----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 11:10:49]------------------------- 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: [3 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 12 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.587883433894620 0.000000000000000 0.000000000000000 b 0.000000000000000 10.655672440000002 0.000000000000000 c -4.420947296156901 0.000000000000000 14.608894433933795 Atomic positions (fractional): *1 K 0.35523634873129 0.92275364042420 0.10433801206541 39.098 *2 K 0.67716879441079 0.65660185347901 0.92201346910519 39.098 3 K 0.67716879441079 0.84339814652099 0.42201346910519 39.098 4 K 0.64476365126871 0.42275364042420 0.39566198793459 39.098 5 K 0.35523634873129 0.57724635957580 0.60433801206541 39.098 6 K 0.32283120558921 0.34339814652099 0.07798653089481 39.098 7 K 0.64476365126871 0.07724635957580 0.89566198793459 39.098 8 K 0.32283120558921 0.15660185347901 0.57798653089481 39.098 *9 Te 0.17356799843487 0.36674374897984 0.81614185392403 127.600 10 Te 0.17356799843487 0.13325625102017 0.31614185392403 127.600 11 Te 0.82643200156513 0.86674374897983 0.68385814607597 127.600 12 Te 0.82643200156513 0.63325625102017 0.18385814607597 127.600 *13 Cl 0.15950765647841 0.87156338662107 0.89629684192165 35.453 14 Cl 0.15950765647841 0.62843661337893 0.39629684192164 35.453 15 Cl 0.84049234352159 0.12843661337893 0.10370315807836 35.453 16 Cl 0.84049234352159 0.37156338662107 0.60370315807835 35.453 *17 F 0.61614452191559 0.75700100291917 0.24164906435623 18.998 *18 F 0.12225840393374 0.27699534722772 0.39831844875093 18.998 *19 F 0.87007229389195 0.99606181042031 0.59114657004590 18.998 20 F 0.87774159606626 0.72300465277228 0.60168155124906 18.998 *21 F 0.60681668556048 0.49844226139280 0.22787408783490 18.998 *22 F 0.56602815236805 0.35859070605858 0.90648480276545 18.998 23 F 0.61614452191559 0.74299899708083 0.74164906435623 18.998 24 F 0.12992770610805 0.49606181042031 0.90885342995410 18.998 25 F 0.43397184763195 0.85859070605858 0.59351519723455 18.998 26 F 0.12225840393374 0.22300465277228 0.89831844875094 18.998 27 F 0.60681668556048 0.00155773860720 0.72787408783490 18.998 28 F 0.38385547808441 0.24299899708083 0.75835093564377 18.998 29 F 0.56602815236805 0.14140929394142 0.40648480276545 18.998 30 F 0.43397184763195 0.64140929394142 0.09351519723455 18.998 31 F 0.87007229389195 0.50393818957969 0.09114657004590 18.998 32 F 0.87774159606626 0.77699534722772 0.10168155124906 18.998 33 F 0.39318331443952 0.99844226139280 0.27212591216510 18.998 34 F 0.39318331443952 0.50155773860720 0.77212591216510 18.998 35 F 0.38385547808441 0.25700100291917 0.25835093564377 18.998 36 F 0.12992770610805 0.00393818957969 0.40885342995410 18.998 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.587883433894620 0.000000000000000 0.000000000000000 b 0.000000000000000 10.655672440000002 0.000000000000000 c -4.420947296156901 0.000000000000000 14.608894433933795 Atomic positions (fractional): *1 K 0.35523634873129 0.92275364042420 0.10433801206541 39.098 > 1 *2 K 0.67716879441079 0.65660185347901 0.92201346910519 39.098 > 2 3 K 0.67716879441079 0.84339814652099 0.42201346910519 39.098 > 3 4 K 0.64476365126871 0.42275364042420 0.39566198793459 39.098 > 4 5 K 0.35523634873129 0.57724635957580 0.60433801206541 39.098 > 5 6 K 0.32283120558921 0.34339814652099 0.07798653089481 39.098 > 6 7 K 0.64476365126871 0.07724635957580 0.89566198793459 39.098 > 7 8 K 0.32283120558921 0.15660185347901 0.57798653089481 39.098 > 8 *9 Te 0.17356799843487 0.36674374897984 0.81614185392403 127.600 > 9 10 Te 0.17356799843487 0.13325625102017 0.31614185392403 127.600 > 10 11 Te 0.82643200156513 0.86674374897983 0.68385814607597 127.600 > 11 12 Te 0.82643200156513 0.63325625102017 0.18385814607597 127.600 > 12 *13 Cl 0.15950765647841 0.87156338662107 0.89629684192165 35.453 > 13 14 Cl 0.15950765647841 0.62843661337893 0.39629684192164 35.453 > 14 15 Cl 0.84049234352159 0.12843661337893 0.10370315807836 35.453 > 15 16 Cl 0.84049234352159 0.37156338662107 0.60370315807835 35.453 > 16 *17 F 0.61614452191559 0.75700100291917 0.24164906435623 18.998 > 17 *18 F 0.12225840393374 0.27699534722772 0.39831844875093 18.998 > 18 *19 F 0.87007229389195 0.99606181042031 0.59114657004590 18.998 > 19 20 F 0.87774159606626 0.72300465277228 0.60168155124906 18.998 > 20 *21 F 0.60681668556048 0.49844226139280 0.22787408783490 18.998 > 21 *22 F 0.56602815236805 0.35859070605858 0.90648480276545 18.998 > 22 23 F 0.61614452191559 0.74299899708083 0.74164906435623 18.998 > 23 24 F 0.12992770610805 0.49606181042031 0.90885342995410 18.998 > 24 25 F 0.43397184763195 0.85859070605858 0.59351519723455 18.998 > 25 26 F 0.12225840393374 0.22300465277228 0.89831844875094 18.998 > 26 27 F 0.60681668556048 0.00155773860720 0.72787408783490 18.998 > 27 28 F 0.38385547808441 0.24299899708083 0.75835093564377 18.998 > 28 29 F 0.56602815236805 0.14140929394142 0.40648480276545 18.998 > 29 30 F 0.43397184763195 0.64140929394142 0.09351519723455 18.998 > 30 31 F 0.87007229389195 0.50393818957969 0.09114657004590 18.998 > 31 32 F 0.87774159606626 0.77699534722772 0.10168155124906 18.998 > 32 33 F 0.39318331443952 0.99844226139280 0.27212591216510 18.998 > 33 34 F 0.39318331443952 0.50155773860720 0.77212591216510 18.998 > 34 35 F 0.38385547808441 0.25700100291917 0.25835093564377 18.998 > 35 36 F 0.12992770610805 0.00393818957969 0.40885342995410 18.998 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.763650301683860 0.000000000000000 0.000000000000000 b 0.000000000000000 10.655672440000002 0.000000000000000 c -4.420947296156901 0.000000000000000 14.608894433933795 Atomic positions (fractional): *1 K 0.11841211624376 0.92275364042420 0.10433801206541 39.098 > 1 2 K 0.45174544957710 0.92275364042420 0.10433801206541 39.098 > 1 3 K 0.78507878291043 0.92275364042420 0.10433801206541 39.098 > 1 *4 K 0.22572293147026 0.65660185347901 0.92201346910519 39.098 > 2 5 K 0.55905626480360 0.65660185347901 0.92201346910519 39.098 > 2 6 K 0.89238959813693 0.65660185347901 0.92201346910519 39.098 > 2 7 K 0.22572293147026 0.84339814652099 0.42201346910519 39.098 > 3 8 K 0.55905626480360 0.84339814652099 0.42201346910519 39.098 > 3 9 K 0.89238959813693 0.84339814652099 0.42201346910519 39.098 > 3 10 K 0.21492121708957 0.42275364042420 0.39566198793459 39.098 > 4 11 K 0.54825455042290 0.42275364042420 0.39566198793459 39.098 > 4 12 K 0.88158788375624 0.42275364042420 0.39566198793459 39.098 > 4 13 K 0.11841211624376 0.57724635957580 0.60433801206541 39.098 > 5 14 K 0.45174544957710 0.57724635957580 0.60433801206541 39.098 > 5 15 K 0.78507878291043 0.57724635957580 0.60433801206541 39.098 > 5 16 K 0.10761040186307 0.34339814652099 0.07798653089481 39.098 > 6 17 K 0.44094373519640 0.34339814652099 0.07798653089481 39.098 > 6 18 K 0.77427706852974 0.34339814652099 0.07798653089481 39.098 > 6 19 K 0.21492121708957 0.07724635957580 0.89566198793459 39.098 > 7 20 K 0.54825455042290 0.07724635957580 0.89566198793459 39.098 > 7 21 K 0.88158788375624 0.07724635957580 0.89566198793459 39.098 > 7 22 K 0.10761040186307 0.15660185347901 0.57798653089481 39.098 > 8 23 K 0.44094373519640 0.15660185347901 0.57798653089481 39.098 > 8 24 K 0.77427706852974 0.15660185347901 0.57798653089481 39.098 > 8 *25 Te 0.05785599947829 0.36674374897984 0.81614185392403 127.600 > 9 26 Te 0.39118933281162 0.36674374897984 0.81614185392403 127.600 > 9 27 Te 0.72452266614496 0.36674374897984 0.81614185392403 127.600 > 9 28 Te 0.05785599947829 0.13325625102017 0.31614185392403 127.600 > 10 29 Te 0.39118933281162 0.13325625102017 0.31614185392403 127.600 > 10 30 Te 0.72452266614496 0.13325625102017 0.31614185392403 127.600 > 10 31 Te 0.27547733385504 0.86674374897983 0.68385814607597 127.600 > 11 32 Te 0.60881066718838 0.86674374897983 0.68385814607597 127.600 > 11 33 Te 0.94214400052171 0.86674374897983 0.68385814607597 127.600 > 11 34 Te 0.27547733385504 0.63325625102017 0.18385814607597 127.600 > 12 35 Te 0.60881066718838 0.63325625102017 0.18385814607597 127.600 > 12 36 Te 0.94214400052171 0.63325625102017 0.18385814607597 127.600 > 12 *37 Cl 0.05316921882614 0.87156338662107 0.89629684192165 35.453 > 13 38 Cl 0.38650255215947 0.87156338662107 0.89629684192165 35.453 > 13 39 Cl 0.71983588549280 0.87156338662107 0.89629684192165 35.453 > 13 40 Cl 0.05316921882614 0.62843661337893 0.39629684192164 35.453 > 14 41 Cl 0.38650255215947 0.62843661337893 0.39629684192164 35.453 > 14 42 Cl 0.71983588549280 0.62843661337893 0.39629684192164 35.453 > 14 43 Cl 0.28016411450720 0.12843661337893 0.10370315807836 35.453 > 15 44 Cl 0.61349744784053 0.12843661337893 0.10370315807836 35.453 > 15 45 Cl 0.94683078117386 0.12843661337893 0.10370315807836 35.453 > 15 46 Cl 0.28016411450720 0.37156338662107 0.60370315807835 35.453 > 16 47 Cl 0.61349744784053 0.37156338662107 0.60370315807835 35.453 > 16 48 Cl 0.94683078117386 0.37156338662107 0.60370315807835 35.453 > 16 *49 F 0.20538150730520 0.75700100291917 0.24164906435623 18.998 > 17 50 F 0.53871484063853 0.75700100291917 0.24164906435623 18.998 > 17 51 F 0.87204817397186 0.75700100291917 0.24164906435623 18.998 > 17 *52 F 0.04075280131125 0.27699534722772 0.39831844875093 18.998 > 18 53 F 0.37408613464458 0.27699534722772 0.39831844875093 18.998 > 18 54 F 0.70741946797791 0.27699534722772 0.39831844875093 18.998 > 18 *55 F 0.29002409796398 0.99606181042031 0.59114657004590 18.998 > 19 56 F 0.62335743129732 0.99606181042031 0.59114657004590 18.998 > 19 57 F 0.95669076463065 0.99606181042031 0.59114657004590 18.998 > 19 58 F 0.29258053202209 0.72300465277228 0.60168155124906 18.998 > 20 59 F 0.62591386535542 0.72300465277228 0.60168155124906 18.998 > 20 60 F 0.95924719868875 0.72300465277228 0.60168155124906 18.998 > 20 *61 F 0.20227222852016 0.49844226139280 0.22787408783490 18.998 > 21 62 F 0.53560556185349 0.49844226139280 0.22787408783490 18.998 > 21 63 F 0.86893889518683 0.49844226139280 0.22787408783490 18.998 > 21 *64 F 0.18867605078935 0.35859070605858 0.90648480276545 18.998 > 22 65 F 0.52200938412268 0.35859070605858 0.90648480276545 18.998 > 22 66 F 0.85534271745602 0.35859070605858 0.90648480276545 18.998 > 22 67 F 0.20538150730520 0.74299899708083 0.74164906435623 18.998 > 23 68 F 0.53871484063853 0.74299899708083 0.74164906435623 18.998 > 23 69 F 0.87204817397186 0.74299899708083 0.74164906435623 18.998 > 23 70 F 0.04330923536935 0.49606181042031 0.90885342995410 18.998 > 24 71 F 0.37664256870268 0.49606181042031 0.90885342995410 18.998 > 24 72 F 0.70997590203602 0.49606181042031 0.90885342995410 18.998 > 24 73 F 0.14465728254398 0.85859070605858 0.59351519723455 18.998 > 25 74 F 0.47799061587732 0.85859070605858 0.59351519723455 18.998 > 25 75 F 0.81132394921065 0.85859070605858 0.59351519723455 18.998 > 25 76 F 0.04075280131125 0.22300465277228 0.89831844875094 18.998 > 26 77 F 0.37408613464458 0.22300465277228 0.89831844875094 18.998 > 26 78 F 0.70741946797791 0.22300465277228 0.89831844875094 18.998 > 26 79 F 0.20227222852016 0.00155773860720 0.72787408783490 18.998 > 27 80 F 0.53560556185349 0.00155773860720 0.72787408783490 18.998 > 27 81 F 0.86893889518683 0.00155773860720 0.72787408783490 18.998 > 27 82 F 0.12795182602814 0.24299899708083 0.75835093564377 18.998 > 28 83 F 0.46128515936147 0.24299899708083 0.75835093564377 18.998 > 28 84 F 0.79461849269480 0.24299899708083 0.75835093564377 18.998 > 28 85 F 0.18867605078935 0.14140929394142 0.40648480276545 18.998 > 29 86 F 0.52200938412268 0.14140929394142 0.40648480276545 18.998 > 29 87 F 0.85534271745602 0.14140929394142 0.40648480276545 18.998 > 29 88 F 0.14465728254398 0.64140929394142 0.09351519723455 18.998 > 30 89 F 0.47799061587732 0.64140929394142 0.09351519723455 18.998 > 30 90 F 0.81132394921065 0.64140929394142 0.09351519723455 18.998 > 30 91 F 0.29002409796398 0.50393818957969 0.09114657004590 18.998 > 31 92 F 0.62335743129732 0.50393818957969 0.09114657004590 18.998 > 31 93 F 0.95669076463065 0.50393818957969 0.09114657004590 18.998 > 31 94 F 0.29258053202209 0.77699534722772 0.10168155124906 18.998 > 32 95 F 0.62591386535542 0.77699534722772 0.10168155124906 18.998 > 32 96 F 0.95924719868875 0.77699534722772 0.10168155124906 18.998 > 32 97 F 0.13106110481317 0.99844226139280 0.27212591216510 18.998 > 33 98 F 0.46439443814651 0.99844226139280 0.27212591216510 18.998 > 33 99 F 0.79772777147984 0.99844226139280 0.27212591216510 18.998 > 33 100 F 0.13106110481317 0.50155773860720 0.77212591216510 18.998 > 34 101 F 0.46439443814651 0.50155773860720 0.77212591216510 18.998 > 34 102 F 0.79772777147984 0.50155773860720 0.77212591216510 18.998 > 34 103 F 0.12795182602814 0.25700100291917 0.25835093564377 18.998 > 35 104 F 0.46128515936147 0.25700100291917 0.25835093564377 18.998 > 35 105 F 0.79461849269480 0.25700100291917 0.25835093564377 18.998 > 35 106 F 0.04330923536935 0.00393818957969 0.40885342995410 18.998 > 36 107 F 0.37664256870268 0.00393818957969 0.40885342995410 18.998 > 36 108 F 0.70997590203602 0.00393818957969 0.40885342995410 18.998 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.2514453 0.0000000 -0.0213577 0.0000000 2.3050233 0.0000000 -0.0213571 0.0000000 2.5353164 -------------------------- Born effective charges -------------------------- 1 K 1.1573093 -0.0156062 -0.0179524 -0.0126365 1.2750751 0.0498562 -0.0285774 0.0295984 1.1706105 2 K 1.1669031 0.0055668 -0.0385138 0.0033651 1.2627300 -0.0236151 -0.0310050 -0.0050787 1.2806561 3 K 1.1669031 -0.0055668 -0.0385138 -0.0033651 1.2627300 0.0236151 -0.0310050 0.0050787 1.2806561 4 K 1.1573093 0.0156062 -0.0179524 0.0126365 1.2750751 -0.0498562 -0.0285774 -0.0295984 1.1706105 5 K 1.1573093 0.0156062 -0.0179524 0.0126365 1.2750751 -0.0498562 -0.0285774 -0.0295984 1.1706105 6 K 1.1669031 0.0055668 -0.0385138 0.0033651 1.2627300 -0.0236151 -0.0310050 -0.0050787 1.2806561 7 K 1.1573093 -0.0156062 -0.0179524 -0.0126365 1.2750751 0.0498562 -0.0285774 0.0295984 1.1706105 8 K 1.1669031 -0.0055668 -0.0385138 -0.0033651 1.2627300 0.0236151 -0.0310050 0.0050787 1.2806561 9 Te 3.4904691 0.0148614 -0.4235653 0.0315537 3.9647675 -0.0105427 -0.3609408 -0.0818602 4.3591889 10 Te 3.4904691 -0.0148614 -0.4235653 -0.0315537 3.9647675 0.0105427 -0.3609408 0.0818602 4.3591889 11 Te 3.4904691 -0.0148614 -0.4235653 -0.0315537 3.9647675 0.0105427 -0.3609408 0.0818602 4.3591889 12 Te 3.4904691 0.0148614 -0.4235653 0.0315537 3.9647675 -0.0105427 -0.3609408 -0.0818602 4.3591889 13 Cl -1.0103124 -0.0049972 -0.1186159 -0.0029452 -0.9524862 -0.0286926 -0.0813746 -0.0438640 -1.5731738 14 Cl -1.0103124 0.0049972 -0.1186159 0.0029452 -0.9524862 0.0286926 -0.0813746 0.0438640 -1.5731738 15 Cl -1.0103124 -0.0049972 -0.1186159 -0.0029452 -0.9524862 -0.0286926 -0.0813746 -0.0438640 -1.5731738 16 Cl -1.0103124 0.0049972 -0.1186159 0.0029452 -0.9524862 0.0286926 -0.0813746 0.0438640 -1.5731738 17 F -1.1040173 0.5319297 0.1951745 0.6042886 -1.1180023 -0.2453477 0.3110402 -0.2981892 -0.8440881 18 F -0.7856702 0.3596210 0.2856724 0.2348086 -1.3869500 -0.6634018 0.1885015 -0.8035763 -1.2079508 19 F -0.7525397 -0.3374711 0.3323604 -0.2190879 -1.2174766 0.6569985 0.2161560 0.7713451 -1.3189058 20 F -0.7856702 0.3596210 0.2856724 0.2348086 -1.3869500 -0.6634018 0.1885015 -0.8035763 -1.2079508 21 F -1.0837461 -0.5502320 0.1464208 -0.6596624 -1.2217501 0.2281982 0.2982366 0.3322322 -0.7925801 22 F -1.0783959 0.0366646 -0.3609807 0.0314705 -0.6059073 0.0334972 -0.5120365 0.0569785 -1.0737570 23 F -1.1040173 -0.5319297 0.1951745 -0.6042886 -1.1180023 0.2453477 0.3110402 0.2981892 -0.8440881 24 F -0.7525397 0.3374711 0.3323604 0.2190879 -1.2174766 -0.6569985 0.2161560 -0.7713451 -1.3189058 25 F -1.0783959 -0.0366646 -0.3609807 -0.0314705 -0.6059073 -0.0334972 -0.5120365 -0.0569785 -1.0737570 26 F -0.7856702 -0.3596210 0.2856724 -0.2348086 -1.3869500 0.6634018 0.1885015 0.8035763 -1.2079508 27 F -1.0837461 0.5502320 0.1464208 0.6596624 -1.2217501 -0.2281982 0.2982366 -0.3322322 -0.7925801 28 F -1.1040173 0.5319297 0.1951745 0.6042886 -1.1180023 -0.2453477 0.3110402 -0.2981892 -0.8440881 29 F -1.0783959 -0.0366646 -0.3609807 -0.0314705 -0.6059073 -0.0334972 -0.5120365 -0.0569785 -1.0737570 30 F -1.0783959 0.0366646 -0.3609807 0.0314705 -0.6059073 0.0334972 -0.5120365 0.0569785 -1.0737570 31 F -0.7525397 0.3374711 0.3323604 0.2190879 -1.2174766 -0.6569985 0.2161560 -0.7713451 -1.3189058 32 F -0.7856702 -0.3596210 0.2856724 -0.2348086 -1.3869500 0.6634018 0.1885015 0.8035763 -1.2079508 33 F -1.0837461 0.5502320 0.1464208 0.6596624 -1.2217501 -0.2281982 0.2982366 -0.3322322 -0.7925801 34 F -1.0837461 -0.5502320 0.1464208 -0.6596624 -1.2217501 0.2281982 0.2982366 0.3322322 -0.7925801 35 F -1.1040173 -0.5319297 0.1951745 -0.6042886 -1.1180023 0.2453477 0.3110402 0.2981892 -0.8440881 36 F -0.7525397 -0.3374711 0.3323604 -0.2190879 -1.2174766 0.6569985 0.2161560 0.7713451 -1.3189058 ---------------------------------------------------------------------------- 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: 324/324 Permutation basis: 17766/17766 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4482 Number of blocks in projector: 4482 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: 972 Use submatrix version of eigh solver. (1) Block: 500 / 972 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 972 / 972 (1) 454 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 18 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 972 Use submatrix version of eigh solver. (1) Block: 500 / 972 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 972 / 972 (1) 454 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 18 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 972 Use submatrix version of eigh solver. (1) Block: 500 / 972 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 972 / 972 (1) 459 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 522 Use submatrix version of eigh solver. (1) Block: 522 / 522 (2) Block: 250 / 522 (2) 241 eigenvectors found. (2) Block: 522 / 522 (2) 263 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 522 Use submatrix version of eigh solver. (1) Block: 522 / 522 (2) Block: 250 / 522 (2) 241 eigenvectors found. (2) Block: 522 / 522 (2) 263 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 522 Use submatrix version of eigh solver. (1) Block: 522 / 522 (2) Block: 250 / 522 (2) 241 eigenvectors found. (2) Block: 522 / 522 (2) 263 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4482, 4402), data: False |-- (522, 513), data: False |-- (522, 513), data: False |-- (522, 9), data: (522, 18) @ (18, 9) |-- (272, 263), data: True |-- (250, 241), data: True |-- (522, 513), data: False |-- (522, 513), data: False |-- (522, 9), data: (522, 18) @ (18, 9) |-- (272, 263), data: True |-- (250, 241), data: True |-- (522, 513), data: False |-- (522, 513), data: False |-- (522, 9), data: (522, 18) @ (18, 9) |-- (272, 263), data: True |-- (250, 241), data: True |-- (972, 955), data: False |-- (972, 13), data: (972, 30) @ (30, 13) |-- (472, 459), data: True |-- (500, 483), data: False |-- (500, 15), data: (500, 32) @ (32, 15) |-- (250, 235), data: True |-- (250, 233), data: True |-- (972, 954), data: False |-- (972, 18), data: (972, 36) @ (36, 18) |-- (472, 454), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (972, 954), data: False |-- (972, 18), data: (972, 36) @ (36, 18) |-- (472, 454), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 108 / 108 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 1120 - Time: 1.283 Solver_block: 200 / 1120 - Time: 1.032 Solver_block: 300 / 1120 - Time: 1.038 Solver_block: 400 / 1120 - Time: 1.029 Solver_block: 500 / 1120 - Time: 1.048 Solver_block: 600 / 1120 - Time: 1.041 Solver_block: 700 / 1120 - Time: 1.044 Solver_block: 800 / 1120 - Time: 1.022 Solver_block: 900 / 1120 - Time: 1.046 Solver_block: 1000 / 1120 - Time: 0.982 Solver_block: 1100 / 1120 - Time: 1.035 Solver_block: 1120 / 1120 - Time: 0.339 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 12.231 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 324/324 Permutation basis: 17766/17766 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4482 Number of blocks in projector: 4482 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: 972 Use submatrix version of eigh solver. (1) Block: 500 / 972 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 972 / 972 (1) 454 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 18 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 972 Use submatrix version of eigh solver. (1) Block: 500 / 972 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 972 / 972 (1) 454 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 18 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 972 Use submatrix version of eigh solver. (1) Block: 500 / 972 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 972 / 972 (1) 459 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 522 Use submatrix version of eigh solver. (1) Block: 522 / 522 (2) Block: 250 / 522 (2) 241 eigenvectors found. (2) Block: 522 / 522 (2) 263 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 522 Use submatrix version of eigh solver. (1) Block: 522 / 522 (2) Block: 250 / 522 (2) 241 eigenvectors found. (2) Block: 522 / 522 (2) 263 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 522 Use submatrix version of eigh solver. (1) Block: 522 / 522 (2) Block: 250 / 522 (2) 241 eigenvectors found. (2) Block: 522 / 522 (2) 263 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4482, 4402), data: False |-- (522, 513), data: False |-- (522, 513), data: False |-- (522, 9), data: (522, 18) @ (18, 9) |-- (272, 263), data: True |-- (250, 241), data: True |-- (522, 513), data: False |-- (522, 513), data: False |-- (522, 9), data: (522, 18) @ (18, 9) |-- (272, 263), data: True |-- (250, 241), data: True |-- (522, 513), data: False |-- (522, 513), data: False |-- (522, 9), data: (522, 18) @ (18, 9) |-- (272, 263), data: True |-- (250, 241), data: True |-- (972, 955), data: False |-- (972, 13), data: (972, 30) @ (30, 13) |-- (472, 459), data: True |-- (500, 483), data: False |-- (500, 15), data: (500, 32) @ (32, 15) |-- (250, 235), data: True |-- (250, 233), data: True |-- (972, 954), data: False |-- (972, 18), data: (972, 36) @ (36, 18) |-- (472, 454), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (972, 954), data: False |-- (972, 18), data: (972, 36) @ (36, 18) |-- (472, 454), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 11:11:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:11:48]------------------------- 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): [3 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.587883433894620 0.000000000000000 0.000000000000000 b 0.000000000000000 10.655672440000002 0.000000000000000 c -4.420947296156901 0.000000000000000 14.608894433933795 Atomic positions (fractional): 1 K 0.35523634873129 0.92275364042420 0.10433801206541 39.098 2 K 0.67716879441079 0.65660185347901 0.92201346910519 39.098 3 K 0.67716879441079 0.84339814652099 0.42201346910519 39.098 4 K 0.64476365126871 0.42275364042420 0.39566198793459 39.098 5 K 0.35523634873129 0.57724635957580 0.60433801206541 39.098 6 K 0.32283120558921 0.34339814652099 0.07798653089481 39.098 7 K 0.64476365126871 0.07724635957580 0.89566198793459 39.098 8 K 0.32283120558921 0.15660185347901 0.57798653089481 39.098 9 Te 0.17356799843487 0.36674374897984 0.81614185392403 127.600 10 Te 0.17356799843487 0.13325625102017 0.31614185392403 127.600 11 Te 0.82643200156513 0.86674374897983 0.68385814607597 127.600 12 Te 0.82643200156513 0.63325625102017 0.18385814607597 127.600 13 Cl 0.15950765647841 0.87156338662107 0.89629684192165 35.453 14 Cl 0.15950765647841 0.62843661337893 0.39629684192164 35.453 15 Cl 0.84049234352159 0.12843661337893 0.10370315807836 35.453 16 Cl 0.84049234352159 0.37156338662107 0.60370315807835 35.453 17 F 0.61614452191559 0.75700100291917 0.24164906435623 18.998 18 F 0.12225840393374 0.27699534722772 0.39831844875093 18.998 19 F 0.87007229389195 0.99606181042031 0.59114657004590 18.998 20 F 0.87774159606626 0.72300465277228 0.60168155124906 18.998 21 F 0.60681668556048 0.49844226139280 0.22787408783490 18.998 22 F 0.56602815236805 0.35859070605858 0.90648480276545 18.998 23 F 0.61614452191559 0.74299899708083 0.74164906435623 18.998 24 F 0.12992770610805 0.49606181042031 0.90885342995410 18.998 25 F 0.43397184763195 0.85859070605858 0.59351519723455 18.998 26 F 0.12225840393374 0.22300465277228 0.89831844875094 18.998 27 F 0.60681668556048 0.00155773860720 0.72787408783490 18.998 28 F 0.38385547808441 0.24299899708083 0.75835093564377 18.998 29 F 0.56602815236805 0.14140929394142 0.40648480276545 18.998 30 F 0.43397184763195 0.64140929394142 0.09351519723455 18.998 31 F 0.87007229389195 0.50393818957969 0.09114657004590 18.998 32 F 0.87774159606626 0.77699534722772 0.10168155124906 18.998 33 F 0.39318331443952 0.99844226139280 0.27212591216510 18.998 34 F 0.39318331443952 0.50155773860720 0.77212591216510 18.998 35 F 0.38385547808441 0.25700100291917 0.25835093564377 18.998 36 F 0.12992770610805 0.00393818957969 0.40885342995410 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.763650301683860 0.000000000000000 0.000000000000000 b 0.000000000000000 10.655672440000002 0.000000000000000 c -4.420947296156901 0.000000000000000 14.608894433933795 Atomic positions (fractional): 1 K 0.11841211624376 0.92275364042420 0.10433801206541 39.098 > 1 2 K 0.45174544957710 0.92275364042420 0.10433801206541 39.098 > 1 3 K 0.78507878291043 0.92275364042420 0.10433801206541 39.098 > 1 4 K 0.22572293147026 0.65660185347901 0.92201346910519 39.098 > 4 5 K 0.55905626480360 0.65660185347901 0.92201346910519 39.098 > 4 6 K 0.89238959813693 0.65660185347901 0.92201346910519 39.098 > 4 7 K 0.22572293147026 0.84339814652099 0.42201346910519 39.098 > 7 8 K 0.55905626480360 0.84339814652099 0.42201346910519 39.098 > 7 9 K 0.89238959813693 0.84339814652099 0.42201346910519 39.098 > 7 10 K 0.21492121708957 0.42275364042420 0.39566198793459 39.098 > 10 11 K 0.54825455042290 0.42275364042420 0.39566198793459 39.098 > 10 12 K 0.88158788375624 0.42275364042420 0.39566198793459 39.098 > 10 13 K 0.11841211624376 0.57724635957580 0.60433801206541 39.098 > 13 14 K 0.45174544957710 0.57724635957580 0.60433801206541 39.098 > 13 15 K 0.78507878291043 0.57724635957580 0.60433801206541 39.098 > 13 16 K 0.10761040186307 0.34339814652099 0.07798653089481 39.098 > 16 17 K 0.44094373519640 0.34339814652099 0.07798653089481 39.098 > 16 18 K 0.77427706852974 0.34339814652099 0.07798653089481 39.098 > 16 19 K 0.21492121708957 0.07724635957580 0.89566198793459 39.098 > 19 20 K 0.54825455042290 0.07724635957580 0.89566198793459 39.098 > 19 21 K 0.88158788375624 0.07724635957580 0.89566198793459 39.098 > 19 22 K 0.10761040186307 0.15660185347901 0.57798653089481 39.098 > 22 23 K 0.44094373519640 0.15660185347901 0.57798653089481 39.098 > 22 24 K 0.77427706852974 0.15660185347901 0.57798653089481 39.098 > 22 25 Te 0.05785599947829 0.36674374897984 0.81614185392403 127.600 > 25 26 Te 0.39118933281162 0.36674374897984 0.81614185392403 127.600 > 25 27 Te 0.72452266614496 0.36674374897984 0.81614185392403 127.600 > 25 28 Te 0.05785599947829 0.13325625102017 0.31614185392403 127.600 > 28 29 Te 0.39118933281162 0.13325625102017 0.31614185392403 127.600 > 28 30 Te 0.72452266614496 0.13325625102017 0.31614185392403 127.600 > 28 31 Te 0.27547733385504 0.86674374897983 0.68385814607597 127.600 > 31 32 Te 0.60881066718838 0.86674374897983 0.68385814607597 127.600 > 31 33 Te 0.94214400052171 0.86674374897983 0.68385814607597 127.600 > 31 34 Te 0.27547733385504 0.63325625102017 0.18385814607597 127.600 > 34 35 Te 0.60881066718838 0.63325625102017 0.18385814607597 127.600 > 34 36 Te 0.94214400052171 0.63325625102017 0.18385814607597 127.600 > 34 37 Cl 0.05316921882614 0.87156338662107 0.89629684192165 35.453 > 37 38 Cl 0.38650255215947 0.87156338662107 0.89629684192165 35.453 > 37 39 Cl 0.71983588549280 0.87156338662107 0.89629684192165 35.453 > 37 40 Cl 0.05316921882614 0.62843661337893 0.39629684192164 35.453 > 40 41 Cl 0.38650255215947 0.62843661337893 0.39629684192164 35.453 > 40 42 Cl 0.71983588549280 0.62843661337893 0.39629684192164 35.453 > 40 43 Cl 0.28016411450720 0.12843661337893 0.10370315807836 35.453 > 43 44 Cl 0.61349744784053 0.12843661337893 0.10370315807836 35.453 > 43 45 Cl 0.94683078117386 0.12843661337893 0.10370315807836 35.453 > 43 46 Cl 0.28016411450720 0.37156338662107 0.60370315807835 35.453 > 46 47 Cl 0.61349744784053 0.37156338662107 0.60370315807835 35.453 > 46 48 Cl 0.94683078117386 0.37156338662107 0.60370315807835 35.453 > 46 49 F 0.20538150730520 0.75700100291917 0.24164906435623 18.998 > 49 50 F 0.53871484063853 0.75700100291917 0.24164906435623 18.998 > 49 51 F 0.87204817397186 0.75700100291917 0.24164906435623 18.998 > 49 52 F 0.04075280131125 0.27699534722772 0.39831844875093 18.998 > 52 53 F 0.37408613464458 0.27699534722772 0.39831844875093 18.998 > 52 54 F 0.70741946797791 0.27699534722772 0.39831844875093 18.998 > 52 55 F 0.29002409796398 0.99606181042031 0.59114657004590 18.998 > 55 56 F 0.62335743129732 0.99606181042031 0.59114657004590 18.998 > 55 57 F 0.95669076463065 0.99606181042031 0.59114657004590 18.998 > 55 58 F 0.29258053202209 0.72300465277228 0.60168155124906 18.998 > 58 59 F 0.62591386535542 0.72300465277228 0.60168155124906 18.998 > 58 60 F 0.95924719868875 0.72300465277228 0.60168155124906 18.998 > 58 61 F 0.20227222852016 0.49844226139280 0.22787408783490 18.998 > 61 62 F 0.53560556185349 0.49844226139280 0.22787408783490 18.998 > 61 63 F 0.86893889518683 0.49844226139280 0.22787408783490 18.998 > 61 64 F 0.18867605078935 0.35859070605858 0.90648480276545 18.998 > 64 65 F 0.52200938412268 0.35859070605858 0.90648480276545 18.998 > 64 66 F 0.85534271745602 0.35859070605858 0.90648480276545 18.998 > 64 67 F 0.20538150730520 0.74299899708083 0.74164906435623 18.998 > 67 68 F 0.53871484063853 0.74299899708083 0.74164906435623 18.998 > 67 69 F 0.87204817397186 0.74299899708083 0.74164906435623 18.998 > 67 70 F 0.04330923536935 0.49606181042031 0.90885342995410 18.998 > 70 71 F 0.37664256870268 0.49606181042031 0.90885342995410 18.998 > 70 72 F 0.70997590203602 0.49606181042031 0.90885342995410 18.998 > 70 73 F 0.14465728254398 0.85859070605858 0.59351519723455 18.998 > 73 74 F 0.47799061587732 0.85859070605858 0.59351519723455 18.998 > 73 75 F 0.81132394921065 0.85859070605858 0.59351519723455 18.998 > 73 76 F 0.04075280131125 0.22300465277228 0.89831844875094 18.998 > 76 77 F 0.37408613464458 0.22300465277228 0.89831844875094 18.998 > 76 78 F 0.70741946797791 0.22300465277228 0.89831844875094 18.998 > 76 79 F 0.20227222852016 0.00155773860720 0.72787408783490 18.998 > 79 80 F 0.53560556185349 0.00155773860720 0.72787408783490 18.998 > 79 81 F 0.86893889518683 0.00155773860720 0.72787408783490 18.998 > 79 82 F 0.12795182602814 0.24299899708083 0.75835093564377 18.998 > 82 83 F 0.46128515936147 0.24299899708083 0.75835093564377 18.998 > 82 84 F 0.79461849269480 0.24299899708083 0.75835093564377 18.998 > 82 85 F 0.18867605078935 0.14140929394142 0.40648480276545 18.998 > 85 86 F 0.52200938412268 0.14140929394142 0.40648480276545 18.998 > 85 87 F 0.85534271745602 0.14140929394142 0.40648480276545 18.998 > 85 88 F 0.14465728254398 0.64140929394142 0.09351519723455 18.998 > 88 89 F 0.47799061587732 0.64140929394142 0.09351519723455 18.998 > 88 90 F 0.81132394921065 0.64140929394142 0.09351519723455 18.998 > 88 91 F 0.29002409796398 0.50393818957969 0.09114657004590 18.998 > 91 92 F 0.62335743129732 0.50393818957969 0.09114657004590 18.998 > 91 93 F 0.95669076463065 0.50393818957969 0.09114657004590 18.998 > 91 94 F 0.29258053202209 0.77699534722772 0.10168155124906 18.998 > 94 95 F 0.62591386535542 0.77699534722772 0.10168155124906 18.998 > 94 96 F 0.95924719868875 0.77699534722772 0.10168155124906 18.998 > 94 97 F 0.13106110481317 0.99844226139280 0.27212591216510 18.998 > 97 98 F 0.46439443814651 0.99844226139280 0.27212591216510 18.998 > 97 99 F 0.79772777147984 0.99844226139280 0.27212591216510 18.998 > 97 100 F 0.13106110481317 0.50155773860720 0.77212591216510 18.998 > 100 101 F 0.46439443814651 0.50155773860720 0.77212591216510 18.998 > 100 102 F 0.79772777147984 0.50155773860720 0.77212591216510 18.998 > 100 103 F 0.12795182602814 0.25700100291917 0.25835093564377 18.998 > 103 104 F 0.46128515936147 0.25700100291917 0.25835093564377 18.998 > 103 105 F 0.79461849269480 0.25700100291917 0.25835093564377 18.998 > 103 106 F 0.04330923536935 0.00393818957969 0.40885342995410 18.998 > 106 107 F 0.37664256870268 0.00393818957969 0.40885342995410 18.998 > 106 108 F 0.70997590203602 0.00393818957969 0.40885342995410 18.998 > 106 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.2514453 0.0000000 -0.0213577 0.0000000 2.3050233 0.0000000 -0.0213571 0.0000000 2.5353164 -------------------------- Born effective charges -------------------------- 1 K 1.1573093 -0.0156062 -0.0179524 -0.0126365 1.2750751 0.0498562 -0.0285774 0.0295984 1.1706105 2 K 1.1669031 0.0055668 -0.0385138 0.0033651 1.2627300 -0.0236151 -0.0310050 -0.0050787 1.2806561 3 K 1.1669031 -0.0055668 -0.0385138 -0.0033651 1.2627300 0.0236151 -0.0310050 0.0050787 1.2806561 4 K 1.1573093 0.0156062 -0.0179524 0.0126365 1.2750751 -0.0498562 -0.0285774 -0.0295984 1.1706105 5 K 1.1573093 0.0156062 -0.0179524 0.0126365 1.2750751 -0.0498562 -0.0285774 -0.0295984 1.1706105 6 K 1.1669031 0.0055668 -0.0385138 0.0033651 1.2627300 -0.0236151 -0.0310050 -0.0050787 1.2806561 7 K 1.1573093 -0.0156062 -0.0179524 -0.0126365 1.2750751 0.0498562 -0.0285774 0.0295984 1.1706105 8 K 1.1669031 -0.0055668 -0.0385138 -0.0033651 1.2627300 0.0236151 -0.0310050 0.0050787 1.2806561 9 Te 3.4904691 0.0148614 -0.4235653 0.0315537 3.9647675 -0.0105427 -0.3609408 -0.0818602 4.3591889 10 Te 3.4904691 -0.0148614 -0.4235653 -0.0315537 3.9647675 0.0105427 -0.3609408 0.0818602 4.3591889 11 Te 3.4904691 -0.0148614 -0.4235653 -0.0315537 3.9647675 0.0105427 -0.3609408 0.0818602 4.3591889 12 Te 3.4904691 0.0148614 -0.4235653 0.0315537 3.9647675 -0.0105427 -0.3609408 -0.0818602 4.3591889 13 Cl -1.0103124 -0.0049972 -0.1186159 -0.0029452 -0.9524862 -0.0286926 -0.0813746 -0.0438640 -1.5731738 14 Cl -1.0103124 0.0049972 -0.1186159 0.0029452 -0.9524862 0.0286926 -0.0813746 0.0438640 -1.5731738 15 Cl -1.0103124 -0.0049972 -0.1186159 -0.0029452 -0.9524862 -0.0286926 -0.0813746 -0.0438640 -1.5731738 16 Cl -1.0103124 0.0049972 -0.1186159 0.0029452 -0.9524862 0.0286926 -0.0813746 0.0438640 -1.5731738 17 F -1.1040173 0.5319297 0.1951745 0.6042886 -1.1180023 -0.2453477 0.3110402 -0.2981892 -0.8440881 18 F -0.7856702 0.3596210 0.2856724 0.2348086 -1.3869500 -0.6634018 0.1885015 -0.8035763 -1.2079508 19 F -0.7525397 -0.3374711 0.3323604 -0.2190879 -1.2174766 0.6569985 0.2161560 0.7713451 -1.3189058 20 F -0.7856702 0.3596210 0.2856724 0.2348086 -1.3869500 -0.6634018 0.1885015 -0.8035763 -1.2079508 21 F -1.0837461 -0.5502320 0.1464208 -0.6596624 -1.2217501 0.2281982 0.2982366 0.3322322 -0.7925801 22 F -1.0783959 0.0366646 -0.3609807 0.0314705 -0.6059073 0.0334972 -0.5120365 0.0569785 -1.0737570 23 F -1.1040173 -0.5319297 0.1951745 -0.6042886 -1.1180023 0.2453477 0.3110402 0.2981892 -0.8440881 24 F -0.7525397 0.3374711 0.3323604 0.2190879 -1.2174766 -0.6569985 0.2161560 -0.7713451 -1.3189058 25 F -1.0783959 -0.0366646 -0.3609807 -0.0314705 -0.6059073 -0.0334972 -0.5120365 -0.0569785 -1.0737570 26 F -0.7856702 -0.3596210 0.2856724 -0.2348086 -1.3869500 0.6634018 0.1885015 0.8035763 -1.2079508 27 F -1.0837461 0.5502320 0.1464208 0.6596624 -1.2217501 -0.2281982 0.2982366 -0.3322322 -0.7925801 28 F -1.1040173 0.5319297 0.1951745 0.6042886 -1.1180023 -0.2453477 0.3110402 -0.2981892 -0.8440881 29 F -1.0783959 -0.0366646 -0.3609807 -0.0314705 -0.6059073 -0.0334972 -0.5120365 -0.0569785 -1.0737570 30 F -1.0783959 0.0366646 -0.3609807 0.0314705 -0.6059073 0.0334972 -0.5120365 0.0569785 -1.0737570 31 F -0.7525397 0.3374711 0.3323604 0.2190879 -1.2174766 -0.6569985 0.2161560 -0.7713451 -1.3189058 32 F -0.7856702 -0.3596210 0.2856724 -0.2348086 -1.3869500 0.6634018 0.1885015 0.8035763 -1.2079508 33 F -1.0837461 0.5502320 0.1464208 0.6596624 -1.2217501 -0.2281982 0.2982366 -0.3322322 -0.7925801 34 F -1.0837461 -0.5502320 0.1464208 -0.6596624 -1.2217501 0.2281982 0.2982366 0.3322322 -0.7925801 35 F -1.1040173 -0.5319297 0.1951745 -0.6042886 -1.1180023 0.2453477 0.3110402 0.2981892 -0.8440881 36 F -0.7525397 -0.3374711 0.3323604 -0.2190879 -1.2174766 0.6569985 0.2161560 0.7713451 -1.3189058 ---------------------------------------------------------------------------- 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] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Computing fc3[ 4, 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] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] 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] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] 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] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Computing fc3[ 52, 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] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Computing fc3[ 55, 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] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Computing fc3[ 61, 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] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Computing fc3[ 64, 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] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xzz) -0.00000000 (xzz) -0.00000000 (xzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) 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 11:12:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:12:27]------------------------- 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): [3 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.587883433894620 0.000000000000000 0.000000000000000 b 0.000000000000000 10.655672440000002 0.000000000000000 c -4.420947296156901 0.000000000000000 14.608894433933795 Atomic positions (fractional): 1 K 0.35523634873129 0.92275364042420 0.10433801206541 39.098 2 K 0.67716879441079 0.65660185347901 0.92201346910519 39.098 3 K 0.67716879441079 0.84339814652099 0.42201346910519 39.098 4 K 0.64476365126871 0.42275364042420 0.39566198793459 39.098 5 K 0.35523634873129 0.57724635957580 0.60433801206541 39.098 6 K 0.32283120558921 0.34339814652099 0.07798653089481 39.098 7 K 0.64476365126871 0.07724635957580 0.89566198793459 39.098 8 K 0.32283120558921 0.15660185347901 0.57798653089481 39.098 9 Te 0.17356799843487 0.36674374897984 0.81614185392403 127.600 10 Te 0.17356799843487 0.13325625102017 0.31614185392403 127.600 11 Te 0.82643200156513 0.86674374897983 0.68385814607597 127.600 12 Te 0.82643200156513 0.63325625102017 0.18385814607597 127.600 13 Cl 0.15950765647841 0.87156338662107 0.89629684192165 35.453 14 Cl 0.15950765647841 0.62843661337893 0.39629684192164 35.453 15 Cl 0.84049234352159 0.12843661337893 0.10370315807836 35.453 16 Cl 0.84049234352159 0.37156338662107 0.60370315807835 35.453 17 F 0.61614452191559 0.75700100291917 0.24164906435623 18.998 18 F 0.12225840393374 0.27699534722772 0.39831844875093 18.998 19 F 0.87007229389195 0.99606181042031 0.59114657004590 18.998 20 F 0.87774159606626 0.72300465277228 0.60168155124906 18.998 21 F 0.60681668556048 0.49844226139280 0.22787408783490 18.998 22 F 0.56602815236805 0.35859070605858 0.90648480276545 18.998 23 F 0.61614452191559 0.74299899708083 0.74164906435623 18.998 24 F 0.12992770610805 0.49606181042031 0.90885342995410 18.998 25 F 0.43397184763195 0.85859070605858 0.59351519723455 18.998 26 F 0.12225840393374 0.22300465277228 0.89831844875094 18.998 27 F 0.60681668556048 0.00155773860720 0.72787408783490 18.998 28 F 0.38385547808441 0.24299899708083 0.75835093564377 18.998 29 F 0.56602815236805 0.14140929394142 0.40648480276545 18.998 30 F 0.43397184763195 0.64140929394142 0.09351519723455 18.998 31 F 0.87007229389195 0.50393818957969 0.09114657004590 18.998 32 F 0.87774159606626 0.77699534722772 0.10168155124906 18.998 33 F 0.39318331443952 0.99844226139280 0.27212591216510 18.998 34 F 0.39318331443952 0.50155773860720 0.77212591216510 18.998 35 F 0.38385547808441 0.25700100291917 0.25835093564377 18.998 36 F 0.12992770610805 0.00393818957969 0.40885342995410 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.763650301683860 0.000000000000000 0.000000000000000 b 0.000000000000000 10.655672440000002 0.000000000000000 c -4.420947296156901 0.000000000000000 14.608894433933795 Atomic positions (fractional): 1 K 0.11841211624376 0.92275364042420 0.10433801206541 39.098 > 1 2 K 0.45174544957710 0.92275364042420 0.10433801206541 39.098 > 1 3 K 0.78507878291043 0.92275364042420 0.10433801206541 39.098 > 1 4 K 0.22572293147026 0.65660185347901 0.92201346910519 39.098 > 4 5 K 0.55905626480360 0.65660185347901 0.92201346910519 39.098 > 4 6 K 0.89238959813693 0.65660185347901 0.92201346910519 39.098 > 4 7 K 0.22572293147026 0.84339814652099 0.42201346910519 39.098 > 7 8 K 0.55905626480360 0.84339814652099 0.42201346910519 39.098 > 7 9 K 0.89238959813693 0.84339814652099 0.42201346910519 39.098 > 7 10 K 0.21492121708957 0.42275364042420 0.39566198793459 39.098 > 10 11 K 0.54825455042290 0.42275364042420 0.39566198793459 39.098 > 10 12 K 0.88158788375624 0.42275364042420 0.39566198793459 39.098 > 10 13 K 0.11841211624376 0.57724635957580 0.60433801206541 39.098 > 13 14 K 0.45174544957710 0.57724635957580 0.60433801206541 39.098 > 13 15 K 0.78507878291043 0.57724635957580 0.60433801206541 39.098 > 13 16 K 0.10761040186307 0.34339814652099 0.07798653089481 39.098 > 16 17 K 0.44094373519640 0.34339814652099 0.07798653089481 39.098 > 16 18 K 0.77427706852974 0.34339814652099 0.07798653089481 39.098 > 16 19 K 0.21492121708957 0.07724635957580 0.89566198793459 39.098 > 19 20 K 0.54825455042290 0.07724635957580 0.89566198793459 39.098 > 19 21 K 0.88158788375624 0.07724635957580 0.89566198793459 39.098 > 19 22 K 0.10761040186307 0.15660185347901 0.57798653089481 39.098 > 22 23 K 0.44094373519640 0.15660185347901 0.57798653089481 39.098 > 22 24 K 0.77427706852974 0.15660185347901 0.57798653089481 39.098 > 22 25 Te 0.05785599947829 0.36674374897984 0.81614185392403 127.600 > 25 26 Te 0.39118933281162 0.36674374897984 0.81614185392403 127.600 > 25 27 Te 0.72452266614496 0.36674374897984 0.81614185392403 127.600 > 25 28 Te 0.05785599947829 0.13325625102017 0.31614185392403 127.600 > 28 29 Te 0.39118933281162 0.13325625102017 0.31614185392403 127.600 > 28 30 Te 0.72452266614496 0.13325625102017 0.31614185392403 127.600 > 28 31 Te 0.27547733385504 0.86674374897983 0.68385814607597 127.600 > 31 32 Te 0.60881066718838 0.86674374897983 0.68385814607597 127.600 > 31 33 Te 0.94214400052171 0.86674374897983 0.68385814607597 127.600 > 31 34 Te 0.27547733385504 0.63325625102017 0.18385814607597 127.600 > 34 35 Te 0.60881066718838 0.63325625102017 0.18385814607597 127.600 > 34 36 Te 0.94214400052171 0.63325625102017 0.18385814607597 127.600 > 34 37 Cl 0.05316921882614 0.87156338662107 0.89629684192165 35.453 > 37 38 Cl 0.38650255215947 0.87156338662107 0.89629684192165 35.453 > 37 39 Cl 0.71983588549280 0.87156338662107 0.89629684192165 35.453 > 37 40 Cl 0.05316921882614 0.62843661337893 0.39629684192164 35.453 > 40 41 Cl 0.38650255215947 0.62843661337893 0.39629684192164 35.453 > 40 42 Cl 0.71983588549280 0.62843661337893 0.39629684192164 35.453 > 40 43 Cl 0.28016411450720 0.12843661337893 0.10370315807836 35.453 > 43 44 Cl 0.61349744784053 0.12843661337893 0.10370315807836 35.453 > 43 45 Cl 0.94683078117386 0.12843661337893 0.10370315807836 35.453 > 43 46 Cl 0.28016411450720 0.37156338662107 0.60370315807835 35.453 > 46 47 Cl 0.61349744784053 0.37156338662107 0.60370315807835 35.453 > 46 48 Cl 0.94683078117386 0.37156338662107 0.60370315807835 35.453 > 46 49 F 0.20538150730520 0.75700100291917 0.24164906435623 18.998 > 49 50 F 0.53871484063853 0.75700100291917 0.24164906435623 18.998 > 49 51 F 0.87204817397186 0.75700100291917 0.24164906435623 18.998 > 49 52 F 0.04075280131125 0.27699534722772 0.39831844875093 18.998 > 52 53 F 0.37408613464458 0.27699534722772 0.39831844875093 18.998 > 52 54 F 0.70741946797791 0.27699534722772 0.39831844875093 18.998 > 52 55 F 0.29002409796398 0.99606181042031 0.59114657004590 18.998 > 55 56 F 0.62335743129732 0.99606181042031 0.59114657004590 18.998 > 55 57 F 0.95669076463065 0.99606181042031 0.59114657004590 18.998 > 55 58 F 0.29258053202209 0.72300465277228 0.60168155124906 18.998 > 58 59 F 0.62591386535542 0.72300465277228 0.60168155124906 18.998 > 58 60 F 0.95924719868875 0.72300465277228 0.60168155124906 18.998 > 58 61 F 0.20227222852016 0.49844226139280 0.22787408783490 18.998 > 61 62 F 0.53560556185349 0.49844226139280 0.22787408783490 18.998 > 61 63 F 0.86893889518683 0.49844226139280 0.22787408783490 18.998 > 61 64 F 0.18867605078935 0.35859070605858 0.90648480276545 18.998 > 64 65 F 0.52200938412268 0.35859070605858 0.90648480276545 18.998 > 64 66 F 0.85534271745602 0.35859070605858 0.90648480276545 18.998 > 64 67 F 0.20538150730520 0.74299899708083 0.74164906435623 18.998 > 67 68 F 0.53871484063853 0.74299899708083 0.74164906435623 18.998 > 67 69 F 0.87204817397186 0.74299899708083 0.74164906435623 18.998 > 67 70 F 0.04330923536935 0.49606181042031 0.90885342995410 18.998 > 70 71 F 0.37664256870268 0.49606181042031 0.90885342995410 18.998 > 70 72 F 0.70997590203602 0.49606181042031 0.90885342995410 18.998 > 70 73 F 0.14465728254398 0.85859070605858 0.59351519723455 18.998 > 73 74 F 0.47799061587732 0.85859070605858 0.59351519723455 18.998 > 73 75 F 0.81132394921065 0.85859070605858 0.59351519723455 18.998 > 73 76 F 0.04075280131125 0.22300465277228 0.89831844875094 18.998 > 76 77 F 0.37408613464458 0.22300465277228 0.89831844875094 18.998 > 76 78 F 0.70741946797791 0.22300465277228 0.89831844875094 18.998 > 76 79 F 0.20227222852016 0.00155773860720 0.72787408783490 18.998 > 79 80 F 0.53560556185349 0.00155773860720 0.72787408783490 18.998 > 79 81 F 0.86893889518683 0.00155773860720 0.72787408783490 18.998 > 79 82 F 0.12795182602814 0.24299899708083 0.75835093564377 18.998 > 82 83 F 0.46128515936147 0.24299899708083 0.75835093564377 18.998 > 82 84 F 0.79461849269480 0.24299899708083 0.75835093564377 18.998 > 82 85 F 0.18867605078935 0.14140929394142 0.40648480276545 18.998 > 85 86 F 0.52200938412268 0.14140929394142 0.40648480276545 18.998 > 85 87 F 0.85534271745602 0.14140929394142 0.40648480276545 18.998 > 85 88 F 0.14465728254398 0.64140929394142 0.09351519723455 18.998 > 88 89 F 0.47799061587732 0.64140929394142 0.09351519723455 18.998 > 88 90 F 0.81132394921065 0.64140929394142 0.09351519723455 18.998 > 88 91 F 0.29002409796398 0.50393818957969 0.09114657004590 18.998 > 91 92 F 0.62335743129732 0.50393818957969 0.09114657004590 18.998 > 91 93 F 0.95669076463065 0.50393818957969 0.09114657004590 18.998 > 91 94 F 0.29258053202209 0.77699534722772 0.10168155124906 18.998 > 94 95 F 0.62591386535542 0.77699534722772 0.10168155124906 18.998 > 94 96 F 0.95924719868875 0.77699534722772 0.10168155124906 18.998 > 94 97 F 0.13106110481317 0.99844226139280 0.27212591216510 18.998 > 97 98 F 0.46439443814651 0.99844226139280 0.27212591216510 18.998 > 97 99 F 0.79772777147984 0.99844226139280 0.27212591216510 18.998 > 97 100 F 0.13106110481317 0.50155773860720 0.77212591216510 18.998 > 100 101 F 0.46439443814651 0.50155773860720 0.77212591216510 18.998 > 100 102 F 0.79772777147984 0.50155773860720 0.77212591216510 18.998 > 100 103 F 0.12795182602814 0.25700100291917 0.25835093564377 18.998 > 103 104 F 0.46128515936147 0.25700100291917 0.25835093564377 18.998 > 103 105 F 0.79461849269480 0.25700100291917 0.25835093564377 18.998 > 103 106 F 0.04330923536935 0.00393818957969 0.40885342995410 18.998 > 106 107 F 0.37664256870268 0.00393818957969 0.40885342995410 18.998 > 106 108 F 0.70997590203602 0.00393818957969 0.40885342995410 18.998 > 106 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.2514453 0.0000000 -0.0213577 0.0000000 2.3050233 0.0000000 -0.0213571 0.0000000 2.5353164 -------------------------- Born effective charges -------------------------- 1 K 1.1573093 -0.0156062 -0.0179524 -0.0126365 1.2750751 0.0498562 -0.0285774 0.0295984 1.1706105 2 K 1.1669031 0.0055668 -0.0385138 0.0033651 1.2627300 -0.0236151 -0.0310050 -0.0050787 1.2806561 3 K 1.1669031 -0.0055668 -0.0385138 -0.0033651 1.2627300 0.0236151 -0.0310050 0.0050787 1.2806561 4 K 1.1573093 0.0156062 -0.0179524 0.0126365 1.2750751 -0.0498562 -0.0285774 -0.0295984 1.1706105 5 K 1.1573093 0.0156062 -0.0179524 0.0126365 1.2750751 -0.0498562 -0.0285774 -0.0295984 1.1706105 6 K 1.1669031 0.0055668 -0.0385138 0.0033651 1.2627300 -0.0236151 -0.0310050 -0.0050787 1.2806561 7 K 1.1573093 -0.0156062 -0.0179524 -0.0126365 1.2750751 0.0498562 -0.0285774 0.0295984 1.1706105 8 K 1.1669031 -0.0055668 -0.0385138 -0.0033651 1.2627300 0.0236151 -0.0310050 0.0050787 1.2806561 9 Te 3.4904691 0.0148614 -0.4235653 0.0315537 3.9647675 -0.0105427 -0.3609408 -0.0818602 4.3591889 10 Te 3.4904691 -0.0148614 -0.4235653 -0.0315537 3.9647675 0.0105427 -0.3609408 0.0818602 4.3591889 11 Te 3.4904691 -0.0148614 -0.4235653 -0.0315537 3.9647675 0.0105427 -0.3609408 0.0818602 4.3591889 12 Te 3.4904691 0.0148614 -0.4235653 0.0315537 3.9647675 -0.0105427 -0.3609408 -0.0818602 4.3591889 13 Cl -1.0103124 -0.0049972 -0.1186159 -0.0029452 -0.9524862 -0.0286926 -0.0813746 -0.0438640 -1.5731738 14 Cl -1.0103124 0.0049972 -0.1186159 0.0029452 -0.9524862 0.0286926 -0.0813746 0.0438640 -1.5731738 15 Cl -1.0103124 -0.0049972 -0.1186159 -0.0029452 -0.9524862 -0.0286926 -0.0813746 -0.0438640 -1.5731738 16 Cl -1.0103124 0.0049972 -0.1186159 0.0029452 -0.9524862 0.0286926 -0.0813746 0.0438640 -1.5731738 17 F -1.1040173 0.5319297 0.1951745 0.6042886 -1.1180023 -0.2453477 0.3110402 -0.2981892 -0.8440881 18 F -0.7856702 0.3596210 0.2856724 0.2348086 -1.3869500 -0.6634018 0.1885015 -0.8035763 -1.2079508 19 F -0.7525397 -0.3374711 0.3323604 -0.2190879 -1.2174766 0.6569985 0.2161560 0.7713451 -1.3189058 20 F -0.7856702 0.3596210 0.2856724 0.2348086 -1.3869500 -0.6634018 0.1885015 -0.8035763 -1.2079508 21 F -1.0837461 -0.5502320 0.1464208 -0.6596624 -1.2217501 0.2281982 0.2982366 0.3322322 -0.7925801 22 F -1.0783959 0.0366646 -0.3609807 0.0314705 -0.6059073 0.0334972 -0.5120365 0.0569785 -1.0737570 23 F -1.1040173 -0.5319297 0.1951745 -0.6042886 -1.1180023 0.2453477 0.3110402 0.2981892 -0.8440881 24 F -0.7525397 0.3374711 0.3323604 0.2190879 -1.2174766 -0.6569985 0.2161560 -0.7713451 -1.3189058 25 F -1.0783959 -0.0366646 -0.3609807 -0.0314705 -0.6059073 -0.0334972 -0.5120365 -0.0569785 -1.0737570 26 F -0.7856702 -0.3596210 0.2856724 -0.2348086 -1.3869500 0.6634018 0.1885015 0.8035763 -1.2079508 27 F -1.0837461 0.5502320 0.1464208 0.6596624 -1.2217501 -0.2281982 0.2982366 -0.3322322 -0.7925801 28 F -1.1040173 0.5319297 0.1951745 0.6042886 -1.1180023 -0.2453477 0.3110402 -0.2981892 -0.8440881 29 F -1.0783959 -0.0366646 -0.3609807 -0.0314705 -0.6059073 -0.0334972 -0.5120365 -0.0569785 -1.0737570 30 F -1.0783959 0.0366646 -0.3609807 0.0314705 -0.6059073 0.0334972 -0.5120365 0.0569785 -1.0737570 31 F -0.7525397 0.3374711 0.3323604 0.2190879 -1.2174766 -0.6569985 0.2161560 -0.7713451 -1.3189058 32 F -0.7856702 -0.3596210 0.2856724 -0.2348086 -1.3869500 0.6634018 0.1885015 0.8035763 -1.2079508 33 F -1.0837461 0.5502320 0.1464208 0.6596624 -1.2217501 -0.2281982 0.2982366 -0.3322322 -0.7925801 34 F -1.0837461 -0.5502320 0.1464208 -0.6596624 -1.2217501 0.2281982 0.2982366 0.3322322 -0.7925801 35 F -1.1040173 -0.5319297 0.1951745 -0.6042886 -1.1180023 0.2453477 0.3110402 0.2981892 -0.8440881 36 F -0.7525397 -0.3374711 0.3323604 -0.2190879 -1.2174766 0.6569985 0.2161560 0.7713451 -1.3189058 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xzz) -0.00000000 (xzz) -0.00000000 (xzz) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 11 5 3 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.46, Number of G-points: 291, Lambda: 0.07 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/51) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.714 ( 0.000 0.000 0.000) 0.000 0.881 ( 0.000 0.000 0.000) 0.000 1.069 ( 0.000 0.000 0.000) 0.000 1.177 ( 0.000 0.000 0.000) 0.000 1.250 ( 0.000 0.000 0.000) 0.000 1.308 ( 0.000 0.000 0.000) 0.000 1.332 ( 0.000 0.000 0.000) 0.000 1.476 ( 0.000 0.000 0.000) 0.000 1.499 ( 0.000 0.000 0.000) 0.000 1.683 ( 0.000 0.000 0.000) 0.000 1.847 ( 0.000 0.000 0.000) 0.000 1.859 ( 0.000 0.000 0.000) 0.000 1.866 ( 0.000 0.000 0.000) 0.000 1.900 ( 0.000 0.000 0.000) 0.000 1.923 ( 0.000 0.000 0.000) 0.000 1.928 ( 0.000 0.000 0.000) 0.000 2.000 ( 0.000 0.000 0.000) 0.000 2.089 ( 0.000 0.000 0.000) 0.000 2.128 ( 0.000 0.000 0.000) 0.000 2.158 ( 0.000 0.000 0.000) 0.000 2.169 ( 0.000 0.000 0.000) 0.000 2.333 ( 0.000 0.000 0.000) 0.000 2.398 ( 0.000 0.000 0.000) 0.000 2.417 ( 0.000 0.000 0.000) 0.000 2.534 ( 0.000 0.000 0.000) 0.000 2.598 ( 0.000 0.000 0.000) 0.000 2.657 ( 0.000 0.000 0.000) 0.000 2.695 ( 0.000 0.000 0.000) 0.000 2.794 ( 0.000 0.000 0.000) 0.000 2.797 ( 0.000 0.000 0.000) 0.000 2.867 ( 0.000 0.000 0.000) 0.000 3.088 ( 0.000 0.000 0.000) 0.000 3.105 ( 0.000 0.000 0.000) 0.000 3.106 ( 0.000 0.000 0.000) 0.000 3.135 ( 0.000 0.000 0.000) 0.000 3.149 ( 0.000 0.000 0.000) 0.000 3.168 ( 0.000 0.000 0.000) 0.000 3.259 ( 0.000 0.000 0.000) 0.000 3.371 ( 0.000 0.000 0.000) 0.000 3.518 ( 0.000 0.000 0.000) 0.000 3.574 ( 0.000 0.000 0.000) 0.000 3.622 ( 0.000 0.000 0.000) 0.000 3.681 ( 0.000 0.000 0.000) 0.000 3.723 ( 0.000 0.000 0.000) 0.000 3.805 ( 0.000 0.000 0.000) 0.000 3.899 ( 0.000 0.000 0.000) 0.000 3.916 ( 0.000 0.000 0.000) 0.000 4.049 ( 0.000 0.000 0.000) 0.000 4.134 ( 0.000 0.000 0.000) 0.000 4.140 ( 0.000 0.000 0.000) 0.000 4.218 ( 0.000 0.000 0.000) 0.000 4.322 ( 0.000 0.000 0.000) 0.000 4.361 ( 0.000 0.000 0.000) 0.000 4.555 ( 0.000 0.000 0.000) 0.000 4.602 ( 0.000 0.000 0.000) 0.000 4.724 ( 0.000 0.000 0.000) 0.000 4.809 ( 0.000 0.000 0.000) 0.000 4.851 ( 0.000 0.000 0.000) 0.000 4.866 ( 0.000 0.000 0.000) 0.000 4.871 ( 0.000 0.000 0.000) 0.000 5.208 ( 0.000 0.000 0.000) 0.000 5.422 ( 0.000 0.000 0.000) 0.000 5.431 ( 0.000 0.000 0.000) 0.000 5.442 ( 0.000 0.000 0.000) 0.000 5.443 ( 0.000 0.000 0.000) 0.000 6.505 ( 0.000 0.000 0.000) 0.000 6.542 ( 0.000 0.000 0.000) 0.000 6.645 ( 0.000 0.000 0.000) 0.000 6.672 ( 0.000 0.000 0.000) 0.000 6.888 ( 0.000 0.000 0.000) 0.000 6.926 ( 0.000 0.000 0.000) 0.000 6.946 ( 0.000 0.000 0.000) 0.000 6.992 ( 0.000 0.000 0.000) 0.000 8.251 ( 0.000 0.000 0.000) 0.000 8.254 ( 0.000 0.000 0.000) 0.000 8.260 ( 0.000 0.000 0.000) 0.000 8.465 ( 0.000 0.000 0.000) 0.000 9.598 ( 0.000 0.000 0.000) 0.000 9.713 ( 0.000 0.000 0.000) 0.000 9.745 ( 0.000 0.000 0.000) 0.000 9.751 ( 0.000 0.000 0.000) 0.000 10.023 ( 0.000 0.000 0.000) 0.000 10.033 ( 0.000 0.000 0.000) 0.000 10.042 ( 0.000 0.000 0.000) 0.000 10.063 ( 0.000 0.000 0.000) 0.000 12.880 ( 0.000 0.000 0.000) 0.000 12.950 ( 0.000 0.000 0.000) 0.000 12.976 ( 0.000 0.000 0.000) 0.000 13.172 ( 0.000 0.000 0.000) 0.000 13.248 ( 0.000 0.000 0.000) 0.000 13.288 ( 0.000 0.000 0.000) 0.000 13.459 ( 0.000 0.000 0.000) 0.000 13.816 ( 0.000 0.000 0.000) 0.000 14.085 ( 0.000 0.000 0.000) 0.000 14.102 ( 0.000 0.000 0.000) 0.000 14.709 ( 0.000 0.000 0.000) 0.000 15.072 ( 0.000 0.000 0.000) 0.000 15.185 ( 0.000 0.000 0.000) 0.000 15.239 ( 0.000 0.000 0.000) 0.000 15.566 ( 0.000 0.000 0.000) 0.000 15.599 ( 0.000 0.000 0.000) 0.000 17.015 ( 0.000 0.000 0.000) 0.000 17.106 ( 0.000 0.000 0.000) 0.000 17.145 ( 0.000 0.000 0.000) 0.000 17.464 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/51) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.257 ( 9.358 0.000 14.724) 17.446 0.408 ( 18.443 0.000 4.760) 19.047 0.508 ( 22.194 0.000 7.064) 23.291 0.821 ( 10.536 0.000 -3.879) 11.227 0.931 ( 5.760 0.000 -3.409) 6.693 1.153 ( 6.815 0.000 -0.176) 6.817 1.227 ( 1.430 0.000 1.136) 1.826 1.290 ( 7.650 0.000 -6.259) 9.884 1.301 ( -1.374 0.000 2.729) 3.055 1.367 ( 2.793 0.000 2.457) 3.720 1.406 ( -3.427 0.000 -1.014) 3.574 1.534 ( 1.043 0.000 0.084) 1.047 1.674 ( 0.114 0.000 -3.462) 3.463 1.786 ( -2.791 0.000 1.087) 2.995 1.854 ( 0.202 0.000 -2.442) 2.450 1.881 ( -2.925 0.000 -1.103) 3.126 1.883 ( -1.703 0.000 1.345) 2.170 1.907 ( 0.289 0.000 2.029) 2.050 1.913 ( -1.571 0.000 1.067) 1.899 2.018 ( 0.568 0.000 4.115) 4.154 2.107 ( 2.647 0.000 -2.598) 3.709 2.164 ( 0.841 0.000 1.505) 1.724 2.207 ( 4.293 0.000 -1.706) 4.619 2.249 ( 4.313 0.000 2.432) 4.952 2.375 ( 0.516 0.000 0.207) 0.556 2.423 ( 5.457 0.000 -4.711) 7.209 2.514 ( 7.219 0.000 -3.473) 8.011 2.562 ( 1.594 0.000 -0.033) 1.595 2.621 ( 1.347 0.000 2.296) 2.662 2.649 ( 0.411 0.000 -2.618) 2.650 2.706 ( 0.666 0.000 0.898) 1.118 2.799 ( 0.914 0.000 -1.607) 1.849 2.825 ( 2.696 0.000 0.068) 2.696 2.892 ( 1.972 0.000 1.782) 2.658 3.075 ( -1.718 0.000 3.960) 4.316 3.079 ( -1.331 0.000 -2.150) 2.528 3.169 ( 2.244 0.000 2.552) 3.398 3.173 ( 1.785 0.000 -4.663) 4.993 3.178 ( 3.131 0.000 1.156) 3.338 3.204 ( 1.714 0.000 0.648) 1.832 3.275 ( 1.039 0.000 0.098) 1.044 3.369 ( 0.437 0.000 -2.510) 2.548 3.450 ( -2.826 0.000 -2.693) 3.904 3.561 ( -1.712 0.000 1.481) 2.263 3.642 ( -3.773 0.000 -0.109) 3.775 3.690 ( 0.930 0.000 1.405) 1.684 3.714 ( -1.149 0.000 2.273) 2.547 3.844 ( -2.573 0.000 -3.911) 4.681 3.929 ( 0.016 0.000 0.001) 0.016 4.076 ( 2.644 0.000 -1.197) 2.902 4.102 ( -3.339 0.000 2.678) 4.280 4.141 ( 0.168 0.000 -1.605) 1.613 4.197 ( -2.003 0.000 1.431) 2.462 4.298 ( -6.369 0.000 7.553) 9.880 4.328 ( 0.892 0.000 -1.348) 1.617 4.369 ( -0.848 0.000 4.156) 4.241 4.565 ( 0.284 0.000 2.239) 2.257 4.649 ( -4.882 0.000 -2.478) 5.475 4.792 ( -2.238 0.000 -2.482) 3.342 4.824 ( -4.531 0.000 8.702) 9.810 4.861 ( -0.589 0.000 -1.655) 1.756 4.893 ( 1.999 0.000 -0.011) 1.999 4.982 ( 1.302 0.000 -2.878) 3.159 5.146 ( -5.781 0.000 2.220) 6.193 5.383 ( -2.670 0.000 -1.819) 3.230 5.403 ( -3.878 0.000 1.362) 4.110 5.433 ( -0.864 0.000 -0.399) 0.951 5.437 ( -0.370 0.000 -1.152) 1.210 6.497 ( -1.168 0.000 -0.015) 1.169 6.530 ( -1.102 0.000 -0.182) 1.117 6.633 ( -1.219 0.000 0.107) 1.224 6.660 ( -1.230 0.000 -0.084) 1.232 6.887 ( -0.108 0.000 -0.188) 0.217 6.900 ( -1.861 0.000 0.956) 2.092 6.968 ( 1.706 0.000 -1.895) 2.549 7.052 ( -1.991 0.000 1.709) 2.623 8.278 ( 2.441 0.000 -0.306) 2.460 8.288 ( 3.661 0.000 -0.222) 3.668 8.526 ( 6.990 0.000 -5.393) 8.828 8.877 ( -11.918 0.000 35.326) 37.282 9.654 ( 2.879 0.000 -9.343) 9.777 9.701 ( -1.378 0.000 0.670) 1.532 9.740 ( -0.400 0.000 -0.206) 0.450 9.747 ( -0.482 0.000 0.213) 0.527 10.031 ( 0.752 0.000 -0.878) 1.156 10.042 ( 0.778 0.000 0.184) 0.799 10.047 ( 0.452 0.000 -0.076) 0.458 10.063 ( 0.080 0.000 0.154) 0.174 12.876 ( -0.337 0.000 -0.108) 0.354 12.935 ( -1.437 0.000 -0.166) 1.446 13.018 ( -0.292 0.000 -1.699) 1.724 13.130 ( -7.571 0.000 -2.152) 7.871 13.275 ( -2.705 0.000 2.072) 3.408 13.335 ( 8.542 0.000 -36.571) 37.555 13.457 ( 3.624 0.000 -13.658) 14.130 13.866 ( 0.513 0.000 7.826) 7.843 14.078 ( -0.755 0.000 0.307) 0.815 14.092 ( -0.878 0.000 -0.308) 0.931 14.739 ( 1.406 0.000 -6.315) 6.470 15.130 ( 1.251 0.000 5.702) 5.837 15.207 ( 1.486 0.000 1.316) 1.985 15.296 ( 5.355 0.000 1.642) 5.601 15.508 ( -5.615 0.000 0.393) 5.628 15.543 ( -5.024 0.000 -2.001) 5.408 17.128 ( 2.037 0.000 0.675) 2.146 17.147 ( 0.662 0.000 -0.641) 0.921 17.401 ( -3.769 0.000 -5.296) 6.500 17.594 ( -5.052 0.000 15.258) 16.073 ======================= Grid point 2 (3/51) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( 11.687 0.000 12.907) 17.412 0.766 ( 14.401 0.000 3.824) 14.900 0.924 ( 14.620 0.000 5.303) 15.552 1.016 ( 10.304 0.000 -4.550) 11.264 1.040 ( 6.195 0.000 -2.959) 6.866 1.210 ( -1.842 0.000 -1.313) 2.262 1.250 ( 1.863 0.000 -2.232) 2.907 1.306 ( -0.185 0.000 3.132) 3.138 1.388 ( 3.561 0.000 -4.787) 5.966 1.401 ( 3.493 0.000 0.576) 3.541 1.456 ( 3.801 0.000 1.475) 4.077 1.534 ( -0.238 0.000 -2.502) 2.514 1.683 ( 2.797 0.000 -1.288) 3.079 1.781 ( 0.903 0.000 3.597) 3.709 1.849 ( 1.305 0.000 -2.413) 2.744 1.849 ( 3.121 0.000 -2.702) 4.128 1.871 ( -1.243 0.000 0.939) 1.557 1.887 ( 0.170 0.000 2.573) 2.579 1.925 ( 1.025 0.000 0.394) 1.098 2.054 ( 0.533 0.000 3.660) 3.699 2.170 ( 5.093 0.000 -1.683) 5.364 2.193 ( 1.653 0.000 0.939) 1.901 2.305 ( 5.052 0.000 -2.145) 5.488 2.334 ( 3.132 0.000 0.374) 3.154 2.411 ( 3.789 0.000 -1.294) 4.004 2.529 ( 6.420 0.000 -3.173) 7.161 2.598 ( 2.035 0.000 -2.957) 3.590 2.617 ( 4.105 0.000 -0.243) 4.112 2.664 ( 1.089 0.000 3.077) 3.264 2.666 ( 3.750 0.000 -4.202) 5.632 2.752 ( 3.273 0.000 1.257) 3.506 2.815 ( 1.916 0.000 -1.626) 2.513 2.893 ( 4.776 0.000 -1.453) 4.992 2.952 ( 1.558 0.000 3.976) 4.270 3.036 ( -2.275 0.000 0.991) 2.481 3.086 ( 0.730 0.000 3.096) 3.181 3.170 ( 1.767 0.000 -8.335) 8.521 3.199 ( -0.467 0.000 2.310) 2.357 3.253 ( 2.482 0.000 -0.094) 2.484 3.286 ( 4.210 0.000 3.523) 5.489 3.295 ( 0.745 0.000 2.655) 2.758 3.360 ( 1.105 0.000 -1.735) 2.057 3.415 ( 0.252 0.000 -1.515) 1.536 3.509 ( -4.879 0.000 0.196) 4.883 3.571 ( -2.002 0.000 1.501) 2.502 3.609 ( -4.579 0.000 -0.977) 4.682 3.765 ( -2.881 0.000 -3.660) 4.658 3.774 ( 1.720 0.000 2.649) 3.159 3.924 ( -0.941 0.000 1.585) 1.843 4.048 ( -3.164 0.000 1.485) 3.495 4.116 ( 1.732 0.000 -1.169) 2.089 4.124 ( -1.235 0.000 -1.588) 2.012 4.182 ( 0.339 0.000 0.540) 0.638 4.196 ( -6.298 0.000 2.708) 6.856 4.335 ( 0.175 0.000 -0.172) 0.246 4.354 ( -4.280 0.000 5.525) 6.989 4.538 ( -4.385 0.000 -1.753) 4.722 4.585 ( -0.012 0.000 2.903) 2.903 4.701 ( -3.276 0.000 -6.229) 7.038 4.763 ( -4.828 0.000 1.007) 4.932 4.830 ( -1.243 0.000 -1.892) 2.264 4.917 ( 0.332 0.000 -0.409) 0.527 4.995 ( 1.198 0.000 -1.431) 1.866 5.059 ( -4.593 0.000 4.521) 6.445 5.304 ( -4.165 0.000 -1.377) 4.387 5.319 ( -5.307 0.000 1.473) 5.508 5.403 ( -1.920 0.000 -0.444) 1.970 5.407 ( -1.975 0.000 -0.699) 2.095 6.466 ( -1.749 0.000 0.023) 1.749 6.500 ( -1.599 0.000 -0.407) 1.650 6.600 ( -2.155 0.000 0.184) 2.163 6.625 ( -2.094 0.000 -0.068) 2.095 6.871 ( -1.472 0.000 0.628) 1.600 6.878 ( -0.661 0.000 -0.341) 0.744 6.980 ( 0.483 0.000 -1.421) 1.501 7.019 ( -1.965 0.000 1.094) 2.249 8.338 ( 3.600 0.000 -0.474) 3.631 8.380 ( 5.444 0.000 -0.685) 5.487 8.642 ( 7.810 0.000 -7.277) 10.675 8.844 ( -7.137 0.000 16.751) 18.208 9.655 ( 1.165 0.000 -3.641) 3.823 9.672 ( -1.915 0.000 1.111) 2.214 9.728 ( -0.584 0.000 -0.317) 0.664 9.734 ( -0.908 0.000 0.248) 0.942 10.045 ( 0.982 0.000 -0.504) 1.104 10.054 ( 0.237 0.000 0.200) 0.310 10.064 ( 1.201 0.000 0.379) 1.259 10.075 ( 1.058 0.000 -0.144) 1.067 12.865 ( -0.688 0.000 -0.334) 0.765 12.895 ( -2.339 0.000 -0.179) 2.346 12.994 ( -1.823 0.000 0.747) 1.970 13.002 ( -3.830 0.000 -0.745) 3.902 13.211 ( -4.538 0.000 1.190) 4.691 13.287 ( 0.135 0.000 -6.991) 6.993 13.436 ( 2.866 0.000 -14.188) 14.474 13.895 ( -2.165 0.000 8.281) 8.559 14.061 ( -1.072 0.000 0.593) 1.225 14.069 ( -1.124 0.000 -0.397) 1.192 14.722 ( -1.337 0.000 0.410) 1.398 15.137 ( -3.560 0.000 4.717) 5.910 15.240 ( 0.090 0.000 2.766) 2.768 15.325 ( -6.721 0.000 -2.252) 7.089 15.397 ( -7.763 0.000 -2.459) 8.143 15.421 ( -2.994 0.000 5.917) 6.631 17.181 ( 3.882 0.000 -1.318) 4.100 17.193 ( 3.990 0.000 0.918) 4.094 17.312 ( -0.623 0.000 -6.041) 6.073 17.584 ( -1.864 0.000 4.528) 4.897 ======================= Grid point 3 (4/51) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( 11.620 0.000 10.568) 15.707 0.991 ( 5.471 0.000 3.390) 6.437 1.089 ( 2.567 0.000 -2.149) 3.347 1.125 ( 0.965 0.000 -4.824) 4.920 1.156 ( 5.300 0.000 1.971) 5.655 