594 -3.468) 5.301 4.051 ( 9.346 -3.004 4.284) 10.711 4.129 ( 1.830 -2.866 -6.202) 7.073 4.279 ( 2.056 -3.968 -11.015) 11.887 4.422 ( -9.068 -6.603 15.468) 19.107 4.914 ( 7.394 2.358 8.469) 11.487 4.944 ( 4.674 4.150 -12.657) 14.116 5.111 ( -1.307 3.846 -1.828) 4.455 5.189 ( -7.412 4.756 3.944) 9.650 5.836 ( 11.944 4.133 -3.209) 13.040 5.978 ( -0.855 0.149 2.516) 2.661 6.052 ( 14.779 2.364 6.328) 16.250 6.157 ( 15.843 2.176 -0.184) 15.992 6.295 ( -5.567 -0.217 -7.766) 9.557 6.377 ( -2.981 1.870 -0.584) 3.567 6.434 ( 14.648 11.287 1.673) 18.567 6.673 ( 9.803 5.697 -0.338) 11.343 6.761 ( 7.652 3.767 -0.219) 8.532 6.821 ( -6.708 6.655 -0.845) 9.487 6.837 ( 1.841 5.596 2.198) 6.287 6.949 ( -7.539 6.515 1.610) 10.094 7.108 ( 0.160 4.991 -0.526) 5.021 7.165 ( 3.822 0.711 -2.897) 4.848 7.254 ( -7.701 1.647 4.394) 9.018 7.366 ( 1.358 -16.467 -2.117) 16.658 7.453 ( -5.556 -9.495 0.833) 11.032 7.646 ( -22.662 6.753 -0.487) 23.652 7.738 ( 0.392 -3.725 -1.137) 3.914 7.834 ( -8.050 -6.447 0.472) 10.324 8.659 ( 1.621 -1.382 -0.030) 2.130 8.712 ( -3.484 0.846 -0.173) 3.589 9.714 ( 1.541 0.158 6.472) 6.655 9.752 ( -2.020 2.543 -6.571) 7.330 10.370 ( 5.283 -1.265 -1.263) 5.577 10.416 ( 1.193 -3.057 2.442) 4.090 10.612 ( 8.226 6.280 0.333) 10.355 10.643 ( 6.111 8.422 -0.685) 10.428 10.948 ( -1.591 3.577 -3.961) 5.569 10.986 ( -4.793 -2.284 2.516) 5.875 11.352 ( 5.523 -0.169 6.824) 8.780 11.467 ( -3.930 -4.739 -7.133) 9.422 11.831 ( 3.606 -4.331 1.854) 5.933 12.003 ( -11.813 -5.629 -0.664) 13.102 14.152 ( 5.551 -1.939 3.405) 6.795 14.268 ( -5.830 -2.655 -2.919) 7.040 14.499 ( 3.215 4.565 -0.846) 5.648 14.567 ( -3.774 2.004 0.480) 4.300 14.672 ( 4.335 -1.904 -2.226) 5.231 14.766 ( -5.210 -1.064 1.896) 5.646 15.137 ( 5.438 -0.488 3.629) 6.556 15.221 ( -2.594 1.246 -3.623) 4.627 15.599 ( 6.198 -1.758 0.488) 6.461 15.677 ( -0.266 -1.138 0.152) 1.179 15.793 ( -0.356 1.935 0.125) 1.971 15.827 ( -4.961 2.062 -0.465) 5.393 25.099 ( 4.107 -0.697 -0.256) 4.173 25.180 ( -3.373 0.929 0.301) 3.512 25.232 ( 0.257 -0.808 -0.251) 0.884 25.251 ( -1.526 -0.196 0.225) 1.554 25.659 ( 10.205 1.190 0.225) 10.276 25.869 ( -10.876 0.575 -0.279) 10.895 26.021 ( 2.480 -4.057 -0.117) 4.757 26.095 ( -5.483 -6.069 0.124) 8.180 26.823 ( 8.787 5.183 -0.007) 10.202 26.960 ( -5.195 4.269 0.018) 6.724 28.192 ( 16.064 7.498 0.268) 17.730 28.462 ( -11.247 5.807 -0.058) 12.658 29.212 ( -0.821 -0.776 -4.605) 4.741 29.215 ( -1.063 -2.088 3.493) 4.206 29.390 ( 5.502 -6.802 1.428) 8.865 29.522 ( -7.705 -6.436 -0.501) 10.051 ======================= Grid point 305 (132/138) ======================= q-point: (-0.27 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( -0.899 -9.407 -5.678) 11.025 1.398 ( 0.899 -9.407 5.678) 11.025 2.784 ( -4.444 8.242 -5.939) 11.089 2.784 ( 4.444 8.242 5.939) 11.089 2.924 ( -0.794 6.324 -3.021) 7.053 2.924 ( 0.794 6.324 3.021) 7.053 3.079 ( -6.023 4.809 -1.279) 7.813 3.079 ( 6.023 4.809 1.279) 7.813 3.313 ( -4.659 0.393 -5.908) 7.534 3.313 ( 4.659 0.393 5.908) 7.534 3.531 ( -2.756 0.128 -9.728) 10.111 3.531 ( 2.756 0.128 9.728) 10.111 3.716 ( -3.191 2.650 -5.162) 6.623 3.716 ( 3.191 2.650 5.162) 6.623 4.149 ( -3.962 -1.597 -6.433) 7.722 4.149 ( 3.962 -1.597 6.433) 7.722 4.429 ( 9.758 -3.987 -12.603) 16.430 4.429 ( -9.758 -3.987 12.603) 16.430 4.874 ( 5.114 7.824 -10.793) 14.278 4.874 ( -5.114 7.824 10.793) 14.278 5.059 ( -4.640 2.657 -10.846) 12.092 5.059 ( 4.640 2.657 10.846) 12.092 5.817 ( 8.709 12.016 -7.856) 16.792 5.817 ( -8.709 12.016 7.856) 16.792 6.094 ( -14.723 10.766 -3.756) 18.622 6.094 ( 14.723 10.766 3.756) 18.622 6.205 ( -4.039 11.880 -8.214) 14.997 6.205 ( 4.039 11.880 8.214) 14.997 6.363 ( -14.319 12.128 1.652) 18.838 6.363 ( 14.319 12.128 -1.652) 18.838 6.708 ( -3.498 8.385 -2.565) 9.440 6.708 ( 3.498 8.385 2.565) 9.440 6.763 ( -4.850 3.344 -2.642) 6.456 6.763 ( 4.850 3.344 2.642) 6.456 7.087 ( -13.430 7.099 -2.195) 15.349 7.087 ( 13.430 7.099 2.195) 15.349 7.249 ( 1.129 -0.708 -4.204) 4.410 7.249 ( -1.129 -0.708 4.204) 4.410 7.642 ( -0.863 -3.389 -1.971) 4.014 7.642 ( 0.863 -3.389 1.971) 4.014 7.926 ( -6.954 -9.675 -1.277) 11.983 7.926 ( 6.954 -9.675 1.277) 11.983 8.737 ( 0.179 -7.848 -0.225) 7.853 8.737 ( -0.179 -7.848 0.225) 7.853 9.717 ( -0.944 -0.757 -8.282) 8.370 9.717 ( 0.944 -0.757 8.282) 8.370 10.377 ( -1.984 6.030 -2.232) 6.729 10.377 ( 1.984 6.030 2.232) 6.729 10.623 ( -5.067 -4.271 -1.934) 6.903 10.623 ( 5.067 -4.271 1.934) 6.903 10.988 ( -6.439 -3.417 1.119) 7.375 10.988 ( 6.439 -3.417 -1.119) 7.375 11.461 ( -10.334 -2.749 -8.424) 13.613 11.461 ( 10.334 -2.749 8.424) 13.613 11.963 ( -11.787 -2.808 -2.479) 12.368 11.963 ( 11.787 -2.808 2.479) 12.368 14.235 ( -3.832 -0.499 -8.199) 9.064 14.235 ( 3.832 -0.499 8.199) 9.064 14.479 ( -2.701 2.719 -3.259) 5.031 14.479 ( 2.701 2.719 3.259) 5.031 14.753 ( 2.015 -2.635 -2.360) 4.071 14.753 ( -2.015 -2.635 2.360) 4.071 15.179 ( -3.203 0.534 -3.850) 5.036 15.179 ( 3.203 0.534 3.850) 5.036 15.659 ( 4.474 1.545 -2.180) 5.211 15.659 ( -4.474 1.545 2.180) 5.211 15.758 ( -4.189 1.408 -5.620) 7.150 15.758 ( 4.189 1.408 5.620) 7.150 25.140 ( -0.580 0.230 -1.475) 1.601 25.140 ( 0.580 0.230 1.475) 1.601 25.259 ( 0.475 -2.119 -0.453) 2.218 25.259 ( -0.475 -2.119 0.453) 2.218 25.741 ( -9.701 1.610 -1.733) 9.985 25.741 ( 9.701 1.610 1.733) 9.985 26.116 ( -4.550 -2.911 -0.440) 5.420 26.116 ( 4.550 -2.911 0.440) 5.420 26.812 ( -4.504 5.788 -2.729) 7.825 26.812 ( 4.504 5.788 2.729) 7.825 28.196 ( -8.299 9.785 -5.024) 13.779 28.196 ( 8.299 9.785 5.024) 13.779 29.252 ( 0.615 -3.221 -3.547) 4.831 29.252 ( -0.615 -3.221 3.547) 4.831 29.593 ( -4.926 -9.940 -1.989) 11.270 29.593 ( 4.926 -9.940 1.989) 11.270 ======================= Grid point 314 (133/138) ======================= q-point: ( 0.36 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( -11.136 0.000 6.959) 13.131 1.396 ( -17.608 0.000 0.035) 17.608 2.547 ( 17.184 -0.000 0.602) 17.195 2.574 ( 14.446 -0.000 -2.480) 14.657 2.665 ( 14.914 -0.000 -1.450) 14.985 2.891 ( 4.592 -0.000 -7.818) 9.067 2.935 ( 15.207 -0.000 -4.629) 15.896 3.099 ( 0.421 -0.000 9.082) 9.092 3.117 ( -1.358 0.000 -6.378) 6.521 3.301 ( -3.729 0.000 2.658) 4.579 3.438 ( 2.081 -0.000 -15.083) 15.226 3.547 ( -0.911 0.000 7.894) 7.946 3.640 ( -8.421 0.000 -1.943) 8.643 3.753 ( 3.289 -0.000 7.340) 8.043 3.857 ( -5.826 0.000 12.506) 13.797 4.009 ( -4.907 0.000 -5.362) 7.269 4.260 ( -2.708 0.000 8.611) 9.027 4.281 ( 8.284 -0.000 4.740) 9.544 4.683 ( 6.381 -0.000 -7.828) 10.099 4.824 ( -1.718 0.000 -0.469) 1.781 5.057 ( 10.239 -0.000 -6.770) 12.274 5.079 ( 4.340 -0.000 0.897) 4.432 5.388 ( 8.159 -0.000 14.246) 16.417 5.453 ( 5.470 -0.000 -11.091) 12.366 5.568 ( 3.485 -0.000 -1.499) 3.794 5.694 ( 8.760 -0.000 -0.277) 8.764 5.899 ( 2.573 -0.000 -5.383) 5.966 6.118 ( 1.497 -0.000 5.576) 5.774 6.236 ( 19.300 -0.000 -2.385) 19.447 6.331 ( 11.154 -0.000 4.536) 12.042 6.428 ( 20.095 -0.000 5.567) 20.852 6.438 ( 10.731 -0.000 -3.539) 11.299 6.707 ( 7.506 -0.000 0.581) 7.528 6.769 ( 24.818 -0.000 -2.158) 24.912 7.040 ( 21.926 -0.000 -5.659) 22.644 7.276 ( 26.233 -0.000 0.321) 26.235 7.470 ( 2.366 -0.000 12.801) 13.018 7.486 ( 22.122 -0.000 -1.063) 22.147 7.651 ( 8.484 -0.000 -5.788) 10.271 7.737 ( 1.233 -0.000 -5.475) 5.612 8.047 ( 5.667 -0.000 -2.593) 6.232 8.445 ( -0.010 0.000 8.536) 8.536 8.796 ( -8.040 0.000 -4.805) 9.367 8.922 ( -13.196 0.000 0.810) 13.221 9.847 ( -16.260 0.000 -3.753) 16.687 9.987 ( -12.499 0.000 4.845) 13.405 10.334 ( -1.823 0.000 -2.129) 2.803 10.536 ( -5.616 0.000 -2.256) 6.052 10.664 ( -11.820 0.000 1.878) 11.968 10.734 ( -9.031 0.000 3.980) 9.869 10.900 ( -0.672 0.000 -10.941) 10.961 10.986 ( -6.489 0.000 4.791) 8.065 11.440 ( 0.301 -0.000 3.235) 3.249 11.531 ( -1.781 0.000 -1.869) 2.582 11.707 ( 8.232 -0.000 12.009) 14.560 12.159 ( -6.225 0.000 -10.222) 11.968 14.015 ( -0.612 0.000 10.633) 10.650 14.102 ( -3.259 0.000 -7.600) 8.269 14.574 ( 5.397 -0.000 -7.866) 9.539 14.673 ( 2.476 -0.000 5.455) 5.990 14.853 ( -1.527 0.000 3.180) 3.528 14.879 ( -1.056 0.000 1.568) 1.891 15.075 ( 6.213 -0.000 1.435) 6.376 15.118 ( 4.293 -0.000 -0.568) 4.330 15.347 ( -0.733 0.000 4.597) 4.655 15.466 ( -7.041 0.000 -7.810) 10.515 15.807 ( 4.351 -0.000 -1.899) 4.747 15.972 ( 3.270 -0.000 -0.290) 3.283 25.102 ( 0.188 -0.000 -1.227) 1.241 25.124 ( -0.917 0.000 1.074) 1.413 25.318 ( -1.773 0.000 -0.799) 1.944 25.333 ( -1.486 0.000 1.353) 2.010 25.516 ( 0.079 -0.000 -0.545) 0.550 25.635 ( -2.796 0.000 0.516) 2.843 25.843 ( 0.391 -0.000 -1.877) 1.917 25.996 ( -3.567 0.000 1.677) 3.941 26.973 ( 8.292 -0.000 -5.486) 9.942 26.974 ( 9.805 -0.000 4.826) 10.928 28.201 ( 14.369 -0.000 16.128) 21.600 28.246 ( 10.853 -0.000 -16.441) 19.700 29.136 ( -1.770 0.000 4.715) 5.037 29.215 ( -1.174 0.000 -3.061) 3.278 29.697 ( -14.542 0.000 14.536) 20.561 29.702 ( -17.075 0.000 -15.275) 22.910 ======================= Grid point 315 (134/138) ======================= q-point: ( 0.45 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( -4.915 -4.686 7.860) 10.387 1.209 ( -16.759 1.080 -2.659) 17.003 2.654 ( 10.049 -0.002 7.370) 12.462 2.797 ( 12.935 -6.602 2.036) 14.665 2.882 ( 8.189 -4.270 -9.922) 13.555 2.936 ( 7.085 -2.377 -13.732) 15.633 3.026 ( 4.736 2.605 3.070) 6.216 3.110 ( 7.343 -3.061 0.356) 7.963 3.179 ( -1.364 -4.201 3.565) 5.676 3.278 ( -0.347 -2.524 0.308) 2.567 3.470 ( -7.878 2.530 -0.339) 8.281 3.507 ( 1.662 -4.330 -10.681) 11.645 3.601 ( -5.464 -4.543 -0.902) 7.163 3.787 ( -6.182 -0.318 15.443) 16.638 3.872 ( 5.167 -5.072 2.711) 7.731 3.987 ( -2.732 -1.953 -3.670) 4.975 4.248 ( -0.500 -0.313 7.884) 7.906 4.319 ( 1.092 0.525 3.246) 3.465 4.741 ( 4.876 -1.400 -5.203) 7.267 4.861 ( -3.111 -5.859 -1.176) 6.737 5.168 ( 6.657 -4.391 -7.761) 11.128 5.225 ( 2.194 -11.783 2.937) 12.340 5.442 ( 5.687 -0.860 5.015) 7.631 5.532 ( -0.550 -0.198 -3.258) 3.310 5.643 ( 7.229 -7.601 3.478) 11.051 5.820 ( 3.263 -6.940 -3.691) 8.511 5.923 ( 3.660 -1.242 -3.440) 5.174 6.128 ( -2.405 -2.614 4.725) 5.912 6.347 ( 15.740 3.380 -2.698) 16.324 6.459 ( 7.980 -2.282 6.011) 10.248 6.559 ( 10.531 -3.234 -3.024) 11.424 6.689 ( 15.339 -6.503 2.790) 16.893 6.764 ( 4.871 -0.716 -0.351) 4.936 6.896 ( 12.955 3.524 -3.540) 13.885 7.247 ( 12.593 0.490 -3.506) 13.081 7.323 ( 19.719 14.382 1.139) 24.433 7.506 ( 10.362 4.907 6.018) 12.949 7.658 ( 2.832 3.301 -0.266) 4.358 7.710 ( 6.917 0.863 -2.502) 7.406 7.806 ( 8.638 -2.283 -1.630) 9.082 8.102 ( 7.972 4.367 -1.889) 9.284 8.344 ( -1.949 8.771 4.504) 10.051 8.709 ( -6.059 1.941 -4.450) 7.764 8.824 ( -12.613 -1.463 2.365) 12.916 9.673 ( -9.501 2.689 0.652) 9.896 9.868 ( -14.510 -1.222 0.149) 14.562 10.247 ( 2.060 5.053 -3.090) 6.271 10.471 ( -8.280 1.226 4.771) 9.635 10.609 ( -2.961 0.826 1.485) 3.414 10.692 ( -3.409 -6.414 -5.555) 9.145 10.899 ( -2.754 -1.872 4.300) 5.438 11.032 ( -5.684 -9.541 -4.915) 12.145 11.431 ( 2.175 1.417 2.450) 3.570 11.546 ( -3.265 -1.506 0.330) 3.611 11.760 ( 5.868 1.926 9.795) 11.579 12.003 ( -5.280 9.466 -11.172) 15.566 14.021 ( 0.814 -0.861 7.901) 7.990 14.114 ( -3.387 -4.279 -5.396) 7.675 14.606 ( 5.684 2.061 -6.987) 9.240 14.697 ( 3.362 1.247 2.959) 4.649 14.785 ( -2.471 4.911 4.872) 7.346 14.841 ( -2.591 1.719 0.995) 3.264 15.081 ( 5.104 2.409 2.210) 6.061 15.266 ( 5.735 -7.827 -0.688) 9.728 15.356 ( -8.105 