# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/ca51ce4c-df21-4fcb-9ae1-9b27256a0ee0/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for K3AuSe13 / P2/c (13) / materials id 28606](https://mdr.nims.go.jp/datasets/229cc24f-b146-4902-aef4-0ce0091b80fe) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 07:26:33]-------------------------Compiled with OpenMP support (max 32 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2/c (13)Number of symmetry operations in supercell: 12------------------------------ primitive cell ------------------------------Lattice vectors: a 14.661175060343497 0.000000000000000 0.000000000000000 b 0.000000000000000 4.968468679999999 0.000000000000000 c -0.983556240302970 0.000000000000000 13.198814893037266Atomic positions (fractional): *1 K 0.22717726189317 0.80061849654357 0.34670171643636 39.098 2 K 0.77282273810683 0.80061849654357 0.15329828356364 39.098 *3 K 0.50000000000000 0.82181682175659 0.25000000000000 39.098 4 K 0.50000000000000 0.17818317824341 0.75000000000000 39.098 5 K 0.77282273810683 0.19938150345643 0.65329828356364 39.098 6 K 0.22717726189317 0.19938150345643 0.84670171643636 39.098 *7 Se 0.11976214857420 0.68818590473231 0.94892641939639 78.960 *8 Se 0.76592704950963 0.36929716316292 0.91392300283522 78.960 9 Se 0.76592704950963 0.63070283683708 0.41392300283522 78.960 10 Se 0.23407295049037 0.63070283683708 0.08607699716478 78.960 *11 Se 0.64291454436618 0.07932237618872 0.95568319139475 78.960 12 Se 0.35708545563382 0.07932237618872 0.54431680860525 78.960 13 Se 0.35708545563382 0.92067762381128 0.04431680860525 78.960 14 Se 0.64291454436618 0.92067762381128 0.45568319139475 78.960 *15 Se 0.56590581756977 0.31653190080248 0.08232298830069 78.960 16 Se 0.23407295049037 0.36929716316292 0.58607699716478 78.960 17 Se 0.43409418243023 0.68346809919752 0.91767701169931 78.960 18 Se 0.56590581756977 0.68346809919752 0.58232298830069 78.960 *19 Se 0.65235194590051 0.30360821631983 0.24127886851398 78.960 20 Se 0.34764805409949 0.30360821631983 0.25872113148602 78.960 21 Se 0.34764805409949 0.69639178368017 0.75872113148602 78.960 22 Se 0.65235194590051 0.69639178368017 0.74127886851398 78.960 *23 Se 0.90693852974054 0.89619683607340 0.84006781014227 78.960 24 Se 0.09306147025946 0.89619683607340 0.65993218985773 78.960 25 Se 0.09306147025946 0.10380316392660 0.15993218985773 78.960 26 Se 0.90693852974054 0.10380316392660 0.34006781014227 78.960 *27 Se 0.00000000000000 0.39404118592748 0.25000000000000 78.960 28 Se 0.00000000000000 0.60595881407252 0.75000000000000 78.960 29 Se 0.88023785142580 0.31181409526769 0.05107358060361 78.960 30 Se 0.11976214857420 0.31181409526769 0.44892641939639 78.960 31 Se 0.43409418243023 0.31653190080248 0.41767701169930 78.960 32 Se 0.88023785142580 0.68818590473231 0.55107358060361 78.960 *33 Au 0.00000000000000 0.00000000000000 0.00000000000000 196.967 34 Au 0.00000000000000 0.00000000000000 0.50000000000000 196.967-------------------------------- unit cell ---------------------------------Lattice vectors: a 14.661175060343497 0.000000000000000 0.000000000000000 b 0.000000000000000 4.968468679999999 0.000000000000000 c -0.983556240302970 0.000000000000000 13.198814893037266Atomic positions (fractional): *1 K 0.22717726189317 0.80061849654357 0.34670171643636 39.098 > 1 2 K 0.77282273810683 0.80061849654357 0.15329828356364 39.098 > 2 *3 K 0.50000000000000 0.82181682175659 0.25000000000000 39.098 > 3 4 K 0.50000000000000 0.17818317824341 0.75000000000000 39.098 > 4 5 K 0.77282273810683 0.19938150345643 0.65329828356364 39.098 > 5 6 K 0.22717726189317 0.19938150345643 0.84670171643636 39.098 > 6 *7 Se 0.11976214857420 0.68818590473231 0.94892641939639 78.960 > 7 *8 Se 0.76592704950963 0.36929716316292 0.91392300283522 78.960 > 8 9 Se 0.76592704950963 0.63070283683708 0.41392300283522 78.960 > 9 10 Se 0.23407295049037 0.63070283683708 0.08607699716478 78.960 > 10 *11 Se 0.64291454436618 0.07932237618872 0.95568319139475 78.960 > 11 12 Se 0.35708545563382 0.07932237618872 0.54431680860525 78.960 > 12 13 Se 0.35708545563382 0.92067762381128 0.04431680860525 78.960 > 13 14 Se 0.64291454436618 0.92067762381128 0.45568319139475 78.960 > 14 *15 Se 0.56590581756977 0.31653190080248 0.08232298830069 78.960 > 15 16 Se 0.23407295049037 0.36929716316292 0.58607699716478 78.960 > 16 17 Se 0.43409418243023 0.68346809919752 0.91767701169931 78.960 > 17 18 Se 0.56590581756977 0.68346809919752 0.58232298830069 78.960 > 18 *19 Se 0.65235194590051 0.30360821631983 0.24127886851398 78.960 > 19 20 Se 0.34764805409949 0.30360821631983 0.25872113148602 78.960 > 20 21 Se 0.34764805409949 0.69639178368017 0.75872113148602 78.960 > 21 22 Se 0.65235194590051 0.69639178368017 0.74127886851398 78.960 > 22 *23 Se 0.90693852974054 0.89619683607340 0.84006781014227 78.960 > 23 24 Se 0.09306147025946 0.89619683607340 0.65993218985773 78.960 > 24 25 Se 0.09306147025946 0.10380316392660 0.15993218985773 78.960 > 25 26 Se 0.90693852974054 0.10380316392660 0.34006781014227 78.960 > 26 *27 Se 0.00000000000000 0.39404118592748 0.25000000000000 78.960 > 27 28 Se 0.00000000000000 0.60595881407252 0.75000000000000 78.960 > 28 29 Se 0.88023785142580 0.31181409526769 0.05107358060361 78.960 > 29 30 Se 0.11976214857420 0.31181409526769 0.44892641939639 78.960 > 30 31 Se 0.43409418243023 0.31653190080248 0.41767701169930 78.960 > 31 32 Se 0.88023785142580 0.68818590473231 0.55107358060361 78.960 > 32 *33 Au 0.00000000000000 0.00000000000000 0.00000000000000 196.967 > 33 34 Au 0.00000000000000 0.00000000000000 0.50000000000000 196.967 > 34-------------------------------- super cell --------------------------------Lattice vectors: a 14.661175060343497 0.000000000000000 0.000000000000000 b 0.000000000000000 14.905406039999997 0.000000000000000 c -0.983556240302970 0.000000000000000 13.198814893037266Atomic positions (fractional): *1 K 0.22717726189317 0.26687283218119 0.34670171643636 39.098 > 1 2 K 0.22717726189317 0.60020616551452 0.34670171643636 39.098 > 1 3 K 0.22717726189317 0.93353949884786 0.34670171643636 39.098 > 1 4 K 0.77282273810683 0.26687283218119 0.15329828356364 39.098 > 2 5 K 0.77282273810683 0.60020616551452 0.15329828356364 39.098 > 2 6 K 0.77282273810683 0.93353949884786 0.15329828356364 39.098 > 2 *7 K 0.50000000000000 0.27393894058553 0.25000000000000 39.098 > 3 8 K 0.50000000000000 0.60727227391886 0.25000000000000 39.098 > 3 9 K 0.50000000000000 0.94060560725220 0.25000000000000 39.098 > 3 10 K 0.50000000000000 0.05939439274780 0.75000000000000 39.098 > 4 11 K 0.50000000000000 0.39272772608114 0.75000000000000 39.098 > 4 12 K 0.50000000000000 0.72606105941447 0.75000000000000 39.098 > 4 13 K 0.77282273810683 0.06646050115214 0.65329828356364 39.098 > 5 14 K 0.77282273810683 0.39979383448548 0.65329828356364 39.098 > 5 15 K 0.77282273810683 0.73312716781881 0.65329828356364 39.098 > 5 16 K 0.22717726189317 0.06646050115214 0.84670171643636 39.098 > 6 17 K 0.22717726189317 0.39979383448548 0.84670171643636 39.098 > 6 18 K 0.22717726189317 0.73312716781881 0.84670171643636 39.098 > 6 *19 Se 0.11976214857420 0.22939530157744 0.94892641939639 78.960 > 7 20 Se 0.11976214857420 0.56272863491077 0.94892641939639 78.960 > 7 21 Se 0.11976214857420 0.89606196824410 0.94892641939639 78.960 > 7 *22 Se 0.76592704950963 0.12309905438764 0.91392300283522 78.960 > 8 23 Se 0.76592704950963 0.45643238772097 0.91392300283522 78.960 > 8 24 Se 0.76592704950963 0.78976572105431 0.91392300283522 78.960 > 8 25 Se 0.76592704950963 0.21023427894569 0.41392300283522 78.960 > 9 26 Se 0.76592704950963 0.54356761227903 0.41392300283522 78.960 > 9 27 Se 0.76592704950963 0.87690094561236 0.41392300283522 78.960 > 9 28 Se 0.23407295049037 0.21023427894569 0.08607699716478 78.960 > 10 29 Se 0.23407295049037 0.54356761227903 0.08607699716478 78.960 > 10 30 Se 0.23407295049037 0.87690094561236 0.08607699716478 78.960 > 10 *31 Se 0.64291454436618 0.02644079206291 0.95568319139475 78.960 > 11 32 Se 0.64291454436618 0.35977412539624 0.95568319139475 78.960 > 11 33 Se 0.64291454436618 0.69310745872957 0.95568319139475 78.960 > 11 34 Se 0.35708545563382 0.02644079206291 0.54431680860525 78.960 > 12 35 Se 0.35708545563382 0.35977412539624 0.54431680860525 78.960 > 12 36 Se 0.35708545563382 0.69310745872957 0.54431680860525 78.960 > 12 37 Se 0.35708545563382 0.30689254127043 0.04431680860525 78.960 > 13 38 Se 0.35708545563382 0.64022587460376 0.04431680860525 78.960 > 13 39 Se 0.35708545563382 0.97355920793709 0.04431680860525 78.960 > 13 40 Se 0.64291454436618 0.30689254127043 0.45568319139475 78.960 > 14 41 Se 0.64291454436618 0.64022587460376 0.45568319139475 78.960 > 14 42 Se 0.64291454436618 0.97355920793709 0.45568319139475 78.960 > 14 *43 Se 0.56590581756977 0.10551063360083 0.08232298830069 78.960 > 15 44 Se 0.56590581756977 0.43884396693416 0.08232298830069 78.960 > 15 45 Se 0.56590581756977 0.77217730026749 0.08232298830069 78.960 > 15 46 Se 0.23407295049037 0.12309905438764 0.58607699716478 78.960 > 16 47 Se 0.23407295049037 0.45643238772097 0.58607699716478 78.960 > 16 48 Se 0.23407295049037 0.78976572105431 0.58607699716478 78.960 > 16 49 Se 0.43409418243023 0.22782269973251 0.91767701169931 78.960 > 17 50 Se 0.43409418243023 0.56115603306584 0.91767701169931 78.960 > 17 51 Se 0.43409418243023 0.89448936639917 0.91767701169931 78.960 > 17 52 Se 0.56590581756977 0.22782269973251 0.58232298830069 78.960 > 18 53 Se 0.56590581756977 0.56115603306584 0.58232298830069 78.960 > 18 54 Se 0.56590581756977 0.89448936639917 0.58232298830069 78.960 > 18 *55 Se 0.65235194590051 0.10120273877328 0.24127886851398 78.960 > 19 56 Se 0.65235194590051 0.43453607210661 0.24127886851398 78.960 > 19 57 Se 0.65235194590051 0.76786940543994 0.24127886851398 78.960 > 19 58 Se 0.34764805409949 0.10120273877328 0.25872113148602 78.960 > 20 59 Se 0.34764805409949 0.43453607210661 0.25872113148602 78.960 > 20 60 Se 0.34764805409949 0.76786940543994 0.25872113148602 78.960 > 20 61 Se 0.34764805409949 0.23213059456006 0.75872113148602 78.960 > 21 62 Se 0.34764805409949 0.56546392789339 0.75872113148602 78.960 > 21 63 Se 0.34764805409949 0.89879726122672 0.75872113148602 78.960 > 21 64 Se 0.65235194590051 0.23213059456006 0.74127886851398 78.960 > 22 65 Se 0.65235194590051 0.56546392789339 0.74127886851398 78.960 > 22 66 Se 0.65235194590051 0.89879726122672 0.74127886851398 78.960 > 22 *67 Se 0.90693852974054 0.29873227869113 0.84006781014227 78.960 > 23 68 Se 0.90693852974054 0.63206561202447 0.84006781014227 78.960 > 23 69 Se 0.90693852974054 0.96539894535780 0.84006781014227 78.960 > 23 70 Se 0.09306147025946 0.29873227869113 0.65993218985773 78.960 > 24 71 Se 0.09306147025946 0.63206561202447 0.65993218985773 78.960 > 24 72 Se 0.09306147025946 0.96539894535780 0.65993218985773 78.960 > 24 73 Se 0.09306147025946 0.03460105464220 0.15993218985773 78.960 > 25 74 Se 0.09306147025946 0.36793438797553 0.15993218985773 78.960 > 25 75 Se 0.09306147025946 0.70126772130887 0.15993218985773 78.960 > 25 76 Se 0.90693852974054 0.03460105464220 0.34006781014227 78.960 > 26 77 Se 0.90693852974054 0.36793438797553 0.34006781014227 78.960 > 26 78 Se 0.90693852974054 0.70126772130887 0.34006781014227 78.960 > 26 *79 Se 0.00000000000000 0.13134706197583 0.25000000000000 78.960 > 27 80 Se 0.00000000000000 0.46468039530916 0.25000000000000 78.960 > 27 81 Se 0.00000000000000 0.79801372864249 0.25000000000000 78.960 > 27 82 Se 0.00000000000000 0.20198627135751 0.75000000000000 78.960 > 28 83 Se 0.00000000000000 0.53531960469084 0.75000000000000 78.960 > 28 84 Se 0.00000000000000 0.86865293802417 0.75000000000000 78.960 > 28 85 Se 0.88023785142580 0.10393803175590 0.05107358060361 78.960 > 29 86 Se 0.88023785142580 0.43727136508923 0.05107358060361 78.960 > 29 87 Se 0.88023785142580 0.77060469842256 0.05107358060361 78.960 > 29 88 Se 0.11976214857420 0.10393803175590 0.44892641939639 78.960 > 30 89 Se 0.11976214857420 0.43727136508923 0.44892641939639 78.960 > 30 90 Se 0.11976214857420 0.77060469842256 0.44892641939639 78.960 > 30 91 Se 0.43409418243023 0.10551063360083 0.41767701169930 78.960 > 31 92 Se 0.43409418243023 0.43884396693416 0.41767701169930 78.960 > 31 93 Se 0.43409418243023 0.77217730026749 0.41767701169930 78.960 > 31 94 Se 0.88023785142580 0.22939530157744 0.55107358060361 78.960 > 32 95 Se 0.88023785142580 0.56272863491077 0.55107358060361 78.960 > 32 96 Se 0.88023785142580 0.89606196824410 0.55107358060361 78.960 > 32 *97 Au 0.00000000000000 0.00000000000000 0.00000000000000 196.967 > 33 98 Au 0.00000000000000 0.33333333333333 0.00000000000000 196.967 > 33 99 Au 0.00000000000000 0.66666666666667 0.00000000000000 196.967 > 33 100 Au 0.00000000000000 0.00000000000000 0.50000000000000 196.967 > 34 101 Au 0.00000000000000 0.33333333333333 0.50000000000000 196.967 > 34 102 Au 0.00000000000000 0.66666666666667 0.50000000000000 196.967 > 34----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 10.3837940 0.0000000 1.1346390 0.0000000 7.2068083 0.0000000 1.1346354 0.0000000 13.5601951-------------------------- Born effective charges -------------------------- 1 K 1.1341125 0.0361509 -0.0028472 0.0505023 1.3799135 -0.0975382 -0.0786164 -0.0935529 1.3507607 2 K 1.1341125 -0.0361509 -0.0028472 -0.0505023 1.3799135 0.0975382 -0.0786164 0.0935529 1.3507607 3 K 1.4524137 0.0000000 -0.1556477 0.0000000 1.3304502 0.0000000 0.2109312 0.0000000 1.2442685 4 K 1.4524137 0.0000000 -0.1556477 0.0000000 1.3304502 0.0000000 0.2109312 0.0000000 1.2442685 5 K 1.1341125 0.0361509 -0.0028472 0.0505023 1.3799135 -0.0975382 -0.0786164 -0.0935529 1.3507607 6 K 1.1341125 -0.0361509 -0.0028472 -0.0505023 1.3799135 0.0975382 -0.0786164 0.0935529 1.3507607 7 Se -0.5607923 0.7392959 1.0881282 0.4088304 -1.0579555 0.0663422 1.3632310 0.5142509 1.1387164 8 Se -0.1221788 0.5049271 0.3843698 0.5026566 0.5651177 -0.6377530 0.2089781 -0.9590514 -0.1583547 9 Se -0.1221788 -0.5049271 0.3843698 -0.5026566 0.5651177 0.6377530 0.2089781 0.9590514 -0.1583547 10 Se -0.1221788 0.5049271 0.3843698 0.5026566 0.5651177 -0.6377530 0.2089781 -0.9590514 -0.1583547 11 Se 0.6785489 0.0482108 -0.5828315 -0.0580907 -0.1409943 0.7135451 -0.3993633 0.8469929 0.8190946 12 Se 0.6785489 -0.0482108 -0.5828315 0.0580907 -0.1409943 -0.7135451 -0.3993633 -0.8469929 0.8190946 13 Se 0.6785489 0.0482108 -0.5828315 -0.0580907 -0.1409943 0.7135451 -0.3993633 0.8469929 0.8190946 14 Se 0.6785489 -0.0482108 -0.5828315 0.0580907 -0.1409943 -0.7135451 -0.3993633 -0.8469929 0.8190946 15 Se -0.6175006 -0.2180111 0.2511427 -0.1621269 -0.6285753 -0.2721828 0.3351479 -0.7495065 0.4467107 16 Se -0.1221788 -0.5049271 0.3843698 -0.5026566 0.5651177 0.6377530 0.2089781 0.9590514 -0.1583547 17 Se -0.6175006 -0.2180111 0.2511427 -0.1621269 -0.6285753 -0.2721828 0.3351479 -0.7495065 0.4467107 18 Se -0.6175006 0.2180111 0.2511427 0.1621269 -0.6285753 0.2721828 0.3351479 0.7495065 0.4467107 19 Se -1.1672824 0.3229040 0.0479131 0.1059008 -0.8563680 0.0877307 -0.6071021 0.5040910 -2.7174695 20 Se -1.1672824 -0.3229040 0.0479131 -0.1059008 -0.8563680 -0.0877307 -0.6071021 -0.5040910 -2.7174695 21 Se -1.1672824 0.3229040 0.0479131 0.1059008 -0.8563680 0.0877307 -0.6071021 0.5040910 -2.7174695 22 Se -1.1672824 -0.3229040 0.0479131 -0.1059008 -0.8563680 -0.0877307 -0.6071021 -0.5040910 -2.7174695 23 Se -0.2323282 -0.9161032 -0.4353681 -0.9837735 -0.1096115 0.4373137 -0.7795385 0.7986897 -1.1615224 24 Se -0.2323282 0.9161032 -0.4353681 0.9837735 -0.1096115 -0.4373137 -0.7795385 -0.7986897 -1.1615224 25 Se -0.2323282 -0.9161032 -0.4353681 -0.9837735 -0.1096115 0.4373137 -0.7795385 0.7986897 -1.1615224 26 Se -0.2323282 0.9161032 -0.4353681 0.9837735 -0.1096115 -0.4373137 -0.7795385 -0.7986897 -1.1615224 27 Se -0.2381225 0.0000000 -1.4055409 0.0000000 -0.0325783 0.0000000 -1.1575099 0.0000000 -1.3716473 28 Se -0.2381225 0.0000000 -1.4055409 0.0000000 -0.0325783 0.0000000 -1.1575099 0.0000000 -1.3716473 29 Se -0.5607923 0.7392959 1.0881282 0.4088304 -1.0579555 0.0663422 1.3632310 0.5142509 1.1387164 30 Se -0.5607923 -0.7392959 1.0881282 -0.4088304 -1.0579555 -0.0663422 1.3632310 -0.5142509 1.1387164 31 Se -0.6175006 0.2180111 0.2511427 0.1621269 -0.6285753 0.2721828 0.3351479 0.7495065 0.4467107 32 Se -0.5607923 -0.7392959 1.0881282 -0.4088304 -1.0579555 -0.0663422 1.3632310 -0.5142509 1.1387164 33 Au 0.5605505 -0.5238322 0.0601747 -0.1882063 0.3990747 0.3544700 0.8611051 -0.1051645 0.6915074 34 Au 0.5605505 0.5238322 0.0601747 0.1882063 0.3990747 -0.3544700 0.8611051 0.1051645 0.6915074----------------------------------------------------------------------------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: 306/306Permutation basis: 15861/15861Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 4014Number of blocks in projector: 4014Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 880Use submatrix version of eigh solver.(1) Block: 500 / 880 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found.(1) 481 eigenvectors found.(1) Block: 880 / 880(1) 365 eigenvectors found.(1) Complementary block size: 34(1) Compute compressed projector.(1) Use standard solver.(1) 15 eigenvectors found.--- Eigsh_solver_block: 2 / 6 ---Block_size: 856Use submatrix version of eigh solver.(1) Block: 500 / 856 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found.(1) 484 eigenvectors found.(1) Block: 856 / 856(1) 340 eigenvectors found.(1) Complementary block size: 32(1) Compute compressed projector.(1) Use standard solver.(1) 16 eigenvectors found.--- Eigsh_solver_block: 3 / 6 ---Block_size: 856Use submatrix version of eigh solver.(1) Block: 500 / 856 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found.(1) 484 eigenvectors found.(1) Block: 856 / 856(1) 340 eigenvectors found.(1) Complementary block size: 32(1) Compute compressed projector.(1) Use standard solver.(1) 16 eigenvectors found.--- Eigsh_solver_block: 4 / 6 ---Block_size: 474Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 474Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 474Use standard eigh solver.Tree of FC basis block matrices:- (4014, 3933), data: False|-- (474, 464), data: True|-- (474, 464), data: True|-- (474, 464), data: True|-- (856, 840), data: False |-- (856, 16), data: (856, 32) @ (32, 16) |-- (356, 340), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True|-- (856, 840), data: False |-- (856, 16), data: (856, 32) @ (32, 16) |-- (356, 340), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True|-- (880, 861), data: False |-- (880, 15), data: (880, 34) @ (34, 15) |-- (380, 365), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True-----Solver_atoms: 1 -- 102 / 102Time (Solver_compr_matrix_reshape): 0.004Solver_block: 100 / 1040 - Time: 0.983Solver_block: 200 / 1040 - Time: 0.892Solver_block: 300 / 1040 - Time: 0.895Solver_block: 400 / 1040 - Time: 0.894Solver_block: 500 / 1040 - Time: 0.893Solver_block: 600 / 1040 - Time: 0.894Solver_block: 700 / 1040 - Time: 0.895Solver_block: 800 / 1040 - Time: 0.892Solver_block: 900 / 1040 - Time: 0.894Solver_block: 1000 / 1040 - Time: 0.894Solver_block: 1040 / 1040 - Time: 0.431Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 9.691--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 306/306Permutation basis: 15861/15861Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 4014Number of blocks in projector: 4014Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 880Use submatrix version of eigh solver.(1) Block: 500 / 880 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found.(1) 481 eigenvectors found.(1) Block: 880 / 880(1) 365 eigenvectors found.(1) Complementary block size: 34(1) Compute compressed projector.(1) Use standard solver.(1) 15 eigenvectors found.--- Eigsh_solver_block: 2 / 6 ---Block_size: 856Use submatrix version of eigh solver.(1) Block: 500 / 856 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found.(1) 484 eigenvectors found.(1) Block: 856 / 856(1) 340 eigenvectors found.(1) Complementary block size: 32(1) Compute compressed projector.(1) Use standard solver.(1) 16 eigenvectors found.--- Eigsh_solver_block: 3 / 6 ---Block_size: 856Use submatrix version of eigh solver.(1) Block: 500 / 856 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found.(1) 484 eigenvectors found.(1) Block: 856 / 856(1) 340 eigenvectors found.(1) Complementary block size: 32(1) Compute compressed projector.(1) Use standard solver.(1) 16 eigenvectors found.--- Eigsh_solver_block: 4 / 6 ---Block_size: 474Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 474Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 474Use standard eigh solver.Tree of FC basis block matrices:- (4014, 3933), data: False|-- (474, 464), data: True|-- (474, 464), data: True|-- (474, 464), data: True|-- (856, 840), data: False |-- (856, 16), data: (856, 32) @ (32, 16) |-- (356, 340), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True|-- (856, 840), data: False |-- (856, 16), data: (856, 32) @ (32, 16) |-- (356, 340), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True|-- (880, 861), data: False |-- (880, 15), data: (880, 34) @ (34, 15) |-- (380, 365), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: TrueMax drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 07:27:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 07:27:28]-------------------------Compiled with OpenMP support (max 32 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [1 3 1]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2/c (13)------------------------------ primitive cell ------------------------------Lattice vectors: a 14.661175060343497 0.000000000000000 0.000000000000000 b 0.000000000000000 4.968468679999999 0.000000000000000 c -0.983556240302970 0.000000000000000 13.198814893037266Atomic positions (fractional): 1 K 0.22717726189317 0.80061849654357 0.34670171643636 39.098 2 K 0.77282273810683 0.80061849654357 0.15329828356364 39.098 3 K 0.50000000000000 0.82181682175659 0.25000000000000 39.098 4 K 0.50000000000000 0.17818317824341 0.75000000000000 39.098 5 K 0.77282273810683 0.19938150345643 0.65329828356364 39.098 6 K 0.22717726189317 0.19938150345643 0.84670171643636 39.098 7 Se 0.11976214857420 0.68818590473231 0.94892641939639 78.960 8 Se 0.76592704950963 0.36929716316292 0.91392300283522 78.960 9 Se 0.76592704950963 0.63070283683708 0.41392300283522 78.960 10 Se 0.23407295049037 0.63070283683708 0.08607699716478 78.960 11 Se 0.64291454436618 0.07932237618872 0.95568319139475 78.960 12 Se 0.35708545563382 0.07932237618872 0.54431680860525 78.960 13 Se 0.35708545563382 0.92067762381128 0.04431680860525 78.960 14 Se 0.64291454436618 0.92067762381128 0.45568319139475 78.960 15 Se 0.56590581756977 0.31653190080248 0.08232298830069 78.960 16 Se 0.23407295049037 0.36929716316292 0.58607699716478 78.960 17 Se 0.43409418243023 0.68346809919752 0.91767701169931 78.960 18 Se 0.56590581756977 0.68346809919752 0.58232298830069 78.960 19 Se 0.65235194590051 0.30360821631983 0.24127886851398 78.960 20 Se 0.34764805409949 0.30360821631983 0.25872113148602 78.960 21 Se 0.34764805409949 0.69639178368017 0.75872113148602 78.960 22 Se 0.65235194590051 0.69639178368017 0.74127886851398 78.960 23 Se 0.90693852974054 0.89619683607340 0.84006781014227 78.960 24 Se 0.09306147025946 0.89619683607340 0.65993218985773 78.960 25 Se 0.09306147025946 0.10380316392660 0.15993218985773 78.960 26 Se 0.90693852974054 0.10380316392660 0.34006781014227 78.960 27 Se 0.00000000000000 0.39404118592748 0.25000000000000 78.960 28 Se 0.00000000000000 0.60595881407252 0.75000000000000 78.960 29 Se 0.88023785142580 0.31181409526769 0.05107358060361 78.960 30 Se 0.11976214857420 0.31181409526769 0.44892641939639 78.960 31 Se 0.43409418243023 0.31653190080248 0.41767701169930 78.960 32 Se 0.88023785142580 0.68818590473231 0.55107358060361 78.960 33 Au 0.00000000000000 0.00000000000000 0.00000000000000 196.967 34 Au 0.00000000000000 0.00000000000000 0.50000000000000 196.967-------------------------------- supercell ---------------------------------Lattice vectors: a 14.661175060343497 0.000000000000000 0.000000000000000 b 0.000000000000000 14.905406039999997 0.000000000000000 c -0.983556240302970 0.000000000000000 13.198814893037266Atomic positions (fractional): 1 K 0.22717726189317 0.26687283218119 0.34670171643636 39.098 > 1 2 K 0.22717726189317 0.60020616551452 0.34670171643636 39.098 > 1 3 K 0.22717726189317 0.93353949884786 0.34670171643636 39.098 > 1 4 K 0.77282273810683 0.26687283218119 0.15329828356364 39.098 > 4 5 K 0.77282273810683 0.60020616551452 0.15329828356364 39.098 > 4 6 K 0.77282273810683 0.93353949884786 0.15329828356364 39.098 > 4 7 K 0.50000000000000 0.27393894058553 0.25000000000000 39.098 > 7 8 K 0.50000000000000 0.60727227391886 0.25000000000000 39.098 > 7 9 K 0.50000000000000 0.94060560725220 0.25000000000000 39.098 > 7 10 K 0.50000000000000 0.05939439274780 0.75000000000000 39.098 > 10 11 K 0.50000000000000 0.39272772608114 0.75000000000000 39.098 > 10 12 K 0.50000000000000 0.72606105941447 0.75000000000000 39.098 > 10 13 K 0.77282273810683 0.06646050115214 0.65329828356364 39.098 > 13 14 K 0.77282273810683 0.39979383448548 0.65329828356364 39.098 > 13 15 K 0.77282273810683 0.73312716781881 0.65329828356364 39.098 > 13 16 K 0.22717726189317 0.06646050115214 0.84670171643636 39.098 > 16 17 K 0.22717726189317 0.39979383448548 0.84670171643636 39.098 > 16 18 K 0.22717726189317 0.73312716781881 0.84670171643636 39.098 > 16 19 Se 0.11976214857420 0.22939530157744 0.94892641939639 78.960 > 19 20 Se 0.11976214857420 0.56272863491077 0.94892641939639 78.960 > 19 21 Se 0.11976214857420 0.89606196824410 0.94892641939639 78.960 > 19 22 Se 0.76592704950963 0.12309905438764 0.91392300283522 78.960 > 22 23 Se 0.76592704950963 0.45643238772097 0.91392300283522 78.960 > 22 24 Se 0.76592704950963 0.78976572105431 0.91392300283522 78.960 > 22 25 Se 0.76592704950963 0.21023427894569 0.41392300283522 78.960 > 25 26 Se 0.76592704950963 0.54356761227903 0.41392300283522 78.960 > 25 27 Se 0.76592704950963 0.87690094561236 0.41392300283522 78.960 > 25 28 Se 0.23407295049037 0.21023427894569 0.08607699716478 78.960 > 28 29 Se 0.23407295049037 0.54356761227903 0.08607699716478 78.960 > 28 30 