1.166 ( 1.136 0.000 0.517) 1.248 1.254 ( -1.564 0.000 -0.198) 1.577 1.332 ( 1.016 0.000 4.360) 4.477 1.362 ( -1.962 0.000 -3.533) 4.041 1.427 ( -2.199 0.000 -0.879) 2.368 1.529 ( 3.427 0.000 -7.166) 7.943 1.547 ( 2.708 0.000 2.597) 3.752 1.742 ( 5.600 0.000 -0.747) 5.650 1.856 ( 0.666 0.000 0.036) 0.667 1.867 ( 4.726 0.000 3.834) 6.085 1.903 ( 3.434 0.000 0.717) 3.508 1.920 ( 1.056 0.000 -0.070) 1.058 1.954 ( 4.387 0.000 3.380) 5.538 2.025 ( 11.508 0.000 -4.068) 12.206 2.081 ( 0.648 0.000 0.882) 1.095 2.259 ( 4.578 0.000 0.569) 4.613 2.276 ( 5.935 0.000 -1.747) 6.187 2.334 ( -0.214 0.000 -0.130) 0.250 2.383 ( 1.892 0.000 -0.423) 1.939 2.519 ( 5.187 0.000 0.096) 5.188 2.599 ( 3.450 0.000 -6.842) 7.663 2.618 ( 4.063 0.000 -3.529) 5.382 2.689 ( 0.241 0.000 3.710) 3.718 2.724 ( 3.992 0.000 -2.942) 4.959 2.727 ( 5.772 0.000 0.304) 5.780 2.776 ( -0.770 0.000 -2.389) 2.510 2.849 ( 2.152 0.000 -2.239) 3.106 2.973 ( -1.800 0.000 4.601) 4.941 3.011 ( -1.928 0.000 2.841) 3.433 3.017 ( 6.935 0.000 -0.135) 6.937 3.119 ( -0.586 0.000 0.894) 1.069 3.153 ( 0.360 0.000 -3.781) 3.798 3.177 ( -0.584 0.000 -0.013) 0.584 3.268 ( 0.256 0.000 -1.317) 1.341 3.321 ( 1.073 0.000 -1.784) 2.081 3.356 ( 3.533 0.000 1.239) 3.744 3.410 ( -2.085 0.000 -0.603) 2.171 3.419 ( 0.263 0.000 0.409) 0.486 3.444 ( 1.260 0.000 3.829) 4.031 3.545 ( -1.239 0.000 -0.357) 1.289 3.583 ( 1.578 0.000 5.674) 5.890 3.693 ( -2.860 0.000 -1.013) 3.034 3.804 ( 0.152 0.000 1.844) 1.850 3.910 ( -1.387 0.000 1.858) 2.319 3.990 ( -2.956 0.000 -2.784) 4.060 4.054 ( -4.265 0.000 1.139) 4.414 4.126 ( -0.302 0.000 -0.904) 0.954 4.133 ( -0.392 0.000 -1.227) 1.288 4.207 ( 1.454 0.000 -1.403) 2.021 4.275 ( -4.382 0.000 3.992) 5.928 4.332 ( -1.132 0.000 2.047) 2.339 4.472 ( -1.726 0.000 -0.586) 1.822 4.592 ( -0.805 0.000 1.414) 1.627 4.621 ( -1.474 0.000 -4.059) 4.319 4.645 ( -6.188 0.000 -2.529) 6.685 4.802 ( -0.682 0.000 -0.301) 0.746 4.904 ( -1.013 0.000 -1.100) 1.495 5.005 ( -4.164 0.000 4.442) 6.088 5.006 ( 0.347 0.000 -0.908) 0.972 5.210 ( -4.286 0.000 -0.932) 4.386 5.220 ( -5.107 0.000 0.973) 5.199 5.354 ( -2.755 0.000 -0.293) 2.770 5.354 ( -2.801 0.000 -0.621) 2.869 6.433 ( -1.526 0.000 0.031) 1.526 6.467 ( -1.287 0.000 -0.612) 1.425 6.553 ( -2.592 0.000 0.286) 2.608 6.580 ( -2.419 0.000 0.006) 2.419 6.851 ( -0.874 0.000 0.594) 1.056 6.857 ( -1.062 0.000 -0.413) 1.140 6.973 ( -0.435 0.000 -1.019) 1.108 6.993 ( -1.238 0.000 0.836) 1.493 8.403 ( 2.996 0.000 -0.298) 3.011 8.482 ( 5.305 0.000 -1.411) 5.490 8.730 ( 5.067 0.000 -6.357) 8.129 8.799 ( -5.595 0.000 10.370) 11.782 9.644 ( -1.465 0.000 1.099) 1.832 9.657 ( 0.536 0.000 -1.619) 1.705 9.716 ( -0.495 0.000 -0.275) 0.566 9.716 ( -1.026 0.000 0.133) 1.034 10.062 ( 1.017 0.000 -0.447) 1.111 10.063 ( 0.558 0.000 0.347) 0.658 10.091 ( 1.213 0.000 0.469) 1.301 10.097 ( 1.156 0.000 -0.318) 1.199 12.844 ( -1.221 0.000 -0.392) 1.282 12.848 ( -2.220 0.000 0.087) 2.222 12.957 ( -2.407 0.000 1.240) 2.708 12.967 ( 0.463 0.000 -1.039) 1.137 13.118 ( -5.205 0.000 0.772) 5.262 13.267 ( -0.417 0.000 1.315) 1.380 13.408 ( 2.332 0.000 -11.639) 11.870 13.897 ( -2.032 0.000 7.097) 7.382 14.045 ( -0.799 0.000 0.512) 0.949 14.048 ( -0.604 0.000 -0.319) 0.683 14.689 ( -2.839 0.000 2.352) 3.686 15.031 ( -10.089 0.000 2.667) 10.436 15.148 ( -7.627 0.000 -2.218) 7.943 15.194 ( -7.849 0.000 1.608) 8.012 15.264 ( -2.528 0.000 -1.039) 2.734 15.344 ( -5.769 0.000 0.854) 5.831 17.281 ( 5.415 0.000 -1.704) 5.676 17.293 ( 5.292 0.000 1.177) 5.422 17.312 ( 3.517 0.000 -1.772) 3.938 17.577 ( -0.384 0.000 0.669) 0.772 ======================= Grid point 4 (5/51) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( -3.535 0.000 3.856) 5.231 1.069 ( 2.785 0.000 -0.293) 2.800 1.099 ( 0.847 0.000 -1.859) 2.043 1.127 ( 4.658 0.000 0.564) 4.692 1.191 ( -4.902 0.000 3.098) 5.799 1.200 ( 1.403 0.000 -1.806) 2.287 1.228 ( 0.698 0.000 -0.126) 0.709 1.336 ( 1.430 0.000 5.901) 6.072 1.344 ( -3.845 0.000 3.395) 5.129 1.408 ( 2.913 0.000 -1.656) 3.351 1.552 ( 2.765 0.000 -6.056) 6.658 1.568 ( -0.123 0.000 -1.508) 1.513 1.889 ( 2.097 0.000 0.581) 2.176 1.902 ( 9.033 0.000 -0.065) 9.033 1.921 ( 0.241 0.000 -0.249) 0.346 1.963 ( 1.513 0.000 2.008) 2.514 2.001 ( 6.122 0.000 2.613) 6.657 2.079 ( 4.534 0.000 -5.864) 7.412 2.083 ( 1.450 0.000 3.930) 4.189 2.211 ( 7.755 0.000 -2.643) 8.193 2.318 ( -1.531 0.000 0.471) 1.602 2.357 ( 4.331 0.000 -0.505) 4.361 2.371 ( 4.239 0.000 -0.734) 4.302 2.404 ( 1.453 0.000 -2.575) 2.957 2.573 ( 1.628 0.000 1.388) 2.139 2.586 ( -1.307 0.000 -4.104) 4.307 2.698 ( -0.398 0.000 0.781) 0.876 2.718 ( 1.316 0.000 2.033) 2.422 2.775 ( 7.430 0.000 -3.285) 8.124 2.788 ( -0.677 0.000 -4.087) 4.143 2.797 ( 4.043 0.000 -2.655) 4.837 2.904 ( 6.011 0.000 -2.628) 6.561 2.950 ( -3.377 0.000 3.711) 5.018 2.978 ( -2.020 0.000 3.994) 4.476 3.038 ( -4.328 0.000 -0.274) 4.336 3.104 ( -0.466 0.000 0.718) 0.856 3.144 ( -1.528 0.000 4.165) 4.436 3.213 ( 2.970 0.000 -1.254) 3.224 3.296 ( 3.368 0.000 -0.697) 3.439 3.323 ( 0.179 0.000 -1.672) 1.681 3.399 ( 0.429 0.000 0.571) 0.715 3.421 ( 2.109 0.000 -0.357) 2.139 3.438 ( 1.274 0.000 3.069) 3.323 3.451 ( -0.873 0.000 0.074) 0.876 3.529 ( -0.436 0.000 -1.453) 1.518 3.608 ( -2.327 0.000 -0.366) 2.356 3.726 ( 4.784 0.000 7.562) 8.948 3.789 ( -2.833 0.000 -1.629) 3.268 3.891 ( -1.580 0.000 1.371) 2.092 3.905 ( -2.217 0.000 -2.411) 3.275 4.008 ( -1.313 0.000 -0.704) 1.490 4.103 ( -0.749 0.000 -0.027) 0.749 4.157 ( 3.296 0.000 -0.537) 3.340 4.180 ( -2.179 0.000 -0.645) 2.272 4.288 ( 1.786 0.000 0.059) 1.787 4.316 ( -1.978 0.000 3.358) 3.897 4.457 ( 0.065 0.000 1.194) 1.195 4.493 ( -7.075 0.000 -0.867) 7.128 4.582 ( -0.181 0.000 -3.204) 3.210 4.593 ( 0.925 0.000 -2.641) 2.798 4.803 ( 0.388 0.000 1.695) 1.739 4.872 ( -1.306 0.000 -1.140) 1.734 4.929 ( -6.069 0.000 3.399) 6.956 4.992 ( -1.232 0.000 -0.848) 1.496 5.133 ( -2.887 0.000 -0.650) 2.959 5.141 ( -3.018 0.000 0.519) 3.062 5.296 ( -2.558 0.000 -0.425) 2.593 5.297 ( -2.611 0.000 -0.225) 2.621 6.409 ( -0.843 0.000 0.018) 0.843 6.445 ( -0.391 0.000 -0.720) 0.819 6.505 ( -2.440 0.000 0.429) 2.477 6.534 ( -2.045 0.000 0.050) 2.046 6.836 ( -0.765 0.000 -0.377) 0.852 6.844 ( -0.213 0.000 0.585) 0.623 6.955 ( -0.706 0.000 -0.765) 1.040 6.979 ( -0.685 0.000 0.552) 0.880 8.450 ( 1.836 0.000 -0.062) 1.837 8.568 ( 4.486 0.000 -2.304) 5.043 8.748 ( -4.702 0.000 7.031) 8.458 8.768 ( 2.127 0.000 -4.132) 4.648 9.629 ( -0.638 0.000 0.752) 0.986 9.657 ( 0.237 0.000 -0.695) 0.734 9.697 ( -0.841 0.000 -0.011) 0.841 9.707 ( -0.278 0.000 -0.138) 0.311 10.078 ( 0.770 0.000 -0.361) 0.851 10.079 ( 0.700 0.000 0.396) 0.804 10.114 ( 0.725 0.000 -0.366) 0.812 10.115 ( 0.865 0.000 0.400) 0.953 12.813 ( -1.298 0.000 0.336) 1.341 12.814 ( -1.393 0.000 -0.274) 1.420 12.919 ( -1.985 0.000 1.058) 2.249 12.982 ( 0.842 0.000 -2.676) 2.805 13.032 ( -3.114 0.000 1.852) 3.623 13.279 ( 0.183 0.000 2.810) 2.816 13.395 ( 2.137 0.000 -7.568) 7.864 13.904 ( -1.069 0.000 5.238) 5.346 14.038 ( -0.091 0.000 0.204) 0.223 14.043 ( 0.146 0.000 -0.188) 0.238 14.642 ( -3.040 0.000 2.192) 3.747 14.807 ( -10.631 0.000 -2.012) 10.820 15.012 ( -5.581 0.000 -0.170) 5.584 15.042 ( -6.691 0.000 -0.271) 6.696 15.215 ( -2.686 0.000 0.417) 2.718 15.254 ( -3.192 0.000 -0.137) 3.195 17.331 ( 2.469 0.000 -2.234) 3.330 17.406 ( 4.941 0.000 1.504) 5.165 17.419 ( 4.800 0.000 1.119) 4.929 17.575 ( 0.072 0.000 -0.833) 0.836 ======================= Grid point 5 (6/51) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( -2.103 0.000 0.905) 2.290 1.076 ( 1.466 0.000 -4.189) 4.438 1.115 ( 0.544 0.000 0.709) 0.893 1.118 ( -3.825 0.000 4.075) 5.588 1.184 ( -0.028 0.000 0.537) 0.538 1.212 ( 0.989 0.000 -1.361) 1.682 1.220 ( 0.535 0.000 -1.126) 1.246 1.291 ( -2.198 0.000 0.793) 2.336 1.442 ( 0.914 0.000 -0.681) 1.140 1.460 ( 3.282 0.000 9.404) 9.960 1.543 ( -0.430 0.000 -5.386) 5.403 1.568 ( 1.074 0.000 -1.717) 2.025 1.914 ( -0.234 0.000 0.091) 0.251 1.936 ( 2.103 0.000 0.426) 2.145 1.982 ( -0.724 0.000 1.102) 1.319 2.044 ( 3.447 0.000 0.416) 3.472 2.061 ( 0.198 0.000 -2.157) 2.166 2.156 ( 8.130 0.000 1.542) 8.275 2.175 ( 3.420 0.000 -1.389) 3.691 2.263 ( -3.383 0.000 0.903) 3.501 2.289 ( 1.668 0.000 -0.734) 1.822 2.342 ( -4.388 0.000 -1.716) 4.711 2.422 ( 0.307 0.000 -3.805) 3.818 2.443 ( 2.349 0.000 0.065) 2.350 2.567 ( 1.984 0.000 1.762) 2.654 2.601 ( 0.113 0.000 0.536) 0.548 2.711 ( -3.116 0.000 -3.363) 4.585 2.735 ( 4.704 0.000 1.230) 4.862 2.754 ( 1.085 0.000 0.075) 1.088 2.827 ( -1.548 0.000 0.052) 1.549 2.887 ( 2.113 0.000 -0.645) 2.210 2.911 ( -1.330 0.000 1.184) 1.781 2.957 ( -0.141 0.000 0.660) 0.675 2.978 ( 1.135 0.000 -1.107) 1.585 3.015 ( 2.498 0.000 0.998) 2.690 3.055 ( -3.797 0.000 0.024) 3.797 3.134 ( -1.230 0.000 1.973) 2.325 3.270 ( 3.555 0.000 -1.636) 3.914 3.308 ( -1.245 0.000 0.603) 1.384 3.366 ( 2.124 0.000 1.513) 2.608 3.385 ( -1.000 0.000 -0.695) 1.218 3.431 ( -1.424 0.000 0.062) 1.425 3.450 ( 0.787 0.000 0.998) 1.272 3.505 ( 2.332 0.000 2.260) 3.248 3.509 ( 1.039 0.000 -1.207) 1.593 3.591 ( 0.331 0.000 0.550) 0.642 3.674 ( -5.277 0.000 -4.761) 7.107 3.809 ( -0.197 0.000 0.511) 0.547 3.886 ( -0.002 0.000 -0.196) 0.196 3.918 ( 3.673 0.000 3.291) 4.932 3.987 ( -0.505 0.000 0.064) 0.509 4.088 ( -2.567 0.000 0.779) 2.683 4.138 ( -0.208 0.000 -1.383) 1.399 4.235 ( 4.669 0.000 -1.924) 5.050 4.297 ( -2.485 0.000 3.961) 4.676 4.304 ( 0.381 0.000 -0.852) 0.933 4.370 ( -3.866 0.000 -1.112) 4.023 4.467 ( -0.445 0.000 1.550) 1.612 4.560 ( -0.237 0.000 -1.884) 1.899 4.650 ( 6.075 0.000 -2.529) 6.581 4.808 ( -7.163 0.000 2.390) 7.551 4.830 ( 0.844 0.000 1.406) 1.639 4.848 ( -0.619 0.000 -0.477) 0.781 4.957 ( -1.303 0.000 -0.662) 1.461 5.091 ( -0.992 0.000 -0.296) 1.035 5.107 ( -0.819 0.000 0.194) 0.842 5.257 ( -1.048 0.000 -0.142) 1.058 5.257 ( -1.100 0.000 -0.111) 1.106 6.399 ( -0.216 0.000 0.002) 0.216 6.444 ( 0.723 0.000 -0.700) 1.007 6.465 ( -1.752 0.000 0.585) 1.847 6.505 ( -0.839 0.000 0.029) 0.840 6.824 ( -0.244 0.000 -0.160) 0.292 6.846 ( 0.055 0.000 0.289) 0.294 6.940 ( -0.358 0.000 -0.333) 0.489 6.972 ( -0.237 0.000 0.198) 0.309 8.475 ( 0.627 0.000 0.022) 0.627 8.634 ( 3.650 0.000 -3.024) 4.740 8.698 ( -3.775 0.000 4.514) 5.885 8.774 ( 0.463 0.000 -1.428) 1.501 9.625 ( -0.125 0.000 0.270) 0.298 9.658 ( 0.068 0.000 -0.196) 0.208 9.685 ( -0.341 0.000 -0.039) 0.344 9.703 ( -0.082 0.000 -0.032) 0.088 10.087 ( 0.289 0.000 -0.144) 0.322 10.092 ( 0.355 0.000 0.220) 0.418 10.121 ( 0.194 0.000 -0.204) 0.282 10.128 ( 0.309 0.000 0.160) 0.348 12.792 ( -0.623 0.000 -0.107) 0.632 12.800 ( -0.284 0.000 0.239) 0.371 12.896 ( -0.763 0.000 0.426) 0.874 12.946 ( -1.382 0.000 -0.879) 1.638 13.034 ( 0.621 0.000 0.395) 0.736 13.297 ( 0.181 0.000 1.167) 1.181 13.397 ( 0.975 0.000 -2.537) 2.718 13.912 ( -0.341 0.000 1.993) 2.022 14.043 ( 0.251 0.000 0.103) 0.272 14.047 ( 0.246 0.000 -0.060) 0.254 14.605 ( -1.356 0.000 0.869) 1.610 14.641 ( -4.220 0.000 -1.466) 4.467 14.932 ( -2.184 0.000 0.091) 2.186 14.946 ( -2.534 0.000 -0.199) 2.542 15.173 ( -1.316 0.000 0.133) 1.323 15.213 ( -0.966 0.000 0.007) 0.966 17.357 ( 0.947 0.000 -0.750) 1.209 17.489 ( 1.662 0.000 0.461) 1.724 17.494 ( 2.629 0.000 1.256) 2.914 17.565 ( -0.515 0.000 -1.047) 1.167 ======================= Grid point 11 (7/51) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.303 ( 0.000 15.861 0.000) 15.861 0.410 ( 0.000 21.334 0.000) 21.334 0.561 ( 0.000 28.819 0.000) 28.819 0.779 ( 0.000 6.460 0.000) 6.460 0.944 ( 0.000 2.282 0.000) 2.282 1.116 ( 0.000 5.054 0.000) 5.054 1.163 ( 0.000 -0.780 0.000) 0.780 1.250 ( 0.000 0.394 0.000) 0.394 1.260 ( 0.000 -4.889 0.000) 4.889 1.326 ( 0.000 -1.186 0.000) 1.186 1.452 ( 0.000 -0.894 0.000) 0.894 1.503 ( 0.000 1.946 0.000) 1.946 1.643 ( 0.000 -3.776 0.000) 3.776 1.776 ( 0.000 -5.812 0.000) 5.812 1.780 ( 0.000 -10.534 0.000) 10.534 1.864 ( 0.000 -2.078 0.000) 2.078 1.895 ( 0.000 -1.314 0.000) 1.314 1.929 ( 0.000 -4.215 0.000) 4.215 1.931 ( 0.000 -1.349 0.000) 1.349 1.989 ( 0.000 8.440 0.000) 8.440 1.999 ( 0.000 -11.538 0.000) 11.538 2.154 ( 0.000 0.435 0.000) 0.435 2.158 ( 0.000 2.189 0.000) 2.189 2.190 ( 0.000 -0.570 0.000) 0.570 2.389 ( 0.000 -1.166 0.000) 1.166 2.406 ( 0.000 6.646 0.000) 6.646 2.497 ( 0.000 6.221 0.000) 6.221 2.562 ( 0.000 -0.860 0.000) 0.860 2.572 ( 0.000 1.503 0.000) 1.503 2.665 ( 0.000 -0.895 0.000) 0.895 2.706 ( 0.000 -5.013 0.000) 5.013 2.780 ( 0.000 3.571 0.000) 3.571 2.891 ( 0.000 1.628 0.000) 1.628 2.923 ( 0.000 2.213 0.000) 2.213 3.031 ( 0.000 -4.785 0.000) 4.785 3.038 ( 0.000 -5.644 0.000) 5.644 3.072 ( 0.000 -3.776 0.000) 3.776 3.090 ( 0.000 -1.843 0.000) 1.843 3.167 ( 0.000 -1.418 0.000) 1.418 3.232 ( 0.000 3.942 0.000) 3.942 3.271 ( 0.000 2.481 0.000) 2.481 3.451 ( 0.000 4.043 0.000) 4.043 3.522 ( 0.000 -6.850 0.000) 6.850 3.564 ( 0.000 -1.296 0.000) 1.296 3.617 ( 0.000 -0.402 0.000) 0.402 3.679 ( 0.000 -2.717 0.000) 2.717 3.789 ( 0.000 -2.839 0.000) 2.839 3.803 ( 0.000 0.499 0.000) 0.499 3.893 ( 0.000 -1.248 0.000) 1.248 3.956 ( 0.000 -5.003 0.000) 5.003 4.111 ( 0.000 3.539 0.000) 3.539 4.161 ( 0.000 1.396 0.000) 1.396 4.203 ( 0.000 5.987 0.000) 5.987 4.253 ( 0.000 4.145 0.000) 4.145 4.323 ( 0.000 -0.029 0.000) 0.029 4.515 ( 0.000 -3.715 0.000) 3.715 4.653 ( 0.000 4.590 0.000) 4.590 4.775 ( 0.000 4.888 0.000) 4.888 4.813 ( 0.000 1.849 0.000) 1.849 4.837 ( 0.000 0.637 0.000) 0.637 4.861 ( 0.000 -0.999 0.000) 0.999 4.903 ( 0.000 2.496 0.000) 2.496 5.132 ( 0.000 -3.756 0.000) 3.756 5.184 ( 0.000 -3.537 0.000) 3.537 5.414 ( 0.000 -0.857 0.000) 0.857 5.428 ( 0.000 -0.039 0.000) 0.039 5.464 ( 0.000 1.273 0.000) 1.273 5.467 ( 0.000 0.041 0.000) 0.041 6.522 ( 0.000 1.645 0.000) 1.645 6.554 ( 0.000 1.277 0.000) 1.277 6.634 ( 0.000 -1.235 0.000) 1.235 6.661 ( 0.000 -1.218 0.000) 1.218 6.902 ( 0.000 1.344 0.000) 1.344 6.921 ( 0.000 -0.408 0.000) 0.408 6.942 ( 0.000 -0.771 0.000) 0.771 6.987 ( 0.000 -0.552 0.000) 0.552 8.238 ( 0.000 -0.401 0.000) 0.401 8.256 ( 0.000 -0.456 0.000) 0.456 8.281 ( 0.000 1.986 0.000) 1.986 8.442 ( 0.000 -2.295 0.000) 2.295 9.606 ( 0.000 0.809 0.000) 0.809 9.715 ( 0.000 -2.220 0.000) 2.220 9.748 ( 0.000 -0.261 0.000) 0.261 9.750 ( 0.000 -0.058 0.000) 0.058 10.021 ( 0.000 0.018 0.000) 0.018 10.034 ( 0.000 0.012 0.000) 0.012 10.063 ( 0.000 1.750 0.000) 1.750 10.148 ( 0.000 -0.686 0.000) 0.686 12.879 ( 0.000 0.027 0.000) 0.027 12.959 ( 0.000 -1.781 0.000) 1.781 13.128 ( 0.000 -2.992 0.000) 2.992 13.172 ( 0.000 -5.059 0.000) 5.059 13.329 ( 0.000 2.868 0.000) 2.868 13.423 ( 0.000 -1.661 0.000) 1.661 13.539 ( 0.000 5.995 0.000) 5.995 13.803 ( 0.000 -1.502 0.000) 1.502 14.231 ( 0.000 11.466 0.000) 11.466 14.697 ( 0.000 -1.737 0.000) 1.737 15.037 ( 0.000 -2.688 0.000) 2.688 15.098 ( 0.000 0.791 0.000) 0.791 15.174 ( 0.000 0.366 0.000) 0.366 15.498 ( 0.000 -4.931 0.000) 4.931 15.665 ( 0.000 4.058 0.000) 4.058 15.755 ( 0.000 0.408 0.000) 0.408 17.018 ( 0.000 0.392 0.000) 0.392 17.081 ( 0.000 -1.762 0.000) 1.762 17.189 ( 0.000 3.148 0.000) 3.148 17.429 ( 0.000 -3.506 0.000) 3.506 ======================= Grid point 12 (8/51) ======================= q-point: ( 0.09 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.353 ( 7.741 8.389 5.459) 12.653 0.421 ( 3.911 13.984 11.384) 18.451 0.797 ( 10.290 10.377 -1.443) 14.685 0.855 ( 11.108 11.182 -1.131) 15.802 0.995 ( 4.868 0.913 -1.185) 5.093 1.165 ( 2.482 3.629 1.155) 4.546 1.195 ( 2.439 -2.986 -0.026) 3.856 1.248 ( -1.364 -4.769 2.803) 5.698 1.277 ( 3.236 -1.554 -3.264) 4.852 1.344 ( 2.574 -0.933 -0.119) 2.740 1.416 ( 1.151 1.963 -1.929) 2.983 1.544 ( 1.084 1.482 1.853) 2.609 1.634 ( 1.264 -3.929 -3.336) 5.307 1.766 ( -2.889 -8.664 2.124) 9.377 1.796 ( 1.596 -4.645 -0.480) 4.935 1.848 ( -0.383 -1.382 -0.257) 1.457 1.890 ( -0.350 0.110 1.514) 1.558 1.920 ( -0.426 -0.006 -1.591) 1.647 1.928 ( -0.607 1.796 0.572) 1.980 2.008 ( 1.673 0.100 1.623) 2.333 2.051 ( 3.764 -2.893 1.546) 4.992 2.161 ( 2.418 -0.143 -1.879) 3.065 2.217 ( 5.879 0.896 -1.816) 6.218 2.235 ( 1.931 0.277 3.206) 3.753 2.374 ( -0.087 -0.656 0.808) 1.044 2.476 ( 5.974 4.652 -4.047) 8.585 2.543 ( 2.232 2.772 -1.834) 4.004 2.561 ( 3.014 -0.583 0.477) 3.106 2.604 ( 1.512 0.828 1.146) 2.070 2.668 ( 0.892 -0.625 -3.130) 3.314 2.717 ( 3.047 -3.369 -0.272) 4.550 2.788 ( 1.096 3.637 -1.615) 4.128 2.874 ( -0.697 1.842 -2.013) 2.816 2.926 ( 0.816 1.963 1.873) 2.834 3.021 ( -0.596 -2.278 2.101) 3.156 3.065 ( 1.892 -4.411 -4.384) 6.500 3.087 ( 2.043 -2.947 1.905) 4.061 3.139 ( 4.207 -3.047 -0.084) 5.195 3.188 ( 0.980 -1.145 2.769) 3.152 3.248 ( 0.118 2.077 1.359) 2.485 3.287 ( 1.327 2.585 1.448) 3.246 3.425 ( -1.138 4.703 -1.417) 5.042 3.447 ( -3.950 -1.964 -3.740) 5.783 3.543 ( -1.372 -3.327 -2.541) 4.406 3.605 ( -2.102 -1.613 -1.130) 2.881 3.696 ( 0.221 -0.530 1.850) 1.937 3.726 ( -1.768 3.834 5.264) 6.748 3.841 ( -1.285 -1.259 -0.900) 2.012 3.896 ( 1.659 -3.946 0.863) 4.367 4.048 ( 4.111 -6.207 -4.214) 8.555 4.099 ( -0.938 0.437 3.093) 3.262 4.154 ( -1.054 0.360 -0.081) 1.117 4.183 ( -2.338 6.717 0.220) 7.116 4.270 ( 0.204 0.580 4.992) 5.030 4.325 ( -0.291 -0.359 0.337) 0.572 4.447 ( -6.481 0.374 1.868) 6.755 4.614 ( -3.158 4.303 2.807) 6.030 4.681 ( -6.038 3.451 -3.694) 7.875 4.800 ( -1.838 0.513 -2.338) 3.018 4.831 ( -1.707 0.312 0.639) 1.849 4.864 ( -0.103 0.157 -1.984) 1.993 4.893 ( 0.094 1.784 2.372) 2.969 5.036 ( -3.765 1.326 -1.439) 4.243 5.121 ( -5.494 -2.753 1.692) 6.374 5.374 ( -2.697 -0.191 -1.301) 3.001 5.407 ( -2.308 -0.169 0.661) 2.406 5.439 ( -2.615 1.534 2.085) 3.679 5.456 ( -0.603 0.781 -1.376) 1.693 6.510 ( -1.189 1.427 -0.072) 1.859 6.543 ( -1.066 1.325 -0.176) 1.710 6.621 ( -1.305 -1.243 0.175) 1.810 6.648 ( -1.189 -1.170 -0.015) 1.668 6.894 ( -0.722 0.732 -0.043) 1.029 6.905 ( -1.145 0.478 0.736) 1.443 6.956 ( 1.306 -1.169 -1.397) 2.241 7.014 ( -0.209 -2.691 1.232) 2.967 8.275 ( 3.239 0.278 0.444) 3.281 8.313 ( 3.425 2.026 -0.780) 4.055 8.500 ( 6.581 -2.585 -4.602) 8.437 8.553 ( 9.743 -16.485 16.776) 25.458 9.619 ( 1.669 -0.347 -2.206) 2.788 9.698 ( -1.565 -1.497 0.485) 2.219 9.741 ( -0.573 -0.075 -0.052) 0.580 9.746 ( -0.419 -0.290 -0.103) 0.520 10.028 ( 0.709 0.069 -0.082) 0.717 10.040 ( 0.636 0.008 0.167) 0.657 10.067 ( 0.424 1.613 -0.167) 1.676 10.120 ( -1.707 1.648 -0.164) 2.378 12.862 ( -0.894 0.383 -0.806) 1.263 12.962 ( -0.812 -2.109 2.111) 3.093 13.103 ( -4.590 -0.971 1.530) 4.935 13.129 ( -3.613 0.260 4.514) 5.788 13.282 ( -3.700 3.214 -2.243) 5.390 13.366 ( 0.946 0.550 -19.842) 19.872 13.483 ( -3.025 5.084 0.187) 5.919 13.809 ( -1.083 -4.301 3.938) 5.931 14.225 ( -1.594 11.088 2.589) 11.497 14.572 ( -21.705 27.588 -9.973) 36.492 14.729 ( -1.277 -0.194 -11.751) 11.822 15.069 ( -0.555 -5.030 3.182) 5.978 15.218 ( 3.570 0.343 -0.320) 3.601 15.369 ( -2.431 8.598 -2.730) 9.343 15.458 ( -4.456 -3.694 1.443) 5.965 15.599 ( -5.187 3.278 -0.743) 6.181 17.119 ( 3.104 -0.124 1.699) 3.541 17.179 ( 0.036 2.527 -1.440) 2.908 17.371 ( -2.684 -3.343 -4.334) 6.096 17.405 ( 6.762 -12.822 13.937) 20.109 ======================= Grid point 13 (9/51) ======================= q-point: ( 0.18 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( 10.320 3.354 7.507) 13.195 0.673 ( 12.823 -1.170 10.977) 16.921 0.948 ( 9.271 -2.290 -5.386) 10.964 1.028 ( 2.153 -3.548 -0.442) 4.174 1.104 ( 4.952 5.002 -1.412) 7.179 1.191 ( 1.372 1.544 -0.038) 2.066 1.221 ( 0.104 -3.099 3.202) 4.457 1.263 ( 2.100 -1.899 3.154) 4.238 1.332 ( 2.844 -3.014 -0.581) 4.184 1.425 ( 2.844 0.868 -3.639) 4.700 1.482 ( 7.666 2.449 -4.883) 9.413 1.549 ( -1.740 0.686 2.623) 3.222 1.675 ( 1.521 -2.990 -0.699) 3.427 1.763 ( 5.818 -2.978 -1.442) 6.694 1.819 ( 0.377 -2.502 0.327) 2.551 1.862 ( 2.673 2.616 -0.026) 3.740 1.898 ( 1.317 1.037 1.068) 1.988 1.916 ( 1.094 1.884 -0.920) 2.365 1.944 ( 1.423 3.923 1.618) 4.476 2.036 ( 0.719 -0.617 2.269) 2.459 2.139 ( 3.421 -0.111 1.362) 3.684 2.209 ( 3.197 -0.693 -3.840) 5.045 2.290 ( 3.237 0.825 2.836) 4.382 2.365 ( 8.111 1.923 -3.355) 8.986 2.401 ( 2.377 -0.794 0.781) 2.625 2.562 ( 3.217 0.209 -2.876) 4.321 2.576 ( 4.507 1.967 -1.888) 5.268 2.617 ( 1.331 -0.427 0.683) 1.555 2.674 ( 5.161 -0.506 -0.474) 5.207 2.693 ( 3.418 0.623 -2.883) 4.514 2.777 ( 1.838 -2.383 -3.281) 4.452 2.806 ( 1.219 4.633 0.764) 4.851 2.880 ( 3.891 -2.632 -1.367) 4.892 2.959 ( 0.825 1.162 2.034) 2.483 3.036 ( 0.174 1.650 2.509) 3.008 3.078 ( 1.791 -2.835 -2.610) 4.249 3.167 ( 3.963 -2.576 1.953) 5.114 3.191 ( 0.439 -1.234 -2.408) 2.741 3.232 ( 1.769 -1.614 2.744) 3.642 3.253 ( -0.288 2.196 2.628) 3.437 3.322 ( 1.229 1.976 -0.801) 2.461 3.367 ( -1.128 -3.041 -0.254) 3.253 3.427 ( 1.355 5.425 0.151) 5.594 3.494 ( -1.789 -1.637 -1.358) 2.779 3.546 ( -3.156 -3.252 0.741) 4.592 3.653 ( -3.363 3.953 1.727) 5.470 3.767 ( 0.538 0.149 3.012) 3.063 3.805 ( -2.021 3.185 -4.027) 5.518 3.883 ( -1.822 -3.479 2.439) 4.623 4.081 ( 0.646 -2.024 -1.883) 2.839 4.104 ( -0.703 -1.137 0.870) 1.595 4.127 ( -1.437 1.071 -0.086) 1.795 4.139 ( -0.682 1.706 0.350) 1.871 4.250 ( -5.249 2.249 3.939) 6.937 4.321 ( -0.428 -1.486 -0.056) 1.547 4.346 ( -3.914 -0.446 2.440) 4.634 4.547 ( -4.830 1.025 -2.127) 5.376 4.578 ( -1.959 -0.479 1.118) 2.306 4.726 ( -3.264 2.369 -3.206) 5.153 4.776 ( -4.385 0.898 0.335) 4.489 4.827 ( -1.421 0.129 -2.107) 2.545 4.918 ( 0.534 0.084 0.286) 0.612 4.983 ( -1.065 -1.133 -1.946) 2.491 5.034 ( -4.358 -2.681 3.171) 6.020 5.302 ( -3.904 0.632 -0.620) 4.003 5.342 ( -4.280 0.979 0.345) 4.404 5.395 ( -3.172 0.655 1.925) 3.767 5.424 ( -1.769 0.566 -1.379) 2.313 6.478 ( -1.836 1.225 -0.092) 2.209 6.513 ( -1.600 1.328 -0.477) 2.133 6.587 ( -2.198 -1.287 0.329) 2.568 6.616 ( -1.992 -0.997 -0.000) 2.228 6.873 ( -1.116 0.458 0.103) 1.211 6.891 ( -0.791 1.104 0.131) 1.364 6.964 ( 0.351 -1.529 -1.204) 1.978 7.000 ( -1.390 -1.825 0.878) 2.456 8.353 ( 3.975 1.574 0.174) 4.279 8.398 ( 5.311 1.822 -1.034) 5.709 8.614 ( 7.446 -2.821 -6.277) 10.139 8.716 ( -0.369 -10.525 12.593) 16.417 9.636 ( 1.170 -0.873 -1.759) 2.286 9.668 ( -1.673 -0.770 0.722) 1.978 9.727 ( -0.761 -0.122 -0.102) 0.777 9.733 ( -0.812 -0.279 -0.035) 0.859 10.046 ( 1.113 0.215 -0.182) 1.148 10.059 ( 0.958 0.131 0.317) 1.018 10.076 ( 0.564 1.279 -0.156) 1.406 10.100 ( -0.199 1.672 -0.044) 1.684 12.844 ( -0.583 0.264 -0.500) 0.812 12.946 ( -2.067 -1.151 2.168) 3.209 13.020 ( -2.873 1.258 -1.192) 3.355 13.058 ( -5.675 8.044 3.457) 10.434 13.207 ( -2.469 -0.703 -1.733) 3.097 13.270 ( -0.930 -1.460 -10.248) 10.394 13.444 ( -0.239 2.415 -3.856) 4.556 13.803 ( -1.836 -6.758 4.467) 8.306 14.197 ( -2.718 10.048 2.712) 10.756 14.257 ( -6.550 17.546 -6.426) 19.800 14.693 ( -2.127 -3.327 1.084) 4.095 15.036 ( -5.424 -8.801 3.737) 10.993 15.255 ( 0.040 -1.622 -1.169) 1.999 15.296 ( -5.742 -0.423 -2.988) 6.487 15.375 ( -5.139 1.768 4.212) 6.876 15.503 ( -5.917 3.536 3.282) 7.635 17.189 ( 3.403 0.883 -1.811) 3.955 17.207 ( 3.904 1.363 0.698) 4.193 17.303 ( 0.352 -0.753 -4.873) 4.943 17.518 ( 1.012 -6.210 4.755) 7.887 ======================= Grid point 14 (10/51) ======================= q-point: ( 0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( 10.096 -1.398 4.604) 11.184 0.962 ( 8.585 -1.345 10.058) 13.291 1.014 ( -1.433 -7.785 2.593) 8.330 1.078 ( 4.820 -1.598 -3.334) 6.075 1.124 ( 1.511 -1.665 -5.111) 5.584 1.211 ( 0.101 -1.052 2.010) 2.271 1.272 ( 1.636 0.825 2.271) 2.918 1.331 ( 1.165 0.994 4.738) 4.979 1.357 ( 0.090 -1.297 -0.979) 1.627 1.419 ( -0.462 0.739 -3.796) 3.895 1.526 ( 0.185 0.805 -1.579) 1.782 1.587 ( 4.540 3.145 -5.380) 7.711 1.714 ( 4.582 -3.237 -0.963) 5.692 1.823 ( 1.378 -2.490 0.999) 3.016 1.893 ( 3.988 1.528 0.811) 4.347 1.913 ( 1.215 0.526 -0.103) 1.328 1.971 ( 0.429 4.404 2.022) 4.865 1.993 ( 5.964 2.786 1.676) 6.793 2.012 ( 10.079 0.254 -1.991) 10.277 2.091 ( 3.872 1.957 0.352) 4.352 2.221 ( 4.155 -1.356 0.819) 4.447 2.242 ( 3.409 -3.789 -4.607) 6.870 2.346 ( 0.524 1.115 2.828) 3.085 2.429 ( -0.156 1.910 0.434) 1.965 2.492 ( 4.362 -1.136 -1.349) 4.705 2.603 ( 3.769 0.666 -2.567) 4.608 2.642 ( 4.183 -0.065 -4.850) 6.405 2.701 ( 5.611 -0.685 -0.536) 5.678 2.723 ( 1.215 0.735 -1.685) 2.203 2.751 ( 1.821 3.269 0.827) 3.833 2.782 ( 1.522 -0.388 -3.433) 3.776 2.852 ( 4.084 2.158 -0.727) 4.676 2.979 ( 0.063 0.702 2.891) 2.976 2.990 ( 5.682 -2.984 -0.758) 6.462 3.040 ( -1.668 3.030 1.898) 3.945 3.088 ( 0.179 -2.049 0.001) 2.056 3.168 ( -0.088 -0.515 1.057) 1.180 3.220 ( -4.175 1.582 1.019) 4.579 3.232 ( 2.536 0.524 -2.635) 3.694 3.311 ( 2.864 -1.191 0.715) 3.183 3.341 ( 1.908 -0.666 0.333) 2.048 3.379 ( 2.106 -1.056 -0.464) 2.401 3.453 ( -0.086 0.946 0.696) 1.178 3.467 ( -0.651 -1.218 0.623) 1.515 3.535 ( 0.181 0.741 4.833) 4.893 3.609 ( -0.847 3.297 1.521) 3.728 3.698 ( -4.784 0.585 -2.970) 5.661 3.796 ( 0.183 -1.081 2.333) 2.578 3.880 ( -0.565 -1.151 2.370) 2.695 4.034 ( -3.307 1.476 -3.223) 4.848 4.055 ( -3.902 0.516 1.657) 4.270 4.114 ( -0.176 -0.866 -0.357) 0.953 4.139 ( -1.120 0.621 0.170) 1.292 4.205 ( 0.410 0.155 -1.195) 1.273 4.275 ( -1.784 -0.223 1.841) 2.573 4.329 ( -1.397 -0.490 2.826) 3.190 4.471 ( -2.020 0.109 -0.947) 2.234 4.557 ( -0.123 -2.400 -1.003) 2.604 4.648 ( -4.491 1.870 -1.083) 4.984 4.665 ( -4.326 1.515 -3.242) 5.614 4.799 ( -0.790 -0.014 0.282) 0.839 4.902 ( -1.485 -0.130 -1.145) 1.879 4.959 ( -2.362 -2.982 1.613) 4.133 4.984 ( -1.599 -3.170 0.762) 3.632 5.218 ( -4.084 1.314 -0.218) 4.295 5.254 ( -4.471 2.153 0.118) 4.964 5.336 ( -3.724 -0.378 1.487) 4.028 5.371 ( -2.682 0.400 -1.300) 3.007 6.442 ( -1.650 0.961 -0.072) 1.911 6.479 ( -1.381 1.122 -0.770) 1.939 6.542 ( -2.517 -1.096 0.526) 2.795 6.573 ( -2.288 -0.758 0.008) 2.411 6.855 ( -0.757 0.659 -0.006) 1.004 6.874 ( -0.951 1.377 0.184) 1.683 6.957 ( -0.361 -1.539 -0.996) 1.868 6.980 ( -1.030 -1.326 0.745) 1.836 8.424 ( 3.020 2.143 -0.043) 3.703 8.495 ( 5.017 1.336 -1.397) 5.377 8.702 ( 4.669 -2.884 -5.101) 7.493 8.741 ( -2.656 -5.204 8.358) 10.198 9.640 ( -0.747 -0.346 0.568) 1.001 9.648 ( 0.148 -0.634 -0.781) 1.017 9.712 ( -0.699 -0.191 -0.068) 0.728 9.716 ( -0.776 -0.181 -0.097) 0.803 10.066 ( 1.048 0.452 -0.226) 1.164 10.077 ( 0.627 1.001 0.265) 1.211 10.091 ( 1.014 0.188 0.100) 1.036 10.106 ( 0.630 0.730 -0.090) 0.968 12.828 ( -0.790 0.340 -0.307) 0.913 12.908 ( -2.868 1.647 1.505) 3.633 12.957 ( -3.141 2.131 -0.671) 3.854 13.005 ( -0.023 3.692 -0.809) 3.780 13.123 ( -5.502 0.348 1.143) 5.630 13.235 ( 0.824 -3.469 -2.218) 4.200 13.423 ( 0.987 2.423 -5.395) 5.996 13.798 ( -1.115 -7.465 3.869) 8.481 14.146 ( -2.497 9.942 -2.219) 10.488 14.162 ( -2.622 8.674 2.357) 9.363 14.646 ( -3.604 -4.481 2.494) 6.268 14.892 ( -9.830 -11.177 0.425) 14.890 15.149 ( -5.831 0.469 -1.699) 6.092 15.239 ( -2.505 -2.001 0.127) 3.208 15.271 ( -7.235 4.907 2.594) 9.119 15.371 ( -7.409 1.838 0.260) 7.638 17.279 ( 5.770 -0.294 -0.743) 5.825 17.281 ( 3.833 -0.559 -1.802) 4.272 17.342 ( 4.449 2.504 0.217) 5.109 17.547 ( 0.693 -3.014 0.860) 3.210 ======================= Grid point 15 (11/51) ======================= q-point: ( 0.36 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( -2.545 -3.938 2.882) 5.503 1.014 ( 5.313 -3.897 0.528) 6.610 1.085 ( 1.060 -0.219 -4.792) 4.913 1.142 ( 0.914 -2.285 -1.785) 3.040 1.176 ( 4.173 1.163 8.218) 9.290 1.223 ( -0.280 0.183 3.110) 3.128 1.276 ( -2.309 4.270 0.926) 4.942 1.350 ( 0.992 1.249 2.619) 3.066 1.355 ( -1.788 0.549 1.787) 2.587 1.411 ( 2.301 -0.404 0.894) 2.501 1.525 ( 1.334 0.929 -4.765) 5.035 1.612 ( 1.399 2.572 -5.176) 5.947 1.828 ( 5.970 -4.200 -0.531) 7.319 1.880 ( 3.980 -2.022 -0.205) 4.469 1.923 ( 0.762 -0.135 -0.290) 0.826 1.991 ( 3.480 -0.682 0.102) 3.547 2.015 ( 4.199 2.893 3.703) 6.302 2.097 ( 4.446 2.072 -3.368) 5.950 2.108 ( 0.153 2.327 1.421) 2.731 2.217 ( 6.943 0.539 -2.273) 7.326 2.295 ( 3.101 -5.918 -1.981) 6.969 2.315 ( 4.642 0.003 0.118) 4.644 2.352 ( 0.466 -0.733 1.736) 1.941 2.401 ( -2.243 -1.155 -0.412) 2.556 2.527 ( 0.425 -2.557 -0.804) 2.714 2.626 ( 1.432 -1.337 -4.478) 4.887 2.674 ( -3.209 -1.384 -0.956) 3.623 2.737 ( 3.596 3.334 -0.867) 4.979 2.780 ( 1.223 3.785 0.802) 4.058 2.812 ( 5.650 0.224 -0.663) 5.693 2.825 ( 4.838 3.356 -2.637) 6.451 2.940 ( 3.023 2.404 -1.809) 4.265 2.981 ( -3.676 1.880 1.093) 4.271 2.986 ( -0.461 0.192 3.157) 3.197 3.040 ( -2.253 0.250 0.178) 2.274 3.107 ( 0.040 0.161 0.443) 0.473 3.132 ( -2.105 -0.610 3.825) 4.408 3.214 ( 3.226 0.119 -0.246) 3.238 3.280 ( 3.504 -0.125 -0.397) 3.529 3.331 ( 1.096 -0.882 -1.610) 2.138 3.388 ( 1.201 -0.327 1.078) 1.647 3.428 ( -0.954 -1.902 -0.257) 2.143 3.431 ( 1.675 1.099 -1.063) 2.268 3.485 ( 0.791 2.677 2.261) 3.592 3.536 ( -0.795 1.578 0.160) 1.775 3.582 ( -3.235 -1.792 -1.558) 4.013 3.699 ( 4.209 -2.219 5.924) 7.598 3.788 ( -2.757 -0.811 -0.518) 2.920 3.885 ( 0.054 0.537 2.477) 2.535 3.940 ( -3.028 1.934 -2.925) 4.632 4.007 ( -1.319 0.152 -0.489) 1.415 4.077 ( -2.024 -2.381 0.724) 3.208 4.158 ( 1.924 1.057 0.107) 2.198 4.200 ( -0.393 0.886 -0.665) 1.176 4.285 ( 0.844 -0.493 -0.231) 1.004 4.313 ( -1.761 -0.422 2.762) 3.303 4.454 ( -0.155 0.291 0.908) 0.966 4.512 ( -5.951 1.424 -2.401) 6.573 4.561 ( 0.880 -1.185 -1.220) 1.915 4.607 ( -0.496 0.458 -2.988) 3.063 4.801 ( 0.234 -0.034 1.939) 1.953 4.865 ( -1.335 -0.604 -1.128) 1.850 4.896 ( -4.668 -2.522 2.117) 5.713 4.965 ( -1.037 -2.870 -0.517) 3.095 5.147 ( -2.852 1.391 0.085) 3.174 5.174 ( -3.352 2.814 -0.154) 4.379 5.272 ( -3.274 -1.335 0.977) 3.668 5.309 ( -2.702 0.052 -1.024) 2.891 6.415 ( -0.999 0.631 -0.034) 1.182 6.453 ( -0.617 0.600 -0.948) 1.280 6.497 ( -2.233 -0.576 0.721) 2.416 6.530 ( -1.894 -0.477 0.007) 1.953 6.842 ( -0.467 0.823 -0.270) 0.984 6.862 ( -0.405 1.556 0.513) 1.688 6.941 ( -0.574 -1.360 -0.816) 1.687 6.968 ( -0.596 -1.118 0.533) 1.375 8.470 ( 1.733 2.096 -0.006) 2.720 8.574 ( 3.964 0.533 -2.075) 4.506 8.719 ( -2.796 -2.735 5.262) 6.556 8.747 ( 1.696 -2.125 -2.691) 3.826 9.629 ( -0.522 0.053 0.627) 0.818 9.650 ( 0.231 -0.631 -0.517) 0.848 9.697 ( -0.676 -0.014 -0.072) 0.680 9.704 ( -0.331 -0.215 -0.101) 0.407 10.084 ( 0.780 0.605 -0.136) 0.997 10.089 ( 0.521 0.947 0.182) 1.096 10.112 ( 0.854 -0.157 0.047) 0.869 10.118 ( 0.532 0.197 -0.016) 0.568 12.809 ( -0.942 0.549 -0.234) 1.115 12.859 ( -2.409 3.050 0.744) 3.958 12.906 ( -1.965 -0.873 0.170) 2.157 13.001 ( -1.373 1.159 -3.131) 3.610 13.046 ( -1.354 1.775 2.541) 3.382 13.252 ( 0.961 -2.928 0.599) 3.139 13.420 ( 1.508 3.011 -4.014) 5.240 13.805 ( -0.284 -7.593 2.688) 8.060 14.102 ( -1.143 6.428 -0.766) 6.574 14.138 ( -1.113 7.235 1.952) 7.576 14.587 ( -3.486 -5.371 2.166) 6.759 14.690 ( -9.045 -9.789 -2.118) 13.495 15.039 ( -4.713 2.529 0.011) 5.349 15.116 ( -7.003 5.235 -0.356) 8.750 15.195 ( -2.806 -1.704 0.643) 3.346 15.259 ( -3.889 0.171 -0.189) 3.897 17.335 ( 2.858 0.427 -1.815) 3.413 17.392 ( 4.879 -1.068 0.917) 5.078 17.440 ( 4.249 1.739 1.077) 4.716 17.561 ( 0.601 -1.449 -0.616) 1.685 ======================= Grid point 16 (12/51) ======================= q-point: ( 0.45 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( -1.242 -1.550 1.013) 2.230 1.078 ( 1.150 -1.985 0.893) 2.461 1.088 ( 2.044 -0.683 -4.708) 5.178 1.130 ( -1.405 0.193 1.322) 1.939 1.201 ( -2.146 1.557 1.093) 2.868 1.234 ( -0.052 1.543 1.740) 2.326 1.259 ( 0.700 4.118 0.896) 4.273 1.313 ( -1.389 1.994 -1.512) 2.862 1.441 ( 1.894 0.396 4.894) 5.263 1.481 ( 2.495 1.561 4.552) 5.421 1.520 ( 0.926 -0.920 -2.120) 2.490 1.583 ( -0.936 1.055 -6.021) 6.184 1.915 ( 2.647 -0.577 -0.512) 2.757 1.925 ( 1.236 -0.537 0.211) 1.364 1.963 ( 1.568 -2.226 0.208) 2.730 2.035 ( 1.680 -1.462 -0.374) 2.258 2.069 ( -1.478 1.621 -0.463) 2.242 2.141 ( 0.952 -2.006 -0.804) 2.362 2.177 ( 7.612 0.839 1.417) 7.788 2.263 ( -0.696 0.293 0.623) 0.979 2.309 ( 1.191 1.114 -0.399) 1.678 2.325 ( -4.597 -1.865 -1.299) 5.128 2.374 ( 0.938 -3.496 -0.283) 3.631 2.440 ( 2.954 -1.109 -1.157) 3.361 2.510 ( 0.117 -2.960 -0.970) 3.117 2.609 ( -1.808 -5.211 0.841) 5.580 2.650 ( 2.497 1.391 -1.506) 3.231 2.774 ( 1.232 3.555 0.117) 3.764 2.806 ( 0.693 3.863 0.345) 3.940 2.861 ( -5.918 -0.948 -1.594) 6.202 2.885 ( 1.332 0.843 0.088) 1.579 2.928 ( -0.290 1.335 0.630) 1.504 2.942 ( 5.535 -0.392 -1.071) 5.651 2.991 ( -0.992 2.861 2.228) 3.759 3.031 ( -0.444 0.033 -0.576) 0.728 3.080 ( -2.141 1.902 1.236) 3.119 3.155 ( 1.020 2.976 1.084) 3.327 3.276 ( 1.890 -0.388 -0.332) 1.957 3.320 ( 1.664 -0.299 -1.060) 1.995 3.359 ( 1.032 -1.095 0.489) 1.582 3.392 ( -1.120 1.912 0.155) 2.222 3.397 ( -1.197 -1.355 0.086) 1.810 3.465 ( 1.767 0.482 1.438) 2.328 3.511 ( -0.694 0.277 -1.883) 2.026 3.522 ( 1.333 1.281 1.293) 2.256 3.573 ( 2.147 -1.015 1.747) 2.948 3.680 ( -5.488 0.326 -3.565) 6.552 3.782 ( 0.932 -2.518 0.753) 2.789 3.885 ( -0.771 0.901 -0.468) 1.275 3.946 ( 3.545 1.311 2.664) 4.624 3.987 ( -0.566 0.152 -0.297) 0.657 4.058 ( -1.812 -2.845 1.166) 3.569 4.146 ( -1.056 0.958 -1.012) 1.748 4.235 ( 3.427 -0.134 -0.763) 3.514 4.290 ( -2.033 -0.890 3.393) 4.054 4.294 ( -0.087 -0.826 -1.064) 1.350 4.384 ( -3.336 1.412 -1.814) 4.051 4.464 ( -0.714 -0.337 -0.014) 0.790 4.565 ( 0.286 0.623 -0.674) 0.961 4.640 ( 4.196 -1.082 -1.489) 4.583 4.801 ( -4.568 -0.113 1.780) 4.904 4.828 ( 0.695 -0.228 0.955) 1.203 4.845 ( -0.630 -0.313 -0.410) 0.814 4.936 ( -1.109 -2.281 -0.587) 2.604 5.110 ( -0.923 1.213 0.064) 1.526 5.126 ( -1.276 2.620 -0.090) 2.916 5.228 ( -1.320 -2.002 0.330) 2.421 5.263 ( -1.206 -0.394 -0.415) 1.335 6.402 ( -0.304 0.346 -0.006) 0.461 6.444 ( 0.171 -0.347 -0.731) 0.827 6.466 ( -1.213 0.355 0.635) 1.415 6.503 ( -0.755 -0.235 0.003) 0.791 6.834 ( -0.169 1.022 -0.154) 1.047 6.861 ( -0.005 1.481 0.311) 1.513 6.928 ( -0.294 -1.198 -0.367) 1.287 6.962 ( -0.206 -1.017 0.194) 1.055 8.493 ( 0.565 1.909 0.020) 1.991 8.627 ( 2.562 -0.796 -2.194) 3.466 8.690 ( -2.406 -0.594 3.435) 4.236 8.756 ( 0.477 -1.834 -1.172) 2.228 9.626 ( -0.110 0.113 0.225) 0.275 9.651 ( 0.047 -0.612 -0.143) 0.630 9.687 ( -0.266 0.169 -0.058) 0.320 9.700 ( -0.091 -0.249 -0.025) 0.266 10.094 ( 0.278 0.668 -0.100) 0.730 10.099 ( 0.271 0.632 0.171) 0.708 10.121 ( 0.205 0.011 -0.168) 0.265 10.127 ( 0.266 -0.143 0.134) 0.330 12.793 ( -0.447 0.605 -0.086) 0.757 12.830 ( -0.742 2.544 0.308) 2.667 12.879 ( -0.754 -1.470 0.115) 1.656 12.947 ( -1.520 -0.193 -0.660) 1.669 13.062 ( 0.654 2.776 0.337) 2.872 13.270 ( 0.447 -2.684 0.385) 2.748 13.428 ( 0.768 3.357 -1.387) 3.712 13.814 ( 0.004 -7.605 0.976) 7.667 14.086 ( -0.327 4.578 -0.166) 4.593 14.138 ( -0.013 6.759 0.911) 6.820 14.541 ( -2.715 -7.115 -0.072) 7.616 14.548 ( -2.494 -6.949 -0.496) 7.399 14.972 ( -1.879 3.542 0.116) 4.012 15.015 ( -2.597 5.585 -0.267) 6.165 15.154 ( -1.257 -1.861 0.155) 2.251 15.208 ( -1.241 -0.725 -0.011) 1.438 17.367 ( 1.053 1.047 -0.629) 1.613 17.469 ( 2.066 -1.589 0.633) 2.682 17.507 ( 1.788 0.942 0.657) 2.125 17.561 ( -0.107 -0.426 -0.742) 0.862 ======================= Grid point 22 (13/51) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.589 ( 0.000 14.411 0.000) 14.411 0.787 ( 0.000 18.350 0.000) 18.350 0.830 ( 0.000 -10.114 0.000) 10.114 0.929 ( 0.000 8.634 0.000) 8.634 1.037 ( 0.000 5.379 0.000) 5.379 1.080 ( 0.000 -9.791 0.000) 9.791 1.131 ( 0.000 10.607 0.000) 10.607 1.272 ( 0.000 1.792 0.000) 1.792 1.302 ( 0.000 -0.796 0.000) 0.796 1.360 ( 0.000 12.250 0.000) 12.250 1.472 ( 0.000 -10.921 0.000) 10.921 1.532 ( 0.000 8.417 0.000) 8.417 1.542 ( 0.000 -10.138 0.000) 10.138 1.593 ( 0.000 0.259 0.000) 0.259 1.665 ( 0.000 -6.302 0.000) 6.302 1.751 ( 0.000 -13.455 0.000) 13.455 1.847 ( 0.000 -1.669 0.000) 1.669 1.848 ( 0.000 0.132 0.000) 0.132 1.875 ( 0.000 -2.834 0.000) 2.834 1.879 ( 0.000 -1.777 0.000) 1.777 2.094 ( 0.000 2.193 0.000) 2.193 2.129 ( 0.000 -2.396 0.000) 2.396 2.200 ( 0.000 1.325 0.000) 1.325 2.201 ( 0.000 1.614 0.000) 1.614 2.419 ( 0.000 4.087 0.000) 4.087 2.486 ( 0.000 -1.187 0.000) 1.187 2.547 ( 0.000 0.837 0.000) 0.837 2.564 ( 0.000 -0.425 0.000) 0.425 2.604 ( 0.000 3.444 0.000) 3.444 2.634 ( 0.000 -1.133 0.000) 1.133 2.725 ( 0.000 4.943 0.000) 4.943 2.798 ( 0.000 -2.157 0.000) 2.157 2.892 ( 0.000 -0.802 0.000) 0.802 2.919 ( 0.000 -4.559 0.000) 4.559 2.968 ( 0.000 0.811 0.000) 0.811 2.971 ( 0.000 -1.948 0.000) 1.948 3.012 ( 0.000 -0.532 0.000) 0.532 3.050 ( 0.000 -2.372 0.000) 2.372 3.187 ( 0.000 4.366 0.000) 4.366 3.285 ( 0.000 1.045 0.000) 1.045 3.307 ( 0.000 0.613 0.000) 0.613 3.332 ( 0.000 -8.833 0.000) 8.833 3.541 ( 0.000 5.378 0.000) 5.378 3.599 ( 0.000 1.212 0.000) 1.212 3.614 ( 0.000 0.035 0.000) 0.035 3.639 ( 0.000 -3.171 0.000) 3.171 3.752 ( 0.000 1.281 0.000) 1.281 3.808 ( 0.000 -0.958 0.000) 0.958 3.857 ( 0.000 -3.923 0.000) 3.923 3.859 ( 0.000 -1.889 0.000) 1.889 4.162 ( 0.000 1.932 0.000) 1.932 4.178 ( 0.000 0.235 0.000) 0.235 4.275 ( 0.000 2.548 0.000) 2.548 4.312 ( 0.000 -1.294 0.000) 1.294 4.358 ( 0.000 5.019 0.000) 5.019 4.438 ( 0.000 -4.078 0.000) 4.078 4.755 ( 0.000 5.677 0.000) 5.677 4.822 ( 0.000 1.135 0.000) 1.135 4.831 ( 0.000 -1.996 0.000) 1.996 4.837 ( 0.000 -0.202 0.000) 0.202 4.938 ( 0.000 7.082 0.000) 7.082 4.958 ( 0.000 4.437 0.000) 4.437 5.037 ( 0.000 -5.656 0.000) 5.656 5.088 ( 0.000 -6.564 0.000) 6.564 5.405 ( 0.000 0.001 0.000) 0.001 5.414 ( 0.000 -0.878 0.000) 0.878 5.479 ( 0.000 0.663 0.000) 0.663 5.482 ( 0.000 0.443 0.000) 0.443 6.561 ( 0.000 2.317 0.000) 2.317 6.587 ( 0.000 2.141 0.000) 2.141 6.603 ( 0.000 -2.034 0.000) 2.034 6.629 ( 0.000 -2.122 0.000) 2.122 6.916 ( 0.000 -0.046 0.000) 0.046 6.920 ( 0.000 -0.232 0.000) 0.232 6.940 ( 0.000 1.374 0.000) 1.374 6.969 ( 0.000 -1.352 0.000) 1.352 8.237 ( 0.000 0.234 0.000) 0.234 8.245 ( 0.000 -0.580 0.000) 0.580 8.328 ( 0.000 2.922 0.000) 2.922 8.387 ( 0.000 -3.275 0.000) 3.275 9.629 ( 0.000 1.696 0.000) 1.696 9.669 ( 0.000 -2.432 0.000) 2.432 9.744 ( 0.000 -0.031 0.000) 0.031 9.746 ( 0.000 -0.204 0.000) 0.204 10.025 ( 0.000 0.365 0.000) 0.365 10.031 ( 0.000 -0.254 0.000) 0.254 10.098 ( 0.000 1.855 0.000) 1.855 10.129 ( 0.000 -1.357 0.000) 1.357 12.886 ( 0.000 0.929 0.000) 0.929 12.917 ( 0.000 -2.279 0.000) 2.279 13.091 ( 0.000 -0.836 0.000) 0.836 13.101 ( 0.000 -2.121 0.000) 2.121 13.373 ( 0.000 1.714 0.000) 1.714 13.398 ( 0.000 -1.169 0.000) 1.169 13.657 ( 0.000 6.109 0.000) 6.109 13.754 ( 0.000 -3.927 0.000) 3.927 14.453 ( 0.000 10.958 0.000) 10.958 14.621 ( 0.000 -6.654 0.000) 6.654 15.015 ( 0.000 0.936 0.000) 0.936 15.062 ( 0.000 -3.310 0.000) 3.310 15.252 ( 0.000 6.714 0.000) 6.714 15.386 ( 0.000 -6.885 0.000) 6.885 15.729 ( 0.000 2.507 0.000) 2.507 15.756 ( 0.000 -0.522 0.000) 0.522 17.030 ( 0.000 0.849 0.000) 0.849 17.051 ( 0.000 -1.369 0.000) 1.369 17.260 ( 0.000 4.303 0.000) 4.303 17.347 ( 0.000 -4.829 0.000) 4.829 ======================= Grid point 23 (14/51) ======================= q-point: ( 0.09 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.587 ( 0.072 13.259 1.563) 13.351 0.714 ( -3.816 11.790 7.310) 14.388 0.863 ( 1.315 -3.640 -1.061) 4.013 0.935 ( 2.105 6.882 -2.810) 7.726 1.051 ( -1.186 -9.422 1.858) 9.676 1.083 ( 0.174 -7.748 1.058) 7.822 1.198 ( 3.803 8.639 0.845) 9.477 1.260 ( -0.669 -0.083 0.670) 0.950 1.324 ( 0.577 7.559 2.036) 7.850 1.378 ( 5.978 4.951 -1.781) 7.963 1.445 ( -0.257 -1.357 -2.252) 2.641 1.524 ( 2.940 -8.098 -5.195) 10.060 1.568 ( -1.445 0.742 5.568) 5.800 1.625 ( 2.156 -2.435 -0.966) 3.393 1.708 ( 4.979 -2.068 -0.462) 5.411 1.812 ( 4.305 -9.028 -0.271) 10.005 1.859 ( 2.589 1.061 0.737) 2.893 1.886 ( 1.086 -1.003 0.198) 1.492 1.906 ( 4.302 0.999 1.178) 4.571 1.963 ( 3.405 -2.641 1.811) 4.674 2.131 ( 3.578 3.552 1.435) 5.242 2.173 ( 2.803 -0.194 1.176) 3.046 2.225 ( 4.792 1.070 -1.043) 5.020 2.248 ( 5.417 -0.082 -2.691) 6.049 2.401 ( -1.450 5.156 0.478) 5.377 2.510 ( 1.902 -3.656 -0.686) 4.178 2.554 ( 0.214 0.621 -1.050) 1.239 2.568 ( 1.104 -1.043 0.048) 1.519 2.614 ( 1.827 1.362 -1.011) 2.493 2.642 ( 1.674 -1.048 -1.580) 2.529 2.728 ( 0.660 4.206 -0.653) 4.307 2.802 ( 1.378 -2.635 -4.639) 5.510 2.885 ( 0.052 0.373 -1.927) 1.964 2.930 ( 1.850 -3.225 -1.736) 4.103 2.979 ( 2.581 0.453 -1.226) 2.893 3.037 ( 2.190 2.171 2.980) 4.288 3.041 ( 3.775 -4.049 0.531) 5.562 3.073 ( 2.824 -1.376 -1.031) 3.306 3.204 ( 0.439 3.022 4.288) 5.265 3.284 ( -0.966 -1.372 2.614) 3.107 3.320 ( 1.234 0.493 0.397) 1.387 3.329 ( -0.295 -4.014 -0.525) 4.059 3.527 ( -1.253 4.118 -0.935) 4.405 3.567 ( -3.448 -1.295 -0.553) 3.725 3.579 ( -0.692 4.332 -3.030) 5.332 3.667 ( 1.272 -3.403 0.491) 3.666 3.780 ( 0.021 0.661 4.708) 4.754 3.793 ( -1.453 -1.695 4.506) 5.029 3.859 ( 2.291 1.000 -1.895) 3.137 3.927 ( 4.463 -5.713 -2.210) 7.579 4.133 ( -2.753 2.007 1.698) 3.807 4.157 ( -2.508 -0.362 1.045) 2.741 4.266 ( -0.291 1.853 -1.385) 2.331 4.294 ( 0.124 -0.760 -4.655) 4.718 4.344 ( -3.564 4.168 5.247) 7.590 4.414 ( -3.745 -2.931 3.720) 6.037 4.690 ( -6.354 3.791 0.810) 7.443 4.733 ( -8.248 0.203 -2.023) 8.495 4.807 ( -0.324 0.763 -1.339) 1.575 4.831 ( -0.871 -1.278 0.564) 1.646 4.902 ( -1.629 4.774 -3.456) 6.115 4.939 ( -0.755 2.013 -3.104) 3.776 5.018 ( -2.393 -1.925 0.732) 3.157 5.045 ( -4.082 -4.745 1.607) 6.462 5.379 ( -2.024 0.774 -0.552) 2.236 5.398 ( -1.894 -0.935 0.224) 2.124 5.463 ( -2.072 0.922 1.819) 2.908 5.469 ( -1.758 0.366 0.957) 2.035 6.546 ( -1.348 2.175 -0.296) 2.576 6.573 ( -1.006 1.245 -1.071) 1.925 6.592 ( -1.412 -1.202 1.093) 2.152 6.618 ( -1.115 -1.966 0.247) 2.274 6.906 ( -0.842 0.562 0.007) 1.012 6.916 ( -0.192 -0.056 -0.089) 0.219 6.942 ( 0.137 0.565 -0.366) 0.687 6.971 ( -0.201 -1.988 0.175) 2.005 8.294 ( 4.421 1.839 1.858) 5.136 8.342 ( 4.921 -1.579 2.114) 5.584 8.388 ( 6.821 -0.543 1.983) 7.124 8.440 ( 5.703 -3.587 -2.906) 7.337 9.630 ( 0.200 1.280 -0.321) 1.334 9.662 ( -0.689 -1.994 0.292) 2.130 9.739 ( -0.517 -0.042 -0.068) 0.523 9.741 ( -0.525 -0.217 -0.065) 0.572 10.033 ( 0.712 0.366 0.060) 0.803 10.039 ( 0.674 -0.231 0.125) 0.723 10.099 ( 0.122 1.646 -0.094) 1.654 10.123 ( -0.440 -0.792 -0.068) 0.908 12.879 ( -0.584 1.466 -0.128) 1.583 12.917 ( -0.389 -2.433 0.707) 2.563 13.082 ( -1.554 -0.298 -0.062) 1.584 13.098 ( 0.261 -1.822 1.342) 2.278 13.336 ( -3.654 1.937 -0.593) 4.178 13.359 ( -2.364 -0.768 -5.149) 5.718 13.608 ( -4.110 6.889 0.222) 8.025 13.722 ( -3.014 -5.208 1.303) 6.157 14.442 ( -2.181 11.133 2.714) 11.665 14.621 ( -1.135 -7.357 1.867) 7.674 14.901 ( -13.029 7.047 -6.061) 16.005 14.985 ( -4.452 -3.638 -1.227) 5.879 15.258 ( 0.555 4.376 -2.359) 5.002 15.361 ( -2.826 -5.745 -2.152) 6.755 15.548 ( -8.341 7.477 -2.382) 11.452 15.626 ( -6.577 -0.989 -1.022) 6.729 17.135 ( 5.424 2.146 4.055) 7.104 17.210 ( 6.379 -5.378 6.265) 10.434 17.240 ( 1.462 2.286 -0.287) 2.729 17.308 ( -1.726 -3.882 -3.602) 5.570 ======================= Grid point 24 (15/51) ======================= q-point: ( 0.18 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( 5.808 6.557 5.373) 10.276 0.768 ( 3.655 3.284 9.343) 10.556 0.887 ( 1.060 -1.943 1.947) 2.948 0.971 ( 4.195 2.084 -5.268) 7.049 1.046 ( 0.047 -9.306 5.229) 10.675 1.090 ( 0.697 -6.375 -2.829) 7.009 1.251 ( 2.174 2.391 0.212) 3.239 1.286 ( 2.249 -1.578 0.001) 2.748 1.354 ( 1.070 6.236 2.706) 6.881 1.433 ( 0.742 -1.100 -2.128) 2.508 1.510 ( 3.761 0.674 1.116) 3.980 1.571 ( 2.728 -4.714 -1.099) 5.557 1.599 ( 4.546 4.770 -1.079) 6.677 1.710 ( 6.947 -4.849 -3.984) 9.362 1.801 ( 4.204 2.095 -1.152) 4.836 1.868 ( 2.538 -3.465 -1.425) 4.525 1.919 ( 3.756 3.170 0.628) 4.955 1.945 ( 3.837 0.692 1.797) 4.293 1.985 ( 2.709 -0.037 1.647) 3.171 2.009 ( 1.439 -2.000 1.976) 3.159 2.212 ( 2.094 5.418 1.772) 6.073 2.272 ( 5.829 3.174 -0.238) 6.641 2.311 ( 2.422 3.509 -0.245) 4.270 2.378 ( 4.235 -1.725 -1.251) 4.741 2.389 ( 4.315 2.735 -2.189) 5.558 2.531 ( 0.401 -7.071 -0.828) 7.131 2.579 ( 2.736 0.122 -1.856) 3.308 2.595 ( 3.290 -1.443 0.745) 3.669 2.666 ( 4.625 0.686 -2.049) 5.104 2.709 ( 4.769 0.132 -1.169) 4.912 2.756 ( 3.562 0.039 -1.351) 3.810 2.797 ( 2.083 -2.601 -5.259) 6.226 2.892 ( 1.948 3.545 -1.568) 4.338 2.963 ( 2.359 -2.688 -1.601) 3.918 3.027 ( 1.881 0.419 -0.176) 1.936 3.071 ( 1.038 -2.067 -1.119) 2.570 3.133 ( 3.623 1.403 1.435) 4.142 3.153 ( 4.325 0.482 2.762) 5.154 3.241 ( -0.170 0.130 4.276) 4.281 3.277 ( -2.023 -3.562 4.401) 6.012 3.327 ( 0.853 2.313 -0.871) 2.614 3.353 ( 2.164 0.436 -0.437) 2.250 3.479 ( -3.417 0.053 -1.005) 3.562 3.494 ( -2.168 -1.419 0.779) 2.706 3.555 ( -0.540 7.358 -1.407) 7.511 3.669 ( -1.165 -3.104 -0.044) 3.316 3.776 ( -1.522 0.580 3.457) 3.822 3.807 ( -2.372 -3.372 2.036) 4.598 3.888 ( 1.628 5.326 -0.488) 5.591 3.994 ( 2.843 -5.600 -0.666) 6.315 4.101 ( -1.240 0.466 1.288) 1.848 4.112 ( -1.653 -0.609 -0.069) 1.763 4.229 ( -4.623 3.765 2.200) 6.355 4.273 ( 0.072 -0.503 -2.494) 2.546 4.291 ( -3.741 0.314 3.468) 5.111 4.331 ( -4.700 -1.750 0.676) 5.060 4.567 ( -5.758 0.734 -2.142) 6.187 4.573 ( -4.466 -0.136 -1.052) 4.590 4.775 ( -3.509 1.872 -0.983) 4.097 4.785 ( -3.445 0.165 -0.461) 3.480 4.850 ( -1.757 2.782 -1.648) 3.680 4.911 ( -0.237 -1.760 -0.815) 1.954 4.963 ( -2.713 -0.724 -1.112) 3.020 4.972 ( -4.002 -2.599 1.705) 5.068 5.323 ( -3.300 1.407 -0.339) 3.604 5.345 ( -3.444 -0.604 0.192) 3.502 5.417 ( -3.666 1.086 1.925) 4.281 5.428 ( -2.617 -0.126 0.068) 2.621 6.509 ( -1.992 1.939 -0.398) 2.808 6.538 ( -1.747 0.128 -1.336) 2.203 6.563 ( -2.104 -0.142 1.240) 2.446 6.589 ( -1.853 -1.749 0.277) 2.563 6.890 ( -0.646 1.269 -0.272) 1.450 6.910 ( -0.464 0.099 0.081) 0.482 6.938 ( -0.265 -0.349 -0.550) 0.703 6.962 ( -0.800 -1.988 0.415) 2.183 8.399 ( 4.477 3.339 1.710) 5.841 8.437 ( 4.967 1.352 -0.900) 5.226 8.543 ( 5.650 -4.473 1.410) 7.343 8.555 ( 6.159 -4.529 0.195) 7.648 9.633 ( 0.274 0.454 -0.379) 0.652 9.649 ( -0.792 -1.081 0.400) 1.399 9.725 ( -0.781 -0.024 -0.089) 0.787 9.727 ( -0.763 -0.247 -0.093) 0.807 10.052 ( 1.156 0.390 0.045) 1.220 10.058 ( 1.125 -0.200 0.189) 1.159 10.102 ( 0.184 1.231 -0.125) 1.251 10.115 ( -0.239 -0.071 -0.057) 0.255 12.865 ( -0.754 1.857 0.082) 2.005 12.908 ( -1.007 -2.445 0.828) 2.771 13.056 ( -0.510 2.757 -0.604) 2.868 13.114 ( -0.294 -2.458 3.619) 4.385 13.221 ( -5.714 2.533 -4.820) 7.893 13.251 ( -5.289 -0.834 -3.993) 6.679 13.539 ( -2.557 6.898 0.397) 7.368 13.674 ( -2.490 -7.085 1.935) 7.755 14.395 ( -4.013 10.553 2.665) 11.600 14.552 ( -7.536 1.511 -7.101) 10.464 14.623 ( -7.194 6.268 1.949) 9.739 14.847 ( -8.411 -11.103 -1.239) 13.984 15.236 ( -1.477 0.242 -1.992) 2.492 15.263 ( -4.361 -2.334 -1.343) 5.125 15.455 ( -5.014 4.980 3.730) 7.991 15.522 ( -6.244 -1.581 3.500) 7.330 17.211 ( 2.168 1.349 -3.034) 3.966 17.229 ( 2.045 0.099 -2.396) 3.152 17.307 ( 4.061 2.256 0.741) 4.705 17.392 ( 4.535 -6.248 4.227) 8.802 ======================= Grid point 25 (16/51) ======================= q-point: ( 0.27 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( 6.784 0.695 3.041) 7.467 0.885 ( 1.484 -5.281 4.676) 7.208 0.985 ( 6.233 3.565 10.611) 12.812 1.044 ( 5.378 -1.507 -3.693) 6.696 1.083 ( 1.899 -2.147 -5.078) 5.831 1.116 ( 2.577 -5.878 5.999) 8.785 1.302 ( 2.282 1.649 1.441) 3.163 1.330 ( 1.755 -1.350 0.682) 2.316 1.378 ( -0.181 3.177 1.562) 3.544 1.423 ( -1.062 -1.120 -1.077) 1.882 1.557 ( 2.154 2.571 -0.531) 3.396 1.624 ( 3.925 -3.845 -3.239) 6.379 1.682 ( 4.428 5.034 -4.238) 7.932 1.776 ( 2.775 -3.499 -2.403) 5.072 1.893 ( 4.612 -0.542 -2.139) 5.113 1.904 ( 2.070 -1.445 -1.580) 2.978 2.018 ( 4.063 3.055 0.928) 5.168 2.034 ( 5.374 2.076 0.463) 5.780 2.056 ( 4.347 0.223 1.551) 4.621 2.095 ( 5.175 -3.206 1.304) 6.226 2.249 ( 1.272 5.183 2.579) 5.927 2.286 ( -0.302 9.232 -5.317) 10.658 2.344 ( -1.023 -2.923 3.877) 4.962 2.414 ( 0.813 -0.530 -0.561) 1.121 2.463 ( 2.224 -2.439 -1.329) 3.558 2.509 ( -0.772 -10.214 -3.239) 10.743 2.668 ( 7.556 3.386 -3.125) 8.850 2.715 ( 6.344 -0.759 0.648) 6.422 2.761 ( 3.449 3.418 -2.147) 5.310 2.781 ( 4.837 1.667 -0.121) 5.117 2.805 ( 3.899 2.609 -2.533) 5.332 2.893 ( 5.674 -4.994 -0.442) 7.572 2.943 ( 4.021 3.833 0.027) 5.555 2.995 ( 1.305 0.412 -0.499) 1.457 3.042 ( -0.095 -1.806 0.415) 1.855 3.081 ( 0.935 -2.678 -1.451) 3.186 3.153 ( -2.112 3.366 1.267) 4.171 3.213 ( -4.456 -1.329 2.257) 5.169 3.265 ( 5.427 0.502 -0.063) 5.451 3.298 ( 2.036 -2.290 4.318) 5.295 3.332 ( 0.074 1.894 -0.524) 1.967 3.390 ( 0.201 -3.134 -0.632) 3.204 3.425 ( -0.631 4.127 1.340) 4.385 3.480 ( -0.451 -0.328 1.233) 1.353 3.553 ( 0.799 2.321 1.761) 3.021 3.628 ( -2.671 -3.292 -0.192) 4.244 3.727 ( -4.365 2.398 -1.132) 5.108 3.766 ( -0.649 -1.723 0.864) 2.033 3.910 ( -0.474 4.575 2.461) 5.217 4.003 ( -2.355 -3.949 0.476) 4.623 4.071 ( -2.396 0.748 -0.023) 2.510 4.091 ( -1.602 -1.472 -0.130) 2.180 4.169 ( -1.012 2.379 1.239) 2.867 4.207 ( -2.194 -0.957 -0.116) 2.396 4.276 ( 0.660 1.101 -0.186) 1.297 4.308 ( -0.609 -1.670 1.405) 2.266 4.484 ( -1.825 1.268 -0.969) 2.424 4.515 ( -0.673 -1.979 -0.953) 2.298 4.679 ( -5.545 1.031 -1.902) 5.952 4.685 ( -4.338 0.407 -2.832) 5.197 4.822 ( -1.109 2.946 1.047) 3.318 4.899 ( -2.536 -2.259 -1.267) 3.625 4.905 ( -1.554 -2.453 1.611) 3.320 4.916 ( -1.897 -1.464 -0.046) 2.397 5.250 ( -3.827 1.753 -0.065) 4.210 5.273 ( -3.630 -0.352 -0.086) 3.648 5.346 ( -4.439 1.232 1.447) 4.828 5.367 ( -3.359 -0.789 -0.343) 3.467 6.467 ( -1.918 1.604 -0.353) 2.525 6.493 ( -1.894 -0.501 -1.171) 2.282 6.528 ( -2.032 0.468 0.990) 2.309 6.551 ( -2.018 -1.432 0.191) 2.482 6.877 ( -0.479 1.619 -0.327) 1.720 6.899 ( -0.634 0.571 0.393) 0.940 6.926 ( -0.446 -0.821 -0.763) 1.206 6.948 ( -0.753 -1.855 0.499) 2.063 8.480 ( 2.894 3.551 0.608) 4.621 8.521 ( 3.847 0.434 -0.921) 3.980 8.634 ( 2.833 -2.911 1.187) 4.231 8.651 ( 3.374 -3.625 0.283) 4.960 9.635 ( -0.075 -0.059 0.064) 0.115 9.639 ( -0.242 -0.380 0.058) 0.454 9.709 ( -0.680 -0.016 -0.098) 0.688 9.711 ( -0.694 -0.216 -0.106) 0.734 10.076 ( 1.183 0.496 -0.010) 1.283 10.083 ( 1.220 -0.195 0.189) 1.250 10.105 ( 0.189 0.929 -0.066) 0.951 10.114 ( 0.137 -0.006 -0.028) 0.140 12.849 ( -0.979 1.716 0.175) 1.983 12.887 ( -1.514 -2.119 0.804) 2.726 13.042 ( -2.707 5.220 -1.969) 6.201 13.082 ( -2.497 3.661 0.121) 4.433 13.118 ( -6.496 -1.384 1.283) 6.764 13.150 ( 1.890 -4.935 -2.872) 6.014 13.511 ( -0.394 6.608 -0.504) 6.639 13.652 ( -0.852 -7.934 1.587) 8.136 14.326 ( -3.942 8.690 1.949) 9.739 14.365 ( -6.107 10.149 -4.182) 12.562 14.540 ( -4.836 -4.705 3.203) 7.469 14.664 ( -8.686 -12.467 -1.510) 15.269 15.167 ( -3.830 1.406 -0.436) 4.103 15.200 ( -2.801 -2.022 0.468) 3.487 15.348 ( -7.280 3.189 1.934) 8.180 15.385 ( -8.187 -0.615 0.882) 8.257 17.274 ( 4.737 -0.101 -1.235) 4.896 17.275 ( 4.439 -0.220 -2.120) 4.924 17.401 ( 4.188 3.686 1.006) 5.669 17.476 ( 2.763 -4.178 1.123) 5.134 ======================= Grid point 26 (17/51) ======================= q-point: ( 0.36 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( 0.945 -0.674 2.080) 2.382 0.949 ( 4.147 -2.744 0.555) 5.003 1.083 ( 1.811 0.126 -4.072) 4.459 1.100 ( 2.474 -1.741 -1.855) 3.549 1.183 ( 4.012 0.755 8.754) 9.659 1.213 ( 2.212 -1.839 7.587) 8.114 1.339 ( -0.063 2.394 -0.787) 2.521 1.367 ( 1.705 -0.206 1.304) 2.156 1.371 ( -0.935 1.657 2.036) 2.787 1.396 ( 0.541 -0.869 1.792) 2.064 1.590 ( 1.875 4.524 -4.618) 6.731 1.650 ( 1.273 -0.196 -6.587) 6.712 1.771 ( 6.288 0.129 -0.698) 6.328 1.831 ( 4.384 -3.731 -2.084) 6.122 1.925 ( 1.278 0.775 -0.914) 1.752 1.956 ( 2.912 -2.329 -1.111) 3.891 2.065 ( 1.576 3.078 2.435) 4.229 2.131 ( 1.109 -1.766 -0.686) 2.195 2.155 ( 3.555 2.329 0.340) 4.263 2.193 ( 4.748 -2.514 0.947) 5.455 2.258 ( 0.762 3.536 -2.408) 4.345 2.306 ( 2.203 -0.374 -0.930) 2.420 2.343 ( 0.704 -0.424 1.800) 1.978 2.380 ( -2.282 -1.411 -0.296) 2.699 2.486 ( 0.833 -1.600 -1.288) 2.217 2.507 ( 1.289 -5.466 -1.090) 5.721 2.759 ( -0.428 5.402 -3.652) 6.535 2.801 ( 5.918 1.714 -2.319) 6.583 2.818 ( 3.792 1.137 0.400) 3.979 2.828 ( 0.319 0.673 0.723) 1.038 2.888 ( 1.935 2.432 -0.449) 3.140 2.942 ( -0.285 -3.044 -1.594) 3.448 2.982 ( -1.256 1.588 -1.157) 2.332 3.016 ( 0.100 1.471 2.668) 3.048 3.043 ( -0.376 -0.845 0.307) 0.975 3.075 ( -0.452 -1.605 3.061) 3.486 3.159 ( 3.347 1.977 1.427) 4.141 3.198 ( 3.699 -1.850 -0.104) 4.138 3.304 ( -0.177 1.631 -1.679) 2.348 3.318 ( -1.754 -0.062 0.382) 1.796 3.379 ( 2.052 -0.808 0.644) 2.298 3.388 ( 2.817 -1.412 -1.651) 3.557 3.456 ( 1.618 1.893 1.070) 2.711 3.499 ( 0.821 -1.509 1.115) 2.048 3.552 ( -1.443 1.751 0.544) 2.334 3.598 ( -1.535 -0.624 1.955) 2.563 3.679 ( 0.863 2.258 1.280) 2.735 3.748 ( -1.927 -3.335 -0.652) 3.906 3.911 ( -0.267 2.008 2.604) 3.299 3.947 ( -1.897 -1.272 -0.210) 2.294 4.019 ( -2.495 0.988 -0.352) 2.706 4.040 ( -2.815 -1.359 0.294) 3.140 4.186 ( 1.002 1.557 0.559) 1.935 4.205 ( 0.442 -0.314 -0.222) 0.586 4.276 ( -0.584 0.039 0.284) 0.651 4.294 ( -1.337 -1.451 1.339) 2.384 4.476 ( 0.199 1.877 -0.917) 2.098 4.512 ( -1.052 -1.593 -3.508) 3.994 4.567 ( -2.304 1.815 0.163) 2.937 4.600 ( -1.908 -1.266 -1.719) 2.863 4.815 ( -0.354 1.797 1.629) 2.451 4.853 ( -1.772 -1.724 -0.124) 2.476 4.861 ( -2.215 0.229 0.122) 2.230 4.899 ( -0.806 -3.503 -0.128) 3.597 5.180 ( -3.048 1.935 0.204) 3.616 5.208 ( -2.572 -0.336 -0.354) 2.618 5.264 ( -4.362 1.267 1.060) 4.664 5.296 ( -3.350 -1.400 -0.525) 3.668 6.432 ( -1.347 1.146 -0.229) 1.783 6.453 ( -1.427 -0.811 -0.787) 1.821 6.497 ( -1.459 0.761 0.616) 1.757 6.516 ( -1.553 -0.989 0.097) 1.844 6.867 ( -0.304 1.747 -0.328) 1.804 6.892 ( -0.381 0.766 0.744) 1.134 6.913 ( -0.387 -0.725 -0.913) 1.228 6.939 ( -0.456 -1.843 0.400) 1.941 8.524 ( 1.421 3.308 0.143) 3.603 8.575 ( 2.072 -1.290 -0.845) 2.583 8.675 ( 0.585 -0.797 2.071) 2.295 8.699 ( 1.800 -2.556 -0.947) 3.266 9.632 ( -0.235 0.230 0.296) 0.442 9.639 ( 0.076 -0.524 -0.131) 0.545 9.697 ( -0.477 0.065 -0.108) 0.493 9.700 ( -0.387 -0.217 -0.085) 0.452 10.096 ( 0.841 0.658 -0.012) 1.068 10.106 ( 0.912 -0.083 0.126) 0.924 10.109 ( 0.213 0.563 -0.007) 0.602 10.119 ( 0.234 -0.223 -0.011) 0.324 12.829 ( -1.054 1.523 0.140) 1.858 12.861 ( -1.401 -1.739 0.743) 2.353 12.945 ( -4.016 3.705 -0.914) 5.540 12.998 ( -4.266 -1.556 -1.720) 4.856 13.102 ( 1.180 3.833 1.154) 4.173 13.180 ( 1.621 -4.280 -0.008) 4.577 13.512 ( 0.738 6.593 -0.798) 6.682 13.654 ( 0.193 -8.151 0.895) 8.202 14.255 ( -3.412 8.721 -1.679) 9.514 14.277 ( -2.222 6.732 2.276) 7.446 14.466 ( -3.935 -6.420 2.025) 7.798 14.496 ( -6.966 -9.785 -2.115) 12.196 15.093 ( -3.442 2.980 0.271) 4.561 15.145 ( -2.755 -2.367 0.191) 3.637 15.208 ( -6.546 3.200 0.208) 7.290 15.251 ( -5.241 -1.252 -0.116) 5.390 17.348 ( 3.649 0.962 -0.931) 3.887 17.369 ( 4.402 -1.238 0.046) 4.573 17.479 ( 3.180 2.370 0.543) 4.003 17.525 ( 1.844 -2.308 -0.085) 2.955 ======================= Grid point 27 (18/51) ======================= q-point: ( 0.45 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( 0.228 1.687 0.552) 1.789 1.004 ( 1.425 -4.243 -0.219) 4.481 1.099 ( 1.405 1.016 -1.831) 2.522 1.121 ( 0.649 -1.030 -0.452) 1.299 1.225 ( -1.300 1.265 1.452) 2.324 1.249 ( -0.979 -0.706 1.967) 2.307 1.335 ( 0.178 2.995 1.265) 3.256 1.349 ( -0.360 1.317 -0.358) 1.411 1.460 ( 3.396 1.348 5.173) 6.333 1.482 ( 4.309 -0.934 6.479) 7.837 1.559 ( -1.441 3.714 -5.960) 7.169 1.598 ( -2.418 -0.026 -6.564) 6.995 1.881 ( 3.900 -1.207 -0.360) 4.098 1.905 ( 2.564 -3.225 -0.159) 4.123 1.947 ( 1.221 1.988 -0.528) 2.392 1.993 ( 1.292 -2.618 -0.688) 3.000 2.103 ( -0.352 1.250 2.603) 2.909 2.125 ( -0.403 0.145 -1.542) 1.600 2.190 ( 2.263 1.361 0.451) 2.679 2.257 ( 0.154 -3.919 -0.005) 3.922 2.276 ( 0.044 0.075 0.459) 0.467 2.297 ( 0.483 -1.421 -1.041) 1.827 2.365 ( 0.575 2.138 0.219) 2.225 2.410 ( 3.149 -2.152 0.100) 3.815 2.476 ( -0.834 -0.329 -1.184) 1.485 2.510 ( -0.864 -3.965 -0.050) 4.058 2.713 ( -0.481 4.571 -1.809) 4.939 2.799 ( -3.783 -4.117 -1.670) 5.835 2.839 ( 0.194 2.776 -0.115) 2.785 2.874 ( 1.262 -0.040 -0.108) 1.267 2.890 ( 0.015 2.476 -0.011) 2.476 2.936 ( 1.475 -0.761 0.676) 1.792 2.967 ( 0.582 1.723 -0.233) 1.833 3.003 ( -1.139 -2.271 -0.010) 2.540 3.064 ( 0.338 4.109 1.983) 4.575 3.109 ( 0.908 0.133 1.960) 2.164 3.224 ( 1.300 3.345 -0.018) 3.589 3.263 ( -0.515 -1.040 0.234) 1.184 3.292 ( 2.682 -1.001 -1.576) 3.268 3.312 ( 0.805 -2.658 0.300) 2.793 3.403 ( 1.155 1.321 -0.512) 1.828 3.426 ( 0.876 -0.155 -0.268) 0.929 3.473 ( 0.242 0.691 0.626) 0.963 3.498 ( -0.812 -1.885 -0.476) 2.107 3.553 ( -0.873 3.329 -0.270) 3.453 3.589 ( 1.813 0.832 1.179) 2.317 3.683 ( -3.061 0.649 -0.394) 3.154 3.727 ( 1.032 -3.207 1.093) 3.542 3.919 ( -0.562 2.407 -0.451) 2.512 3.953 ( 2.257 -0.497 0.740) 2.427 3.987 ( -0.575 -0.361 -0.397) 0.787 4.000 ( -1.622 -2.535 1.532) 3.377 4.178 ( -1.116 2.381 0.425) 2.663 4.221 ( 0.847 -1.677 0.907) 2.087 4.273 ( -0.663 -0.423 1.037) 1.301 4.278 ( -0.330 -0.789 -0.784) 1.160 4.418 ( -2.475 1.962 -2.404) 3.969 4.450 ( -1.537 -1.286 -2.079) 2.888 4.585 ( 1.062 1.470 0.801) 1.982 4.614 ( 1.815 -1.544 0.290) 2.401 4.814 ( -1.741 1.105 0.612) 2.150 4.825 ( 0.389 -0.102 0.705) 0.812 4.840 ( -0.258 0.371 -0.506) 0.679 4.880 ( -0.704 -3.194 -0.318) 3.286 5.139 ( -1.085 1.959 0.171) 2.246 5.175 ( -0.248 -0.310 -0.506) 0.643 5.197 ( -2.677 1.147 0.711) 2.997 5.241 ( -1.582 -1.963 -0.296) 2.538 6.413 ( -0.484 0.783 -0.076) 0.923 6.430 ( -0.528 -0.955 -0.279) 1.127 6.479 ( -0.534 0.888 0.207) 1.057 6.495 ( -0.583 -0.647 0.028) 0.872 6.861 ( -0.107 1.807 -0.143) 1.816 6.893 ( -0.034 0.362 0.914) 0.984 6.901 ( -0.211 -0.176 -0.953) 0.992 6.935 ( -0.146 -1.816 0.152) 1.828 8.541 ( 0.405 3.029 0.023) 3.056 8.596 ( 0.607 -2.511 -0.369) 2.610 8.689 ( 0.049 0.715 0.880) 1.135 8.716 ( 0.505 -2.036 -0.437) 2.142 9.630 ( -0.061 0.334 0.109) 0.356 9.639 ( 0.007 -0.592 -0.031) 0.593 9.690 ( -0.171 0.201 -0.055) 0.269 9.695 ( -0.116 -0.284 -0.031) 0.308 10.108 ( 0.298 0.712 -0.013) 0.772 10.111 ( 0.080 0.567 0.055) 0.575 10.119 ( 0.344 -0.224 -0.043) 0.413 10.122 ( 0.116 -0.353 0.047) 0.374 12.813 ( -0.482 1.483 0.051) 1.560 12.845 ( -0.534 -1.751 0.376) 1.869 12.887 ( -1.427 2.844 -0.352) 3.201 12.931 ( -1.641 -1.631 -0.438) 2.355 13.128 ( 0.699 4.017 0.225) 4.083 13.205 ( 0.685 -4.024 0.092) 4.083 13.523 ( 0.499 6.537 -0.351) 6.565 13.663 ( 0.241 -8.107 0.270) 8.115 14.203 ( -1.176 7.632 -0.367) 7.731 14.269 ( 0.006 6.547 1.720) 6.769 14.376 ( -3.376 -8.439 -1.704) 9.247 14.419 ( -1.500 -7.254 0.580) 7.430 15.043 ( -1.451 3.760 0.125) 4.033 15.105 ( -0.950 -1.362 -0.267) 1.682 15.117 ( -2.600 2.876 0.229) 3.884 15.180 ( -1.779 -2.427 -0.062) 3.009 17.395 ( 1.330 1.848 -0.302) 2.297 17.433 ( 1.707 -2.094 0.162) 2.706 17.527 ( 1.265 1.181 0.264) 1.751 17.548 ( 0.625 -0.951 -0.207) 1.156 ======================= Grid point 55 (19/51) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.304 ( 3.022 0.000 13.188) 13.530 0.386 ( 0.506 0.000 16.143) 16.151 0.581 ( -1.482 0.000 -10.142) 10.250 0.719 ( -0.035 0.000 -12.257) 12.257 0.775 ( -2.054 0.000 32.018) 32.084 1.084 ( 0.047 0.000 0.598) 0.600 1.133 ( -0.441 0.000 -0.968) 1.064 1.306 ( 2.837 0.000 -1.908) 3.419 1.307 ( -3.680 0.000 2.210) 4.293 1.438 ( -2.350 0.000 -9.619) 9.902 1.443 ( -0.858 0.000 6.899) 6.952 1.556 ( 3.109 0.000 2.252) 3.839 1.588 ( 1.762 0.000 -11.641) 11.773 1.638 ( -1.635 0.000 -3.127) 3.529 1.803 ( -0.419 0.000 -2.385) 2.422 1.812 ( 2.996 0.000 -4.108) 5.084 1.913 ( 1.211 0.000 0.464) 1.297 1.917 ( 0.729 0.000 1.143) 1.356 1.934 ( -0.518 0.000 1.964) 2.031 1.996 ( 0.908 0.000 -1.633) 1.868 2.125 ( -1.765 0.000 1.334) 2.213 2.155 ( 0.613 0.000 -0.137) 0.628 2.167 ( -0.900 0.000 -0.216) 0.926 2.171 ( 1.333 0.000 -1.958) 2.368 2.396 ( -3.268 0.000 0.833) 3.372 2.397 ( 2.103 0.000 0.605) 2.188 2.483 ( -5.217 0.000 3.322) 6.185 2.541 ( 2.465 0.000 -0.966) 2.647 2.588 ( 2.426 0.000 0.426) 2.464 2.633 ( -2.169 0.000 -2.339) 3.190 2.720 ( 0.988 0.000 1.400) 1.714 2.763 ( -0.833 0.000 -2.218) 2.369 2.823 ( -1.188 0.000 2.516) 2.782 2.865 ( 1.538 0.000 -0.756) 1.714 3.080 ( 4.978 0.000 1.363) 5.161 3.119 ( -3.330 0.000 -0.017) 3.330 3.144 ( 0.890 0.000 0.119) 0.898 3.167 ( -2.797 0.000 -2.433) 3.708 3.187 ( 1.060 0.000 3.042) 3.222 3.242 ( -4.148 0.000 -1.022) 4.273 3.268 ( 2.058 0.000 2.545) 3.273 3.337 ( -1.781 0.000 -2.704) 3.238 3.534 ( -5.607 0.000 2.628) 6.193 3.583 ( 2.227 0.000 -0.043) 2.228 3.647 ( 4.044 0.000 0.805) 4.123 3.665 ( -0.494 0.000 -1.254) 1.348 3.822 ( -3.178 0.000 2.085) 3.800 3.876 ( 0.787 0.000 -1.940) 2.093 3.911 ( -5.519 0.000 0.145) 5.521 3.941 ( 11.283 0.000 -1.968) 11.454 4.083 ( -1.214 0.000 2.239) 2.547 4.126 ( 0.170 0.000 -1.321) 1.332 4.238 ( 1.356 0.000 1.503) 2.024 4.277 ( -2.252 0.000 -2.055) 3.049 4.411 ( 2.172 0.000 3.631) 4.231 4.463 ( 4.185 0.000 4.340) 6.029 4.497 ( -1.217 0.000 -2.803) 3.056 4.613 ( -1.700 0.000 -7.430) 7.622 4.708 ( 4.651 0.000 5.224) 6.995 4.811 ( -3.528 0.000 -2.916) 4.577 4.838 ( 3.324 0.000 0.606) 3.379 4.862 ( -1.649 0.000 -0.814) 1.839 5.287 ( -0.137 0.000 5.046) 5.048 5.353 ( 0.815 0.000 0.573) 0.996 5.395 ( -0.867 0.000 -2.029) 2.206 5.401 ( 0.647 0.000 -1.592) 1.719 5.511 ( 0.856 0.000 4.041) 4.131 5.618 ( -7.533 0.000 -4.593) 8.822 6.512 ( 0.027 0.000 0.565) 0.565 6.529 ( 0.104 0.000 -0.846) 0.852 6.654 ( -0.067 0.000 0.568) 0.572 6.666 ( 0.015 0.000 -0.483) 0.484 6.889 ( -0.684 0.000 0.155) 0.701 6.900 ( 1.391 0.000 -0.995) 1.711 6.976 ( -3.081 0.000 1.528) 3.439 7.007 ( 4.619 0.000 -1.050) 4.737 8.253 ( 0.205 0.000 0.121) 0.238 8.254 ( -0.211 0.000 -0.004) 0.211 8.469 ( -8.251 0.000 0.286) 8.256 8.476 ( 24.943 0.000 -0.328) 24.945 9.720 ( 0.734 0.000 0.505) 0.891 9.732 ( -2.698 0.000 -0.427) 2.731 9.747 ( -0.418 0.000 0.115) 0.434 9.749 ( 0.311 0.000 -0.112) 0.330 10.036 ( 0.153 0.000 0.235) 0.281 10.041 ( -0.117 0.000 -0.128) 0.174 10.050 ( -0.862 0.000 0.366) 0.936 10.059 ( 0.400 0.000 -0.333) 0.520 12.936 ( -0.982 0.000 3.873) 3.996 12.964 ( -0.213 0.000 0.795) 0.823 13.026 ( 0.917 0.000 0.634) 1.115 13.123 ( -0.713 0.000 -6.642) 6.680 13.369 ( 0.283 0.000 3.439) 3.451 13.434 ( -0.009 0.000 -2.129) 2.129 13.863 ( 12.836 0.000 3.683) 13.353 13.956 ( -37.223 0.000 -3.711) 37.407 14.090 ( 0.239 0.000 0.387) 0.455 14.099 ( -0.635 0.000 -0.325) 0.714 15.014 ( -31.987 0.000 2.676) 32.099 15.064 ( 11.251 0.000 -1.065) 11.301 15.182 ( 0.759 0.000 0.075) 0.762 15.207 ( -0.169 0.000 -2.036) 2.043 15.580 ( 0.262 0.000 1.126) 1.156 15.610 ( -3.348 0.000 -1.246) 3.573 17.120 ( 0.561 0.000 1.012) 1.157 17.140 ( -0.430 0.000 -0.527) 0.680 17.455 ( 23.196 0.000 0.179) 23.197 17.461 ( -7.446 0.000 -0.261) 7.451 ======================= Grid point 56 (20/51) ======================= q-point: ( 0.09 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.587 ( 12.920 0.000 9.834) 16.237 0.615 ( 10.910 0.000 10.401) 15.073 0.646 ( 12.883 0.000 -9.030) 15.732 0.737 ( 9.023 0.000 -11.553) 14.659 0.969 ( 3.226 0.000 27.058) 27.250 1.149 ( 5.231 0.000 -1.290) 5.388 1.189 ( 6.646 0.000 -2.203) 7.002 1.247 ( -2.942 0.000 1.524) 3.313 1.295 ( 0.060 0.000 -12.440) 12.440 1.377 ( -0.087 0.000 -0.004) 0.087 1.498 ( 1.640 0.000 6.800) 6.995 1.561 ( -0.601 0.000 2.331) 2.408 1.581 ( -0.494 0.000 -3.447) 3.482 1.639 ( 6.290 0.000 -7.955) 10.141 1.793 ( 0.870 0.000 -1.907) 2.096 1.842 ( 1.648 0.000 -3.521) 3.887 1.870 ( -3.614 0.000 0.336) 3.630 1.908 ( -1.268 0.000 -0.315) 1.306 1.948 ( -0.669 0.000 2.181) 2.281 2.002 ( 1.641 0.000 -5.764) 5.993 2.116 ( 0.476 0.000 4.036) 4.064 2.167 ( 1.126 0.000 -1.467) 1.849 2.186 ( 2.519 0.000 -0.034) 2.519 2.230 ( 4.724 0.000 -1.482) 4.951 2.403 ( 2.226 0.000 0.414) 2.264 2.435 ( -1.525 0.000 3.896) 4.184 2.498 ( 6.529 0.000 0.579) 6.554 2.587 ( -0.492 0.000 -2.550) 2.598 2.599 ( 2.610 0.000 2.120) 3.363 2.651 ( 3.759 0.000 1.031) 3.898 2.745 ( 0.801 0.000 -2.569) 2.691 2.748 ( 0.650 0.000 2.226) 2.319 2.830 ( 0.624 0.000 0.748) 0.974 2.920 ( 4.468 0.000 -0.826) 4.543 3.048 ( -2.168 0.000 -2.887) 3.610 3.101 ( -2.490 0.000 -0.410) 2.524 3.130 ( -0.551 0.000 1.644) 1.733 3.211 ( 0.563 0.000 -0.359) 0.668 3.216 ( 5.132 0.000 1.303) 5.295 3.249 ( 1.761 0.000 3.649) 4.052 3.295 ( 0.039 0.000 -3.197) 3.197 3.330 ( 2.121 0.000 2.993) 3.668 3.447 ( -4.492 0.000 3.225) 5.530 3.584 ( -3.299 0.000 -0.480) 3.334 3.626 ( -0.981 0.000 -0.928) 1.351 3.672 ( -2.305 0.000 -1.846) 2.953 3.774 ( -3.896 0.000 -1.709) 4.255 3.797 ( 0.263 0.000 3.791) 3.800 3.932 ( 2.524 0.000 -0.114) 2.526 4.072 ( 1.508 0.000 -3.506) 3.816 4.086 ( 0.160 0.000 1.930) 1.937 4.136 ( 0.888 0.000 0.481) 1.010 4.225 ( -0.023 0.000 -3.388) 3.388 4.247 ( -1.486 0.000 2.696) 3.079 4.422 ( -5.044 0.000 -1.001) 5.142 4.461 ( 0.342 0.000 3.075) 3.094 4.522 ( -1.992 0.000 -7.638) 7.893 4.545 ( 2.207 0.000 0.671) 2.307 4.684 ( -6.338 0.000 -5.564) 8.433 4.776 ( 0.250 0.000 1.090) 1.118 4.840 ( 0.124 0.000 