0.300 -4.383) 9.219 15.420 ( -1.369 -5.140 1.125) 5.437 15.846 ( 5.157 0.919 -0.329) 5.249 15.978 ( 0.178 1.426 -1.087) 1.802 25.083 ( 1.397 1.490 -0.327) 2.068 25.146 ( -0.964 -2.044 0.318) 2.282 25.298 ( -1.645 0.762 -0.457) 1.870 25.310 ( -1.855 0.939 0.635) 2.174 25.529 ( 2.423 -1.797 -0.830) 3.128 25.672 ( -4.558 -7.274 1.676) 8.746 25.860 ( 1.737 -0.747 -2.431) 3.080 25.966 ( -3.813 -0.296 1.514) 4.113 26.991 ( 8.353 4.259 -0.794) 9.410 27.075 ( 4.225 -0.614 0.400) 4.288 28.272 ( 11.814 3.158 3.434) 12.702 28.397 ( 6.017 -4.736 -3.530) 8.432 29.144 ( 1.042 -1.228 5.721) 5.943 29.217 ( 0.821 -0.467 -4.444) 4.544 29.504 ( -12.767 4.760 -4.294) 14.286 29.560 ( -12.959 1.405 3.486) 13.493 ======================= Grid point 316 (135/138) ======================= q-point: ( 0.55 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( 0.474 -7.277 7.537) 10.488 1.083 ( -11.285 -3.195 -5.257) 12.853 2.758 ( 6.626 -2.476 9.099) 11.525 2.869 ( -4.788 -0.885 -8.864) 10.113 2.981 ( 7.583 -1.748 -1.848) 7.998 3.029 ( 2.773 1.466 0.842) 3.248 3.126 ( 8.822 -3.768 -4.760) 10.709 3.174 ( -0.457 -1.147 -1.515) 1.954 3.222 ( 0.019 -3.012 3.014) 4.261 3.341 ( -8.478 0.140 1.456) 8.603 3.458 ( 11.190 -6.149 -2.749) 13.061 3.608 ( 0.678 -6.472 -2.550) 6.989 3.664 ( -3.420 -6.673 -0.217) 7.502 3.710 ( -6.749 1.827 5.605) 8.961 3.988 ( 3.667 -2.510 -1.138) 4.587 4.021 ( 0.066 -3.855 -0.806) 3.939 4.249 ( 1.273 0.954 6.552) 6.742 4.305 ( -3.645 -0.184 0.177) 3.654 4.837 ( 4.954 -4.210 5.321) 8.401 4.924 ( -4.034 -5.309 -8.550) 10.843 5.269 ( 7.561 2.358 -8.154) 11.367 5.379 ( -4.577 0.256 8.125) 9.329 5.569 ( 2.897 -10.851 4.045) 11.937 5.582 ( 1.743 -12.211 -1.594) 12.437 5.900 ( 4.064 -13.433 -0.827) 14.058 5.976 ( -3.595 -12.398 -2.675) 13.183 6.067 ( 8.676 -8.855 -0.641) 12.414 6.191 ( -3.389 -9.002 2.180) 9.863 6.460 ( 9.962 -3.010 -5.294) 11.676 6.545 ( 1.567 -2.318 7.780) 8.268 6.735 ( 11.263 -4.764 -0.858) 12.259 6.820 ( 6.196 -0.589 -1.266) 6.351 6.906 ( 7.058 -5.268 2.119) 9.058 6.947 ( 5.532 0.639 -2.609) 6.150 7.230 ( 11.812 13.612 -3.264) 18.316 7.289 ( 5.264 4.656 0.447) 7.042 7.420 ( 0.259 12.273 1.700) 12.393 7.563 ( 4.948 11.330 1.996) 12.524 7.664 ( -1.983 8.202 0.582) 8.458 7.809 ( -2.728 4.986 -2.535) 6.224 7.985 ( 1.228 13.185 1.532) 13.330 8.112 ( -9.605 14.393 -0.874) 17.326 8.655 ( 0.465 0.037 -0.781) 0.910 8.739 ( -7.544 -0.460 0.647) 7.586 9.638 ( 2.065 -2.505 2.727) 4.240 9.771 ( -10.240 -1.939 -2.402) 10.695 10.262 ( 6.392 -1.229 -2.909) 7.129 10.385 ( -5.725 0.714 3.997) 7.019 10.623 ( 5.842 -1.845 -0.577) 6.153 10.774 ( -7.830 -6.432 -2.087) 10.346 10.938 ( 6.896 -1.187 6.971) 9.877 11.105 ( -9.051 -6.068 -6.309) 12.591 11.416 ( 3.175 4.425 2.947) 6.192 11.482 ( -3.076 5.508 -3.885) 7.409 11.753 ( 3.840 3.318 7.928) 9.413 11.850 ( -5.626 -0.004 -6.542) 8.628 14.069 ( 3.286 -2.445 4.576) 6.141 14.149 ( -4.542 -4.178 -3.409) 7.051 14.617 ( 3.831 2.384 -5.546) 7.150 14.664 ( -0.854 5.055 1.570) 5.361 14.704 ( 2.835 2.721 3.129) 5.023 14.783 ( -4.255 1.377 0.743) 4.534 15.118 ( 6.394 0.091 4.142) 7.619 15.255 ( -7.381 1.101 -5.182) 9.086 15.445 ( 4.876 -7.000 0.257) 8.535 15.518 ( -2.516 -7.175 0.692) 7.635 15.867 ( 4.036 2.172 0.637) 4.627 15.930 ( -2.207 2.906 -1.136) 3.821 25.090 ( 3.253 0.306 -0.290) 3.280 25.158 ( -3.186 -1.391 0.284) 3.488 25.261 ( -0.100 1.759 -0.009) 1.761 25.280 ( -1.543 0.911 0.072) 1.793 25.624 ( 6.198 -3.914 -0.684) 7.362 25.753 ( -6.882 -7.861 1.357) 10.535 25.900 ( 1.104 -2.483 -1.217) 2.977 25.936 ( -2.871 -0.629 0.520) 2.985 26.992 ( 7.240 4.595 -0.438) 8.586 27.074 ( -1.221 2.352 0.269) 2.663 28.343 ( 11.612 2.012 2.011) 11.956 28.485 ( -2.456 -2.925 -2.011) 4.316 29.189 ( 2.865 -1.045 4.673) 5.580 29.249 ( 2.501 -1.881 -3.910) 5.008 29.316 ( -6.136 5.682 -2.604) 8.758 29.422 ( -10.656 0.843 2.003) 10.875 ======================= Grid point 317 (136/138) ======================= q-point: ( 0.64 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( -2.990 -7.728 -7.667) 11.289 1.105 ( 2.990 -7.728 7.667) 11.289 2.854 ( -2.745 -2.173 -7.064) 7.884 2.854 ( 2.745 -2.173 7.064) 7.884 3.023 ( 0.564 0.090 -5.951) 5.978 3.023 ( -0.564 0.090 5.951) 5.978 3.166 ( 2.176 2.680 -5.615) 6.592 3.166 ( -2.176 2.680 5.615) 6.592 3.304 ( -2.008 -3.212 -2.271) 4.416 3.304 ( 2.008 -3.212 2.271) 4.416 3.585 ( -2.266 3.061 -11.719) 12.323 3.585 ( 2.266 3.061 11.719) 12.323 3.739 ( -0.660 -4.960 -4.948) 7.037 3.739 ( 0.660 -4.960 4.948) 7.037 4.073 ( 0.010 -3.174 -4.871) 5.814 4.073 ( -0.010 -3.174 4.871) 5.814 4.266 ( 1.715 -1.386 -12.285) 12.481 4.266 ( -1.715 -1.386 12.285) 12.481 4.950 ( -3.850 -2.726 -16.714) 17.367 4.950 ( 3.850 -2.726 16.714) 17.367 5.241 ( 5.950 7.222 -9.939) 13.651 5.241 ( -5.950 7.222 9.939) 13.651 5.819 ( -2.345 -12.637 -6.038) 14.201 5.819 ( 2.345 -12.637 6.038) 14.201 6.118 ( -5.195 -8.127 -2.858) 10.060 6.118 ( 5.195 -8.127 2.858) 10.060 6.285 ( -7.399 -3.771 1.668) 8.471 6.285 ( 7.399 -3.771 -1.668) 8.471 6.662 ( -0.213 -12.038 -6.508) 13.686 6.662 ( 0.213 -12.038 6.508) 13.686 6.851 ( 0.444 2.913 -1.165) 3.168 6.851 ( -0.444 2.913 1.165) 3.168 6.996 ( -4.958 1.199 -4.949) 7.107 6.996 ( 4.958 1.199 4.949) 7.107 7.122 ( -4.987 4.142 -7.971) 10.274 7.122 ( 4.987 4.142 7.971) 10.274 7.294 ( 4.134 9.028 -5.361) 11.284 7.294 ( -4.134 9.028 5.361) 11.284 7.584 ( -20.300 11.724 -0.953) 23.462 7.584 ( 20.300 11.724 0.953) 23.462 7.795 ( 3.004 8.318 -1.648) 8.996 7.795 ( -3.004 8.318 1.648) 8.996 8.685 ( -3.930 0.281 -0.573) 3.981 8.685 ( 3.930 0.281 0.573) 3.981 9.731 ( -3.290 -1.762 -6.921) 7.863 9.731 ( 3.290 -1.762 6.921) 7.863 10.355 ( 1.845 -2.758 -4.455) 5.555 10.355 ( -1.845 -2.758 4.455) 5.555 10.740 ( -3.331 -0.410 -3.336) 4.732 10.740 ( 3.331 -0.410 3.336) 4.732 11.010 ( -8.110 5.427 -7.916) 12.565 11.010 ( 8.110 5.427 7.916) 12.565 11.381 ( -2.105 0.529 -5.106) 5.549 11.381 ( 2.105 0.529 5.106) 5.549 11.823 ( -7.154 -3.812 -6.384) 10.319 11.823 ( 7.154 -3.812 6.384) 10.319 14.161 ( -3.414 -3.178 -6.423) 7.938 14.161 ( 3.414 -3.178 6.423) 7.938 14.586 ( 0.954 3.298 -6.612) 7.450 14.586 ( -0.954 3.298 6.612) 7.450 14.715 ( -1.122 0.955 -2.113) 2.576 14.715 ( 1.122 0.955 2.113) 2.576 15.185 ( -5.903 -0.224 -4.895) 7.672 15.185 ( 5.903 -0.224 4.895) 7.672 15.591 ( -3.804 -5.105 -1.066) 6.455 15.591 ( 3.804 -5.105 1.066) 6.455 15.850 ( -2.404 3.342 -0.730) 4.181 15.850 ( 2.404 3.342 0.730) 4.181 25.132 ( -4.610 -0.587 0.126) 4.649 25.132 ( 4.610 -0.587 -0.126) 4.649 25.248 ( -1.048 0.994 -0.749) 1.627 25.248 ( 1.048 0.994 0.749) 1.627 25.756 ( -9.827 -1.984 0.216) 10.028 25.756 ( 9.827 -1.984 -0.216) 10.028 25.966 ( -0.394 -4.724 -0.914) 4.828 25.966 ( 0.394 -4.724 0.914) 4.828 26.979 ( -2.483 4.499 -3.599) 6.274 26.979 ( 2.483 4.499 3.599) 6.274 28.420 ( -8.038 2.722 -4.328) 9.527 28.420 ( 8.038 2.722 4.328) 9.527 29.208 ( -1.028 1.369 -5.455) 5.717 29.208 ( 1.028 1.369 5.455) 5.717 29.357 ( -1.638 -4.033 -8.894) 9.902 29.357 ( 1.638 -4.033 8.894) 9.902 ======================= Grid point 327 (137/138) ======================= q-point: ( 0.45 0.45 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( 4.182 -0.000 7.120) 8.257 1.052 ( -16.561 0.000 -3.867) 17.006 2.757 ( 7.003 -0.000 9.080) 11.467 2.821 ( 5.885 -0.000 -1.639) 6.109 2.940 ( 4.758 -0.000 -11.445) 12.395 2.995 ( 14.060 -0.000 -9.656) 17.057 3.083 ( -1.848 0.000 5.351) 5.661 3.107 ( 2.225 -0.000 3.227) 3.919 3.173 ( 6.153 -0.000 2.067) 6.491 3.213 ( -4.619 0.000 0.525) 4.649 3.430 ( -9.051 0.000 -4.494) 10.105 3.432 ( -7.378 0.000 2.360) 7.747 3.541 ( 7.024 -0.000 -14.634) 16.233 3.709 ( -9.049 0.000 16.382) 18.715 3.881 ( 5.346 -0.000 5.397) 7.596 3.941 ( -2.108 0.000 -4.752) 5.198 4.243 ( 1.825 -0.000 7.605) 7.821 4.318 ( -3.401 0.000 -1.295) 3.640 4.762 ( 2.554 -0.000 -7.024) 7.474 4.792 ( -1.215 0.000 3.171) 3.395 5.136 ( 2.112 -0.000 1.552) 2.621 5.156 ( 0.911 -0.000 -3.307) 3.430 5.492 ( 2.590 -0.000 17.569) 17.759 5.507 ( 1.471 -0.000 -20.016) 20.070 5.681 ( 6.753 -0.000 8.266) 10.674 5.780 ( -1.596 0.000 -6.504) 6.697 5.955 ( 5.251 -0.000 -2.417) 5.781 6.064 ( -5.169 0.000 3.413) 6.194 6.482 ( 4.626 -0.000 5.971) 7.553 6.487 ( 5.604 -0.000 -3.860) 6.805 6.629 ( 8.710 -0.000 -2.096) 8.959 6.735 ( -0.307 0.000 -4.038) 4.050 6.796 ( 12.866 -0.000 5.962) 14.180 6.967 ( -2.098 0.000 -1.987) 2.889 7.416 ( 12.106 -0.000 -6.971) 13.970 7.506 ( 0.357 -0.000 8.758) 8.765 7.696 ( 11.330 -0.000 3.815) 11.955 7.720 ( 5.736 -0.000 -5.088) 7.667 7.842 ( 8.226 -0.000 0.452) 8.238 7.853 ( 8.041 -0.000 -1.075) 8.113 8.267 ( 13.305 -0.000 -3.534) 13.766 8.394 ( -3.183 0.000 5.770) 6.589 8.682 ( -5.102 0.000 -4.955) 7.112 8.692 ( -9.026 0.000 2.332) 9.322 9.622 ( -4.454 0.000 2.178) 4.958 9.716 ( -12.494 0.000 -1.371) 12.569 10.317 ( 0.411 -0.000 -2.384) 2.419 10.386 ( -7.233 0.000 2.922) 7.801 10.565 ( -0.326 0.000 -6.468) 6.477 10.605 ( -4.497 0.000 6.560) 7.954 10.882 ( -0.507 0.000 -11.031) 11.042 10.895 ( -2.685 0.000 8.808) 9.208 11.457 ( 1.396 -0.000 3.445) 3.717 11.492 ( -2.021 0.000 -2.770) 3.430 11.870 ( 7.935 -0.000 14.289) 16.344 12.021 ( -7.363 0.000 -14.549) 16.306 14.021 ( 0.701 -0.000 11.864) 11.884 14.049 ( -1.911 0.000 -10.337) 10.512 14.683 ( 5.965 -0.000 -8.450) 10.344 14.745 ( 4.032 -0.000 4.881) 6.331 14.792 ( -4.335 0.000 6.020) 7.418 14.832 ( -3.651 0.000 -0.322) 3.665 15.195 ( 6.340 -0.000 1.392) 6.491 15.214 ( 5.267 -0.000 -0.867) 5.338 15.304 ( -3.759 0.000 1.589) 4.081 15.325 ( -7.087 0.000 -4.274) 8.276 15.906 ( 5.241 -0.000 1.124) 5.360 15.982 ( -2.025 0.000 -1.699) 2.643 25.112 ( 0.598 -0.000 -1.033) 1.194 25.117 ( -0.089 0.000 1.099) 1.103 25.295 ( -0.438 0.000 -0.733) 0.853 25.304 ( -1.305 0.000 0.712) 1.486 25.527 ( 1.309 -0.000 -1.789) 2.217 25.569 ( -3.147 0.000 2.386) 3.949 25.877 ( 2.616 -0.000 -3.651) 4.492 25.932 ( -3.151 0.000 3.072) 4.401 27.091 ( 3.716 -0.000 -5.251) 6.433 27.100 ( 2.879 -0.000 5.078) 5.838 28.391 ( 4.791 -0.000 14.362) 15.140 28.396 ( 4.515 -0.000 -14.423) 15.113 29.159 ( 3.856 -0.000 8.303) 9.154 29.220 ( 0.350 -0.000 -7.732) 7.740 29.438 ( -7.963 0.000 -9.473) 12.375 29.469 ( -8.941 0.000 9.121) 12.772 ======================= Grid point 328 (138/138) ======================= q-point: ( 0.55 0.45 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( -10.029 -2.312 -6.416) 12.128 0.929 ( 10.029 -2.312 6.416) 12.128 2.809 ( -5.965 0.359 -10.570) 12.142 2.809 ( 5.965 0.359 10.570) 12.142 3.030 ( -1.734 -1.291 -3.000) 3.697 3.030 ( 1.734 -1.291 3.000) 3.697 3.128 ( 1.505 -1.599 -5.565) 5.983 3.128 ( -1.505 -1.599 5.565) 5.983 3.221 ( -2.595 -2.905 -0.714) 3.960 3.221 ( 2.595 -2.905 0.714) 3.960 3.433 ( -6.243 -6.047 -3.264) 9.284 3.433 ( 6.243 -6.047 3.264) 9.284 3.638 ( 5.217 -1.569 -15.512) 16.441 3.638 ( -5.217 -1.569 15.512) 16.441 3.952 ( -1.790 -3.435 -4.228) 5.734 3.952 ( 1.790 -3.435 4.228) 5.734 4.278 ( -3.503 -0.036 -3.985) 5.306 4.278 ( 3.503 -0.036 3.985) 5.306 4.808 ( 0.878 -3.324 -5.518) 6.501 4.808 ( -0.878 -3.324 5.518) 6.501 5.236 ( 1.158 -8.803 -3.959) 9.722 5.236 ( -1.158 -8.803 3.959) 9.722 5.514 ( -0.289 -0.418 -14.556) 14.565 5.514 ( 0.289 -0.418 14.556) 14.565 5.771 ( -5.358 -4.949 -6.152) 9.542 5.771 ( 5.358 -4.949 6.152) 9.542 6.039 ( 2.274 -3.587 -1.311) 4.445 6.039 ( -2.274 -3.587 1.311) 4.445 6.516 ( 