Se 0.23407295049037 0.87690094561236 0.08607699716478 78.960 > 28 31 Se 0.64291454436618 0.02644079206291 0.95568319139475 78.960 > 31 32 Se 0.64291454436618 0.35977412539624 0.95568319139475 78.960 > 31 33 Se 0.64291454436618 0.69310745872957 0.95568319139475 78.960 > 31 34 Se 0.35708545563382 0.02644079206291 0.54431680860525 78.960 > 34 35 Se 0.35708545563382 0.35977412539624 0.54431680860525 78.960 > 34 36 Se 0.35708545563382 0.69310745872957 0.54431680860525 78.960 > 34 37 Se 0.35708545563382 0.30689254127043 0.04431680860525 78.960 > 37 38 Se 0.35708545563382 0.64022587460376 0.04431680860525 78.960 > 37 39 Se 0.35708545563382 0.97355920793709 0.04431680860525 78.960 > 37 40 Se 0.64291454436618 0.30689254127043 0.45568319139475 78.960 > 40 41 Se 0.64291454436618 0.64022587460376 0.45568319139475 78.960 > 40 42 Se 0.64291454436618 0.97355920793709 0.45568319139475 78.960 > 40 43 Se 0.56590581756977 0.10551063360083 0.08232298830069 78.960 > 43 44 Se 0.56590581756977 0.43884396693416 0.08232298830069 78.960 > 43 45 Se 0.56590581756977 0.77217730026749 0.08232298830069 78.960 > 43 46 Se 0.23407295049037 0.12309905438764 0.58607699716478 78.960 > 46 47 Se 0.23407295049037 0.45643238772097 0.58607699716478 78.960 > 46 48 Se 0.23407295049037 0.78976572105431 0.58607699716478 78.960 > 46 49 Se 0.43409418243023 0.22782269973251 0.91767701169931 78.960 > 49 50 Se 0.43409418243023 0.56115603306584 0.91767701169931 78.960 > 49 51 Se 0.43409418243023 0.89448936639917 0.91767701169931 78.960 > 49 52 Se 0.56590581756977 0.22782269973251 0.58232298830069 78.960 > 52 53 Se 0.56590581756977 0.56115603306584 0.58232298830069 78.960 > 52 54 Se 0.56590581756977 0.89448936639917 0.58232298830069 78.960 > 52 55 Se 0.65235194590051 0.10120273877328 0.24127886851398 78.960 > 55 56 Se 0.65235194590051 0.43453607210661 0.24127886851398 78.960 > 55 57 Se 0.65235194590051 0.76786940543994 0.24127886851398 78.960 > 55 58 Se 0.34764805409949 0.10120273877328 0.25872113148602 78.960 > 58 59 Se 0.34764805409949 0.43453607210661 0.25872113148602 78.960 > 58 60 Se 0.34764805409949 0.76786940543994 0.25872113148602 78.960 > 58 61 Se 0.34764805409949 0.23213059456006 0.75872113148602 78.960 > 61 62 Se 0.34764805409949 0.56546392789339 0.75872113148602 78.960 > 61 63 Se 0.34764805409949 0.89879726122672 0.75872113148602 78.960 > 61 64 Se 0.65235194590051 0.23213059456006 0.74127886851398 78.960 > 64 65 Se 0.65235194590051 0.56546392789339 0.74127886851398 78.960 > 64 66 Se 0.65235194590051 0.89879726122672 0.74127886851398 78.960 > 64 67 Se 0.90693852974054 0.29873227869113 0.84006781014227 78.960 > 67 68 Se 0.90693852974054 0.63206561202447 0.84006781014227 78.960 > 67 69 Se 0.90693852974054 0.96539894535780 0.84006781014227 78.960 > 67 70 Se 0.09306147025946 0.29873227869113 0.65993218985773 78.960 > 70 71 Se 0.09306147025946 0.63206561202447 0.65993218985773 78.960 > 70 72 Se 0.09306147025946 0.96539894535780 0.65993218985773 78.960 > 70 73 Se 0.09306147025946 0.03460105464220 0.15993218985773 78.960 > 73 74 Se 0.09306147025946 0.36793438797553 0.15993218985773 78.960 > 73 75 Se 0.09306147025946 0.70126772130887 0.15993218985773 78.960 > 73 76 Se 0.90693852974054 0.03460105464220 0.34006781014227 78.960 > 76 77 Se 0.90693852974054 0.36793438797553 0.34006781014227 78.960 > 76 78 Se 0.90693852974054 0.70126772130887 0.34006781014227 78.960 > 76 79 Se 0.00000000000000 0.13134706197583 0.25000000000000 78.960 > 79 80 Se 0.00000000000000 0.46468039530916 0.25000000000000 78.960 > 79 81 Se 0.00000000000000 0.79801372864249 0.25000000000000 78.960 > 79 82 Se 0.00000000000000 0.20198627135751 0.75000000000000 78.960 > 82 83 Se 0.00000000000000 0.53531960469084 0.75000000000000 78.960 > 82 84 Se 0.00000000000000 0.86865293802417 0.75000000000000 78.960 > 82 85 Se 0.88023785142580 0.10393803175590 0.05107358060361 78.960 > 85 86 Se 0.88023785142580 0.43727136508923 0.05107358060361 78.960 > 85 87 Se 0.88023785142580 0.77060469842256 0.05107358060361 78.960 > 85 88 Se 0.11976214857420 0.10393803175590 0.44892641939639 78.960 > 88 89 Se 0.11976214857420 0.43727136508923 0.44892641939639 78.960 > 88 90 Se 0.11976214857420 0.77060469842256 0.44892641939639 78.960 > 88 91 Se 0.43409418243023 0.10551063360083 0.41767701169930 78.960 > 91 92 Se 0.43409418243023 0.43884396693416 0.41767701169930 78.960 > 91 93 Se 0.43409418243023 0.77217730026749 0.41767701169930 78.960 > 91 94 Se 0.88023785142580 0.22939530157744 0.55107358060361 78.960 > 94 95 Se 0.88023785142580 0.56272863491077 0.55107358060361 78.960 > 94 96 Se 0.88023785142580 0.89606196824410 0.55107358060361 78.960 > 94 97 Au 0.00000000000000 0.00000000000000 0.00000000000000 196.967 > 97 98 Au 0.00000000000000 0.33333333333333 0.00000000000000 196.967 > 97 99 Au 0.00000000000000 0.66666666666667 0.00000000000000 196.967 > 97 100 Au 0.00000000000000 0.00000000000000 0.50000000000000 196.967 > 100 101 Au 0.00000000000000 0.33333333333333 0.50000000000000 196.967 > 100 102 Au 0.00000000000000 0.66666666666667 0.50000000000000 196.967 > 100----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 10.3837940 0.0000000 1.1346390 0.0000000 7.2068083 0.0000000 1.1346354 0.0000000 13.5601951-------------------------- Born effective charges -------------------------- 1 K 1.1341125 0.0361509 -0.0028472 0.0505023 1.3799135 -0.0975382 -0.0786164 -0.0935529 1.3507607 2 K 1.1341125 -0.0361509 -0.0028472 -0.0505023 1.3799135 0.0975382 -0.0786164 0.0935529 1.3507607 3 K 1.4524137 0.0000000 -0.1556477 0.0000000 1.3304502 0.0000000 0.2109312 0.0000000 1.2442685 4 K 1.4524137 0.0000000 -0.1556477 0.0000000 1.3304502 0.0000000 0.2109312 0.0000000 1.2442685 5 K 1.1341125 0.0361509 -0.0028472 0.0505023 1.3799135 -0.0975382 -0.0786164 -0.0935529 1.3507607 6 K 1.1341125 -0.0361509 -0.0028472 -0.0505023 1.3799135 0.0975382 -0.0786164 0.0935529 1.3507607 7 Se -0.5607923 0.7392959 1.0881282 0.4088304 -1.0579555 0.0663422 1.3632310 0.5142509 1.1387164 8 Se -0.1221788 0.5049271 0.3843698 0.5026566 0.5651177 -0.6377530 0.2089781 -0.9590514 -0.1583547 9 Se -0.1221788 -0.5049271 0.3843698 -0.5026566 0.5651177 0.6377530 0.2089781 0.9590514 -0.1583547 10 Se -0.1221788 0.5049271 0.3843698 0.5026566 0.5651177 -0.6377530 0.2089781 -0.9590514 -0.1583547 11 Se 0.6785489 0.0482108 -0.5828315 -0.0580907 -0.1409943 0.7135451 -0.3993633 0.8469929 0.8190946 12 Se 0.6785489 -0.0482108 -0.5828315 0.0580907 -0.1409943 -0.7135451 -0.3993633 -0.8469929 0.8190946 13 Se 0.6785489 0.0482108 -0.5828315 -0.0580907 -0.1409943 0.7135451 -0.3993633 0.8469929 0.8190946 14 Se 0.6785489 -0.0482108 -0.5828315 0.0580907 -0.1409943 -0.7135451 -0.3993633 -0.8469929 0.8190946 15 Se -0.6175006 -0.2180111 0.2511427 -0.1621269 -0.6285753 -0.2721828 0.3351479 -0.7495065 0.4467107 16 Se -0.1221788 -0.5049271 0.3843698 -0.5026566 0.5651177 0.6377530 0.2089781 0.9590514 -0.1583547 17 Se -0.6175006 -0.2180111 0.2511427 -0.1621269 -0.6285753 -0.2721828 0.3351479 -0.7495065 0.4467107 18 Se -0.6175006 0.2180111 0.2511427 0.1621269 -0.6285753 0.2721828 0.3351479 0.7495065 0.4467107 19 Se -1.1672824 0.3229040 0.0479131 0.1059008 -0.8563680 0.0877307 -0.6071021 0.5040910 -2.7174695 20 Se -1.1672824 -0.3229040 0.0479131 -0.1059008 -0.8563680 -0.0877307 -0.6071021 -0.5040910 -2.7174695 21 Se -1.1672824 0.3229040 0.0479131 0.1059008 -0.8563680 0.0877307 -0.6071021 0.5040910 -2.7174695 22 Se -1.1672824 -0.3229040 0.0479131 -0.1059008 -0.8563680 -0.0877307 -0.6071021 -0.5040910 -2.7174695 23 Se -0.2323282 -0.9161032 -0.4353681 -0.9837735 -0.1096115 0.4373137 -0.7795385 0.7986897 -1.1615224 24 Se -0.2323282 0.9161032 -0.4353681 0.9837735 -0.1096115 -0.4373137 -0.7795385 -0.7986897 -1.1615224 25 Se -0.2323282 -0.9161032 -0.4353681 -0.9837735 -0.1096115 0.4373137 -0.7795385 0.7986897 -1.1615224 26 Se -0.2323282 0.9161032 -0.4353681 0.9837735 -0.1096115 -0.4373137 -0.7795385 -0.7986897 -1.1615224 27 Se -0.2381225 0.0000000 -1.4055409 0.0000000 -0.0325783 0.0000000 -1.1575099 0.0000000 -1.3716473 28 Se -0.2381225 0.0000000 -1.4055409 0.0000000 -0.0325783 0.0000000 -1.1575099 0.0000000 -1.3716473 29 Se -0.5607923 0.7392959 1.0881282 0.4088304 -1.0579555 0.0663422 1.3632310 0.5142509 1.1387164 30 Se -0.5607923 -0.7392959 1.0881282 -0.4088304 -1.0579555 -0.0663422 1.3632310 -0.5142509 1.1387164 31 Se -0.6175006 0.2180111 0.2511427 0.1621269 -0.6285753 0.2721828 0.3351479 0.7495065 0.4467107 32 Se -0.5607923 -0.7392959 1.0881282 -0.4088304 -1.0579555 -0.0663422 1.3632310 -0.5142509 1.1387164 33 Au 0.5605505 -0.5238322 0.0601747 -0.1882063 0.3990747 0.3544700 0.8611051 -0.1051645 0.6915074 34 Au 0.5605505 0.5238322 0.0601747 0.1882063 0.3990747 -0.3544700 0.8611051 0.1051645 0.6915074----------------------------------------------------------------------------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] [-0.0007 0.0000 0.0100] [ 0.0007 0.0000 -0.0100]Computing fc3[ 7, 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] [-0.0007 0.0000 0.0100] [ 0.0007 0.0000 -0.0100]Computing fc3[ 19, 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] [-0.0007 0.0000 0.0100] [ 0.0007 0.0000 -0.0100]Computing fc3[ 22, 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] [-0.0007 0.0000 0.0100] [ 0.0007 0.0000 -0.0100]Computing fc3[ 31, 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] [-0.0007 0.0000 0.0100] [ 0.0007 0.0000 -0.0100]Computing fc3[ 43, 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] [-0.0007 0.0000 0.0100] [ 0.0007 0.0000 -0.0100]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] [-0.0007 0.0000 0.0100] [ 0.0007 0.0000 -0.0100]Computing fc3[ 67, 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] [-0.0007 0.0000 0.0100] [ 0.0007 0.0000 -0.0100]Computing fc3[ 79, 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] [-0.0007 0.0000 0.0100] [ 0.0007 0.0000 -0.0100]Computing fc3[ 97, 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] [-0.0007 0.0000 0.0100] [ 0.0007 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: 0.00000000 (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): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency 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 07:28:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 07:28:09]-------------------------Compiled with OpenMP support (max 32 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [1 3 1]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2/c (13)------------------------------ primitive cell ------------------------------Lattice vectors: a 14.661175060343497 0.000000000000000 0.000000000000000 b 0.000000000000000 4.968468679999999 0.000000000000000 c -0.983556240302970 0.000000000000000 13.198814893037266Atomic positions (fractional): 1 K 0.22717726189317 0.80061849654357 0.34670171643636 39.098 2 K 0.77282273810683 0.80061849654357 0.15329828356364 39.098 3 K 0.50000000000000 0.82181682175659 0.25000000000000 39.098 4 K 0.50000000000000 0.17818317824341 0.75000000000000 39.098 5 K 0.77282273810683 0.19938150345643 0.65329828356364 39.098 6 K 0.22717726189317 0.19938150345643 0.84670171643636 39.098 7 Se 0.11976214857420 0.68818590473231 0.94892641939639 78.960 8 Se 0.76592704950963 0.36929716316292 0.91392300283522 78.960 9 Se 0.76592704950963 0.63070283683708 0.41392300283522 78.960 10 Se 0.23407295049037 0.63070283683708 0.08607699716478 78.960 11 Se 0.64291454436618 0.07932237618872 0.95568319139475 78.960 12 Se 0.35708545563382 0.07932237618872 0.54431680860525 78.960 13 Se 0.35708545563382 0.92067762381128 0.04431680860525 78.960 14 Se 0.64291454436618 0.92067762381128 0.45568319139475 78.960 15 Se 0.56590581756977 0.31653190080248 0.08232298830069 78.960 16 Se 0.23407295049037 0.36929716316292 0.58607699716478 78.960 17 Se 0.43409418243023 0.68346809919752 0.91767701169931 78.960 18 Se 0.56590581756977 0.68346809919752 0.58232298830069 78.960 19 Se 0.65235194590051 0.30360821631983 0.24127886851398 78.960 20 Se 0.34764805409949 0.30360821631983 0.25872113148602 78.960 21 Se 0.34764805409949 0.69639178368017 0.75872113148602 78.960 22 Se 0.65235194590051 0.69639178368017 0.74127886851398 78.960 23 Se 0.90693852974054 0.89619683607340 0.84006781014227 78.960 24 Se 0.09306147025946 0.89619683607340 0.65993218985773 78.960 25 Se 0.09306147025946 0.10380316392660 0.15993218985773 78.960 26 Se 0.90693852974054 0.10380316392660 0.34006781014227 78.960 27 Se 0.00000000000000 0.39404118592748 0.25000000000000 78.960 28 Se 0.00000000000000 0.60595881407252 0.75000000000000 78.960 29 Se 0.88023785142580 0.31181409526769 0.05107358060361 78.960 30 Se 0.11976214857420 0.31181409526769 0.44892641939639 78.960 31 Se 0.43409418243023 0.31653190080248 0.41767701169930 78.960 32 Se 0.88023785142580 0.68818590473231 0.55107358060361 78.960 33 Au 0.00000000000000 0.00000000000000 0.00000000000000 196.967 34 Au 0.00000000000000 0.00000000000000 0.50000000000000 196.967-------------------------------- supercell ---------------------------------Lattice vectors: a 14.661175060343497 0.000000000000000 0.000000000000000 b 0.000000000000000 14.905406039999997 0.000000000000000 c -0.983556240302970 0.000000000000000 13.198814893037266Atomic positions (fractional): 1 K 0.22717726189317 0.26687283218119 0.34670171643636 39.098 > 1 2 K 0.22717726189317 0.60020616551452 0.34670171643636 39.098 > 1 3 K 0.22717726189317 0.93353949884786 0.34670171643636 39.098 > 1 4 K 0.77282273810683 0.26687283218119 0.15329828356364 39.098 > 4 5 K 0.77282273810683 0.60020616551452 0.15329828356364 39.098 > 4 6 K 0.77282273810683 0.93353949884786 0.15329828356364 39.098 > 4 7 K 0.50000000000000 0.27393894058553 0.25000000000000 39.098 > 7 8 K 0.50000000000000 0.60727227391886 0.25000000000000 39.098 > 7 9 K 0.50000000000000 0.94060560725220 0.25000000000000 39.098 > 7 10 K 0.50000000000000 0.05939439274780 0.75000000000000 39.098 > 10 11 K 0.50000000000000 0.39272772608114 0.75000000000000 39.098 > 10 12 K 0.50000000000000 0.72606105941447 0.75000000000000 39.098 > 10 13 K 0.77282273810683 0.06646050115214 0.65329828356364 39.098 > 13 14 K 0.77282273810683 0.39979383448548 0.65329828356364 39.098 > 13 15 K 0.77282273810683 0.73312716781881 0.65329828356364 39.098 > 13 16 K 0.22717726189317 0.06646050115214 0.84670171643636 39.098 > 16 17 K 0.22717726189317 0.39979383448548 0.84670171643636 39.098 > 16 18 K 0.22717726189317 0.73312716781881 0.84670171643636 39.098 > 16 19 Se 0.11976214857420 0.22939530157744 0.94892641939639 78.960 > 19 20 Se 0.11976214857420 0.56272863491077 0.94892641939639 78.960 > 19 21 Se 0.11976214857420 0.89606196824410 0.94892641939639 78.960 > 19 22 Se 0.76592704950963 0.12309905438764 0.91392300283522 78.960 > 22 23 Se 0.76592704950963 0.45643238772097 0.91392300283522 78.960 > 22 24 Se 0.76592704950963 0.78976572105431 0.91392300283522 78.960 > 22 25 Se 0.76592704950963 0.21023427894569 0.41392300283522 78.960 > 25 26 Se 0.76592704950963 0.54356761227903 0.41392300283522 78.960 > 25 27 Se 0.76592704950963 0.87690094561236 0.41392300283522 78.960 > 25 28 Se 0.23407295049037 0.21023427894569 0.08607699716478 78.960 > 28 29 Se 0.23407295049037 0.54356761227903 0.08607699716478 78.960 > 28 30 Se 0.23407295049037 0.87690094561236 0.08607699716478 78.960 > 28 31 Se 0.64291454436618 0.02644079206291 0.95568319139475 78.960 > 31 32 Se 0.64291454436618 0.35977412539624 0.95568319139475 78.960 > 31 33 Se 0.64291454436618 0.69310745872957 0.95568319139475 78.960 > 31 34 Se 0.35708545563382 0.02644079206291 0.54431680860525 78.960 > 34 35 Se 0.35708545563382 0.35977412539624 0.54431680860525 78.960 > 34 36 Se 0.35708545563382 0.69310745872957 0.54431680860525 78.960 > 34 37 Se 0.35708545563382 0.30689254127043 0.04431680860525 78.960 > 37 38 Se 0.35708545563382 0.64022587460376 0.04431680860525 78.960 > 37 39 Se 0.35708545563382 0.97355920793709 0.04431680860525 78.960 > 37 40 Se 0.64291454436618 0.30689254127043 0.45568319139475 78.960 > 40 41 Se 0.64291454436618 0.64022587460376 0.45568319139475 78.960 > 40 42 Se 0.64291454436618 0.97355920793709 0.45568319139475 78.960 > 40 43 Se 0.56590581756977 0.10551063360083 0.08232298830069 78.960 > 43 44 Se 0.56590581756977 0.43884396693416 0.08232298830069 78.960 > 43 45 Se 0.56590581756977 0.77217730026749 0.08232298830069 78.960 > 43 46 Se 0.23407295049037 0.12309905438764 0.58607699716478 78.960 > 46 47 Se 0.23407295049037 0.45643238772097 0.58607699716478 78.960 > 46 48 Se 0.23407295049037 0.78976572105431 0.58607699716478 78.960 > 46 49 Se 0.43409418243023 0.22782269973251 0.91767701169931 78.960 > 49 50 Se 0.43409418243023 0.56115603306584 0.91767701169931 78.960 > 49 51 Se 0.43409418243023 0.89448936639917 0.91767701169931 78.960 > 49 52 Se 0.56590581756977 0.22782269973251 0.58232298830069 78.960 > 52 53 Se 0.56590581756977 0.56115603306584 0.58232298830069 78.960 > 52 54 Se 0.56590581756977 0.89448936639917 0.58232298830069 78.960 > 52 55 Se 0.65235194590051 0.10120273877328 0.24127886851398 78.960 > 55 56 Se 0.65235194590051 0.43453607210661 0.24127886851398 78.960 > 55 57 Se 0.65235194590051 0.76786940543994 0.24127886851398 78.960 > 55 58 Se 0.34764805409949 0.10120273877328 0.25872113148602 78.960 > 58 59 Se 0.34764805409949 0.43453607210661 0.25872113148602 78.960 > 58 60 Se 0.34764805409949 0.76786940543994 0.25872113148602 78.960 > 58 61 Se 0.34764805409949 0.23213059456006 0.75872113148602 78.960 > 61 62 Se 0.34764805409949 0.56546392789339 0.75872113148602 78.960 > 61 63 Se 0.34764805409949 0.89879726122672 0.75872113148602 78.960 > 61 64 Se 0.65235194590051 0.23213059456006 0.74127886851398 78.960 > 64 65 Se 0.65235194590051 0.56546392789339 0.74127886851398 78.960 > 64 66 Se 0.65235194590051 0.89879726122672 0.74127886851398 78.960 > 64 67 Se 0.90693852974054 0.29873227869113 0.84006781014227 78.960 > 67 68 Se 0.90693852974054 0.63206561202447 0.84006781014227 78.960 > 67 69 Se 0.90693852974054 0.96539894535780 0.84006781014227 78.960 > 67 70 Se 0.09306147025946 0.29873227869113 0.65993218985773 78.960 > 70 71 Se 0.09306147025946 0.63206561202447 0.65993218985773 78.960 > 70 72 Se 0.09306147025946 0.96539894535780 0.65993218985773 78.960 > 70 73 Se 0.09306147025946 0.03460105464220 0.15993218985773 78.960 > 73 74 Se 0.09306147025946 0.36793438797553 0.15993218985773 78.960 > 73 75 Se 0.09306147025946 0.70126772130887 0.15993218985773 78.960 > 73 76 Se 0.90693852974054 0.03460105464220 0.34006781014227 78.960 > 76 77 Se 0.90693852974054 0.36793438797553 0.34006781014227 78.960 > 76 78 Se 0.90693852974054 0.70126772130887 0.34006781014227 78.960 > 76 79 Se 0.00000000000000 0.13134706197583 0.25000000000000 78.960 > 79 80 Se 0.00000000000000 0.46468039530916 0.25000000000000 78.960 > 79 81 Se 0.00000000000000 0.79801372864249 0.25000000000000 78.960 > 79 82 Se 0.00000000000000 0.20198627135751 0.75000000000000 78.960 > 82 83 Se 0.00000000000000 0.53531960469084 0.75000000000000 78.960 > 82 84 Se 0.00000000000000 0.86865293802417 0.75000000000000 78.960 > 82 85 Se 0.88023785142580 0.10393803175590 0.05107358060361 78.960 > 85 86 Se 0.88023785142580 0.43727136508923 0.05107358060361 78.960 > 85 87 Se 0.88023785142580 0.77060469842256 0.05107358060361 78.960 > 85 88 Se 0.11976214857420 0.10393803175590 0.44892641939639 78.960 > 88 89 Se 0.11976214857420 0.43727136508923 0.44892641939639 78.960 > 88 90 Se 0.11976214857420 0.77060469842256 0.44892641939639 78.960 > 88 91 Se 0.43409418243023 0.10551063360083 0.41767701169930 78.960 > 91 92 Se 0.43409418243023 0.43884396693416 0.41767701169930 78.960 > 91 93 Se 0.43409418243023 0.77217730026749 0.41767701169930 78.960 > 91 94 Se 0.88023785142580 0.22939530157744 0.55107358060361 78.960 > 94 95 Se 0.88023785142580 0.56272863491077 0.55107358060361 78.960 > 94 96 Se 0.88023785142580 0.89606196824410 0.55107358060361 78.960 > 94 97 Au 0.00000000000000 0.00000000000000 0.00000000000000 196.967 > 97 98 Au 0.00000000000000 0.33333333333333 0.00000000000000 196.967 > 97 99 Au 0.00000000000000 0.66666666666667 0.00000000000000 196.967 > 97 100 Au 0.00000000000000 0.00000000000000 0.50000000000000 196.967 > 100 101 Au 0.00000000000000 0.33333333333333 0.50000000000000 196.967 > 100 102 Au 0.00000000000000 0.66666666666667 0.50000000000000 196.967 > 100----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 10.3837940 0.0000000 1.1346390 0.0000000 7.2068083 0.0000000 1.1346354 0.0000000 13.5601951-------------------------- Born effective charges -------------------------- 1 K 1.1341125 0.0361509 -0.0028472 0.0505023 1.3799135 -0.0975382 -0.0786164 -0.0935529 1.3507607 2 K 1.1341125 -0.0361509 -0.0028472 -0.0505023 1.3799135 0.0975382 -0.0786164 0.0935529 1.3507607 3 K 1.4524137 0.0000000 -0.1556477 0.0000000 1.3304502 0.0000000 0.2109312 0.0000000 1.2442685 4 K 1.4524137 0.0000000 -0.1556477 0.0000000 1.3304502 0.0000000 0.2109312 0.0000000 1.2442685 5 K 1.1341125 0.0361509 -0.0028472 0.0505023 1.3799135 -0.0975382 -0.0786164 -0.0935529 1.3507607 6 K 1.1341125 -0.0361509 -0.0028472 -0.0505023 1.3799135 0.0975382 -0.0786164 0.0935529 1.3507607 7 Se -0.5607923 0.7392959 1.0881282 0.4088304 -1.0579555 0.0663422 1.3632310 0.5142509 1.1387164 8 Se -0.1221788 0.5049271 0.3843698 0.5026566 0.5651177 -0.6377530 0.2089781 -0.9590514 -0.1583547 9 Se -0.1221788 -0.5049271 0.3843698 -0.5026566 0.5651177 0.6377530 0.2089781 0.9590514 -0.1583547 10 Se -0.1221788 0.5049271 0.3843698 0.5026566 0.5651177 -0.6377530 0.2089781 -0.9590514 -0.1583547 11 Se 0.6785489 0.0482108 -0.5828315 -0.0580907 -0.1409943 0.7135451 -0.3993633 0.8469929 0.8190946 12 Se 0.6785489 -0.0482108 -0.5828315 0.0580907 -0.1409943 -0.7135451 -0.3993633 -0.8469929 0.8190946 13 Se 0.6785489 0.0482108 -0.5828315 -0.0580907 -0.1409943 0.7135451 -0.3993633 0.8469929 0.8190946 14 Se 0.6785489 -0.0482108 -0.5828315 0.0580907 -0.1409943 -0.7135451 -0.3993633 -0.8469929 0.8190946 15 Se -0.6175006 -0.2180111 0.2511427 -0.1621269 -0.6285753 -0.2721828 0.3351479 -0.7495065 0.4467107 16 Se -0.1221788 -0.5049271 0.3843698 -0.5026566 0.5651177 0.6377530 0.2089781 0.9590514 -0.1583547 17 Se -0.6175006 -0.2180111 0.2511427 -0.1621269 -0.6285753 -0.2721828 0.3351479 -0.7495065 0.4467107 18 Se -0.6175006 0.2180111 0.2511427 0.1621269 -0.6285753 0.2721828 0.3351479 0.7495065 0.4467107 19 Se -1.1672824 0.3229040 0.0479131 0.1059008 -0.8563680 0.0877307 -0.6071021 0.5040910 -2.7174695 20 Se -1.1672824 -0.3229040 0.0479131 -0.1059008 -0.8563680 -0.0877307 -0.6071021 -0.5040910 -2.7174695 21 Se -1.1672824 0.3229040 0.0479131 0.1059008 -0.8563680 0.0877307 -0.6071021 0.5040910 -2.7174695 22 Se -1.1672824 -0.3229040 0.0479131 -0.1059008 -0.8563680 -0.0877307 -0.6071021 -0.5040910 -2.7174695 23 Se -0.2323282 -0.9161032 -0.4353681 -0.9837735 -0.1096115 0.4373137 -0.7795385 0.7986897 -1.1615224 24 Se -0.2323282 0.9161032 -0.4353681 0.9837735 -0.1096115 -0.4373137 -0.7795385 -0.7986897 -1.1615224 25 Se -0.2323282 -0.9161032 -0.4353681 -0.9837735 -0.1096115 0.4373137 -0.7795385 0.7986897 -1.1615224 26 Se -0.2323282 0.9161032 -0.4353681 0.9837735 -0.1096115 -0.4373137 -0.7795385 -0.7986897 -1.1615224 27 Se -0.2381225 0.0000000 -1.4055409 0.0000000 -0.0325783 0.0000000 -1.1575099 0.0000000 -1.3716473 28 Se -0.2381225 0.0000000 -1.4055409 0.0000000 -0.0325783 0.0000000 -1.1575099 0.0000000 -1.3716473 29 Se -0.5607923 0.7392959 1.0881282 0.4088304 -1.0579555 0.0663422 1.3632310 0.5142509 1.1387164 30 Se -0.5607923 -0.7392959 1.0881282 -0.4088304 -1.0579555 -0.0663422 1.3632310 -0.5142509 1.1387164 31 Se -0.6175006 0.2180111 0.2511427 0.1621269 -0.6285753 0.2721828 0.3351479 0.7495065 0.4467107 32 Se -0.5607923 -0.7392959 1.0881282 -0.4088304 -1.0579555 -0.0663422 1.3632310 -0.5142509 1.1387164 33 Au 0.5605505 -0.5238322 0.0601747 -0.1882063 0.3990747 0.3544700 0.8611051 -0.1051645 0.6915074 34 Au 0.5605505 0.5238322 0.0601747 0.1882063 0.3990747 -0.3544700 0.8611051 0.1051645 0.6915074----------------------------------------------------------------------------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 (xx) -0.00000000 (xx) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 3 10 4 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.42, Number of G-points: 291, Lambda: 0.14Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/42) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 42Calculating Gamma of ph-isotope with tetrahedron methodFrequency 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 0.692 ( 0.000 0.000 0.000) 0.000 0.783 ( 0.000 0.000 0.000) 0.000 0.812 ( 0.000 0.000 0.000) 0.000 0.850 ( 0.000 0.000 0.000) 0.000 1.012 ( 0.000 0.000 0.000) 0.000 1.043 ( 0.000 0.000 0.000) 0.000 1.072 ( 0.000 0.000 0.000) 0.000 1.129 ( 0.000 0.000 0.000) 0.000 1.141 ( 0.000 0.000 0.000) 0.000 1.145 ( 0.000 0.000 0.000) 0.000 1.213 ( 0.000 0.000 0.000) 0.000 1.247 ( 0.000 0.000 0.000) 0.000 1.307 ( 0.000 0.000 0.000) 0.000 1.414 ( 0.000 0.000 0.000) 0.000 1.425 ( 0.000 0.000 0.000) 0.000 1.482 ( 0.000 0.000 0.000) 0.000 1.518 ( 0.000 0.000 0.000) 0.000 1.568 ( 0.000 0.000 0.000) 0.000 1.593 ( 0.000 0.000 0.000) 0.000 1.676 ( 0.000 0.000 0.000) 0.000 1.704 ( 0.000 0.000 0.000) 0.000 1.731 ( 0.000 0.000 0.000) 0.000 1.809 ( 0.000 0.000 0.000) 0.000 1.881 ( 0.000 0.000 0.000) 0.000 1.950 ( 0.000 0.000 0.000) 0.000 1.990 ( 0.000 0.000 0.000) 0.000 2.006 ( 0.000 0.000 0.000) 0.000 2.121 ( 0.000 0.000 0.000) 0.000 2.155 ( 0.000 0.000 0.000) 0.000 2.164 ( 0.000 0.000 0.000) 0.000 2.186 ( 0.000 0.000 0.000) 0.000 2.270 ( 0.000 0.000 0.000) 0.000 2.318 ( 0.000 0.000 0.000) 0.000 2.325 ( 0.000 0.000 0.000) 0.000 2.329 ( 0.000 0.000 0.000) 0.000 2.483 ( 0.000 0.000 0.000) 0.000 2.512 ( 0.000 0.000 0.000) 0.000 2.567 ( 0.000 0.000 0.000) 0.000 2.573 ( 0.000 0.000 0.000) 0.000 2.611 ( 0.000 0.000 0.000) 0.000 2.668 ( 0.000 0.000 0.000) 0.000 2.721 ( 0.000 0.000 0.000) 0.000 2.727 ( 0.000 0.000 0.000) 0.000 2.919 ( 0.000 0.000 0.000) 0.000 2.926 ( 0.000 0.000 0.000) 0.000 3.069 ( 0.000 0.000 0.000) 0.000 3.137 ( 0.000 0.000 0.000) 0.000 3.252 ( 0.000 0.000 0.000) 0.000 3.287 ( 0.000 0.000 0.000) 0.000 3.352 ( 0.000 0.000 0.000) 0.000 3.360 ( 0.000 0.000 0.000) 0.000 3.424 ( 0.000 0.000 0.000) 0.000 3.474 ( 0.000 0.000 0.000) 0.000 3.482 ( 0.000 0.000 0.000) 0.000 3.543 ( 0.000 0.000 0.000) 0.000 3.570 ( 0.000 0.000 0.000) 0.000 3.635 ( 