0.190) 0.227 4.894 ( 1.756 0.000 0.161) 1.763 5.220 ( -13.113 0.000 3.116) 13.478 5.248 ( -5.431 0.000 4.275) 6.912 5.348 ( -2.704 0.000 -0.708) 2.796 5.392 ( -0.917 0.000 -0.966) 1.332 5.458 ( -3.465 0.000 1.081) 3.630 5.491 ( -4.838 0.000 4.373) 6.521 6.503 ( -1.249 0.000 0.578) 1.376 6.514 ( -1.044 0.000 -0.910) 1.385 6.643 ( -1.318 0.000 0.596) 1.447 6.652 ( -1.089 0.000 -0.482) 1.191 6.881 ( -0.323 0.000 -0.222) 0.392 6.924 ( -1.914 0.000 1.285) 2.305 6.931 ( 1.413 0.000 -1.373) 1.970 7.046 ( 0.208 0.000 -1.217) 1.235 8.271 ( 2.163 0.000 -0.280) 2.181 8.287 ( 3.226 0.000 -0.011) 3.226 8.411 ( 3.601 0.000 -4.761) 5.970 8.903 ( 15.859 0.000 -12.918) 20.454 9.646 ( -4.747 0.000 3.216) 5.733 9.719 ( -1.058 0.000 0.867) 1.368 9.739 ( -0.574 0.000 0.041) 0.575 9.751 ( -0.290 0.000 0.151) 0.327 10.036 ( -0.441 0.000 0.672) 0.804 10.044 ( 0.523 0.000 -0.206) 0.563 10.048 ( 0.853 0.000 0.307) 0.907 10.063 ( 0.177 0.000 -0.190) 0.260 12.881 ( -5.418 0.000 4.440) 7.005 12.948 ( -1.759 0.000 0.926) 1.988 13.031 ( -3.729 0.000 -5.088) 6.308 13.039 ( -0.804 0.000 1.099) 1.362 13.255 ( -11.481 0.000 5.004) 12.524 13.336 ( -4.365 0.000 2.752) 5.160 13.509 ( -5.485 0.000 7.695) 9.450 14.038 ( 0.087 0.000 5.213) 5.213 14.085 ( -0.944 0.000 -0.394) 1.023 14.106 ( 0.344 0.000 3.766) 3.782 14.818 ( -2.723 0.000 7.127) 7.630 15.189 ( 0.036 0.000 -0.699) 0.700 15.224 ( 2.758 0.000 0.508) 2.804 15.369 ( 7.074 0.000 4.864) 8.585 15.526 ( -5.848 0.000 -0.090) 5.849 15.578 ( -0.411 0.000 6.425) 6.438 17.121 ( -1.004 0.000 -1.931) 2.176 17.148 ( 1.848 0.000 0.751) 1.995 17.254 ( -6.399 0.000 -7.581) 9.920 17.619 ( 0.836 0.000 -4.652) 4.726 ======================= Grid point 57 (21/51) ======================= q-point: ( 0.18 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( 11.154 0.000 -5.868) 12.603 0.858 ( 9.418 0.000 7.017) 11.745 0.897 ( 10.249 0.000 -4.863) 11.345 0.908 ( 10.993 0.000 3.845) 11.646 1.146 ( 0.927 0.000 5.883) 5.956 1.212 ( -0.205 0.000 1.434) 1.449 1.250 ( 5.840 0.000 -16.019) 17.050 1.254 ( 2.628 0.000 8.700) 9.088 1.302 ( 4.220 0.000 -0.389) 4.238 1.381 ( -0.448 0.000 2.239) 2.283 1.553 ( -2.748 0.000 4.182) 5.004 1.563 ( 2.102 0.000 5.500) 5.888 1.659 ( 8.714 0.000 -1.234) 8.801 1.753 ( 7.869 0.000 -3.517) 8.620 1.792 ( -1.385 0.000 -0.318) 1.421 1.829 ( 0.256 0.000 -3.412) 3.421 1.830 ( 1.850 0.000 -1.330) 2.279 1.913 ( 3.086 0.000 -0.822) 3.193 1.939 ( -0.811 0.000 0.999) 1.287 1.989 ( 1.193 0.000 -6.669) 6.775 2.176 ( 3.355 0.000 1.843) 3.828 2.191 ( 2.414 0.000 -1.190) 2.691 2.263 ( 4.520 0.000 -0.074) 4.521 2.316 ( 4.133 0.000 -0.592) 4.175 2.452 ( 3.333 0.000 -1.409) 3.618 2.454 ( 1.152 0.000 3.864) 4.032 2.589 ( 3.316 0.000 -2.258) 4.011 2.621 ( 1.962 0.000 2.908) 3.508 2.661 ( 2.580 0.000 2.897) 3.879 2.741 ( 2.317 0.000 2.604) 3.486 2.767 ( 2.986 0.000 -2.106) 3.654 2.797 ( 2.424 0.000 2.752) 3.667 2.849 ( 2.842 0.000 -1.861) 3.397 3.012 ( 1.517 0.000 -4.662) 4.902 3.017 ( 4.903 0.000 -0.537) 4.933 3.073 ( -0.850 0.000 2.815) 2.940 3.137 ( 0.408 0.000 1.975) 2.017 3.222 ( -2.835 0.000 -2.309) 3.657 3.234 ( 1.872 0.000 -1.451) 2.368 3.269 ( 0.325 0.000 -1.650) 1.682 3.357 ( 4.211 0.000 0.055) 4.212 3.359 ( -1.941 0.000 2.764) 3.377 3.412 ( 0.306 0.000 1.639) 1.667 3.512 ( -2.372 0.000 -0.393) 2.404 3.592 ( -3.471 0.000 -0.825) 3.567 3.636 ( 1.239 0.000 3.148) 3.383 3.715 ( -1.846 0.000 -1.135) 2.167 3.833 ( 0.608 0.000 2.563) 2.634 3.960 ( -0.351 0.000 0.801) 0.874 4.009 ( -4.298 0.000 -4.008) 5.877 4.107 ( 0.744 0.000 1.266) 1.468 4.127 ( -1.111 0.000 0.450) 1.199 4.202 ( -4.319 0.000 -1.029) 4.440 4.229 ( -1.942 0.000 2.449) 3.125 4.341 ( -0.233 0.000 -0.657) 0.698 4.401 ( -5.543 0.000 -3.628) 6.624 4.465 ( -1.312 0.000 -2.862) 3.148 4.553 ( -0.604 0.000 -3.128) 3.185 4.584 ( -0.024 0.000 -0.879) 0.879 4.750 ( -2.811 0.000 -0.308) 2.828 4.854 ( -0.366 0.000 3.464) 3.483 4.903 ( -0.596 0.000 -0.825) 1.018 5.036 ( -6.122 0.000 1.311) 6.261 5.165 ( -4.724 0.000 2.815) 5.499 5.276 ( -3.989 0.000 -0.535) 4.025 5.336 ( -4.490 0.000 -0.232) 4.496 5.409 ( -2.675 0.000 0.360) 2.699 5.419 ( -3.772 0.000 2.146) 4.340 6.474 ( -1.853 0.000 0.679) 1.973 6.482 ( -1.538 0.000 -0.818) 1.742 6.611 ( -2.246 0.000 0.555) 2.314 6.619 ( -1.906 0.000 -0.450) 1.959 6.869 ( -0.774 0.000 -0.418) 0.880 6.890 ( -1.695 0.000 0.752) 1.855 6.954 ( 0.729 0.000 -0.504) 0.887 7.027 ( -1.241 0.000 -0.297) 1.276 8.340 ( 4.016 0.000 1.085) 4.160 8.367 ( 4.627 0.000 -0.538) 4.658 8.499 ( 7.034 0.000 -5.022) 8.643 8.988 ( 0.363 0.000 -3.716) 3.733 9.612 ( -0.310 0.000 0.694) 0.760 9.695 ( -1.720 0.000 0.839) 1.914 9.726 ( -0.732 0.000 0.035) 0.732 9.739 ( -0.915 0.000 0.172) 0.931 10.041 ( 0.534 0.000 0.177) 0.563 10.056 ( 0.683 0.000 -0.005) 0.683 10.070 ( 0.788 0.000 -0.324) 0.851 10.072 ( 1.279 0.000 0.298) 1.313 12.844 ( -0.522 0.000 1.498) 1.587 12.909 ( -2.461 0.000 0.511) 2.513 12.949 ( -1.928 0.000 -2.342) 3.034 13.010 ( -1.616 0.000 -0.892) 1.846 13.168 ( -2.137 0.000 0.697) 2.248 13.248 ( -5.714 0.000 1.818) 5.996 13.482 ( -2.823 0.000 7.718) 8.218 14.025 ( -2.200 0.000 2.018) 2.985 14.061 ( -1.120 0.000 -0.318) 1.164 14.104 ( -2.556 0.000 3.370) 4.229 14.817 ( -2.450 0.000 6.481) 6.928 15.171 ( -1.644 0.000 -0.532) 1.728 15.274 ( 1.115 0.000 0.562) 1.248 15.283 ( -11.465 0.000 -3.837) 12.090 15.380 ( -8.397 0.000 0.568) 8.416 15.522 ( -9.783 0.000 0.717) 9.809 17.156 ( 6.165 0.000 0.557) 6.190 17.208 ( 4.005 0.000 0.210) 4.011 17.215 ( 3.277 0.000 -1.595) 3.645 17.573 ( -1.543 0.000 -3.920) 4.213 ======================= Grid point 58 (22/51) ======================= q-point: ( 0.27 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( 5.749 0.000 -7.892) 9.764 1.004 ( 2.909 0.000 -3.623) 4.646 1.057 ( 6.039 0.000 5.100) 7.904 1.081 ( 4.648 0.000 2.311) 5.190 1.174 ( 2.054 0.000 -1.139) 2.349 1.207 ( -1.890 0.000 3.067) 3.602 1.283 ( -1.100 0.000 0.532) 1.222 1.289 ( 5.690 0.000 -10.345) 11.806 1.374 ( -1.503 0.000 -1.157) 1.897 1.437 ( 4.232 0.000 10.539) 11.357 1.528 ( -1.711 0.000 7.579) 7.769 1.605 ( -1.865 0.000 2.201) 2.885 1.765 ( 2.975 0.000 2.239) 3.723 1.825 ( 2.164 0.000 -4.490) 4.985 1.841 ( 6.177 0.000 -4.531) 7.661 1.878 ( 6.168 0.000 -2.544) 6.672 1.929 ( 8.273 0.000 -1.590) 8.424 1.948 ( 2.913 0.000 -0.968) 3.070 1.952 ( 0.735 0.000 -3.472) 3.549 2.055 ( 7.389 0.000 0.589) 7.412 2.257 ( 4.311 0.000 -0.265) 4.319 2.268 ( 4.679 0.000 1.297) 4.855 2.328 ( 2.024 0.000 -0.864) 2.200 2.371 ( 1.506 0.000 0.108) 1.510 2.535 ( 4.787 0.000 1.068) 4.904 2.541 ( 5.900 0.000 2.313) 6.337 2.628 ( -0.114 0.000 3.343) 3.345 2.682 ( 4.936 0.000 -0.136) 4.938 2.725 ( 1.002 0.000 -2.155) 2.377 2.770 ( 1.938 0.000 1.502) 2.452 2.788 ( -3.008 0.000 2.801) 4.110 2.802 ( 0.506 0.000 3.272) 3.311 2.984 ( 8.921 0.000 -2.460) 9.254 3.036 ( 0.986 0.000 -0.186) 1.003 3.072 ( -0.101 0.000 0.860) 0.866 3.128 ( -4.529 0.000 -1.890) 4.907 3.131 ( 5.465 0.000 1.912) 5.789 3.165 ( 1.279 0.000 0.202) 1.295 3.246 ( 0.283 0.000 -0.653) 0.712 3.270 ( 0.137 0.000 -1.625) 1.631 3.352 ( 1.572 0.000 -0.066) 1.574 3.401 ( 0.828 0.000 -0.434) 0.935 3.435 ( 0.790 0.000 0.538) 0.956 3.473 ( -1.593 0.000 -0.861) 1.811 3.543 ( -1.666 0.000 -0.264) 1.687 3.631 ( -2.183 0.000 -1.915) 2.904 3.747 ( 3.515 0.000 3.471) 4.940 3.824 ( -3.593 0.000 -1.029) 3.738 3.900 ( -2.513 0.000 -3.628) 4.413 3.939 ( -1.335 0.000 0.594) 1.461 4.066 ( -4.943 0.000 0.669) 4.988 4.125 ( -0.205 0.000 2.126) 2.135 4.136 ( -0.268 0.000 0.578) 0.637 4.167 ( -2.964 0.000 -3.749) 4.779 4.306 ( -2.536 0.000 -1.264) 2.833 4.366 ( 1.254 0.000 0.838) 1.509 4.455 ( 1.201 0.000 1.243) 1.729 4.492 ( -2.443 0.000 -5.691) 6.193 4.597 ( -0.565 0.000 2.151) 2.224 4.672 ( -4.952 0.000 1.944) 5.320 4.859 ( -1.181 0.000 3.680) 3.865 4.872 ( -1.259 0.000 -1.648) 2.073 4.975 ( -0.889 0.000 -1.629) 1.856 5.089 ( -4.568 0.000 1.438) 4.789 5.191 ( -4.086 0.000 -0.435) 4.109 5.232 ( -5.305 0.000 -0.055) 5.306 5.352 ( -3.101 0.000 0.243) 3.111 5.360 ( -3.343 0.000 1.037) 3.500 6.443 ( -1.666 0.000 0.812) 1.853 6.449 ( -1.222 0.000 -0.661) 1.389 6.565 ( -2.628 0.000 0.513) 2.677 6.574 ( -2.250 0.000 -0.477) 2.300 6.848 ( -0.989 0.000 -0.381) 1.060 6.866 ( -1.073 0.000 0.484) 1.177 6.954 ( -0.287 0.000 -0.288) 0.406 7.002 ( -1.107 0.000 -0.043) 1.108 8.421 ( 2.810 0.000 2.421) 3.709 8.452 ( 4.221 0.000 -1.358) 4.434 8.603 ( 6.055 0.000 -4.504) 7.546 8.937 ( -3.927 0.000 1.061) 4.068 9.621 ( 0.943 0.000 -0.920) 1.318 9.667 ( -1.501 0.000 0.816) 1.709 9.713 ( -0.561 0.000 -0.007) 0.561 9.720 ( -1.091 0.000 0.201) 1.109 10.056 ( 0.849 0.000 -0.096) 0.855 10.071 ( 0.766 0.000 0.348) 0.841 10.087 ( 1.096 0.000 -0.508) 1.208 10.099 ( 1.231 0.000 0.243) 1.255 12.841 ( -0.974 0.000 0.715) 1.208 12.864 ( -2.375 0.000 0.692) 2.474 12.926 ( 0.397 0.000 -1.561) 1.611 12.978 ( -1.258 0.000 -0.224) 1.277 13.141 ( 0.474 0.000 -3.809) 3.838 13.145 ( -5.208 0.000 1.517) 5.425 13.486 ( -1.770 0.000 8.854) 9.029 13.988 ( -2.291 0.000 0.101) 2.294 14.042 ( -0.536 0.000 -0.232) 0.584 14.065 ( -2.120 0.000 0.703) 2.234 14.785 ( -4.509 0.000 5.521) 7.129 14.964 ( -13.499 0.000 -9.635) 16.585 15.113 ( -4.256 0.000 0.016) 4.256 15.186 ( -8.463 0.000 -0.811) 8.501 15.289 ( -2.465 0.000 1.757) 3.027 15.344 ( -6.712 0.000 -0.752) 6.754 17.247 ( 3.683 0.000 -0.307) 3.696 17.308 ( 5.784 0.000 0.065) 5.784 17.352 ( 6.520 0.000 4.632) 7.998 17.532 ( -0.085 0.000 -4.129) 4.130 ======================= Grid point 59 (23/51) ======================= q-point: ( 0.36 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( 0.481 0.000 -3.286) 3.321 0.994 ( -0.519 0.000 -3.298) 3.339 1.139 ( 1.491 0.000 -1.338) 2.004 1.167 ( 2.393 0.000 2.009) 3.124 1.178 ( -1.543 0.000 2.279) 2.752 1.185 ( 0.519 0.000 -1.795) 1.868 1.257 ( -2.133 0.000 1.800) 2.791 1.300 ( -2.871 0.000 -1.640) 3.306 1.353 ( 4.219 0.000 -6.054) 7.379 1.516 ( -3.652 0.000 -2.832) 4.622 1.576 ( 0.927 0.000 6.538) 6.603 1.578 ( 1.694 0.000 9.654) 9.802 1.856 ( 4.412 0.000 -4.181) 6.078 1.898 ( 7.175 0.000 -0.990) 7.243 1.907 ( 2.417 0.000 -1.527) 2.859 1.939 ( 1.336 0.000 -2.635) 2.954 2.000 ( 4.715 0.000 -0.262) 4.722 2.013 ( 6.683 0.000 2.751) 7.227 2.109 ( 8.939 0.000 -5.947) 10.736 2.163 ( 1.618 0.000 3.065) 3.466 2.334 ( 2.887 0.000 0.011) 2.887 2.337 ( -0.346 0.000 1.795) 1.828 2.374 ( 4.603 0.000 0.535) 4.634 2.375 ( -0.940 0.000 -0.235) 0.968 2.621 ( 2.754 0.000 -0.509) 2.801 2.633 ( 0.634 0.000 3.890) 3.941 2.684 ( -1.850 0.000 0.094) 1.852 2.714 ( 4.916 0.000 -1.195) 5.059 2.769 ( 2.580 0.000 4.730) 5.387 2.787 ( 5.078 0.000 0.719) 5.128 2.797 ( -1.396 0.000 6.022) 6.182 2.881 ( 4.422 0.000 -0.717) 4.480 3.011 ( -5.021 0.000 -1.720) 5.307 3.040 ( -2.580 0.000 3.007) 3.962 3.045 ( -1.053 0.000 0.998) 1.450 3.120 ( 2.968 0.000 -0.866) 3.091 3.189 ( 1.624 0.000 0.200) 1.636 3.200 ( -0.582 0.000 0.677) 0.893 3.229 ( -1.570 0.000 -6.047) 6.248 3.318 ( 5.866 0.000 1.914) 6.170 3.396 ( -0.558 0.000 -0.683) 0.882 3.399 ( 2.976 0.000 -1.446) 3.309 3.444 ( -0.501 0.000 -1.294) 1.387 3.463 ( 2.797 0.000 0.442) 2.832 3.498 ( -2.290 0.000 -1.329) 2.648 3.593 ( -0.415 0.000 -0.993) 1.076 3.692 ( -5.942 0.000 -4.872) 7.685 3.796 ( 0.411 0.000 -1.101) 1.176 3.870 ( -0.374 0.000 -1.059) 1.123 3.948 ( 0.715 0.000 3.691) 3.760 4.010 ( -1.828 0.000 1.212) 2.194 4.097 ( -1.216 0.000 -3.561) 3.763 4.138 ( -0.847 0.000 1.287) 1.540 4.156 ( 1.831 0.000 0.034) 1.831 4.261 ( 0.009 0.000 -2.681) 2.681 4.382 ( -0.880 0.000 2.807) 2.941 4.410 ( -2.220 0.000 -4.779) 5.269 4.523 ( 3.993 0.000 3.193) 5.113 4.559 ( -3.973 0.000 0.586) 4.016 4.605 ( -2.697 0.000 2.999) 4.033 4.852 ( -0.163 0.000 -0.525) 0.550 4.852 ( -1.199 0.000 1.531) 1.944 4.950 ( -0.792 0.000 -2.061) 2.208 4.990 ( -6.227 0.000 0.758) 6.273 5.120 ( -2.654 0.000 -0.253) 2.666 5.145 ( -3.185 0.000 -0.106) 3.186 5.295 ( -2.623 0.000 0.246) 2.635 5.301 ( -2.952 0.000 0.588) 3.010 6.421 ( -1.037 0.000 0.951) 1.407 6.429 ( -0.321 0.000 -0.540) 0.628 6.517 ( -2.405 0.000 0.508) 2.458 6.528 ( -1.922 0.000 -0.579) 2.007 6.830 ( -0.576 0.000 -0.117) 0.588 6.853 ( -0.499 0.000 -0.004) 0.499 6.945 ( -0.431 0.000 0.116) 0.446 6.983 ( -0.796 0.000 -0.186) 0.817 8.475 ( 1.126 0.000 2.573) 2.809 8.515 ( 3.267 0.000 -2.314) 4.004 8.682 ( 4.340 0.000 -3.205) 5.395 8.860 ( -4.681 0.000 2.257) 5.197 9.633 ( 0.888 0.000 -1.103) 1.416 9.647 ( -0.970 0.000 0.769) 1.238 9.701 ( -0.893 0.000 0.326) 0.951 9.704 ( -0.286 0.000 -0.117) 0.309 10.072 ( 0.818 0.000 -0.134) 0.829 10.088 ( 0.586 0.000 0.356) 0.686 10.104 ( 0.899 0.000 -0.399) 0.983 10.121 ( 0.754 0.000 0.115) 0.763 12.815 ( -1.592 0.000 0.203) 1.605 12.827 ( -1.649 0.000 0.575) 1.746 12.925 ( 0.130 0.000 -1.968) 1.973 12.949 ( -2.200 0.000 1.444) 2.632 13.080 ( -2.217 0.000 2.526) 3.361 13.146 ( 2.890 0.000 -6.103) 6.753 13.516 ( -0.781 0.000 9.347) 9.379 13.928 ( -2.494 0.000 -4.261) 4.937 14.038 ( 0.229 0.000 -0.193) 0.299 14.043 ( -0.338 0.000 0.176) 0.381 14.706 ( -7.358 0.000 -5.531) 9.205 14.712 ( -5.314 0.000 3.628) 6.434 15.015 ( -5.240 0.000 0.488) 5.262 15.028 ( -6.493 0.000 -0.637) 6.525 15.236 ( -3.385 0.000 1.056) 3.546 15.246 ( -3.050 0.000 -0.629) 3.114 17.318 ( 3.151 0.000 0.929) 3.285 17.423 ( 5.295 0.000 -0.018) 5.295 17.473 ( 3.131 0.000 3.415) 4.633 17.517 ( 0.857 0.000 -3.956) 4.048 ======================= Grid point 60 (24/51) ======================= q-point: ( 0.45 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( -2.276 0.000 -0.097) 2.278 0.976 ( 1.408 0.000 -3.679) 3.940 1.141 ( -0.296 0.000 -1.289) 1.323 1.158 ( -0.107 0.000 -1.898) 1.901 1.192 ( 1.554 0.000 1.291) 2.020 1.201 ( -2.373 0.000 2.274) 3.286 1.244 ( 0.478 0.000 2.370) 2.417 1.249 ( -0.677 0.000 -1.633) 1.768 1.397 ( 3.182 0.000 -4.843) 5.795 1.411 ( -4.124 0.000 -4.438) 6.059 1.618 ( 0.238 0.000 4.370) 4.377 1.642 ( -0.144 0.000 4.683) 4.685 1.920 ( -0.147 0.000 0.316) 0.349 1.934 ( 1.303 0.000 -0.454) 1.380 1.964 ( 5.053 0.000 -2.211) 5.516 1.996 ( 3.743 0.000 -2.221) 4.353 2.051 ( -0.836 0.000 3.311) 3.415 2.189 ( 2.867 0.000 -6.459) 7.067 2.193 ( 1.574 0.000 0.873) 1.799 2.216 ( 7.662 0.000 3.629) 8.478 2.298 ( -2.646 0.000 -2.211) 3.448 2.321 ( -2.685 0.000 3.365) 4.305 2.412 ( 3.430 0.000 1.480) 3.736 2.453 ( 1.985 0.000 0.926) 2.190 2.631 ( 0.119 0.000 -1.774) 1.778 2.633 ( -2.254 0.000 2.207) 3.155 2.705 ( 2.151 0.000 4.352) 4.854 2.773 ( 3.847 0.000 1.500) 4.129 2.799 ( -2.025 0.000 5.291) 5.665 2.849 ( -4.057 0.000 0.673) 4.113 2.882 ( 1.542 0.000 0.444) 1.605 2.919 ( 0.222 0.000 -1.385) 1.402 2.948 ( 5.378 0.000 -0.583) 5.410 2.996 ( -3.443 0.000 1.623) 3.806 3.030 ( -0.726 0.000 0.002) 0.726 3.060 ( -5.005 0.000 -1.100) 5.125 3.175 ( -2.457 0.000 2.423) 3.451 3.206 ( 2.456 0.000 -4.078) 4.761 3.264 ( 4.546 0.000 -1.631) 4.830 3.367 ( -0.397 0.000 -2.302) 2.336 3.391 ( 0.413 0.000 0.252) 0.483 3.422 ( -0.648 0.000 -1.953) 2.058 3.423 ( -1.218 0.000 -0.696) 1.403 3.464 ( 0.479 0.000 -2.911) 2.950 3.560 ( -1.832 0.000 0.537) 1.909 3.585 ( -0.273 0.000 -1.051) 1.086 3.613 ( 6.552 0.000 3.035) 7.220 3.787 ( -0.075 0.000 -1.303) 1.306 3.867 ( 0.719 0.000 -0.804) 1.079 3.966 ( -2.722 0.000 0.432) 2.756 3.983 ( -1.090 0.000 -0.118) 1.097 4.013 ( -1.810 0.000 -5.077) 5.390 4.149 ( 0.699 0.000 1.557) 1.707 4.191 ( 1.696 0.000 -1.519) 2.277 4.286 ( 2.628 0.000 -0.709) 2.722 4.345 ( -3.000 0.000 -1.005) 3.164 4.380 ( -0.462 0.000 3.057) 3.092 4.476 ( -3.251 0.000 -1.396) 3.538 4.614 ( 0.991 0.000 4.638) 4.743 4.638 ( 5.580 0.000 1.766) 5.852 4.823 ( -1.708 0.000 -1.759) 2.452 4.830 ( -3.942 0.000 -1.002) 4.068 4.880 ( -3.158 0.000 2.709) 4.161 4.929 ( 0.179 0.000 -1.615) 1.625 5.088 ( -0.544 0.000 0.056) 0.546 5.103 ( -1.077 0.000 -0.374) 1.140 5.259 ( -0.981 0.000 0.242) 1.011 5.260 ( -1.181 0.000 0.328) 1.226 6.412 ( -0.510 0.000 1.046) 1.164 6.430 ( 0.665 0.000 -0.664) 0.940 6.480 ( -1.544 0.000 0.712) 1.700 6.497 ( -0.701 0.000 -0.709) 0.997 6.825 ( 0.012 0.000 0.219) 0.219 6.843 ( -0.323 0.000 -0.487) 0.584 6.943 ( 0.043 0.000 0.568) 0.569 6.968 ( -0.452 0.000 -0.473) 0.654 8.498 ( -0.217 0.000 2.166) 2.176 8.555 ( 2.564 0.000 -3.351) 4.219 8.743 ( 3.331 0.000 -1.403) 3.615 8.781 ( -4.636 0.000 2.307) 5.178 9.636 ( -0.693 0.000 0.619) 0.929 9.643 ( 0.702 0.000 -0.907) 1.147 9.691 ( -0.386 0.000 0.468) 0.607 9.700 ( -0.028 0.000 -0.251) 0.252 10.085 ( 0.520 0.000 -0.004) 0.520 10.095 ( -0.053 0.000 -0.043) 0.068 10.118 ( 0.596 0.000 0.046) 0.598 10.129 ( 0.067 0.000 -0.076) 0.101 12.793 ( -0.515 0.000 0.181) 0.546 12.805 ( -0.840 0.000 0.021) 0.840 12.914 ( -1.862 0.000 1.087) 2.156 12.915 ( 0.525 0.000 -1.339) 1.438 13.074 ( -0.747 0.000 2.933) 3.026 13.167 ( 2.504 0.000 -5.895) 6.404 13.562 ( -0.446 0.000 9.997) 10.007 13.850 ( -1.556 0.000 -7.341) 7.504 14.044 ( 0.049 0.000 0.071) 0.086 14.044 ( 0.373 0.000 -0.183) 0.415 14.609 ( -0.620 0.000 -1.044) 1.214 14.633 ( -3.681 0.000 1.409) 3.941 14.936 ( -2.470 0.000 0.279) 2.486 14.937 ( -2.074 0.000 -0.392) 2.111 15.187 ( -1.757 0.000 0.895) 1.972 15.205 ( -0.823 0.000 -0.767) 1.125 17.376 ( 1.669 0.000 2.216) 2.774 17.482 ( 0.370 0.000 -2.494) 2.522 17.519 ( 0.013 0.000 1.972) 1.972 17.529 ( 2.659 0.000 -1.511) 3.058 ======================= Grid point 61 (25/51) ======================= q-point: (-0.45 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( 0.444 0.000 -0.338) 0.558 1.012 ( 4.136 0.000 -4.377) 6.022 1.129 ( -0.211 0.000 0.549) 0.588 1.145 ( -1.219 0.000 -1.790) 2.166 1.167 ( -1.801 0.000 2.709) 3.253 1.225 ( 0.932 0.000 -0.108) 0.938 1.253 ( 0.956 0.000 0.262) 0.991 1.254 ( -0.678 0.000 0.066) 0.681 1.314 ( -2.742 0.000 -0.400) 2.771 1.425 ( 2.510 0.000 -3.680) 4.454 1.639 ( -1.863 0.000 2.424) 3.057 1.644 ( -0.211 0.000 3.730) 3.736 1.917 ( -0.248 0.000 0.449) 0.513 1.927 ( -0.966 0.000 -0.433) 1.059 2.000 ( -2.219 0.000 -3.144) 3.849 2.001 ( -2.147 0.000 -0.960) 2.352 2.052 ( -0.724 0.000 3.744) 3.813 2.095 ( -6.954 0.000 -1.877) 7.203 2.248 ( 0.719 0.000 -3.257) 3.336 2.253 ( 2.875 0.000 -0.034) 2.875 2.264 ( -4.672 0.000 2.177) 5.154 2.364 ( 3.146 0.000 -0.294) 3.160 2.440 ( -2.808 0.000 -0.587) 2.869 2.475 ( -0.488 0.000 -0.447) 0.661 2.603 ( -1.612 0.000 0.576) 1.712 2.649 ( 3.364 0.000 3.114) 4.584 2.727 ( -4.117 0.000 0.431) 4.139 2.768 ( -3.697 0.000 2.951) 4.730 2.809 ( 4.233 0.000 4.038) 5.850 2.854 ( 1.876 0.000 1.678) 2.517 2.899 ( -1.008 0.000 -0.968) 1.397 2.930 ( -3.003 0.000 0.364) 3.025 2.932 ( 1.503 0.000 2.888) 3.256 2.968 ( -2.210 0.000 -2.045) 3.011 3.020 ( 0.763 0.000 -1.559) 1.736 3.054 ( 3.842 0.000 -0.582) 3.885 3.117 ( -5.794 0.000 4.129) 7.114 3.232 ( 1.329 0.000 -3.391) 3.643 3.313 ( 0.353 0.000 1.289) 1.336 3.325 ( -0.761 0.000 -4.422) 4.487 3.379 ( -1.650 0.000 -1.758) 2.411 3.408 ( 0.708 0.000 1.397) 1.566 3.423 ( 1.856 0.000 -0.690) 1.981 3.444 ( -0.649 0.000 -1.948) 2.053 3.553 ( 0.374 0.000 1.740) 1.779 3.571 ( 0.299 0.000 -0.860) 0.910 3.732 ( -6.207 0.000 -5.580) 8.346 3.758 ( 3.320 0.000 2.152) 3.956 3.864 ( -1.677 0.000 -0.805) 1.860 3.897 ( 2.742 0.000 2.423) 3.659 3.986 ( 1.571 0.000 -0.138) 1.577 4.021 ( 2.582 0.000 -3.514) 4.361 4.166 ( 0.202 0.000 0.866) 0.889 4.201 ( 0.974 0.000 -3.255) 3.397 4.270 ( -4.309 0.000 0.759) 4.376 4.323 ( 0.641 0.000 0.850) 1.065 4.422 ( 3.123 0.000 2.926) 4.280 4.434 ( -0.176 0.000 -1.583) 1.593 4.650 ( -1.198 0.000 2.832) 3.075 4.684 ( -3.721 0.000 -0.650) 3.777 4.787 ( 3.955 0.000 0.709) 4.018 4.796 ( 0.677 0.000 0.022) 0.678 4.882 ( 0.413 0.000 2.229) 2.267 4.941 ( 2.054 0.000 -2.112) 2.946 5.095 ( 0.663 0.000 -0.595) 0.891 5.097 ( 1.327 0.000 0.174) 1.339 5.261 ( 1.102 0.000 0.108) 1.107 5.263 ( 1.271 0.000 0.207) 1.288 6.411 ( -0.207 0.000 0.871) 0.896 6.439 ( 0.541 0.000 -1.099) 1.225 6.474 ( 0.629 0.000 1.160) 1.319 6.497 ( 1.075 0.000 -0.632) 1.247 6.831 ( 0.413 0.000 0.452) 0.612 6.835 ( -0.176 0.000 -0.591) 0.617 6.953 ( 0.585 0.000 0.720) 0.927 6.960 ( 0.015 0.000 -0.760) 0.760 8.494 ( -1.277 0.000 1.789) 2.198 8.577 ( 2.104 0.000 -4.638) 5.093 8.703 ( -4.638 0.000 2.177) 5.124 8.800 ( 2.717 0.000 0.474) 2.758 9.626 ( -0.573 0.000 0.422) 0.712 9.651 ( 0.607 0.000 -0.636) 0.880 9.691 ( 0.152 0.000 0.431) 0.457 9.700 ( 0.268 0.000 -0.284) 0.391 10.087 ( -0.579 0.000 -0.179) 0.606 10.091 ( 0.002 0.000 0.208) 0.208 10.123 ( -0.579 0.000 -0.275) 0.641 10.126 ( 0.007 0.000 0.200) 0.200 12.797 ( 0.193 0.000 -0.099) 0.217 12.799 ( 0.820 0.000 0.432) 0.927 12.895 ( -0.339 0.000 0.406) 0.530 12.940 ( 2.629 0.000 -1.075) 2.840 13.066 ( -1.982 0.000 3.028) 3.619 13.169 ( 1.155 0.000 -5.424) 5.545 13.619 ( -0.279 0.000 11.602) 11.605 13.783 ( -0.414 0.000 -8.521) 8.531 14.041 ( -0.327 0.000 0.035) 0.329 14.046 ( -0.046 0.000 -0.114) 0.123 14.596 ( -0.285 0.000 0.085) 0.297 14.656 ( 5.363 0.000 -0.316) 5.372 14.932 ( 2.052 0.000 0.092) 2.054 14.944 ( 2.803 0.000 -0.313) 2.820 15.183 ( 0.808 0.000 0.908) 1.215 15.206 ( 1.415 0.000 -0.640) 1.553 17.407 ( -0.221 0.000 3.290) 3.297 17.441 ( -2.391 0.000 -2.999) 3.835 17.499 ( -3.009 0.000 1.104) 3.206 17.561 ( 1.001 0.000 -1.292) 1.635 ======================= Grid point 62 (26/51) ======================= q-point: (-0.36 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( 2.033 0.000 -0.600) 2.119 0.972 ( -7.650 0.000 -3.033) 8.229 1.130 ( 1.186 0.000 -0.856) 1.462 1.144 ( 0.868 0.000 1.254) 1.525 1.167 ( 1.193 0.000 1.612) 2.006 1.213 ( -1.986 0.000 -0.825) 2.151 1.246 ( -1.144 0.000 2.421) 2.677 1.274 ( 1.038 0.000 -0.659) 1.230 1.321 ( 2.929 0.000 -0.128) 2.931 1.462 ( 1.807 0.000 1.541) 2.375 1.608 ( -2.483 0.000 2.247) 3.349 1.653 ( -0.540 0.000 2.139) 2.206 1.873 ( -5.765 0.000 -4.934) 7.588 1.889 ( -3.385 0.000 0.901) 3.503 1.914 ( -2.119 0.000 0.078) 2.120 1.925 ( -3.416 0.000 -2.876) 4.465 1.962 ( -6.029 0.000 2.258) 6.438 2.017 ( -4.600 0.000 0.490) 4.626 2.107 ( -7.623 0.000 -3.338) 8.322 2.219 ( -3.318 0.000 -1.553) 3.663 2.317 ( 1.198 0.000 1.002) 1.562 2.367 ( -3.590 0.000 -0.148) 3.593 2.385 ( -2.465 0.000 -0.361) 2.491 2.403 ( -2.857 0.000 -1.712) 3.331 2.570 ( -1.716 0.000 1.227) 2.109 2.689 ( -4.443 0.000 -0.427) 4.463 2.706 ( 0.262 0.000 0.316) 0.411 2.742 ( 2.933 0.000 -0.988) 3.095 2.795 ( -5.612 0.000 0.540) 5.638 2.842 ( -4.296 0.000 2.699) 5.074 2.884 ( -0.485 0.000 -2.957) 2.996 2.911 ( -2.042 0.000 2.693) 3.379 2.928 ( 1.411 0.000 2.755) 3.095 3.008 ( 3.335 0.000 -0.531) 3.377 3.020 ( -6.034 0.000 5.615) 8.242 3.097 ( 0.724 0.000 -1.389) 1.566 3.099 ( 6.655 0.000 2.441) 7.088 3.210 ( -1.436 0.000 -1.144) 1.836 3.296 ( 0.658 0.000 -5.967) 6.003 3.331 ( 0.905 0.000 0.331) 0.963 3.354 ( -0.868 0.000 1.847) 2.041 3.386 ( -3.376 0.000 -0.325) 3.392 3.422 ( -0.774 0.000 0.037) 0.775 3.462 ( 0.594 0.000 0.965) 1.133 3.538 ( -5.562 0.000 -6.086) 8.245 3.564 ( -0.378 0.000 1.477) 1.524 3.627 ( 4.641 0.000 0.920) 4.731 3.781 ( 0.177 0.000 -0.489) 0.520 3.865 ( 0.773 0.000 -0.627) 0.995 3.988 ( 3.190 0.000 3.842) 4.994 4.010 ( -0.171 0.000 -0.541) 0.567 4.069 ( 4.451 0.000 -3.380) 5.588 4.159 ( -1.124 0.000 -0.654) 1.300 4.193 ( -1.724 0.000 2.481) 3.022 4.219 ( 1.826 0.000 -4.417) 4.779 4.317 ( -1.967 0.000 2.895) 3.500 4.437 ( 1.061 0.000 -1.435) 1.785 4.522 ( 4.000 0.000 1.476) 4.264 4.618 ( -0.369 0.000 -1.494) 1.539 4.639 ( 0.379 0.000 0.473) 0.606 4.826 ( 0.290 0.000 2.563) 2.580 4.869 ( 3.386 0.000 -0.727) 3.463 4.913 ( 1.501 0.000 1.356) 2.023 4.985 ( 3.146 0.000 -0.393) 3.170 5.125 ( 2.832 0.000 -0.661) 2.908 5.142 ( 3.195 0.000 0.178) 3.199 5.300 ( 2.648 0.000 -0.078) 2.649 5.308 ( 2.931 0.000 0.256) 2.942 6.417 ( 0.493 0.000 0.561) 0.747 6.445 ( 0.834 0.000 -0.849) 1.190 6.510 ( 2.075 0.000 0.854) 2.244 6.528 ( 2.251 0.000 -0.449) 2.295 6.832 ( 0.317 0.000 -0.354) 0.475 6.846 ( 0.748 0.000 0.442) 0.869 6.960 ( 0.496 0.000 -0.946) 1.068 6.972 ( 0.842 0.000 0.662) 1.071 8.469 ( -2.274 0.000 1.521) 2.736 8.581 ( 1.482 0.000 -6.594) 6.759 8.621 ( -5.151 0.000 2.312) 5.646 8.851 ( 1.331 0.000 2.606) 2.926 9.619 ( -0.215 0.000 0.044) 0.220 9.661 ( 0.681 0.000 -0.321) 0.753 9.700 ( 0.530 0.000 0.195) 0.565 9.708 ( 0.601 0.000 -0.135) 0.616 10.072 ( -0.770 0.000 -0.160) 0.786 10.087 ( -0.579 0.000 0.411) 0.710 10.104 ( -1.008 0.000 -0.409) 1.088 10.120 ( -0.695 0.000 0.165) 0.714 12.814 ( 1.550 0.000 0.255) 1.571 12.826 ( 1.391 0.000 0.578) 1.507 12.905 ( 1.108 0.000 -0.107) 1.113 12.986 ( 1.326 0.000 -1.790) 2.227 13.049 ( -0.116 0.000 3.005) 3.008 13.159 ( 1.446 0.000 -4.648) 4.868 13.698 ( 0.672 0.000 14.302) 14.318 13.732 ( 0.676 0.000 -9.070) 9.096 14.036 ( -0.122 0.000 -0.018) 0.124 14.045 ( 0.110 0.000 0.020) 0.112 14.625 ( 2.762 0.000 1.085) 2.967 14.791 ( 8.326 0.000 -2.797) 8.783 15.018 ( 6.371 0.000 0.298) 6.378 15.033 ( 6.011 0.000 -0.885) 6.075 15.225 ( 2.698 0.000 1.057) 2.897 15.252 ( 3.426 0.000 -0.352) 3.444 17.359 ( -4.059 0.000 -2.314) 4.672 17.409 ( -2.321 0.000 2.660) 3.530 17.419 ( -4.700 0.000 2.332) 5.247 17.551 ( -0.819 0.000 -2.752) 2.871 ======================= Grid point 63 (27/51) ======================= q-point: (-0.27 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( -11.582 0.000 5.256) 12.719 0.954 ( -4.745 0.000 0.346) 4.757 1.104 ( -4.001 0.000 0.460) 4.027 1.135 ( -2.631 0.000 -2.372) 3.542 1.148 ( -5.989 0.000 0.683) 6.028 1.174 ( -0.097 0.000 -0.445) 0.456 1.257 ( 1.844 0.000 -0.481) 1.905 1.286 ( 0.740 0.000 0.156) 0.756 1.396 ( 3.631 0.000 -1.945) 4.119 1.486 ( -2.092 0.000 3.823) 4.358 1.587 ( -1.231 0.000 5.764) 5.894 1.648 ( -1.811 0.000 2.712) 3.261 1.748 ( -3.480 0.000 -3.789) 5.145 1.804 ( -7.221 0.000 3.192) 7.895 1.824 ( -1.006 0.000 -2.552) 2.743 1.846 ( -2.481 0.000 -4.583) 5.212 1.882 ( -6.304 0.000 -1.505) 6.482 1.923 ( -1.010 0.000 0.196) 1.028 1.993 ( -2.437 0.000 -3.874) 4.577 2.073 ( -9.965 0.000 -0.059) 9.965 2.267 ( -5.413 0.000 1.258) 5.558 2.271 ( -4.809 0.000 -1.107) 4.935 2.351 ( -1.871 0.000 -2.581) 3.188 2.363 ( -0.688 0.000 1.071) 1.272 2.534 ( -3.684 0.000 1.269) 3.897 2.607 ( -2.462 0.000 -3.017) 3.894 2.671 ( -6.067 0.000 -0.742) 6.112 2.703 ( -0.960 0.000 0.897) 1.314 2.742 ( -1.366 0.000 -2.812) 3.126 2.770 ( -3.229 0.000 1.916) 3.755 2.859 ( -0.516 0.000 -1.703) 1.779 2.875 ( -3.881 0.000 2.209) 4.466 2.941 ( -4.235 0.000 1.027) 4.357 2.990 ( 2.278 0.000 5.575) 6.023 3.032 ( -2.772 0.000 2.225) 3.555 3.046 ( -3.176 0.000 -4.381) 5.411 3.173 ( -1.373 0.000 -0.738) 1.559 3.222 ( 3.473 0.000 -0.413) 3.498 3.264 ( -1.156 0.000 -2.787) 3.018 3.280 ( -3.303 0.000 -4.223) 5.362 3.353 ( -1.460 0.000 4.135) 4.386 3.363 ( 0.993 0.000 -0.502) 1.113 3.432 ( 1.212 0.000 1.398) 1.850 3.437 ( 1.058 0.000 0.571) 1.202 3.531 ( 1.602 0.000 0.230) 1.619 3.575 ( 1.418 0.000 2.299) 2.701 3.745 ( 5.707 0.000 3.698) 6.800 3.774 ( -1.144 0.000 -0.448) 1.229 3.880 ( 0.994 0.000 -0.666) 1.197 3.979 ( -0.383 0.000 -2.476) 2.505 4.073 ( 3.685 0.000 2.939) 4.713 4.125 ( -0.205 0.000 -2.460) 2.468 4.151 ( 5.023 0.000 -2.933) 5.816 4.179 ( -0.840 0.000 0.488) 0.971 4.270 ( 3.895 0.000 -1.200) 4.076 4.292 ( -3.285 0.000 5.125) 6.087 4.465 ( 2.997 0.000 -1.138) 3.205 4.527 ( -0.859 0.000 -3.399) 3.505 4.667 ( 2.998 0.000 -2.031) 3.622 4.691 ( 3.678 0.000 0.866) 3.778 4.835 ( 0.324 0.000 1.374) 1.411 4.911 ( 1.403 0.000 -0.794) 1.612 4.950 ( 2.076 0.000 0.023) 2.077 5.053 ( 2.646 0.000 3.444) 4.343 5.197 ( 4.623 0.000 -0.833) 4.697 5.225 ( 4.875 0.000 0.405) 4.892 5.358 ( 2.987 0.000 -0.096) 2.989 5.373 ( 3.255 0.000 0.441) 3.285 6.438 ( 1.299 0.000 0.373) 1.351 6.464 ( 1.547 0.000 -0.796) 1.740 6.559 ( 2.331 0.000 0.694) 2.432 6.575 ( 2.592 0.000 -0.373) 2.619 6.843 ( 0.878 0.000 -0.060) 0.880 6.866 ( 1.046 0.000 0.333) 1.098 6.967 ( 0.883 0.000 -1.195) 1.486 6.993 ( 0.804 0.000 0.691) 1.060 8.422 ( -3.363 0.000 1.175) 3.562 8.519 ( -5.664 0.000 0.693) 5.707 8.555 ( -0.380 0.000 -7.451) 7.461 8.873 ( -1.976 0.000 5.509) 5.853 9.621 ( 0.760 0.000 -0.727) 1.052 9.676 ( 1.017 0.000 0.105) 1.023 9.714 ( 0.764 0.000 -0.071) 0.767 9.722 ( 0.796 0.000 0.120) 0.805 10.057 ( -0.602 0.000 -0.188) 0.631 10.074 ( -0.981 0.000 0.570) 1.134 10.080 ( -1.118 0.000 -0.414) 1.192 10.101 ( -1.205 0.000 0.069) 1.207 12.852 ( 0.672 0.000 0.764) 1.018 12.857 ( 2.336 0.000 0.196) 2.344 12.933 ( 2.044 0.000 -1.177) 2.358 12.966 ( -0.923 0.000 -0.261) 0.959 13.111 ( 4.147 0.000 0.116) 4.148 13.191 ( 4.255 0.000 -2.758) 5.071 13.702 ( 1.828 0.000 -9.478) 9.653 13.823 ( 2.637 0.000 16.623) 16.831 14.039 ( 0.565 0.000 -0.062) 0.568 14.057 ( 1.025 0.000 0.533) 1.155 14.724 ( 5.223 0.000 6.936) 8.683 14.922 ( 6.974 0.000 -6.034) 9.222 15.139 ( 4.660 0.000 -2.153) 5.133 15.177 ( 9.046 0.000 0.411) 9.055 15.311 ( 5.545 0.000 2.108) 5.932 15.318 ( 2.899 0.000 -1.054) 3.085 17.262 ( -4.445 0.000 -1.322) 4.638 17.300 ( -6.056 0.000 0.616) 6.087 17.415 ( -0.857 0.000 5.571) 5.636 17.493 ( -2.588 0.000 -6.234) 6.750 ======================= Grid point 64 (28/51) ======================= q-point: (-0.18 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( -11.030 0.000 14.046) 17.859 0.755 ( -14.865 0.000 3.173) 15.200 0.909 ( -15.954 0.000 6.181) 17.109 1.018 ( -7.970 0.000 -4.143) 8.983 1.024 ( -6.144 0.000 -3.673) 7.159 1.195 ( 2.802 0.000 -2.065) 3.481 1.256 ( -1.492 0.000 -1.705) 2.266 1.288 ( -2.654 0.000 0.007) 2.654 1.400 ( -1.827 0.000 -0.084) 1.829 1.425 ( -3.146 0.000 1.630) 3.543 1.599 ( -5.226 0.000 6.817) 8.590 1.608 ( -3.751 0.000 3.450) 5.096 1.690 ( -1.963 0.000 -2.810) 3.428 1.739 ( 1.710 0.000 3.891) 4.250 1.766 ( -0.943 0.000 -11.100) 11.140 1.794 ( -1.171 0.000 -2.390) 2.661 1.839 ( 2.325 0.000 -2.279) 3.256 1.893 ( -4.829 0.000 -1.440) 5.039 1.908 ( -1.695 0.000 1.973) 2.601 1.953 ( 0.254 0.000 -1.412) 1.435 2.177 ( -3.384 0.000 -0.042) 3.384 2.190 ( -2.568 0.000 0.553) 2.627 2.294 ( -2.839 0.000 -2.276) 3.639 2.319 ( -4.278 0.000 -0.415) 4.298 2.450 ( -4.002 0.000 0.610) 4.048 2.533 ( -4.043 0.000 -1.765) 4.411 2.577 ( -1.585 0.000 -2.209) 2.719 2.668 ( -5.274 0.000 -0.155) 5.276 2.694 ( -0.500 0.000 0.782) 0.929 2.733 ( -2.053 0.000 0.704) 2.170 2.767 ( -8.050 0.000 2.674) 8.482 2.830 ( -1.751 0.000 -0.594) 1.849 2.880 ( -0.766 0.000 -3.386) 3.472 2.934 ( -5.137 0.000 2.854) 5.876 2.996 ( -1.560 0.000 -2.406) 2.868 3.085 ( 3.608 0.000 6.454) 7.394 3.136 ( -0.764 0.000 -2.907) 3.006 3.201 ( -1.497 0.000 -3.125) 3.465 3.218 ( -1.846 0.000 -0.630) 1.951 3.251 ( -1.232 0.000 0.193) 1.247 3.347 ( -1.586 0.000 2.881) 3.289 3.393 ( 1.450 0.000 0.113) 1.455 3.464 ( 1.147 0.000 3.074) 3.281 3.474 ( 2.419 0.000 -2.840) 3.731 3.572 ( 2.985 0.000 0.879) 3.112 3.649 ( 3.211 0.000 1.824) 3.693 3.724 ( -2.615 0.000 -1.595) 3.063 3.878 ( 0.826 0.000 2.720) 2.842 3.896 ( 4.380 0.000 1.573) 4.654 3.981 ( 1.235 0.000 -2.481) 2.771 4.125 ( 1.078 0.000 0.008) 1.078 4.156 ( 0.230 0.000 -1.554) 1.571 4.189 ( 4.363 0.000 4.719) 6.427 4.224 ( -0.639 0.000 -1.294) 1.444 4.253 ( 1.016 0.000 3.013) 3.180 4.327 ( 1.799 0.000 0.015) 1.799 4.495 ( 0.270 0.000 -3.957) 3.966 4.545 ( 5.243 0.000 -0.852) 5.312 4.646 ( -1.654 0.000 -5.860) 6.089 4.762 ( 2.567 0.000 -0.518) 2.618 4.872 ( 1.489 0.000 1.950) 2.454 4.911 ( -0.688 0.000 -1.258) 1.434 5.026 ( 5.830 0.000 1.156) 5.944 5.135 ( 3.224 0.000 5.565) 6.431 5.287 ( 4.852 0.000 -1.165) 4.990 5.327 ( 4.622 0.000 0.571) 4.658 5.412 ( 2.379 0.000 0.130) 2.383 5.441 ( 3.361 0.000 1.192) 3.566 6.470 ( 1.592 0.000 0.280) 1.617 6.493 ( 1.791 0.000 -0.800) 1.962 6.606 ( 1.932 0.000 0.591) 2.021 6.621 ( 2.237 0.000 -0.374) 2.268 6.863 ( 1.072 0.000 -0.035) 1.072 6.888 ( 0.774 0.000 0.598) 0.978 6.978 ( 1.005 0.000 -2.161) 2.383 7.010 ( 0.299 0.000 1.092) 1.133 8.353 ( -3.969 0.000 0.710) 4.032 8.404 ( -6.110 0.000 0.557) 6.135 8.468 ( -3.634 0.000 -9.576) 10.242 8.824 ( -7.554 0.000 8.458) 11.340 9.644 ( 2.169 0.000 -1.409) 2.586 9.703 ( 1.469 0.000 0.414) 1.527 9.729 ( 0.820 0.000 -0.212) 0.847 9.739 ( 0.745 0.000 0.337) 0.817 10.048 ( -0.136 0.000 -0.324) 0.351 10.055 ( -1.053 0.000 0.110) 1.059 10.061 ( -0.747 0.000 0.351) 0.825 10.076 ( -1.246 0.000 -0.058) 1.247 12.867 ( 0.512 0.000 1.513) 1.597 12.901 ( 2.583 0.000 -1.142) 2.824 12.970 ( 2.449 0.000 -1.768) 3.021 12.986 ( 3.470 0.000 -0.382) 3.491 13.193 ( 4.080 0.000 -0.774) 4.153 