1.502 -0.423 -5.377) 5.599 6.516 ( -1.502 -0.423 5.377) 5.599 6.732 ( -5.836 -4.048 -0.766) 7.143 6.732 ( 5.836 -4.048 0.766) 7.143 6.927 ( -7.703 -1.798 -3.172) 8.523 6.927 ( 7.703 -1.798 3.172) 8.523 7.438 ( 0.369 6.058 -9.552) 11.317 7.438 ( -0.369 6.058 9.552) 11.317 7.678 ( -6.350 8.459 -2.664) 10.908 7.678 ( 6.350 8.459 2.664) 10.908 7.851 ( -5.452 4.505 -1.670) 7.267 7.851 ( 5.452 4.505 1.670) 7.267 8.266 ( -2.789 11.087 -2.269) 11.655 8.266 ( 2.789 11.087 2.269) 11.655 8.658 ( 2.350 -1.302 -3.511) 4.421 8.658 ( -2.350 -1.302 3.511) 4.421 9.641 ( -6.024 -1.776 -3.210) 7.053 9.641 ( 6.024 -1.776 3.210) 7.053 10.326 ( 2.712 0.624 -4.138) 4.987 10.326 ( -2.712 0.624 4.138) 4.987 10.615 ( -2.818 -4.318 -3.627) 6.304 10.615 ( 2.818 -4.318 3.627) 6.304 10.927 ( -2.859 -5.070 -8.008) 9.900 10.927 ( 2.859 -5.070 8.008) 9.900 11.483 ( -2.684 -0.512 -2.292) 3.566 11.483 ( 2.684 -0.512 2.292) 3.566 11.884 ( -6.135 6.480 -12.796) 15.601 11.884 ( 6.135 6.480 12.796) 15.601 14.055 ( -1.551 -2.530 -10.486) 10.897 14.055 ( 1.551 -2.530 10.486) 10.897 14.712 ( 4.979 3.113 -6.796) 8.982 14.712 ( -4.979 3.113 6.796) 8.982 14.773 ( -3.359 1.896 -2.090) 4.386 14.773 ( 3.359 1.896 2.090) 4.386 15.203 ( -6.881 2.084 -3.669) 8.072 15.203 ( 6.881 2.084 3.669) 8.072 15.365 ( -2.769 -7.228 -0.747) 7.776 15.365 ( 2.769 -7.228 0.747) 7.776 15.939 ( -3.800 1.531 -1.617) 4.404 15.939 ( 3.800 1.531 1.617) 4.404 25.118 ( -0.811 -0.252 -0.663) 1.077 25.118 ( 0.811 -0.252 0.663) 1.077 25.285 ( 0.249 1.007 -0.510) 1.156 25.285 ( -0.249 1.007 0.510) 1.156 25.589 ( 0.272 -4.970 -1.757) 5.279 25.589 ( -0.272 -4.970 1.757) 5.279 25.904 ( 2.294 -0.119 -2.686) 3.534 25.904 ( -2.294 -0.119 2.686) 3.534 27.095 ( 0.230 1.964 -4.966) 5.345 27.095 ( -0.230 1.964 4.966) 5.345 28.424 ( -0.673 -0.815 -12.662) 12.706 28.424 ( 0.673 -0.815 12.662) 12.706 29.211 ( -4.009 -1.046 -8.722) 9.656 29.211 ( 4.009 -1.046 8.722) 9.656 29.383 ( 2.863 2.984 -6.127) 7.392 29.383 ( -2.863 2.984 6.127) 7.392 =================== 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 3/40656 10.0 592.523 832.652 992.135 -0.000 174.580 -0.000 3/40656 20.0 73.738 104.748 110.576 -0.000 14.160 -0.000 3/40656 30.0 25.940 33.752 36.164 -0.000 4.570 -0.000 3/40656 40.0 14.254 17.410 18.765 -0.000 2.371 -0.000 3/40656 50.0 9.672 11.243 12.109 -0.000 1.506 -0.000 3/40656 60.0 7.359 8.226 8.784 -0.000 1.068 -0.000 3/40656 70.0 5.996 6.499 6.844 -0.000 0.814 -0.000 3/40656 80.0 5.102 5.398 5.595 -0.000 0.651 -0.000 3/40656 90.0 4.470 4.639 4.730 -0.000 0.540 -0.000 3/40656 100.0 3.995 4.083 4.101 -0.000 0.461 -0.000 3/40656 110.0 3.624 3.658 3.624 -0.000 0.402 -0.000 3/40656 120.0 3.323 3.322 3.251 -0.000 0.357 -0.000 3/40656 130.0 3.075 3.047 2.951 -0.000 0.321 -0.000 3/40656 140.0 2.865 2.819 2.705 -0.000 0.292 -0.000 3/40656 150.0 2.685 2.626 2.500 -0.000 0.268 -0.000 3/40656 160.0 2.528 2.460 2.326 -0.000 0.248 -0.000 3/40656 170.0 2.391 2.315 2.177 -0.000 0.231 -0.000 3/40656 180.0 2.269 2.188 2.047 -0.000 0.216 -0.000 3/40656 190.0 2.161 2.075 1.933 -0.000 0.203 -0.000 3/40656 200.0 2.064 1.974 1.833 -0.000 0.192 -0.000 3/40656 210.0 1.976 1.884 1.743 -0.000 0.181 -0.000 3/40656 220.0 1.896 1.802 1.663 -0.000 0.172 -0.000 3/40656 230.0 1.823 1.727 1.590 -0.000 0.164 -0.000 3/40656 240.0 1.757 1.659 1.524 -0.000 0.157 -0.000 3/40656 250.0 1.695 1.596 1.464 -0.000 0.150 -0.000 3/40656 260.0 1.639 1.538 1.409 -0.000 0.144 -0.000 3/40656 270.0 1.586 1.485 1.359 -0.000 0.138 -0.000 3/40656 280.0 1.538 1.435 1.312 -0.000 0.133 -0.000 3/40656 290.0 1.492 1.389 1.269 -0.000 0.128 -0.000 3/40656 300.0 1.449 1.346 1.229 -0.000 0.124 -0.000 3/40656 310.0 1.409 1.306 1.191 -0.000 0.120 -0.000 3/40656 320.0 1.372 1.268 1.156 -0.000 0.116 -0.000 