0.000 0.000 0.000) 0.000 3.642 ( 0.000 0.000 0.000) 0.000 3.664 ( 0.000 0.000 0.000) 0.000 3.718 ( 0.000 0.000 0.000) 0.000 3.767 ( 0.000 0.000 0.000) 0.000 3.849 ( 0.000 0.000 0.000) 0.000 3.900 ( 0.000 0.000 0.000) 0.000 3.901 ( 0.000 0.000 0.000) 0.000 3.924 ( 0.000 0.000 0.000) 0.000 3.946 ( 0.000 0.000 0.000) 0.000 4.121 ( 0.000 0.000 0.000) 0.000 4.171 ( 0.000 0.000 0.000) 0.000 4.356 ( 0.000 0.000 0.000) 0.000 4.357 ( 0.000 0.000 0.000) 0.000 4.361 ( 0.000 0.000 0.000) 0.000 5.247 ( 0.000 0.000 0.000) 0.000 5.249 ( 0.000 0.000 0.000) 0.000 5.673 ( 0.000 0.000 0.000) 0.000 5.682 ( 0.000 0.000 0.000) 0.000 6.151 ( 0.000 0.000 0.000) 0.000 6.192 ( 0.000 0.000 0.000) 0.000 6.269 ( 0.000 0.000 0.000) 0.000 6.281 ( 0.000 0.000 0.000) 0.000 6.372 ( 0.000 0.000 0.000) 0.000 6.382 ( 0.000 0.000 0.000) 0.000 6.427 ( 0.000 0.000 0.000) 0.000 6.432 ( 0.000 0.000 0.000) 0.000 6.739 ( 0.000 0.000 0.000) 0.000 6.751 ( 0.000 0.000 0.000) 0.000 6.810 ( 0.000 0.000 0.000) 0.000 6.832 ( 0.000 0.000 0.000) 0.000 6.856 ( 0.000 0.000 0.000) 0.000 6.954 ( 0.000 0.000 0.000) 0.000 7.090 ( 0.000 0.000 0.000) 0.000 7.092 ( 0.000 0.000 0.000) 0.000 7.279 ( 0.000 0.000 0.000) 0.000 7.293 ( 0.000 0.000 0.000) 0.000 7.402 ( 0.000 0.000 0.000) 0.000 7.438 ( 0.000 0.000 0.000) 0.000 7.500 ( 0.000 0.000 0.000) 0.000 7.512 ( 0.000 0.000 0.000) 0.000 7.516 ( 0.000 0.000 0.000) 0.000 7.526 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/42) =======================q-point: ( 0.33 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 42Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.301 ( 13.356 0.000 -4.722) 14.166 0.350 ( 12.766 0.000 11.327) 17.067 0.495 ( 16.358 0.000 -2.734) 16.585 0.597 ( -11.627 0.000 3.663) 12.190 0.658 ( -3.210 0.000 1.083) 3.387 0.845 ( 0.586 0.000 1.261) 1.390 0.876 ( 0.952 0.000 4.730) 4.825 0.888 ( -5.757 0.000 3.828) 6.914 1.012 ( -5.317 0.000 -1.902) 5.647 1.035 ( -7.788 0.000 -1.811) 7.996 1.040 ( 1.740 0.000 -0.389) 1.783 1.113 ( -3.660 0.000 -1.125) 3.829 1.224 ( 2.718 0.000 1.309) 3.016 1.230 ( 2.196 0.000 -0.456) 2.243 1.277 ( 4.855 0.000 -1.335) 5.035 1.400 ( 1.434 0.000 -2.685) 3.044 1.415 ( -4.752 0.000 -0.103) 4.753 1.441 ( 5.476 0.000 3.277) 6.382 1.469 ( -4.670 0.000 -1.849) 5.023 1.529 ( 0.267 0.000 -2.988) 3.000 1.560 ( 4.318 0.000 -3.280) 5.423 1.633 ( -3.216 0.000 -0.577) 3.268 1.644 ( -2.067 0.000 0.613) 2.156 1.746 ( 4.254 0.000 -0.497) 4.283 1.774 ( 0.483 0.000 -0.734) 0.878 1.803 ( 0.329 0.000 -0.811) 0.875 1.888 ( 2.521 0.000 1.412) 2.889 1.984 ( -2.593 0.000 9.554) 9.900 1.999 ( -3.497 0.000 -0.657) 3.558 2.008 ( -4.266 0.000 -6.082) 7.429 2.060 ( -1.018 0.000 -0.409) 1.097 2.083 ( 3.819 0.000 5.045) 6.328 2.174 ( -0.934 0.000 -4.628) 4.722 2.188 ( -3.910 0.000 3.409) 5.187 2.252 ( 3.218 0.000 1.069) 3.391 2.317 ( 0.627 0.000 -0.607) 0.873 2.387 ( 3.278 0.000 3.307) 4.657 2.392 ( 1.703 0.000 0.256) 1.722 2.478 ( -0.185 0.000 -1.589) 1.599 2.489 ( -4.874 0.000 -0.830) 4.945 2.540 ( 1.284 0.000 1.101) 1.692 2.564 ( 0.369 0.000 -0.749) 0.835 2.604 ( -0.401 0.000 1.366) 1.423 2.684 ( -2.881 0.000 -2.693) 3.944 2.705 ( 1.617 0.000 -2.582) 3.047 2.750 ( 0.390 0.000 0.696) 0.798 2.920 ( 0.317 0.000 0.285) 0.426 2.999 ( 4.301 0.000 -0.270) 4.310 3.079 ( 0.380 0.000 2.032) 2.067 3.091 ( -2.959 0.000 0.035) 2.959 3.299 ( 1.289 0.000 1.622) 2.072 3.328 ( 3.155 0.000 -0.298) 3.169 3.365 ( 1.202 0.000 -3.266) 3.481 3.423 ( -0.308 0.000 -0.764) 0.824 3.426 ( 2.048 0.000 -0.883) 2.230 3.442 ( -2.532 0.000 2.564) 3.603 3.453 ( -1.525 0.000 -1.682) 2.270 3.530 ( -0.299 0.000 -0.151) 0.335 3.576 ( -1.702 0.000 1.479) 2.255 3.619 ( 0.143 0.000 -0.811) 0.824 3.652 ( 1.253 0.000 -0.484) 1.343 3.675 ( 0.863 0.000 -0.132) 0.873 3.727 ( -3.175 0.000 -0.336) 3.193 3.729 ( 0.602 0.000 0.865) 1.054 3.836 ( -0.681 0.000 2.669) 2.754 3.861 ( -1.640 0.000 -3.608) 3.963 3.880 ( -0.330 0.000 -0.780) 0.847 3.975 ( 1.052 0.000 0.522) 1.175 4.011 ( -0.565 0.000 -3.189) 3.239 4.127 ( 1.059 0.000 2.784) 2.979 4.221 ( 2.277 0.000 1.343) 2.643 4.329 ( -0.583 0.000 -1.283) 1.410 4.383 ( -1.652 0.000 -0.230) 1.668 4.395 ( 0.951 0.000 1.205) 1.535 5.247 ( -0.004 0.000 -0.007) 0.008 5.248 ( -0.041 0.000 -0.025) 0.048 5.674 ( 0.033 0.000 -0.012) 0.035 5.682 ( 0.001 0.000 -0.017) 0.017 6.184 ( 2.580 0.000 0.572) 2.642 6.210 ( 0.317 0.000 -0.542) 0.628 6.250 ( -2.496 0.000 -0.541) 2.554 6.264 ( -0.284 0.000 0.201) 0.348 6.358 ( -0.727 0.000 -0.075) 0.731 6.383 ( 0.025 0.000 0.067) 0.071 6.431 ( 0.013 0.000 0.011) 0.017 6.438 ( -0.092 0.000 0.962) 0.967 6.746 ( 0.486 0.000 -0.118) 0.500 6.783 ( 2.322 0.000 -0.011) 2.322 6.786 ( -1.084 0.000 -0.161) 1.096 6.834 ( -1.831 0.000 0.179) 1.840 6.849 ( 0.597 0.000 -0.173) 0.621 6.953 ( -0.042 0.000 -0.212) 0.217 7.097 ( 0.250 0.000 0.167) 0.301 7.103 ( 0.124 0.000 -0.234) 0.265 7.278 ( -0.063 0.000 -0.019) 0.066 7.292 ( -0.038 0.000 -0.084) 0.092 7.408 ( 0.372 0.000 -0.036) 0.373 7.449 ( 0.939 0.000 0.262) 0.975 7.479 ( -1.324 0.000 -0.117) 1.329 7.483 ( -1.071 0.000 0.401) 1.143 7.534 ( 0.297 0.000 -0.084) 0.308 7.542 ( 0.609 0.000 0.401) 0.730======================= Grid point 3 (3/42) =======================q-point: ( 0.00 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 35Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.111 ( 0.000 5.258 0.000) 5.258 0.313 ( 0.000 14.730 0.000) 14.730 0.396 ( 0.000 16.855 0.000) 16.855 0.655 ( 0.000 -3.006 0.000) 3.006 0.707 ( 0.000 -5.809 0.000) 5.809 0.757 ( 0.000 -3.552 0.000) 3.552 0.901 ( 0.000 4.178 0.000) 4.178 0.908 ( 0.000 -5.222 0.000) 5.222 1.061 ( 0.000 0.003 0.000) 0.003 1.068 ( 0.000 -1.675 0.000) 1.675 1.101 ( 0.000 0.395 0.000) 0.395 1.151 ( 0.000 1.640 0.000) 1.640 1.217 ( 0.000 3.158 0.000) 3.158 1.228 ( 0.000 2.331 0.000) 2.331 1.323 ( 0.000 1.347 0.000) 1.347 1.358 ( 0.000 2.781 0.000) 2.781 1.364 ( 0.000 -2.923 0.000) 2.923 1.380 ( 0.000 -2.280 0.000) 2.280 1.457 ( 0.000 -2.949 0.000) 2.949 1.537 ( 0.000 4.516 0.000) 4.516 1.541 ( 0.000 -1.413 0.000) 1.413 1.639 ( 0.000 1.135 0.000) 1.135 1.704 ( 0.000 -0.063 0.000) 0.063 1.715 ( 0.000 0.269 0.000) 0.269 1.730 ( 0.000 0.404 0.000) 0.404 1.800 ( 0.000 0.172 0.000) 0.172 1.868 ( 0.000 -0.960 0.000) 0.960 1.893 ( 0.000 -3.595 0.000) 3.595 1.965 ( 0.000 -3.974 0.000) 3.974 2.045 ( 0.000 1.675 0.000) 1.675 2.064 ( 0.000 -2.035 0.000) 2.035 2.119 ( 0.000 -2.742 0.000) 2.742 2.206 ( 0.000 -0.511 0.000) 0.511 2.215 ( 0.000 1.544 0.000) 1.544 2.269 ( 0.000 2.026 0.000) 2.026 2.297 ( 0.000 -2.139 0.000) 2.139 2.326 ( 0.000 0.528 0.000) 0.528 2.353 ( 0.000 1.819 0.000) 1.819 2.420 ( 0.000 -3.941 0.000) 3.941 2.448 ( 0.000 -3.090 0.000) 3.090 2.612 ( 0.000 1.320 0.000) 1.320 2.625 ( 0.000 3.520 0.000) 3.520 2.635 ( 0.000 1.792 0.000) 1.792 2.676 ( 0.000 0.197 0.000) 0.197 2.710 ( 0.000 -1.107 0.000) 1.107 2.730 ( 0.000 -0.141 0.000) 0.141 2.873 ( 0.000 -1.859 0.000) 1.859 2.981 ( 0.000 2.816 0.000) 2.816 3.048 ( 0.000 -2.306 0.000) 2.306 3.108 ( 0.000 -2.048 0.000) 2.048 3.280 ( 0.000 1.709 0.000) 1.709 3.297 ( 0.000 -0.265 0.000) 0.265 3.318 ( 0.000 -1.712 0.000) 1.712 3.338 ( 0.000 -1.072 0.000) 1.072 3.427 ( 0.000 -0.282 0.000) 0.282 3.486 ( 0.000 0.266 0.000) 0.266 3.489 ( 0.000 -0.788 0.000) 0.788 3.521 ( 0.000 -1.537 0.000) 1.537 3.551 ( 0.000 -1.890 0.000) 1.890 3.634 ( 0.000 -1.096 0.000) 1.096 3.648 ( 0.000 0.083 0.000) 0.083 3.671 ( 0.000 1.502 0.000) 1.502 3.722 ( 0.000 0.421 0.000) 0.421 3.742 ( 0.000 -1.535 0.000) 1.535 3.881 ( 0.000 2.288 0.000) 2.288 3.907 ( 0.000 -0.110 0.000) 0.110 3.923 ( 0.000 0.568 0.000) 0.568 3.935 ( 0.000 2.046 0.000) 2.046 3.995 ( 0.000 2.794 0.000) 2.794 4.114 ( 0.000 -0.382 0.000) 0.382 4.173 ( 0.000 0.207 0.000) 0.207 4.329 ( 0.000 -1.361 0.000) 1.361 4.382 ( 0.000 1.191 0.000) 1.191 4.564 ( 0.000 -2.152 0.000) 2.152 5.244 ( 0.000 -0.266 0.000) 0.266 5.251 ( 0.000 0.235 0.000) 0.235 5.670 ( 0.000 -0.289 0.000) 0.289 5.690 ( 0.000 0.758 0.000) 0.758 6.180 ( 0.000 -0.410 0.000) 0.410 6.195 ( 0.000 0.277 0.000) 0.277 6.272 ( 0.000 0.338 0.000) 0.338 6.283 ( 0.000 0.145 0.000) 0.145 6.370 ( 0.000 -0.163 0.000) 0.163 6.381 ( 0.000 -0.116 0.000) 0.116 6.425 ( 0.000 -0.136 0.000) 0.136 6.432 ( 0.000 0.035 0.000) 0.035 6.733 ( 0.000 -0.604 0.000) 0.604 6.753 ( 0.000 0.121 0.000) 0.121 6.813 ( 0.000 0.288 0.000) 0.288 6.828 ( 0.000 -0.398 0.000) 0.398 6.857 ( 0.000 0.127 0.000) 0.127 6.946 ( 0.000 -0.710 0.000) 0.710 7.100 ( 0.000 0.832 0.000) 0.832 7.117 ( 0.000 -0.302 0.000) 0.302 7.275 ( 0.000 -0.407 0.000) 0.407 7.288 ( 0.000 -0.446 0.000) 0.446 7.404 ( 0.000 0.258 0.000) 0.258 7.450 ( 0.000 1.109 0.000) 1.109 7.494 ( 0.000 -0.515 0.000) 0.515 7.513 ( 0.000 0.048 0.000) 0.048 7.518 ( 0.000 0.075 0.000) 0.075 7.539 ( 0.000 0.429 0.000) 0.429======================= Grid point 4 (4/42) =======================q-point: ( 0.33 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.258 ( 3.814 5.375 6.804) 9.473 0.394 ( 6.881 -0.192 8.761) 11.142 0.493 ( -5.371 -4.024 6.446) 9.305 0.604 ( 7.195 6.075 -7.172) 11.837 0.721 ( 2.084 1.743 -1.666) 3.187 0.846 ( 3.969 0.521 7.275) 8.303 0.877 ( -4.095 -1.430 1.964) 4.762 0.906 ( -1.016 4.234 -4.021) 5.927 0.986 ( 1.326 -2.940 0.192) 3.231 1.035 ( -5.160 -0.097 -2.103) 5.573 1.065 ( -3.530 3.249 0.970) 4.894 1.131 ( -2.373 1.932 -2.538) 3.976 1.212 ( 1.826 -1.165 1.226) 2.489 1.280 ( 2.560 0.362 0.843) 2.719 1.302 ( -1.221 1.646 -0.565) 2.126 1.349 ( 1.549 -1.274 -2.898) 3.524 1.410 ( -1.774 0.093 3.678) 4.084 1.428 ( 3.496 -1.310 1.425) 3.996 1.493 ( -2.553 0.300 -5.067) 5.682 1.515 ( -0.280 1.187 -1.635) 2.040 1.540 ( 4.514 -1.590 -2.076) 5.217 1.611 ( -4.077 -0.222 -1.738) 4.438 1.669 ( -0.771 0.604 1.474) 1.770 1.740 ( 1.271 -3.214 -0.449) 3.485 1.757 ( 2.380 0.042 1.105) 2.625 1.816 ( -0.371 0.483 -0.703) 0.930 1.876 ( 2.069 -0.473 1.251) 2.463 1.919 ( -0.059 -3.453 1.819) 3.903 1.960 ( -0.547 -4.322 -2.527) 5.037 2.006 ( -2.881 -2.452 -1.759) 4.172 2.054 ( -4.927 2.769 1.930) 5.972 2.068 ( 1.203 -2.670 2.897) 4.119 2.171 ( -2.081 -1.334 0.982) 2.660 2.175 ( -1.085 0.794 -0.325) 1.383 2.263 ( 1.067 0.792 2.412) 2.754 2.291 ( 0.449 -2.566 -0.245) 2.616 2.391 ( 2.709 0.522 2.264) 3.569 2.418 ( 2.222 1.833 -0.351) 2.902 2.474 ( 3.524 -0.281 -2.525) 4.344 2.486 ( 1.034 -0.657 -1.551) 1.977 2.553 ( -1.425 1.852 0.842) 2.484 2.599 ( -1.725 2.258 1.423) 3.178 2.631 ( -1.113 2.070 -0.003) 2.350 2.675 ( -1.283 -0.479 -2.201) 2.593 2.705 ( 1.008 -1.141 -1.147) 1.907 2.733 ( -0.453 -0.807 -0.252) 0.959 2.908 ( 1.611 -0.967 0.430) 1.928 2.988 ( 0.317 -1.092 0.541) 1.260 3.042 ( -1.412 -3.603 -0.076) 3.871 3.074 ( -0.740 -0.939 1.585) 1.985 3.284 ( 1.302 -0.508 1.292) 1.903 3.317 ( 0.140 -1.281 -2.005) 2.383 3.357 ( 2.685 0.117 0.093) 2.690 3.393 ( 2.655 -2.515 0.066) 3.658 3.437 ( -0.628 0.129 -1.091) 1.266 3.464 ( -1.022 0.997 0.477) 1.506 3.478 ( -0.496 1.821 -1.274) 2.277 3.518 ( 0.555 -1.078 -0.107) 1.217 3.555 ( -1.220 -0.883 1.913) 2.435 3.622 ( 0.152 -0.812 1.021) 1.313 3.632 ( -0.043 -1.259 -1.724) 2.135 3.672 ( -0.162 -0.021 -1.397) 1.407 3.718 ( -0.969 0.061 -0.074) 0.974 3.748 ( 0.820 1.084 1.720) 2.192 3.846 ( -1.527 -0.133 0.571) 1.636 3.866 ( -2.168 1.408 -1.867) 3.189 3.900 ( -0.188 1.862 -0.141) 1.877 3.996 ( 1.600 0.646 -0.527) 1.804 4.039 ( 1.146 3.443 -1.978) 4.133 4.109 ( 0.392 -0.618 3.023) 3.111 4.204 ( 1.596 -1.340 1.069) 2.342 4.333 ( 1.057 -1.062 -1.181) 1.908 4.393 ( -0.103 0.658 -1.390) 1.541 4.425 ( -5.121 2.102 1.505) 5.737 5.243 ( -0.007 -0.309 -0.052) 0.313 5.252 ( 0.004 0.312 -0.084) 0.323 5.673 ( 0.098 -0.165 -0.057) 0.200 5.690 ( 0.008 0.761 -0.012) 0.761 6.190 ( 2.038 0.357 0.376) 2.103 6.211 ( 0.658 0.144 -0.395) 0.780 6.250 ( -2.090 -0.026 -0.347) 2.118 6.264 ( -1.055 0.005 0.131) 1.063 6.358 ( -0.562 0.033 -0.047) 0.565 6.383 ( 0.113 -0.036 0.070) 0.138 6.432 ( 0.092 -0.351 0.500) 0.618 6.432 ( 0.022 0.022 0.082) 0.088 6.737 ( 0.327 -0.786 -0.119) 0.859 6.780 ( 0.871 -0.146 -0.101) 0.889 6.791 ( 0.318 0.215 -0.074) 0.391 6.833 ( -1.476 -0.115 0.262) 1.504 6.852 ( 0.428 0.327 -0.144) 0.558 6.949 ( 0.099 -0.448 -0.124) 0.475 7.098 ( 0.253 0.287 0.333) 0.507 7.109 ( -0.355 0.317 -0.409) 0.628 7.275 ( -0.020 -0.358 -0.037) 0.360 7.287 ( -0.072 -0.481 -0.045) 0.488 7.413 ( 0.578 0.500 0.140) 0.777 7.455 ( 0.241 0.442 -0.159) 0.528 7.476 ( -0.719 -0.046 0.465) 0.858 7.489 ( -1.059 0.465 -0.082) 1.159 7.534 ( 0.320 0.027 -0.256) 0.411 7.545 ( 0.408 0.219 0.373) 0.594======================= Grid point 6 (5/42) =======================q-point: ( 0.00 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 42Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.213 ( 0.000 4.989 0.000) 4.989 0.507 ( 0.000 -4.868 0.000) 4.868 0.537 ( 0.000 2.167 0.000) 2.167 0.618 ( 0.000 4.831 0.000) 4.831 0.709 ( 0.000 5.120 0.000) 5.120 0.738 ( 0.000 1.396 0.000) 1.396 0.887 ( 0.000 3.415 0.000) 3.415 0.982 ( 0.000 3.282 0.000) 3.282 1.049 ( 0.000 -1.182 0.000) 1.182 1.056 ( 0.000 1.304 0.000) 1.304 1.122 ( 0.000 1.643 0.000) 1.643 1.169 ( 0.000 -1.636 0.000) 1.636 1.242 ( 0.000 -0.973 0.000) 0.973 1.258 ( 0.000 -1.787 0.000) 1.787 1.295 ( 0.000 -0.297 0.000) 0.297 1.321 ( 0.000 -0.843 0.000) 0.843 1.333 ( 0.000 0.119 0.000) 0.119 1.379 ( 0.000 1.838 0.000) 1.838 1.484 ( 0.000 2.162 0.000) 2.162 1.507 ( 0.000 -1.648 0.000) 1.648 1.622 ( 0.000 -1.669 0.000) 1.669 1.631 ( 0.000 0.779 0.000) 0.779 1.677 ( 0.000 -2.921 0.000) 2.921 1.698 ( 0.000 1.359 0.000) 1.359 1.731 ( 0.000 -1.456 0.000) 1.456 1.808 ( 0.000 -2.574 0.000) 2.574 1.840 ( 0.000 -0.638 0.000) 0.638 1.856 ( 0.000 0.402 0.000) 0.402 1.900 ( 0.000 -0.315 0.000) 0.315 2.006 ( 0.000 -3.961 0.000) 3.961 2.017 ( 0.000 -3.006 0.000) 3.006 2.121 ( 0.000 1.009 0.000) 1.009 2.184 ( 0.000 -0.496 0.000) 0.496 2.205 ( 0.000 -2.989 0.000) 2.989 2.256 ( 0.000 -0.248 0.000) 0.248 2.294 ( 0.000 -1.245 0.000) 1.245 2.368 ( 0.000 2.867 0.000) 2.867 2.371 ( 0.000 0.727 0.000) 0.727 2.410 ( 0.000 -0.989 0.000) 0.989 2.417 ( 0.000 3.701 0.000) 3.701 2.630 ( 0.000 0.182 0.000) 0.182 2.639 ( 0.000 -2.634 0.000) 2.634 2.641 ( 0.000 -1.375 0.000) 1.375 2.684 ( 0.000 -1.174 0.000) 1.174 2.697 ( 0.000 2.242 0.000) 2.242 2.720 ( 0.000 -0.185 0.000) 0.185 2.859 ( 0.000 0.584 0.000) 0.584 2.978 ( 0.000 -4.215 0.000) 4.215 3.011 ( 0.000 -0.727 0.000) 0.727 3.071 ( 0.000 -1.894 0.000) 1.894 3.269 ( 0.000 -0.748 0.000) 0.748 3.275 ( 0.000 -0.224 0.000) 0.224 3.299 ( 0.000 -1.841 0.000) 1.841 3.365 ( 0.000 1.462 0.000) 1.462 3.387 ( 0.000 -3.627 0.000) 3.627 3.472 ( 0.000 -1.094 0.000) 1.094 3.497 ( 0.000 -0.335 0.000) 0.335 3.512 ( 0.000 2.035 0.000) 2.035 3.515 ( 0.000 -0.020 0.000) 0.020 3.614 ( 0.000 -0.500 0.000) 0.500 3.640 ( 0.000 -0.453 0.000) 0.453 3.717 ( 0.000 2.714 0.000) 2.714 3.720 ( 0.000 -0.644 0.000) 0.644 3.736 ( 0.000 0.695 0.000) 0.695 3.912 ( 0.000 -0.941 0.000) 0.941 3.920 ( 0.000 1.080 0.000) 1.080 3.927 ( 0.000 1.637 0.000) 1.637 3.999 ( 0.000 3.635 0.000) 3.635 4.022 ( 0.000 -0.519 0.000) 0.519 4.128 ( 0.000 1.981 0.000) 1.981 4.174 ( 0.000 -0.329 0.000) 0.329 4.304 ( 0.000 -1.057 0.000) 1.057 4.401 ( 0.000 0.501 0.000) 0.501 4.507 ( 0.000 -3.260 0.000) 3.260 5.236 ( 0.000 -0.574 0.000) 0.574 5.258 ( 0.000 0.488 0.000) 0.488 5.664 ( 0.000 -0.266 0.000) 0.266 5.709 ( 0.000 0.968 0.000) 0.968 6.169 ( 0.000 -0.550 0.000) 0.550 6.201 ( 0.000 0.236 0.000) 0.236 6.282 ( 0.000 0.544 0.000) 0.544 6.287 ( 0.000 0.341 0.000) 0.341 6.367 ( 0.000 -0.177 0.000) 0.177 6.377 ( 0.000 -0.272 0.000) 0.272 6.421 ( 0.000 -0.230 0.000) 0.230 6.434 ( 0.000 0.089 0.000) 0.089 6.716 ( 0.000 -1.038 0.000) 1.038 6.756 ( 0.000 0.166 0.000) 0.166 6.817 ( 0.000 -0.649 0.000) 0.649 6.821 ( 0.000 0.484 0.000) 0.484 6.861 ( 0.000 0.235 0.000) 0.235 6.930 ( 0.000 -0.804 0.000) 0.804 7.111 ( 0.000 -0.285 0.000) 0.285 7.119 ( 0.000 0.934 0.000) 0.934 7.265 ( 0.000 -0.577 0.000) 0.577 7.276 ( 0.000 -0.751 0.000) 0.751 7.411 ( 0.000 0.351 0.000) 0.351 7.479 ( 0.000 1.629 0.000) 1.629 7.482 ( 0.000 -0.626 0.000) 0.626 7.513 ( 0.000 -0.057 0.000) 0.057 7.519 ( 0.000 0.039 0.000) 0.039 7.552 ( 0.000 0.815 0.000) 0.815======================= Grid point 7 (6/42) =======================q-point: ( 0.33 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 62Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.378 ( -3.446 3.439 -2.297) 5.383 0.430 ( 7.104 2.802 12.011) 14.233 0.522 ( -1.824 7.620 5.533) 9.592 0.657 ( 4.604 -1.010 -2.814) 5.490 0.732 ( 1.179 1.264 1.474) 2.272 0.805 ( 0.786 -1.667 -2.067) 2.770 0.893 ( -0.839 1.163 4.990) 5.192 0.979 ( -5.077 2.209 -2.160) 5.943 1.006 ( 0.843 1.937 -1.311) 2.487 1.040 ( 1.919 1.787 -1.518) 3.030 1.120 ( 0.762 -1.229 0.058) 1.447 1.126 ( -3.404 -0.329 0.776) 3.506 1.195 ( -2.666 2.045 -3.110) 4.578 1.257 ( -0.637 -2.784 0.611) 2.920 1.308 ( 4.045 -0.471 -1.806) 4.454 1.329 ( 0.980 0.080 0.755) 1.239 1.397 ( 2.487 -0.832 1.026) 2.816 1.436 ( 2.632 0.450 -1.316) 2.977 1.470 ( -2.317 -1.195 -4.403) 5.118 1.548 ( 1.228 0.544 -3.754) 3.987 1.582 ( -3.069 2.711 3.065) 5.115 1.596 ( -3.101 -1.572 2.585) 4.332 1.654 ( 1.741 -4.130 -0.413) 4.502 1.690 ( -0.911 2.032 -0.251) 2.241 1.735 ( 2.581 -1.729 0.105) 3.108 1.799 ( -2.337 -2.160 3.556) 4.772 1.849 ( 1.224 -2.421 -3.511) 4.437 1.876 ( -0.884 -0.257 -2.401) 2.572 1.900 ( 1.412 -2.149 1.742) 3.106 1.966 ( -1.420 -0.829 -0.990) 1.919 1.992 ( -1.325 -2.960 -0.267) 3.254 2.131 ( -2.467 4.295 0.782) 5.014 2.165 ( -0.073 0.244 1.137) 1.166 2.203 ( -2.491 1.795 1.762) 3.539 2.226 ( -0.393 -3.358 0.578) 3.430 2.270 ( 1.876 -0.014 3.170) 3.684 2.391 ( 1.012 -0.762 1.255) 1.783 2.442 ( 4.577 0.199 -4.128) 6.167 2.460 ( 3.038 -0.800 1.361) 3.424 2.482 ( 2.880 -0.530 0.000) 2.929 2.580 ( -4.024 0.119 -1.564) 4.319 2.626 ( -0.350 -0.232 -0.677) 0.797 2.638 ( -0.515 -1.992 -1.092) 2.330 2.665 ( -1.359 0.755 -0.348) 1.593 2.690 ( -0.249 1.157 0.320) 1.226 2.738 ( 1.037 0.248 -0.196) 1.084 2.876 ( 0.957 -2.193 1.110) 2.637 2.957 ( -1.480 -4.267 0.779) 4.583 2.976 ( -1.596 -0.094 -0.458) 1.663 3.060 ( -0.814 -0.268 2.008) 2.184 3.283 ( 1.270 0.209 -0.741) 1.485 3.303 ( 0.064 -0.863 -0.118) 0.873 3.325 ( 2.376 -2.833 -1.052) 3.844 3.352 ( -0.363 -1.559 0.119) 1.605 3.423 ( 2.175 -1.612 1.019) 2.893 3.472 ( -0.274 -0.366 -1.448) 1.518 3.480 ( -0.455 0.834 0.088) 0.954 3.518 ( -0.313 -1.408 1.218) 1.888 3.558 ( 2.742 1.510 -1.333) 3.402 3.592 ( -1.930 -0.279 2.147) 2.900 3.612 ( -1.080 -1.268 -1.174) 2.038 3.673 ( -2.520 -0.072 -0.678) 2.610 3.747 ( 1.977 2.735 -0.853) 3.481 3.768 ( 1.731 0.846 1.422) 2.395 3.843 ( -2.309 0.035 -1.732) 2.886 3.902 ( -1.888 1.741 1.618) 3.036 3.941 ( -0.834 1.906 -0.381) 2.115 4.005 ( 1.907 0.281 -1.016) 2.179 4.093 ( 2.544 0.348 0.294) 2.584 4.128 ( 0.030 3.426 0.853) 3.531 4.178 ( 0.341 -1.143 0.919) 1.506 4.303 ( 0.191 -1.498 -0.720) 1.674 4.402 ( 0.272 0.078 -0.915) 0.957 4.441 ( -3.868 -0.491 0.639) 3.951 5.234 ( -0.043 -0.581 -0.065) 0.586 5.259 ( 0.036 0.436 -0.052) 0.441 5.668 ( 0.175 -0.309 -0.029) 0.356 5.709 ( 0.020 0.997 -0.007) 0.998 6.191 ( 1.947 -0.200 0.170) 1.964 6.217 ( 1.247 0.366 -0.189) 1.313 6.249 ( -1.993 -0.010 -0.090) 1.995 6.265 ( -2.100 0.113 -0.021) 2.103 6.361 ( -0.190 0.236 -0.023) 0.304 6.381 ( 0.251 -0.124 0.102) 0.298 6.423 ( 0.056 -0.405 0.216) 0.462 6.435 ( 0.033 0.149 -0.030) 0.156 6.717 ( 0.149 -1.077 -0.112) 1.093 6.778 ( 0.570 -0.061 -0.125) 0.586 6.792 ( 0.375 -0.150 -0.024) 0.404 6.830 ( -1.058 -0.190 0.298) 1.115 6.862 ( 0.420 0.649 -0.049) 0.774 6.936 ( 0.324 -0.710 -0.041) 0.781 7.103 ( -0.181 0.044 0.083) 0.204 7.118 ( -0.215 0.586 -0.224) 0.664 7.264 ( -0.031 -0.649 -0.037) 0.651 7.275 ( -0.063 -0.697 -0.013) 0.700 7.424 ( 0.959 0.448 0.470) 1.158 7.458 ( -1.260 -0.141 -0.630) 1.416 7.486 ( 0.381 0.987 0.238) 1.084 7.500 ( -0.710 0.687 0.263) 1.022 7.532 ( 0.459 -0.255 -0.261) 0.586 7.553 ( 0.065 0.620 0.140) 0.639======================= Grid point 9 (7/42) =======================q-point: ( 0.00 0.30 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 35Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.309 ( 0.000 4.323 0.000) 4.323 0.450 ( 0.000 0.733 0.000) 0.733 0.507 ( 0.000 -1.791 0.000) 1.791 0.724 ( 0.000 1.055 0.000) 1.055 0.778 ( 0.000 2.070 0.000) 2.070 0.796 ( 0.000 5.262 0.000) 5.262 0.923 ( 0.000 -2.432 0.000) 2.432 1.002 ( 0.000 -2.640 0.000) 2.640 1.045 ( 0.000 2.805 0.000) 2.805 1.104 ( 0.000 2.638 0.000) 2.638 1.110 ( 0.000 -1.483 0.000) 1.483 1.167 ( 0.000 2.459 0.000) 2.459 1.210 ( 0.000 -1.236 0.000) 1.236 1.229 ( 0.000 0.601 0.000) 0.601 1.305 ( 0.000 -2.576 0.000) 2.576 1.336 ( 0.000 2.741 0.000) 2.741 1.371 ( 0.000 3.325 0.000) 3.325 1.428 ( 0.000 2.085 0.000) 2.085 1.490 ( 0.000 -0.790 0.000) 0.790 1.524 ( 0.000 2.010 0.000) 2.010 1.581 ( 0.000 -3.385 0.000) 3.385 1.592 ( 0.000 -1.070 0.000) 1.070 1.618 ( 0.000 -0.933 0.000) 0.933 1.683 ( 0.000 -2.801 0.000) 2.801 1.706 ( 0.000 -3.997 0.000) 3.997 1.749 ( 0.000 1.120 0.000) 1.120 1.834 ( 0.000 -2.085 0.000) 2.085 1.873 ( 0.000 -0.342 0.000) 0.342 1.892 ( 0.000 -1.514 0.000) 1.514 1.941 ( 0.000 -1.564 0.000) 1.564 1.994 ( 0.000 0.287 0.000) 0.287 2.106 ( 0.000 -2.022 0.000) 2.022 2.129 ( 0.000 -3.717 0.000) 3.717 2.173 ( 0.000 -0.097 0.000) 0.097 2.283 ( 0.000 1.198 0.000) 1.198 2.294 ( 0.000 2.698 0.000) 2.698 2.384 ( 0.000 -0.471 0.000) 0.471 2.397 ( 0.000 0.969 0.000) 0.969 2.408 ( 0.000 -0.302 0.000) 0.302 2.477 ( 0.000 1.017 0.000) 1.017 2.579 ( 0.000 -2.107 0.000) 2.107 2.586 ( 0.000 -2.477 0.000) 2.477 2.633 ( 0.000 -0.397 0.000) 0.397 2.682 ( 0.000 1.171 0.000) 1.171 2.720 ( 0.000 -0.485 0.000) 0.485 2.736 ( 0.000 1.885 0.000) 1.885 2.886 ( 0.000 1.304 0.000) 1.304 2.894 ( 0.000 -3.719 0.000) 3.719 2.965 ( 0.000 -2.549 0.000) 2.549 3.021 ( 0.000 -3.117 0.000) 3.117 3.223 ( 0.000 -5.253 0.000) 5.253 3.281 ( 0.000 0.771 0.000) 0.771 3.289 ( 0.000 1.124 0.000) 1.124 3.317 ( 0.000 -1.940 0.000) 1.940 3.348 ( 0.000 -1.693 0.000) 1.693 3.482 ( 0.000 -0.986 0.000) 0.986 3.484 ( 0.000 1.781 0.000) 1.781 3.549 ( 0.000 2.305 0.000) 2.305 3.571 ( 0.000 3.122 0.000) 3.122 3.613 ( 0.000 0.301 0.000) 0.301 3.635 ( 0.000 -0.026 0.000) 0.026 3.716 ( 0.000 0.146 0.000) 0.146 3.749 ( 0.000 0.650 0.000) 0.650 3.776 ( 0.000 2.938 0.000) 2.938 3.877 ( 0.000 -2.049 0.000) 2.049 3.940 ( 0.000 0.654 0.000) 0.654 3.951 ( 0.000 0.481 0.000) 0.481 3.999 ( 0.000 -0.833 0.000) 0.833 4.068 ( 0.000 2.844 0.000) 2.844 4.156 ( 0.000 -1.401 0.000) 1.401 4.173 ( 0.000 1.933 0.000) 1.933 4.291 ( 0.000 -0.114 0.000) 0.114 4.397 ( 0.000 -0.880 0.000) 0.880 4.448 ( 0.000 -2.292 0.000) 2.292 5.221 ( 0.000 -0.789 0.000) 0.789 5.270 ( 0.000 0.580 0.000) 0.580 5.661 ( 0.000 0.003 0.000) 0.003 5.725 ( 0.000 0.615 0.000) 0.615 6.159 ( 0.000 -0.439 0.000) 0.439 6.204 ( 0.000 0.015 0.000) 0.015 6.293 ( 0.000 0.588 0.000) 0.588 6.296 ( 0.000 0.512 0.000) 0.512 6.364 ( 0.000 -0.022 0.000) 0.022 6.369 ( 0.000 -0.475 0.000) 0.475 6.416 ( 0.000 -0.258 0.000) 0.258 6.436 ( 0.000 0.094 0.000) 0.094 6.693 ( 0.000 -1.110 0.000) 1.110 6.759 ( 0.000 0.139 0.000) 0.139 6.804 ( 0.000 -0.588 0.000) 0.588 6.831 ( 0.000 0.492 0.000) 0.492 6.866 ( 0.000 0.237 0.000) 0.237 6.916 ( 0.000 -0.553 0.000) 0.553 7.108 ( 0.000 -0.019 0.000) 0.019 7.134 ( 0.000 0.590 0.000) 0.590 7.252 ( 0.000 -0.695 0.000) 0.695 7.261 ( 0.000 -0.602 0.000) 0.602 7.419 ( 0.000 0.451 0.000) 0.451 7.470 ( 0.000 -0.497 0.000) 0.497 7.500 ( 0.000 -0.169 0.000) 0.169 7.520 ( 0.000 0.060 0.000) 0.060 7.520 ( 0.000 1.229 0.000) 1.229 7.570 ( 0.000 0.934 0.000) 0.934======================= Grid point 10 (8/42) =======================q-point: ( 0.33 0.30 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.446 ( 3.003 -0.305 6.573) 7.233 0.452 ( 1.481 2.798 -3.585) 4.783 0.582 ( 6.501 -1.332 5.781) 8.801 0.723 ( 0.568 6.838 3.469) 7.688 0.753 ( 0.367 1.817 0.867) 2.046 0.841 ( -1.021 2.925 -3.152) 4.420 0.926 ( 1.691 -0.349 2.467) 3.011 0.950 ( -2.812 -3.844 1.911) 5.132 0.993 ( -3.968 0.773 -1.813) 4.430 1.085 ( -4.507 3.996 -0.912) 6.092 1.130 ( 2.509 2.547 -1.606) 3.919 1.149 ( 1.173 -1.702 0.736) 2.194 1.208 ( -0.798 -0.403 -3.193) 3.315 1.219 ( 0.152 -0.623 0.161) 0.661 1.288 ( -2.455 -0.728 -2.446) 3.541 1.333 ( 2.553 -0.320 -1.047) 2.778 1.397 ( -1.963 -0.084 0.409) 2.007 1.416 ( 2.010 -0.492 -0.471) 2.122 1.479 ( 1.073 -2.524 0.140) 2.746 1.516 ( -4.175 1.429 -3.041) 5.359 1.543 ( -2.228 -2.918 1.945) 4.154 1.618 ( 2.287 0.923 -0.239) 2.478 1.628 ( 1.816 1.415 0.301) 2.322 1.690 ( 1.636 -2.124 -0.412) 2.712 1.694 ( -1.110 -2.999 -0.220) 3.205 1.752 ( -2.090 -1.183 0.289) 2.418 1.813 ( 1.624 -2.530 -4.205) 5.169 1.847 ( -1.347 -1.267 1.576) 2.430 1.905 ( -0.030 2.001 2.651) 3.321 1.956 ( 1.255 -1.405 0.354) 1.917 1.983 ( -0.915 1.019 -1.952) 2.384 2.148 ( 1.362 -1.989 0.739) 2.521 2.168 ( -0.205 -1.301 -0.324) 1.356 2.216 ( 1.907 -0.570 4.590) 5.003 2.227 ( -0.246 2.868 0.577) 2.935 2.293 ( -0.186 3.189 1.022) 3.354 2.376 ( -0.870 -3.800 1.781) 4.286 2.382 ( -0.103 -0.765 0.217) 0.801 2.460 ( 2.796 0.874 -4.444) 5.322 2.483 ( 0.793 -0.348 0.399) 0.953 2.548 ( -2.030 -2.769 -1.499) 3.746 2.606 ( -1.189 -1.124 -0.476) 1.704 2.617 ( 2.403 -0.622 -1.981) 3.176 2.674 ( -0.904 -0.060 0.233) 0.935 2.717 ( -1.766 0.595 2.551) 3.159 2.736 ( -1.198 0.026 0.289) 1.233 2.842 ( -1.019 -0.823 0.122) 1.315 2.891 ( 1.124 -1.542 1.004) 2.156 2.957 ( -0.495 -2.135 -0.450) 2.237 3.072 ( 1.810 1.163 0.178) 2.159 3.227 ( 0.434 -5.353 0.570) 5.401 3.288 ( -0.146 -1.091 0.812) 1.368 3.304 ( 1.718 0.971 0.012) 1.974 3.333 ( 0.325 0.329 -0.560) 0.727 3.397 ( 2.224 -1.196 -1.986) 3.213 3.446 ( -1.238 -2.182 0.834) 2.644 3.471 ( -0.070 -0.776 0.955) 1.233 3.532 ( -0.848 1.729 -1.848) 2.669 3.586 ( -2.669 0.894 0.414) 2.845 3.590 ( 0.429 1.008 -3.080) 3.269 3.618 ( 0.325 1.318 1.893) 2.330 3.677 ( -2.318 0.944 1.109) 2.737 3.776 ( 1.434 -0.088 1.883) 2.368 3.804 ( 1.612 2.093 -1.092) 2.858 3.843 ( -1.617 -0.052 -1.511) 2.214 3.923 ( -0.324 0.382 1.303) 1.397 3.977 ( -0.848 1.795 -0.344) 2.014 4.000 ( 1.123 -0.964 -0.739) 1.654 4.103 ( 1.798 0.816 0.671) 2.085 4.157 ( 0.188 -0.955 0.373) 1.042 4.194 ( 1.138 2.710 0.215) 2.948 4.284 ( -0.245 -0.171 -0.382) 0.485 4.392 ( -0.038 -1.085 -0.997) 1.473 4.415 ( -2.171 -1.644 0.749) 2.825 5.220 ( -0.049 -0.766 -0.034) 0.769 5.270 ( -0.002 0.559 -0.010) 0.560 5.664 ( 0.137 -0.028 0.011) 0.141 5.726 ( 0.067 0.677 -0.013) 0.680 6.186 ( 2.234 -0.262 -0.037) 2.249 6.221 ( 1.485 0.028 0.043) 1.486 