13.287 ( 6.192 0.000 -1.564) 6.386 13.689 ( 2.532 0.000 -9.489) 9.821 13.991 ( 4.824 0.000 10.370) 11.437 14.056 ( 1.052 0.000 0.029) 1.052 14.101 ( 2.798 0.000 4.119) 4.980 14.957 ( 11.388 0.000 22.056) 24.822 14.984 ( 3.489 0.000 -7.652) 8.410 15.180 ( 1.080 0.000 -1.725) 2.035 15.311 ( 0.066 0.000 -3.193) 3.194 15.376 ( 7.351 0.000 1.397) 7.482 15.466 ( 7.997 0.000 3.214) 8.619 17.177 ( -3.453 0.000 -0.355) 3.471 17.202 ( -3.852 0.000 0.618) 3.901 17.352 ( -6.712 0.000 -12.932) 14.570 17.454 ( 1.207 0.000 6.022) 6.142 ======================= Grid point 65 (29/51) ======================= q-point: (-0.09 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.437 ( -15.288 0.000 7.950) 17.232 0.475 ( -15.106 0.000 9.472) 17.830 0.701 ( -10.470 0.000 26.859) 28.827 0.783 ( -11.215 0.000 -6.410) 12.918 0.857 ( -6.328 0.000 -8.272) 10.415 1.161 ( -7.333 0.000 0.387) 7.343 1.189 ( -3.783 0.000 -0.936) 3.897 1.249 ( 3.601 0.000 -1.795) 4.023 1.358 ( -2.752 0.000 1.915) 3.353 1.455 ( 4.515 0.000 -1.503) 4.759 1.477 ( -7.627 0.000 7.410) 10.634 1.543 ( -3.738 0.000 -0.467) 3.767 1.663 ( 0.580 0.000 -3.241) 3.292 1.666 ( -0.805 0.000 -14.467) 14.490 1.788 ( 1.790 0.000 -3.709) 4.118 1.828 ( -0.545 0.000 -2.447) 2.507 1.842 ( 3.349 0.000 4.622) 5.708 1.873 ( 2.091 0.000 -0.249) 2.106 1.924 ( 1.071 0.000 1.537) 1.873 1.976 ( 1.662 0.000 -0.027) 1.662 2.140 ( -1.016 0.000 0.675) 1.220 2.167 ( -0.356 0.000 0.112) 0.373 2.203 ( -4.338 0.000 -1.651) 4.642 2.225 ( -4.145 0.000 -0.181) 4.149 2.397 ( -1.939 0.000 0.947) 2.158 2.476 ( -1.987 0.000 0.394) 2.025 2.541 ( -2.228 0.000 -3.233) 3.927 2.567 ( -1.322 0.000 -1.002) 1.659 2.604 ( -8.258 0.000 1.933) 8.481 2.682 ( -1.412 0.000 -0.522) 1.506 2.709 ( -0.738 0.000 0.510) 0.897 2.794 ( -1.144 0.000 -1.658) 2.015 2.858 ( -4.363 0.000 3.835) 5.809 2.860 ( -0.006 0.000 -1.489) 1.489 2.995 ( 2.846 0.000 -0.985) 3.011 3.124 ( 0.841 0.000 -1.365) 1.603 3.156 ( -1.162 0.000 0.746) 1.381 3.187 ( -1.482 0.000 1.215) 1.916 3.204 ( 2.183 0.000 1.583) 2.697 3.228 ( -0.527 0.000 2.110) 2.174 3.318 ( -1.316 0.000 -1.136) 1.738 3.385 ( -1.561 0.000 -1.268) 2.011 3.524 ( 3.951 0.000 -2.170) 4.508 3.525 ( 2.882 0.000 3.326) 4.401 3.636 ( -2.318 0.000 -1.587) 2.809 3.642 ( 2.870 0.000 0.297) 2.885 3.736 ( 3.005 0.000 2.427) 3.862 3.868 ( 0.136 0.000 -1.995) 1.999 3.945 ( -3.960 0.000 -2.931) 4.927 3.980 ( -0.363 0.000 4.076) 4.093 4.126 ( -3.963 0.000 1.901) 4.396 4.137 ( -0.408 0.000 -1.743) 1.791 4.187 ( 1.998 0.000 0.465) 2.051 4.305 ( 2.348 0.000 -0.397) 2.381 4.336 ( 3.487 0.000 2.504) 4.293 4.351 ( 1.725 0.000 5.755) 6.008 4.506 ( 1.915 0.000 -1.462) 2.409 4.600 ( 1.301 0.000 -0.585) 1.426 4.632 ( 3.838 0.000 -3.849) 5.436 4.787 ( 1.291 0.000 -0.710) 1.473 4.875 ( -1.927 0.000 -1.762) 2.611 4.889 ( -0.676 0.000 0.788) 1.038 5.183 ( 7.151 0.000 3.668) 8.037 5.258 ( 5.887 0.000 4.196) 7.229 5.368 ( 3.785 0.000 -1.514) 4.076 5.394 ( 1.833 0.000 -0.674) 1.953 5.455 ( 2.035 0.000 0.921) 2.234 5.553 ( 7.754 0.000 2.275) 8.081 6.499 ( 1.009 0.000 0.290) 1.050 6.520 ( 1.266 0.000 -0.804) 1.500 6.640 ( 1.068 0.000 0.543) 1.198 6.655 ( 1.328 0.000 -0.402) 1.388 6.883 ( 0.996 0.000 -0.436) 1.087 6.901 ( -0.073 0.000 1.199) 1.201 6.970 ( -0.105 0.000 -3.145) 3.147 7.011 ( -1.261 0.000 1.759) 2.164 8.284 ( -5.086 0.000 -3.054) 5.932 8.284 ( -2.920 0.000 0.166) 2.925 8.325 ( -4.931 0.000 0.773) 4.991 8.670 ( -12.494 0.000 7.714) 14.683 9.686 ( 2.489 0.000 -0.817) 2.619 9.733 ( 1.174 0.000 -0.138) 1.182 9.742 ( 0.587 0.000 -0.202) 0.621 9.754 ( 0.488 0.000 0.123) 0.503 10.039 ( -0.561 0.000 0.145) 0.579 10.047 ( -0.033 0.000 -0.187) 0.190 10.055 ( -0.161 0.000 0.540) 0.563 10.056 ( -0.347 0.000 -0.391) 0.523 12.899 ( 1.236 0.000 3.448) 3.663 12.945 ( 1.842 0.000 -0.159) 1.849 13.003 ( 1.821 0.000 -1.434) 2.318 13.092 ( 7.081 0.000 -3.945) 8.106 13.273 ( 4.919 0.000 1.072) 5.034 13.391 ( 4.729 0.000 -1.876) 5.087 13.697 ( 4.464 0.000 -7.453) 8.687 14.077 ( 0.870 0.000 0.204) 0.894 14.078 ( 1.880 0.000 -0.242) 1.896 14.218 ( 4.215 0.000 -0.688) 4.270 14.983 ( 1.913 0.000 -6.921) 7.181 15.177 ( -0.177 0.000 -0.551) 0.578 15.251 ( -2.816 0.000 -1.952) 3.426 15.386 ( 10.052 0.000 9.491) 13.825 15.520 ( 5.323 0.000 0.637) 5.361 15.708 ( 12.540 0.000 6.048) 13.922 17.062 ( -8.143 0.000 -5.426) 9.785 17.137 ( -1.939 0.000 1.234) 2.298 17.156 ( -1.317 0.000 0.081) 1.320 17.510 ( 0.107 0.000 4.608) 4.609 ======================= Grid point 66 (30/51) ======================= q-point: ( 0.00 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.485 ( 0.712 14.876 8.098) 16.952 0.572 ( 2.204 14.259 12.033) 18.787 0.676 ( -2.324 9.270 -7.613) 12.218 0.841 ( 0.769 10.685 -8.773) 13.847 0.895 ( -2.399 12.341 21.526) 24.928 1.085 ( 1.350 -0.093 0.789) 1.566 1.148 ( -1.480 0.399 0.628) 1.656 1.277 ( 1.466 -2.477 1.553) 3.270 1.328 ( -2.997 1.778 0.076) 3.486 1.385 ( -3.728 -5.181 2.334) 6.796 1.479 ( -0.336 -0.099 -4.515) 4.529 1.487 ( 3.437 -5.434 -1.650) 6.638 1.516 ( 0.436 -1.446 -1.278) 1.979 1.635 ( 3.433 -0.465 -10.171) 10.745 1.785 ( -1.709 -1.678 0.254) 2.408 1.822 ( 2.074 -0.541 -2.562) 3.340 1.894 ( 0.711 -2.010 0.305) 2.154 1.904 ( -0.571 -2.127 -0.694) 2.309 1.970 ( -1.382 -2.267 1.822) 3.220 2.005 ( 0.837 -7.319 -0.681) 7.398 2.026 ( 2.231 1.652 3.175) 4.217 2.099 ( -2.017 2.696 -2.941) 4.471 2.179 ( -0.397 -0.305 0.917) 1.044 2.201 ( 1.566 -1.198 -0.439) 2.020 2.379 ( 0.063 -2.316 1.863) 2.973 2.419 ( -1.055 0.267 -1.018) 1.491 2.516 ( -1.539 3.882 1.219) 4.350 2.547 ( 0.169 1.613 -1.105) 1.963 2.568 ( 1.519 -1.301 -0.180) 2.009 2.611 ( -1.632 -1.788 -3.502) 4.258 2.688 ( 0.419 -1.268 1.136) 1.753 2.730 ( -0.423 -2.137 -2.834) 3.575 2.889 ( -1.169 3.001 0.791) 3.316 2.901 ( 1.651 2.875 -0.439) 3.344 3.033 ( 3.553 -4.622 -0.228) 5.834 3.046 ( -3.319 -6.101 -0.428) 6.959 3.106 ( 0.829 -2.275 2.389) 3.402 3.145 ( -4.077 -4.683 2.046) 6.538 3.227 ( -0.405 3.275 0.006) 3.300 3.241 ( 2.440 2.762 0.232) 3.692 3.292 ( 0.641 2.795 3.567) 4.577 3.383 ( -0.620 3.528 -3.959) 5.339 3.519 ( -3.549 -0.860 0.475) 3.682 3.548 ( -0.754 -5.954 -0.746) 6.047 3.608 ( 0.281 -0.607 0.453) 0.808 3.652 ( 2.447 -1.248 -1.912) 3.347 3.817 ( -0.161 -0.763 2.893) 2.996 3.862 ( 5.440 -1.972 -0.385) 5.799 3.886 ( 0.895 -3.354 1.245) 3.688 3.898 ( -3.822 -1.443 -0.744) 4.153 4.157 ( -0.923 2.288 0.631) 2.546 4.167 ( 0.406 3.849 -0.231) 3.877 4.246 ( -1.552 1.799 2.260) 3.280 4.344 ( -0.852 7.481 -2.565) 7.954 4.360 ( 1.680 -1.616 8.524) 8.837 4.517 ( 1.072 2.023 -4.851) 5.364 4.583 ( 2.664 6.661 -3.459) 7.965 4.635 ( 0.682 0.323 -2.353) 2.471 4.706 ( 1.917 1.113 1.127) 2.487 4.808 ( -1.788 -0.527 -3.850) 4.277 4.854 ( -0.673 2.176 1.857) 2.939 4.890 ( 0.473 2.621 -0.726) 2.760 5.239 ( -0.671 -4.590 4.112) 6.199 5.283 ( -0.601 -6.422 1.453) 6.611 5.389 ( -0.454 0.029 -0.662) 0.804 5.409 ( 0.513 -0.091 -1.897) 1.967 5.514 ( 1.520 0.294 3.397) 3.733 5.565 ( -4.219 -3.081 0.748) 5.277 6.526 ( -0.055 1.403 0.426) 1.467 6.542 ( 0.132 1.116 -0.830) 1.397 6.643 ( -0.059 -1.005 0.617) 1.181 6.656 ( 0.037 -1.051 -0.422) 1.134 6.895 ( -0.169 0.819 -0.106) 0.843 6.902 ( 1.008 0.238 -0.789) 1.302 6.966 ( -2.037 -1.195 1.187) 2.643 6.987 ( 2.351 -1.391 -0.501) 2.777 8.250 ( 0.445 0.229 0.897) 1.028 8.270 ( -0.318 1.324 -0.709) 1.535 8.386 ( 13.041 -5.888 4.362) 14.958 8.435 ( -6.360 -3.164 -0.793) 7.147 9.661 ( -2.082 -2.628 2.588) 4.235 9.701 ( 0.926 -2.381 -1.108) 2.785 9.750 ( 0.068 -0.125 0.109) 0.180 9.751 ( -0.230 -0.170 0.027) 0.287 10.027 ( -0.156 -0.109 0.400) 0.443 10.033 ( 0.121 0.006 -0.106) 0.161 10.072 ( -0.376 1.662 0.879) 1.918 10.105 ( 0.522 1.648 -2.085) 2.709 12.902 ( -1.611 -1.138 2.735) 3.372 12.985 ( 1.557 0.289 0.015) 1.584 12.992 ( 1.184 -2.835 -1.998) 3.664 13.085 ( -0.075 -3.233 -5.380) 6.277 13.399 ( -0.781 2.993 4.436) 5.408 13.489 ( 0.935 4.811 -2.988) 5.740 13.670 ( -12.815 -9.547 8.534) 18.116 13.783 ( 6.495 -4.826 -2.241) 8.396 14.291 ( 2.725 14.109 5.507) 15.388 14.500 ( -1.919 15.246 -12.786) 19.990 14.991 ( -1.658 -2.899 0.685) 3.409 15.057 ( -10.634 -2.147 -3.541) 11.412 15.197 ( -1.902 2.951 2.051) 4.067 15.279 ( 0.237 6.256 -6.730) 9.192 15.611 ( -6.367 2.949 0.148) 7.018 15.641 ( -0.847 2.579 -1.834) 3.276 17.111 ( 1.416 -0.331 2.455) 2.853 17.165 ( -0.968 2.121 -1.941) 3.034 17.319 ( 16.653 -9.786 7.996) 20.905 17.412 ( -6.233 -4.740 -1.784) 8.032 ======================= Grid point 67 (31/51) ======================= q-point: ( 0.09 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.564 ( 5.161 4.582 8.686) 11.094 0.641 ( 5.709 4.768 -7.920) 10.865 0.797 ( 8.564 10.441 11.044) 17.445 0.897 ( 8.619 10.667 -8.218) 15.988 1.040 ( 2.698 5.345 17.379) 18.382 1.153 ( 4.001 0.341 -0.062) 4.016 1.169 ( 3.803 -1.992 -1.744) 4.634 1.236 ( -3.158 -0.269 -1.043) 3.337 1.289 ( 0.297 -0.472 -7.829) 7.849 1.355 ( 0.071 -3.098 4.930) 5.822 1.464 ( -1.491 -0.961 4.968) 5.275 1.535 ( 4.591 -1.787 -2.656) 5.596 1.584 ( 4.335 -3.132 -3.169) 6.217 1.661 ( 4.465 3.037 -6.508) 8.457 1.761 ( 0.712 -1.771 -1.824) 2.640 1.811 ( -2.211 -2.918 -0.155) 3.665 1.879 ( -0.888 0.394 -1.564) 1.841 1.892 ( -0.523 -2.013 -0.552) 2.152 1.979 ( 0.532 0.823 2.063) 2.284 2.038 ( 3.471 -3.041 0.147) 4.617 2.047 ( -0.625 2.388 -3.762) 4.499 2.129 ( 4.810 -0.878 2.211) 5.366 2.194 ( 2.426 -1.476 -0.012) 2.840 2.248 ( 2.879 1.801 -1.151) 3.586 2.388 ( -0.071 -3.232 0.216) 3.240 2.428 ( 3.050 1.747 0.611) 3.568 2.546 ( 2.348 1.670 1.153) 3.103 2.567 ( 2.691 -0.052 -1.359) 3.015 2.596 ( 1.522 -0.300 -0.027) 1.551 2.629 ( 3.229 -2.163 0.879) 3.985 2.708 ( 1.183 -2.941 -0.724) 3.252 2.758 ( 4.313 0.879 0.521) 4.432 2.861 ( -1.610 1.710 -0.153) 2.354 2.935 ( 2.243 0.771 -1.073) 2.603 3.003 ( 0.277 -3.677 -0.875) 3.790 3.081 ( -2.137 -0.947 2.466) 3.397 3.122 ( 2.903 -4.373 -0.800) 5.310 3.148 ( 1.367 -3.520 2.120) 4.330 3.234 ( 1.601 3.261 0.458) 3.661 3.273 ( 1.122 1.386 -1.086) 2.088 3.301 ( -0.679 2.852 -0.222) 2.940 3.393 ( 2.261 4.323 0.326) 4.890 3.454 ( -3.424 0.287 3.242) 4.724 3.516 ( -2.082 -4.164 1.036) 4.770 3.600 ( -0.908 -1.943 -0.039) 2.145 3.680 ( 0.498 -1.530 -2.554) 3.019 3.787 ( -3.655 1.229 -2.674) 4.692 3.826 ( -0.628 1.705 1.585) 2.411 3.908 ( 1.853 -2.840 0.565) 3.438 4.005 ( 4.944 -5.429 -0.695) 7.375 4.128 ( -2.067 2.940 0.600) 3.644 4.159 ( -0.992 1.793 -0.081) 2.050 4.212 ( -3.356 2.141 4.463) 5.980 4.310 ( -0.700 4.246 -2.470) 4.962 4.417 ( -0.638 -2.354 3.855) 4.561 4.449 ( -4.440 1.521 -3.411) 5.802 4.565 ( -2.900 3.797 -4.341) 6.455 4.590 ( -1.478 2.113 -1.820) 3.156 4.720 ( -3.049 3.420 -4.628) 6.513 4.786 ( 1.024 0.570 2.788) 3.024 4.806 ( -1.003 -1.263 -1.429) 2.155 4.924 ( 1.014 1.792 0.577) 2.139 5.170 ( -9.813 -4.598 4.168) 11.611 5.200 ( -5.550 -4.388 2.624) 7.546 5.356 ( -2.526 0.699 -0.260) 2.633 5.394 ( -1.111 -0.067 -1.079) 1.550 5.461 ( -3.965 0.944 0.199) 4.081 5.511 ( -3.561 1.054 3.319) 4.981 6.514 ( -1.354 1.138 0.404) 1.815 6.527 ( -1.028 1.230 -0.775) 1.781 6.633 ( -1.342 -1.002 0.625) 1.787 6.642 ( -1.057 -0.972 -0.460) 1.508 6.888 ( -0.462 0.670 -0.264) 0.855 6.921 ( 1.121 -0.665 -0.563) 1.420 6.926 ( -1.642 0.047 0.253) 1.662 7.020 ( 0.423 -2.371 -0.484) 2.456 8.283 ( 2.551 1.242 -0.536) 2.888 8.300 ( 3.543 1.363 0.221) 3.802 8.398 ( 3.877 -1.280 -4.257) 5.898 8.712 ( 13.784 -14.771 -2.119) 20.314 9.630 ( -2.069 -0.531 2.214) 3.076 9.701 ( -0.525 -1.969 -0.284) 2.057 9.741 ( -0.709 -0.013 0.067) 0.712 9.746 ( -0.471 -0.354 0.099) 0.598 10.032 ( 0.428 0.125 0.357) 0.571 10.042 ( 0.825 -0.048 -0.140) 0.838 10.070 ( -0.209 1.755 0.529) 1.845 10.097 ( -0.089 1.777 -1.086) 2.084 12.873 ( -2.298 0.461 2.677) 3.558 12.978 ( 0.232 0.115 -5.498) 5.505 13.001 ( -1.524 -2.361 -0.106) 2.812 13.035 ( -1.278 -0.639 -2.342) 2.744 13.355 ( -8.110 5.007 4.454) 10.521 13.377 ( -8.503 6.553 2.800) 11.094 13.509 ( -3.928 0.141 5.685) 6.912 13.851 ( 1.140 -9.629 -0.551) 9.712 14.277 ( -7.036 17.096 -5.260) 19.221 14.338 ( -2.840 13.264 5.221) 14.535 14.807 ( -4.079 -1.082 5.814) 7.184 15.147 ( 0.146 -7.645 2.350) 8.000 15.221 ( 1.840 -0.363 1.138) 2.194 15.306 ( 1.034 0.877 -1.750) 2.213 15.550 ( -4.190 1.292 4.053) 5.971 15.643 ( 0.295 3.918 4.986) 6.348 17.127 ( -1.069 0.561 -2.588) 2.856 17.158 ( 1.259 0.885 -0.044) 1.540 17.240 ( -3.681 -1.024 -5.826) 6.967 17.523 ( 3.094 -8.581 -0.830) 9.159 ======================= Grid point 68 (32/51) ======================= q-point: ( 0.18 0.20 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( 10.413 -3.526 -3.297) 11.477 0.810 ( 9.419 -1.270 2.023) 9.717 0.993 ( 4.967 5.052 -5.288) 8.841 1.024 ( 6.598 5.211 8.456) 11.925 1.127 ( -0.757 -6.823 7.817) 10.404 1.183 ( 1.394 3.392 -1.408) 3.928 1.233 ( 3.743 -2.589 -1.039) 4.668 1.263 ( 5.005 0.789 -6.441) 8.195 1.290 ( 3.378 -0.509 -4.232) 5.438 1.398 ( 0.909 1.476 4.740) 5.047 1.480 ( -0.621 -3.993 6.624) 7.759 1.594 ( -1.308 -0.855 0.952) 1.830 1.659 ( 9.068 -0.886 -3.923) 9.920 1.732 ( -0.158 -3.187 1.834) 3.680 1.784 ( 3.107 -0.988 -3.213) 4.577 1.814 ( 6.295 1.441 -2.414) 6.895 1.867 ( 2.489 4.241 -2.642) 5.582 1.894 ( 1.354 -1.393 -0.416) 1.986 1.998 ( 0.509 3.608 0.476) 3.674 2.023 ( 0.536 2.376 -2.722) 3.653 2.123 ( 3.832 -1.755 -0.395) 4.233 2.193 ( 1.845 1.350 1.996) 3.035 2.298 ( 6.506 -0.915 -1.518) 6.743 2.330 ( 5.674 4.535 1.015) 7.334 2.405 ( 2.235 -2.345 -0.509) 3.279 2.507 ( 4.199 1.253 -0.070) 4.383 2.577 ( 0.499 -2.351 1.297) 2.731 2.634 ( 2.983 2.435 -0.040) 3.851 2.666 ( 2.957 -1.859 1.484) 3.795 2.695 ( 4.322 -1.550 0.808) 4.662 2.724 ( 1.486 -1.160 0.034) 1.885 2.836 ( -0.733 0.691 0.444) 1.101 2.871 ( 5.190 -0.337 1.743) 5.485 2.993 ( 4.329 -1.089 -1.182) 4.618 3.033 ( 2.584 0.549 -0.515) 2.691 3.056 ( -0.955 -0.059 0.891) 1.307 3.154 ( 1.021 -0.285 -0.461) 1.156 3.171 ( 0.139 -3.078 -1.481) 3.419 3.274 ( 1.114 2.038 -0.343) 2.348 3.290 ( 1.000 3.109 -2.486) 4.105 3.301 ( 1.686 -0.032 1.809) 2.473 3.391 ( -2.731 1.381 2.545) 3.981 3.462 ( 1.560 2.324 1.463) 3.159 3.487 ( -1.750 -2.019 0.477) 2.714 3.591 ( -0.277 -3.473 1.609) 3.838 3.648 ( -1.472 2.789 -0.603) 3.211 3.699 ( -2.693 -0.098 -4.281) 5.058 3.828 ( -0.008 -0.846 0.226) 0.876 3.928 ( -0.691 -1.260 1.552) 2.116 4.036 ( -1.445 -0.203 -2.207) 2.646 4.112 ( -0.092 0.488 1.208) 1.306 4.141 ( -0.582 0.900 0.152) 1.083 4.181 ( -2.812 0.555 4.276) 5.148 4.253 ( -4.897 1.130 -4.243) 6.577 4.330 ( -1.110 -0.883 -0.963) 1.715 4.402 ( -4.763 -0.732 1.798) 5.143 4.487 ( -2.269 2.199 -2.791) 4.216 4.525 ( -1.653 -0.328 -2.564) 3.068 4.654 ( -1.526 4.622 -2.075) 5.291 4.754 ( -2.921 0.281 -0.538) 2.984 4.831 ( 0.565 -1.212 2.161) 2.541 4.928 ( -1.077 1.606 0.500) 1.997 5.009 ( -6.414 -2.735 1.520) 7.136 5.114 ( -4.780 -4.424 2.511) 6.980 5.291 ( -3.737 1.347 -0.030) 3.972 5.343 ( -3.787 0.540 -0.204) 3.831 5.395 ( -2.614 0.057 -1.138) 2.852 5.448 ( -4.028 1.253 2.021) 4.678 6.483 ( -1.890 0.946 0.454) 2.162 6.495 ( -1.635 1.230 -0.582) 2.127 6.600 ( -2.218 -1.004 0.578) 2.503 6.610 ( -1.852 -0.899 -0.495) 2.117 6.873 ( -0.932 0.420 -0.143) 1.032 6.900 ( -1.219 1.012 0.430) 1.642 6.937 ( 0.620 -1.501 -0.634) 1.744 7.009 ( -0.986 -1.754 -0.074) 2.013 8.354 ( 4.262 1.381 0.123) 4.481 8.386 ( 4.619 1.908 -0.041) 4.997 8.490 ( 6.883 -0.748 -4.224) 8.110 8.860 ( 2.981 -11.341 -0.545) 11.739 9.616 ( -0.159 0.435 0.437) 0.637 9.682 ( -1.263 -1.322 0.311) 1.854 9.726 ( -0.829 -0.051 0.048) 0.832 9.733 ( -0.814 -0.455 0.075) 0.936 10.047 ( 0.800 0.446 0.227) 0.944 10.063 ( 1.238 -0.103 -0.165) 1.254 10.073 ( 0.329 1.488 0.031) 1.525 10.096 ( 0.335 1.359 -0.176) 1.411 12.857 ( -1.035 1.350 2.095) 2.698 12.942 ( 0.076 1.422 -5.521) 5.702 12.954 ( -1.661 0.345 -1.783) 2.462 13.003 ( -2.045 -0.457 0.615) 2.184 13.224 ( -5.015 5.739 2.910) 8.159 13.275 ( -6.195 2.704 2.617) 7.248 13.481 ( -2.563 0.249 5.687) 6.243 13.844 ( -0.778 -10.530 -1.012) 10.607 14.166 ( -2.968 10.394 -1.558) 10.922 14.293 ( -4.442 11.245 4.569) 12.925 14.779 ( -3.221 -3.920 4.884) 7.042 15.076 ( -8.571 -12.882 -1.090) 15.511 15.202 ( -2.870 1.031 -0.721) 3.134 15.291 ( -0.431 0.757 0.808) 1.188 15.452 ( -7.387 3.176 1.752) 8.230 15.555 ( -10.948 2.347 -1.219) 11.263 17.156 ( 5.752 0.041 0.155) 5.754 17.184 ( 3.684 -1.142 -0.973) 3.978 17.256 ( 3.758 2.990 -0.315) 4.813 17.527 ( -0.181 -4.507 -2.840) 5.330 ======================= Grid point 69 (33/51) ======================= q-point: ( 0.27 0.20 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( 5.757 -4.704 -1.943) 7.684 0.960 ( 5.999 -3.827 -4.845) 8.608 1.027 ( 2.302 -1.098 -0.344) 2.573 1.110 ( -0.372 -4.511 4.176) 6.158 1.203 ( 1.859 0.816 -3.150) 3.747 1.209 ( 3.241 6.344 0.656) 7.154 1.286 ( 1.915 0.000 -2.352) 3.033 1.315 ( 4.620 2.156 -5.136) 7.237 1.352 ( 2.467 -1.990 0.606) 3.227 1.439 ( 1.159 0.393 6.919) 7.026 1.504 ( -0.586 -2.494 7.992) 8.392 1.579 ( -1.602 -2.059 1.747) 3.140 1.738 ( 1.939 -2.215 1.187) 3.174 1.771 ( 4.145 -4.135 -4.461) 7.361 1.846 ( 5.849 -0.088 -3.923) 7.043 1.904 ( 1.640 -0.324 -0.260) 1.691 1.946 ( 5.738 2.429 -1.666) 6.450 1.988 ( 5.969 6.835 -1.947) 9.281 2.030 ( 1.921 3.962 1.821) 4.765 2.050 ( 6.651 1.198 -2.034) 7.057 2.203 ( 4.648 -3.362 0.497) 5.758 2.252 ( 2.924 -0.474 1.584) 3.359 2.374 ( 0.343 2.139 -1.262) 2.507 2.391 ( 2.573 0.730 -1.635) 3.134 2.527 ( 5.397 -0.019 4.035) 6.739 2.570 ( 0.655 -2.441 -0.719) 2.628 2.603 ( 4.079 0.581 1.876) 4.527 2.681 ( 1.476 -0.416 -0.455) 1.600 2.724 ( 2.149 1.371 2.438) 3.527 2.726 ( 2.862 0.088 0.419) 2.894 2.828 ( 2.066 1.477 3.133) 4.033 2.857 ( 2.913 3.866 1.387) 5.036 2.975 ( 5.915 -1.145 -0.765) 6.074 3.039 ( 0.479 -1.733 1.421) 2.292 3.064 ( 0.634 0.437 -0.322) 0.835 3.085 ( -0.003 -1.479 -0.195) 1.492 3.142 ( 2.247 1.061 -3.416) 4.224 3.184 ( 0.846 -1.092 0.578) 1.498 3.263 ( -2.551 0.870 -0.015) 2.695 3.297 ( 1.064 2.626 -1.142) 3.055 3.340 ( 2.159 -0.658 -0.825) 2.403 3.381 ( 1.088 0.873 1.640) 2.153 3.455 ( -1.538 -1.282 0.128) 2.007 3.493 ( 0.580 1.991 0.067) 2.075 3.558 ( -2.134 0.790 -1.225) 2.584 3.592 ( -2.864 -1.144 -4.024) 5.070 3.710 ( 2.883 -3.063 2.766) 5.034 3.817 ( -1.553 -1.381 -1.120) 2.361 3.921 ( -0.657 1.450 0.329) 1.625 3.952 ( -3.631 1.338 -3.169) 5.001 4.069 ( -4.750 1.074 2.185) 5.338 4.133 ( -0.933 -0.422 0.809) 1.305 4.145 ( -1.821 0.385 -1.545) 2.419 4.169 ( 0.035 0.617 -0.425) 0.750 4.312 ( -3.764 0.694 -0.274) 3.837 4.352 ( 1.527 -1.472 -0.058) 2.122 4.461 ( 0.551 0.585 0.579) 0.991 4.483 ( -1.709 -0.522 -3.270) 3.726 4.620 ( -1.927 1.983 0.850) 2.893 4.675 ( -4.844 0.333 2.175) 5.320 4.845 ( -0.169 -0.962 1.509) 1.798 4.880 ( -2.961 0.349 0.040) 2.982 4.952 ( -0.739 -2.317 -1.019) 2.637 5.035 ( -4.608 -4.457 1.442) 6.571 5.214 ( -3.825 1.948 0.054) 4.293 5.253 ( -4.731 1.746 -0.164) 5.046 5.337 ( -2.580 -0.616 -1.381) 2.990 5.377 ( -4.250 0.567 1.559) 4.562 6.450 ( -1.674 0.802 0.680) 1.977 6.460 ( -1.465 1.039 -0.444) 1.850 6.556 ( -2.490 -0.835 0.495) 2.672 6.566 ( -2.158 -0.794 -0.535) 2.361 6.853 ( -0.913 0.618 -0.089) 1.106 6.880 ( -0.890 1.383 0.142) 1.651 6.938 ( -0.177 -1.564 -0.262) 1.595 6.989 ( -0.965 -1.344 0.001) 1.655 8.434 ( 3.160 1.300 1.168) 3.611 8.469 ( 3.811 1.682 -0.777) 4.237 8.595 ( 5.812 -0.592 -3.657) 6.892 8.866 ( -1.913 -6.773 1.527) 7.202 9.622 ( 0.689 0.186 -0.649) 0.965 9.660 ( -1.161 -0.724 0.538) 1.470 9.711 ( -0.669 -0.152 0.030) 0.687 9.717 ( -0.882 -0.284 0.131) 0.936 10.065 ( 0.885 0.741 0.078) 1.157 10.082 ( 0.604 0.995 0.182) 1.178 10.087 ( 1.225 0.014 -0.417) 1.294 10.107 ( 0.695 0.594 0.104) 0.920 12.842 ( -1.606 0.906 1.400) 2.315 12.911 ( -1.599 3.296 -1.940) 4.145 12.926 ( -0.098 -0.203 -1.704) 1.719 12.971 ( -1.197 -0.519 0.509) 1.400 13.168 ( -3.903 2.905 0.312) 4.875 13.173 ( -2.363 2.534 -0.006) 3.465 13.479 ( -1.403 -0.254 6.973) 7.117 13.821 ( -0.582 -10.230 -2.086) 10.457 14.118 ( -1.549 7.278 -0.343) 7.448 14.228 ( -4.053 10.109 2.448) 11.163 14.723 ( -4.941 -6.141 3.227) 8.516 14.837 ( -11.427 -10.340 -4.927) 16.179 15.139 ( -4.053 2.483 1.024) 4.862 15.244 ( -6.762 2.380 -1.314) 7.288 15.298 ( -5.697 1.632 0.259) 5.932 15.347 ( -6.934 0.374 -1.568) 7.119 17.250 ( 4.222 0.376 0.190) 4.243 17.307 ( 5.816 -0.489 1.760) 6.096 17.359 ( 5.803 1.154 1.925) 6.222 17.510 ( 0.678 -2.175 -3.641) 4.295 ======================= Grid point 70 (34/51) ======================= q-point: ( 0.36 0.20 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( 2.387 -2.574 -3.784) 5.162 1.003 ( 0.522 -1.097 -1.443) 1.886 1.077 ( 2.223 -3.257 -0.166) 3.947 1.112 ( -1.053 -4.160 3.186) 5.345 1.199 ( 0.571 1.343 -4.505) 4.735 1.247 ( 0.392 3.394 -0.529) 3.457 1.288 ( 0.182 2.625 -1.702) 3.134 1.332 ( -2.045 2.472 -1.491) 3.537 1.375 ( 3.559 2.105 -3.643) 5.511 1.510 ( -1.345 -0.751 -3.066) 3.432 1.550 ( 0.065 -1.198 8.217) 8.304 1.586 ( 2.308 -0.386 9.166) 9.460 1.817 ( 5.207 -2.432 -1.247) 5.880 1.857 ( 6.488 -3.693 -0.961) 7.527 1.900 ( 1.849 -0.579 -1.401) 2.391 1.955 ( 1.450 0.214 -1.089) 1.825 1.996 ( 4.637 2.222 -1.929) 5.492 2.084 ( 4.274 4.235 2.044) 6.354 2.145 ( 6.634 3.736 -3.868) 8.540 2.166 ( 3.830 0.835 1.923) 4.366 2.301 ( 3.794 -3.080 1.585) 5.137 2.319 ( 2.837 -2.683 0.011) 3.905 2.365 ( 0.062 -0.067 -0.545) 0.553 2.383 ( -1.666 0.146 -0.348) 1.708 2.564 ( -1.523 -5.413 3.304) 6.522 2.587 ( 0.767 -3.323 0.108) 3.412 2.689 ( 0.115 1.517 3.103) 3.456 2.748 ( 7.386 2.333 -1.474) 7.885 2.789 ( 2.527 1.986 2.785) 4.253 2.811 ( 2.863 2.895 2.125) 4.592 2.844 ( 0.057 2.151 2.429) 3.245 2.913 ( 0.683 2.955 0.427) 3.062 3.013 ( -2.584 0.058 -0.253) 2.597 3.030 ( -3.536 -0.819 0.397) 3.651 3.065 ( 0.091 1.936 2.016) 2.796 3.099 ( 4.229 -1.037 -1.244) 4.529 3.181 ( 0.263 -0.357 0.533) 0.693 3.201 ( 1.648 -0.531 -1.883) 2.558 3.236 ( -0.541 -0.634 -4.126) 4.209 3.321 ( 3.458 0.634 1.867) 3.981 3.390 ( 3.083 -1.302 -1.111) 3.526 3.415 ( 0.894 1.922 0.194) 2.129 3.425 ( -1.095 -1.399 0.180) 1.785 3.489 ( 1.081 2.161 -1.738) 2.977 3.506 ( -2.002 1.642 -2.198) 3.397 3.559 ( 0.761 -2.707 -0.273) 2.825 3.711 ( -5.834 0.639 -4.933) 7.667 3.765 ( 0.941 -1.951 0.437) 2.209 3.880 ( -0.504 0.928 -2.431) 2.651 3.949 ( 0.670 -0.331 2.261) 2.381 4.014 ( -2.205 0.679 1.831) 2.945 4.091 ( -1.452 -0.654 -1.031) 1.898 4.161 ( 1.955 0.574 -0.854) 2.210 4.173 ( -1.178 2.841 1.190) 3.298 4.245 ( -0.578 -1.299 -3.032) 3.349 4.365 ( -0.797 -2.162 0.643) 2.393 4.417 ( -2.244 1.140 -2.522) 3.563 4.508 ( 1.984 -1.374 3.154) 3.971 4.573 ( -3.017 1.514 0.282) 3.387 4.620 ( -1.661 1.239 3.608) 4.161 4.838 ( -0.868 -0.972 -0.753) 1.505 4.849 ( -0.410 -0.618 1.086) 1.315 4.928 ( -1.619 -2.304 -0.875) 2.949 4.948 ( -4.196 -3.055 0.339) 5.201 5.147 ( -2.778 2.146 -0.077) 3.511 5.168 ( -3.510 2.143 -0.187) 4.117 5.281 ( -2.158 -1.032 -1.142) 2.651 5.302 ( -3.956 -0.355 1.317) 4.184 6.427 ( -1.137 0.617 1.014) 1.644 6.436 ( -0.610 0.645 -0.438) 0.990 6.511 ( -2.185 -0.502 0.415) 2.280 6.523 ( -1.781 -0.582 -0.620) 1.974 6.838 ( -0.476 0.916 0.024) 1.033 6.866 ( -0.489 1.385 -0.238) 1.488 6.932 ( -0.289 -1.298 0.223) 1.348 6.972 ( -0.710 -1.124 -0.179) 1.342 8.488 ( 1.383 1.294 1.736) 2.570 8.526 ( 2.818 1.053 -1.931) 3.574 8.673 ( 4.028 -0.726 -2.525) 4.809 8.822 ( -3.400 -3.779 2.117) 5.507 9.632 ( 0.698 -0.101 -0.857) 1.110 9.644 ( -0.777 -0.338 0.567) 1.019 9.699 ( -0.626 -0.150 0.178) 0.668 9.703 ( -0.440 -0.109 0.027) 0.454 10.081 ( 0.729 0.860 -0.038) 1.128 10.095 ( 0.511 0.647 0.228) 0.855 10.106 ( 0.878 0.095 -0.366) 0.956 10.121 ( 0.582 -0.008 0.104) 0.591 12.817 ( -1.434 0.843 0.742) 1.821 12.862 ( -2.190 2.542 -0.667) 3.421 12.912 ( -0.848 -1.174 -0.353) 1.491 12.949 ( -1.507 -0.065 -0.042) 1.509 13.106 ( -2.169 2.608 2.740) 4.361 13.167 ( 2.057 1.874 -4.642) 5.412 13.507 ( -0.389 -0.559 7.612) 7.643 13.796 ( -0.239 -8.990 -3.697) 9.723 14.095 ( -0.737 5.400 0.053) 5.450 14.169 ( -2.495 8.895 -0.015) 9.238 14.606 ( -6.192 -8.593 -3.528) 11.164 14.650 ( -6.080 -6.206 2.289) 8.985 15.053 ( -4.869 3.429 1.273) 6.090 15.085 ( -6.067 4.498 -1.866) 7.779 15.221 ( -3.791 -1.350 1.436) 4.272 15.243 ( -3.247 -0.541 -1.269) 3.528 17.329 ( 3.241 1.165 1.146) 3.629 17.422 ( 4.976 -0.369 0.721) 5.042 17.465 ( 3.042 -0.439 1.819) 3.572 17.511 ( 1.471 -0.667 -3.301) 3.675 ======================= Grid point 71 (35/51) ======================= q-point: ( 0.45 0.20 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( -0.555 0.806 -0.056) 0.980 0.987 ( 1.522 0.824 -2.340) 2.910 1.104 ( 0.135 -2.494 -0.682) 2.589 1.120 ( 0.911 -3.612 0.668) 3.785 1.187 ( 0.118 0.714 -0.839) 1.108 1.232 ( -0.459 1.043 -1.606) 1.969 1.268 ( -1.867 2.673 -0.765) 3.349 1.301 ( -0.053 3.647 -0.671) 3.708 1.408 ( 0.989 1.521 -2.898) 3.419 1.434 ( -2.169 2.323 -3.547) 4.762 1.605 ( 0.470 -0.322 6.044) 6.071 1.657 ( 0.498 0.362 3.939) 3.987 1.915 ( 2.707 -1.018 0.456) 2.928 1.925 ( 1.903 -0.645 -0.025) 2.010 1.958 ( 2.363 -0.202 -2.491) 3.439 1.966 ( 2.586 -2.563 -0.131) 3.643 2.064 ( 0.931 1.460 1.301) 2.166 2.165 ( 0.481 -1.039 -1.516) 1.900 2.226 ( 6.604 0.743 2.787) 7.207 2.233 ( 1.180 2.304 -1.543) 3.013 2.289 ( -2.305 -0.546 -1.904) 3.039 2.321 ( -2.428 -0.037 2.037) 3.170 2.400 ( 1.767 -2.951 1.650) 3.815 2.422 ( 3.588 -1.736 -0.563) 4.026 2.557 ( -0.908 -4.751 3.591) 6.025 2.591 ( 0.032 -3.503 -0.958) 3.632 2.729 ( 1.931 1.053 4.722) 5.209 2.806 ( -1.810 0.555 1.592) 2.474 2.816 ( 0.056 1.121 -0.978) 1.488 2.852 ( -1.104 1.845 3.947) 4.494 2.889 ( 1.765 0.751 1.010) 2.168 2.916 ( 1.979 1.918 -0.779) 2.864 2.980 ( -1.826 -0.763 1.683) 2.598 2.991 ( 0.817 1.573 -0.948) 2.010 3.039 ( -3.299 0.043 -0.677) 3.368 3.079 ( -2.914 2.366 -1.892) 4.203 3.193 ( -0.468 1.512 1.627) 2.270 3.208 ( 2.193 0.191 -4.205) 4.746 3.277 ( 5.545 1.076 -0.919) 5.723 3.378 ( -0.485 0.892 0.530) 1.146 3.387 ( -0.849 -1.108 -0.444) 1.465 3.405 ( -1.258 0.107 1.099) 1.674 3.450 ( -0.045 1.833 -3.271) 3.750 3.469 ( 1.233 0.828 -2.719) 3.098 3.539 ( 0.756 -2.117 0.725) 2.362 3.582 ( -2.959 -0.072 -2.975) 4.197 3.612 ( 5.376 0.059 2.380) 5.879 3.767 ( -0.459 -1.919 -1.114) 2.266 3.876 ( 1.079 1.225 -0.314) 1.662 3.972 ( -0.252 -0.314 -0.290) 0.496 3.984 ( -0.590 -0.185 0.067) 0.622 4.017 ( -4.402 0.668 -3.815) 5.864 4.155 ( -0.113 0.927 1.630) 1.878 4.195 ( 1.696 0.451 -1.809) 2.520 4.261 ( 2.220 -1.966 -1.258) 3.221 4.313 ( -3.536 -3.016 -0.691) 4.698 4.403 ( 0.537 2.258 2.894) 3.710 4.502 ( -2.823 1.783 0.260) 3.349 4.582 ( 2.798 -1.777 2.431) 4.110 4.654 ( 1.960 0.325 2.394) 3.111 4.809 ( -1.964 -0.809 -1.632) 2.679 4.833 ( -2.386 0.060 -0.588) 2.458 4.867 ( -1.704 -1.132 2.292) 3.072 4.915 ( 0.018 -1.533 -1.218) 1.958 5.110 ( -0.860 1.919 -0.085) 2.105 5.118 ( -1.270 1.773 -0.339) 2.208 5.246 ( -2.005 -1.472 0.892) 2.643 5.249 ( -0.491 -1.092 -0.613) 1.345 6.416 ( -0.633 0.393 1.122) 1.347 6.433 ( 0.496 0.216 -0.513) 0.745 6.478 ( -1.406 -0.136 0.586) 1.530 6.494 ( -0.559 -0.323 -0.778) 1.012 6.835 ( 0.033 1.067 0.279) 1.103 6.856 ( -0.325 1.250 -0.636) 1.440 6.933 ( 0.105 -1.027 0.660) 1.225 6.959 ( -0.417 -0.990 -0.461) 1.169 8.511 ( -0.046 1.324 1.694) 2.151 8.560 ( 2.147 0.446 -2.923) 3.654 8.729 ( 2.856 -1.237 -1.010) 3.272 8.763 ( -3.699 -1.815 1.971) 4.568 9.634 ( -0.562 -0.131 0.464) 0.740 9.640 ( 0.550 -0.312 -0.715) 0.954 9.691 ( -0.278 0.034 0.359) 0.455 9.698 ( -0.075 -0.146 -0.161) 0.230 10.093 ( 0.423 0.731 0.009) 0.844 10.101 ( -0.031 0.560 -0.054) 0.564 10.119 ( 0.547 0.024 0.016) 0.548 10.128 ( 0.062 -0.150 -0.055) 0.172 12.800 ( -0.547 0.890 0.618) 1.214 12.825 ( -0.974 1.741 -0.709) 2.117 12.895 ( -0.856 -1.205 0.953) 1.758 12.919 ( -0.517 -0.216 -1.034) 1.176 13.101 ( -0.730 2.617 2.769) 3.879 13.182 ( 2.013 1.319 -4.782) 5.354 13.548 ( -0.329 -1.063 8.122) 8.197 13.765 ( -0.192 -6.892 -5.354) 8.729 14.088 ( -0.086 4.556 0.406) 4.575 14.130 ( -1.115 6.916 -1.458) 7.155 14.524 ( -0.663 -7.606 -0.261) 7.639 14.564 ( -3.476 -6.355 0.735) 7.281 14.983 ( -2.417 4.073 0.839) 4.810 14.998 ( -1.715 5.013 -1.013) 5.394 15.171 ( -1.847 -1.602 1.144) 2.699 15.195 ( -0.870 -1.103 -1.082) 1.773 17.388 ( 1.565 1.166 2.169) 2.918 17.486 ( -0.165 -0.058 -2.243) 2.249 17.501 ( 1.775 -1.016 1.369) 2.461 17.533 ( 1.607 -0.074 -1.086) 1.941 ======================= Grid point 72 (36/51) ======================= q-point: (-0.45 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( -1.570 0.389 0.409) 1.668 1.037 ( 3.705 1.286 -4.547) 6.004 1.090 ( -1.107 -2.156 1.383) 2.790 1.136 ( 0.321 -1.942 -2.559) 3.228 1.182 ( -1.631 -1.577 2.318) 3.243 1.208 ( -0.896 1.038 -0.646) 1.516 1.247 ( -0.305 1.714 0.510) 1.814 1.288 ( 0.328 1.804 -2.758) 3.312 1.364 ( -1.611 3.603 0.858) 4.039 1.433 ( 1.128 1.540 -1.115) 2.211 1.635 ( -0.881 0.557 4.406) 4.527 1.668 ( -0.207 1.342 0.989) 1.680 1.915 ( -2.007 -0.951 -0.053) 2.222 1.934 ( -0.062 1.068 0.335) 1.120 1.956 ( -2.728 -2.595 -1.518) 4.060 2.001 ( 0.106 -1.447 -2.509) 2.899 2.057 ( -2.955 0.641 2.003) 3.627 2.115 ( -3.594 1.781 -0.316) 4.023 2.244 ( 0.584 -0.753 1.062) 1.427 2.254 ( -2.969 0.312 -0.087) 2.986 2.278 ( 0.698 1.905 -1.496) 2.521 2.348 ( 3.400 -1.936 0.025) 3.912 2.399 ( -2.681 -3.803 1.325) 4.838 2.439 ( -2.268 -2.855 -1.353) 3.889 2.561 ( -0.642 -2.970 1.694) 3.479 2.604 ( 2.137 -4.804 0.004) 5.258 2.761 ( -0.304 2.469 3.383) 4.199 2.792 ( -0.755 1.107 -0.027) 1.340 2.816 ( -0.654 3.155 4.278) 5.356 2.882 ( -1.696 0.852 -0.493) 1.960 2.900 ( 0.600 0.665 0.866) 1.246 2.928 ( 2.089 0.850 0.059) 2.256 2.948 ( -1.505 0.421 1.856) 2.427 2.979 ( -0.388 1.247 1.053) 1.678 3.015 ( 0.689 -0.561 -3.134) 3.258 3.060 ( 1.773 0.509 -0.011) 1.844 3.157 ( -4.470 3.276 1.558) 5.757 3.229 ( 0.791 -0.443 -3.137) 3.265 3.327 ( -2.556 0.350 -2.492) 3.587 3.356 ( -0.287 1.669 2.034) 2.647 3.381 ( 1.720 1.733 -0.544) 2.501 3.405 ( 0.166 -0.108 0.875) 0.897 3.422 ( -0.060 0.604 -1.361) 1.490 3.453 ( 0.290 1.412 -3.115) 3.432 3.542 ( -0.543 -1.379 0.488) 1.560 3.556 ( 0.633 -1.463 0.286) 1.620 3.703 ( -4.985 -2.407 -4.582) 7.186 3.738 ( 3.550 -1.769 1.342) 4.187 3.883 ( -3.196 1.635 -1.088) 3.751 3.928 ( 2.874 2.238 2.432) 4.380 3.982 ( 1.143 -0.458 -0.801) 1.469 4.009 ( 2.521 -1.083 -1.988) 3.388 4.166 ( 0.212 0.123 0.843) 0.877 4.204 ( 0.439 0.146 -2.700) 2.740 4.249 ( -2.473 -1.496 0.020) 2.891 4.301 ( 1.860 -2.193 0.276) 2.889 4.445 ( 0.071 2.606 1.207) 2.873 4.467 ( 1.535 2.655 0.667) 3.138 4.626 ( -2.234 -2.045 1.328) 3.307 4.666 ( -0.198 -2.120 0.993) 2.350 4.782 ( 0.033 0.474 0.029) 0.476 4.809 ( 1.781 0.652 0.489) 1.959 4.876 ( 0.474 -0.658 1.924) 2.088 4.922 ( 1.483 -1.986 -1.937) 3.145 5.107 ( 0.748 1.330 -0.061) 1.527 5.121 ( 1.704 2.395 -0.389) 2.965 5.232 ( 0.367 -2.111 0.590) 2.223 5.264 ( 2.119 -0.791 -0.396) 2.296 6.415 ( -0.110 0.416 0.907) 1.004 6.445 ( 0.946 0.418 -1.189) 1.576 6.468 ( 0.170 -0.399 1.255) 1.328 6.495 ( 1.056 -0.262 -0.654) 1.269 6.841 ( 0.238 1.050 0.427) 1.158 6.848 ( 0.006 1.247 -0.631) 1.397 6.943 ( 0.462 -1.029 0.733) 1.345 6.951 ( 0.026 -0.952 -0.702) 1.183 8.508 ( -1.115 1.405 1.430) 2.294 8.577 ( 1.569 -0.123 -3.886) 4.193 8.698 ( -3.936 -0.424 1.813) 4.354 8.778 ( 2.157 -2.148 0.465) 3.080 9.626 ( -0.452 0.043 0.314) 0.552 9.646 ( 0.470 -0.490 -0.484) 0.834 9.692 ( 0.157 0.058 0.316) 0.358 9.699 ( 0.234 -0.160 -0.201) 0.347 10.094 ( -0.465 0.694 -0.137) 0.847 10.097 ( -0.032 0.609 0.163) 0.631 10.122 ( -0.539 -0.088 -0.203) 0.583 10.125 ( 0.010 -0.060 0.129) 0.143 12.805 ( 0.575 0.785 0.874) 1.308 12.817 ( 0.554 1.675 -0.748) 1.917 12.889 ( -0.070 -0.568 0.752) 0.945 12.935 ( 2.578 -0.610 -1.352) 2.974 13.093 ( -1.791 2.693 2.861) 4.318 13.183 ( 0.944 1.269 -4.402) 4.678 13.588 ( -0.808 -2.487 9.080) 9.449 13.725 ( -0.124 -5.118 -6.496) 8.270 14.098 ( 0.664 5.464 0.932) 5.583 14.107 ( -0.216 5.547 -1.238) 5.688 14.528 ( 0.004 -6.302 -0.499) 6.322 14.570 ( 4.769 -7.609 0.406) 8.989 14.977 ( 1.534 4.004 0.624) 4.333 15.006 ( 3.008 5.077 -0.948) 5.977 15.167 ( 0.684 -1.670 1.147) 2.138 15.197 ( 1.698 -1.037 -0.942) 2.201 17.413 ( -0.678 0.630 2.966) 3.107 17.448 ( -2.135 0.493 -2.125) 3.053 17.495 ( -2.600 -0.171 0.710) 2.701 17.552 ( 0.709 -0.931 -1.423) 1.842 ======================= Grid point 73 (37/51) ======================= q-point: (-0.36 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( -0.678 -2.824 -1.153) 3.125 0.987 ( -5.938 -0.110 -2.874) 6.597 1.076 ( -2.959 -4.174 3.606) 6.260 1.118 ( -0.662 -0.935 -1.425) 1.829 1.175 ( 1.412 -2.475 -0.376) 2.874 1.197 ( -0.628 -2.100 1.683) 2.764 1.249 ( -0.704 3.150 -0.063) 3.229 1.300 ( 1.308 2.557 -0.445) 2.907 1.363 ( 0.712 1.859 0.507) 2.054 1.449 ( 0.071 -0.754 2.162) 2.291 1.616 ( -2.803 0.751 2.627) 3.914 1.681 ( 1.035 2.631 0.130) 2.830 1.846 ( -4.754 -2.924 0.734) 5.630 1.862 ( -4.789 -2.171 -3.247) 6.180 1.922 ( -4.507 1.239 -2.679) 5.388 1.936 ( -0.816 0.160 -0.237) 0.864 1.976 ( -3.461 2.295 0.075) 4.153 2.057 ( -4.767 3.823 1.427) 6.275 2.141 ( -5.597 2.902 -1.449) 6.469 2.228 ( -5.477 1.278 -2.491) 6.151 2.296 ( 1.070 -2.334 0.188) 2.575 2.336 ( -5.105 -4.131 -0.055) 6.568 2.357 ( -2.283 -2.084 1.176) 3.308 2.389 ( 1.049 -0.180 -0.987) 1.452 2.549 ( -1.200 -2.014 1.082) 2.582 2.658 ( 2.879 -5.414 -1.428) 6.296 2.737 ( -4.194 3.601 -0.388) 5.541 2.779 ( -1.747 1.363 -3.066) 3.783 2.802 ( -3.654 1.673 2.868) 4.937 2.810 ( -1.096 1.590 2.419) 3.095 2.888 ( -1.440 0.543 -0.217) 1.554 2.948 ( -1.168 0.749 4.789) 4.986 2.976 ( -0.416 3.013 -1.158) 3.255 3.003 ( 2.305 1.060 0.490) 2.584 3.044 ( -4.975 2.316 1.812) 5.779 3.075 ( 2.265 -1.226 2.110) 3.329 3.108 ( 3.617 0.392 0.515) 3.675 3.197 ( -2.558 -1.233 -1.306) 3.125 3.268 ( -0.325 -1.946 -4.402) 4.824 3.348 ( -1.013 0.478 1.871) 2.180 3.369 ( -2.253 -0.646 -0.080) 2.345 3.422 ( 0.210 2.821 -1.983) 3.455 3.434 ( -1.105 -0.326 -0.152) 1.162 3.450 ( 1.211 2.269 0.698) 2.665 3.495 ( -4.039 -2.631 -1.938) 5.196 3.577 ( -0.807 -0.433 -2.530) 2.690 3.624 ( 5.044 0.402 2.376) 5.590 3.773 ( 0.137 -0.719 -0.736) 1.038 3.852 ( -0.284 -0.212 -0.201) 0.408 3.982 ( 1.100 -1.875 -0.662) 2.272 4.027 ( 2.661 1.611 2.337) 3.891 4.068 ( 4.025 -0.201 -0.883) 4.126 4.159 ( -1.493 0.211 -0.002) 1.508 4.191 ( -0.503 -0.190 0.399) 0.669 4.229 ( 1.875 1.041 -3.248) 3.892 4.315 ( -1.446 -0.639 2.109) 2.635 4.437 ( 0.822 0.708 -1.218) 1.631 4.546 ( 1.948 1.969 0.651) 2.845 4.585 ( 1.558 -1.799 -0.421) 2.417 4.666 ( 0.332 1.399 0.356) 1.481 4.806 ( 0.760 -1.571 2.006) 2.659 4.863 ( 2.608 -0.742 -0.194) 2.718 4.903 ( 1.243 -0.970 1.279) 2.030 4.951 ( 2.490 -3.129 -0.808) 4.080 5.144 ( 2.989 1.742 -0.019) 3.460 5.172 ( 3.527 2.905 -0.314) 4.580 5.263 ( 2.321 -2.320 0.246) 3.291 5.320 ( 3.514 -0.217 -0.120) 3.523 6.425 ( 0.682 0.756 0.598) 1.181 6.455 ( 1.015 0.984 -1.047) 1.759 6.499 ( 1.876 -1.013 1.011) 2.360 6.524 ( 2.103 -0.496 -0.444) 2.206 6.843 ( 0.281 1.110 -0.299) 1.184 6.857 ( 0.709 1.118 0.334) 1.366 6.948 ( 0.354 -1.175 -0.866) 1.502 6.961 ( 0.752 -1.111 0.621) 1.478 8.484 ( -2.200 1.416 1.148) 2.857 8.573 ( 0.681 -0.848 -5.017) 5.133 8.625 ( -4.498 0.798 1.554) 4.825 8.817 ( 0.734 -3.447 2.203) 4.156 9.621 ( -0.160 0.192 0.021) 0.251 9.653 ( 0.486 -0.707 -0.202) 0.881 9.700 ( 0.483 -0.041 0.096) 0.494 9.706 ( 0.547 -0.189 -0.064) 0.583 10.082 ( -0.629 0.921 -0.131) 1.123 10.093 ( -0.615 0.545 0.348) 0.893 10.105 ( -0.918 0.071 -0.312) 0.972 10.121 ( -0.525 0.041 0.100) 0.536 12.829 ( 1.020 0.496 1.323) 1.742 12.837 ( 1.857 1.707 -0.792) 2.644 12.908 ( 1.739 0.559 0.063) 1.828 12.984 ( 2.434 -0.381 -2.366) 3.415 13.077 ( -0.760 2.927 3.303) 4.478 13.179 ( 1.536 1.747 -3.576) 4.266 13.628 ( -0.921 -5.415 10.256) 11.635 13.686 ( 0.409 -4.301 -7.148) 8.353 14.105 ( 0.736 5.750 -0.866) 5.861 14.135 ( 2.339 8.740 2.073) 9.282 14.558 ( 3.151 -6.394 0.095) 7.129 14.697 ( 7.778 -8.164 -1.275) 11.348 15.050 ( 5.192 2.927 0.979) 6.041 15.093 ( 6.099 4.732 -1.898) 7.950 15.206 ( 2.395 -1.700 1.534) 3.313 15.251 ( 4.187 -0.444 -0.934) 4.313 17.366 ( -3.931 0.652 -1.257) 4.178 17.413 ( -3.150 -0.453 3.543) 4.762 17.421 ( -3.905 1.070 0.280) 4.058 17.535 ( -1.256 -1.590 -2.616) 3.309 ======================= Grid point 74 (38/51) ======================= q-point: (-0.27 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( -9.316 1.940 3.591) 10.171 0.874 ( -9.404 -6.373 1.332) 11.438 1.024 ( -1.203 -5.698 2.029) 6.167 1.086 ( -1.605 -1.428 -1.628) 2.696 1.187 ( -1.229 -3.637 1.637) 4.173 1.197 ( -1.697 -1.987 0.204) 2.621 1.234 ( 0.400 0.938 -0.715) 1.246 1.281 ( -3.467 3.640 0.362) 5.040 1.380 ( 0.229 -1.439 0.194) 1.470 1.466 ( 0.391 -1.984 1.344) 2.429 1.573 ( -2.790 -1.528 2.457) 4.020 1.680 ( -2.432 3.021 0.522) 3.914 1.743 ( -4.901 -5.026 -0.640) 7.049 1.774 ( -1.822 0.021 -2.965) 3.480 1.826 ( -1.594 2.700 -3.318) 4.565 1.904 ( -2.998 2.458 -0.770) 3.952 1.931 ( -6.686 3.906 -0.734) 7.778 1.949 ( 0.193 3.877 0.193) 3.887 2.044 ( -4.994 1.880 0.096) 5.338 2.052 ( -8.424 1.895 -1.622) 8.785 2.211 ( -5.434 -2.409 -0.111) 5.945 2.283 ( -3.122 -1.076 -1.299) 3.549 2.332 ( -1.723 -1.256 1.933) 2.878 2.391 ( -0.097 1.308 -1.562) 2.040 2.528 ( -2.625 -1.296 1.338) 3.219 2.617 ( -5.625 1.231 -2.125) 6.137 2.677 ( -2.847 -0.741 -1.901) 3.503 2.709 ( -0.601 -2.030 -1.078) 2.375 2.748 ( -3.793 1.942 0.689) 4.317 2.786 ( -1.412 4.093 -2.147) 4.833 2.839 ( -5.321 -1.602 1.747) 5.825 2.883 ( -3.506 2.436 1.811) 4.637 2.970 ( 0.462 0.016 -1.172) 1.260 3.010 ( -2.970 1.413 3.905) 5.106 3.036 ( -3.623 1.744 2.941) 4.982 3.075 ( 0.839 1.869 -2.669) 3.364 3.123 ( -0.383 -4.645 -1.621) 4.935 3.192 ( 0.869 -0.602 0.207) 1.077 3.249 ( -1.085 -2.770 -1.829) 3.492 3.291 ( -1.830 0.473 -0.044) 1.891 3.348 ( 0.265 -0.853 -0.226) 0.921 3.385 ( -1.783 0.512 1.244) 2.234 3.450 ( -0.348 3.613 1.026) 3.772 3.459 ( 2.475 1.351 0.414) 2.850 3.500 ( 2.169 -3.031 2.641) 4.568 3.570 ( 1.090 1.106 -1.845) 2.412 3.749 ( -1.614 -1.258 -1.477) 2.524 3.770 ( 6.422 -0.571 2.738) 7.005 3.854 ( 0.313 0.226 1.558) 1.605 3.985 ( 1.280 -0.146 -3.168) 3.420 4.091 ( 2.110 0.862 1.771) 2.886 4.136 ( -0.502 0.437 0.420) 0.787 4.152 ( 4.478 -0.621 -0.499) 4.548 4.178 ( 0.743 0.139 -2.563) 2.673 4.276 ( 1.472 0.651 0.114) 1.614 4.292 ( -0.812 0.819 3.821) 3.992 4.467 ( 2.914 0.324 -1.386) 3.243 4.528 ( -0.483 -0.270 -2.778) 2.833 4.663 ( 3.274 0.718 -1.275) 3.586 4.710 ( 3.385 1.291 -0.065) 3.624 4.826 ( 0.891 -0.735 1.566) 1.946 4.905 ( 2.117 -0.954 -0.968) 2.515 4.934 ( 1.589 -1.280 0.339) 2.068 5.015 ( 3.163 -3.501 2.579) 5.377 5.218 ( 4.286 1.816 -0.185) 4.659 5.253 ( 4.538 2.656 -0.025) 5.258 5.318 ( 2.883 -2.210 0.052) 3.633 5.392 ( 3.455 0.111 0.308) 3.470 6.449 ( 1.447 1.103 0.383) 1.859 6.475 ( 1.631 1.159 -0.969) 2.223 6.547 ( 2.263 -1.204 0.853) 2.702 6.567 ( 2.419 -0.815 -0.377) 2.580 6.853 ( 0.791 0.984 -0.096) 1.267 6.875 ( 0.930 0.954 0.311) 1.368 6.952 ( 0.625 -1.435 -1.140) 1.936 6.981 ( 0.785 -1.278 0.644) 1.633 8.433 ( -3.522 1.106 0.794) 3.776 8.532 ( -4.596 -0.401 0.570) 4.648 8.540 ( -1.951 0.594 -5.682) 6.037 8.824 ( -2.370 -4.878 4.395) 6.980 9.623 ( 0.579 0.153 -0.565) 0.824 9.663 ( 0.556 -1.154 0.242) 1.303 9.712 ( 0.733 -0.117 -0.037) 0.743 9.719 ( 0.745 -0.277 0.033) 0.796 10.069 ( -0.656 0.834 -0.211) 1.082 10.076 ( -1.229 0.213 0.420) 1.317 10.086 ( -0.723 0.741 -0.231) 1.061 10.108 ( -0.725 0.538 0.018) 0.903 12.852 ( 0.325 0.318 1.586) 1.650 12.875 ( 2.354 1.107 -0.915) 2.757 12.946 ( 1.735 1.438 -2.045) 3.043 12.986 ( 0.535 1.440 -0.732) 1.702 13.129 ( 3.862 2.335 1.349) 4.710 13.224 ( 4.952 3.072 -1.973) 6.152 13.656 ( 1.222 -4.537 -5.919) 7.557 13.680 ( -0.341 -8.952 9.196) 12.839 14.124 ( 1.652 7.073 -0.856) 7.313 14.225 ( 5.270 13.155 3.182) 14.524 14.656 ( 5.559 -6.805 4.595) 9.916 14.839 ( 7.552 -7.303 -3.458) 11.060 15.188 ( 6.842 1.848 0.891) 7.143 15.191 ( 5.240 3.296 -2.218) 6.576 15.282 ( 3.824 -1.402 2.627) 4.847 15.342 ( 5.755 0.745 -1.593) 6.017 17.275 ( -4.396 1.321 -1.333) 4.780 17.307 ( -5.739 0.689 0.795) 5.834 17.405 ( -1.400 -0.921 4.867) 5.147 17.467 ( -3.399 -2.498 -5.562) 6.981 ======================= Grid point 75 (39/51) ======================= q-point: (-0.18 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.601 ( -14.952 -4.441 2.704) 15.831 0.681 ( -9.728 4.188 15.325) 18.629 0.961 ( -5.729 -0.322 -4.568) 7.334 1.060 ( -4.287 5.492 1.985) 7.244 1.122 ( -5.019 1.145 -0.062) 5.149 1.155 ( -1.699 -3.535 0.640) 3.974 1.195 ( -3.513 -0.672 0.582) 3.623 1.233 ( -0.483 -2.752 -1.275) 3.072 1.371 ( -1.275 -3.855 1.571) 4.354 1.462 ( -1.286 1.938 -1.712) 2.887 1.526 ( -3.548 -4.540 2.246) 6.184 1.590 ( -6.671 -0.174 3.953) 7.756 1.666 ( -1.238 -6.588 -5.331) 8.564 1.739 ( -2.048 2.677 -2.168) 4.008 1.791 ( -3.146 -0.539 -1.872) 3.701 1.829 ( -0.997 4.196 -0.940) 4.414 1.833 ( -1.150 0.755 -2.514) 2.865 1.904 ( -1.783 0.489 -1.191) 2.199 1.948 ( -0.902 4.709 1.343) 4.979 2.008 ( -0.955 2.448 0.530) 2.680 2.120 ( -3.843 -2.028 0.061) 4.346 2.223 ( -1.778 2.267 -0.899) 3.018 2.270 ( -5.528 -2.171 0.830) 5.997 2.367 ( -3.099 4.406 -1.604) 5.621 2.403 ( -5.864 -2.040 -0.331) 6.218 2.541 ( -2.692 -1.326 -1.990) 3.600 2.595 ( -3.426 0.120 -0.389) 3.450 2.659 ( -4.478 -0.022 0.817) 4.552 2.699 ( -0.516 -3.026 -2.965) 4.268 2.720 ( -5.673 -1.702 1.138) 6.031 2.755 ( -1.542 3.370 -2.874) 4.690 2.835 ( -2.543 0.882 0.514) 2.740 2.933 ( -4.077 0.679 1.762) 4.493 2.946 ( -2.521 2.301 -1.349) 3.670 2.999 ( -1.609 1.386 1.279) 2.479 3.096 ( -0.342 -3.853 -0.948) 3.982 3.102 ( 1.176 1.333 1.480) 2.313 3.174 ( -0.018 -1.990 -1.460) 2.468 3.223 ( -1.975 0.779 0.932) 2.318 3.278 ( -1.474 0.603 0.617) 1.708 3.318 ( -3.494 -0.064 0.777) 3.580 3.424 ( 4.125 0.803 0.379) 4.220 3.439 ( -0.343 0.440 2.656) 2.714 3.521 ( 2.723 0.583 -0.663) 2.863 3.586 ( 3.857 -2.276 4.207) 6.144 3.590 ( 2.014 0.389 -1.388) 2.477 3.694 ( -2.390 -1.617 -2.781) 4.008 3.826 ( -0.143 -3.717 -0.907) 3.828 3.925 ( 2.296 2.243 4.001) 5.130 4.015 ( 3.194 0.710 -3.197) 4.574 4.120 ( 0.465 -0.407 0.969) 1.149 4.147 ( -0.628 -0.601 -0.004) 0.869 4.159 ( 1.400 -1.435 2.804) 3.447 4.254 ( -0.697 0.080 2.858) 2.943 4.287 ( 6.495 3.273 -2.889) 7.826 4.351 ( 2.372 3.147 4.011) 5.623 4.500 ( 1.430 0.569 -4.249) 4.519 4.548 ( 4.311 0.082 -2.270) 4.873 4.678 ( 0.883 3.442 -3.957) 5.318 4.766 ( 2.222 0.419 -0.910) 2.438 4.861 ( 1.042 -0.743 0.108) 1.284 4.930 ( 0.387 1.689 0.603) 1.835 5.004 ( 5.812 -2.356 1.106) 6.368 5.101 ( 3.568 -3.262 4.117) 6.350 5.303 ( 4.333 1.343 -0.694) 4.589 5.344 ( 4.393 1.776 0.101) 4.740 5.372 ( 2.403 -2.200 0.374) 3.279 5.458 ( 2.862 0.075 1.160) 3.089 6.483 ( 1.695 1.327 0.233) 2.165 6.505 ( 1.811 1.172 -0.913) 2.342 6.594 ( 1.934 -1.193 0.757) 2.395 6.611 ( 2.122 -1.072 -0.363) 2.405 6.871 ( 0.971 0.760 -0.039) 1.234 6.894 ( 0.598 0.661 0.448) 0.997 6.957 ( 0.588 -1.728 -1.674) 2.477 6.999 ( 0.494 -1.329 0.754) 1.606 8.356 ( -4.452 0.378 0.462) 4.492 8.427 ( -5.983 1.984 1.568) 6.495 8.445 ( -4.256 -1.466 -7.579) 8.815 8.763 ( -7.267 -5.943 6.322) 11.318 9.639 ( 1.573 -0.366 -1.107) 1.958 9.677 ( 0.412 -2.061 0.816) 2.255 9.727 ( 0.820 -0.095 -0.052) 0.827 9.734 ( 0.789 -0.344 0.038) 0.861 10.052 ( -0.922 0.268 -0.139) 0.970 10.054 ( -1.135 -0.098 0.356) 1.193 10.076 ( -0.183 1.612 -0.144) 1.628 10.096 ( -0.255 1.333 -0.218) 1.375 12.867 ( 0.427 0.276 1.628) 1.706 12.916 ( 2.008 0.330 -0.285) 2.055 12.948 ( 1.652 0.568 -3.935) 4.305 13.026 ( 3.024 0.896 -1.008) 3.311 13.226 ( 4.895 4.132 1.371) 6.551 13.336 ( 6.904 4.624 -2.076) 8.565 13.654 ( 2.775 -3.325 -7.618) 8.763 13.732 ( -0.499 -13.105 10.044) 16.519 14.158 ( 2.230 8.654 -0.677) 8.963 14.369 ( 7.595 14.803 -0.501) 16.645 14.836 ( 7.029 -8.578 6.558) 12.884 14.970 ( 8.453 -4.572 2.840) 10.021 15.231 ( 1.950 4.693 -2.297) 5.577 15.307 ( 0.596 -0.010 -0.995) 1.160 15.398 ( 8.465 1.873 5.534) 10.286 15.480 ( 8.198 0.926 1.422) 8.372 17.174 ( -4.577 0.155 -1.169) 4.727 17.227 ( -2.892 1.959 0.721) 3.567 17.316 ( -7.559 -3.040 -10.077) 12.959 17.428 ( 0.524 -2.617 5.331) 5.962 ======================= Grid point 76 (40/51) ======================= q-point: (-0.09 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.393 ( -5.250 7.617 8.256) 12.399 0.619 ( -8.033 8.392 17.103) 20.675 0.798 ( -6.000 4.259 -6.375) 9.736 0.908 ( -10.470 15.639 10.241) 21.427 0.982 ( -7.048 9.383 -4.591) 12.601 1.106 ( -3.579 -2.861 1.429) 4.799 1.198 ( -1.826 -1.650 -0.116) 2.464 1.219 ( 2.524 -4.499 -0.241) 5.164 1.362 ( -0.968 -4.046 3.378) 5.359 1.405 ( -1.749 1.568 -0.493) 2.400 1.463 ( -2.705 -1.150 0.829) 3.054 1.532 ( -1.697 -4.128 1.975) 4.880 1.588 ( -3.790 -2.926 -7.809) 9.160 1.649 ( -0.558 -1.589 -5.151) 5.419 1.787 ( 2.181 1.178 -2.382) 3.438 1.810 ( -0.737 -2.179 -0.559) 2.368 1.862 ( 2.759 -0.159 -0.513) 2.811 1.896 ( 0.871 0.608 -1.259) 1.647 1.966 ( 1.613 4.019 1.865) 4.716 1.995 ( -0.863 -1.790 1.182) 2.312 2.039 ( -3.968 -5.347 0.004) 6.658 2.166 ( -3.585 0.901 -0.622) 3.749 2.197 ( -1.936 -1.253 0.002) 2.306 2.237 ( -4.909 2.251 -0.089) 5.401 2.376 ( -0.475 -3.503 0.773) 3.619 2.468 ( -3.012 1.647 -2.339) 4.154 2.543 ( -1.135 -0.129 -0.232) 1.166 2.581 ( -3.329 1.116 -1.069) 3.670 2.614 ( -4.485 0.251 0.258) 4.500 2.671 ( -1.733 -1.711 -2.850) 3.748 2.703 ( -2.164 -1.667 -0.185) 2.738 2.782 ( -2.981 0.280 -1.191) 3.222 2.878 ( -0.005 2.747 -1.563) 3.161 2.906 ( -1.378 2.018 1.338) 2.786 2.996 ( 1.033 -0.816 -1.176) 1.765 3.077 ( -1.103 -3.299 1.247) 3.695 3.128 ( -1.565 -3.482 1.112) 3.976 3.177 ( 0.590 -3.005 0.183) 3.067 3.213 ( -0.441 1.184 3.431) 3.656 3.241 ( -1.617 1.263 -0.042) 2.053 3.268 ( -1.175 1.513 1.447) 2.400 3.417 ( -0.516 2.333 -1.672) 2.916 3.532 ( 3.029 1.089 -0.082) 3.220 3.550 ( 1.400 -3.769 -1.273) 4.218 3.610 ( -0.401 -0.906 -2.664) 2.842 3.638 ( -0.356 -2.035 0.294) 2.087 3.707 ( 5.663 0.506 4.123) 7.023 3.811 ( -0.595 -2.890 0.220) 2.959 3.917 ( -3.079 -2.090 0.955) 3.843 4.001 ( -3.631 -1.441 -1.718) 4.267 4.144 ( 1.989 2.428 -0.478) 3.175 4.156 ( 0.780 1.010 -0.076) 1.278 4.241 ( 1.873 1.180 4.297) 4.834 4.262 ( 1.146 0.437 6.028) 6.152 4.356 ( 1.318 4.845 -1.445) 5.225 4.465 ( 6.330 5.035 0.990) 8.149 4.518 ( 2.586 0.989 -0.636) 2.841 4.592 ( 2.616 0.604 -5.476) 6.099 4.705 ( 2.613 5.660 -2.855) 6.857 4.795 ( 2.286 0.758 -0.314) 2.429 4.854 ( -0.793 -0.905 -2.236) 2.539 4.924 ( -1.574 2.666 0.885) 3.220 5.154 ( 6.350 -3.031 3.435) 7.830 5.210 ( 4.909 -4.500 3.433) 7.492 5.372 ( 2.899 0.433 -1.234) 3.180 5.397 ( 1.551 -0.268 -1.349) 2.074 5.439 ( 3.466 -0.308 1.884) 3.957 5.532 ( 3.710 -1.741 2.792) 4.959 6.513 ( 1.094 1.451 0.189) 1.828 6.532 ( 1.280 1.119 -0.801) 1.880 6.629 ( 1.081 -1.085 0.653) 1.665 6.644 ( 1.326 -1.146 -0.333) 1.784 6.888 ( 0.857 0.562 -0.312) 1.071 6.900 ( -0.315 0.253 0.536) 0.671 6.954 ( 0.396 -1.172 -1.551) 1.984 7.002 ( -0.853 -1.184 0.844) 1.686 8.273 ( -3.615 -0.104 -0.260) 3.626 8.305 ( -4.802 0.280 -1.406) 5.012 8.330 ( -4.180 1.515 1.135) 4.589 8.611 ( -11.001 -5.602 5.106) 13.360 9.666 ( 1.025 -1.633 0.041) 1.928 9.687 ( 0.370 -2.882 0.318) 2.923 9.742 ( 0.611 -0.044 0.015) 0.612 9.748 ( 0.495 -0.362 -0.005) 0.613 10.034 ( -0.801 -0.081 0.366) 0.884 10.038 ( -0.531 -0.058 -0.055) 0.537 10.074 ( -0.203 1.684 0.403) 1.744 10.099 ( 0.896 1.791 -1.288) 2.381 12.893 ( 0.746 -0.419 2.297) 2.451 12.948 ( 1.172 -0.723 1.365) 1.939 12.974 ( 3.050 -0.669 -4.997) 5.892 13.078 ( 3.073 -2.308 -3.132) 4.958 13.333 ( 4.226 5.368 3.329) 7.600 13.445 ( 5.068 5.010 -2.923) 7.703 13.682 ( 4.909 -1.682 -6.633) 8.422 13.763 ( -2.778 -14.417 8.296) 16.864 14.208 ( 2.968 11.050 0.958) 11.482 14.489 ( 6.190 11.720 -6.561) 14.790 14.919 ( 3.123 -4.977 -3.864) 7.032 15.161 ( 2.106 -6.976 1.704) 7.484 15.260 ( -2.884 1.268 1.816) 3.636 15.305 ( 5.897 0.782 -4.022) 7.181 15.600 ( 5.619 4.015 0.251) 6.910 15.722 ( 11.149 0.278 6.151) 12.736 17.062 ( -6.206 0.084 -2.916) 6.858 17.110 ( -2.122 -1.577 0.784) 2.758 17.198 ( -1.376 3.234 0.281) 3.526 17.467 ( -0.307 -4.265 3.430) 5.482 ======================= Grid point 77 (41/51) ======================= q-point: ( 0.00 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( -4.019 12.588 8.733) 15.839 0.838 ( 5.621 12.852 5.546) 15.084 0.878 ( -2.005 10.689 -2.347) 11.126 0.971 ( -3.432 -3.435 6.418) 8.048 1.030 ( -0.034 -1.190 -2.774) 3.018 1.088 ( 2.285 -4.116 -2.038) 5.130 1.137 ( 0.957 0.259 0.304) 1.037 1.276 ( 4.184 1.133 2.819) 5.171 1.299 ( 1.673 1.557 -0.696) 2.389 1.358 ( -2.975 1.718 -2.852) 4.465 1.377 ( -5.252 1.915 0.294) 5.598 1.490 ( 0.032 -4.537 -0.039) 4.537 1.579 ( 1.466 6.490 1.444) 6.808 1.625 ( 1.535 0.722 -2.734) 3.218 1.733 ( -1.578 -4.278 4.034) 6.088 1.772 ( -0.552 -7.573 0.641) 7.620 1.835 ( 1.488 -1.500 0.091) 2.115 1.848 ( -0.634 -1.436 -0.237) 1.587 1.868 ( -1.376 -3.029 0.062) 3.328 1.885 ( 2.553 -4.300 -0.162) 5.004 2.101 ( 1.456 2.243 0.722) 2.770 2.144 ( 2.200 -3.166 0.526) 3.891 2.153 ( -1.329 1.738 -3.299) 3.958 2.170 ( -1.835 -0.604 -1.989) 2.773 2.388 ( 1.647 3.271 -0.612) 3.713 2.431 ( -0.722 0.317 -3.367) 3.458 2.494 ( -0.152 -2.416 -2.375) 3.391 2.518 ( 0.347 -3.656 -3.585) 5.132 2.600 ( 0.302 2.231 0.219) 2.262 2.615 ( -0.949 1.020 -1.135) 1.797 2.720 ( 0.303 2.769 0.085) 2.787 2.729 ( -0.493 1.941 -1.039) 2.256 2.892 ( -0.274 -1.259 0.371) 1.341 2.917 ( -1.301 -4.192 -1.474) 4.630 2.939 ( 0.154 -0.829 -0.279) 0.888 2.958 ( -0.217 -3.015 -1.574) 3.408 3.079 ( 0.113 -0.838 2.673) 2.804 3.080 ( -1.020 -1.126 2.751) 3.143 3.269 ( -0.186 1.682 0.468) 1.755 3.288 ( 0.255 0.466 -1.375) 1.474 3.363 ( -0.044 4.236 7.006) 8.187 3.423 ( 0.267 -0.810 4.894) 4.968 3.500 ( -0.661 2.640 -0.825) 2.844 3.517 ( -0.716 0.306 -2.595) 2.709 3.569 ( 0.003 -2.901 -3.236) 4.346 3.598 ( 2.190 -4.108 -3.676) 5.932 3.809 ( 1.759 0.167 2.399) 2.979 3.825 ( 3.769 -1.451 1.376) 4.267 3.849 ( -1.542 -0.298 -0.076) 1.572 3.868 ( -3.074 -1.709 -1.074) 3.677 4.182 ( 0.509 0.896 -2.051) 2.295 4.197 ( 0.044 -0.332 -3.107) 3.125 4.296 ( -1.581 3.252 8.602) 9.331 4.339 ( 0.024 -1.173 10.722) 10.786 4.495 ( -2.093 5.554 2.122) 6.303 4.544 ( -0.750 -0.100 -2.234) 2.359 4.626 ( 3.773 1.134 -2.010) 4.422 4.655 ( 3.728 0.427 -6.783) 7.752 4.750 ( -0.519 2.500 -4.354) 5.047 4.788 ( -0.542 -1.542 -4.455) 4.746 4.918 ( -0.949 3.846 0.955) 4.075 4.941 ( -0.709 1.878 -0.814) 2.166 5.149 ( -1.021 -3.555 3.552) 5.128 5.165 ( -1.131 -5.009 2.684) 5.795 5.392 ( -0.121 0.325 -0.470) 0.584 5.401 ( 0.319 -0.587 -1.085) 1.274 5.521 ( 1.180 0.441 2.395) 2.707 5.532 ( -0.752 -0.856 2.040) 2.336 6.556 ( -0.119 1.471 -0.180) 1.486 6.564 ( 0.124 0.859 -0.884) 1.239 6.623 ( -0.006 -0.751 0.756) 1.066 6.631 ( 0.102 -1.334 0.036) 1.339 6.910 ( 0.128 0.660 -0.130) 0.684 6.916 ( 0.116 0.796 -0.524) 0.960 6.943 ( -0.395 -0.507 0.611) 0.887 6.961 ( 0.276 -1.484 -0.698) 1.663 8.264 ( 1.400 1.238 1.933) 2.689 8.293 ( 2.157 -0.773 1.453) 2.713 8.319 ( 0.940 0.435 0.646) 1.221 8.369 ( -3.214 -3.464 -1.693) 5.019 9.642 ( -0.593 0.249 0.922) 1.124 9.661 ( 0.488 -1.670 -0.626) 1.849 9.746 ( -0.064 -0.119 0.089) 0.162 9.747 ( -0.040 -0.193 0.011) 0.197 10.030 ( -0.061 0.279 0.338) 0.442 10.034 ( 0.051 -0.068 0.076) 0.114 10.100 ( -0.140 1.192 0.269) 1.230 10.115 ( 0.237 -0.330 -0.935) 1.019 12.901 ( -0.579 0.917 1.595) 1.929 12.935 ( 0.200 -2.603 0.979) 2.789 12.996 ( 1.490 0.958 -3.920) 4.302 13.028 ( 0.872 -2.498 -4.249) 5.005 13.465 ( -2.495 3.767 6.134) 7.619 13.534 ( -3.822 -3.119 6.503) 8.162 13.609 ( 0.146 4.262 -2.872) 5.142 13.699 ( 3.035 -4.517 -4.613) 7.134 14.519 ( 1.492 9.327 5.185) 10.775 14.621 ( 1.206 -0.639 -1.707) 2.186 14.947 ( 2.114 -0.272 -2.767) 3.492 14.989 ( -3.332 -3.920 -4.858) 7.076 15.285 ( -1.871 5.088 2.247) 5.868 15.344 ( 0.532 -0.287 -2.869) 2.932 15.665 ( -6.401 2.132 -2.779) 7.297 15.678 ( -1.589 0.838 -2.851) 3.370 17.118 ( 3.646 1.265 4.663) 6.053 17.168 ( 7.378 -4.031 5.846) 10.240 17.231 ( -1.325 2.912 -1.044) 3.366 17.313 ( -4.358 -5.236 -3.201) 7.527 ======================= Grid point 78 (42/51) ======================= q-point: ( 0.09 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.726 ( -1.640 11.378 5.086) 12.570 0.818 ( -0.605 11.698 -2.183) 11.915 0.942 ( -2.271 -9.034 5.971) 11.064 0.988 ( 3.189 8.931 10.268) 13.978 1.018 ( 0.088 -5.153 -4.580) 6.895 1.147 ( 4.456 1.177 -3.290) 5.663 1.177 ( 2.025 -2.356 1.845) 3.613 1.235 ( -1.780 -1.432 -4.631) 5.164 1.308 ( 1.594 2.759 -4.153) 5.234 1.355 ( 1.840 4.776 3.840) 6.399 1.419 ( 5.790 -5.084 -1.456) 7.841 1.463 ( -2.605 -0.922 2.986) 4.069 1.614 ( 1.629 2.748 -1.444) 3.506 1.691 ( -1.043 -5.304 2.079) 5.791 1.699 ( 3.019 3.515 1.309) 4.814 1.809 ( 3.410 -3.320 -1.081) 4.881 1.833 ( 0.525 1.223 -0.960) 1.641 1.878 ( 2.460 -0.246 -1.188) 2.743 1.935 ( 5.494 -2.318 0.260) 5.968 1.966 ( 3.740 -4.153 -1.828) 5.880 2.131 ( 2.490 4.443 -2.965) 5.893 2.165 ( 5.454 2.094 -0.551) 5.868 2.184 ( 3.396 0.294 0.913) 3.528 2.241 ( 6.268 -2.665 1.474) 6.968 2.382 ( -0.782 3.138 -1.602) 3.609 2.447 ( 3.074 -0.445 -1.667) 3.525 2.500 ( 1.437 -3.092 -1.484) 3.719 2.529 ( 2.650 -3.276 -2.331) 4.815 2.606 ( 0.825 1.060 0.360) 1.391 2.625 ( 2.040 0.384 0.450) 2.124 2.701 ( 0.510 1.590 -0.657) 1.794 2.750 ( -0.006 -2.789 0.603) 2.853 2.869 ( -0.809 1.126 0.767) 1.585 2.928 ( 2.156 -2.773 0.222) 3.519 2.952 ( 2.587 0.872 0.446) 2.767 3.017 ( 3.180 -4.536 -0.844) 5.603 3.095 ( 1.831 1.511 2.010) 3.111 3.118 ( 2.025 -1.009 1.666) 2.809 3.283 ( 1.348 1.347 0.289) 1.928 3.291 ( 0.924 0.282 -1.293) 1.614 3.377 ( -1.557 4.332 2.867) 5.423 3.437 ( -2.785 -1.711 5.964) 6.801 3.488 ( -0.724 1.478 -1.267) 2.077 3.499 ( 1.471 5.609 -1.017) 5.887 3.533 ( -1.306 -3.516 -2.076) 4.287 3.624 ( 1.850 -5.169 -4.009) 6.798 3.805 ( -1.454 0.867 -1.978) 2.604 3.827 ( -0.443 -1.489 -1.679) 2.288 3.875 ( 2.583 0.599 2.226) 3.462 3.915 ( 4.163 -3.584 1.123) 5.607 4.158 ( -1.941 0.873 -0.975) 2.341 4.172 ( -0.879 -0.464 -1.594) 1.879 4.292 ( -4.070 5.062 9.111) 11.189 4.370 ( -2.773 -3.065 8.590) 9.533 4.409 ( -5.056 5.014 -4.020) 8.177 4.462 ( -5.092 -0.657 -5.736) 7.698 4.605 ( -2.876 0.779 -2.259) 3.739 4.616 ( -4.054 0.337 -2.676) 4.870 4.762 ( 1.535 0.930 -2.010) 2.695 4.777 ( 1.833 -0.530 -3.282) 3.796 4.862 ( -3.646 5.436 1.225) 6.659 4.937 ( -0.929 -1.264 1.158) 1.950 5.093 ( -6.268 -2.287 3.092) 7.354 5.113 ( -4.731 -3.913 2.626) 6.678 5.371 ( -1.825 0.881 -0.204) 2.036 5.386 ( -1.236 -0.670 -0.759) 1.597 5.489 ( -3.294 1.736 -0.084) 3.724 5.514 ( -2.757 -0.728 1.276) 3.124 6.540 ( -1.388 1.367 0.017) 1.948 6.549 ( -1.080 0.678 -0.593) 1.406 6.614 ( -1.324 -0.676 0.507) 1.570 6.620 ( -1.066 -1.151 -0.195) 1.581 6.901 ( -0.743 0.522 -0.261) 0.945 6.910 ( -0.250 -0.500 -0.206) 0.596 6.936 ( -0.238 1.285 0.004) 1.307 6.972 ( 0.341 -2.423 -0.055) 2.447 8.313 ( 3.092 1.851 -1.881) 4.066 8.334 ( 3.746 1.054 -0.600) 3.937 8.380 ( 5.435 1.071 -0.796) 5.597 8.482 ( 9.233 -8.949 2.770) 13.153 9.635 ( -0.570 0.920 0.600) 1.238 9.662 ( -0.150 -1.895 -0.369) 1.936 9.739 ( -0.625 -0.066 0.083) 0.634 9.741 ( -0.581 -0.212 0.058) 0.621 10.038 ( 0.599 0.325 0.251) 0.726 10.042 ( 0.716 -0.100 -0.002) 0.723 10.099 ( -0.084 1.203 0.203) 1.223 10.112 ( 0.020 -0.103 -0.661) 0.669 12.896 ( -0.809 1.841 1.874) 2.749 12.940 ( -0.213 -2.770 0.699) 2.865 12.988 ( 0.231 0.649 -4.686) 4.736 13.012 ( 0.362 -1.579 -4.166) 4.470 13.419 ( -5.812 3.001 6.096) 8.941 13.459 ( -8.312 -0.591 8.399) 11.832 13.564 ( -1.560 6.660 -3.715) 7.784 13.697 ( -0.377 -7.285 -3.447) 8.068 14.518 ( -4.120 8.154 1.188) 9.213 14.563 ( -4.416 6.318 -4.820) 9.091 14.803 ( -7.623 3.022 1.518) 8.340 14.952 ( -3.752 -10.598 -0.566) 11.257 15.264 ( -1.362 3.690 2.375) 4.595 15.320 ( -1.778 -1.268 -0.545) 2.251 15.600 ( -2.836 4.020 4.064) 6.381 15.664 ( -1.159 -1.707 3.633) 4.178 17.142 ( -1.445 1.067 -4.186) 4.555 17.163 ( -1.726 -0.771 -4.610) 4.983 17.253 ( 3.042 3.305 1.344) 4.688 17.360 ( 4.790 -7.729 2.752) 9.500 ======================= Grid point 79 (43/51) ======================= q-point: ( 0.18 0.40 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( 4.771 5.875 -4.818) 8.972 0.852 ( 2.106 3.370 0.501) 4.006 0.944 ( 0.960 -8.155 0.958) 8.267 0.991 ( 0.569 -5.235 2.324) 5.756 1.135 ( 3.600 5.465 13.910) 15.372 1.207 ( 3.482 0.159 -1.781) 3.914 1.232 ( 3.060 -0.110 -5.595) 6.378 1.241 ( 2.626 -2.449 4.169) 5.502 1.341 ( 5.060 5.187 -10.989) 13.163 1.408 ( 1.974 -0.177 1.439) 2.449 1.444 ( -1.127 0.002 3.517) 3.693 1.506 ( 4.147 -6.750 -4.971) 9.353 1.641 ( 1.639 0.050 0.627) 1.756 1.675 ( -0.622 -3.014 3.079) 4.353 1.786 ( 3.561 2.524 0.241) 4.371 1.848 ( 1.649 -2.807 0.736) 3.337 1.899 ( 6.140 5.191 -2.109) 8.312 1.942 ( 5.106 2.851 -2.072) 6.204 2.003 ( 2.502 -3.080 -0.550) 4.006 2.011 ( 3.569 -2.386 -1.764) 4.642 2.195 ( 2.673 7.086 -2.503) 7.976 2.256 ( 3.684 1.667 -0.393) 4.063 2.313 ( 6.110 4.213 1.113) 7.505 2.377 ( 1.506 1.102 -1.086) 2.159 2.389 ( 5.993 -0.563 4.593) 7.571 2.475 ( 0.295 -7.336 -2.361) 7.712 2.538 ( 3.820 1.954 -0.587) 4.330 2.584 ( 3.882 -3.096 -0.316) 4.975 2.652 ( 3.491 1.114 1.059) 3.814 2.706 ( 5.387 -0.915 0.758) 5.516 2.736 ( 2.810 0.639 0.646) 2.953 2.781 ( 3.879 -5.554 2.053) 7.079 2.887 ( 1.832 4.645 1.549) 5.228 2.986 ( 2.828 -4.151 0.852) 5.095 3.004 ( 1.684 1.440 0.372) 2.247 3.047 ( 0.871 -1.816 -1.135) 2.312 3.151 ( 1.401 1.644 0.426) 2.202 3.170 ( 2.973 0.364 -1.423) 3.316 3.301 ( 0.436 0.928 -1.041) 1.461 3.315 ( 0.346 -0.293 0.944) 1.047 3.354 ( -0.756 3.012 -0.173) 3.110 3.398 ( -2.919 -1.668 2.196) 4.016 3.477 ( -0.344 2.684 0.176) 2.712 3.496 ( -0.567 0.779 1.136) 1.489 3.545 ( 1.589 0.068 1.304) 2.057 3.614 ( 0.240 -4.648 -4.352) 6.372 3.755 ( -2.449 3.586 -3.548) 5.607 3.803 ( -1.155 -1.709 -1.049) 2.314 3.931 ( 1.313 1.512 1.850) 2.726 3.985 ( 1.775 -3.795 -0.249) 4.197 4.121 ( -1.046 0.684 0.507) 1.348 4.140 ( -1.759 -0.927 0.265) 2.006 4.237 ( -4.648 3.492 0.779) 5.866 4.270 ( -6.496 0.345 -4.817) 8.094 4.322 ( -2.099 0.786 0.507) 2.298 4.366 ( -3.873 -2.736 5.636) 7.366 4.523 ( -3.550 1.184 -1.224) 3.937 4.532 ( -2.730 0.265 -2.199) 3.515 4.732 ( -3.118 2.885 -1.415) 4.478 4.756 ( -2.797 -0.254 -0.858) 2.936 4.838 ( -0.032 2.644 1.030) 2.838 4.916 ( -1.806 -4.116 1.017) 4.608 4.980 ( -5.368 1.439 1.431) 5.739 5.032 ( -4.668 -3.835 2.201) 6.430 5.320 ( -3.169 1.521 0.051) 3.515 5.342 ( -2.897 -0.755 -0.173) 2.999 5.418 ( -3.418 1.993 -1.177) 4.128 5.450 ( -3.864 -1.028 0.408) 4.019 6.506 ( -1.977 1.324 0.313) 2.400 6.517 ( -1.818 0.578 -0.305) 1.932 6.581 ( -2.053 -0.602 0.317) 2.163 6.589 ( -1.816 -1.139 -0.397) 2.180 6.885 ( -0.712 0.902 -0.024) 1.149 6.907 ( -0.040 -1.417 -0.142) 1.425 6.928 ( -0.592 1.849 -0.136) 1.947 6.969 ( -0.597 -2.346 0.068) 2.422 8.386 ( 4.780 1.922 -1.652) 5.410 8.414 ( 4.884 -0.290 -1.819) 5.220 8.507 ( 6.243 4.210 0.196) 7.533 8.647 ( 5.413 -10.095 1.905) 11.612 9.629 ( -0.161 0.985 0.095) 1.002 9.653 ( -0.502 -1.520 -0.075) 1.602 9.724 ( -0.836 -0.010 0.070) 0.839 9.727 ( -0.810 -0.245 0.078) 0.850 10.055 ( 1.011 0.409 0.135) 1.099 10.061 ( 1.161 -0.169 -0.069) 1.175 10.100 ( 0.101 1.141 0.048) 1.147 10.110 ( 0.114 0.086 -0.236) 0.276 12.890 ( -1.215 2.089 2.191) 3.262 12.932 ( -1.163 -2.137 0.708) 2.534 12.966 ( 1.040 1.457 -5.327) 5.620 12.993 ( -0.003 -1.066 -3.735) 3.885 13.317 ( -7.587 2.961 6.085) 10.167 13.334 ( -8.067 1.894 5.887) 10.165 13.522 ( -1.211 5.182 -1.028) 5.420 13.662 ( -0.805 -8.877 -2.979) 9.398 14.392 ( -5.084 11.490 -3.656) 13.086 14.472 ( -4.874 5.773 2.293) 7.895 14.698 ( -5.792 -2.263 2.774) 6.809 14.822 ( -8.530 -12.709 0.276) 15.309 15.243 ( -2.499 2.703 2.366) 4.376 15.286 ( -2.238 -1.452 2.126) 3.411 15.512 ( -7.519 3.428 0.398) 8.273 15.565 ( -9.622 -1.543 -1.393) 9.844 17.159 ( 4.850 0.266 -0.576) 4.891 17.167 ( 4.044 -0.646 -1.037) 4.224 17.327 ( 3.531 4.589 -0.182) 5.793 17.426 ( 2.177 -5.725 -1.054) 6.215 ======================= Grid point 80 (44/51) ======================= q-point: ( 0.27 0.40 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( 5.725 0.008 -3.770) 6.854 0.886 ( 5.020 -3.763 -6.200) 8.820 0.999 ( 1.771 -0.404 2.715) 3.266 1.033 ( 0.124 -3.394 5.091) 6.120 1.244 ( 2.495 2.575 -6.022) 7.009 1.260 ( 3.423 0.356 -4.928) 6.011 1.299 ( 4.350 -0.614 6.368) 7.736 1.311 ( 1.831 -0.804 4.028) 4.497 1.380 ( 4.830 4.104 -7.318) 9.681 1.442 ( 1.133 -0.928 0.750) 1.645 1.473 ( 1.342 0.623 5.717) 5.906 1.527 ( 0.479 -3.701 -0.396) 3.753 1.691 ( 3.398 -1.768 0.071) 3.832 1.699 ( 2.340 -2.597 0.935) 3.618 1.862 ( 4.027 1.454 -0.563) 4.319 1.887 ( 1.728 -1.122 0.732) 2.187 2.008 ( 5.117 3.532 -1.081) 6.311 2.058 ( 6.339 2.579 0.509) 6.862 2.071 ( 4.858 -2.269 0.067) 5.362 2.108 ( 6.505 -0.030 -1.311) 6.636 2.191 ( -0.128 6.275 -1.394) 6.430 2.289 ( -0.053 1.613 -0.876) 1.837 2.380 ( 0.735 0.216 -0.058) 0.768 2.401 ( 0.548 1.433 -1.271) 1.992 2.461 ( 0.343 -5.182 1.186) 5.327 2.479 ( 0.300 -6.156 2.975) 6.844 2.642 ( 6.032 2.927 1.222) 6.815 2.694 ( 5.512 -1.276 0.176) 5.661 2.765 ( 5.503 5.163 0.743) 7.583 2.790 ( 3.232 3.829 2.572) 5.633 2.825 ( 3.722 -0.662 1.147) 3.951 2.898 ( 4.895 -5.667 1.724) 7.684 2.963 ( 5.672 6.079 1.388) 8.429 3.016 ( -0.523 -0.374 1.014) 1.200 3.041 ( -0.055 -2.478 -1.124) 2.722 3.063 ( 3.663 -3.217 1.536) 5.111 3.160 ( 0.278 1.532 -1.684) 2.293 3.185 ( 0.324 1.370 -4.253) 4.480 3.260 ( -3.825 -0.313 -0.070) 3.838 3.298 ( 0.446 -2.813 -1.916) 3.432 3.351 ( -0.224 2.394 0.153) 2.410 3.397 ( 0.267 -2.104 0.913) 2.309 3.461 ( -0.616 3.001 -0.264) 3.075 3.498 ( -0.134 -1.267 0.357) 1.323 3.555 ( -0.140 2.593 -1.373) 2.937 3.622 ( -0.033 -2.332 -1.033) 2.551 3.687 ( -1.007 3.745 -0.076) 3.879 3.769 ( -1.510 -3.668 -1.019) 4.095 3.943 ( -0.471 1.038 0.095) 1.144 3.962 ( -2.468 -0.615 -3.267) 4.140 4.095 ( -3.511 1.339 2.389) 4.452 4.118 ( -1.905 -1.083 1.293) 2.544 4.156 ( -0.775 1.186 -2.837) 3.171 4.174 ( -0.315 -0.271 -1.291) 1.356 4.320 ( -3.058 -0.065 2.082) 3.700 4.324 ( 0.211 -0.961 0.345) 1.043 4.474 ( -0.782 0.643 -0.317) 1.061 4.480 ( -1.404 0.001 -1.488) 2.046 4.660 ( -3.702 1.922 1.283) 4.365 4.679 ( -4.588 -0.174 2.338) 5.152 4.838 ( -0.327 0.578 -0.153) 0.682 4.869 ( -2.542 -2.045 -0.904) 3.385 4.920 ( -1.890 0.294 0.859) 2.097 4.957 ( -3.854 -3.322 1.309) 5.254 5.252 ( -3.563 1.849 0.226) 4.021 5.274 ( -3.834 -0.109 0.327) 3.850 5.341 ( -3.454 1.277 -1.658) 4.039 5.370 ( -4.377 -1.257 0.288) 4.563 6.470 ( -1.906 1.106 0.636) 2.294 6.478 ( -1.855 0.481 -0.018) 1.917 6.541 ( -2.097 -0.458 0.118) 2.149 6.548 ( -1.966 -1.001 -0.524) 2.267 6.872 ( -0.583 1.397 0.018) 1.514 6.903 ( -0.244 -1.839 -0.314) 1.882 6.914 ( -0.648 2.053 0.148) 2.158 6.955 ( -0.709 -2.129 0.008) 2.244 8.465 ( 3.735 1.879 -0.925) 4.282 8.491 ( 3.687 -0.232 -1.473) 3.978 8.611 ( 4.251 3.470 -0.214) 5.492 8.722 ( 1.456 -7.578 1.704) 7.903 9.629 ( 0.176 0.568 -0.263) 0.650 9.643 ( -0.452 -0.889 0.082) 1.001 9.709 ( -0.723 0.010 0.081) 0.728 9.711 ( -0.734 -0.230 0.107) 0.776 10.077 ( 1.095 0.540 0.076) 1.223 10.085 ( 1.228 -0.236 -0.123) 1.257 10.103 ( 0.248 0.983 0.000) 1.014 10.113 ( 0.249 -0.033 -0.026) 0.252 12.871 ( -1.758 1.911 1.405) 2.952 12.907 ( -1.451 -1.732 0.160) 2.265 12.957 ( -0.188 1.405 -3.941) 4.189 12.968 ( -0.406 0.011 -1.719) 1.767 13.217 ( -5.606 2.143 4.379) 7.430 13.227 ( -4.526 1.619 3.009) 5.671 13.508 ( -0.145 4.226 0.915) 4.327 13.638 ( 0.139 -8.910 -2.733) 9.321 14.295 ( -3.470 10.552 -1.343) 11.189 14.393 ( -4.516 5.284 2.947) 7.550 14.581 ( -6.821 -6.506 -1.165) 9.498 14.644 ( -8.833 -9.203 1.055) 12.800 15.192 ( -4.013 2.936 2.392) 5.518 15.239 ( -4.058 -1.828 2.244) 4.984 15.340 ( -8.581 1.685 -3.115) 9.283 15.353 ( -7.762 0.056 -3.060) 8.344 17.263 ( 5.129 1.049 1.282) 5.390 17.287 ( 5.791 -1.396 2.391) 6.419 17.399 ( 4.165 2.860 -0.991) 5.149 17.458 ( 2.390 -3.197 -2.487) 4.703 ======================= Grid point 81 (45/51) ======================= q-point: ( 0.36 0.40 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( 4.917 0.843 -3.265) 5.962 0.963 ( 3.840 -2.783 -2.154) 5.208 1.032 ( 0.836 -1.017 1.056) 1.688 1.047 ( -0.643 -2.411 3.100) 3.980 1.233 ( 0.626 2.052 -6.104) 6.470 1.263 ( 0.126 -0.818 -5.176) 5.242 1.350 ( 0.371 2.586 1.046) 2.814 1.368 ( 0.382 0.823 -1.097) 1.424 1.421 ( 3.472 2.942 -5.037) 6.788 1.478 ( 2.213 -2.611 -4.275) 5.476 1.545 ( 1.178 0.834 8.627) 8.747 1.570 ( 1.631 -1.267 9.204) 9.433 1.781 ( 5.457 -1.261 0.420) 5.617 1.790 ( 5.796 -2.466 0.727) 6.341 1.911 ( 1.692 1.738 0.110) 2.428 1.942 ( 2.728 -1.199 -0.102) 2.982 2.070 ( 2.220 4.675 -2.136) 5.599 2.131 ( 1.726 0.141 1.616) 2.369 2.200 ( 4.371 0.556 1.738) 