3/40656 330.0 1.336 1.233 1.123 -0.000 0.112 -0.000 3/40656 340.0 1.303 1.199 1.092 -0.000 0.108 -0.000 3/40656 350.0 1.271 1.167 1.063 -0.000 0.105 -0.000 3/40656 360.0 1.241 1.137 1.035 -0.000 0.102 -0.000 3/40656 370.0 1.212 1.109 1.009 -0.000 0.099 -0.000 3/40656 380.0 1.185 1.082 0.985 -0.000 0.097 -0.000 3/40656 390.0 1.159 1.056 0.961 -0.000 0.094 -0.000 3/40656 400.0 1.134 1.032 0.939 -0.000 0.092 -0.000 3/40656 410.0 1.111 1.009 0.918 -0.000 0.089 -0.000 3/40656 420.0 1.088 0.987 0.897 -0.000 0.087 -0.000 3/40656 430.0 1.066 0.965 0.878 -0.000 0.085 -0.000 3/40656 440.0 1.045 0.945 0.859 -0.000 0.083 -0.000 3/40656 450.0 1.025 0.925 0.842 -0.000 0.081 -0.000 3/40656 460.0 1.006 0.907 0.825 -0.000 0.079 -0.000 3/40656 470.0 0.987 0.889 0.809 -0.000 0.077 -0.000 3/40656 480.0 0.969 0.872 0.793 -0.000 0.076 -0.000 3/40656 490.0 0.952 0.855 0.778 -0.000 0.074 -0.000 3/40656 500.0 0.935 0.839 0.763 -0.000 0.073 -0.000 3/40656 510.0 0.919 0.824 0.750 -0.000 0.071 -0.000 3/40656 520.0 0.904 0.809 0.736 -0.000 0.070 -0.000 3/40656 530.0 0.889 0.795 0.723 -0.000 0.068 -0.000 3/40656 540.0 0.874 0.781 0.711 -0.000 0.067 -0.000 3/40656 550.0 0.860 0.768 0.699 -0.000 0.066 -0.000 3/40656 560.0 0.846 0.755 0.687 -0.000 0.065 -0.000 3/40656 570.0 0.833 0.742 0.676 -0.000 0.063 -0.000 3/40656 580.0 0.820 0.730 0.665 -0.000 0.062 -0.000 3/40656 590.0 0.808 0.719 0.654 -0.000 0.061 -0.000 3/40656 600.0 0.796 0.707 0.644 -0.000 0.060 -0.000 3/40656 610.0 0.784 0.697 0.634 -0.000 0.059 -0.000 3/40656 620.0 0.773 0.686 0.625 -0.000 0.058 -0.000 3/40656 630.0 0.762 0.676 0.615 -0.000 0.057 -0.000 3/40656 640.0 0.751 0.666 0.606 -0.000 0.056 -0.000 3/40656 650.0 0.741 0.656 0.597 -0.000 0.055 -0.000 3/40656 660.0 0.730 0.647 0.589 -0.000 0.055 -0.000 3/40656 670.0 0.721 0.637 0.581 -0.000 0.054 -0.000 3/40656 680.0 0.711 0.628 0.573 -0.000 0.053 -0.000 3/40656 690.0 0.701 0.620 0.565 -0.000 0.052 -0.000 3/40656 700.0 0.692 0.611 0.557 -0.000 0.051 -0.000 3/40656 710.0 0.683 0.603 0.550 -0.000 0.051 -0.000 3/40656 720.0 0.675 0.595 0.542 -0.000 0.050 -0.000 3/40656 730.0 0.666 0.587 0.535 -0.000 0.049 -0.000 3/40656 740.0 0.658 0.580 0.528 -0.000 0.049 -0.000 3/40656 750.0 0.650 0.572 0.522 -0.000 0.048 -0.000 3/40656 760.0 0.642 0.565 0.515 -0.000 0.047 -0.000 3/40656 770.0 0.634 0.558 0.509 -0.000 0.047 -0.000 3/40656 780.0 0.627 0.551 0.503 -0.000 0.046 -0.000 3/40656 790.0 0.619 0.545 0.497 -0.000 0.045 -0.000 3/40656 800.0 0.612 0.538 0.491 -0.000 0.045 -0.000 3/40656 810.0 0.605 0.532 0.485 -0.000 0.044 -0.000 3/40656 820.0 0.598 0.526 0.479 -0.000 0.044 -0.000 3/40656 830.0 0.592 0.519 0.474 -0.000 0.043 -0.000 3/40656 840.0 0.585 0.514 0.468 -0.000 0.043 -0.000 3/40656 850.0 0.579 0.508 0.463 -0.000 0.042 -0.000 3/40656 860.0 0.572 0.502 0.458 -0.000 0.042 -0.000 3/40656 870.0 0.566 0.496 0.453 -0.000 0.041 -0.000 3/40656 880.0 0.560 0.491 0.448 -0.000 0.041 -0.000 3/40656 890.0 0.554 0.486 0.443 -0.000 0.040 -0.000 3/40656 900.0 0.548 0.480 0.438 -0.000 0.040 -0.000 3/40656 910.0 0.543 0.475 0.434 -0.000 0.039 -0.000 3/40656 920.0 0.537 0.470 0.429 -0.000 0.039 -0.000 3/40656 930.0 0.532 0.465 0.425 -0.000 0.039 -0.000 3/40656 940.0 0.526 0.461 0.420 -0.000 0.038 -0.000 3/40656 950.0 0.521 0.456 0.416 -0.000 0.038 -0.000 3/40656 960.0 0.516 0.451 0.412 -0.000 0.037 -0.000 3/40656 970.0 0.511 0.447 0.408 -0.000 0.037 -0.000 3/40656 980.0 0.506 0.442 0.404 -0.000 0.037 -0.000 3/40656 990.0 0.501 0.438 0.400 -0.000 0.036 -0.000 3/40656 1000.0 0.496 0.434 0.396 -0.000 0.036 -0.000 3/40656 Thermal conductivity related properties were written into "kappa-m11114.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 11:31:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|