6.251 ( -2.629 0.189 0.034) 2.636 6.268 ( -2.345 0.156 -0.142) 2.354 6.367 ( 0.228 0.386 -0.012) 0.448 6.377 ( 0.302 -0.228 0.117) 0.396 6.416 ( -0.037 -0.346 0.102) 0.362 6.438 ( 0.093 0.144 -0.067) 0.183 6.695 ( 0.138 -1.045 -0.093) 1.058 6.777 ( 0.340 0.023 -0.083) 0.351 6.787 ( 0.379 -0.295 0.041) 0.482 6.827 ( -1.003 -0.061 0.215) 1.027 6.875 ( 0.615 0.546 0.019) 0.823 6.923 ( 0.368 -0.557 -0.049) 0.670 7.103 ( -0.195 0.070 -0.042) 0.211 7.129 ( -0.287 0.487 -0.108) 0.575 7.250 ( -0.118 -0.746 -0.024) 0.756 7.261 ( 0.000 -0.575 -0.013) 0.575 7.431 ( 0.893 0.248 0.477) 1.042 7.455 ( -0.993 -0.096 -0.500) 1.116 7.502 ( 0.025 0.453 0.146) 0.477 7.518 ( -0.079 0.381 0.041) 0.391 7.525 ( 0.259 0.229 -0.050) 0.350 7.569 ( -0.044 0.917 0.010) 0.918======================= Grid point 12 (9/42) =======================q-point: ( 0.00 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 42Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.381 ( 0.000 2.724 0.000) 2.724 0.478 ( 0.000 -1.006 0.000) 1.006 0.507 ( 0.000 3.258 0.000) 3.258 0.718 ( 0.000 -0.154 0.000) 0.154 0.750 ( 0.000 -4.977 0.000) 4.977 0.878 ( 0.000 1.523 0.000) 1.523 0.902 ( 0.000 4.413 0.000) 4.413 0.984 ( 0.000 -0.856 0.000) 0.856 1.043 ( 0.000 -3.297 0.000) 3.297 1.106 ( 0.000 1.060 0.000) 1.060 1.164 ( 0.000 3.434 0.000) 3.434 1.195 ( 0.000 0.843 0.000) 0.843 1.218 ( 0.000 1.798 0.000) 1.798 1.254 ( 0.000 0.889 0.000) 0.889 1.283 ( 0.000 0.176 0.000) 0.176 1.347 ( 0.000 -2.399 0.000) 2.399 1.412 ( 0.000 0.431 0.000) 0.431 1.429 ( 0.000 -1.805 0.000) 1.805 1.445 ( 0.000 -2.075 0.000) 2.075 1.500 ( 0.000 -1.894 0.000) 1.894 1.595 ( 0.000 2.959 0.000) 2.959 1.617 ( 0.000 2.014 0.000) 2.014 1.636 ( 0.000 -0.414 0.000) 0.414 1.648 ( 0.000 -1.375 0.000) 1.375 1.664 ( 0.000 3.825 0.000) 3.825 1.765 ( 0.000 -3.335 0.000) 3.335 1.788 ( 0.000 2.204 0.000) 2.204 1.823 ( 0.000 -3.013 0.000) 3.013 1.855 ( 0.000 -2.120 0.000) 2.120 1.941 ( 0.000 -0.105 0.000) 0.105 1.955 ( 0.000 -3.484 0.000) 3.484 2.059 ( 0.000 -2.414 0.000) 2.414 2.080 ( 0.000 -0.851 0.000) 0.851 2.213 ( 0.000 3.183 0.000) 3.183 2.304 ( 0.000 -1.652 0.000) 1.652 2.311 ( 0.000 0.260 0.000) 0.260 2.389 ( 0.000 0.362 0.000) 0.362 2.407 ( 0.000 0.592 0.000) 0.592 2.409 ( 0.000 1.479 0.000) 1.479 2.466 ( 0.000 -0.535 0.000) 0.535 2.549 ( 0.000 -1.450 0.000) 1.450 2.560 ( 0.000 -0.793 0.000) 0.793 2.624 ( 0.000 -0.380 0.000) 0.380 2.665 ( 0.000 -3.263 0.000) 3.263 2.739 ( 0.000 2.866 0.000) 2.866 2.767 ( 0.000 0.602 0.000) 0.602 2.852 ( 0.000 -0.205 0.000) 0.205 2.882 ( 0.000 -1.164 0.000) 1.164 2.951 ( 0.000 -3.647 0.000) 3.647 2.952 ( 0.000 1.018 0.000) 1.018 3.107 ( 0.000 -5.529 0.000) 5.529 3.258 ( 0.000 -1.405 0.000) 1.405 3.312 ( 0.000 0.869 0.000) 0.869 3.351 ( 0.000 3.210 0.000) 3.210 3.351 ( 0.000 2.302 0.000) 2.302 3.456 ( 0.000 -1.597 0.000) 1.597 3.509 ( 0.000 0.557 0.000) 0.557 3.582 ( 0.000 0.668 0.000) 0.668 3.618 ( 0.000 -0.307 0.000) 0.307 3.621 ( 0.000 1.388 0.000) 1.388 3.639 ( 0.000 0.540 0.000) 0.540 3.713 ( 0.000 -1.314 0.000) 1.314 3.750 ( 0.000 0.230 0.000) 0.230 3.821 ( 0.000 1.268 0.000) 1.268 3.866 ( 0.000 1.349 0.000) 1.349 3.936 ( 0.000 -0.683 0.000) 0.683 3.947 ( 0.000 -0.821 0.000) 0.821 4.014 ( 0.000 1.939 0.000) 1.939 4.094 ( 0.000 -0.545 0.000) 0.545 4.133 ( 0.000 -0.252 0.000) 0.252 4.197 ( 0.000 0.585 0.000) 0.585 4.299 ( 0.000 0.789 0.000) 0.789 4.368 ( 0.000 -1.811 0.000) 1.811 4.421 ( 0.000 -0.415 0.000) 0.415 5.206 ( 0.000 -0.631 0.000) 0.631 5.280 ( 0.000 0.374 0.000) 0.374 5.663 ( 0.000 0.138 0.000) 0.138 5.733 ( 0.000 0.192 0.000) 0.192 6.152 ( 0.000 -0.225 0.000) 0.225 6.203 ( 0.000 -0.075 0.000) 0.075 6.304 ( 0.000 0.406 0.000) 0.406 6.307 ( 0.000 0.467 0.000) 0.467 6.359 ( 0.000 -0.505 0.000) 0.505 6.365 ( 0.000 0.074 0.000) 0.074 6.412 ( 0.000 -0.172 0.000) 0.172 6.437 ( 0.000 0.054 0.000) 0.054 6.674 ( 0.000 -0.725 0.000) 0.725 6.761 ( 0.000 0.068 0.000) 0.068 6.794 ( 0.000 -0.301 0.000) 0.301 6.840 ( 0.000 0.305 0.000) 0.305 6.870 ( 0.000 0.129 0.000) 0.129 6.908 ( 0.000 -0.237 0.000) 0.237 7.109 ( 0.000 0.130 0.000) 0.130 7.142 ( 0.000 0.189 0.000) 0.189 7.239 ( 0.000 -0.510 0.000) 0.510 7.253 ( 0.000 -0.262 0.000) 0.262 7.429 ( 0.000 0.578 0.000) 0.578 7.463 ( 0.000 -0.260 0.000) 0.260 7.488 ( 0.000 -0.764 0.000) 0.764 7.521 ( 0.000 0.058 0.000) 0.058 7.545 ( 0.000 0.945 0.000) 0.945 7.586 ( 0.000 0.607 0.000) 0.607======================= Grid point 13 (10/42) =======================q-point: ( 0.33 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 62Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.429 ( -0.921 -0.748 2.714) 2.962 0.470 ( 0.073 -0.671 -0.723) 0.989 0.606 ( 8.548 3.420 8.193) 12.324 0.764 ( 1.233 -4.804 0.753) 5.016 0.779 ( 2.651 -1.046 2.527) 3.809 0.845 ( -0.842 3.264 0.729) 3.449 0.930 ( 0.013 3.043 -2.647) 4.033 0.973 ( -1.135 0.956 1.977) 2.472 1.015 ( -1.732 0.456 -2.094) 2.755 1.100 ( -0.512 -1.584 -1.942) 2.558 1.153 ( -2.954 2.695 0.222) 4.005 1.176 ( -1.036 0.493 -2.630) 2.869 1.208 ( 1.298 2.457 -1.061) 2.974 1.216 ( -0.594 -0.114 -0.923) 1.104 1.274 ( -3.463 -0.798 -0.291) 3.566 1.316 ( 0.423 -1.674 -0.674) 1.853 1.375 ( -1.703 -0.983 0.671) 2.078 1.419 ( 1.721 -2.929 -1.350) 3.656 1.440 ( -0.416 1.494 -0.850) 1.768 1.481 ( -3.597 -1.458 2.669) 4.710 1.587 ( -0.900 3.060 -4.163) 5.245 1.622 ( -0.038 -0.432 1.141) 1.221 1.643 ( 0.691 -0.748 -0.878) 1.345 1.652 ( 1.629 0.511 -1.275) 2.131 1.669 ( 0.436 0.481 2.610) 2.690 1.746 ( 0.707 -1.418 -0.132) 1.590 1.776 ( -1.779 -0.209 -3.220) 3.684 1.814 ( -0.145 -1.663 -1.525) 2.261 1.907 ( 2.041 -2.389 0.025) 3.142 1.948 ( 0.956 1.375 2.847) 3.303 1.980 ( 0.448 -1.032 0.608) 1.279 2.106 ( 2.689 -1.826 0.451) 3.281 2.137 ( 2.665 -1.457 4.265) 5.236 2.204 ( -1.084 -1.055 3.306) 3.636 2.229 ( -1.992 -0.679 -0.867) 2.276 2.316 ( -0.213 -1.085 -1.083) 1.548 2.382 ( -0.034 1.902 -0.149) 1.908 2.417 ( -0.326 3.890 0.600) 3.949 2.434 ( -2.110 -2.410 2.366) 3.982 2.465 ( -2.881 -0.957 -6.381) 7.066 2.520 ( 4.725 -0.150 -1.514) 4.964 2.586 ( 2.878 -2.053 -0.907) 3.650 2.596 ( -1.006 -0.171 -0.543) 1.156 2.679 ( 1.095 0.741 0.365) 1.372 2.714 ( -0.354 -0.332 0.176) 0.516 2.744 ( -5.996 0.368 5.311) 8.019 2.837 ( -3.003 0.274 0.272) 3.028 2.885 ( 3.209 0.158 -0.271) 3.224 2.916 ( 0.391 -1.496 -0.787) 1.735 3.067 ( 3.134 -3.307 0.772) 4.621 3.138 ( 2.898 -1.137 -1.715) 3.554 3.257 ( 0.204 -1.744 0.859) 1.955 3.345 ( -0.824 1.692 0.867) 2.072 3.346 ( 2.282 0.830 -0.177) 2.435 3.388 ( 0.723 0.287 -3.682) 3.763 3.402 ( -0.903 -1.156 2.749) 3.116 3.468 ( -2.921 0.060 -0.504) 2.965 3.536 ( -3.754 0.098 -0.523) 3.791 3.606 ( -0.268 -0.125 -0.477) 0.561 3.626 ( 0.189 1.817 -0.232) 1.841 3.644 ( 1.156 1.168 -1.086) 1.970 3.721 ( -0.676 2.843 -0.007) 2.922 3.752 ( 0.567 -1.826 2.122) 2.856 3.824 ( 0.151 0.362 1.083) 1.152 3.851 ( -0.541 0.882 -0.672) 1.234 3.930 ( -0.269 0.330 -0.642) 0.771 3.965 ( 0.559 -2.384 0.399) 2.481 4.013 ( -0.069 1.586 -0.384) 1.634 4.099 ( 0.302 -1.494 0.029) 1.524 4.157 ( 1.476 1.142 0.236) 1.881 4.233 ( 2.015 1.170 0.651) 2.419 4.295 ( -0.060 1.064 -0.566) 1.207 4.356 ( -0.715 -2.111 -1.748) 2.833 4.392 ( -1.925 -0.666 1.499) 2.529 5.206 ( -0.025 -0.604 -0.006) 0.604 5.280 ( 0.001 0.391 -0.001) 0.391 5.666 ( 0.134 0.155 0.033) 0.207 5.735 ( 0.135 0.249 -0.025) 0.284 6.182 ( 2.456 -0.143 -0.203) 2.468 6.220 ( 1.433 -0.072 0.161) 1.444 6.255 ( -3.256 0.144 0.336) 3.277 6.271 ( -2.205 0.119 -0.406) 2.245 6.371 ( 0.574 -0.156 0.333) 0.681 6.377 ( 0.278 0.253 -0.224) 0.437 6.410 ( -0.099 -0.219 0.091) 0.257 6.440 ( 0.169 0.096 -0.094) 0.216 6.678 ( 0.196 -0.667 -0.083) 0.700 6.778 ( 0.198 0.057 0.007) 0.206 6.782 ( 0.434 -0.187 0.092) 0.481 6.827 ( -1.030 0.035 0.098) 1.035 6.883 ( 0.690 0.248 -0.014) 0.733 6.914 ( 0.320 -0.297 -0.048) 0.439 7.106 ( -0.142 0.194 -0.014) 0.241 7.136 ( -0.321 0.187 -0.041) 0.374 7.237 ( -0.118 -0.497 -0.044) 0.513 7.253 ( -0.018 -0.290 -0.004) 0.290 7.434 ( 0.249 0.073 0.058) 0.266 7.457 ( -0.230 0.352 -0.117) 0.436 7.498 ( 0.583 -0.850 0.167) 1.045 7.515 ( -0.418 0.141 -0.080) 0.448 7.545 ( 0.001 0.861 0.022) 0.861 7.585 ( -0.041 0.621 0.004) 0.622======================= Grid point 15 (11/42) =======================q-point: ( 0.00 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 21Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.413 ( 0.000 0.000 0.000) 0.000 0.464 ( 0.000 0.000 0.000) 0.000 0.542 ( 0.000 0.000 0.000) 0.000 0.686 ( 0.000 0.000 0.000) 0.000 0.725 ( 0.000 0.000 0.000) 0.000 0.933 ( 0.000 -0.001 0.000) 0.001 0.946 ( 0.000 0.001 0.000) 0.001 0.962 ( 0.000 -0.000 0.000) 0.000 0.975 ( 0.000 0.000 0.000) 0.000 1.131 ( 0.000 0.000 0.000) 0.000 1.215 ( 0.000 0.000 0.000) 0.000 1.217 ( 0.000 -0.000 0.000) 0.000 1.251 ( 0.000 0.000 0.000) 0.000 1.270 ( 0.000 -0.000 0.000) 0.000 1.273 ( 0.000 -0.000 0.000) 0.000 1.274 ( 0.000 0.001 0.000) 0.001 1.407 ( 0.000 0.000 0.000) 0.000 1.410 ( 0.000 0.000 0.000) 0.000 1.422 ( 0.000 0.000 0.000) 0.000 1.490 ( 0.000 0.000 0.000) 0.000 1.617 ( 0.000 0.000 0.000) 0.000 1.623 ( 0.000 0.000 0.000) 0.000 1.645 ( 0.000 0.000 0.000) 0.000 1.658 ( 0.000 0.000 0.000) 0.000 1.721 ( 0.000 0.000 0.000) 0.000 1.725 ( 0.000 0.000 0.000) 0.000 1.789 ( 0.000 0.000 0.000) 0.000 1.810 ( 0.000 0.000 0.000) 0.000 1.846 ( 0.000 0.000 0.000) 0.000 1.900 ( 0.000 -0.000 0.000) 0.000 1.929 ( 0.000 -0.000 0.000) 0.000 2.033 ( 0.000 0.000 0.000) 0.000 2.075 ( 0.000 0.000 0.000) 0.000 2.256 ( 0.000 -0.000 0.000) 0.000 2.279 ( 0.000 0.000 0.000) 0.000 2.299 ( 0.000 0.000 0.000) 0.000 2.408 ( 0.000 0.000 0.000) 0.000 2.413 ( 0.000 0.000 0.000) 0.000 2.420 ( 0.000 -0.000 0.000) 0.000 2.472 ( 0.000 0.000 0.000) 0.000 2.527 ( 0.000 0.000 0.000) 0.000 2.545 ( 0.000 0.000 0.000) 0.000 2.620 ( 0.000 0.000 0.000) 0.000 2.625 ( 0.000 -0.000 0.000) 0.000 2.766 ( 0.000 0.000 0.000) 0.000 2.779 ( 0.000 0.000 0.000) 0.000 2.869 ( 0.000 0.000 0.000) 0.000 2.881 ( 0.000 -0.001 0.000) 0.001 2.882 ( 0.000 0.001 0.000) 0.001 2.969 ( 0.000 0.000 0.000) 0.000 3.041 ( 0.000 0.000 0.000) 0.000 3.244 ( 0.000 0.000 0.000) 0.000 3.321 ( 0.000 0.000 0.000) 0.000 3.395 ( 0.000 0.000 0.000) 0.000 3.408 ( 0.000 0.000 0.000) 0.000 3.418 ( 0.000 0.000 0.000) 0.000 3.511 ( 0.000 0.000 0.000) 0.000 3.588 ( 0.000 0.000 0.000) 0.000 3.600 ( 0.000 0.000 0.000) 0.000 3.629 ( 0.000 0.000 0.000) 0.000 3.650 ( 0.000 0.000 0.000) 0.000 3.687 ( 0.000 0.000 0.000) 0.000 3.766 ( 0.000 0.000 0.000) 0.000 3.831 ( 0.000 0.000 0.000) 0.000 3.890 ( 0.000 0.000 0.000) 0.000 3.929 ( 0.000 0.000 0.000) 0.000 3.931 ( 0.000 0.000 0.000) 0.000 4.041 ( 0.000 0.000 0.000) 0.000 4.082 ( 0.000 0.000 0.000) 0.000 4.133 ( 0.000 0.000 0.000) 0.000 4.202 ( 0.000 0.000 0.000) 0.000 4.313 ( 0.000 -0.000 0.000) 0.000 4.342 ( 0.000 0.000 0.000) 0.000 4.420 ( 0.000 0.000 0.000) 0.000 5.199 ( 0.000 0.000 0.000) 0.000 5.283 ( 0.000 0.000 0.000) 0.000 5.665 ( 0.000 0.000 0.000) 0.000 5.735 ( 0.000 0.000 0.000) 0.000 6.150 ( 0.000 0.000 0.000) 0.000 6.202 ( 0.000 0.000 0.000) 0.000 6.308 ( 0.000 0.000 0.000) 0.000 6.312 ( 0.000 0.000 0.000) 0.000 6.353 ( 0.000 0.000 0.000) 0.000 6.366 ( 0.000 0.000 0.000) 0.000 6.410 ( 0.000 0.000 0.000) 0.000 6.438 ( 0.000 0.000 0.000) 0.000 6.666 ( 0.000 0.000 0.000) 0.000 6.762 ( 0.000 0.000 0.000) 0.000 6.791 ( 0.000 0.000 0.000) 0.000 6.843 ( 0.000 0.000 0.000) 0.000 6.871 ( 0.000 0.000 0.000) 0.000 6.906 ( 0.000 0.000 0.000) 0.000 7.111 ( 0.000 0.000 0.000) 0.000 7.144 ( 0.000 0.000 0.000) 0.000 7.234 ( 0.000 0.000 0.000) 0.000 7.250 ( 0.000 0.000 0.000) 0.000 7.437 ( 0.000 0.000 0.000) 0.000 7.460 ( 0.000 0.000 0.000) 0.000 7.478 ( 0.000 0.000 0.000) 0.000 7.522 ( 0.000 0.000 0.000) 0.000 7.554 ( 0.000 0.000 0.000) 0.000 7.593 ( 0.000 0.000 0.000) 0.000======================= Grid point 17 (12/42) =======================q-point: ( 0.33 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 36Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.424 ( -2.385 0.000 0.480) 2.433 0.458 ( 0.071 0.000 0.875) 0.878 0.664 ( 9.826 0.000 8.615) 13.068 0.694 ( 0.563 0.000 0.953) 1.107 0.759 ( 1.741 0.000 4.285) 4.625 0.875 ( -1.558 0.000 0.240) 1.577 0.969 ( 1.335 -0.000 -1.097) 1.728 0.990 ( 0.524 0.000 -0.019) 0.524 1.005 ( -1.967 0.000 -3.236) 3.787 1.085 ( -1.389 0.000 -2.231) 2.628 1.186 ( -4.402 0.000 -2.873) 5.256 1.200 ( -1.687 0.000 -1.471) 2.238 1.227 ( -0.804 0.000 -0.441) 0.917 1.235 ( -1.466 -0.000 0.818) 1.678 1.246 ( 0.239 0.000 -2.316) 2.328 1.290 ( 0.098 0.000 0.583) 0.591 1.355 ( 2.032 0.000 -0.344) 2.061 1.386 ( -0.603 0.000 0.740) 0.954 1.452 ( -0.876 0.000 -0.466) 0.992 1.484 ( -2.510 0.000 0.806) 2.636 1.601 ( 0.004 0.000 0.462) 0.462 1.621 ( -0.007 0.000 -3.010) 3.010 1.655 ( 2.092 0.000 -0.481) 2.147 1.664 ( -0.681 -0.000 -0.306) 0.746 1.684 ( -0.352 -0.000 -0.071) 0.359 1.720 ( -1.124 0.000 1.242) 1.675 1.760 ( -3.468 -0.000 -2.100) 4.054 1.797 ( 4.065 0.000 -3.724) 5.513 1.885 ( -1.248 -0.000 1.993) 2.352 1.963 ( 3.223 0.000 1.497) 3.554 1.965 ( 1.438 0.000 1.501) 2.079 2.084 ( 3.494 -0.000 -0.182) 3.499 2.123 ( 3.425 0.000 6.576) 7.415 2.182 ( -3.559 0.000 4.315) 5.593 2.237 ( -3.510 0.000 -4.716) 5.879 2.306 ( -0.152 0.000 0.281) 0.319 2.368 ( -1.810 0.000 0.567) 1.897 2.414 ( -1.223 0.000 -1.892) 2.252 2.453 ( -2.184 0.000 -4.022) 4.577 2.480 ( 1.660 0.000 2.743) 3.206 2.528 ( -0.206 0.000 0.047) 0.211 2.554 ( 7.808 0.000 -4.099) 8.819 2.596 ( -1.506 0.000 -0.249) 1.526 2.695 ( 1.052 0.000 0.171) 1.065 2.703 ( -0.929 0.000 -0.301) 0.977 2.747 ( -4.335 0.000 5.876) 7.302 2.843 ( -4.262 0.000 0.891) 4.354 2.890 ( 0.516 0.000 0.227) 0.564 2.902 ( 4.403 0.000 -1.352) 4.606 3.007 ( 1.289 0.000 1.181) 1.749 3.142 ( 6.000 0.000 -2.587) 6.534 3.237 ( -0.650 0.000 -0.422) 0.774 3.352 ( 1.660 0.000 -0.603) 1.766 3.354 ( -2.542 0.000 3.722) 4.507 3.379 ( -0.872 0.000 -1.985) 2.168 3.418 ( 0.364 0.000 0.184) 0.408 3.469 ( -3.952 0.000 -1.695) 4.300 3.553 ( -2.177 0.000 1.852) 2.858 3.601 ( 0.070 0.000 -0.141) 0.158 3.624 ( 1.136 0.000 -1.547) 1.919 3.664 ( 0.726 0.000 -0.410) 0.833 3.719 ( 1.464 0.000 -0.573) 1.573 3.771 ( 0.242 0.000 0.179) 0.301 3.824 ( -1.230 0.000 1.095) 1.647 3.872 ( -0.985 0.000 0.263) 1.020 3.925 ( -0.145 0.000 2.183) 2.188 3.934 ( 0.297 0.000 -1.590) 1.618 4.032 ( -0.109 0.000 -0.291) 0.311 4.075 ( -0.310 0.000 -0.158) 0.348 4.174 ( 2.140 0.000 0.245) 2.154 4.244 ( 2.575 0.000 0.940) 2.741 4.319 ( 0.530 -0.000 -2.880) 2.928 4.322 ( -1.247 0.000 -0.212) 1.265 4.385 ( -2.462 0.000 1.804) 3.052 5.199 ( -0.010 0.000 0.004) 0.011 5.284 ( 0.014 0.000 -0.001) 0.014 5.668 ( 0.147 0.000 0.041) 0.153 5.738 ( 0.169 0.000 -0.032) 0.172 6.180 ( 2.533 0.000 -0.263) 2.546 6.220 ( 1.419 0.000 0.193) 1.432 6.257 ( -3.538 0.000 0.506) 3.574 6.272 ( -2.119 0.000 -0.558) 2.191 6.369 ( 0.562 0.000 0.343) 0.658 6.380 ( 0.407 0.000 -0.231) 0.468 6.408 ( -0.124 0.000 0.096) 0.157 6.441 ( 0.205 0.000 -0.103) 0.229 6.671 ( 0.225 0.000 -0.081) 0.239 6.779 ( -0.574 0.000 0.077) 0.579 6.780 ( 1.191 0.000 0.085) 1.194 6.828 ( -1.038 0.000 0.046) 1.039 6.885 ( 0.687 0.000 -0.056) 0.689 6.911 ( 0.282 0.000 -0.035) 0.284 7.109 ( -0.105 0.000 0.017) 0.106 7.138 ( -0.315 0.000 -0.007) 0.316 7.231 ( -0.110 0.000 -0.061) 0.126 7.250 ( -0.035 0.000 0.001) 0.035 7.434 ( -0.105 0.000 -0.192) 0.219 7.464 ( 0.196 0.000 0.186) 0.271 7.485 ( 0.429 0.000 -0.067) 0.434 7.517 ( -0.293 0.000 0.148) 0.328 7.554 ( -0.034 0.000 -0.068) 0.076 7.592 ( -0.034 0.000 0.015) 0.037======================= Grid point 33 (13/42) =======================q-point: ( 0.00 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 36Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.188 ( -6.707 0.000 10.794) 12.708 0.265 ( -9.440 0.000 13.529) 16.497 0.489 ( 10.747 0.000 23.069) 25.450 0.606 ( 1.221 0.000 -7.276) 7.377 0.696 ( 7.618 0.000 -7.580) 10.746 0.840 ( 7.390 0.000 2.038) 7.666 0.901 ( -3.445 0.000 4.713) 5.838 0.998 ( 3.591 0.000 -3.722) 5.172 1.026 ( 2.207 0.000 -0.066) 2.208 1.070 ( -5.725 0.000 -3.616) 6.771 1.104 ( -1.345 0.000 -2.829) 3.132 1.105 ( -3.638 0.000 -3.722) 5.205 1.158 ( 3.946 0.000 -0.344) 3.961 1.238 ( 0.326 0.000 1.629) 1.661 1.290 ( -2.186 0.000 -8.933) 9.196 1.301 ( -3.374 0.000 7.349) 8.086 1.379 ( 6.698 0.000 -2.177) 7.043 1.434 ( -5.153 0.000 -0.603) 5.189 1.469 ( -2.299 0.000 -2.054) 3.083 1.515 ( -0.302 0.000 3.036) 3.051 1.584 ( -3.336 0.000 -1.186) 3.540 1.654 ( -0.595 0.000 -2.566) 2.634 1.669 ( 1.617 0.000 4.604) 4.880 1.699 ( -0.453 0.000 1.256) 1.335 1.734 ( -2.590 0.000 0.302) 2.607 1.809 ( -0.245 0.000 -1.973) 1.988 1.883 ( -1.958 0.000 1.486) 2.458 1.912 ( 2.545 0.000 -2.203) 3.366 1.969 ( 2.846 0.000 0.210) 2.854 1.989 ( 4.691 0.000 -0.770) 4.753 2.110 ( -2.526 0.000 -4.936) 5.545 2.117 ( 0.254 0.000 -5.942) 5.947 2.171 ( 2.494 0.000 -1.015) 2.692 2.224 ( 0.975 0.000 1.250) 1.586 2.294 ( -1.929 0.000 2.382) 3.065 2.355 ( -1.166 0.000 3.996) 4.163 2.373 ( 2.625 0.000 3.617) 4.469 2.390 ( -1.056 0.000 2.703) 2.902 2.441 ( -0.991 0.000 0.032) 0.992 2.511 ( -0.281 0.000 -3.839) 3.849 2.552 ( 0.840 0.000 -1.686) 1.883 2.571 ( 0.356 0.000 1.275) 1.324 2.653 ( 3.261 0.000 -1.246) 3.491 2.675 ( -1.546 0.000 -0.341) 1.583 2.734 ( -1.719 0.000 3.219) 3.650 2.774 ( -0.213 0.000 4.436) 4.442 2.901 ( 0.058 0.000 -1.772) 1.773 2.914 ( -0.108 0.000 -1.509) 1.513 3.088 ( 0.515 0.000 0.607) 0.796 3.114 ( 0.066 0.000 -1.793) 1.794 3.290 ( -0.197 0.000 0.417) 0.461 3.294 ( 1.750 0.000 3.107) 3.566 3.344 ( -1.625 0.000 -1.386) 2.136 3.393 ( 1.053 0.000 -2.141) 2.385 3.401 ( -3.499 0.000 1.330) 3.743 3.484 ( 0.627 0.000 -1.316) 1.457 3.507 ( -1.180 0.000 3.531) 3.723 3.548 ( 0.476 0.000 0.764) 0.900 3.604 ( 1.776 0.000 2.733) 3.260 3.638 ( -1.417 0.000 0.610) 1.543 3.669 ( 1.004 0.000 2.449) 2.647 3.736 ( -4.093 0.000 -2.681) 4.893 3.743 ( 0.032 0.000 2.054) 2.054 3.775 ( -1.252 0.000 0.343) 1.298 3.793 ( 1.484 0.000 -3.525) 3.825 3.852 ( 2.160 0.000 -3.303) 3.946 3.870 ( -0.818 0.000 -1.388) 1.611 3.929 ( -3.356 0.000 -1.880) 3.846 4.022 ( -0.644 0.000 4.683) 4.727 4.151 ( 0.908 0.000 -1.934) 2.136 4.165 ( 3.084 0.000 1.870) 3.606 4.299 ( -1.694 0.000 -3.791) 4.152 4.376 ( 0.536 0.000 0.771) 0.939 4.388 ( 1.653 0.000 0.716) 1.801 5.250 ( 0.054 0.000 0.312) 0.317 5.252 ( -0.070 0.000 0.250) 0.260 5.674 ( -0.017 0.000 0.063) 0.066 5.680 ( -0.014 0.000 -0.191) 0.192 6.158 ( 0.474 0.000 0.664) 0.816 6.187 ( -0.576 0.000 -0.545) 0.793 6.270 ( 0.491 0.000 0.154) 0.515 6.279 ( -0.444 0.000 -0.209) 0.491 6.381 ( -0.229 0.000 0.910) 0.938 6.388 ( 0.059 0.000 0.591) 0.594 6.426 ( 0.036 0.000 -0.535) 0.536 6.438 ( 0.838 0.000 -1.045) 1.340 6.745 ( -0.179 0.000 0.473) 0.506 6.752 ( 0.063 0.000 0.054) 0.082 6.828 ( -0.088 0.000 1.822) 1.824 6.858 ( 0.312 0.000 0.194) 0.367 6.867 ( -0.981 0.000 -0.187) 0.999 6.930 ( -0.186 0.000 -2.359) 2.366 7.091 ( -0.004 0.000 -0.019) 0.019 7.091 ( 0.234 0.000 -0.088) 0.250 7.276 ( 0.067 0.000 -0.278) 0.286 7.285 ( -0.071 0.000 -0.632) 0.636 7.425 ( -0.154 0.000 2.144) 2.150 7.453 ( 0.131 0.000 1.382) 1.388 7.504 ( -0.135 0.000 -0.824) 0.835 7.511 ( 0.445 0.000 -1.275) 1.350 7.513 ( -0.556 0.000 1.001) 1.145 7.568 ( 0.015 0.000 -1.075) 1.075======================= Grid point 34 (14/42) =======================q-point: ( 0.33 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 36Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.293 ( 10.745 0.000 4.467) 11.636 0.331 ( 6.661 0.000 -5.816) 8.843 0.549 ( -4.888 0.000 5.002) 6.994 0.686 ( -8.837 0.000 4.429) 9.885 0.718 ( 5.421 0.000 0.060) 5.422 0.780 ( -6.046 0.000 -4.148) 7.332 0.830 ( -7.661 0.000 -6.272) 9.901 0.949 ( -0.840 0.000 -6.811) 6.862 1.003 ( 2.421 0.000 2.549) 3.515 1.048 ( -2.126 0.000 5.959) 6.327 1.072 ( -8.057 0.000 6.487) 10.343 1.075 ( 2.462 0.000 -1.261) 2.766 1.235 ( 4.177 0.000 -2.785) 5.020 1.253 ( 3.029 0.000 -0.001) 3.029 1.303 ( 1.833 0.000 6.182) 6.448 1.346 ( 2.985 0.000 -3.128) 4.324 1.393 ( 3.306 0.000 -8.930) 9.522 1.404 ( -3.577 0.000 -1.694) 3.957 1.480 ( -0.324 0.000 2.115) 2.140 1.491 ( 3.643 0.000 -0.046) 3.643 1.499 ( 2.079 0.000 1.091) 2.348 1.638 ( -0.436 0.000 -1.061) 1.147 1.662 ( -2.845 0.000 3.447) 4.469 1.731 ( 1.108 0.000 0.542) 1.233 1.751 ( 2.402 0.000 -1.487) 2.825 1.821 ( 1.926 0.000 1.369) 2.363 1.891 ( -4.160 0.000 -5.674) 7.035 1.930 ( 3.365 0.000 4.222) 5.399 1.972 ( -3.488 0.000 -1.906) 3.975 2.050 ( -1.228 0.000 -1.560) 1.985 2.055 ( -1.059 0.000 -4.247) 4.377 2.090 ( 2.476 0.000 -1.632) 2.965 2.193 ( -2.452 0.000 -1.814) 3.050 2.222 ( -1.890 0.000 2.432) 3.081 2.254 ( -0.009 0.000 2.233) 2.233 2.302 ( -1.725 0.000 2.160) 2.764 2.419 ( 1.770 0.000 -1.142) 2.107 2.434 ( 1.258 0.000 1.813) 2.207 2.437 ( 0.112 0.000 2.897) 2.899 2.487 ( -2.901 0.000 -1.336) 3.194 2.551 ( 1.472 0.000 -0.425) 1.533 2.564 ( -0.826 0.000 1.313) 1.551 2.608 ( -2.946 0.000 -4.969) 5.777 2.684 ( 1.970 0.000 -0.136) 1.975 2.731 ( 0.251 0.000 7.679) 7.683 2.772 ( -0.795 0.000 0.228) 0.827 2.933 ( 2.229 0.000 1.011) 2.448 2.982 ( 4.868 0.000 -1.220) 5.019 3.053 ( -2.758 0.000 -2.428) 3.674 3.089 ( -2.583 0.000 -0.253) 2.595 3.288 ( -0.803 0.000 -0.652) 1.034 3.325 ( 2.874 0.000 0.257) 2.886 3.368 ( 3.167 0.000 1.143) 3.367 3.372 ( -1.920 0.000 -2.946) 3.517 3.431 ( 3.149 0.000 1.074) 3.327 3.496 ( -1.540 0.000 2.673) 3.085 3.503 ( 0.342 0.000 2.894) 2.914 3.557 ( 0.044 0.000 1.868) 1.869 3.595 ( -5.462 0.000 0.566) 5.491 3.613 ( 0.571 0.000 1.199) 1.328 3.660 ( 1.195 0.000 0.411) 1.264 3.678 ( -0.096 0.000 0.858) 0.863 3.715 ( -1.944 0.000 -0.426) 1.990 3.728 ( -1.437 0.000 -4.160) 4.401 3.822 ( 0.605 0.000 3.773) 3.821 3.869 ( 0.520 0.000 -0.091) 0.527 3.874 ( 0.663 0.000 -0.249) 0.709 3.944 ( 2.953 0.000 -4.111) 5.062 4.016 ( -0.171 0.000 3.376) 3.380 4.154 ( -0.305 0.000 0.694) 0.758 4.221 ( -0.231 0.000 -1.236) 1.258 4.275 ( 0.598 0.000 -4.057) 4.100 4.366 ( -0.452 0.000 -0.388) 0.596 4.409 ( -0.134 0.000 0.058) 0.146 5.251 ( -0.023 0.000 0.253) 0.254 5.252 ( -0.020 0.000 0.380) 0.380 5.674 ( 0.036 0.000 0.068) 0.077 5.680 ( 0.033 0.000 -0.180) 0.183 6.196 ( 1.085 0.000 -0.736) 1.311 6.198 ( 2.670 0.000 0.878) 2.810 6.240 ( -2.658 0.000 -0.434) 2.693 6.267 ( -0.693 0.000 0.066) 0.696 6.367 ( -0.683 0.000 0.875) 1.110 6.388 ( -0.186 0.000 0.370) 0.414 6.427 ( 0.079 0.000 -0.420) 0.427 6.435 ( -0.555 0.000 -0.945) 1.096 6.757 ( 1.078 0.000 1.088) 1.532 6.782 ( 2.123 0.000 -0.144) 2.128 6.798 ( -1.699 0.000 1.124) 2.037 6.837 ( -2.020 0.000 -0.007) 2.020 6.865 ( 0.340 0.000 1.281) 1.326 6.931 ( 0.512 0.000 -1.862) 1.931 7.096 ( 0.032 0.000 -0.290) 0.292 7.096 ( 0.251 0.000 -0.394) 0.467 7.274 ( -0.099 0.000 -0.193) 0.217 7.283 ( 0.051 0.000 -0.677) 0.679 7.434 ( 0.448 0.000 2.314) 2.357 7.463 ( 0.384 0.000 0.904) 0.982 7.485 ( -1.133 0.000 -0.324) 1.179 7.487 ( -0.995 0.000 0.642) 1.184 7.525 ( 0.386 0.000 -0.443) 0.587 7.550 ( -0.403 0.000 -0.209) 0.454======================= Grid point 35 (15/42) =======================q-point: (-0.33 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 36Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.252 ( -1.142 0.000 12.346) 12.399 0.422 ( -11.602 0.000 7.045) 13.574 0.549 ( 7.083 0.000 -4.078) 8.173 0.591 ( -7.162 0.000 0.424) 7.174 0.627 ( -7.127 0.000 1.533) 7.290 0.666 ( 2.140 0.000 -6.989) 7.309 0.789 ( 8.202 0.000 -3.167) 8.792 0.943 ( 1.953 0.000 -5.888) 6.204 0.980 ( -2.230 0.000 4.896) 5.380 1.022 ( 4.622 0.000 -0.034) 4.622 1.105 ( 5.031 0.000 5.740) 7.633 1.133 ( -0.197 0.000 1.437) 1.451 1.225 ( -6.048 0.000 -4.646) 7.626 1.252 ( -1.327 0.000 2.939) 3.224 1.299 ( -1.433 0.000 2.856) 3.196 1.376 ( -2.130 0.000 -6.458) 6.800 1.398 ( 3.253 0.000 2.013) 3.825 1.472 ( -4.857 0.000 1.277) 5.022 1.497 ( 6.328 0.000 -1.148) 6.431 1.538 ( -0.316 0.000 -1.007) 1.055 1.546 ( -2.125 0.000 -5.106) 5.530 1.642 ( 2.389 0.000 -3.199) 3.993 1.667 ( 2.366 0.000 7.723) 8.078 1.748 ( -2.088 0.000 -0.347) 2.116 1.782 ( -0.037 0.000 0.249) 0.252 1.791 ( 1.958 0.000 -1.172) 2.282 1.873 ( -0.965 0.000 0.217) 0.989 1.909 ( 0.309 0.000 2.838) 2.855 1.962 ( -3.502 0.000 -6.526) 7.406 2.003 ( -1.246 0.000 0.514) 1.348 2.084 ( 3.563 0.000 -4.298) 5.583 2.105 ( -1.539 0.000 0.814) 1.741 2.107 ( 0.531 0.000 3.267) 3.310 2.216 ( 1.252 0.000 -4.190) 4.373 2.300 ( 2.073 0.000 3.065) 3.700 2.307 ( 2.837 0.000 5.591) 6.269 2.360 ( -4.095 0.000 0.784) 4.169 2.427 ( -1.558 0.000 3.018) 3.397 2.450 ( 0.621 0.000 -1.190) 1.342 2.504 ( 2.239 0.000 0.012) 2.239 2.547 ( 0.106 0.000 0.742) 0.750 2.553 ( -1.510 0.000 -2.273) 2.729 2.596 ( 0.970 0.000 -2.299) 2.496 2.707 ( -0.335 0.000 -5.430) 5.440 2.741 ( 0.086 0.000 2.863) 2.864 2.770 ( 0.583 0.000 3.769) 3.814 2.935 ( -2.516 0.000 1.766) 3.074 2.991 ( -4.841 0.000 -0.921) 4.928 3.040 ( 2.479 0.000 0.581) 2.546 3.085 ( 3.100 0.000 -0.953) 3.243 3.273 ( -0.379 0.000 0.816) 0.900 3.322 ( -1.984 0.000 -1.627) 2.565 3.369 ( 0.708 0.000 -1.441) 1.605 3.412 ( -4.611 0.000 -0.097) 4.612 3.430 ( 1.877 0.000 -0.351) 1.909 3.484 ( 0.021 0.000 1.833) 1.833 3.511 ( 0.821 0.000 3.259) 3.361 3.548 ( 0.468 0.000 1.028) 1.130 3.579 ( 0.887 0.000 1.358) 1.622 3.623 ( -0.028 0.000 -0.183) 0.185 3.672 ( -0.392 0.000 0.206) 0.443 3.679 ( 3.632 0.000 1.022) 3.773 3.732 ( 2.080 0.000 -1.988) 2.877 3.735 ( 1.815 0.000 0.520) 1.888 3.790 ( -2.370 0.000 1.440) 2.773 3.884 ( -0.155 0.000 -1.430) 1.438 3.890 ( 0.191 0.000 -0.844) 0.865 4.021 ( -0.140 0.000 4.919) 4.921 4.022 ( 2.788 0.000 -4.231) 5.067 4.091 ( -4.223 0.000 2.857) 5.099 4.182 ( -1.243 0.000 -3.232) 3.463 4.306 ( 2.061 0.000 -3.263) 3.859 4.372 ( 0.069 0.000 0.385) 0.391 4.383 ( -1.696 0.000 -0.228) 1.711 5.251 ( -0.091 0.000 0.288) 0.302 5.252 ( 0.033 0.000 0.304) 0.306 5.675 ( -0.033 0.000 0.061) 0.069 5.680 ( 0.021 0.000 -0.171) 0.172 6.179 ( -2.198 0.000 0.026) 2.198 6.213 ( -0.419 0.000 -0.056) 0.423 6.254 ( 0.294 0.000 -0.839) 0.889 6.259 ( 2.054 0.000 0.413) 2.095 6.369 ( 0.714 0.000 1.000) 1.229 6.385 ( 0.045 0.000 0.237) 0.242 6.424 ( -0.100 0.000 -0.360) 0.373 6.426 ( -0.021 0.000 -0.410) 0.411 6.760 ( -1.070 0.000 1.056) 1.503 6.782 ( -2.322 0.000 -0.142) 2.327 6.802 ( 1.649 0.000 1.290) 2.093 6.830 ( 1.884 0.000 -0.300) 1.908 6.871 ( 0.095 0.000 1.270) 1.273 6.937 ( 0.109 0.000 -1.783) 1.787 7.092 ( -0.214 0.000 -0.323) 0.387 7.097 ( -0.141 0.000 -0.600) 0.617 7.274 ( 0.087 0.000 -0.287) 0.300 7.285 ( 0.165 0.000 -0.630) 0.652 7.434 ( -0.782 0.000 2.044) 2.188 7.457 ( -0.614 0.000 0.844) 1.043 