4.736 2.213 ( 3.569 0.599 -0.179) 3.623 2.230 ( 4.427 -0.280 -0.277) 4.444 2.272 ( 0.770 -1.480 -0.926) 1.908 2.376 ( -1.467 0.364 0.165) 1.521 2.378 ( -1.019 0.474 -0.512) 1.236 2.481 ( 0.556 -2.650 1.732) 3.214 2.505 ( 1.039 -4.512 1.466) 4.857 2.736 ( 0.416 2.973 1.998) 3.606 2.771 ( 3.107 -0.095 -0.129) 3.111 2.821 ( 2.856 1.116 0.842) 3.179 2.845 ( -0.828 -1.190 1.070) 1.802 2.899 ( 3.494 4.915 -0.046) 6.030 2.951 ( -0.284 0.196 2.301) 2.326 2.998 ( -2.211 -0.537 1.791) 2.895 3.016 ( -1.486 -1.704 -0.141) 2.265 3.104 ( -1.712 2.411 -0.623) 3.022 3.121 ( 5.311 2.407 2.180) 6.225 3.169 ( 1.465 -1.217 -1.430) 2.381 3.182 ( 3.418 -1.430 -0.641) 3.760 3.226 ( 1.863 1.657 -3.863) 4.598 3.302 ( 1.732 -4.533 -0.973) 4.949 3.358 ( 1.715 0.807 0.132) 1.900 3.392 ( -0.256 -2.031 0.149) 2.053 3.468 ( 0.777 2.439 -0.177) 2.565 3.504 ( 0.859 -1.531 -0.710) 1.894 3.547 ( 0.170 2.301 -2.298) 3.256 3.559 ( -2.873 2.353 -2.231) 4.332 3.699 ( -1.046 -0.072 -1.258) 1.638 3.736 ( -0.909 -2.311 0.542) 2.542 3.903 ( -0.711 1.514 -2.529) 3.033 3.932 ( -0.011 -1.369 -0.866) 1.620 4.039 ( -3.070 1.844 1.991) 4.097 4.072 ( -2.630 -1.437 1.260) 3.251 4.175 ( 2.219 0.883 -1.470) 2.804 4.193 ( 2.104 -0.930 -1.098) 2.549 4.253 ( -3.482 2.520 -1.040) 4.422 4.310 ( -2.033 -3.272 -0.590) 3.897 4.447 ( -1.107 1.818 -0.229) 2.141 4.480 ( 0.114 -1.615 1.663) 2.321 4.610 ( -2.119 2.130 1.905) 3.558 4.635 ( -1.437 -0.126 3.686) 3.959 4.823 ( -0.675 -0.342 -1.500) 1.680 4.833 ( -0.500 -1.061 -0.351) 1.224 4.888 ( -2.288 -0.925 0.802) 2.595 4.901 ( -1.954 -1.934 0.261) 2.761 5.188 ( -2.827 1.968 0.212) 3.451 5.204 ( -3.226 0.900 0.286) 3.361 5.266 ( -2.967 -0.085 -1.575) 3.360 5.284 ( -4.302 -1.426 0.377) 4.548 6.441 ( -1.425 0.735 0.945) 1.861 6.447 ( -1.255 0.250 0.181) 1.292 6.503 ( -1.612 -0.173 -0.079) 1.623 6.509 ( -1.471 -0.708 -0.629) 1.749 6.863 ( -0.297 1.655 0.080) 1.684 6.892 ( -0.446 -0.275 -0.739) 0.906 6.909 ( -0.182 0.470 0.662) 0.831 6.942 ( -0.518 -1.912 -0.130) 1.985 8.519 ( 1.950 1.756 -0.161) 2.629 8.540 ( 2.178 -0.114 -1.404) 2.594 8.675 ( 2.449 1.616 -0.365) 2.957 8.738 ( -0.581 -4.551 1.461) 4.815 9.632 ( 0.240 0.118 -0.375) 0.460 9.637 ( -0.303 -0.371 0.118) 0.493 9.698 ( -0.482 0.051 0.129) 0.502 9.700 ( -0.447 -0.195 0.094) 0.497 10.097 ( 0.801 0.686 0.056) 1.056 10.105 ( 0.889 -0.192 -0.158) 0.923 10.109 ( 0.267 0.721 0.003) 0.769 10.119 ( 0.258 -0.291 0.015) 0.389 12.843 ( -1.538 1.771 0.741) 2.460 12.876 ( -1.513 -1.571 -0.407) 2.219 12.914 ( -2.139 1.882 -0.435) 2.882 12.941 ( -1.619 -0.880 -1.220) 2.210 13.163 ( -1.864 2.909 2.824) 4.462 13.193 ( -0.255 0.146 -0.183) 0.347 13.524 ( 0.702 3.246 2.109) 3.934 13.633 ( 0.864 -7.842 -2.562) 8.295 14.233 ( -2.299 8.840 -0.341) 9.140 14.332 ( -3.284 7.301 2.041) 8.261 14.429 ( -5.743 -8.582 -3.099) 10.782 14.509 ( -5.852 -8.266 1.383) 10.222 15.120 ( -4.322 3.322 1.971) 5.797 15.155 ( -4.394 1.572 -0.858) 4.745 15.194 ( -4.902 -0.549 0.215) 4.937 15.222 ( -4.140 -1.714 -2.200) 4.992 17.359 ( 3.478 1.982 1.650) 4.330 17.398 ( 3.933 -1.964 1.987) 4.824 17.471 ( 3.252 0.975 -0.975) 3.532 17.493 ( 2.543 -1.183 -2.248) 3.594 ======================= Grid point 82 (46/51) ======================= q-point: ( 0.45 0.40 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( -0.108 1.413 1.205) 1.860 1.001 ( 2.942 0.287 -1.558) 3.342 1.058 ( 0.527 -2.167 1.347) 2.605 1.062 ( 1.865 -1.863 -1.667) 3.119 1.207 ( -0.503 1.258 -2.121) 2.517 1.229 ( -0.701 -0.924 -2.431) 2.693 1.327 ( -1.488 2.740 -2.587) 4.052 1.347 ( -0.786 0.877 -3.691) 3.874 1.454 ( 1.505 2.680 -1.462) 3.404 1.475 ( -0.793 0.960 -0.937) 1.558 1.615 ( 1.144 1.305 6.160) 6.400 1.645 ( 1.297 -1.434 4.888) 5.257 1.888 ( 3.881 -0.689 1.113) 4.095 1.903 ( 4.431 -2.144 -0.473) 4.945 1.940 ( 0.790 1.034 0.461) 1.380 1.961 ( -0.199 -0.475 -0.977) 1.104 2.101 ( 1.591 2.314 -0.655) 2.884 2.140 ( -0.999 -1.734 -0.373) 2.036 2.229 ( -0.021 0.404 2.592) 2.623 2.261 ( 0.595 -0.916 1.499) 1.855 2.291 ( 0.450 0.775 -0.382) 0.974 2.323 ( 1.318 -2.802 2.253) 3.830 2.339 ( -0.180 2.361 -2.068) 3.144 2.390 ( 2.282 -2.390 -1.781) 3.754 2.499 ( 0.050 -1.068 2.386) 2.615 2.523 ( -0.169 -3.221 0.964) 3.366 2.750 ( 0.884 1.305 3.597) 3.927 2.778 ( 0.118 -1.692 0.164) 1.705 2.849 ( -0.625 2.162 2.020) 3.024 2.883 ( 0.839 -0.851 2.090) 2.407 2.930 ( -1.037 3.553 1.816) 4.123 2.955 ( 1.565 1.576 -0.568) 2.292 2.969 ( -1.489 -0.389 1.370) 2.060 2.988 ( -0.487 -1.783 -1.741) 2.539 3.058 ( -1.622 2.089 -2.113) 3.385 3.096 ( -1.945 -1.212 -3.260) 3.986 3.213 ( 1.442 0.450 -1.428) 2.079 3.214 ( 0.859 0.310 -2.664) 2.816 3.315 ( 4.112 2.821 3.277) 5.967 3.357 ( 0.292 -1.637 2.331) 2.863 3.388 ( 1.436 0.701 -0.489) 1.672 3.411 ( 1.179 -0.770 -0.414) 1.468 3.475 ( -0.580 0.334 -0.582) 0.887 3.487 ( 0.042 -0.325 -0.536) 0.628 3.517 ( 0.971 1.869 -2.226) 3.065 3.565 ( 1.122 -2.082 -2.945) 3.777 3.646 ( -1.074 3.797 -1.090) 4.094 3.720 ( -1.525 -3.309 -1.061) 3.795 3.905 ( 1.631 1.713 -0.083) 2.366 3.943 ( 1.648 -2.211 -0.806) 2.873 3.994 ( -2.492 1.249 0.187) 2.794 4.018 ( -3.391 -0.863 -0.871) 3.606 4.186 ( -1.428 2.114 -0.501) 2.600 4.208 ( 1.099 0.832 -2.143) 2.549 4.227 ( 1.742 -1.358 -1.176) 2.502 4.252 ( -2.485 -3.045 0.140) 3.933 4.451 ( 0.770 2.697 3.369) 4.383 4.499 ( 0.302 -2.088 3.756) 4.308 4.590 ( -0.456 2.443 -0.619) 2.562 4.637 ( -0.889 -2.044 0.909) 2.407 4.807 ( -0.093 0.716 -0.704) 1.009 4.828 ( -0.254 -0.984 -0.197) 1.035 4.853 ( -1.169 0.362 1.024) 1.596 4.879 ( -0.494 -2.023 -0.178) 2.090 5.149 ( -1.475 2.164 0.638) 2.696 5.160 ( -0.639 1.854 -0.761) 2.103 5.212 ( -2.440 -1.616 0.619) 2.991 5.221 ( -0.935 -1.734 -1.113) 2.263 6.426 ( -0.711 0.545 1.030) 1.365 6.434 ( -0.219 -0.206 0.301) 0.426 6.478 ( -0.787 0.230 -0.130) 0.831 6.486 ( -0.408 -0.486 -0.738) 0.973 6.862 ( 0.052 1.629 0.227) 1.645 6.880 ( -0.268 0.587 -0.771) 1.005 6.913 ( 0.097 -0.400 0.729) 0.837 6.933 ( -0.304 -1.629 -0.315) 1.686 8.542 ( 0.433 1.758 0.326) 1.839 8.564 ( 1.203 -0.341 -1.601) 2.032 8.710 ( 1.286 -0.387 -0.019) 1.343 8.725 ( -1.322 -1.813 1.050) 2.477 9.632 ( -0.224 -0.030 0.101) 0.247 9.634 ( 0.194 -0.223 -0.322) 0.437 9.692 ( -0.161 0.107 0.182) 0.266 9.695 ( -0.125 -0.183 0.012) 0.222 10.108 ( 0.284 0.740 0.009) 0.793 10.112 ( 0.016 0.517 -0.040) 0.519 10.118 ( 0.439 -0.143 -0.041) 0.464 10.123 ( 0.076 -0.415 -0.024) 0.422 12.824 ( -0.738 1.523 0.741) 1.848 12.848 ( -0.889 -0.335 -0.651) 1.151 12.883 ( -0.882 0.680 0.607) 1.268 12.906 ( -0.655 -1.151 -1.113) 1.730 13.159 ( -0.521 3.105 1.973) 3.716 13.196 ( 0.590 -0.451 -1.140) 1.361 13.551 ( 0.341 2.145 2.701) 3.466 13.635 ( 0.659 -6.301 -2.597) 6.846 14.203 ( -0.511 7.386 0.387) 7.414 14.268 ( -2.869 7.077 -1.880) 7.865 14.367 ( -0.051 -7.974 1.115) 8.052 14.426 ( -2.841 -7.839 -0.032) 8.338 15.061 ( -2.227 3.927 1.373) 4.718 15.089 ( -1.161 3.988 -1.371) 4.374 15.130 ( -2.141 -2.455 1.254) 3.491 15.160 ( -1.033 -2.663 -1.501) 3.227 17.418 ( 1.277 1.969 1.948) 3.050 17.457 ( 0.791 -2.131 1.324) 2.631 17.508 ( 1.406 0.918 -1.546) 2.283 17.524 ( 1.422 -0.744 -1.475) 2.180 ======================= Grid point 83 (47/51) ======================= q-point: (-0.45 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( -2.819 2.666 1.072) 4.026 1.021 ( -0.973 -3.152 -1.298) 3.545 1.069 ( 0.410 0.043 -1.102) 1.176 1.086 ( 1.582 -1.926 -0.587) 2.561 1.179 ( -2.461 0.844 -0.684) 2.690 1.202 ( -1.603 -1.326 -1.644) 2.652 1.299 ( 0.689 2.651 -1.064) 2.939 1.318 ( 0.735 0.752 -2.254) 2.487 1.429 ( -3.248 3.129 1.505) 4.754 1.462 ( -1.518 0.148 1.687) 2.275 1.662 ( 0.714 2.071 2.468) 3.300 1.684 ( 1.174 0.081 0.504) 1.280 1.891 ( -3.395 -0.821 0.373) 3.512 1.908 ( -2.937 -2.328 -0.175) 3.752 1.956 ( 0.244 1.016 0.018) 1.045 1.973 ( 0.960 -1.032 -1.689) 2.200 2.084 ( -2.777 2.390 0.371) 3.683 2.131 ( 0.172 -1.180 0.084) 1.195 2.232 ( -1.510 0.126 2.878) 3.252 2.258 ( -1.875 -1.013 -0.136) 2.136 2.296 ( 1.338 -0.086 2.047) 2.447 2.332 ( -0.606 1.684 -1.922) 2.626 2.338 ( 0.035 -1.810 0.903) 2.023 2.386 ( -1.991 -2.740 -2.010) 3.938 2.516 ( 0.228 -1.529 1.568) 2.201 2.522 ( 0.097 -2.660 0.549) 2.718 2.797 ( 1.293 0.957 0.139) 1.614 2.803 ( 0.716 0.040 -0.181) 0.740 2.869 ( 0.331 2.012 2.430) 3.173 2.887 ( -0.490 0.237 3.392) 3.436 2.927 ( 1.861 1.020 1.338) 2.509 2.940 ( -1.085 -0.541 0.955) 1.543 2.965 ( -0.928 1.952 -0.850) 2.323 2.994 ( 0.737 -1.161 -2.313) 2.691 3.015 ( -1.082 2.342 -0.098) 2.581 3.058 ( 0.018 -1.276 -0.627) 1.422 3.203 ( -1.296 1.253 -1.634) 2.433 3.217 ( -0.113 -0.683 -2.511) 2.604 3.334 ( -2.555 0.923 1.721) 3.216 3.354 ( -1.508 -0.857 2.748) 3.249 3.405 ( -0.990 0.431 -1.037) 1.498 3.413 ( 0.729 0.481 -0.467) 0.990 3.470 ( 0.073 2.867 0.302) 2.883 3.501 ( 0.331 0.831 -2.125) 2.305 3.513 ( -1.632 0.081 -1.690) 2.351 3.529 ( 0.014 -0.547 -1.715) 1.801 3.664 ( -1.635 -0.827 -2.241) 2.895 3.694 ( 3.584 -2.819 0.632) 4.604 3.917 ( -3.217 1.889 -0.655) 3.788 3.948 ( -1.326 -0.872 -0.080) 1.589 3.976 ( 2.725 0.467 0.180) 2.770 3.990 ( 2.745 -0.844 0.377) 2.897 4.176 ( 0.281 0.953 0.325) 1.046 4.198 ( -0.429 -1.041 -1.388) 1.787 4.235 ( 0.605 0.427 -0.772) 1.070 4.259 ( 1.656 -1.913 -0.756) 2.641 4.501 ( -0.365 2.803 1.034) 3.009 4.517 ( 2.065 1.923 1.974) 3.444 4.588 ( -2.121 -1.294 -0.079) 2.485 4.614 ( 1.354 -3.008 1.569) 3.653 4.804 ( -1.030 1.513 -0.246) 1.847 4.818 ( 0.667 0.213 0.513) 0.868 4.861 ( 0.641 -0.581 1.062) 1.370 4.876 ( 0.588 -2.315 -0.863) 2.540 5.141 ( 0.670 2.197 0.437) 2.338 5.174 ( 2.406 1.899 -1.173) 3.282 5.191 ( 0.149 -1.163 0.999) 1.540 5.233 ( 2.441 -2.359 -0.797) 3.487 6.426 ( 0.231 0.787 0.828) 1.166 6.442 ( 0.878 -0.732 0.190) 1.159 6.472 ( 0.192 0.714 -0.061) 0.742 6.486 ( 0.801 -0.670 -0.613) 1.211 6.867 ( 0.222 1.454 0.319) 1.505 6.874 ( 0.121 1.124 -0.695) 1.327 6.920 ( 0.212 -1.024 0.665) 1.239 6.927 ( 0.014 -1.357 -0.449) 1.430 8.541 ( -0.703 1.855 0.268) 2.002 8.569 ( 0.247 -0.901 -1.821) 2.046 8.698 ( -1.822 0.769 0.924) 2.183 8.731 ( 0.593 -2.510 0.481) 2.624 9.629 ( -0.163 0.247 0.068) 0.303 9.636 ( 0.174 -0.497 -0.211) 0.567 9.693 ( 0.158 0.080 0.139) 0.225 9.695 ( 0.181 -0.155 -0.031) 0.240 10.108 ( -0.324 0.652 -0.005) 0.728 10.111 ( -0.030 0.659 0.015) 0.660 10.119 ( -0.468 -0.274 -0.082) 0.549 10.122 ( -0.028 -0.343 0.021) 0.345 12.824 ( 0.213 1.130 0.889) 1.454 12.839 ( 0.298 -0.011 -0.290) 0.416 12.888 ( 1.341 1.053 0.018) 1.705 12.916 ( 2.349 -1.400 -1.389) 3.067 13.154 ( -1.212 3.306 2.093) 4.096 13.196 ( 0.025 -0.615 -0.949) 1.131 13.564 ( -0.813 0.781 2.991) 3.197 13.624 ( -0.125 -5.014 -2.968) 5.828 14.220 ( 1.020 6.779 0.326) 6.863 14.229 ( 0.984 6.666 -0.441) 6.753 14.396 ( 0.417 -6.781 -0.933) 6.857 14.415 ( 3.606 -7.980 0.867) 8.800 15.056 ( 0.951 4.013 1.188) 4.292 15.097 ( 2.809 4.067 -1.474) 5.158 15.124 ( 0.616 -2.725 1.409) 3.129 15.163 ( 2.219 -2.587 -1.343) 3.664 17.430 ( -1.501 1.047 2.246) 2.897 17.448 ( -2.056 -0.650 0.717) 2.272 17.503 ( -1.222 1.084 -1.159) 2.003 17.529 ( -0.061 -1.469 -1.636) 2.200 ======================= Grid point 84 (48/51) ======================= q-point: (-0.36 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( -4.197 0.763 -0.585) 4.305 0.940 ( -5.878 -4.153 -1.967) 7.461 1.054 ( -3.772 2.035 3.691) 5.657 1.112 ( -0.585 -2.843 1.321) 3.189 1.115 ( -0.635 0.042 -2.255) 2.343 1.147 ( -2.541 -2.736 -0.270) 3.744 1.316 ( -0.575 3.110 0.560) 3.212 1.338 ( 0.982 0.887 0.144) 1.331 1.390 ( -0.650 1.426 0.926) 1.820 1.424 ( -2.585 -1.978 1.871) 3.754 1.642 ( -3.276 2.436 0.206) 4.087 1.700 ( -0.506 -2.371 -1.438) 2.819 1.807 ( -4.582 0.498 0.784) 4.676 1.831 ( -3.173 -1.486 -2.551) 4.334 1.942 ( -1.725 0.836 -0.035) 1.917 1.949 ( -1.457 0.875 -2.026) 2.644 2.038 ( -1.548 4.684 0.329) 4.944 2.129 ( -2.296 0.845 1.093) 2.679 2.179 ( -5.006 -3.233 0.712) 6.001 2.190 ( -5.125 0.358 1.578) 5.375 2.281 ( -1.857 0.561 -3.606) 4.095 2.289 ( -4.123 -0.836 -0.967) 4.317 2.340 ( -0.023 1.551 2.227) 2.714 2.386 ( 3.324 -0.762 -0.225) 3.418 2.502 ( -1.746 -1.912 -0.144) 2.593 2.541 ( 0.908 -5.354 0.516) 5.455 2.786 ( -2.575 1.800 -1.334) 3.414 2.802 ( -0.959 0.477 -1.818) 2.110 2.853 ( -0.460 1.860 1.719) 2.574 2.860 ( -3.535 3.682 2.110) 5.523 2.891 ( -2.448 -0.674 -2.365) 3.469 2.935 ( -1.893 -2.389 0.095) 3.050 3.000 ( 1.096 2.018 2.110) 3.119 3.037 ( 3.527 0.038 0.994) 3.664 3.061 ( 0.791 0.876 3.642) 3.828 3.094 ( 4.093 -0.688 1.991) 4.603 3.132 ( -3.892 3.386 0.814) 5.222 3.171 ( -3.602 -1.544 -1.814) 4.318 3.248 ( -3.997 1.359 -4.946) 6.503 3.315 ( -3.615 -3.762 -0.350) 5.229 3.372 ( -1.869 0.334 -0.479) 1.958 3.400 ( -1.448 -2.289 -1.097) 2.923 3.443 ( -1.443 2.150 1.178) 2.845 3.482 ( -1.803 -0.357 0.418) 1.885 3.510 ( 1.410 1.605 -1.711) 2.737 3.544 ( 3.968 -2.165 -0.217) 4.525 3.675 ( 2.478 4.668 0.393) 5.300 3.749 ( 1.194 -2.396 -0.411) 2.709 3.873 ( -0.522 2.384 -0.245) 2.453 3.931 ( 0.781 -3.318 -0.851) 3.513 4.043 ( 2.679 0.486 1.330) 3.030 4.057 ( 2.863 -0.916 1.854) 3.531 4.171 ( -1.119 0.935 -0.847) 1.687 4.186 ( -0.211 -0.512 -1.261) 1.377 4.255 ( 2.225 1.597 -0.703) 2.828 4.288 ( 1.037 -1.904 0.674) 2.270 4.473 ( -0.686 2.733 -1.210) 3.067 4.526 ( -1.331 -2.742 -1.487) 3.391 4.617 ( 4.230 3.428 1.975) 5.792 4.669 ( 2.260 -1.526 1.769) 3.251 4.795 ( 0.365 1.073 0.318) 1.177 4.836 ( 1.083 -2.317 -0.655) 2.640 4.885 ( 1.430 -0.536 0.900) 1.772 4.896 ( 1.675 -1.912 0.114) 2.544 5.182 ( 2.975 2.087 0.357) 3.652 5.221 ( 2.608 -2.161 0.349) 3.405 5.237 ( 3.799 3.585 -0.584) 5.256 5.295 ( 3.833 -2.402 -0.435) 4.545 6.444 ( 1.150 1.283 0.509) 1.797 6.468 ( 1.721 -0.706 -0.684) 1.982 6.486 ( 1.152 0.699 0.690) 1.514 6.508 ( 1.696 -1.140 -0.402) 2.083 6.870 ( 0.294 1.571 -0.336) 1.633 6.881 ( 0.626 1.015 0.124) 1.199 6.923 ( 0.183 -1.011 -0.468) 1.129 6.934 ( 0.519 -1.599 0.456) 1.742 8.516 ( -1.970 1.853 -0.091) 2.706 8.549 ( -1.127 -1.619 -2.057) 2.850 8.661 ( -2.511 3.118 0.747) 4.072 8.737 ( -0.694 -4.600 1.355) 4.845 9.627 ( -0.026 0.468 -0.020) 0.470 9.638 ( 0.176 -0.749 -0.073) 0.773 9.700 ( 0.438 0.047 0.022) 0.441 9.702 ( 0.465 -0.182 0.009) 0.500 10.098 ( -0.774 0.561 0.052) 0.958 10.103 ( -0.984 0.097 -0.047) 0.990 10.109 ( -0.210 0.574 0.004) 0.611 10.119 ( -0.239 -0.323 0.004) 0.402 12.842 ( 0.867 0.790 1.117) 1.620 12.853 ( 1.127 -0.169 0.057) 1.141 12.935 ( 3.335 2.016 -1.362) 4.128 12.968 ( 3.392 -1.340 -2.579) 4.467 13.147 ( -0.464 4.038 3.268) 5.215 13.198 ( 1.065 -0.632 0.208) 1.256 13.558 ( -1.497 -0.927 3.205) 3.657 13.598 ( -0.286 -4.317 -3.557) 5.601 14.238 ( 2.166 8.077 -0.924) 8.414 14.313 ( 5.463 8.385 3.098) 10.476 14.418 ( 2.750 -6.720 -1.922) 7.511 14.524 ( 6.729 -9.872 0.238) 11.949 15.110 ( 3.505 3.195 1.746) 5.054 15.163 ( 2.886 -1.783 0.857) 3.499 15.178 ( 5.414 2.890 -1.172) 6.248 15.229 ( 5.157 -1.951 -1.748) 5.784 17.382 ( -3.804 0.941 0.788) 3.997 17.399 ( -3.822 -0.901 2.254) 4.528 17.452 ( -2.968 2.150 -0.950) 3.786 17.496 ( -2.193 -2.386 -2.106) 3.865 ======================= Grid point 85 (49/51) ======================= q-point: (-0.27 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( -9.176 -2.004 0.156) 9.394 0.799 ( -4.130 -2.670 -0.157) 4.920 0.986 ( -5.011 2.833 8.883) 10.585 1.079 ( -4.136 -5.298 5.577) 8.733 1.085 ( -1.393 0.687 -2.173) 2.671 1.132 ( 0.013 -3.480 -1.997) 4.012 1.284 ( -2.390 2.892 0.928) 3.865 1.335 ( -1.870 -1.657 1.625) 2.980 1.364 ( -2.288 2.576 0.132) 3.448 1.419 ( 0.400 -2.852 -1.093) 3.080 1.564 ( -3.882 1.470 -0.456) 4.176 1.633 ( -4.302 -5.399 -1.367) 7.037 1.740 ( -2.635 2.339 -1.783) 3.949 1.764 ( -1.375 -0.603 -3.646) 3.943 1.889 ( -2.056 2.527 -2.423) 4.061 1.917 ( -1.249 -0.259 -1.201) 1.752 1.991 ( -5.014 3.701 -0.254) 6.237 2.035 ( -6.617 2.655 1.201) 7.230 2.059 ( -7.485 0.471 1.998) 7.761 2.073 ( -5.609 -2.889 -0.158) 6.312 2.207 ( -1.842 3.023 -1.537) 3.859 2.270 ( 0.831 -1.971 -1.384) 2.547 2.363 ( 0.407 5.350 1.541) 5.582 2.406 ( -1.197 1.996 -0.897) 2.494 2.464 ( -1.266 -3.820 -0.636) 4.074 2.557 ( 0.172 -7.790 -0.647) 7.818 2.684 ( -6.076 2.071 -1.473) 6.586 2.715 ( -6.847 -0.130 -0.061) 6.849 2.796 ( -4.257 3.761 -0.224) 5.685 2.830 ( -4.728 1.592 1.952) 5.357 2.842 ( -2.012 0.591 -2.044) 2.928 2.902 ( -2.508 -3.903 2.422) 5.234 2.986 ( -3.070 2.532 1.856) 4.391 3.013 ( -3.278 1.061 -1.167) 3.638 3.053 ( -1.842 -0.057 -0.248) 1.859 3.093 ( -0.904 1.848 1.485) 2.537 3.129 ( 0.657 0.801 0.363) 1.098 3.142 ( -2.418 -2.828 -5.908) 6.982 3.210 ( 2.284 0.048 2.993) 3.765 3.257 ( 0.524 -4.115 0.302) 4.160 3.355 ( 0.603 2.340 0.143) 2.420 3.414 ( 1.678 -3.820 0.642) 4.221 3.417 ( -2.239 2.275 1.328) 3.457 3.461 ( -0.361 -1.843 0.547) 1.956 3.548 ( 2.111 5.201 1.654) 5.852 3.608 ( 2.215 0.527 -1.639) 2.805 3.717 ( 0.329 -0.631 -1.097) 1.307 3.743 ( 0.332 -1.862 -0.363) 1.926 3.900 ( 2.651 3.634 1.674) 4.800 3.966 ( 2.811 -2.456 -1.930) 4.202 4.091 ( 1.310 0.207 1.494) 1.997 4.117 ( 1.840 -2.161 1.820) 3.371 4.147 ( -0.446 0.894 -0.461) 1.100 4.170 ( 0.597 -1.192 -2.412) 2.755 4.301 ( 1.463 1.767 1.006) 2.505 4.317 ( 2.192 0.581 2.426) 3.320 4.480 ( 2.120 1.143 -1.549) 2.863 4.508 ( 0.635 -1.618 -1.777) 2.485 4.702 ( 3.604 2.688 -0.943) 4.593 4.727 ( 3.275 0.218 -0.385) 3.305 4.820 ( 1.763 0.667 0.996) 2.132 4.863 ( 2.378 -3.183 -0.791) 4.051 4.923 ( 1.922 0.318 0.640) 2.051 4.950 ( 3.144 -2.657 1.699) 4.453 5.253 ( 3.870 1.772 0.137) 4.258 5.283 ( 3.162 -1.496 0.538) 3.539 5.313 ( 4.112 3.366 -0.608) 5.348 5.370 ( 3.633 -2.333 0.071) 4.318 6.476 ( 1.801 1.678 0.198) 2.469 6.498 ( 2.008 0.432 -1.383) 2.476 6.524 ( 1.876 -0.433 1.288) 2.316 6.545 ( 2.071 -1.529 -0.233) 2.584 6.878 ( 0.626 1.515 -0.332) 1.673 6.895 ( 0.669 0.529 0.188) 0.873 6.926 ( 0.500 -0.540 -0.682) 1.003 6.949 ( 0.648 -1.933 0.488) 2.097 8.459 ( -3.645 1.655 -0.398) 4.023 8.495 ( -3.112 -2.143 -2.204) 4.374 8.602 ( -3.954 4.841 0.560) 6.275 8.712 ( -3.182 -6.416 2.291) 7.519 9.628 ( 0.271 0.492 -0.206) 0.598 9.642 ( 0.160 -0.977 0.147) 1.001 9.711 ( 0.700 0.026 -0.017) 0.700 9.713 ( 0.693 -0.231 0.002) 0.730 10.078 ( -1.157 0.259 0.071) 1.188 10.080 ( -1.276 0.088 0.062) 1.281 10.105 ( -0.137 0.911 -0.067) 0.924 10.114 ( -0.204 -0.035 -0.054) 0.214 12.865 ( 0.576 0.949 1.557) 1.912 12.881 ( 1.403 -0.454 0.354) 1.516 12.977 ( 1.881 1.575 -3.973) 4.669 12.997 ( 1.682 -0.386 -3.074) 3.526 13.205 ( 4.066 5.022 4.291) 7.756 13.267 ( 5.550 -0.122 1.543) 5.762 13.549 ( -1.352 -2.660 3.499) 4.598 13.578 ( 0.740 -4.178 -4.095) 5.897 14.290 ( 3.366 10.165 -0.828) 10.740 14.460 ( 5.637 6.808 -2.223) 9.114 14.497 ( 7.604 -4.966 4.718) 10.234 14.677 ( 8.607 -9.858 -0.708) 13.106 15.213 ( 5.209 1.378 3.538) 6.445 15.235 ( 3.400 -0.433 1.847) 3.893 15.288 ( 6.161 2.721 -1.433) 6.886 15.335 ( 6.618 -1.621 -2.646) 7.309 17.306 ( -4.032 1.705 -0.562) 4.414 17.320 ( -4.705 0.382 0.839) 4.794 17.389 ( -3.142 -0.273 1.962) 3.715 17.414 ( -4.549 -2.651 -3.270) 6.198 ======================= Grid point 86 (50/51) ======================= q-point: (-0.18 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.625 ( -5.294 7.144 2.503) 9.237 0.753 ( -1.952 -1.237 6.375) 6.781 0.982 ( -1.169 -1.003 7.834) 7.984 1.017 ( -3.297 2.167 -1.966) 4.408 1.044 ( -3.442 -5.179 7.094) 9.434 1.104 ( -1.527 -4.260 -1.376) 4.730 1.236 ( -2.796 2.979 -0.108) 4.087 1.290 ( -4.711 0.318 0.051) 4.722 1.313 ( -1.230 1.423 -0.185) 1.890 1.397 ( -0.505 -5.338 -4.447) 6.966 1.498 ( -2.147 0.511 -0.245) 2.220 1.543 ( -3.374 -4.454 -1.807) 5.873 1.660 ( -4.878 4.942 0.064) 6.945 1.737 ( -0.314 -2.746 -2.081) 3.460 1.818 ( -5.128 3.297 -0.904) 6.163 1.865 ( -4.112 0.998 -0.097) 4.233 1.896 ( -4.031 1.716 -1.171) 4.535 1.909 ( -0.888 2.334 -1.716) 3.030 1.958 ( -4.608 -3.425 1.168) 5.859 1.979 ( -3.854 -3.784 0.860) 5.469 2.181 ( -2.073 5.828 -0.914) 6.253 2.235 ( -4.083 -0.778 -0.233) 4.163 2.342 ( -4.533 6.081 0.479) 7.600 2.366 ( -0.829 1.745 -0.405) 1.974 2.429 ( -4.994 -0.801 -0.031) 5.058 2.503 ( -2.285 -4.133 -2.587) 5.385 2.567 ( -3.900 -0.069 -1.748) 4.274 2.602 ( -2.775 -3.615 -0.387) 4.574 2.698 ( -4.270 0.541 -1.713) 4.633 2.707 ( -6.447 -0.244 0.491) 6.470 2.771 ( -3.362 1.358 -1.566) 3.950 2.844 ( -3.345 -3.503 -2.201) 5.320 2.943 ( -2.293 1.926 -1.340) 3.281 2.974 ( 0.441 3.061 0.013) 3.093 3.030 ( -1.069 -3.434 0.145) 3.599 3.052 ( -2.508 -1.905 -3.445) 4.668 3.087 ( -2.150 2.939 3.960) 5.379 3.156 ( -0.268 -1.305 1.139) 1.753 3.243 ( -0.345 2.162 3.661) 4.266 3.292 ( 0.480 -0.938 3.392) 3.551 3.350 ( -3.625 2.388 0.533) 4.374 3.376 ( 0.869 -1.414 2.232) 2.782 3.458 ( 1.385 0.013 -1.836) 2.300 3.497 ( 3.320 -3.958 2.212) 5.620 3.575 ( 0.119 3.656 -1.290) 3.879 3.618 ( 0.632 -0.622 -3.258) 3.376 3.702 ( 0.732 2.663 -0.482) 2.804 3.766 ( 0.364 -3.294 0.941) 3.445 3.948 ( -1.031 1.185 2.165) 2.675 3.992 ( 0.567 -2.745 -1.366) 3.118 4.121 ( 1.113 0.868 2.231) 2.640 4.139 ( 1.076 -0.724 1.175) 1.750 4.160 ( 2.744 1.854 -0.374) 3.333 4.212 ( 3.295 -3.150 -1.274) 4.733 4.366 ( 4.357 3.471 2.530) 6.118 4.394 ( 3.089 0.596 5.435) 6.280 4.516 ( 3.170 1.167 -4.555) 5.671 4.539 ( 4.031 -1.021 -3.812) 5.641 4.756 ( 3.120 3.407 -2.215) 5.123 4.775 ( 1.951 0.410 -1.433) 2.455 4.862 ( 1.826 1.782 -0.607) 2.623 4.936 ( 4.512 -4.595 -0.146) 6.441 4.972 ( 2.777 2.644 2.048) 4.346 5.032 ( 3.667 -3.664 2.475) 5.744 5.327 ( 3.493 1.101 -0.407) 3.684 5.345 ( 2.647 -0.907 0.119) 2.800 5.388 ( 3.516 2.702 0.279) 4.443 5.436 ( 2.794 -2.152 0.967) 3.657 6.515 ( 1.911 1.800 -0.073) 2.626 6.530 ( 1.946 0.932 -1.345) 2.543 6.569 ( 1.830 -0.919 1.206) 2.377 6.584 ( 1.903 -1.664 -0.077) 2.528 6.889 ( 0.713 1.133 -0.305) 1.373 6.907 ( 0.359 -0.068 -0.055) 0.369 6.934 ( 0.645 0.240 -0.623) 0.928 6.964 ( 0.539 -2.107 0.425) 2.216 8.370 ( -4.933 1.161 -0.249) 5.073 8.400 ( -5.096 -2.000 -1.855) 5.780 8.508 ( -5.840 5.466 0.410) 8.010 8.631 ( -6.568 -7.342 2.739) 10.225 9.636 ( 0.639 0.123 -0.367) 0.747 9.646 ( 0.086 -1.061 0.408) 1.140 9.726 ( 0.808 -0.007 -0.019) 0.808 9.728 ( 0.781 -0.246 -0.015) 0.819 10.055 ( -1.236 0.138 0.289) 1.276 10.056 ( -1.075 0.086 0.010) 1.078 10.102 ( -0.064 1.020 -0.069) 1.025 10.111 ( 0.075 0.147 -0.301) 0.343 12.883 ( 0.269 1.334 1.691) 2.170 12.907 ( 0.687 -0.995 1.062) 1.609 12.976 ( 1.546 1.799 -4.873) 5.420 13.011 ( 1.580 -1.791 -3.190) 3.985 13.335 ( 5.355 6.544 4.912) 9.779 13.416 ( 8.209 1.228 0.081) 8.301 13.548 ( -1.145 -4.188 4.500) 6.253 13.585 ( 2.898 -4.379 -4.934) 7.206 14.356 ( 3.565 11.484 -0.364) 12.030 14.528 ( 3.790 -2.495 -2.754) 5.308 14.723 ( 10.285 1.653 1.924) 10.594 14.846 ( 8.899 -7.748 -0.916) 11.834 15.302 ( 2.145 2.095 0.399) 3.024 15.316 ( 2.319 0.437 -0.295) 2.378 15.439 ( 9.684 2.568 5.966) 11.660 15.480 ( 9.135 -1.234 1.390) 9.322 17.189 ( -5.872 1.573 -2.991) 6.775 17.230 ( -5.912 -2.345 -4.880) 8.017 17.302 ( -3.584 2.574 0.857) 4.495 17.366 ( -1.070 -3.707 3.702) 5.347 ======================= Grid point 87 (51/51) ======================= q-point: (-0.09 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( 5.600 15.868 3.865) 17.266 0.780 ( -2.214 6.449 12.543) 14.277 0.930 ( -2.310 8.548 -3.669) 9.585 0.999 ( -2.699 -5.517 6.052) 8.622 1.058 ( -0.299 -6.523 1.370) 6.672 1.071 ( -0.550 -6.804 2.880) 7.409 1.173 ( -3.820 4.259 -4.682) 7.393 1.197 ( 0.183 4.535 0.641) 4.584 1.302 ( -0.451 0.922 -1.110) 1.512 1.372 ( 1.035 -5.470 -2.695) 6.185 1.471 ( -2.937 1.818 1.303) 3.692 1.491 ( -0.302 -1.183 -1.247) 1.745 1.574 ( -2.461 4.322 -0.046) 4.974 1.680 ( -5.125 1.652 1.793) 5.675 1.736 ( -1.886 -3.395 0.993) 4.009 1.804 ( -1.840 -1.956 -1.373) 3.016 1.848 ( -1.568 -1.257 0.259) 2.026 1.872 ( -1.967 -2.657 -2.136) 3.936 1.895 ( -2.758 -2.077 1.601) 3.806 1.928 ( -2.675 -2.903 0.440) 3.972 2.107 ( -2.806 4.068 -0.419) 4.959 2.150 ( -2.963 -1.470 -0.042) 3.308 2.231 ( -5.628 2.729 -1.097) 6.350 2.269 ( -6.787 -0.401 -0.571) 6.822 2.368 ( 0.657 4.510 -1.280) 4.734 2.470 ( -1.053 -2.599 -2.639) 3.850 2.531 ( -0.660 -1.619 -2.348) 2.927 2.543 ( -1.577 -3.810 -2.683) 4.920 2.616 ( -2.068 0.986 -0.554) 2.357 2.645 ( -1.317 -1.017 -1.103) 1.996 2.712 ( -0.971 3.358 -1.383) 3.759 2.773 ( -1.882 -1.811 -2.335) 3.504 2.906 ( -0.728 0.019 -1.310) 1.499 2.952 ( -3.060 0.448 -2.068) 3.720 2.981 ( -1.709 1.034 -1.176) 2.318 3.003 ( -2.152 -2.138 0.226) 3.042 3.081 ( -1.143 -1.664 4.217) 4.675 3.105 ( -4.020 -2.796 1.750) 5.200 3.283 ( -1.101 4.278 4.193) 6.090 3.289 ( 0.122 2.414 -1.298) 2.744 3.313 ( 0.107 2.619 4.006) 4.788 3.398 ( -0.702 -4.782 4.661) 6.714 3.492 ( 2.315 0.092 -1.305) 2.659 3.540 ( 0.062 -3.216 -1.622) 3.602 3.571 ( 1.082 0.534 -2.847) 3.092 3.601 ( 0.481 -1.239 -4.063) 4.275 3.746 ( 2.727 1.890 2.109) 3.931 3.774 ( 0.118 -1.350 2.543) 2.881 3.898 ( -3.379 0.852 0.659) 3.547 3.947 ( -3.709 -3.566 -0.988) 5.239 4.169 ( 1.966 1.323 -1.530) 2.821 4.185 ( 2.766 0.278 -1.024) 2.962 4.247 ( 3.064 0.666 7.418) 8.053 4.260 ( 1.357 -0.617 2.974) 3.327 4.466 ( 1.845 4.030 6.419) 7.800 4.502 ( 3.524 -0.465 7.438) 8.243 4.556 ( 4.694 3.288 -8.741) 10.452 4.601 ( 5.889 -0.766 -9.072) 10.842 4.782 ( 0.564 1.753 -3.269) 3.752 4.803 ( 1.586 -0.621 -2.012) 2.636 4.891 ( 2.123 5.732 -1.371) 6.264 4.969 ( -0.030 0.330 -1.365) 1.405 5.086 ( 4.762 -2.518 3.814) 6.601 5.119 ( 3.211 -4.426 2.977) 6.226 5.380 ( 1.953 0.280 -0.883) 2.162 5.386 ( 1.633 -0.493 -0.589) 1.805 5.459 ( 3.076 1.793 1.716) 3.952 5.496 ( 2.184 -2.054 2.421) 3.854 6.546 ( 1.232 1.703 -0.251) 2.116 6.555 ( 1.272 1.014 -1.141) 1.987 6.606 ( 1.124 -0.929 1.010) 1.774 6.616 ( 1.268 -1.590 0.090) 2.036 6.901 ( 0.643 0.779 -0.260) 1.043 6.911 ( 0.373 0.205 -0.294) 0.517 6.941 ( 0.276 0.444 -0.347) 0.628 6.970 ( -0.226 -1.998 0.112) 2.014 8.279 ( -3.623 0.643 0.565) 3.722 8.294 ( -4.052 -0.887 0.676) 4.203 8.389 ( -5.562 4.470 -0.097) 7.136 8.493 ( -8.029 -6.337 1.388) 10.323 9.645 ( -0.019 -0.341 0.566) 0.661 9.652 ( 0.609 -1.053 -0.363) 1.269 9.740 ( 0.556 -0.064 0.014) 0.560 9.742 ( 0.520 -0.235 -0.006) 0.571 10.036 ( -0.773 0.215 0.341) 0.871 10.039 ( -0.618 -0.017 0.092) 0.625 10.101 ( -0.102 1.120 0.123) 1.131 10.113 ( 0.386 -0.098 -0.741) 0.842 12.897 ( 0.055 0.961 1.577) 1.847 12.922 ( 0.303 -1.520 1.328) 2.041 12.986 ( 2.026 1.292 -4.657) 5.241 13.024 ( 1.686 -2.781 -3.494) 4.773 13.441 ( 1.461 5.852 6.107) 8.583 13.545 ( 1.838 2.851 -1.501) 3.709 13.566 ( 2.408 -4.881 5.231) 7.549 13.638 ( 5.483 -3.654 -5.885) 8.834 14.433 ( 3.811 11.347 2.272) 12.183 14.582 ( 2.853 -2.633 -1.216) 4.068 14.874 ( 6.209 2.314 -4.034) 7.757 14.992 ( 5.280 -8.754 -2.233) 10.464 15.308 ( -1.442 2.807 0.783) 3.251 15.336 ( 1.706 0.409 -2.948) 3.431 15.659 ( 6.358 2.551 0.093) 6.851 15.702 ( 8.115 -2.001 3.434) 9.036 17.068 ( -3.979 0.622 -0.483) 4.057 17.084 ( -2.769 -1.106 0.507) 3.024 17.272 ( -1.310 4.643 0.355) 4.838 17.370 ( -0.991 -5.565 1.428) 5.830 =================== 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 3/17820 10.0 10.237 14.810 13.643 0.000 0.035 0.000 3/17820 20.0 2.630 3.591 3.822 0.000 -0.125 0.000 3/17820 30.0 1.293 1.676 1.834 0.000 -0.063 0.000 3/17820 40.0 0.842 1.043 1.150 0.000 -0.038 0.000 3/17820 50.0 0.628 0.752 0.832 0.000 -0.026 0.000 3/17820 60.0 0.506 0.590 0.654 0.000 -0.020 0.000 3/17820 70.0 0.427 0.488 0.541 0.000 -0.016 0.000 3/17820 80.0 0.372 0.419 0.464 0.000 -0.014 0.000 3/17820 90.0 0.332 0.370 0.409 0.000 -0.013 0.000 3/17820 100.0 0.302 0.334 0.367 0.000 -0.012 0.000 3/17820 110.0 0.278 0.306 0.335 0.000 -0.011 0.000 3/17820 120.0 0.260 0.285 0.310 0.000 -0.010 0.000 3/17820 130.0 0.245 0.268 0.289 0.000 -0.010 0.000 3/17820 140.0 0.232 0.254 0.271 0.000 -0.010 0.000 3/17820 150.0 0.222 0.242 0.257 0.000 -0.009 0.000 3/17820 160.0 0.213 0.232 0.244 0.000 -0.009 0.000 3/17820 170.0 0.205 0.223 0.233 0.000 -0.008 0.000 3/17820 180.0 0.197 0.215 0.223 0.000 -0.008 0.000 3/17820 190.0 0.191 0.208 0.214 0.000 -0.007 0.000 3/17820 200.0 0.185 0.202 0.205 0.000 -0.007 0.000 3/17820 210.0 0.179 0.195 0.198 0.000 -0.007 0.000 3/17820 220.0 0.174 0.190 0.191 0.000 -0.006 0.000 3/17820 230.0 0.169 0.184 0.185 0.000 -0.006 0.000 3/17820 240.0 0.165 0.179 0.179 0.000 -0.006 0.000 3/17820 250.0 0.160 0.174 0.173 0.000 -0.005 0.000 3/17820 260.0 0.156 0.170 0.168 0.000 -0.005 0.000 3/17820 270.0 0.152 0.166 0.163 0.000 -0.005 0.000 3/17820 280.0 0.149 0.161 0.158 0.000 -0.005 0.000 3/17820 290.0 0.145 0.157 0.154 0.000 -0.005 0.000 3/17820 300.0 0.142 0.154 0.150 0.000 -0.004 0.000 3/17820 310.0 0.138 0.150 0.146 0.000 -0.004 0.000 3/17820 320.0 0.135 0.146 0.142 0.000 -0.004 0.000 3/17820 330.0 0.132 0.143 0.138 0.000 -0.004 0.000 3/17820 340.0 0.129 0.140 0.135 0.000 -0.004 0.000 3/17820 350.0 0.126 0.137 0.132 0.000 -0.004 0.000 3/17820 360.0 0.124 0.134 0.129 0.000 -0.003 0.000 3/17820 370.0 0.121 0.131 0.126 0.000 -0.003 0.000 3/17820 380.0 0.119 0.128 0.123 0.000 -0.003 0.000 3/17820 390.0 0.116 0.125 0.120 0.000 -0.003 0.000 3/17820 400.0 0.114 0.123 0.118 0.000 -0.003 0.000 3/17820 410.0 0.112 0.120 0.115 0.000 -0.003 0.000 3/17820 420.0 0.109 0.118 0.113 0.000 -0.003 0.000 3/17820 430.0 0.107 0.116 0.110 0.000 -0.003 0.000 3/17820 440.0 0.105 0.113 0.108 0.000 -0.003 0.000 3/17820 450.0 0.103 0.111 0.106 0.000 -0.003 0.000 3/17820 460.0 0.101 0.109 0.104 0.000 -0.002 0.000 3/17820 470.0 0.100 0.107 0.102 0.000 -0.002 0.000 3/17820 480.0 0.098 0.105 0.100 0.000 -0.002 0.000 3/17820 490.0 0.096 0.103 0.098 0.000 -0.002 0.000 3/17820 500.0 0.094 0.102 0.096 0.000 -0.002 0.000 3/17820 510.0 0.093 0.100 0.095 0.000 -0.002 0.000 3/17820 520.0 0.091 0.098 0.093 0.000 -0.002 0.000 3/17820 530.0 0.090 0.097 0.091 0.000 -0.002 0.000 3/17820 540.0 0.088 0.095 0.090 0.000 -0.002 0.000 3/17820 550.0 0.087 0.093 0.088 0.000 -0.002 0.000 3/17820 560.0 0.086 0.092 0.087 0.000 -0.002 0.000 3/17820 570.0 0.084 0.091 0.085 0.000 -0.002 0.000 3/17820 580.0 0.083 0.089 0.084 0.000 -0.002 0.000 3/17820 590.0 0.082 0.088 0.083 0.000 -0.002 0.000 3/17820 600.0 0.080 0.086 0.081 0.000 -0.002 0.000 3/17820 610.0 0.079 0.085 0.080 0.000 -0.002 0.000 3/17820 620.0 0.078 0.084 0.079 0.000 -0.002 0.000 3/17820 630.0 0.077 0.083 0.078 0.000 -0.002 0.000 3/17820 640.0 0.076 0.081 0.077 0.000 -0.002 0.000 3/17820 650.0 0.075 0.080 0.076 0.000 -0.002 0.000 3/17820 660.0 0.074 0.079 0.074 0.000 -0.002 0.000 3/17820 670.0 0.073 0.078 0.073 0.000 -0.001 0.000 3/17820 680.0 0.072 0.077 0.072 0.000 -0.001 0.000 3/17820 690.0 0.071 0.076 0.071 0.000 -0.001 0.000 3/17820 700.0 0.070 0.075 0.070 0.000 -0.001 0.000 3/17820 710.0 0.069 0.074 0.070 0.000 -0.001 0.000 3/17820 720.0 0.068 0.073 0.069 0.000 -0.001 0.000 3/17820 730.0 0.067 0.072 0.068 0.000 -0.001 0.000 3/17820 740.0 0.066 0.071 0.067 0.000 -0.001 0.000 3/17820 750.0 0.066 0.070 0.066 0.000 -0.001 0.000 3/17820 760.0 0.065 0.069 0.065 0.000 -0.001 0.000 3/17820 770.0 0.064 0.069 0.064 0.000 -0.001 0.000 3/17820 780.0 0.063 0.068 0.064 0.000 -0.001 0.000 3/17820 790.0 0.062 0.067 0.063 0.000 -0.001 0.000 3/17820 800.0 0.062 0.066 0.062 0.000 -0.001 0.000 3/17820 810.0 0.061 0.065 0.061 0.000 -0.001 0.000 3/17820 820.0 0.060 0.065 0.061 0.000 -0.001 0.000 3/17820 830.0 0.060 0.064 0.060 0.000 -0.001 0.000 3/17820 840.0 0.059 0.063 0.059 0.000 -0.001 0.000 3/17820 850.0 0.058 0.062 0.059 0.000 -0.001 0.000 3/17820 860.0 0.058 0.062 0.058 0.000 -0.001 0.000 3/17820 870.0 0.057 0.061 0.057 0.000 -0.001 0.000 3/17820 880.0 0.056 0.060 0.057 0.000 -0.001 0.000 3/17820 890.0 0.056 0.060 0.056 0.000 -0.001 0.000 3/17820 900.0 0.055 0.059 0.055 0.000 -0.001 0.000 3/17820 910.0 0.055 0.059 0.055 0.000 -0.001 0.000 3/17820 920.0 0.054 0.058 0.054 0.000 -0.001 0.000 3/17820 930.0 0.054 0.057 0.054 0.000 -0.001 0.000 3/17820 940.0 0.053 0.057 0.053 0.000 -0.001 0.000 3/17820 950.0 0.052 0.056 0.053 0.000 -0.001 0.000 3/17820 960.0 0.052 0.056 0.052 0.000 -0.001 0.000 3/17820 970.0 0.051 0.055 0.052 0.000 -0.001 0.000 3/17820 980.0 0.051 0.054 0.051 0.000 -0.001 0.000 3/17820 990.0 0.050 0.054 0.050 0.000 -0.001 0.000 3/17820 1000.0 0.050 0.053 0.050 0.000 -0.001 0.000 3/17820 Thermal conductivity related properties were written into "kappa-m1153.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 11:23:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|