7.487 ( 1.407 0.000 0.329) 1.445 7.491 ( 0.809 0.000 0.789) 1.130 7.526 ( -0.230 0.000 -0.617) 0.658 7.546 ( 0.190 0.000 0.197) 0.274======================= Grid point 36 (16/42) =======================q-point: ( 0.00 0.10 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.245 ( 8.576 12.477 -0.807) 15.162 0.460 ( 4.765 4.320 16.229) 17.457 0.544 ( -1.329 2.993 4.296) 5.402 0.550 ( 0.448 2.843 -0.129) 2.881 0.691 ( 1.034 -2.415 -0.996) 2.809 0.778 ( 7.730 -4.011 2.926) 9.187 0.908 ( -2.394 0.742 3.753) 4.513 0.977 ( -1.090 -1.203 -0.747) 1.786 1.042 ( 2.257 2.360 0.250) 3.275 1.049 ( 2.199 -2.117 -2.790) 4.136 1.102 ( -7.935 0.698 -1.359) 8.081 1.140 ( -1.180 1.517 -3.545) 4.033 1.198 ( 3.692 2.413 -3.004) 5.337 1.221 ( -4.133 -1.993 -4.279) 6.275 1.275 ( 1.209 -0.244 0.166) 1.244 1.334 ( 0.215 2.330 1.547) 2.805 1.392 ( 4.264 0.904 -2.865) 5.216 1.413 ( 0.749 -3.430 -1.026) 3.658 1.433 ( -5.984 -0.319 1.584) 6.199 1.479 ( 0.160 -1.859 3.570) 4.028 1.582 ( -3.513 -0.374 -1.978) 4.048 1.644 ( 0.347 -0.458 -2.889) 2.946 1.689 ( -0.062 0.306 2.649) 2.667 1.712 ( -0.034 0.104 -0.221) 0.246 1.741 ( -1.641 -0.421 -1.319) 2.148 1.778 ( -1.029 -0.522 -0.521) 1.266 1.853 ( 2.587 -2.684 -0.039) 3.728 1.909 ( -0.826 -1.128 1.988) 2.430 1.966 ( -1.112 0.065 0.019) 1.114 2.032 ( 5.259 2.616 -1.541) 6.073 2.081 ( -0.541 -0.519 -3.150) 3.238 2.106 ( -1.279 -1.371 0.827) 2.050 2.180 ( 3.520 0.747 -2.790) 4.553 2.259 ( -0.352 1.277 2.326) 2.676 2.275 ( -1.111 -1.328 -1.050) 2.025 2.308 ( -1.703 -3.398 0.433) 3.826 2.352 ( 1.644 -3.097 0.634) 3.564 2.392 ( 2.146 1.244 5.101) 5.673 2.418 ( -2.632 -0.010 4.021) 4.806 2.524 ( -0.714 -2.822 3.362) 4.447 2.554 ( -0.203 2.138 -3.940) 4.487 2.601 ( 1.301 2.556 -1.204) 3.110 2.631 ( 1.688 -0.347 -1.448) 2.251 2.667 ( -0.947 -1.248 -1.784) 2.375 2.725 ( -1.501 -0.623 2.675) 3.130 2.772 ( -0.103 -0.292 4.284) 4.295 2.863 ( 0.541 -1.767 -1.303) 2.261 2.957 ( 0.076 2.094 -2.735) 3.445 3.070 ( 0.872 -2.199 1.275) 2.687 3.104 ( -0.437 -1.227 -0.923) 1.596 3.269 ( 1.795 -0.487 -0.076) 1.861 3.309 ( -1.517 -0.697 -0.142) 1.675 3.334 ( -1.707 -0.904 0.234) 1.946 3.341 ( 0.657 -1.021 0.400) 1.279 3.430 ( -1.107 1.338 0.806) 1.915 3.472 ( 1.035 -1.535 -0.176) 1.860 3.511 ( -1.072 -0.070 2.420) 2.648 3.537 ( 0.267 -1.043 1.676) 1.992 3.591 ( 0.882 -1.468 3.052) 3.500 3.629 ( 0.758 -1.147 -0.870) 1.627 3.647 ( -1.400 -1.304 -0.859) 2.097 3.696 ( -0.896 -2.087 0.690) 2.373 3.745 ( -0.442 -0.157 1.886) 1.943 3.770 ( 0.418 1.155 2.780) 3.039 3.818 ( 0.121 1.268 -3.777) 3.986 3.878 ( 0.302 1.800 -1.153) 2.159 3.893 ( 0.708 2.215 -3.132) 3.900 3.945 ( -3.494 1.401 -2.147) 4.334 4.030 ( 0.317 0.628 3.741) 3.806 4.152 ( -0.011 -0.068 -0.732) 0.735 4.162 ( 3.302 0.401 2.482) 4.150 4.313 ( -1.857 0.274 -2.792) 3.364 4.375 ( 0.012 0.054 -0.012) 0.057 4.442 ( 1.199 2.523 -4.908) 5.648 5.247 ( -0.032 -0.305 0.322) 0.445 5.253 ( -0.115 0.100 0.096) 0.180 5.673 ( -0.069 -0.117 0.244) 0.279 5.686 ( 0.008 0.612 -0.337) 0.699 6.166 ( 0.331 0.431 -0.029) 0.544 6.190 ( -0.422 0.216 -0.586) 0.754 6.274 ( 0.421 0.325 0.158) 0.555 6.281 ( -0.418 0.206 -0.147) 0.489 6.378 ( -0.159 -0.227 0.820) 0.866 6.386 ( 0.049 -0.147 0.550) 0.572 6.427 ( 0.021 0.030 -0.538) 0.539 6.431 ( 0.558 -0.542 -0.443) 0.896 6.739 ( -0.237 -0.531 0.572) 0.815 6.753 ( 0.089 0.016 -0.054) 0.105 6.828 ( -0.221 0.005 1.444) 1.460 6.848 ( -0.351 -1.304 0.662) 1.504 6.859 ( 0.236 0.114 0.284) 0.386 6.927 ( -0.065 -0.332 -1.950) 1.979 7.097 ( 0.255 0.597 -0.255) 0.698 7.100 ( -0.172 0.470 -0.621) 0.798 7.272 ( -0.009 -0.360 -0.185) 0.405 7.282 ( -0.004 -0.361 -0.572) 0.676 7.426 ( 0.091 0.129 2.026) 2.032 7.462 ( -0.140 0.780 1.067) 1.329 7.500 ( -0.330 -0.452 -0.401) 0.688 7.509 ( 0.776 -0.168 -0.863) 1.173 7.516 ( -0.645 0.352 0.419) 0.846 7.553 ( 0.183 -0.669 0.158) 0.711======================= Grid point 37 (17/42) =======================q-point: ( 0.33 0.10 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.374 ( -3.938 5.177 3.735) 7.501 0.433 ( 1.627 5.409 -5.126) 7.628 0.521 ( -4.195 -2.808 5.137) 7.202 0.639 ( 0.265 0.284 0.700) 0.800 0.698 ( 1.661 -0.686 -0.074) 1.798 0.806 ( -4.867 0.771 -4.407) 6.611 0.848 ( -6.765 2.367 -3.324) 7.901 0.951 ( 2.559 -0.229 0.378) 2.597 1.002 ( 0.957 0.114 -0.655) 1.165 1.019 ( -0.641 -0.260 4.666) 4.717 1.056 ( 2.535 -0.401 -2.154) 3.351 1.133 ( -4.469 2.654 4.508) 6.880 1.232 ( 1.228 -0.530 -2.743) 3.051 1.241 ( 3.245 -1.192 -0.377) 3.478 1.324 ( -0.627 1.178 -1.365) 1.909 1.349 ( 1.978 -1.337 1.815) 2.999 1.377 ( 0.217 -2.084 -4.334) 4.814 1.430 ( 2.840 -1.286 0.783) 3.214 1.457 ( 1.904 3.615 -2.882) 5.000 1.486 ( 2.787 -0.059 0.824) 2.907 1.536 ( 0.003 3.601 4.841) 6.033 1.626 ( -1.484 -1.250 1.200) 2.281 1.678 ( -1.820 0.993 0.448) 2.121 1.722 ( 2.203 -2.335 -1.227) 3.436 1.749 ( 1.057 0.888 -1.137) 1.789 1.808 ( 2.688 -1.364 -0.134) 3.018 1.868 ( -2.711 -1.922 -4.365) 5.486 1.914 ( 1.092 -2.377 2.555) 3.656 1.948 ( -0.100 -2.114 -0.214) 2.127 2.025 ( -3.129 -0.162 3.293) 4.545 2.065 ( -0.996 -0.215 -3.439) 3.586 2.105 ( -0.052 0.737 1.088) 1.315 2.159 ( -3.768 -2.302 -3.942) 5.919 2.211 ( -2.748 0.045 0.178) 2.754 2.241 ( -0.637 -1.304 3.484) 3.774 2.301 ( 1.168 -1.087 0.158) 1.604 2.414 ( 1.498 -1.046 -0.335) 1.858 2.436 ( 2.201 1.116 0.903) 2.628 2.441 ( 1.594 0.879 0.784) 1.981 2.495 ( -2.206 -0.041 0.938) 2.398 2.546 ( 0.964 0.422 -2.190) 2.430 2.589 ( -1.743 1.115 -0.632) 2.164 2.615 ( -1.021 0.781 -2.253) 2.594 2.674 ( 1.467 -0.628 1.317) 2.069 2.729 ( 0.454 -1.233 2.733) 3.032 2.774 ( -0.564 0.764 3.383) 3.513 2.908 ( 2.351 -1.669 -0.608) 2.947 2.986 ( 2.318 -0.441 -0.819) 2.498 3.037 ( -2.879 -3.978 -0.243) 4.916 3.055 ( -2.864 0.258 -1.746) 3.364 3.271 ( -0.139 -0.880 -0.453) 1.000 3.323 ( 1.437 -0.246 1.059) 1.802 3.360 ( 2.600 -1.430 -0.332) 2.986 3.384 ( 1.970 -1.815 -1.533) 3.086 3.422 ( 0.077 1.639 0.052) 1.642 3.487 ( -0.077 -0.983 0.624) 1.167 3.498 ( -0.996 -0.004 3.215) 3.365 3.544 ( 0.594 -1.208 2.875) 3.174 3.586 ( -3.799 0.005 -1.379) 4.041 3.619 ( 1.063 -0.401 2.331) 2.593 3.649 ( 1.121 -0.448 0.306) 1.245 3.666 ( 0.149 -0.747 1.979) 2.120 3.704 ( -2.166 -0.600 -2.482) 3.348 3.766 ( -1.170 2.481 -0.364) 2.767 3.834 ( 1.683 0.320 2.540) 3.064 3.875 ( -1.269 1.109 -0.060) 1.686 3.889 ( 0.185 1.582 -0.637) 1.715 3.958 ( 3.044 1.283 -3.337) 4.696 4.041 ( 0.257 2.058 1.798) 2.745 4.153 ( -0.525 0.103 1.417) 1.514 4.207 ( -0.369 -1.051 -0.510) 1.225 4.288 ( 0.995 0.607 -3.955) 4.123 4.361 ( -0.887 -0.201 -0.554) 1.065 4.423 ( -1.146 0.856 -0.965) 1.726 5.248 ( 0.014 -0.326 0.399) 0.515 5.252 ( 0.061 0.119 0.097) 0.165 5.674 ( 0.100 -0.043 0.192) 0.221 5.687 ( 0.060 0.643 -0.313) 0.717 6.199 ( 1.863 0.025 0.189) 1.873 6.201 ( 1.734 0.359 -0.204) 1.783 6.243 ( -2.485 0.199 -0.371) 2.521 6.266 ( -1.138 -0.087 0.071) 1.144 6.367 ( -0.521 0.020 0.847) 0.994 6.388 ( -0.089 -0.009 0.378) 0.388 6.427 ( 0.075 0.051 -0.467) 0.476 6.430 ( -0.365 -0.423 -0.697) 0.894 6.748 ( 0.798 -0.825 1.070) 1.569 6.781 ( 1.749 -0.091 0.049) 1.752 6.796 ( -1.140 -0.226 0.561) 1.291 6.836 ( -1.877 -0.119 -0.086) 1.883 6.865 ( 0.499 0.172 1.313) 1.415 6.930 ( 0.497 -0.176 -1.690) 1.771 7.098 ( -0.200 0.199 -0.448) 0.529 7.101 ( 0.300 0.397 -0.252) 0.558 7.271 ( -0.018 -0.335 -0.196) 0.389 7.280 ( -0.025 -0.344 -0.574) 0.670 7.439 ( 0.402 0.448 2.080) 2.165 7.460 ( -0.141 -0.309 0.565) 0.659 7.485 ( -0.728 0.036 -0.415) 0.839 7.495 ( -0.659 0.644 1.121) 1.451 7.527 ( 0.449 0.174 -0.429) 0.645 7.547 ( -0.273 -0.186 -0.380) 0.503======================= Grid point 38 (18/42) =======================q-point: (-0.33 0.10 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.241 ( -3.575 -3.520 11.918) 12.931 0.304 ( -8.159 -0.352 3.769) 8.994 0.491 ( 4.708 -0.536 1.438) 4.952 0.643 ( -2.990 0.408 -4.055) 5.054 0.677 ( -2.002 1.849 -4.810) 5.528 0.761 ( -3.356 4.655 -1.267) 5.877 0.827 ( 7.967 2.348 -1.074) 8.375 0.950 ( 0.647 1.770 -3.016) 3.557 0.996 ( -1.700 2.990 5.411) 6.412 1.059 ( 0.087 0.345 1.912) 1.945 1.093 ( 4.010 0.773 -0.322) 4.096 1.133 ( 2.399 0.787 1.133) 2.767 1.203 ( -2.763 -1.679 -2.966) 4.388 1.255 ( -0.607 -0.222 1.830) 1.941 1.314 ( 1.467 -1.210 -1.508) 2.427 1.348 ( -2.001 0.088 -3.491) 4.025 1.412 ( 0.699 2.779 3.449) 4.484 1.435 ( -4.583 -3.119 3.477) 6.544 1.481 ( -2.986 -2.056 -6.630) 7.556 1.538 ( 1.169 0.716 -0.491) 1.456 1.576 ( 2.440 1.458 1.963) 3.454 1.645 ( 0.585 0.441 -4.031) 4.097 1.674 ( 2.168 0.769 6.911) 7.284 1.727 ( -1.149 -2.062 -1.970) 3.075 1.754 ( -0.366 -3.018 0.594) 3.098 1.800 ( -0.273 0.002 0.870) 0.912 1.853 ( -1.428 -1.486 -0.457) 2.111 1.913 ( 1.004 0.154 0.052) 1.017 1.943 ( -0.572 -0.512 -5.026) 5.084 2.032 ( -0.782 -0.627 0.265) 1.037 2.052 ( 2.459 0.171 -0.549) 2.525 2.075 ( -0.138 -1.936 0.931) 2.153 2.094 ( 1.848 -1.141 1.871) 2.867 2.235 ( 3.313 -0.048 -1.396) 3.595 2.259 ( 0.835 -0.895 4.037) 4.219 2.314 ( -0.310 -1.712 3.584) 3.984 2.375 ( -3.463 2.004 0.528) 4.035 2.399 ( -2.524 -2.287 -1.081) 3.574 2.469 ( 0.107 0.880 -1.290) 1.565 2.524 ( 1.884 1.231 -0.492) 2.304 2.539 ( 0.645 0.392 0.967) 1.227 2.576 ( -1.754 1.309 -1.883) 2.887 2.614 ( 1.655 1.642 -2.163) 3.180 2.679 ( -1.099 -1.493 -3.426) 3.895 2.742 ( 0.187 -1.134 3.416) 3.604 2.779 ( 0.358 0.810 2.251) 2.419 2.910 ( -3.575 -2.146 0.977) 4.282 2.974 ( -0.733 -1.630 -0.440) 1.840 3.011 ( 1.825 -2.085 -0.774) 2.877 3.072 ( 2.877 -1.565 0.352) 3.294 3.265 ( -0.695 0.001 0.717) 0.998 3.337 ( -1.860 0.608 -1.945) 2.759 3.347 ( -0.208 -1.119 0.149) 1.148 3.394 ( -2.472 -1.919 -1.128) 3.327 3.450 ( 1.198 1.119 1.154) 2.005 3.466 ( -0.649 -1.776 1.364) 2.332 3.513 ( 0.172 -0.072 0.933) 0.951 3.530 ( 0.891 -1.491 0.459) 1.796 3.573 ( 0.753 -0.396 2.659) 2.792 3.616 ( -1.132 -0.637 0.775) 1.512 3.653 ( 0.138 -0.652 -1.090) 1.277 3.692 ( 0.948 0.567 0.375) 1.166 3.712 ( 2.235 -0.423 1.119) 2.535 3.757 ( 0.486 1.130 0.719) 1.425 3.819 ( -1.309 1.943 0.567) 2.410 3.884 ( -0.307 1.109 -1.706) 2.057 3.895 ( 1.137 -0.045 -0.643) 1.307 4.020 ( 0.980 0.361 0.508) 1.161 4.043 ( -0.949 1.112 -0.911) 1.723 4.104 ( -2.167 1.737 3.756) 4.671 4.167 ( -1.224 -1.019 -2.617) 3.063 4.339 ( 1.941 0.229 -4.900) 5.275 4.361 ( 1.167 0.572 0.913) 1.588 4.399 ( -0.166 1.059 -0.814) 1.346 5.248 ( -0.059 -0.277 0.322) 0.429 5.254 ( 0.033 0.160 0.091) 0.187 5.675 ( -0.074 -0.018 0.163) 0.180 5.687 ( 0.004 0.628 -0.309) 0.700 6.184 ( -1.969 0.411 -0.113) 2.015 6.214 ( -0.816 0.135 -0.007) 0.827 6.250 ( 1.001 -0.219 -0.473) 1.129 6.262 ( 2.002 0.175 0.118) 2.013 6.368 ( 0.487 -0.050 0.922) 1.044 6.385 ( -0.049 -0.008 0.291) 0.296 6.422 ( -0.070 -0.188 -0.375) 0.425 6.427 ( 0.004 0.086 -0.443) 0.451 6.751 ( -0.795 -0.790 1.093) 1.565 6.782 ( -2.135 -0.040 -0.077) 2.137 6.799 ( 1.429 -0.289 0.733) 1.632 6.830 ( 1.781 -0.134 -0.189) 1.796 6.868 ( -0.485 -0.074 1.217) 1.312 6.934 ( -0.043 -0.303 -1.577) 1.606 7.092 ( -0.040 0.297 -0.179) 0.349 7.105 ( 0.030 0.492 -0.691) 0.848 7.271 ( 0.071 -0.261 -0.229) 0.355 7.281 ( 0.157 -0.429 -0.573) 0.732 7.432 ( -0.765 -0.148 1.524) 1.712 7.468 ( -0.598 0.928 0.804) 1.365 7.479 ( 1.440 -0.337 0.701) 1.637 7.497 ( 0.405 0.232 0.753) 0.886 7.531 ( -0.126 0.430 -0.897) 1.003 7.541 ( 0.031 -0.308 0.077) 0.319======================= Grid point 39 (19/42) =======================q-point: ( 0.00 0.20 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.452 ( 5.923 0.978 6.956) 9.188 0.505 ( 2.963 5.304 2.438) 6.547 0.552 ( 2.322 -2.215 5.073) 6.003 0.582 ( 1.318 2.462 -0.540) 2.844 0.675 ( 1.790 1.322 -0.540) 2.290 0.791 ( 0.327 3.760 4.839) 6.137 0.945 ( 1.136 3.130 4.722) 5.778 0.973 ( 1.588 0.036 -1.949) 2.514 1.034 ( 2.332 -0.157 -2.117) 3.153 1.077 ( -0.647 1.380 -0.628) 1.648 1.116 ( -6.276 1.424 -0.956) 6.506 1.133 ( 0.367 -1.462 -2.482) 2.904 1.191 ( -6.264 -0.425 -4.494) 7.721 1.249 ( -0.445 1.995 -2.159) 2.973 1.280 ( 1.654 0.962 1.714) 2.568 1.330 ( -2.023 -3.326 2.199) 4.471 1.380 ( -0.402 1.657 0.180) 1.714 1.400 ( 1.552 -0.484 -1.953) 2.542 1.440 ( 2.371 1.227 1.684) 3.156 1.465 ( -3.666 -0.436 -0.354) 3.709 1.568 ( -2.467 -1.771 -6.834) 7.478 1.621 ( 3.331 -3.850 -3.194) 6.010 1.649 ( -0.559 -1.899 -0.945) 2.193 1.709 ( 0.447 2.102 3.097) 3.769 1.757 ( -1.362 0.515 -2.361) 2.774 1.771 ( -0.219 -1.511 0.703) 1.680 1.817 ( 1.576 -0.220 1.295) 2.051 1.853 ( -0.790 -3.519 -1.017) 3.747 1.969 ( -2.692 -0.359 3.256) 4.240 2.028 ( 0.724 -1.891 0.969) 2.245 2.070 ( -0.524 -2.204 5.684) 6.119 2.131 ( 2.377 3.588 -1.224) 4.475 2.177 ( 1.412 -1.166 -0.758) 1.982 2.218 ( 0.385 -1.922 -1.834) 2.684 2.248 ( -0.723 -1.652 -1.277) 2.210 2.284 ( 1.862 -2.429 1.243) 3.303 2.326 ( 0.605 2.240 -3.327) 4.056 2.407 ( 1.280 -0.006 4.502) 4.680 2.442 ( -1.267 0.714 4.418) 4.651 2.473 ( -0.784 -0.361 2.740) 2.873 2.580 ( -0.420 0.025 -3.233) 3.260 2.623 ( -1.110 -1.475 -1.938) 2.677 2.624 ( 0.967 -1.189 -1.561) 2.187 2.652 ( -0.553 1.078 -1.861) 2.221 2.720 ( -0.643 0.326 2.785) 2.876 2.763 ( -1.273 -0.357 3.479) 3.722 2.844 ( 1.526 -0.013 -1.682) 2.271 2.974 ( 1.035 -1.506 -3.209) 3.693 3.005 ( 0.158 -2.716 1.380) 3.051 3.060 ( 1.678 -2.835 -1.524) 3.630 3.275 ( -0.418 -0.345 -0.159) 0.565 3.286 ( -1.740 0.024 0.440) 1.795 3.305 ( -1.402 -1.615 0.563) 2.212 3.357 ( -0.486 0.713 -0.796) 1.174 3.417 ( 2.423 -3.524 3.542) 5.553 3.460 ( 0.351 1.057 1.025) 1.514 3.501 ( -0.868 -0.177 -0.683) 1.118 3.521 ( 0.775 -0.140 1.154) 1.397 3.546 ( -0.672 -1.757 1.619) 2.482 3.608 ( 0.425 -0.471 0.541) 0.834 3.646 ( -0.305 0.735 -2.610) 2.728 3.683 ( -0.113 0.551 1.162) 1.291 3.734 ( -1.438 -1.085 0.123) 1.806 3.799 ( -0.083 1.760 4.138) 4.498 3.842 ( -0.035 0.823 -2.936) 3.050 3.906 ( 1.236 1.323 -1.050) 2.092 3.953 ( 0.959 3.037 -1.423) 3.488 3.970 ( -2.865 0.846 -2.532) 3.916 4.045 ( 0.944 0.901 3.035) 3.304 4.152 ( 0.333 0.028 -0.770) 0.839 4.175 ( 1.300 0.722 2.752) 3.128 4.306 ( -1.103 -0.764 -0.513) 1.436 4.377 ( -0.154 0.053 -1.675) 1.683 4.452 ( 0.562 -0.998 -4.030) 4.189 5.239 ( -0.088 -0.443 0.405) 0.607 5.256 ( -0.052 0.272 -0.243) 0.369 5.670 ( -0.075 -0.074 0.638) 0.647 5.702 ( 0.039 0.814 -0.678) 1.060 6.168 ( 0.148 -0.136 0.159) 0.257 6.194 ( -0.161 0.171 -0.696) 0.734 6.283 ( -0.053 0.522 0.129) 0.540 6.287 ( -0.035 0.406 -0.031) 0.409 6.373 ( -0.020 -0.278 0.648) 0.706 6.382 ( 0.037 -0.247 0.482) 0.543 6.421 ( 0.246 -0.379 -0.222) 0.504 6.428 ( -0.016 0.061 -0.545) 0.549 6.724 ( -0.235 -0.933 0.800) 1.251 6.752 ( 0.078 -0.055 -0.382) 0.394 6.823 ( -1.311 -0.762 0.548) 1.613 6.830 ( 1.252 -0.093 0.576) 1.382 6.863 ( 0.172 0.284 0.493) 0.595 6.918 ( -0.083 -0.469 -1.231) 1.320 7.104 ( 0.014 0.168 -0.347) 0.386 7.113 ( -0.101 0.821 -0.504) 0.969 7.263 ( -0.042 -0.509 -0.090) 0.519 7.271 ( 0.027 -0.652 -0.409) 0.770 7.429 ( 0.383 0.173 1.760) 1.810 7.477 ( -0.683 0.226 0.248) 0.761 7.490 ( -0.252 -0.090 -0.288) 0.393 7.505 ( 0.789 -0.221 -0.687) 1.069 7.526 ( -0.267 0.591 0.740) 0.984 7.554 ( 0.077 0.602 0.040) 0.608======================= Grid point 40 (20/42) =======================q-point: ( 0.33 0.20 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.331 ( -7.067 -3.336 0.210) 7.818 0.482 ( -2.246 0.289 -5.896) 6.316 0.585 ( -7.504 4.856 -2.250) 9.217 0.706 ( 5.147 4.094 -0.329) 6.585 0.733 ( 1.326 3.206 5.807) 6.765 0.789 ( -3.632 0.099 1.315) 3.864 0.926 ( -7.506 3.909 -4.782) 9.721 0.951 ( 0.850 0.575 3.758) 3.896 1.011 ( 2.566 -0.062 -0.189) 2.574 1.025 ( 2.625 1.101 -0.861) 2.973 1.094 ( 0.777 3.075 -0.420) 3.199 1.166 ( -2.100 0.932 0.871) 2.457 1.191 ( 3.544 -3.371 2.549) 5.516 1.212 ( -0.332 -0.574 -0.726) 0.983 1.296 ( -1.645 -2.967 -3.342) 4.762 1.315 ( 3.221 -2.126 -2.705) 4.713 1.350 ( 1.497 0.665 -0.285) 1.663 1.451 ( 1.387 2.164 3.948) 4.710 1.474 ( 2.718 -0.691 1.659) 3.259 1.513 ( 2.300 1.845 0.691) 3.029 1.562 ( 1.446 -3.684 -2.832) 4.867 1.622 ( 0.430 -1.158 -1.539) 1.973 1.683 ( -0.544 -0.837 -1.698) 1.970 1.717 ( -1.111 4.249 4.860) 6.551 1.746 ( -0.527 -1.016 -0.438) 1.226 1.759 ( 2.729 -3.217 -1.302) 4.414 1.835 ( -1.061 -2.669 1.553) 3.265 1.856 ( 0.509 -1.008 -0.603) 1.280 1.908 ( -1.166 -1.020 -0.393) 1.598 2.007 ( -1.403 -2.627 4.051) 5.028 2.046 ( -1.996 -0.677 4.988) 5.415 2.127 ( -4.642 1.916 -6.549) 8.253 2.154 ( -1.104 1.115 -1.552) 2.207 2.210 ( -0.273 -1.424 1.132) 1.839 2.225 ( 1.388 -0.958 -2.275) 2.832 2.267 ( -2.779 0.249 2.103) 3.494 2.378 ( 2.850 -2.485 -2.508) 4.537 2.450 ( -0.466 -1.679 0.491) 1.810 2.470 ( 0.256 1.859 1.478) 2.389 2.492 ( 3.722 0.085 1.040) 3.866 2.551 ( -0.779 0.082 -2.975) 3.076 2.599 ( -0.010 -0.636 -0.132) 0.649 2.622 ( -0.901 0.145 0.284) 0.955 2.672 ( 2.324 0.629 -0.992) 2.604 2.697 ( -0.937 -1.003 2.360) 2.730 2.786 ( 0.164 0.115 3.400) 3.406 2.877 ( 1.156 -1.591 -1.455) 2.447 2.955 ( -0.734 -1.895 -1.410) 2.473 2.970 ( -2.202 -2.719 0.414) 3.524 3.060 ( -1.969 -0.022 -1.149) 2.280 3.263 ( 0.580 0.174 -0.614) 0.862 3.304 ( 1.508 -3.435 -0.785) 3.833 3.315 ( 1.757 -1.219 0.562) 2.211 3.336 ( -0.395 -1.060 -0.099) 1.135 3.459 ( -0.845 0.975 -0.197) 1.305 3.471 ( 0.820 -1.143 0.126) 1.413 3.498 ( -0.194 -0.345 3.313) 3.337 3.524 ( 0.331 0.107 0.016) 0.349 3.566 ( -0.094 -2.502 0.752) 2.614 3.594 ( 0.660 -1.149 1.409) 1.934 3.658 ( 0.422 0.584 -0.620) 0.951 3.669 ( -1.240 0.704 2.831) 3.170 3.704 ( 0.476 1.639 -1.627) 2.358 3.808 ( -1.718 1.431 0.827) 2.384 3.828 ( 1.770 -0.401 1.140) 2.143 3.909 ( -1.489 1.795 -2.328) 3.295 3.931 ( -0.550 2.199 0.950) 2.458 3.988 ( 2.214 1.495 -1.235) 2.943 4.082 ( 1.163 1.731 0.056) 2.086 4.158 ( 0.045 0.090 0.171) 0.199 4.191 ( -0.793 -0.129 1.377) 1.594 4.287 ( 0.410 -0.502 -1.565) 1.694 4.362 ( -0.540 0.050 -1.754) 1.836 4.427 ( -1.401 -0.571 -1.753) 2.315 5.239 ( 0.014 -0.493 0.517) 0.714 5.256 ( 0.081 0.277 -0.251) 0.383 5.673 ( 0.110 -0.062 0.577) 0.590 5.702 ( 0.100 0.829 -0.637) 1.050 6.196 ( 2.029 -0.275 0.370) 2.080 6.210 ( 1.641 0.460 -0.523) 1.782 6.247 ( -2.279 0.202 -0.132) 2.291 6.265 ( -2.056 0.027 0.021) 2.057 6.368 ( -0.150 0.133 0.722) 0.750 6.387 ( 0.082 -0.017 0.453) 0.461 6.421 ( -0.182 -0.436 -0.417) 0.630 6.428 ( 0.089 0.056 -0.590) 0.600 6.728 ( 0.428 -1.053 1.131) 1.604 6.778 ( 1.651 -0.239 -0.188) 1.679 6.790 ( -1.007 -0.312 0.083) 1.057 6.831 ( -1.425 -0.344 -0.293) 1.495 6.873 ( 0.516 0.545 1.174) 1.394 6.924 ( 0.516 -0.400 -1.202) 1.368 7.102 ( -0.143 0.170 -0.098) 0.243 7.111 ( 0.068 0.617 -0.419) 0.749 7.262 ( -0.007 -0.538 -0.120) 0.551 7.270 ( -0.042 -0.599 -0.398) 0.721 7.448 ( 0.835 0.245 1.691) 1.902 7.453 ( -1.174 -0.196 0.104) 1.194 7.486 ( 0.018 0.127 -0.434) 0.452 7.511 ( -0.331 0.834 0.861) 1.243 7.529 ( 0.487 -0.021 -0.023) 0.488 7.549 ( -0.308 0.610 -0.554) 0.879======================= Grid point 41 (21/42) =======================q-point: (-0.33 0.20 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.279 ( 2.859 5.177 2.995) 6.629 0.370 ( -0.915 5.661 0.211) 5.739 0.527 ( 1.931 1.794 1.403) 2.986 0.635 ( -2.118 -2.387 -5.487) 6.347 0.691 ( -4.764 1.854 -0.978) 5.205 0.785 ( -0.732 1.698 -2.233) 2.899 0.873 ( 4.009 2.348 2.880) 5.466 1.011 ( -1.560 0.020 -1.322) 2.045 1.032 ( -0.671 1.839 3.330) 3.863 1.061 ( 0.256 -0.416 1.055) 1.163 1.125 ( 3.311 1.831 2.116) 4.335 1.134 ( -0.216 0.361 -2.788) 2.819 1.216 ( 1.392 1.958 -1.935) 3.085 1.246 ( 1.359 -0.066 2.407) 2.765 1.292 ( 2.538 -0.136 -2.953) 3.896 1.355 ( -1.241 -0.314 -0.030) 1.280 1.381 ( -3.510 -0.989 1.893) 4.108 1.429 ( -0.311 -1.335 -4.460) 4.665 1.497 ( -2.573 0.744 2.746) 3.837 1.540 ( -1.591 1.509 -0.879) 2.362 1.592 ( 1.810 -0.825 1.321) 2.388 1.612 ( -2.827 -4.989 -0.883) 5.802 1.664 ( -0.413 -2.286 -2.116) 3.142 1.706 ( -0.414 0.456 0.105) 0.625 1.730 ( 1.710 2.987 4.259) 5.476 1.784 ( -1.031 -1.091 1.804) 2.347 1.811 ( -1.018 -2.259 -0.904) 2.638 1.901 ( 1.205 -2.369 -0.380) 2.685 1.932 ( 2.368 -0.711 -1.057) 2.689 2.001 ( 1.685 -0.640 -1.114) 2.119 2.020 ( 1.380 -2.526 5.395) 6.115 2.065 ( 1.011 0.719 -5.956) 6.083 2.143 ( 1.034 4.093 1.959) 4.654 2.216 ( 0.479 -0.528 -0.472) 0.855 2.242 ( -0.180 -2.234 2.694) 3.504 2.258 ( 0.064 -2.428 4.852) 5.426 2.365 ( -1.691 -1.140 -3.450) 4.007 2.406 ( -2.203 -0.695 -1.133) 2.573 2.470 ( -0.543 -0.270 -0.451) 0.755 2.503 ( -1.925 -1.103 0.491) 2.273 2.587 ( 2.670 1.853 -1.900) 3.765 2.604 ( -0.626 0.884 -2.643) 2.857 2.635 ( 1.744 0.912 -1.085) 2.247 2.669 ( -1.846 0.285 -1.433) 2.354 2.711 ( 0.561 -1.507 3.699) 4.034 2.777 ( 0.833 -1.109 1.557) 2.085 2.864 ( -3.114 -1.720 0.345) 3.574 2.926 ( 1.458 -3.359 -0.669) 3.722 2.996 ( 0.265 0.438 0.966) 1.094 3.028 ( 1.155 -1.873 -0.607) 2.283 3.284 ( 0.487 1.314 -0.336) 1.441 3.315 ( -0.295 -2.494 -0.316) 2.531 3.323 ( 0.061 -1.458 -1.240) 1.915 3.354 ( 0.567 -2.626 1.420) 3.038 3.421 ( -2.925 -1.036 0.788) 3.201 3.463 ( -1.117 -0.725 -0.303) 1.366 3.500 ( 0.927 0.440 0.370) 1.091 3.531 ( 0.616 0.743 -0.745) 1.219 3.554 ( -0.495 -1.313 2.111) 2.535 3.599 ( -1.022 -0.761 0.870) 1.543 3.651 ( -0.556 0.407 0.737) 1.009 3.690 ( 0.739 -0.529 1.393) 1.664 3.733 ( 1.907 1.785 1.784) 3.163 3.774 ( -0.285 0.299 -1.199) 1.269 3.866 ( -1.876 3.062 0.159) 3.595 3.881 ( 1.894 -0.906 0.221) 2.111 3.930 ( 0.833 2.455 -1.411) 2.951 4.028 ( 0.451 0.207 -0.214) 0.541 4.063 ( -2.853 1.030 -0.019) 3.033 4.151 ( -0.892 0.475 -1.560) 1.859 4.154 ( -0.251 1.758 2.423) 3.004 4.314 ( 0.794 -1.507 -0.527) 1.783 4.374 ( 1.107 -0.015 -2.395) 2.638 4.414 ( 1.449 0.062 -1.732) 2.260 5.240 ( -0.030 -0.483 0.465) 0.671 5.258 ( 0.026 0.215 -0.244) 0.326 5.673 ( -0.167 -0.108 0.565) 0.599 5.703 ( 0.007 0.832 -0.635) 1.047 6.190 ( -1.978 0.115 0.094) 1.983 6.217 ( -1.506 0.059 -0.260) 1.530 6.249 ( 1.977 0.091 -0.152) 1.985 6.265 ( 2.354 0.136 0.007) 2.358 6.369 ( 0.027 0.134 0.772) 0.784 6.384 ( -0.235 -0.090 0.367) 0.445 6.417 ( 0.008 -0.281 -0.340) 0.441 6.429 ( 0.048 0.108 -0.545) 0.558 6.731 ( -0.449 -1.058 1.210) 1.669 6.779 ( -1.839 -0.312 -0.492) 1.929 6.792 ( 1.301 -0.306 0.393) 1.393 6.824 ( 1.257 -0.336 -0.318) 1.339 6.872 ( -0.801 0.403 0.934) 1.294 6.926 ( -0.189 -0.407 -1.012) 1.107 7.100 ( 0.159 0.354 -0.087) 0.397 7.115 ( 0.147 0.567 -0.496) 0.768 7.263 ( 0.073 -0.556 -0.105) 0.571 7.270 ( 0.107 -0.600 -0.425) 0.743 7.430 ( -0.689 0.027 0.935) 1.162 7.470 ( 0.914 -0.290 0.030) 0.959 7.491 ( 0.246 0.511 0.939) 1.097 7.502 ( -0.500 0.722 0.675) 1.107 7.534 ( -0.297 -0.280 -0.499) 0.644 7.547 ( 0.359 0.932 -0.318) 1.048======================= Grid point 42 (22/42) =======================q-point: ( 0.00 0.30 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.409 ( -4.242 -1.623 -0.246) 4.549 0.510 ( 3.209 -2.556 4.465) 6.064 0.528 ( 8.447 0.765 9.977) 13.095 0.707 ( 5.262 5.060 -0.563) 7.322 0.768 ( -0.191 5.947 -1.406) 6.114 0.837 ( 2.016 1.774 4.011) 4.827 0.949 ( -0.761 -3.267 0.955) 3.488 0.993 ( 1.112 0.499 1.626) 2.032 1.017 ( 2.709 0.051 -1.983) 3.357 1.109 ( -4.652 0.492 -3.726) 5.981 1.126 ( -0.088 2.548 -1.379) 2.898 1.168 ( -2.242 2.606 2.294) 4.132 1.209 ( -4.006 2.099 -0.135) 4.525 1.260 ( -4.268 -2.840 2.937) 5.908 1.270 ( -0.925 0.126 -1.912) 2.128 1.326 ( 2.718 2.691 -1.029) 3.961 1.384 ( -0.725 -0.448 0.669) 1.084 1.420 ( 0.026 1.309 -2.707) 3.007 1.442 ( -4.796 -1.827 -0.864) 5.205 1.480 ( 3.163 2.274 -3.507) 5.242 1.511 ( 3.456 -3.823 -3.432) 6.192 1.554 ( -0.867 -1.129 -4.593) 4.808 1.615 ( -0.909 -1.134 -0.303) 1.484 1.710 ( -0.006 -2.961 0.556) 3.013 1.730 ( 1.124 -1.022 2.636) 3.043 1.769 ( -3.386 -1.015 2.047) 4.085 1.808 ( -1.544 0.279 -2.926) 3.320 1.824 ( 0.617 -0.186 -0.465) 0.794 1.943 ( 0.663 -1.883 3.015) 3.616 1.993 ( -0.721 -1.113 1.703) 2.159 2.026 ( 0.704 -1.766 4.378) 4.773 2.141 ( 1.175 -2.243 2.701) 3.702 2.157 ( 1.830 -1.561 -0.821) 2.542 2.202 ( 1.936 -1.644 1.857) 3.146 2.232 ( 1.292 -0.465 -2.201) 2.594 2.259 ( -1.561 2.482 -2.163) 3.643 2.357 ( 0.183 0.079 -4.187) 4.191 2.385 ( 1.397 -1.113 1.969) 2.658 2.446 ( 0.154 0.207 0.684) 0.731 2.508 ( 0.191 1.790 1.956) 2.658 2.536 ( -2.306 -3.001 -0.971) 3.908 2.579 ( -1.152 -2.216 -1.461) 2.894 2.641 ( 0.471 1.954 -1.725) 2.648 2.659 ( -0.579 0.240 0.961) 1.148 2.737 ( -0.153 1.042 2.595) 2.801 2.761 ( -1.345 -0.116 1.526) 2.037 2.847 ( 3.451 -1.355 -3.022) 4.783 2.906 ( 2.071 -1.971 0.728) 2.950 2.978 ( -1.497 -1.813 0.818) 2.489 3.019 ( -0.288 -0.757 -1.799) 1.973 3.225 ( -0.421 -3.584 -0.653) 3.668 3.272 ( -0.495 -0.814 -1.776) 2.015 3.317 ( -0.200 0.820 1.918) 2.095 3.334 ( 0.407 -1.874 2.734) 3.340 3.351 ( 0.276 -2.380 2.903) 3.764 3.473 ( 0.005 0.587 0.118) 0.599 3.514 ( 0.145 0.532 -0.845) 1.009 3.537 ( -2.179 0.915 0.123) 2.366 3.549 ( 0.175 2.316 -0.273) 2.338 3.612 ( 0.223 0.770 -0.540) 0.966 3.663 ( 1.036 0.635 0.287) 1.249 3.699 ( -1.838 -0.674 -3.037) 3.614 3.716 ( 0.996 1.363 1.169) 2.053 3.825 ( 2.010 -0.566 2.784) 3.480 3.849 ( -1.750 0.869 -1.394) 2.400 3.939 ( 0.977 2.016 0.244) 2.254 3.976 ( -1.165 -0.004 -1.629) 2.002 3.995 ( -0.581 0.795 1.894) 2.134 4.075 ( 0.887 2.023 0.998) 2.423 4.144 ( 0.244 -0.860 -1.104) 1.421 4.188 ( 0.462 0.484 1.574) 1.710 4.289 ( -0.535 -0.865 -0.925) 1.375 4.371 ( -0.221 -0.649 -1.615) 1.755 4.426 ( 0.344 -1.207 -2.029) 2.385 5.229 ( -0.095 -0.530 0.773) 0.942 5.264 ( 0.032 0.414 -0.622) 0.748 5.670 ( -0.047 0.081 0.926) 0.930 5.716 ( 0.047 0.520 -0.954) 1.087 6.164 ( -0.048 -0.273 0.510) 0.581 6.196 ( 0.050 -0.006 -0.777) 0.779 6.293 ( -0.849 0.463 0.041) 0.968 6.297 ( 0.741 0.531 -0.005) 0.912 6.369 ( 0.121 -0.146 0.523) 0.556 6.377 ( -0.042 -0.248 0.575) 0.628 6.415 ( 0.118 -0.293 -0.173) 0.360 6.429 ( -0.053 0.029 -0.649) 0.652 6.704 ( -0.228 -1.000 1.042) 1.462 6.750 ( 0.138 -0.145 -0.891) 0.913 6.809 ( -0.277 -0.547 0.560) 0.830 6.832 ( 0.405 0.154 -0.165) 0.463 6.869 ( 0.120 0.299 0.572) 0.656 6.909 ( -0.124 -0.379 -0.733) 0.834 7.108 ( -0.044 0.240 0.152) 0.287 7.128 ( -0.106 0.622 -0.593) 0.867 7.252 ( -0.033 -0.614 -0.002) 0.615 7.258 ( 0.012 -0.586 -0.290) 0.654 7.433 ( 0.353 0.212 1.372) 1.432 7.469 ( -0.642 -0.495 -0.078) 0.814 7.490 ( 0.753 -0.392 -0.721) 1.114 7.507 ( -0.509 0.424 -0.837) 1.068 7.541 ( 0.121 0.886 1.280) 1.561 7.570 ( -0.002 0.895 -0.074) 0.898======================= Grid point 43 (23/42) =======================q-point: ( 0.33 0.30 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.344 ( -0.052 3.367 -4.266) 5.435 0.483 ( -2.619 -1.118 -2.418) 3.736 0.636 ( -7.639 2.088 -3.970) 8.858 0.774 ( -1.190 2.253 -2.160) 3.340 0.780 ( 0.185 3.428 1.157) 3.623 0.847 ( 1.382 2.480 7.403) 7.928 0.937 ( 0.905 -3.249 1.257) 3.599 0.979 ( -4.408 1.031 -4.615) 6.465 1.011 ( -1.585 0.915 2.978) 3.496 1.054 ( 1.641 1.909 0.531) 2.572 1.105 ( 3.540 -1.933 -0.071) 4.035 1.151 ( -0.524 1.902 3.149) 3.716 1.188 ( 0.487 0.429 -0.095) 0.656 1.249 ( 0.387 2.152 2.636) 3.424 1.266 ( -1.971 0.777 -0.594) 2.200 1.296 ( 2.764 0.393 -2.855) 3.993 1.360 ( 1.344 -0.045 -1.993) 2.404 1.424 ( 1.196 -3.895 -0.595) 4.117 1.467 ( -1.948 -3.097 0.173) 3.662 1.504 ( 3.834 2.336 2.181) 4.992 1.556 ( 0.833 0.269 -1.068) 1.381 1.597 ( 2.457 0.982 -1.836) 3.221 1.635 ( 2.209 -3.369 -4.325) 5.911 1.679 ( -1.271 -4.054 3.895) 5.764 1.719 ( -2.031 -1.165 -0.582) 2.413 1.753 ( 1.470 -1.040 3.679) 4.096 1.790 ( -1.128 -2.247 2.020) 3.225 1.871 ( 2.826 0.256 -2.195) 3.587 1.924 ( -1.261 2.071 1.036) 2.637 1.964 ( -1.293 -0.582 3.137) 3.443 2.038 ( -0.770 -0.337 4.129) 4.213 2.151 ( -2.253 -0.802 -4.000) 4.660 2.167 ( -1.915 -0.479 -1.388) 2.413 2.184 ( 0.358 -0.091 -2.169) 2.200 2.217 ( -0.194 2.289 -2.575) 3.451 2.273 ( -0.851 -1.562 0.290) 1.802 2.334 ( 0.388 -2.396 -6.603) 7.035 2.397 ( -1.168 -1.898 2.302) 3.204 2.443 ( -0.981 -2.819 2.354) 3.801 2.502 ( 1.962 -0.233 -0.686) 2.091 2.562 ( 2.236 -1.894 3.219) 4.353 2.563 ( 1.075 -0.228 -2.221) 2.478 2.646 ( -1.134 2.111 2.734) 3.636 2.686 ( -0.493 -0.176 0.877) 1.021 2.709 ( 2.389 2.695 -2.904) 4.626 2.783 ( -2.194 -0.343 3.775) 4.379 2.842 ( -1.338 -1.522 -0.668) 2.134 2.911 ( -1.635 -2.745 0.241) 3.204 2.931 ( 0.206 -1.045 -0.836) 1.354 3.054 ( 1.640 -0.071 -2.047) 2.625 3.226 ( 0.225 -4.590 -0.087) 4.596 3.276 ( 1.021 1.112 -2.033) 2.532 3.310 ( 0.421 1.338 0.939) 1.688 3.335 ( -0.439 0.315 1.575) 1.665 3.432 ( 2.492 -2.238 2.305) 4.066 3.450 ( -0.578 -2.527 0.485) 2.637 3.490 ( -2.094 -0.540 1.418) 2.585 3.515 ( 1.398 0.670 -1.083) 1.891 3.556 ( 0.936 0.596 0.872) 1.411 3.585 ( -2.124 0.646 -0.637) 2.310 3.653 ( -0.466 -0.602 -0.790) 1.097 3.687 ( -1.143 0.975 2.073) 2.560 3.761 ( 2.196 2.782 -2.053) 4.096 3.816 ( -1.529 -0.189 -1.235) 1.975 3.833 ( -0.198 0.531 3.148) 3.198 3.936 ( 0.402 1.025 -2.331) 2.578 3.968 ( -0.727 1.375 1.508) 2.166 4.010 ( 1.134 0.595 1.184) 1.744 4.110 ( 1.098 0.936 0.366) 1.488 4.147 ( 0.050 -0.744 -1.102) 1.331 4.210 ( 0.544 1.493 1.171) 1.973 4.278 ( 0.238 -0.391 -0.992) 1.093 4.352 ( -0.564 -1.116 -1.857) 2.239 4.408 ( -1.185 -1.014 -1.515) 2.174 5.229 ( -0.054 -0.531 0.835) 0.991 5.264 ( 0.055 0.409 -0.612) 0.738 5.673 ( 0.044 0.087 0.909) 0.914 5.717 ( 0.159 0.552 -0.944) 1.105 6.190 ( 2.086 -0.341 0.400) 2.151 6.216 ( 1.819 0.156 -0.521) 1.898 6.252 ( -2.342 0.303 -0.019) 2.362 6.267 ( -2.690 0.098 0.051) 2.692 6.372 ( 0.269 0.244 0.476) 0.598 6.387 ( 0.137 -0.079 0.695) 0.713 6.414 ( -0.138 -0.325 -0.298) 0.462 6.429 ( 0.152 0.032 -0.760) 0.776 6.707 ( 0.288 -0.979 1.253) 1.616 6.772 ( 1.412 -0.346 -1.014) 1.773 6.786 ( -0.917 -0.065 0.406) 1.005 6.824 ( -1.170 -0.260 -0.551) 1.320 6.883 ( 0.575 0.397 0.868) 1.114 6.916 ( 0.523 -0.331 -0.700) 0.934 7.106 ( -0.117 0.256 0.321) 0.427 7.123 ( -0.100 0.524 -0.499) 0.730 7.249 ( -0.081 -0.653 0.031) 0.658 7.258 ( 0.016 -0.541 -0.301) 0.619 7.443 ( -0.057 -0.361 0.324) 0.488 7.458 ( -0.127 0.333 1.133) 1.188 7.491 ( -0.121 0.343 -1.039) 1.101 7.512 ( 0.639 -0.642 -0.402) 0.991 7.540 ( -0.350 1.036 1.101) 1.552 7.567 ( -0.137 0.960 -0.315) 1.019======================= Grid point 44 (24/42) =======================q-point: (-0.33 0.30 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.340 ( 0.407 1.146 1.750) 2.131 0.458 ( 1.828 0.421 -4.145) 4.549 0.500 ( -0.768 -1.389 -2.632) 3.073 0.648 ( -3.026 3.327 -4.815) 6.588 0.770 ( -1.046 4.835 2.465) 5.527 0.845 ( -2.793 3.140 -1.387) 4.425 0.923 ( 2.332 0.721 1.142) 2.695 0.974 ( -0.304 -2.233 6.098) 6.501 1.012 ( -1.072 1.008 -0.270) 1.496 1.108 ( 2.493 2.875 1.720) 4.176 1.142 ( -0.475 1.043 -0.543) 1.268 1.188 ( 1.362 1.609 1.739) 2.732 1.205 ( 2.961 0.381 -1.412) 3.302 1.260 ( 1.918 -1.109 2.627) 3.436 1.313 ( 2.141 1.776 -0.641) 2.854 1.329 ( -0.775 -1.085 -2.157) 2.536 1.382 ( -1.223 0.135 0.139) 1.239 1.412 ( -0.172 -2.251 -0.878) 2.422 1.441 ( 1.064 -3.293 -1.948) 3.971 1.509 ( -3.267 -1.706 1.344) 3.923 1.583 ( -4.834 -0.515 -2.486) 5.461 1.611 ( -0.155 1.761 -0.684) 1.895 1.623 ( -0.807 -0.505 -1.624) 1.883 1.680 ( 1.438 -3.408 -0.386) 3.719 1.715 ( 0.898 -2.107 2.845) 3.652 1.773 ( 0.866 -0.540 2.675) 2.863 1.835 ( 3.449 -1.749 3.714) 5.362 1.863 ( -1.532 3.616 1.157) 4.094 1.939 ( -3.112 1.189 -3.213) 4.628 1.967 ( 0.133 -2.729 3.591) 4.513 1.983 ( 1.338 -1.414 0.797) 2.104 2.080 ( 1.396 -0.064 -6.383) 6.535 2.165 ( 0.086 -2.762 -0.259) 2.776 2.185 ( -1.543 -1.933 2.543) 3.547 2.234 ( -0.094 1.545 -2.027) 2.550 2.253 ( 1.368 0.874 2.006) 2.581 2.329 ( 1.224 -3.741 -4.462) 5.950 2.360 ( -0.617 -0.169 0.083) 0.645 2.471 ( 0.307 0.145 1.328) 1.370 2.507 ( -1.288 0.869 -2.075) 2.592 2.579 ( 0.299 -2.268 -0.017) 2.287 2.610 ( -2.176 0.424 -1.335) 2.588 2.655 ( 3.404 0.790 -0.258) 3.504 2.675 ( 0.431 -0.115 2.080) 2.127 2.691 ( -2.618 -0.534 1.014) 2.858 2.745 ( 1.360 -1.628 0.917) 2.311 2.848 ( 1.795 -2.485 1.490) 3.409 2.865 ( -3.422 0.149 -1.483) 3.732 2.967 ( 1.747 -1.991 1.320) 2.960 3.056 ( -1.043 2.878 -2.032) 3.674 3.232 ( 0.059 -4.436 1.063) 4.562 3.277 ( 0.138 -2.224 -1.060) 2.467 3.307 ( -1.024 -0.247 1.104) 1.526 3.340 ( -0.221 1.567 0.338) 1.618 3.406 ( -2.663 -1.683 -0.276) 3.162 3.437 ( 0.947 -0.233 -0.024) 0.976 3.508 ( 1.239 -2.015 3.211) 3.989 3.549 ( -0.375 3.231 -0.598) 3.307 3.565 ( 0.827 1.683 -2.251) 2.930 3.591 ( 0.771 -0.317 -0.129) 0.843 3.661 ( -0.531 0.132 2.464) 2.524 3.677 ( 2.261 -0.390 2.311) 3.257 3.759 ( -2.660 -0.311 -0.830) 2.804 3.773 ( 0.588 0.843 -1.982) 2.233 3.859 ( 1.309 -0.888 -0.455) 1.646 3.940 ( -1.368 3.627 1.639) 4.209 3.969 ( 1.517 1.385 -0.315) 2.078 4.023 ( -0.435 -0.782 0.946) 1.302 4.091 ( -2.143 1.657 0.108) 2.711 4.142 ( -0.073 -0.581 -0.695) 0.909 4.197 ( -1.217 1.499 0.444) 1.981 4.292 ( 0.457 -0.511 -0.270) 0.737 4.365 ( 1.030 -0.750 -2.265) 2.599 4.399 ( 1.338 -1.370 -1.368) 2.353 5.229 ( -0.032 -0.562 0.822) 0.996 5.264 ( 0.051 0.382 -0.610) 0.722 5.673 ( -0.200 0.046 0.889) 0.912 5.717 ( 0.005 0.571 -0.925) 1.088 6.191 ( -2.247 0.000 0.437) 2.289 6.215 ( -1.570 -0.162 -0.554) 1.672 6.251 ( 2.667 0.056 -0.015) 2.668 6.270 ( 2.427 0.323 0.033) 2.449 6.373 ( -0.515 0.177 0.561) 0.782 6.382 ( -0.230 -0.042 0.516) 0.566 6.412 ( 0.075 -0.283 -0.249) 0.384 6.431 ( 0.055 0.084 -0.697) 0.704 6.710 ( -0.342 -0.987 1.369) 1.722 6.771 ( -1.288 -0.455 -1.258) 1.857 6.787 ( 0.894 -0.165 0.600) 1.089 6.819 ( 1.021 -0.118 -0.586) 1.183 6.881 ( -0.832 0.438 0.674) 1.157 6.919 ( -0.266 -0.344 -0.530) 0.686 7.106 ( 0.112 0.264 0.234) 0.371 7.126 ( 0.316 0.468 -0.429) 0.709 7.250 ( 0.108 -0.639 0.048) 0.650 7.258 ( 0.039 -0.550 -0.319) 0.637 7.433 ( -0.493 0.243 0.671) 0.867 7.465 ( 0.576 -0.194 0.215) 0.645 7.490 ( -0.214 -0.227 -0.459) 0.555 7.518 ( -0.162 -0.002 -0.240) 0.289 7.535 ( -0.004 0.903 0.869) 1.253 7.567 ( 0.186 1.007 -0.236) 1.051======================= Grid point 45 (25/42) =======================q-point: ( 0.00 0.40 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.409 ( 0.830 0.392 -2.729) 2.880 0.466 ( 0.745 -0.701 0.266) 1.057 0.559 ( 9.589 1.560 9.587) 13.649 0.756 ( 5.815 0.174 4.524) 7.370 0.825 ( -0.190 -1.681 4.040) 4.380 0.866 ( -0.161 2.059 -0.897) 2.252 0.931 ( -0.684 3.154 3.047) 4.439 0.974 ( -1.160 -1.585 -1.266) 2.337 1.037 ( 1.226 0.389 1.417) 1.914 1.110 ( -5.422 0.206 -1.993) 5.780 1.188 ( -4.727 0.649 -4.853) 6.806 1.202 ( 0.062 1.132 0.092) 1.137 1.216 ( -0.662 1.849 2.722) 3.357 1.261 ( -0.408 1.875 2.883) 3.463 1.282 ( -1.361 0.972 0.652) 1.795 1.357 ( 1.820 -0.160 -4.226) 4.604 1.364 ( -1.248 -3.267 -1.763) 3.917 1.380 ( -2.836 -2.256 -2.503) 4.404 1.414 ( 1.131 -1.895 -0.686) 2.311 1.470 ( 3.068 0.029 -1.580) 3.451 1.535 ( 0.140 2.899 -4.416) 5.284 1.565 ( -0.076 1.654 -3.035) 3.457 1.613 ( -1.129 0.705 -0.356) 1.378 1.660 ( 0.679 -1.384 0.431) 1.600 1.713 ( 0.125 -1.006 0.385) 1.084 1.754 ( -4.298 -0.826 -1.755) 4.716 1.785 ( -0.788 -1.080 0.310) 1.372 1.803 ( -3.303 -1.710 0.966) 3.843 1.918 ( 1.966 -0.814 3.862) 4.410 1.982 ( 0.748 -0.131 2.760) 2.862 2.009 ( 2.245 0.069 4.673) 5.185 2.087 ( 1.212 -2.703 3.023) 4.232 2.123 ( 3.293 -1.506 -5.148) 6.294 2.152 ( 3.309 -1.861 4.069) 5.565 2.237 ( -1.142 -0.197 -2.539) 2.791 2.301 ( 1.631 1.491 -3.500) 4.139 2.356 ( -1.942 0.275 -4.204) 4.639 2.377 ( 0.921 -0.132 -1.887) 2.104 2.453 ( -2.690 -1.057 3.203) 4.314 2.469 ( -2.606 -0.080 -1.995) 3.283 2.523 ( 0.312 -1.271 -0.511) 1.405 2.556 ( -0.652 -0.721 0.960) 1.366 2.650 ( -0.045 -0.075 1.085) 1.089 2.701 ( 2.304 2.611 -1.725) 3.886 2.734 ( 1.903 -2.258 5.797) 6.506 2.760 ( -5.101 0.494 -0.784) 5.184 2.794 ( 5.259 -1.206 -3.120) 6.233 2.915 ( 2.801 0.851 -0.972) 3.085 2.935 ( -0.772 -2.023 1.128) 2.441 3.012 ( -3.241 -0.352 2.611) 4.177 3.147 ( -1.381 -3.609 3.563) 5.256 3.275 ( 2.087 1.061 -1.827) 2.970 3.308 ( 1.342 -0.215 0.114) 1.364 3.317 ( -1.141 -0.131 2.193) 2.475 3.358 ( -0.050 2.162 0.352) 2.191 3.472 ( -0.537 -0.523 0.256) 0.792 3.523 ( 0.477 0.369 0.814) 1.013 3.550 ( -3.120 -0.160 -2.463) 3.978 3.597 ( -1.231 2.055 -1.723) 2.951 3.624 ( 0.130 0.099 -1.973) 1.979 3.650 ( -0.400 -1.792 0.982) 2.082 3.684 ( 1.618 -0.521 0.213) 1.713 3.768 ( 1.495 2.527 -1.031) 3.112 3.799 ( 0.797 -0.755 1.301) 1.702 3.868 ( 0.030 0.720 -0.484) 0.868 3.953 ( -0.918 -0.891 -0.443) 1.354 3.993 ( -0.194 1.450 2.946) 3.289 4.013 ( -0.042 1.821 2.150) 2.817 4.091 ( 0.040 -1.074 -0.057) 1.076 4.136 ( 0.031 0.469 0.255) 0.534 4.193 ( 0.797 0.009 -0.398) 0.891 4.274 ( -0.804 -0.551 -3.243) 3.387 4.357 ( -0.492 -0.613 -0.045) 0.787 4.409 ( 0.795 -0.436 -1.322) 1.603 5.219 ( -0.100 -0.400 1.261) 1.327 5.271 ( 0.064 0.294 -0.885) 0.935 5.673 ( -0.017 0.121 0.978) 0.985 5.722 ( 0.035 0.159 -1.073) 1.086 6.159 ( -0.195 -0.172 0.678) 0.726 6.195 ( 0.163 -0.074 -0.797) 0.816 6.301 ( -0.947 0.340 -0.087) 1.009 6.306 ( 0.892 0.319 -0.145) 0.959 6.367 ( 0.557 -0.063 0.732) 0.922 6.373 ( -0.512 -0.122 0.677) 0.858 6.410 ( 0.101 -0.182 -0.176) 0.272 6.429 ( -0.076 -0.011 -0.798) 0.801 6.687 ( -0.242 -0.646 1.247) 1.425 6.747 ( 0.234 -0.132 -1.347) 1.374 6.802 ( -0.002 -0.219 0.734) 0.766 6.835 ( 0.187 0.124 -0.561) 0.604 6.874 ( -0.035 0.173 0.530) 0.558 6.904 ( -0.085 -0.185 -0.511) 0.550 7.114 ( -0.015 0.258 0.463) 0.530 7.137 ( -0.049 0.271 -0.482) 0.555 7.240 ( -0.077 -0.474 0.105) 0.492 7.249 ( 0.032 -0.287 -0.323) 0.434 7.438 ( -0.097 0.254 0.773) 0.819 7.463 ( -0.254 -0.104 -0.100) 0.292 7.479 ( 0.681 -0.652 -0.372) 1.013 7.514 ( -0.374 0.201 -0.891) 0.987 7.558 ( 0.096 0.671 1.134) 1.321 7.586 ( -0.013 0.581 -0.134) 0.597======================= Grid point 46 (26/42) =======================q-point: ( 0.33 0.40 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.395 ( -1.335 0.553 -2.939) 3.274 0.443 ( -1.169 -1.589 -2.667) 3.318 0.697 ( -7.539 3.419 -2.685) 8.703 0.793 ( -5.381 -1.185 -7.311) 9.155 0.835 ( -0.363 -0.257 4.935) 4.955 0.854 ( -1.077 0.237 1.898) 2.195 0.911 ( 7.371 2.956 5.569) 9.700 0.986 ( -0.930 -0.210 -0.589) 1.120 1.015 ( 0.320 -0.231 1.905) 1.946 1.083 ( 5.442 0.251 2.907) 6.174 1.101 ( -2.116 0.835 -2.024) 3.045 1.193 ( -0.513 1.592 1.261) 2.095 1.202 ( -1.153 1.506 1.397) 2.356 1.249 ( 0.499 -1.487 2.814) 3.221 1.291 ( 0.182 -0.268 1.276) 1.317 1.312 ( -0.857 0.780 0.521) 1.270 1.343 ( 0.646 -0.158 -3.824) 3.882 1.388 ( 1.229 0.437 -3.482) 3.719 1.420 ( -1.195 -1.770 1.115) 2.409 1.530 ( 0.510 -2.218 1.082) 2.520 1.546 ( 2.840 0.995 0.845) 3.126 1.591 ( -0.717 0.283 -3.400) 3.486 1.622 ( -0.251 -0.503 -1.825) 1.910 1.640 ( 2.714 0.681 0.996) 2.970 1.692 ( -1.754 -1.491 -2.185) 3.174 1.733 ( 1.244 -0.585 0.545) 1.479 1.763 ( -0.286 0.008 2.528) 2.545 1.817 ( 3.614 -3.931 0.951) 5.424 1.960 ( 0.407 1.569 4.125) 4.432 1.980 ( -1.262 0.845 0.051) 1.520 2.038 ( -0.704 0.484 4.561) 4.641 2.108 ( -0.940 -2.352 0.159) 2.537 2.155 ( -0.564 -0.480 -2.874) 2.968 2.198 ( 0.377 0.612 -2.566) 2.665 2.224 ( -2.135 -2.702 -1.400) 3.718 2.252 ( -2.113 -1.667 -1.845) 3.263 2.295 ( -1.993 1.405 -8.074) 8.434 2.365 ( 0.963 -2.260 -2.447) 3.468 2.418 ( -1.167 0.001 -1.273) 1.727 2.479 ( 2.914 -1.433 0.130) 3.250 2.532 ( 0.887 -0.260 5.361) 5.440 2.553 ( 1.279 -0.281 0.201) 1.325 2.680 ( -1.639 -0.411 0.365) 1.729 2.683 ( 1.629 0.947 1.824) 2.622 2.730 ( 0.016 -1.013 1.682) 1.964 2.797 ( -2.168 1.487 -0.503) 2.676 2.825 ( -2.199 -0.131 -1.345) 2.581 2.868 ( -0.053 -1.509 -0.755) 1.688 2.919 ( -0.058 0.388 2.492) 2.523 3.075 ( 4.546 1.891 -1.568) 5.167 3.126 ( -0.257 -4.760 1.742) 5.075 3.301 ( -2.055 0.705 -1.001) 2.392 3.322 ( 1.719 -0.206 1.502) 2.292 3.360 ( 2.098 -0.581 1.249) 2.510 3.381 ( 1.809 1.014 3.242) 3.848 3.427 ( -1.171 -0.322 -2.794) 3.047 3.464 ( -2.157 -1.295 3.054) 3.957 3.548 ( -2.084 1.276 0.386) 2.474 3.568 ( 1.722 1.196 -2.690) 3.411 3.614 ( -0.431 1.500 -2.094) 2.611 3.639 ( -0.106 -0.639 1.230) 1.390 3.698 ( -0.488 -0.237 -0.010) 0.543 3.782 ( -0.481 -0.493 -4.131) 4.188 3.813 ( 0.064 -0.168 0.714) 0.736 3.850 ( -0.993 1.295 2.317) 2.834 3.956 ( 0.947 0.859 1.031) 1.643 3.993 ( 0.206 1.398 0.037) 1.413 4.014 ( -0.613 -0.107 3.235) 3.294 4.095 ( 0.244 -1.966 -0.058) 1.982 4.158 ( 1.040 1.581 -0.114) 1.895 4.234 ( 1.401 0.777 -0.498) 1.677 4.264 ( 1.453 -1.308 -3.404) 3.926 4.330 ( -1.298 -0.545 0.132) 1.414 4.394 ( -1.591 -0.348 -1.149) 1.993 5.219 ( -0.105 -0.381 1.282) 1.341 5.271 ( 0.069 0.307 -0.885) 0.939 5.676 ( 0.025 0.146 0.981) 0.992 5.724 ( 0.231 0.194 -1.103) 1.144 6.184 ( 2.150 -0.202 0.408) 2.197 6.217 ( 1.792 -0.011 -0.445) 1.847 6.258 ( -2.238 0.272 -0.241) 2.267 6.268 ( -3.140 0.026 0.306) 3.155 6.377 ( 0.594 0.204 0.224) 0.667 6.385 ( 0.083 -0.103 0.995) 1.004 6.409 ( -0.145 -0.170 -0.221) 0.314 6.430 ( 0.249 0.015 -0.938) 0.970 6.691 ( 0.286 -0.609 1.391) 1.545 6.766 ( 1.171 -0.210 -1.481) 1.899 6.786 ( -0.801 0.044 0.609) 1.007 6.821 ( -1.064 -0.097 -0.754) 1.307 6.889 ( 0.659 0.134 0.612) 0.910 6.911 ( 0.482 -0.170 -0.357) 0.624 7.111 ( -0.166 0.279 0.511) 0.605 7.131 ( -0.218 0.264 -0.447) 0.563 7.238 ( -0.061 -0.467 0.152) 0.495 7.249 ( 0.010 -0.293 -0.295) 0.416 7.437 ( 0.024 -0.195 0.288) 0.349 7.466 ( 0.128 0.464 0.913) 1.032 7.495 ( 0.740 -0.677 -0.393) 1.077 7.499 ( -0.601 0.075 -1.260) 1.398 7.559 ( -0.173 0.726 1.072) 1.307 7.583 ( -0.073 0.601 -0.278) 0.666======================= Grid point 47 (27/42) =======================q-point: (-0.33 0.40 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.354 ( -0.035 0.676 -2.100) 2.207 0.433 ( 0.548 -1.105 -2.070) 2.410 0.507 ( -3.818 1.195 -2.977) 4.987 0.680 ( -0.458 -1.462 -6.062) 6.253 0.824 ( -0.497 -1.650 5.227) 5.504 0.858 ( 0.489 2.017 1.961) 2.855 0.938 ( -1.358 2.158 -1.366) 2.893 1.006 ( -0.502 2.013 3.512) 4.079 1.034 ( -1.253 1.129 2.078) 2.676 1.155 ( 2.665 1.562 0.595) 3.146 1.172 ( 1.935 2.164 3.043) 4.206 1.209 ( 0.991 0.035 0.407) 1.072 1.227 ( 2.830 0.881 -0.113) 2.966 1.244 ( 0.776 0.516 2.534) 2.700 1.296 ( 0.694 -1.344 1.757) 2.318 1.318 ( 1.058 -2.368 -1.440) 2.967 1.350 ( -2.644 1.086 -0.073) 2.859 1.389 ( 1.889 -1.013 -3.158) 3.817 1.435 ( 1.344 -0.736 -1.743) 2.321 1.493 ( -3.219 -0.213 2.070) 3.833 1.559 ( -2.911 -0.460 -5.046) 5.843 1.608 ( 1.149 -1.496 -1.341) 2.314 1.617 ( -0.380 0.236 -2.239) 2.283 1.647 ( 0.073 0.105 0.408) 0.428 1.702 ( 1.335 -0.105 1.866) 2.297 1.745 ( 1.472 -2.111 -0.313) 2.593 1.839 ( 3.297 1.991 4.457) 5.890 1.903 ( 1.877 -2.734 4.895) 5.912 1.912 ( -5.113 1.268 1.128) 5.387 1.947 ( -2.801 -1.189 -3.305) 4.492 1.972 ( -2.287 0.613 4.547) 5.126 2.064 ( 0.016 -1.314 -6.479) 6.611 2.100 ( -0.791 -3.249 0.322) 3.360 2.131 ( -2.595 -2.533 2.592) 4.457 2.236 ( 1.113 -0.044 -0.905) 1.435 2.271 ( 1.601 -1.044 -5.470) 5.794 2.300 ( 4.062 2.092 -5.159) 6.891 2.371 ( 0.200 -0.279 -1.324) 1.368 2.454 ( 3.069 -1.843 -0.828) 3.674 2.522 ( -0.816 1.440 1.108) 1.992 2.531 ( -0.038 -2.170 -1.683) 2.746 2.634 ( -4.505 1.227 2.600) 5.344 2.660 ( 3.964 -0.994 -1.279) 4.282 2.668 ( -0.815 -0.230 3.693) 3.789 2.685 ( -2.448 0.590 1.384) 2.873 2.726 ( -0.657 -0.334 1.376) 1.561 2.812 ( 3.378 -0.740 -1.410) 3.735 2.872 ( -2.374 -0.052 -1.768) 2.961 2.939 ( 0.452 -0.519 2.501) 2.594 3.087 ( -1.818 -1.192 1.225) 2.495 3.164 ( 0.340 -0.961 1.521) 1.831 3.248 ( -0.417 -0.183 -1.884) 1.938 3.318 ( -1.701 -0.630 -0.258) 1.832 3.361 ( -1.726 0.900 0.881) 2.136 3.385 ( -2.556 0.715 0.795) 2.771 3.440 ( 2.107 0.039 1.332) 2.493 3.479 ( 2.583 -0.452 1.825) 3.194 3.570 ( 3.599 -1.233 1.450) 4.071 3.599 ( 0.454 1.331 -1.974) 2.424 3.613 ( 0.263 2.438 -1.940) 3.127 3.648 ( 0.686 -1.018 1.569) 1.993 3.674 ( -1.035 -0.743 -3.211) 3.455 3.754 ( -0.693 1.064 -1.063) 1.657 3.800 ( -1.047 1.117 0.643) 1.660 3.851 ( 0.885 0.117 0.274) 0.933 3.978 ( -0.018 -1.122 1.323) 1.734 3.989 ( -0.597 0.582 2.281) 2.429 4.011 ( 0.207 1.052 1.059) 1.507 4.095 ( -0.277 -1.563 -0.067) 1.589 4.153 ( -1.052 1.776 -0.226) 2.077 4.212 ( -1.872 0.026 -1.361) 2.314 4.297 ( -0.289 0.965 -1.393) 1.719 4.349 ( 1.826 -0.800 -1.619) 2.568 4.370 ( 1.150 -1.358 -0.343) 1.812 5.219 ( -0.080 -0.403 1.279) 1.343 5.271 ( 0.065 0.305 -0.884) 0.937 5.675 ( -0.224 0.124 0.943) 0.977 5.725 ( -0.024 0.213 -1.066) 1.088 6.191 ( -2.502 -0.006 0.656) 2.586 6.212 ( -1.446 -0.145 -0.692) 1.609 6.251 ( 3.038 -0.023 -0.072) 3.039 6.276 ( 2.496 0.277 0.126) 2.515 6.373 ( -0.965 -0.106 0.524) 1.103 6.385 ( -0.084 0.207 0.561) 0.604 6.407 ( 0.091 -0.191 -0.167) 0.270 6.433 ( 0.023 0.048 -0.846) 0.848 6.694 ( -0.358 -0.607 1.533) 1.687 6.763 ( -1.043 -0.272 -1.659) 1.978 6.785 ( 0.637 -0.072 0.618) 0.891 6.819 ( 1.034 0.034 -0.726) 1.264 6.888 ( -0.750 0.251 0.536) 0.955 6.913 ( -0.320 -0.213 -0.273) 0.471 7.111 ( 0.076 0.225 0.424) 0.486 7.133 ( 0.363 0.183 -0.373) 0.552 7.239 ( 0.104 -0.430 0.188) 0.481 7.249 ( 0.029 -0.306 -0.328) 0.449 7.440 ( -0.046 0.362 0.724) 0.811 7.463 ( -0.025 0.045 0.217) 0.223 7.483 ( -0.694 -0.503 -0.981) 1.303 7.512 ( 0.624 -0.287 -0.321) 0.758 7.556 ( -0.156 0.844 0.892) 1.238 7.584 ( 0.131 0.603 -0.189) 0.646======================= Grid point 48 (28/42) =======================q-point: ( 0.00 -0.50 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 36Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.411 ( 1.362 0.000 -2.313) 2.684 0.468 ( -0.516 0.000 -0.074) 0.521 0.574 ( 10.555 0.000 7.728) 13.082 0.744 ( 5.461 0.000 4.289) 6.944 0.807 ( 1.327 0.000 6.850) 6.977 0.916 ( 0.557 -0.000 -1.366) 1.475 0.935 ( -1.752 0.001 -1.551) 2.340 0.981 ( -1.123 0.000 1.331) 1.742 1.016 ( -0.671 0.000 5.159) 5.203 1.127 ( -5.219 0.000 -2.362) 5.729 1.184 ( -4.806 0.000 -5.385) 7.218 1.229 ( 0.198 0.000 0.972) 0.992 1.261 ( -0.571 0.000 -0.639) 0.857 1.271 ( -0.122 -0.000 1.603) 1.608 1.296 ( -2.265 0.000 1.668) 2.812 1.313 ( -1.663 0.000 -3.252) 3.652 1.345 ( -1.375 0.000 4.590) 4.791 1.349 ( 1.131 0.000 -6.855) 6.947 1.387 ( 2.483 0.000 -0.241) 2.494 1.476 ( 2.024 0.000 -1.395) 2.458 1.568 ( -2.574 0.000 -4.212) 4.936 1.594 ( 2.809 0.000 -1.210) 3.059 1.624 ( -0.840 0.000 -2.419) 2.561 1.647 ( 0.999 0.000 -1.364) 1.691 1.688 ( -1.556 0.000 -1.862) 2.427 1.745 ( -3.761 0.000 -1.712) 4.132 1.777 ( -5.198 0.000 2.381) 5.717 1.790 ( 1.244 0.000 -0.838) 1.500 1.908 ( 2.012 0.000 2.823) 3.467 1.984 ( 0.745 0.000 7.749) 7.785 2.007 ( 3.279 0.000 7.096) 7.817 2.057 ( 0.615 0.000 1.266) 1.408 2.105 ( 4.836 0.000 -7.067) 8.563 2.134 ( 3.658 0.000 2.522) 4.443 2.234 ( -2.601 0.000 -2.439) 3.566 2.343 ( 1.442 0.001 -1.081) 1.802 2.345 ( -0.559 -0.001 -4.724) 4.757 2.355 ( -1.612 0.000 -5.730) 5.952 2.452 ( -0.197 0.000 1.047) 1.066 2.488 ( 0.067 0.000 -1.673) 1.674 2.497 ( -4.573 0.000 0.574) 4.609 2.538 ( -0.296 0.000 1.756) 1.781 2.650 ( 0.083 0.000 1.927) 1.929 2.698 ( 0.481 0.000 5.682) 5.703 2.730 ( 2.668 0.000 -2.349) 3.555 2.773 ( -4.289 0.000 -0.701) 4.346 2.791 ( 5.888 0.000 -3.331) 6.765 2.913 ( 2.850 -0.000 -4.488) 5.316 2.916 ( -0.426 0.000 3.564) 3.589 3.006 ( -2.718 0.000 5.227) 5.892 3.107 ( -2.268 0.000 6.211) 6.612 3.288 ( 0.402 0.000 2.072) 2.110 3.305 ( 2.304 0.000 -2.461) 3.371 3.328 ( -2.880 0.000 -0.186) 2.886 3.393 ( 2.693 0.000 -1.216) 2.955 3.467 ( 0.593 -0.000 2.699) 2.763 3.522 ( 0.859 0.000 -3.081) 3.199 3.541 ( -6.133 0.000 -3.055) 6.852 3.619 ( 1.455 0.000 -1.080) 1.812 3.621 ( -0.323 0.000 -1.886) 1.914 3.623 ( -0.660 0.000 1.999) 2.105 3.678 ( 1.622 0.000 1.705) 2.353 3.789 ( 0.099 0.000 -3.483) 3.484 3.801 ( -0.230 0.000 1.604) 1.620 3.879 ( 0.649 0.000 -0.166) 0.670 3.940 ( 0.376 0.000 1.591) 1.635 4.010 ( 0.073 0.000 2.621) 2.622 4.041 ( -0.022 0.000 3.020) 3.020 4.070 ( -0.207 0.000 -1.202) 1.219 4.142 ( -0.044 0.000 0.912) 0.913 4.192 ( 0.766 0.000 -1.029) 1.283 4.268 ( -1.630 0.000 -4.515) 4.801 4.350 ( -0.339 0.000 0.909) 0.970 4.406 ( 1.121 0.000 -1.360) 1.762 5.215 ( -0.105 0.000 1.496) 1.499 5.274 ( 0.070 0.000 -0.974) 0.977 5.674 ( -0.003 0.000 0.952) 0.952 5.723 ( 0.025 0.000 -1.097) 1.097 6.157 ( -0.245 0.000 0.719) 0.760 6.194 ( 0.196 0.000 -0.796) 0.820 6.305 ( -1.119 0.000 -0.164) 1.131 6.309 ( 1.090 0.000 -0.245) 1.117 6.366 ( 0.942 0.000 1.105) 1.452 6.372 ( -0.932 0.000 0.538) 1.076 6.408 ( 0.121 0.000 -0.186) 0.222 6.429 ( -0.086 0.000 -0.876) 0.881 6.680 ( -0.253 0.000 1.332) 1.356 6.746 ( 0.274 0.000 -1.519) 1.543 6.800 ( 0.078 0.000 0.807) 0.811 6.836 ( 0.121 0.000 -0.680) 0.690 6.876 ( -0.126 0.000 0.501) 0.516 6.902 ( -0.053 0.000 -0.458) 0.461 7.116 ( 0.013 0.000 0.565) 0.566 7.140 ( -0.002 0.000 -0.391) 0.391 7.235 ( -0.103 0.000 0.139) 0.173 7.246 ( 0.040 0.000 -0.362) 0.365 7.441 ( -0.601 0.000 0.325) 0.683 7.466 ( 0.259 0.000 -0.973) 1.007 7.468 ( 0.536 0.000 0.897) 1.045 7.516 ( -0.217 0.000 -0.839) 0.867 7.565 ( 0.043 0.000 0.992) 0.993 7.592 ( -0.010 0.000 -0.163) 0.163======================= Grid point 50 (29/42) =======================q-point: ( 0.33 -0.50 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 36Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.386 ( -1.980 0.000 -1.698) 2.608 0.432 ( -1.539 0.000 -3.194) 3.545 0.752 ( -6.523 -0.000 -7.055) 9.608 0.760 ( -6.705 0.000 -3.138) 7.403 0.810 ( -1.233 0.000 6.991) 7.099 0.879 ( -1.110 0.000 -0.249) 1.138 0.959 ( 7.397 0.000 3.486) 8.177 0.971 ( 2.710 0.000 4.032) 4.858 1.018 ( -0.785 0.000 1.106) 1.357 1.073 ( 4.601 0.000 4.204) 6.232 1.112 ( -1.377 0.000 -3.947) 4.181 1.220 ( -0.848 0.000 -0.531) 1.001 1.222 ( -0.231 0.000 2.034) 2.047 1.232 ( -1.047 0.000 0.978) 1.433 1.273 ( 0.243 -0.000 1.698) 1.715 1.323 ( -1.074 0.000 2.337) 2.572 1.340 ( 0.460 0.000 -1.729) 1.789 1.397 ( 4.057 0.000 -3.672) 5.472 1.403 ( -0.800 0.000 1.542) 1.737 1.510 ( -0.974 0.000 1.520) 1.805 1.556 ( 1.527 0.000 -1.150) 1.912 1.592 ( -3.606 0.000 -1.982) 4.115 1.627 ( 1.936 0.000 -0.582) 2.022 1.635 ( 1.693 -0.000 -2.627) 3.125 1.679 ( -0.500 0.000 -4.857) 4.882 1.727 ( 1.257 0.000 0.493) 1.351 1.766 ( -1.238 0.000 4.053) 4.238 1.779 ( 4.503 0.000 1.222) 4.666 1.982 ( 2.109 -0.000 0.649) 2.206 1.983 ( -1.258 0.000 5.819) 5.953 2.045 ( -1.479 0.000 5.523) 5.718 2.091 ( 0.796 -0.000 1.063) 1.328 2.135 ( -4.823 0.000 -2.803) 5.578 2.190 ( -1.384 0.000 -3.312) 3.589 2.217 ( 2.141 0.000 -0.237) 2.154 2.225 ( -0.923 -0.000 -6.421) 6.487 2.316 ( -4.481 0.000 -4.118) 6.085 2.334 ( 0.669 0.000 -5.686) 5.725 2.418 ( -2.340 0.000 -2.894) 3.722 2.454 ( 3.423 0.000 0.295) 3.436 2.538 ( 3.605 0.000 3.258) 4.859 2.562 ( 0.445 0.000 3.300) 3.330 2.674 ( -2.275 0.000 0.474) 2.324 2.687 ( 2.470 0.000 -0.391) 2.501 2.715 ( 0.517 0.000 3.434) 3.473 2.810 ( -4.529 0.000 -0.069) 4.530 2.831 ( -5.131 0.000 -1.786) 5.433 2.845 ( 4.363 -0.000 -3.624) 5.672 2.937 ( 1.138 0.000 4.692) 4.828 3.068 ( -0.495 0.000 3.262) 3.299 3.101 ( 4.926 0.000 -0.814) 4.993 3.300 ( 0.187 0.000 5.974) 5.977 3.320 ( -3.302 0.000 -3.296) 4.666 3.345 ( 3.876 0.000 0.238) 3.883 3.412 ( 0.143 0.000 1.697) 1.703 3.424 ( -1.136 0.000 -2.680) 2.911 3.454 ( -2.152 0.000 2.992) 3.686 3.570 ( 3.321 0.000 -3.100) 4.543 3.578 ( -2.586 0.000 0.035) 2.586 3.617 ( 0.191 0.000 -0.517) 0.551 3.647 ( 0.542 0.000 0.160) 0.565 3.681 ( -0.702 0.000 -0.332) 0.777 3.778 ( -0.355 0.000 -4.440) 4.454 3.808 ( 0.364 0.000 0.937) 1.005 3.869 ( -1.237 0.000 0.971) 1.573 3.966 ( 0.765 0.000 2.409) 2.528 4.008 ( -1.668 0.000 1.167) 2.036 4.018 ( -0.237 0.000 3.731) 3.738 4.065 ( 0.083 0.000 -0.824) 0.828 4.184 ( 1.945 0.000 1.027) 2.199 4.235 ( -0.749 0.000 -4.920) 4.977 4.245 ( 3.832 0.000 -1.673) 4.181 4.328 ( -1.095 0.000 0.809) 1.362 4.391 ( -1.979 0.000 -0.960) 2.199 5.215 ( -0.121 0.000 1.504) 1.509 5.274 ( 0.085 0.000 -0.982) 0.986 5.677 ( 0.031 0.000 0.955) 0.956 5.726 ( 0.266 0.000 -1.143) 1.174 6.182 ( 2.176 0.000 0.405) 2.214 6.217 ( 1.775 0.000 -0.415) 1.823 6.261 ( -2.004 0.000 -0.548) 2.078 6.268 ( -3.498 0.000 0.623) 3.553 6.379 ( 0.719 0.000 0.123) 0.729 6.383 ( 0.046 0.000 1.114) 1.115 6.407 ( -0.161 0.000 -0.174) 0.237 6.430 ( 0.301 0.000 -1.020) 1.063 6.684 ( 0.298 0.000 1.456) 1.486 6.764 ( 1.111 0.000 -1.612) 1.958 6.787 ( -0.781 0.000 0.658) 1.021 6.820 ( -1.028 0.000 -0.829) 1.321 6.890 ( 0.695 0.000 0.526) 0.871 6.909 ( 0.446 0.000 -0.241) 0.507 7.115 ( -0.194 0.000 0.538) 0.572 7.134 ( -0.266 0.000 -0.397) 0.478 7.233 ( -0.035 0.000 0.196) 0.199 7.246 ( 0.000 0.000 -0.315) 0.315 7.435 ( 0.098 0.000 0.318) 0.333 7.477 ( -0.064 -0.000 1.027) 1.029 7.480 ( 0.821 0.000 -0.314) 0.879 7.501 ( -0.589 0.000 -1.551) 1.659 7.567 ( -0.087 0.000 1.033) 1.037 7.590 ( -0.064 0.000 -0.298) 0.305======================= Grid point 52 (30/42) =======================q-point: (-0.33 -0.50 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 36Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.366 ( 1.058 0.000 -3.095) 3.271 0.418 ( 1.143 0.000 -1.260) 1.702 0.532 ( -5.866 0.000 -4.790) 7.573 0.640 ( 0.892 0.000 -4.492) 4.580 0.802 ( -0.970 0.000 7.706) 7.766 0.885 ( 1.016 0.000 1.121) 1.513 0.959 ( -0.813 0.000 -1.657) 1.845 1.029 ( -3.068 0.000 0.062) 3.068 1.047 ( -0.877 0.000 5.427) 5.497 1.176 ( 1.257 0.000 5.562) 5.702 1.195 ( 7.036 -0.000 -1.474) 7.189 1.209 ( 0.807 0.000 0.155) 0.822 1.237 ( 1.643 0.000 0.658) 1.770 1.246 ( 0.685 0.000 0.644) 0.940 1.291 ( -1.962 0.000 1.394) 2.407 1.311 ( 3.012 0.000 0.960) 3.161 1.346 ( 0.656 0.000 -2.510) 2.594 1.373 ( -1.527 0.000 0.961) 1.805 1.415 ( -3.025 0.000 -2.402) 3.863 1.495 ( -0.634 0.000 1.439) 1.573 1.559 ( 0.618 0.000 -4.651) 4.692 1.612 ( -0.951 0.000 -2.649) 2.814 1.616 ( 2.089 -0.000 -1.223) 2.421 1.646 ( -0.554 0.000 -1.927) 2.005 1.697 ( 1.758 0.000 -0.381) 1.799 1.719 ( 0.481 0.000 -1.250) 1.340 1.841 ( 4.693 0.000 5.902) 7.541 1.899 ( 2.899 0.000 6.126) 6.778 1.926 ( -9.234 0.000 -3.009) 9.712 1.931 ( -4.271 0.000 5.230) 6.752 1.977 ( -1.898 0.000 2.973) 3.527 2.045 ( -0.593 0.000 -8.146) 8.167 2.064 ( 1.282 0.000 1.869) 2.266 2.102 ( -3.370 0.000 1.378) 3.641 2.251 ( 1.091 0.000 -3.030) 3.220 2.258 ( 3.679 0.000 -3.273) 4.924 2.323 ( 3.323 0.000 -4.493) 5.588 2.352 ( 1.097 0.000 -4.889) 5.011 2.430 ( 2.786 0.000 -1.171) 3.022 2.503 ( -0.077 0.000 -1.531) 1.533 2.563 ( -0.848 0.000 2.867) 2.990 2.626 ( -3.859 0.000 -0.180) 3.863 2.653 ( 1.730 0.000 1.595) 2.353 2.658 ( 0.543 0.000 3.097) 3.144 2.702 ( -3.815 0.000 0.739) 3.886 2.722 ( -0.410 0.000 1.546) 1.599 2.806 ( 4.654 0.000 -2.356) 5.217 2.870 ( -1.905 0.000 -2.522) 3.161 2.943 ( -1.770 0.000 3.891) 4.275 3.053 ( -1.075 0.000 5.011) 5.125 3.167 ( -0.900 0.000 -0.522) 1.040 3.264 ( 1.131 0.000 -5.239) 5.360 3.286 ( -1.393 -0.000 3.632) 3.890 3.370 ( -1.621 0.000 0.715) 1.772 3.405 ( -1.823 0.000 2.098) 2.780 3.440 ( 1.185 0.000 1.493) 1.906 3.487 ( 3.373 0.000 0.008) 3.373 3.549 ( 2.098 0.000 1.610) 2.645 3.612 ( 0.221 0.000 -1.781) 1.795 3.631 ( 1.290 0.000 0.250) 1.314 3.647 ( -0.612 0.000 -0.806) 1.013 3.657 ( -1.784 0.000 -4.424) 4.770 3.777 ( 1.083 0.000 -2.412) 2.644 3.810 ( -0.400 0.000 1.048) 1.122 3.856 ( 0.485 0.000 0.636) 0.800 3.951 ( -1.421 0.000 2.490) 2.867 3.998 ( 0.180 0.000 3.908) 3.912 4.027 ( 0.428 0.000 0.333) 0.542 4.070 ( 0.320 0.000 -0.695) 0.765 4.179 ( -2.140 0.001 0.967) 2.349 4.207 ( -1.159 -0.000 -3.010) 3.225 4.317 ( -0.596 -0.000 -4.446) 4.486 4.335 ( 1.170 0.000 1.135) 1.630 4.353 ( 2.019 0.000 0.179) 2.026 5.215 ( -0.109 0.000 1.500) 1.504 5.274 ( 0.063 0.000 -0.979) 0.981 5.676 ( -0.239 0.000 0.911) 0.942 5.727 ( -0.042 0.000 -1.099) 1.099 6.190 ( -2.609 0.000 0.733) 2.710 6.210 ( -1.399 0.000 -0.743) 1.584 6.251 ( 3.150 0.000 -0.103) 3.152 6.279 ( 2.575 0.000 0.165) 2.580 6.372 ( -1.038 0.000 0.595) 1.196 6.387 ( -0.105 0.000 0.517) 0.528 6.405 ( 0.080 0.000 -0.145) 0.166 6.433 ( 0.002 0.000 -0.910) 0.910 6.688 ( -0.375 0.000 1.608) 1.651 6.760 ( -0.997 0.000 -1.781) 2.041 6.784 ( 0.561 0.000 0.597) 0.819 6.819 ( 1.059 0.000 -0.762) 1.304 6.891 ( -0.692 0.000 0.500) 0.854 6.911 ( -0.333 0.000 -0.193) 0.385 7.114 ( 0.064 0.000 0.462) 0.466 7.134 ( 0.352 0.000 -0.339) 0.488 7.234 ( 0.095 0.000 0.236) 0.255 7.246 ( 0.036 0.000 -0.350) 0.351 7.444 ( 0.435 0.000 0.905) 1.004 7.467 ( -0.689 -0.000 0.346) 0.771 7.474 ( -0.681 0.000 -1.254) 1.427 7.509 ( 0.804 0.000 -0.391) 0.894 7.565 ( -0.165 0.000 0.796) 0.812 7.590 ( 0.122 0.000 -0.188) 0.224======================= Grid point 66 (31/42) =======================q-point: ( 0.00 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 24Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.396 ( 4.337 0.000 -9.824) 10.738 0.396 ( -4.337 0.000 9.824) 10.738 0.518 ( 10.821 0.000 -10.122) 14.817 0.518 ( -10.821 0.000 10.122) 14.817 0.853 ( 2.949 0.000 -7.371) 7.939 0.853 ( -2.949 0.000 7.371) 7.939 0.950 ( 1.836 0.000 -2.820) 3.365 0.950 ( -1.836 0.000 2.820) 3.365 1.004 ( 4.214 0.000 -5.383) 6.836 1.004 ( -4.214 0.000 5.383) 6.836 1.067 ( 4.139 0.000 -5.439) 6.835 1.067 ( -4.139 0.000 5.439) 6.835 1.129 ( 5.149 0.000 -3.049) 5.984 1.129 ( -5.149 0.000 3.049) 5.984 1.351 ( 1.334 0.000 -3.323) 3.581 1.351 ( -1.334 0.000 3.323) 3.581 1.389 ( -5.597 0.000 -0.925) 5.673 1.389 ( 5.597 0.000 0.925) 5.673 1.484 ( 0.874 0.000 -7.855) 7.903 1.484 ( -0.874 0.000 7.855) 7.903 1.593 ( 2.748 0.000 -3.632) 4.554 1.593 ( -2.748 0.000 3.632) 4.554 1.735 ( -0.151 0.000 -0.121) 0.194 1.735 ( 0.151 0.000 0.121) 0.194 1.754 ( 1.914 0.000 -2.783) 3.378 1.754 ( -1.914 0.000 2.783) 3.378 1.930 ( -4.067 0.000 1.133) 4.222 1.930 ( 4.067 0.000 -1.133) 4.222 1.959 ( 1.858 0.000 -2.563) 3.166 1.959 ( -1.858 0.000 2.563) 3.166 2.029 ( 0.906 0.000 -0.354) 0.973 2.029 ( -0.906 0.000 0.354) 0.973 2.182 ( 0.933 0.000 -1.847) 2.069 2.182 ( -0.933 0.000 1.847) 2.069 2.394 ( 0.109 0.000 -3.453) 3.454 2.394 ( -0.109 0.000 3.453) 3.454 2.408 ( -3.009 0.000 0.922) 3.147 2.408 ( 3.009 0.000 -0.922) 3.147 2.452 ( -0.747 0.000 -1.719) 1.874 2.452 ( 0.747 0.000 1.719) 1.874 2.555 ( -0.221 0.000 -2.300) 2.310 2.555 ( 0.221 0.000 2.300) 2.310 2.651 ( 1.623 0.000 -1.786) 2.413 2.651 ( -1.623 0.000 1.786) 2.413 2.828 ( -4.542 0.000 -4.316) 6.265 2.828 ( 4.542 0.000 4.316) 6.265 2.866 ( -1.919 0.000 -2.845) 3.432 2.866 ( 1.919 0.000 2.845) 3.432 3.091 ( 0.995 0.000 -0.435) 1.086 3.091 ( -0.995 0.000 0.435) 1.086 3.306 ( -1.037 0.000 -1.235) 1.613 3.306 ( 1.037 0.000 1.235) 1.613 3.355 ( -0.730 0.000 -2.109) 2.231 3.355 ( 0.730 0.000 2.109) 2.231 3.440 ( 1.729 0.000 -2.511) 3.049 3.440 ( -1.729 0.000 2.511) 3.049 3.562 ( 1.179 0.000 -0.530) 1.293 3.562 ( -1.179 0.000 0.530) 1.293 3.651 ( -0.582 0.000 -1.300) 1.424 3.651 ( 0.582 0.000 1.300) 1.424 3.679 ( -0.740 0.000 -1.763) 1.912 3.679 ( 0.740 0.000 1.763) 1.912 3.781 ( -3.255 0.000 -0.272) 3.266 3.781 ( 3.255 0.000 0.272) 3.266 3.792 ( 2.292 0.000 -3.070) 3.831 3.792 ( -2.292 0.000 3.070) 3.831 3.870 ( -2.094 0.000 -2.564) 3.310 3.870 ( 2.094 0.000 2.564) 3.310 4.100 ( 1.552 0.000 -3.456) 3.788 4.100 ( -1.552 0.000 3.456) 3.788 4.223 ( -2.237 0.000 -3.891) 4.488 4.223 ( 2.237 0.000 3.891) 4.488 4.389 ( 1.224 0.000 -0.433) 1.299 4.389 ( -1.224 0.000 0.433) 1.299 5.254 ( -0.092 0.000 -0.040) 0.100 5.254 ( 0.092 0.000 0.040) 0.100 5.676 ( 0.001 0.000 -0.172) 0.172 5.676 ( -0.001 0.000 0.172) 0.172 6.173 ( -0.688 0.000 -0.873) 1.111 6.173 ( 0.688 0.000 0.873) 1.111 6.274 ( -0.687 0.000 -0.253) 0.732 6.274 ( 0.687 0.000 0.253) 0.732 6.397 ( 0.265 0.000 -0.172) 0.316 6.397 ( -0.265 0.000 0.172) 0.316 6.420 ( 0.116 0.000 -0.374) 0.392 6.420 ( -0.116 0.000 0.374) 0.392 6.751 ( 0.140 0.000 -0.180) 0.228 6.751 ( -0.140 0.000 0.180) 0.228 6.862 ( -0.950 0.000 -0.221) 0.975 6.862 ( 0.950 0.000 0.221) 0.975 6.876 ( -0.436 0.000 -2.961) 2.993 6.876 ( 0.436 0.000 2.961) 2.993 7.090 ( -0.078 0.000 0.009) 0.079 7.090 ( 0.078 0.000 -0.009) 0.079 7.276 ( -0.098 0.000 -0.283) 0.300 7.276 ( 0.098 0.000 0.283) 0.300 7.469 ( 0.000 0.000 -1.928) 1.928 7.469 ( -0.000 0.000 1.928) 1.928 7.484 ( -0.177 0.000 -0.897) 0.915 7.484 ( 0.177 0.000 0.897) 0.915 7.541 ( -0.015 0.000 -1.616) 1.616 7.541 ( 0.015 0.000 1.616) 1.616======================= Grid point 68 (32/42) =======================q-point: ( 0.33 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 42Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.366 ( 0.605 0.000 9.446) 9.465 0.431 ( 4.379 0.000 7.837) 8.977 0.563 ( 7.958 0.000 -6.380) 10.200 0.598 ( -7.053 0.000 -14.226) 15.878 0.672 ( -7.604 0.000 -2.425) 7.981 0.736 ( -5.364 0.000 -2.006) 5.727 0.787 ( -5.224 0.000 5.496) 7.583 0.806 ( -3.511 0.000 -6.166) 7.095 1.034 ( 1.875 0.000 -0.750) 2.019 1.084 ( 0.631 0.000 -0.742) 0.974 1.136 ( 6.406 0.000 2.462) 6.862 1.175 ( 3.775 0.000 -3.057) 4.857 1.202 ( 0.736 0.000 8.477) 8.509 1.208 ( -3.615 0.000 -5.228) 6.356 1.322 ( -2.430 0.000 -3.413) 4.189 1.337 ( -3.473 0.000 2.283) 4.157 1.342 ( 11.136 0.000 4.788) 12.121 1.414 ( -1.723 0.000 4.783) 5.083 1.476 ( -2.301 0.000 -3.505) 4.192 1.517 ( -2.652 0.000 2.137) 3.406 1.556 ( 2.369 0.000 4.480) 5.068 1.579 ( -0.334 0.000 -4.254) 4.267 1.725 ( 2.424 0.000 0.109) 2.426 1.778 ( 1.993 0.000 -0.171) 2.001 1.784 ( 1.581 0.000 6.559) 6.747 1.800 ( 0.468 0.000 -3.322) 3.355 1.846 ( -1.250 0.000 2.724) 2.997 1.898 ( -3.350 0.000 -4.589) 5.682 1.979 ( -1.229 0.000 -2.223) 2.541 1.994 ( -3.172 0.000 0.180) 3.177 2.036 ( 3.955 0.000 -2.676) 4.775 2.088 ( 0.708 0.000 7.503) 7.536 2.148 ( 1.600 0.000 -2.139) 2.672 2.167 ( 0.551 0.000 -3.434) 3.478 2.349 ( -1.397 0.000 0.907) 1.665 2.386 ( -2.400 0.000 2.604) 3.541 2.397 ( 0.707 0.000 -2.048) 2.167 2.430 ( -1.653 0.000 -1.432) 2.187 2.463 ( 1.464 0.000 0.213) 1.480 2.487 ( 0.554 0.000 2.330) 2.395 2.521 ( -0.637 0.000 -2.148) 2.240 2.552 ( -0.542 0.000 0.884) 1.037 2.607 ( -1.172 0.000 3.654) 3.837 2.614 ( -2.165 0.000 -6.729) 7.069 2.765 ( 0.419 0.000 0.030) 0.420 2.813 ( -2.537 0.000 0.390) 2.567 2.961 ( 5.349 0.000 -1.022) 5.446 2.965 ( 5.417 0.000 1.918) 5.747 3.054 ( -2.805 0.000 1.772) 3.318 3.075 ( -3.001 0.000 -1.514) 3.361 3.289 ( 0.086 0.000 0.900) 0.904 3.317 ( -1.542 0.000 -2.745) 3.148 3.355 ( 2.604 0.000 2.864) 3.871 3.372 ( 1.211 0.000 -0.612) 1.357 3.468 ( 2.378 0.000 2.546) 3.484 3.477 ( 0.446 0.000 -3.014) 3.047 3.547 ( 0.029 0.000 1.071) 1.071 3.556 ( -2.088 0.000 -1.393) 2.509 3.628 ( -2.039 0.000 0.995) 2.269 3.630 ( -0.663 0.000 -3.794) 3.851 3.649 ( -0.441 0.000 0.492) 0.661 3.665 ( -2.616 0.000 2.274) 3.466 3.721 ( -0.560 0.000 -0.156) 0.581 3.722 ( -1.082 0.000 2.220) 2.470 3.851 ( 2.268 0.000 -3.461) 4.137 3.858 ( 1.485 0.000 0.043) 1.485 3.877 ( 2.135 0.000 -0.724) 2.254 3.926 ( -0.683 0.000 5.729) 5.769 4.090 ( 1.352 0.000 4.123) 4.339 4.118 ( 0.417 0.000 -4.513) 4.532 4.187 ( 0.579 0.000 -4.740) 4.775 4.237 ( -2.574 0.000 3.268) 4.160 4.373 ( 0.672 0.000 0.759) 1.014 4.396 ( -0.492 0.000 -1.346) 1.433 5.254 ( 0.066 0.000 0.020) 0.069 5.256 ( -0.026 0.000 -0.026) 0.037 5.677 ( 0.042 0.000 -0.136) 0.143 5.677 ( 0.007 0.000 0.167) 0.167 6.184 ( 1.617 0.000 -0.525) 1.700 6.211 ( 1.715 0.000 0.281) 1.738 6.239 ( -1.660 0.000 0.486) 1.730 6.265 ( -1.400 0.000 -0.218) 1.417 6.384 ( -0.488 0.000 0.628) 0.795 6.388 ( -0.651 0.000 -0.639) 0.912 6.420 ( 0.093 0.000 -0.107) 0.141 6.421 ( 0.013 0.000 -0.150) 0.151 6.775 ( 1.979 0.000 0.659) 2.086 6.776 ( 1.756 0.000 -0.564) 1.845 6.820 ( -2.117 0.000 0.912) 2.305 6.828 ( -2.217 0.000 -1.068) 2.461 6.895 ( 0.740 0.000 -1.601) 1.764 6.896 ( 0.336 0.000 2.121) 2.148 7.090 ( 0.060 0.000 -0.168) 0.178 7.091 ( -0.026 0.000 -0.055) 0.061 7.273 ( 0.007 0.000 -0.281) 0.281 7.275 ( -0.158 0.000 0.325) 0.361 7.469 ( 0.217 0.000 -1.114) 1.135 7.473 ( 0.025 0.000 -0.523) 0.524 7.479 ( -0.063 0.000 1.719) 1.720 7.486 ( -0.188 0.000 0.072) 0.201 7.534 ( -0.168 0.000 -1.191) 1.203 7.535 ( -0.476 0.000 1.114) 1.211======================= Grid point 70 (33/42) =======================q-point: ( 0.00 0.10 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 35Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.341 ( -0.996 1.670 -9.458) 9.656 0.341 ( 0.996 1.670 9.458) 9.656 0.638 ( 5.846 4.243 -5.451) 9.050 0.638 ( -5.846 4.243 5.451) 9.050 0.823 ( 2.475 -0.944 -2.960) 3.972 0.823 ( -2.475 -0.944 2.960) 3.972 0.945 ( -0.219 -0.279 -6.464) 6.474 0.945 ( 0.219 -0.279 6.464) 6.474 1.031 ( 2.335 1.007 -4.243) 4.947 1.031 ( -2.335 1.007 4.243) 4.947 1.067 ( -0.185 -0.302 -1.412) 1.455 1.067 ( 0.185 -0.302 1.412) 1.455 1.125 ( 3.304 1.125 -3.488) 4.934 1.125 ( -3.304 1.125 3.488) 4.934 1.338 ( -0.625 -0.890 -3.518) 3.682 1.338 ( 0.625 -0.890 3.518) 3.682 1.400 ( -5.182 0.723 -2.589) 5.837 1.400 ( 5.182 0.723 2.589) 5.837 1.472 ( 3.605 -0.919 -6.247) 7.271 1.472 ( -3.605 -0.919 6.247) 7.271 1.591 ( 3.182 -0.806 -4.860) 5.865 1.591 ( -3.182 -0.806 4.860) 5.865 1.689 ( -2.111 -2.548 -1.175) 3.511 1.689 ( 2.111 -2.548 1.175) 3.511 1.771 ( -0.656 0.430 -1.769) 1.936 1.771 ( 0.656 0.430 1.769) 1.936 1.888 ( -2.050 -2.071 -3.061) 4.226 1.888 ( 2.050 -2.071 3.061) 4.226 2.004 ( 2.335 1.574 -2.176) 3.559 2.004 ( -2.335 1.574 2.176) 3.559 2.054 ( -0.382 2.753 -2.570) 3.786 2.054 ( 0.382 2.753 2.570) 3.786 2.191 ( 0.609 0.556 -3.143) 3.250 2.191 ( -0.609 0.556 3.143) 3.250 2.330 ( 2.898 -4.792 -1.866) 5.903 2.330 ( -2.898 -4.792 1.866) 5.903 2.393 ( 0.657 -1.080 -5.044) 5.200 2.393 ( -0.657 -1.080 5.044) 5.200 2.489 ( 0.135 2.311 -3.345) 4.068 2.489 ( -0.135 2.311 3.345) 4.068 2.570 ( -0.209 1.158 -2.130) 2.434 2.570 ( 0.209 1.158 2.130) 2.434 2.634 ( 0.007 -1.496 -1.767) 2.316 2.634 ( -0.007 -1.496 1.767) 2.316 2.806 ( -1.398 -1.455 -4.440) 4.877 2.806 ( 1.398 -1.455 4.440) 4.877 2.872 ( -1.155 0.096 -5.460) 5.581 2.872 ( 1.155 0.096 5.460) 5.581 3.086 ( -0.658 -1.175 -0.642) 1.492 3.086 ( 0.658 -1.175 0.642) 1.492 3.286 ( -1.092 -1.209 -1.527) 2.233 3.286 ( 1.092 -1.209 1.527) 2.233 3.340 ( 0.014 -0.710 -0.366) 0.799 3.340 ( -0.014 -0.710 0.366) 0.799 3.453 ( 1.388 0.703 -1.132) 1.924 3.453 ( -1.388 0.703 1.132) 1.924 3.563 ( -1.372 -0.105 0.189) 1.388 3.563 ( 1.372 -0.105 -0.189) 1.388 3.617 ( -1.866 -3.422 -1.352) 4.125 3.617 ( 1.866 -3.422 1.352) 4.125 3.660 ( -0.164 -0.612 -3.074) 3.139 3.660 ( 0.164 -0.612 3.074) 3.139 3.779 ( -0.847 0.061 -0.866) 1.212 3.779 ( 0.847 0.061 0.866) 1.212 3.833 ( 1.498 2.742 -3.226) 4.491 3.833 ( -1.498 2.742 3.226) 4.491 3.883 ( -2.815 1.370 -2.640) 4.095 3.883 ( 2.815 1.370 2.640) 4.095 4.102 ( 1.172 0.267 -3.410) 3.616 4.102 ( -1.172 0.267 3.410) 3.616 4.237 ( -1.733 1.033 -4.293) 4.743 4.237 ( 1.733 1.033 4.293) 4.743 4.392 ( 0.926 0.118 -1.522) 1.785 4.392 ( -0.926 0.118 1.522) 1.785 5.252 ( -0.063 -0.178 -0.182) 0.262 5.252 ( 0.063 -0.178 0.182) 0.262 5.679 ( 0.033 0.265 -0.396) 0.478 5.679 ( -0.033 0.265 0.396) 0.478 6.176 ( -0.536 0.189 -0.794) 0.976 6.176 ( 0.536 0.189 0.794) 0.976 6.277 ( -0.705 0.300 -0.211) 0.795 6.277 ( 0.705 0.300 0.211) 0.795 6.393 ( -0.103 -0.319 -0.246) 0.416 6.393 ( 0.103 -0.319 0.246) 0.416 6.419 ( 0.003 -0.041 -0.169) 0.174 6.419 ( -0.003 -0.041 0.169) 0.174 6.749 ( 0.077 -0.260 -0.335) 0.431 6.749 ( -0.077 -0.260 0.335) 0.431 6.849 ( -1.095 -0.934 -0.257) 1.462 6.849 ( 1.095 -0.934 0.257) 1.462 6.882 ( -0.395 0.344 -2.307) 2.366 6.882 ( 0.395 0.344 2.307) 2.366 7.094 ( -0.059 0.381 -0.070) 0.392 7.094 ( 0.059 0.381 0.070) 0.392 7.273 ( -0.006 -0.296 -0.307) 0.427 7.273 ( 0.006 -0.296 0.307) 0.427 7.469 ( -0.395 -0.030 -2.044) 2.082 7.469 ( 0.395 -0.030 2.044) 2.082 7.487 ( 0.207 0.167 -0.909) 0.947 7.487 ( -0.207 0.167 0.909) 0.947 7.539 ( -0.025 -0.039 -1.284) 1.285 7.539 ( 0.025 -0.039 1.284) 1.285======================= Grid point 72 (34/42) =======================q-point: ( 0.33 0.10 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.372 ( 8.116 -2.543 -0.965) 8.560 0.451 ( 0.471 2.277 0.241) 2.338 0.530 ( -2.473 -0.866 -1.219) 2.890 0.610 ( 0.026 2.610 -6.199) 6.726 0.664 ( -11.785 -3.414 -6.178) 13.738 0.744 ( -5.089 3.130 0.315) 5.983 0.834 ( -3.963 4.437 3.883) 7.104 0.849 ( -3.944 2.842 -0.735) 4.917 1.048 ( 3.535 1.036 1.354) 3.925 1.075 ( 2.120 -0.305 -0.469) 2.192 1.104 ( 4.583 -1.174 0.581) 4.767 1.176 ( 1.199 -0.526 -2.104) 2.478 1.190 ( 2.455 -1.312 5.302) 5.989 1.224 ( -3.514 0.562 -5.107) 6.224 1.300 ( -0.476 -1.058 2.738) 2.974 1.320 ( -3.226 -1.280 -0.419) 3.496 1.364 ( 8.903 1.606 1.217) 9.128 1.432 ( 0.802 1.081 1.223) 1.819 1.507 ( -1.312 2.457 2.765) 3.924 1.541 ( 2.312 0.013 -1.495) 2.753 1.556 ( 0.765 0.341 1.549) 1.761 1.589 ( -1.936 1.615 -1.392) 2.880 1.700 ( 2.718 -2.298 0.279) 3.570 1.762 ( 0.712 -2.714 0.111) 2.808 1.770 ( 1.982 -0.831 -1.056) 2.395 1.782 ( 0.326 0.185 5.222) 5.235 1.827 ( -0.947 -1.025 1.419) 1.990 1.906 ( -3.428 0.516 -4.317) 5.536 1.946 ( 0.356 -2.814 -2.508) 3.786 1.985 ( -3.975 -0.965 0.435) 4.114 2.075 ( 2.108 2.714 -1.799) 3.879 2.100 ( 3.285 -1.224 0.149) 3.509 2.142 ( -3.247 2.209 5.058) 6.403 2.174 ( -1.579 -0.216 -3.609) 3.945 2.295 ( 1.460 -3.242 0.438) 3.582 2.363 ( -2.024 -3.001 2.388) 4.337 2.392 ( 0.898 -0.853 0.134) 1.246 2.433 ( 2.489 -1.468 -2.737) 3.980 2.450 ( -1.936 1.507 -0.709) 2.554 2.502 ( -2.943 -0.137 0.162) 2.950 2.522 ( 1.263 1.602 2.102) 2.930 2.572 ( -1.515 0.786 -0.349) 1.743 2.606 ( 0.702 0.215 -0.391) 0.832 2.626 ( -1.548 0.734 -3.169) 3.603 2.769 ( 0.506 0.016 1.391) 1.480 2.810 ( -2.148 -0.250 -0.689) 2.270 2.912 ( 4.830 -3.123 0.859) 5.816 2.975 ( 4.656 -0.068 -0.073) 4.657 3.023 ( -4.309 -3.649 -1.076) 5.749 3.061 ( -2.626 -0.244 1.129) 2.869 3.284 ( 1.298 0.007 1.482) 1.970 3.318 ( -0.265 -1.400 -2.874) 3.208 3.352 ( 1.616 -0.264 1.553) 2.257 3.360 ( 1.424 -0.770 -0.352) 1.657 3.457 ( 1.872 -0.335 2.462) 3.111 3.488 ( -0.277 0.322 -0.762) 0.873 3.529 ( -1.244 -1.291 0.323) 1.821 3.537 ( -2.835 -2.015 -2.901) 4.529 3.604 ( 0.521 -1.454 2.690) 3.102 3.619 ( -0.954 -0.331 -2.244) 2.461 3.651 ( 0.546 0.386 -1.704) 1.831 3.679 ( -0.117 0.161 2.112) 2.122 3.718 ( -0.412 0.829 1.891) 2.105 3.765 ( -2.971 2.518 -0.586) 3.938 3.853 ( 1.764 -0.262 -0.177) 1.792 3.858 ( 1.206 0.468 -1.063) 1.674 3.893 ( 2.601 1.712 -2.128) 3.771 3.941 ( -0.486 1.410 5.077) 5.291 4.094 ( 0.923 0.468 3.378) 3.533 4.118 ( 0.529 -0.022 -4.384) 4.416 4.200 ( 0.151 1.051 -4.768) 4.885 4.244 ( -2.535 0.482 4.086) 4.833 4.375 ( 0.364 0.119 1.439) 1.489 4.395 ( -0.540 -0.126 -1.863) 1.944 5.252 ( 0.087 -0.134 -0.093) 0.185 5.254 ( -0.009 -0.166 0.142) 0.219 5.680 ( 0.049 0.313 0.140) 0.347 5.680 ( 0.058 0.303 -0.099) 0.324 6.189 ( 1.642 0.377 -0.492) 1.755 6.211 ( 1.975 -0.039 0.392) 2.014 6.241 ( -1.983 0.156 0.270) 2.007 6.265 ( -1.705 -0.013 -0.119) 1.709 6.382 ( -0.209 -0.107 0.279) 0.365 6.389 ( -0.564 0.031 -0.321) 0.650 6.418 ( 0.100 -0.114 -0.209) 0.259 6.421 ( -0.043 -0.043 0.016) 0.063 6.764 ( 1.510 -0.692 0.171) 1.670 6.779 ( 1.953 -0.141 -0.042) 1.959 6.807 ( -1.938 -0.789 0.270) 2.109 6.830 ( -2.128 -0.127 -0.384) 2.166 6.892 ( 0.945 -0.046 -0.471) 1.057 6.900 ( 0.235 0.204 0.754) 0.816 7.094 ( 0.048 0.368 -0.257) 0.452 7.095 ( -0.049 0.360 0.146) 0.392 7.270 ( -0.026 -0.264 -0.067) 0.274 7.272 ( -0.122 -0.315 0.113) 0.356 7.459 ( 0.050 -0.482 -1.044) 1.151 7.468 ( -0.771 -0.432 0.500) 1.015 7.490 ( 0.830 0.766 1.221) 1.663 7.500 ( 0.300 1.024 -0.469) 1.166 7.530 ( -0.325 -0.318 -1.133) 1.221 7.532 ( -0.593 -0.142 0.920) 1.104======================= Grid point 74 (35/42) =======================q-point: ( 0.00 0.20 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 36Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.461 ( -7.530 6.202 -1.810) 9.922 0.461 ( 7.530 6.202 1.810) 9.922 0.627 ( 2.528 -1.458 -4.154) 5.077 0.627 ( -2.528 -1.458 4.154) 5.077 0.831 ( -2.619 -0.491 -7.657) 8.107 0.831 ( 2.619 -0.491 7.657) 8.107 0.944 ( -3.247 1.679 -4.441) 5.752 0.944 ( 3.247 1.679 4.441) 5.752 1.047 ( -6.693 -1.204 -2.027) 7.096 1.047 ( 6.693 -1.204 2.027) 7.096 1.075 ( -0.911 2.951 -6.881) 7.542 1.075 ( 0.911 2.951 6.881) 7.542 1.170 ( 0.643 2.558 -3.751) 4.585 1.170 ( -0.643 2.558 3.751) 4.585 1.333 ( -0.843 0.285 -1.068) 1.391 1.333 ( 0.843 0.285 1.068) 1.391 1.400 ( -3.762 -0.604 -2.411) 4.510 1.400 ( 3.762 -0.604 2.411) 4.510 1.454 ( -2.022 -1.258 -1.582) 2.859 1.454 ( 2.022 -1.258 1.582) 2.859 1.548 ( 3.339 -2.738 -3.903) 5.821 1.548 ( -3.339 -2.738 3.903) 5.821 1.660 ( -0.128 -0.680 -3.643) 3.708 1.660 ( 0.128 -0.680 3.643) 3.708 1.773 ( -1.167 -0.092 -1.646) 2.020 1.773 ( 1.167 -0.092 1.646) 2.020 1.850 ( -1.329 -1.500 -0.564) 2.082 1.850 ( 1.329 -1.500 0.564) 2.082 2.014 ( 0.846 -0.636 -1.958) 2.226 2.014 ( -0.846 -0.636 1.958) 2.226 2.117 ( -2.482 2.733 -2.210) 4.303 2.117 ( 2.482 2.733 2.210) 4.303 2.180 ( -0.447 -2.231 -4.827) 5.337 2.180 ( 0.447 -2.231 4.827) 5.337 2.255 ( 1.418 -1.296 -3.434) 3.935 2.255 ( -1.418 -1.296 3.434) 3.935 2.371 ( 1.903 -1.303 -6.251) 6.663 2.371 ( -1.903 -1.303 6.251) 6.663 2.514 ( -1.393 -0.093 -1.212) 1.849 2.514 ( 1.393 -0.093 1.212) 1.849 2.575 ( -0.470 -1.280 -2.626) 2.959 2.575 ( 0.470 -1.280 2.626) 2.959 2.622 ( 2.193 1.112 -1.081) 2.686 2.622 ( -2.193 1.112 1.081) 2.686 2.787 ( 0.216 -0.342 -3.752) 3.774 2.787 ( -0.216 -0.342 3.752) 3.774 2.865 ( -0.793 -0.581 -6.800) 6.871 2.865 ( 0.793 -0.581 6.800) 6.871 3.033 ( -0.666 -3.311 -1.070) 3.542 3.033 ( 0.666 -3.311 1.070) 3.542 3.277 ( -0.985 -0.961 -0.717) 1.552 3.277 ( 0.985 -0.961 0.717) 1.552 3.331 ( -0.257 0.481 -1.534) 1.628 3.331 ( 0.257 0.481 1.534) 1.628 3.461 ( -2.543 -0.061 -1.485) 2.945 3.461 ( 2.543 -0.061 1.485) 2.945 3.536 ( -0.224 -2.470 -1.415) 2.856 3.536 ( 0.224 -2.470 1.415) 2.856 3.574 ( -1.509 -0.117 -4.047) 4.321 3.574 ( 1.509 -0.117 4.047) 4.321 3.649 ( -0.979 -0.415 -2.737) 2.936 3.649 ( 0.979 -0.415 2.737) 2.936 3.781 ( 0.472 0.111 -3.554) 3.587 3.781 ( -0.472 0.111 3.554) 3.587 3.881 ( -0.079 1.801 -3.222) 3.692 3.881 ( 0.079 1.801 3.222) 3.692 3.926 ( -2.617 2.861 -0.506) 3.910 3.926 ( 2.617 2.861 0.506) 3.910 4.108 ( 0.498 0.279 -3.124) 3.176 4.108 ( -0.498 0.279 3.124) 3.176 4.251 ( -0.828 0.080 -4.318) 4.398 4.251 ( 0.828 0.080 4.318) 4.398 4.389 ( 0.630 -0.353 -2.488) 2.590 4.389 ( -0.630 -0.353 2.488) 2.590 5.249 ( 0.010 -0.138 -0.520) 0.538 5.249 ( -0.010 -0.138 0.520) 0.538 5.686 ( 0.068 0.382 -0.912) 0.991 5.686 ( -0.068 0.382 0.912) 0.991 6.179 ( -0.226 0.065 -0.813) 0.846 6.179 ( 0.226 0.065 0.813) 0.846 6.286 ( -0.672 0.475 -0.075) 0.826 6.286 ( 0.672 0.475 0.075) 0.826 6.386 ( -0.235 -0.368 -0.356) 0.563 6.386 ( 0.235 -0.368 0.356) 0.563 6.418 ( -0.122 -0.071 -0.237) 0.275 6.418 ( 0.122 -0.071 0.237) 0.275 6.741 ( 0.103 -0.553 -0.792) 0.971 6.741 ( -0.103 -0.553 0.792) 0.971 6.832 ( -0.980 -0.705 0.146) 1.216 6.832 ( 0.980 -0.705 -0.146) 1.216 6.887 ( -0.371 0.163 -1.790) 1.835 6.887 ( 0.371 0.163 1.790) 1.835 7.104 ( -0.053 0.551 -0.324) 0.641 7.104 ( 0.053 0.551 0.324) 0.641 7.264 ( 0.053 -0.512 -0.256) 0.575 7.264 ( -0.053 -0.512 0.256) 0.575 7.467 ( -0.766 -0.203 -1.900) 2.059 7.467 ( 0.766 -0.203 1.900) 2.059 7.488 ( 0.064 -0.037 -0.667) 0.672 7.488 ( -0.064 -0.037 0.667) 0.672 7.545 ( -0.103 0.672 -0.927) 1.149 7.545 ( 0.103 0.672 0.927) 1.149======================= Grid point 76 (36/42) =======================q-point: ( 0.33 0.20 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 62Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.330 ( 0.280 1.040 -3.080) 3.263 0.458 ( -7.624 -4.524 5.664) 10.520 0.529 ( -3.893 2.665 -0.996) 4.822 0.607 ( -10.373 -0.680 -13.329) 16.903 0.694 ( 7.067 4.485 -0.990) 8.429 0.827 ( -2.606 3.952 -3.642) 5.973 0.910 ( -1.058 3.177 1.470) 3.657 0.943 ( -2.803 5.172 2.469) 6.380 1.042 ( 3.884 0.170 1.886) 4.321 1.067 ( 3.500 -1.161 2.968) 4.733 1.135 ( 0.441 2.561 -1.028) 2.795 1.155 ( -2.450 -0.632 -2.471) 3.537 1.166 ( 2.382 -0.750 1.812) 3.085 1.234 ( -2.749 0.805 -1.042) 3.048 1.267 ( -1.918 -1.810 5.287) 5.908 1.309 ( -3.581 0.292 -0.780) 3.676 1.391 ( 8.585 0.131 3.353) 9.217 1.437 ( 4.500 -0.245 -3.902) 5.961 1.518 ( 3.686 -1.484 2.054) 4.474 1.540 ( 2.110 -2.380 -0.497) 3.219 1.554 ( -0.511 1.537 1.841) 2.452 1.594 ( -2.121 -2.150 0.721) 3.105 1.653 ( 3.147 -1.942 -2.943) 4.726 1.711 ( 0.378 -1.510 0.860) 1.778 1.765 ( 2.540 0.265 2.270) 3.417 1.804 ( 0.593 0.239 -0.618) 0.889 1.837 ( 0.717 3.198 1.549) 3.626 1.877 ( 0.809 -3.375 -0.308) 3.484 1.923 ( -4.011 -0.085 0.284) 4.022 1.967 ( -7.942 0.336 -3.693) 8.766 2.044 ( 1.623 -2.272 -1.169) 3.027 2.116 ( -2.875 -0.715 -3.375) 4.491 2.143 ( -0.156 -1.488 4.119) 4.382 2.193 ( -2.261 0.500 0.276) 2.332 2.258 ( 1.627 -0.818 2.935) 3.454 2.290 ( 0.631 -3.465 -2.777) 4.485 2.358 ( 2.052 -0.844 3.282) 3.962 2.426 ( 1.528 -0.230 -5.378) 5.596 2.473 ( -1.357 -0.654 1.059) 1.841 2.493 ( -4.833 -0.480 -0.310) 4.866 2.552 ( 1.819 1.510 2.949) 3.780 2.581 ( 0.142 0.540 -2.493) 2.555 2.617 ( 1.138 0.491 -1.170) 1.704 2.642 ( -1.062 1.440 0.572) 1.878 2.750 ( 0.726 -1.716 1.689) 2.515 2.801 ( -2.649 -0.830 -2.035) 3.442 2.859 ( 3.400 -1.719 0.561) 3.851 2.955 ( -4.093 -2.510 -1.851) 5.146 2.971 ( 4.395 -0.476 2.478) 5.067 3.041 ( -1.249 -1.807 -1.102) 2.458 3.269 ( 0.486 -1.430 1.127) 1.884 3.296 ( -1.075 -0.149 -0.134) 1.093 3.319 ( 1.942 -2.559 0.154) 3.216 3.354 ( -0.619 -0.004 1.319) 1.457 3.451 ( 1.624 -1.368 -1.626) 2.674 3.471 ( -1.214 -1.239 0.778) 1.901 3.512 ( -1.235 0.152 -1.321) 1.815 3.518 ( -0.856 0.431 -0.897) 1.313 3.575 ( 1.148 -1.735 1.160) 2.381 3.609 ( -1.357 -1.225 -2.102) 2.785 3.646 ( 3.503 0.468 1.331) 3.777 3.697 ( 1.588 1.159 1.767) 2.644 3.750 ( -1.958 1.746 2.530) 3.644 3.781 ( -1.332 -1.013 -2.924) 3.369 3.857 ( 0.391 0.443 -1.785) 1.880 3.872 ( -0.592 1.239 2.608) 2.948 3.942 ( 2.378 2.978 -2.506) 4.562 3.978 ( -0.095 2.042 2.919) 3.564 4.108 ( 0.727 0.758 1.563) 1.883 4.118 ( 0.490 0.180 -2.765) 2.814 4.221 ( -0.085 0.914 -3.767) 3.877 4.251 ( -1.858 0.098 3.768) 4.202 4.374 ( -0.178 -0.347 1.898) 1.938 4.387 ( -0.592 -0.732 -1.953) 2.168 5.249 ( 0.093 -0.141 -0.457) 0.487 5.250 ( -0.010 -0.180 0.529) 0.559 5.687 ( 0.092 0.385 0.085) 0.405 5.688 ( 0.079 0.405 -0.059) 0.417 6.196 ( 1.763 0.300 -0.488) 1.854 6.209 ( 2.151 -0.166 0.494) 2.213 6.246 ( -2.304 0.323 0.070) 2.327 6.265 ( -2.302 0.046 0.007) 2.303 6.381 ( 0.257 -0.017 0.159) 0.303 6.389 ( -0.262 0.022 -0.282) 0.386 6.416 ( 0.064 -0.137 -0.247) 0.290 6.419 ( -0.137 -0.103 0.193) 0.258 6.749 ( 1.141 -0.769 0.299) 1.409 6.767 ( 1.003 -0.950 -0.194) 1.395 6.797 ( -0.968 -0.186 0.265) 1.020 6.823 ( -1.666 -0.547 -0.345) 1.787 6.894 ( 0.968 0.180 -0.790) 1.263 6.903 ( 0.194 0.101 0.827) 0.855 7.103 ( 0.046 0.501 -0.369) 0.624 7.105 ( -0.101 0.547 0.443) 0.711 7.263 ( -0.060 -0.484 0.233) 0.540 7.263 ( -0.068 -0.511 -0.194) 0.551 7.451 ( -0.058 -0.281 -0.998) 1.039 7.461 ( -0.963 -0.183 0.479) 1.091 7.499 ( 1.354 -0.061 1.330) 1.899 7.514 ( 0.986 -0.140 -0.500) 1.115 7.531 ( -0.826 0.929 -1.097) 1.658 7.538 ( -0.775 0.789 0.689) 1.303======================= Grid point 78 (37/42) =======================q-point: ( 0.00 0.30 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 35Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.450 ( 3.902 -3.445 -3.942) 6.529 0.450 ( -3.902 -3.445 3.942) 6.529 0.726 ( -2.851 7.704 -2.420) 8.564 0.726 ( 2.851 7.704 2.420) 8.564 0.807 ( -6.867 -1.241 -10.620) 12.707 0.807 ( 6.867 -1.241 10.620) 12.707 0.974 ( 0.236 -0.368 -2.198) 2.241 0.974 ( -0.236 -0.368 2.198) 2.241 1.042 ( -4.817 1.337 -3.170) 5.919 1.042 ( 4.817 1.337 3.170) 5.919 1.132 ( -0.403 2.364 -6.196) 6.644 1.132 ( 0.403 2.364 6.196) 6.644 1.217 ( 0.914 2.203 -2.954) 3.797 1.217 ( -0.914 2.203 2.954) 3.797 1.324 ( 0.172 -1.346 -1.173) 1.794 1.324 ( -0.172 -1.346 1.173) 1.794 1.393 ( -1.471 -1.547 -0.862) 2.302 1.393 ( 1.471 -1.547 0.862) 2.302 1.420 ( -0.520 0.062 -0.186) 0.556 1.420 ( 0.520 0.062 0.186) 0.556 1.507 ( 0.210 -1.261 -1.941) 2.324 1.507 ( -0.210 -1.262 1.941) 2.324 1.650 ( -0.993 -0.190 -4.703) 4.810 1.650 ( 0.993 -0.190 4.703) 4.810 1.754 ( -1.958 -1.984 0.297) 2.803 1.754 ( 1.958 -1.984 -0.297) 2.803 1.836 ( -2.230 -0.488 -0.512) 2.340 1.836 ( 2.230 -0.488 0.512) 2.340 1.987 ( -0.470 -0.966 -2.250) 2.493 1.987 ( 0.470 -0.966 2.250) 2.493 2.095 ( 0.943 -3.369 -4.585) 5.767 2.095 ( -0.943 -3.369 4.585) 5.767 2.192 ( -3.360 2.195 -0.894) 4.112 2.192 ( 3.360 2.195 0.894) 4.112 2.246 ( -0.659 -0.902 -5.026) 5.149 2.246 ( 0.659 -0.902 5.026) 5.149 2.336 ( 1.586 -1.688 -6.426) 6.830 2.336 ( -1.586 -1.688 6.426) 6.830 2.492 ( 1.328 -2.106 -3.774) 4.521 2.492 ( -1.328 -2.106 3.774) 4.521 2.557 ( -1.637 0.079 -1.329) 2.110 2.557 ( 1.637 0.079 1.329) 2.110 2.648 ( 2.409 1.174 -1.591) 3.116 2.648 ( -2.409 1.174 1.591) 3.116 2.778 ( 2.191 -1.010 -2.124) 3.214 2.778 ( -2.191 -1.010 2.124) 3.214 2.861 ( -3.069 0.213 -5.805) 6.569 2.861 ( 3.069 0.213 5.805) 6.569 2.985 ( -1.231 -1.066 0.007) 1.628 2.985 ( 1.231 -1.066 -0.007) 1.628 3.234 ( 0.110 -2.304 -1.692) 2.861 3.234 ( -0.110 -2.304 1.692) 2.861 3.347 ( -1.872 0.207 -0.700) 2.009 3.347 ( 1.872 0.207 0.700) 2.009 3.444 ( -3.789 -1.634 -3.971) 5.727 3.444 ( 3.789 -1.634 3.971) 5.727 3.517 ( -1.187 0.831 -2.342) 2.754 3.517 ( 1.187 0.831 2.342) 2.754 3.578 ( -0.263 -0.035 -2.470) 2.484 3.578 ( 0.263 -0.035 2.470) 2.484 3.655 ( -2.782 1.189 -0.738) 3.114 3.655 ( 2.782 1.189 0.738) 3.114 3.783 ( -0.521 0.095 -4.158) 4.191 3.783 ( 0.521 0.095 4.158) 4.191 3.899 ( -1.779 0.112 -3.640) 4.053 3.899 ( 1.779 0.112 3.640) 4.053 3.991 ( 0.468 3.204 -1.772) 3.692 3.991 ( -0.468 3.204 1.773) 3.692 4.112 ( -0.179 0.150 -2.263) 2.275 4.112 ( 0.179 0.150 2.263) 2.275 4.237 ( -0.500 -1.379 -3.457) 3.755 4.237 ( 0.500 -1.379 3.457) 3.755 4.382 ( 0.425 -0.313 -2.197) 2.260 4.382 ( -0.425 -0.313 2.197) 2.260 5.247 ( 0.078 -0.018 -1.020) 1.024 5.247 ( -0.078 -0.018 1.020) 1.024 5.693 ( 0.064 0.289 -1.321) 1.354 5.693 ( -0.064 0.289 1.321) 1.354 6.178 ( 0.061 -0.083 -0.951) 0.957 6.178 ( -0.061 -0.083 0.951) 0.957 6.295 ( -0.897 0.441 0.166) 1.013 6.295 ( 0.897 0.441 -0.166) 1.013 6.380 ( -0.344 -0.159 -0.358) 0.522 6.380 ( 0.344 -0.159 0.358) 0.522 6.416 ( -0.036 -0.149 -0.496) 0.519 6.416 ( 0.036 -0.149 0.496) 0.519 6.728 ( 0.226 -0.663 -1.335) 1.508 6.728 ( -0.226 -0.663 1.335) 1.508 6.822 ( 0.180 -0.280 -0.684) 0.760 6.822 ( -0.180 -0.280 0.684) 0.760 6.889 ( -0.260 0.029 -1.282) 1.309 6.889 ( 0.260 0.029 1.282) 1.309 7.116 ( -0.066 0.559 -0.621) 0.838 7.116 ( 0.066 0.559 0.621) 0.838 7.253 ( 0.037 -0.561 -0.188) 0.592 7.253 ( -0.037 -0.561 0.188) 0.592 7.460 ( -0.676 -0.425 -1.100) 1.360 7.460 ( 0.676 -0.425 1.100) 1.360 7.488 ( -0.964 0.107 -0.739) 1.219 7.488 ( 0.964 0.107 0.739) 1.219 7.562 ( -0.100 0.888 -0.822) 1.214 7.562 ( 0.100 0.888 0.822) 1.214======================= Grid point 80 (38/42) =======================q-point: ( 0.33 0.30 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.351 ( -2.583 0.324 4.750) 5.417 0.425 ( -5.602 0.033 -2.903) 6.309 0.579 ( -5.673 2.308 0.486) 6.144 0.590 ( -5.702 -0.323 -12.438) 13.687 0.797 ( 3.474 5.353 -0.184) 6.384 0.884 ( -2.351 1.827 -3.806) 4.832 0.939 ( 1.669 -0.510 0.187) 1.755 0.999 ( 1.125 -0.142 1.218) 1.665 1.059 ( 2.206 1.916 3.705) 4.718 1.078 ( -1.295 2.164 1.667) 3.023 1.145 ( 2.549 0.014 -0.176) 2.555 1.185 ( -1.848 2.481 1.028) 3.260 1.187 ( -0.795 2.795 -3.324) 4.415 1.226 ( -2.897 -0.631 3.569) 4.640 1.292 ( -1.302 3.144 1.109) 3.579 1.324 ( -2.272 0.660 1.818) 2.983 1.365 ( 6.875 -2.306 4.141) 8.351 1.400 ( 3.702 -3.656 -1.122) 5.323 1.473 ( 1.753 -2.665 -2.005) 3.768 1.498 ( -0.594 -1.768 -2.272) 2.940 1.536 ( 2.137 -1.188 0.689) 2.541 1.567 ( 0.818 -0.724 1.394) 1.771 1.641 ( 2.731 0.748 -0.852) 2.957 1.695 ( -1.085 -0.911 -0.307) 1.450 1.747 ( 2.907 -2.154 5.654) 6.712 1.782 ( 0.143 -3.094 -2.629) 4.063 1.818 ( 1.892 -2.356 0.960) 3.170 1.881 ( 0.043 1.281 2.186) 2.534 1.934 ( -0.968 2.012 -0.832) 2.382 2.009 ( -6.217 2.073 -4.183) 7.774 2.029 ( 1.126 0.604 -1.356) 1.863 2.083 ( -1.734 -2.768 -5.770) 6.630 2.096 ( -0.414 -1.242 5.098) 5.263 2.187 ( -5.607 -0.723 1.336) 5.809 2.206 ( 1.537 -3.223 -1.923) 4.056 2.247 ( -1.190 -1.167 2.234) 2.787 2.369 ( 2.309 -1.054 3.474) 4.302 2.381 ( 2.386 -3.018 -3.963) 5.523 2.447 ( -1.794 -0.790 -2.525) 3.197 2.467 ( -3.230 -2.114 1.710) 4.222 2.577 ( 1.838 -0.087 0.484) 1.902 2.601 ( -0.063 1.468 2.043) 2.516 2.635 ( 3.626 2.229 -2.706) 5.044 2.686 ( 0.351 2.062 0.788) 2.235 2.719 ( 0.033 -1.105 1.018) 1.503 2.778 ( -3.528 -1.253 -3.266) 4.968 2.834 ( 1.181 -1.166 1.126) 2.005 2.904 ( -3.254 -2.944 -2.614) 5.107 2.973 ( 2.943 1.369 4.534) 5.576 3.012 ( 0.278 -0.756 -1.636) 1.823 3.244 ( 0.769 -3.147 1.802) 3.707 3.249 ( 1.277 -0.668 -0.921) 1.710 3.333 ( 0.330 1.839 1.009) 2.123 3.348 ( -2.125 -0.216 -1.294) 2.498 3.411 ( 1.804 -2.115 -0.820) 2.899 3.456 ( -2.432 0.118 -1.590) 2.908 3.521 ( 0.891 0.071 1.820) 2.027 3.539 ( 1.252 -0.057 1.215) 1.746 3.549 ( -1.321 0.810 -0.628) 1.672 3.577 ( -1.419 -1.539 -0.694) 2.206 3.657 ( 2.912 -0.009 2.992) 4.175 3.717 ( 0.650 0.152 -0.974) 1.181 3.757 ( -0.881 -0.310 -2.318) 2.499 3.765 ( -1.422 -0.175 1.038) 1.769 3.872 ( 0.928 1.366 -3.040) 3.459 3.906 ( -1.553 1.852 3.481) 4.238 4.002 ( 1.011 2.526 -0.732) 2.817 4.012 ( 0.312 1.240 0.892) 1.559 4.117 ( 1.189 0.176 -1.472) 1.900 4.129 ( 0.342 0.715 0.667) 1.036 4.228 ( 0.616 -0.540 -2.981) 3.092 4.247 ( -0.525 -0.319 3.036) 3.098 4.362 ( -0.912 -0.706 2.019) 2.325 4.370 ( -0.877 -0.759 -1.954) 2.272 5.248 ( 0.087 -0.040 -1.000) 1.005 5.248 ( -0.062 -0.049 1.034) 1.037 5.694 ( 0.197 0.291 -1.075) 1.132 5.695 ( -0.004 0.312 1.076) 1.120 6.198 ( 1.784 -0.075 0.151) 1.792 6.206 ( 2.206 -0.046 -0.153) 2.212 6.251 ( -2.425 0.143 -0.030) 2.430 6.269 ( -2.723 0.288 0.123) 2.741 6.381 ( 0.651 0.009 0.161) 0.670 6.391 ( -0.014 0.149 -0.392) 0.420 6.413 ( 0.010 -0.138 -0.240) 0.277 6.417 ( -0.184 -0.161 0.349) 0.426 6.734 ( 0.885 -0.643 0.584) 1.240 6.747 ( 0.581 -0.954 -0.530) 1.237 6.796 ( -0.661 0.069 0.229) 0.703 6.812 ( -1.265 -0.447 -0.331) 1.382 6.898 ( 0.838 0.177 -0.815) 1.183 6.904 ( 0.317 -0.013 0.820) 0.879 7.113 ( 0.017 0.457 -0.406) 0.612 7.115 ( -0.195 0.495 0.539) 0.757 7.252 ( -0.049 -0.552 0.239) 0.604 7.253 ( -0.042 -0.529 -0.204) 0.569 7.448 ( 0.076 -0.103 -0.162) 0.206 7.461 ( -1.013 0.155 -0.393) 1.097 7.491 ( 1.312 -0.567 0.430) 1.493 7.507 ( 0.179 -0.364 0.271) 0.488 7.554 ( -0.189 1.130 -0.893) 1.453 7.559 ( -0.456 1.059 0.642) 1.319======================= Grid point 82 (39/42) =======================q-point: ( 0.00 0.40 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 36Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.414 ( -0.494 -0.105 -2.798) 2.843 0.414 ( 0.494 -0.105 2.798) 2.843 0.778 ( -7.938 -1.502 -9.007) 12.100 0.778 ( 7.938 -1.502 9.007) 12.100 0.852 ( -3.181 4.257 -2.389) 5.826 0.852 ( 3.181 4.257 2.389) 5.826 0.955 ( -5.921 -0.778 -2.405) 6.438 0.955 ( 5.921 -0.778 2.405) 6.438 1.064 ( 0.137 0.713 -2.062) 2.186 1.064 ( -0.137 0.713 2.062) 2.186 1.166 ( 0.911 0.927 -7.505) 7.617 1.166 ( -0.911 0.927 7.505) 7.617 1.250 ( -0.299 0.356 -1.609) 1.674 1.250 ( 0.299 0.356 1.609) 1.674 1.302 ( 2.743 -0.439 -2.521) 3.751 1.302 ( -2.743 -0.439 2.521) 3.751 1.347 ( 2.196 -1.443 -1.385) 2.970 1.347 ( -2.196 -1.443 1.385) 2.970 1.455 ( 1.580 1.896 -2.254) 3.342 1.455 ( -1.580 1.896 2.254) 3.343 1.502 ( -0.677 0.961 -2.830) 3.065 1.502 ( 0.677 0.961 2.830) 3.065 1.646 ( -1.029 -1.055 -2.374) 2.794 1.646 ( 1.029 -1.055 2.374) 2.794 1.708 ( 1.772 -1.651 -1.068) 2.647 1.708 ( -1.772 -1.651 1.068) 2.647 1.809 ( -3.651 -1.682 -0.908) 4.121 1.809 ( 3.651 -1.682 0.908) 4.121 1.983 ( 3.201 -1.023 -4.060) 5.270 1.983 ( -3.201 -1.023 4.060) 5.270 2.061 ( 0.838 1.493 -3.500) 3.896 2.061 ( -0.838 1.493 3.500) 3.896 2.181 ( -2.823 -3.027 -2.913) 5.061 2.181 ( 2.823 -3.027 2.913) 5.061 2.229 ( -0.302 -0.092 -2.978) 2.995 2.229 ( 0.302 -0.092 2.978) 2.995 2.322 ( -1.588 -0.847 -3.064) 3.554 2.322 ( 1.588 -0.847 3.064) 3.554 2.453 ( -0.013 -0.644 -1.120) 1.292 2.453 ( 0.013 -0.644 1.120) 1.292 2.560 ( -1.837 -0.414 -1.791) 2.599 2.560 ( 1.837 -0.414 1.791) 2.599 2.672 ( 0.978 1.254 -1.476) 2.169 2.672 ( -0.978 1.254 1.476) 2.169 2.750 ( -2.579 -1.125 0.749) 2.912 2.750 ( 2.579 -1.125 -0.749) 2.912 2.852 ( -1.061 -1.560 -4.908) 5.258 2.852 ( 1.061 -1.560 4.908) 5.258 2.990 ( -0.005 1.017 -3.572) 3.714 2.990 ( 0.005 1.017 3.572) 3.714 3.214 ( 2.990 0.491 -3.630) 4.728 3.214 ( -2.990 0.491 3.630) 4.728 3.347 ( -0.260 0.204 -1.987) 2.014 3.347 ( 0.260 0.204 1.987) 2.014 3.408 ( -3.670 -1.638 -5.929) 7.163 3.408 ( 3.670 -1.638 5.929) 7.163 3.536 ( -1.411 0.015 -2.726) 3.069 3.536 ( 1.411 0.015 2.726) 3.069 3.574 ( 1.281 0.283 -2.130) 2.502 3.574 ( -1.281 0.283 2.130) 2.502 3.683 ( 1.853 0.992 -1.868) 2.812 3.683 ( -1.853 0.992 1.868) 2.812 3.780 ( 0.819 -0.514 -2.915) 3.072 3.780 ( -0.819 -0.514 2.915) 3.072 3.904 ( -0.815 0.830 -3.551) 3.737 3.904 ( 0.815 0.830 3.551) 3.737 4.035 ( 0.337 0.867 -1.467) 1.737 4.035 ( -0.337 0.867 1.467) 1.737 4.126 ( -0.333 1.495 -2.302) 2.764 4.126 ( 0.333 1.495 2.302) 2.764 4.201 ( -1.178 -2.016 -2.474) 3.402 4.201 ( 1.178 -2.016 2.474) 3.402 4.377 ( 0.590 -0.172 -1.744) 1.850 4.377 ( -0.590 -0.172 1.744) 1.850 5.247 ( 0.113 0.020 -1.522) 1.526 5.247 ( -0.113 0.020 1.522) 1.526 5.697 ( 0.038 0.116 -1.446) 1.451 5.697 ( -0.038 0.116 1.446) 1.451 6.176 ( 0.250 -0.097 -1.046) 1.079 6.176 ( -0.250 -0.097 1.046) 1.079 6.302 ( -1.153 0.254 0.136) 1.189 6.302 ( 1.153 0.254 -0.136) 1.189 6.379 ( -0.820 0.038 -0.197) 0.844 6.379 ( 0.820 0.038 0.197) 0.844 6.413 ( 0.014 -0.170 -0.676) 0.697 6.413 ( -0.014 -0.170 0.676) 0.697 6.716 ( 0.338 -0.436 -1.734) 1.820 6.716 ( -0.338 -0.436 1.734) 1.820 6.819 ( 0.099 -0.062 -1.001) 1.008 6.819 ( -0.099 -0.062 1.001) 1.008 6.889 ( -0.069 -0.007 -0.924) 0.927 6.889 ( 0.069 -0.007 0.924) 0.927 7.125 ( -0.060 0.370 -0.710) 0.803 7.125 ( 0.060 0.370 0.710) 0.803 7.243 ( 0.079 -0.379 -0.267) 0.470 7.243 ( -0.079 -0.379 0.267) 0.470 7.453 ( -0.050 -0.293 -0.681) 0.743 7.453 ( 0.050 -0.293 0.681) 0.743 7.491 ( -0.798 0.110 -1.293) 1.523 7.491 ( 0.798 0.110 1.293) 1.523 7.577 ( -0.103 0.558 -0.784) 0.968 7.577 ( 0.103 0.558 0.784) 0.968======================= Grid point 84 (40/42) =======================q-point: ( 0.33 0.40 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 62Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.360 ( -1.387 0.346 -1.736) 2.249 0.413 ( -3.331 -0.849 1.327) 3.685 0.560 ( -3.981 -0.787 -9.927) 10.725 0.636 ( -8.668 0.997 -2.821) 9.170 0.888 ( 0.911 3.084 1.608) 3.595 0.902 ( 1.221 0.013 -1.798) 2.173 0.937 ( 2.046 0.794 -2.876) 3.618 0.985 ( -0.874 0.111 2.365) 2.524 1.102 ( 0.147 1.784 3.698) 4.109 1.118 ( -1.425 1.324 4.119) 4.555 1.168 ( 1.990 1.797 -1.826) 3.244 1.217 ( -2.676 0.375 1.678) 3.181 1.224 ( 2.328 0.750 -0.458) 2.488 1.247 ( -0.361 1.851 1.151) 2.209 1.291 ( 4.948 -2.868 1.768) 5.986 1.319 ( -0.280 -1.188 1.123) 1.658 1.344 ( 2.147 -0.629 -0.525) 2.298 1.359 ( -1.946 1.031 1.511) 2.671 1.442 ( -0.351 0.372 2.122) 2.183 1.476 ( -2.033 -0.414 -7.094) 7.391 1.534 ( 3.862 0.483 -0.166) 3.895 1.566 ( 1.821 0.780 1.652) 2.579 1.624 ( 1.293 -3.088 -0.144) 3.351 1.659 ( -0.753 -2.237 -0.744) 2.475 1.699 ( -1.317 -2.609 3.653) 4.678 1.722 ( -0.716 -1.976 -1.411) 2.532 1.805 ( 6.554 1.537 5.006) 8.389 1.899 ( 1.019 -0.443 4.338) 4.478 1.957 ( 0.861 0.587 -1.527) 1.848 2.010 ( -1.394 -2.051 -3.369) 4.183 2.027 ( -2.209 0.620 -5.943) 6.371 2.068 ( 0.613 2.545 -0.365) 2.643 2.107 ( -1.892 -0.859 -4.576) 5.026 2.144 ( -3.142 -0.794 0.892) 3.361 2.195 ( -1.965 0.645 0.958) 2.279 2.223 ( -2.451 -1.774 1.552) 3.400 2.294 ( 1.691 -3.097 -4.487) 5.708 2.325 ( -1.440 -3.970 5.975) 7.317 2.429 ( -0.194 -0.741 -1.669) 1.836 2.447 ( -0.928 -0.738 2.412) 2.687 2.573 ( 2.333 0.537 -0.789) 2.521 2.619 ( -1.565 0.568 3.410) 3.795 2.677 ( 3.625 0.415 -0.889) 3.755 2.704 ( 0.418 -0.863 0.189) 0.978 2.716 ( 2.110 1.733 -1.670) 3.201 2.757 ( -2.651 -0.340 -2.447) 3.623 2.812 ( -0.394 -1.125 0.010) 1.192 2.844 ( -2.228 -2.701 -0.842) 3.601 3.014 ( 2.000 1.537 -4.372) 5.048 3.025 ( 0.750 2.419 6.418) 6.900 3.184 ( 0.261 -2.251 3.815) 4.438 3.235 ( -2.215 -1.208 -4.597) 5.244 3.350 ( 2.021 0.613 -1.465) 2.571 3.369 ( 0.985 0.271 -0.683) 1.229 3.388 ( 2.591 1.267 0.798) 2.993 3.462 ( -2.584 -0.367 1.364) 2.945 3.509 ( 1.937 -0.490 -0.843) 2.169 3.540 ( -1.537 -0.371 3.360) 3.713 3.556 ( -0.042 0.292 1.160) 1.197 3.576 ( -1.058 0.848 -0.703) 1.528 3.656 ( 0.539 0.223 1.206) 1.339 3.695 ( -1.756 -1.547 -3.946) 4.588 3.758 ( -0.347 -0.119 3.365) 3.385 3.769 ( -0.744 0.543 -2.625) 2.782 3.909 ( 1.600 1.784 -3.934) 4.606 3.929 ( -0.098 0.226 4.016) 4.024 4.028 ( 0.086 0.924 0.995) 1.361 4.038 ( -0.273 0.843 -0.923) 1.280 4.117 ( 0.568 -0.082 0.019) 0.574 4.138 ( -0.726 -0.223 -0.752) 1.069 4.209 ( 2.478 -0.576 -1.376) 2.892 4.240 ( 0.644 -0.516 2.361) 2.501 4.349 ( -1.190 -0.421 1.208) 1.747 4.363 ( -1.336 -0.064 -1.626) 2.105 5.247 ( 0.012 0.018 -0.102) 0.104 5.248 ( -0.012 0.021 0.107) 0.110 5.698 ( 0.260 0.124 -1.451) 1.480 5.700 ( -0.025 0.150 1.443) 1.451 6.196 ( 1.734 -0.132 0.727) 1.885 6.206 ( 2.274 -0.017 -0.684) 2.375 6.252 ( -2.481 0.026 -0.221) 2.491 6.275 ( -2.975 0.257 0.279) 3.000 6.381 ( 0.947 0.007 0.001) 0.947 6.395 ( -0.014 0.185 -0.359) 0.404 6.410 ( 0.015 -0.099 -0.382) 0.394 6.413 ( -0.154 -0.160 0.644) 0.682 6.724 ( 0.714 -0.356 1.354) 1.571 6.731 ( 0.637 -0.558 -1.355) 1.598 6.799 ( -0.765 0.136 -0.031) 0.777 6.805 ( -1.045 -0.233 -0.082) 1.074 6.901 ( 0.719 0.091 -0.601) 0.941 6.903 ( 0.473 -0.053 0.671) 0.823 7.121 ( -0.083 0.306 -0.439) 0.542 7.123 ( -0.290 0.259 0.482) 0.620 7.242 ( -0.014 -0.367 0.333) 0.496 7.243 ( -0.028 -0.344 -0.282) 0.445 7.447 ( 0.337 0.075 0.668) 0.751 7.466 ( -1.012 0.241 -1.170) 1.566 7.480 ( 1.335 -0.480 -0.164) 1.428 7.500 ( -0.319 -0.278 0.760) 0.870 7.573 ( -0.003 0.667 -0.756) 1.008 7.576 ( -0.272 0.644 0.608) 0.927======================= Grid point 86 (41/42) =======================q-point: ( 0.00 -0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 21Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.419 ( -0.992 0.000 -2.727) 2.902 0.419 ( 0.992 0.000 2.727) 2.902 0.759 ( -7.070 0.000 -7.061) 9.992 0.759 ( 7.070 0.000 7.061) 9.993 0.895 ( -0.655 0.000 0.075) 0.659 0.895 ( 0.655 0.000 -0.075) 0.659 0.947 ( -9.292 0.000 -7.479) 11.927 0.947 ( 9.292 0.000 7.479) 11.927 1.074 ( -2.514 0.000 -0.121) 2.517 1.074 ( 2.514 0.000 0.121) 2.517 1.172 ( 1.938 0.000 -9.877) 10.066 1.172 ( -1.938 0.000 9.877) 10.066 1.246 ( 0.253 0.000 -0.737) 0.779 1.246 ( -0.253 0.000 0.737) 0.779 1.299 ( -2.113 0.000 0.506) 2.173 1.299 ( 2.113 0.000 -0.506) 2.173 1.337 ( 2.981 0.000 -1.099) 3.177 1.337 ( -2.981 0.000 1.100) 3.177 1.474 ( 0.715 0.000 -0.583) 0.923 1.474 ( -0.715 0.000 0.583) 0.923 1.527 ( 2.325 -0.000 -3.807) 4.461 1.527 ( -2.326 0.000 3.807) 4.461 1.616 ( 0.458 0.000 -1.336) 1.412 1.616 ( -0.457 0.000 1.336) 1.412 1.700 ( 0.515 0.000 -2.950) 2.994 1.700 ( -0.515 0.000 2.950) 2.994 1.790 ( -4.901 0.000 -0.472) 4.924 1.790 ( 4.901 0.000 0.472) 4.924 1.963 ( 3.349 0.000 -4.461) 5.579 1.963 ( -3.349 0.000 4.461) 5.579 2.116 ( 0.443 0.000 -1.484) 1.549 2.116 ( -0.443 0.000 1.484) 1.549 2.124 ( 2.596 0.000 -1.918) 3.228 2.124 ( -2.596 -0.000 1.918) 3.228 2.232 ( 0.786 0.000 -2.706) 2.818 2.232 ( -0.786 0.000 2.706) 2.818 2.294 ( 0.669 0.000 -1.986) 2.096 2.294 ( -0.669 0.000 1.986) 2.096 2.461 ( -0.398 0.000 -0.589) 0.711 2.461 ( 0.398 0.000 0.589) 0.711 2.547 ( 0.647 0.000 -1.869) 1.978 2.547 ( -0.647 0.000 1.869) 1.978 2.686 ( 1.268 0.000 -2.004) 2.371 2.686 ( -1.268 0.000 2.004) 2.371 2.747 ( -4.637 0.000 1.206) 4.791 2.747 ( 4.637 0.000 -1.206) 4.791 2.822 ( 0.287 0.000 -4.765) 4.773 2.822 ( -0.287 0.000 4.765) 4.773 3.002 ( -0.934 0.000 -4.353) 4.452 3.002 ( 0.934 0.000 4.353) 4.452 3.227 ( 3.732 0.000 -5.200) 6.400 3.227 ( -3.732 0.000 5.200) 6.400 3.355 ( 0.302 0.000 -5.921) 5.928 3.355 ( -0.302 0.000 5.921) 5.929 3.387 ( -1.037 0.000 -4.109) 4.237 3.387 ( 1.037 0.000 4.109) 4.238 3.527 ( -0.966 0.000 -3.421) 3.555 3.527 ( 0.966 0.000 3.421) 3.555 3.583 ( 0.307 0.000 -0.972) 1.019 3.583 ( -0.307 0.000 0.972) 1.019 3.690 ( 1.388 0.000 -3.119) 3.413 3.690 ( -1.388 0.000 3.119) 3.413 3.772 ( 1.362 0.000 -2.996) 3.291 3.772 ( -1.362 0.000 2.996) 3.291 3.920 ( 0.146 0.000 -3.078) 3.081 3.920 ( -0.146 0.000 3.078) 3.081 4.039 ( 0.108 0.000 -1.906) 1.909 4.039 ( -0.108 0.000 1.906) 1.910 4.157 ( -0.991 -0.000 -6.653) 6.727 4.157 ( 0.991 0.000 6.653) 6.727 4.166 ( 0.329 -0.000 -1.598) 1.632 4.166 ( -0.329 0.000 1.598) 1.632 4.375 ( 0.766 0.000 -1.651) 1.820 4.375 ( -0.766 0.000 1.651) 1.820 5.248 ( 0.123 0.000 -1.735) 1.739 5.248 ( -0.123 0.000 1.735) 1.739 5.698 ( 0.023 0.000 -1.444) 1.444 5.698 ( -0.023 0.000 1.444) 1.444 6.175 ( 0.314 0.000 -1.071) 1.116 6.175 ( -0.314 0.000 1.071) 1.116 6.305 ( -1.400 0.000 0.160) 1.409 6.305 ( 1.400 0.000 -0.160) 1.409 6.380 ( -1.314 0.000 -0.016) 1.314 6.380 ( 1.314 0.000 0.016) 1.314 6.411 ( 0.010 0.000 -0.739) 0.739 6.411 ( -0.010 0.000 0.739) 0.739 6.712 ( 0.378 0.000 -1.882) 1.919 6.712 ( -0.378 0.000 1.882) 1.919 6.819 ( 0.026 0.000 -1.097) 1.097 6.819 ( -0.026 0.000 1.097) 1.097 6.889 ( 0.026 0.000 -0.802) 0.802 6.889 ( -0.026 0.000 0.802) 0.802 7.129 ( -0.039 0.000 -0.687) 0.688 7.129 ( 0.039 0.000 0.687) 0.688 7.239 ( 0.097 0.000 -0.338) 0.351 7.239 ( -0.097 0.000 0.338) 0.351 7.449 ( 0.693 0.000 -0.638) 0.943 7.449 ( -0.693 0.000 0.639) 0.943 7.492 ( -0.677 0.000 -1.479) 1.627 7.492 ( 0.677 0.000 1.479) 1.627 7.583 ( -0.107 0.000 -0.770) 0.777 7.583 ( 0.107 0.000 0.770) 0.777======================= Grid point 90 (42/42) =======================q-point: ( 0.33 -0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 36Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.363 ( -1.937 0.000 -2.887) 3.477 0.403 ( -3.497 0.000 2.561) 4.334 0.554 ( -3.738 0.000 -9.076) 9.815 0.639 ( -9.031 0.000 -4.824) 10.238 0.902 ( 1.281 0.000 0.562) 1.399 0.915 ( 0.416 0.000 2.663) 2.695 0.944 ( 3.963 0.000 -6.272) 7.419 1.000 ( -2.148 0.000 2.413) 3.230 1.124 ( -0.197 -0.000 2.610) 2.618 1.128 ( -1.219 0.000 6.044) 6.166 1.186 ( 0.939 0.000 -4.138) 4.243 1.216 ( 2.788 0.000 4.339) 5.157 1.235 ( 2.163 0.000 5.832) 6.221 1.262 ( 0.505 -0.000 -0.928) 1.056 1.264 ( -0.548 0.001 1.370) 1.475 1.308 ( 3.252 0.000 -1.956) 3.795 1.337 ( 0.350 0.000 -2.562) 2.586 1.366 ( -0.984 0.000 1.814) 2.064 1.463 ( -2.074 0.000 4.664) 5.104 1.473 ( -2.246 0.000 -7.826) 8.142 1.544 ( 4.308 0.000 -1.984) 4.743 1.574 ( 2.187 -0.000 2.601) 3.398 1.595 ( -0.841 -0.000 -0.924) 1.250 1.611 ( -0.685 0.000 1.271) 1.444 1.663 ( -1.052 0.000 2.118) 2.365 1.705 ( -0.830 0.000 -1.315) 1.555 1.839 ( 7.669 0.000 4.967) 9.137 1.879 ( 0.730 0.000 7.119) 7.156 1.968 ( -3.418 0.000 -6.182) 7.064 1.982 ( 5.645 0.000 -0.214) 5.649 2.061 ( -5.189 0.000 -7.952) 9.496 2.072 ( 0.569 0.000 -6.307) 6.333 2.117 ( -0.191 -0.000 -2.011) 2.020 2.136 ( -2.014 0.000 0.029) 2.014 2.187 ( -2.234 0.000 4.062) 4.635 2.203 ( -3.028 0.000 3.466) 4.603 2.264 ( -0.213 0.000 -1.054) 1.075 2.281 ( -1.290 0.000 1.130) 1.715 2.423 ( -0.606 -0.000 -1.591) 1.703 2.429 ( -0.782 0.000 3.440) 3.527 2.600 ( 1.946 -0.000 0.443) 1.995 2.612 ( 1.480 0.000 1.607) 2.185 2.680 ( 0.210 0.000 0.104) 0.234 2.686 ( 0.687 0.000 0.377) 0.784 2.738 ( 1.802 0.000 -1.313) 2.230 2.770 ( -2.512 0.000 -4.023) 4.743 2.784 ( -0.677 0.000 -1.378) 1.536 2.814 ( -0.282 0.000 2.059) 2.078 3.035 ( 3.442 0.000 -4.682) 5.811 3.054 ( 1.221 0.000 5.894) 6.019 3.163 ( -1.656 0.000 5.170) 5.429 3.217 ( -4.026 0.000 -6.618) 7.746 3.359 ( 3.152 0.000 -3.822) 4.955 3.362 ( 1.841 0.000 1.746) 2.537 3.429 ( 1.141 -0.000 -0.145) 1.150 3.440 ( 0.085 0.000 5.704) 5.704 3.506 ( 1.021 0.000 -4.517) 4.631 3.530 ( -0.893 0.000 5.168) 5.244 3.575 ( -0.569 0.001 -1.340) 1.456 3.576 ( -1.118 -0.001 0.887) 1.428 3.662 ( -0.509 0.000 0.421) 0.660 3.674 ( -1.407 0.000 -3.338) 3.623 3.758 ( -0.052 0.000 3.793) 3.793 3.774 ( -0.696 0.000 -2.284) 2.388 3.927 ( 0.762 0.000 -4.257) 4.325 3.928 ( 0.102 -0.000 3.518) 3.519 4.044 ( 0.418 0.001 -1.448) 1.507 4.045 ( 0.118 0.000 2.108) 2.111 4.115 ( -0.146 0.000 -6.726) 6.727 4.127 ( -1.757 0.000 5.420) 5.698 4.212 ( 2.495 0.000 -2.166) 3.304 4.229 ( 1.616 0.000 3.905) 4.226 4.346 ( -1.098 0.000 0.841) 1.383 4.363 ( -1.408 0.000 -1.688) 2.198 5.248 ( 0.136 -0.000 -1.746) 1.751 5.248 ( -0.130 0.000 1.742) 1.747 5.700 ( 0.282 0.000 -1.459) 1.486 5.701 ( -0.019 0.000 1.451) 1.451 6.194 ( 1.723 0.000 0.841) 1.917 6.205 ( 2.294 0.000 -0.770) 2.420 6.253 ( -2.486 0.000 -0.299) 2.504 6.278 ( -3.089 0.000 0.338) 3.107 6.381 ( 1.062 0.000 -0.104) 1.067 6.397 ( -0.095 0.000 -0.312) 0.327 6.409 ( 0.068 0.000 -0.857) 0.860 6.411 ( -0.124 0.000 1.182) 1.189 6.721 ( 0.620 0.000 2.191) 2.277 6.726 ( 0.727 0.000 -2.211) 2.327 6.801 ( -0.803 0.000 -1.053) 1.324 6.802 ( -0.991 0.000 0.936) 1.363 6.902 ( 0.663 0.000 -0.541) 0.856 6.902 ( 0.541 0.000 0.654) 0.848 7.124 ( -0.149 0.000 -0.582) 0.601 7.126 ( -0.324 -0.000 0.554) 0.642 7.238 ( 0.002 0.000 0.396) 0.396 7.240 ( -0.016 0.000 -0.330) 0.331 7.449 ( 0.456 0.000 1.127) 1.215 7.469 ( -0.938 0.000 -1.598) 1.853 7.474 ( 1.312 0.000 -0.406) 1.373 7.497 ( -0.530 0.000 0.965) 1.101 7.580 ( 0.048 0.000 -0.723) 0.725 7.583 ( -0.217 0.000 0.614) 0.651=================== 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 3/12240 10.0 1.420 0.689 1.937 0.000 0.101 0.000 3/12240 20.0 0.607 0.288 0.793 0.000 0.072 0.000 3/12240 30.0 0.405 0.194 0.529 0.000 0.049 0.000 3/12240 40.0 0.309 0.150 0.405 0.000 0.037 0.000 3/12240 50.0 0.251 0.123 0.330 0.000 0.029 0.000 3/12240 60.0 0.211 0.104 0.280 0.000 0.024 0.000 3/12240 70.0 0.183 0.090 0.243 0.000 0.021 0.000 3/12240 80.0 0.161 0.080 0.214 0.000 0.018 0.000 3/12240 90.0 0.145 0.072 0.192 0.000 0.016 0.000 3/12240 100.0 0.131 0.065 0.174 0.000 0.014 0.000 3/12240 110.0 0.120 0.059 0.159 0.000 0.013 0.000 3/12240 120.0 0.110 0.055 0.146 0.000 0.012 0.000 3/12240 130.0 0.102 0.051 0.135 0.000 0.011 0.000 3/12240 140.0 0.095 0.047 0.126 0.000 0.010 0.000 3/12240 150.0 0.089 0.044 0.118 0.000 0.009 0.000 3/12240 160.0 0.084 0.041 0.111 0.000 0.009 0.000 3/12240 170.0 0.079 0.039 0.105 0.000 0.008 0.000 3/12240 180.0 0.075 0.037 0.099 0.000 0.008 0.000 3/12240 190.0 0.071 0.035 0.094 0.000 0.007 0.000 3/12240 200.0 0.068 0.033 0.089 0.000 0.007 0.000 3/12240 210.0 0.064 0.032 0.085 0.000 0.007 0.000 3/12240 220.0 0.062 0.030 0.081 0.000 0.006 0.000 3/12240 230.0 0.059 0.029 0.078 0.000 0.006 0.000 3/12240 240.0 0.057 0.028 0.075 0.000 0.006 0.000 3/12240 250.0 0.054 0.027 0.072 0.000 0.006 0.000 3/12240 260.0 0.052 0.026 0.069 0.000 0.005 0.000 3/12240 270.0 0.051 0.025 0.067 0.000 0.005 0.000 3/12240 280.0 0.049 0.024 0.064 0.000 0.005 0.000 3/12240 290.0 0.047 0.023 0.062 0.000 0.005 0.000 3/12240 300.0 0.046 0.022 0.060 0.000 0.005 0.000 3/12240 310.0 0.044 0.022 0.058 0.000 0.005 0.000 3/12240 320.0 0.043 0.021 0.056 0.000 0.004 0.000 3/12240 330.0 0.042 0.020 0.055 0.000 0.004 0.000 3/12240 340.0 0.040 0.020 0.053 0.000 0.004 0.000 3/12240 350.0 0.039 0.019 0.052 0.000 0.004 0.000 3/12240 360.0 0.038 0.019 0.050 0.000 0.004 0.000 3/12240 370.0 0.037 0.018 0.049 0.000 0.004 0.000 3/12240 380.0 0.036 0.018 0.048 0.000 0.004 0.000 3/12240 390.0 0.035 0.017 0.047 0.000 0.004 0.000 3/12240 400.0 0.034 0.017 0.045 0.000 0.004 0.000 3/12240 410.0 0.034 0.016 0.044 0.000 0.003 0.000 3/12240 420.0 0.033 0.016 0.043 0.000 0.003 0.000 3/12240 430.0 0.032 0.016 0.042 0.000 0.003 0.000 3/12240 440.0 0.031 0.015 0.041 0.000 0.003 0.000 3/12240 450.0 0.031 0.015 0.040 0.000 0.003 0.000 3/12240 460.0 0.030 0.015 0.040 0.000 0.003 0.000 3/12240 470.0 0.029 0.014 0.039 0.000 0.003 0.000 3/12240 480.0 0.029 0.014 0.038 0.000 0.003 0.000 3/12240 490.0 0.028 0.014 0.037 0.000 0.003 0.000 3/12240 500.0 0.028 0.014 0.036 0.000 0.003 0.000 3/12240 510.0 0.027 0.013 0.036 0.000 0.003 0.000 3/12240 520.0 0.027 0.013 0.035 0.000 0.003 0.000 3/12240 530.0 0.026 0.013 0.034 0.000 0.003 0.000 3/12240 540.0 0.026 0.013 0.034 0.000 0.003 0.000 3/12240 550.0 0.025 0.012 0.033 0.000 0.003 0.000 3/12240 560.0 0.025 0.012 0.033 0.000 0.003 0.000 3/12240 570.0 0.024 0.012 0.032 0.000 0.003 0.000 3/12240 580.0 0.024 0.012 0.031 0.000 0.002 0.000 3/12240 590.0 0.024 0.012 0.031 0.000 0.002 0.000 3/12240 600.0 0.023 0.011 0.030 0.000 0.002 0.000 3/12240 610.0 0.023 0.011 0.030 0.000 0.002 0.000 3/12240 620.0 0.022 0.011 0.029 0.000 0.002 0.000 3/12240 630.0 0.022 0.011 0.029 0.000 0.002 0.000 3/12240 640.0 0.022 0.011 0.029 0.000 0.002 0.000 3/12240 650.0 0.021 0.010 0.028 0.000 0.002 0.000 3/12240 660.0 0.021 0.010 0.028 0.000 0.002 0.000 3/12240 670.0 0.021 0.010 0.027 0.000 0.002 0.000 3/12240 680.0 0.020 0.010 0.027 0.000 0.002 0.000 3/12240 690.0 0.020 0.010 0.027 0.000 0.002 0.000 3/12240 700.0 0.020 0.010 0.026 0.000 0.002 0.000 3/12240 710.0 0.020 0.010 0.026 0.000 0.002 0.000 3/12240 720.0 0.019 0.009 0.025 0.000 0.002 0.000 3/12240 730.0 0.019 0.009 0.025 0.000 0.002 0.000 3/12240 740.0 0.019 0.009 0.025 0.000 0.002 0.000 3/12240 750.0 0.019 0.009 0.024 0.000 0.002 0.000 3/12240 760.0 0.018 0.009 0.024 0.000 0.002 0.000 3/12240 770.0 0.018 0.009 0.024 0.000 0.002 0.000 3/12240 780.0 0.018 0.009 0.023 0.000 0.002 0.000 3/12240 790.0 0.018 0.009 0.023 0.000 0.002 0.000 3/12240 800.0 0.017 0.009 0.023 0.000 0.002 0.000 3/12240 810.0 0.017 0.008 0.023 0.000 0.002 0.000 3/12240 820.0 0.017 0.008 0.022 0.000 0.002 0.000 3/12240 830.0 0.017 0.008 0.022 0.000 0.002 0.000 3/12240 840.0 0.017 0.008 0.022 0.000 0.002 0.000 3/12240 850.0 0.016 0.008 0.022 0.000 0.002 0.000 3/12240 860.0 0.016 0.008 0.021 0.000 0.002 0.000 3/12240 870.0 0.016 0.008 0.021 0.000 0.002 0.000 3/12240 880.0 0.016 0.008 0.021 0.000 0.002 0.000 3/12240 890.0 0.016 0.008 0.021 0.000 0.002 0.000 3/12240 900.0 0.016 0.008 0.020 0.000 0.002 0.000 3/12240 910.0 0.015 0.007 0.020 0.000 0.002 0.000 3/12240 920.0 0.015 0.007 0.020 0.000 0.002 0.000 3/12240 930.0 0.015 0.007 0.020 0.000 0.002 0.000 3/12240 940.0 0.015 0.007 0.020 0.000 0.002 0.000 3/12240 950.0 0.015 0.007 0.019 0.000 0.002 0.000 3/12240 960.0 0.015 0.007 0.019 0.000 0.001 0.000 3/12240 970.0 0.014 0.007 0.019 0.000 0.001 0.000 3/12240 980.0 0.014 0.007 0.019 0.000 0.001 0.000 3/12240 990.0 0.014 0.007 0.019 0.000 0.001 0.000 3/12240 1000.0 0.014 0.007 0.018 0.000 0.001 0.000 3/12240Thermal conductivity related properties were written into "kappa-m3104.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 07:32:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|