# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/7132b85c-3b57-418e-843e-a054b57f56e3/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 KAlP2O7 / P2_1/c (14) / materials id 17031](https://mdr.nims.go.jp/datasets/41d66537-4801-4d12-b5d6-b728bc6227b4) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 02:49:49]-------------------------Compiled with OpenMP support (max 128 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: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/c (14)Number of symmetry operations in supercell: 8------------------------------ primitive cell ------------------------------Lattice vectors: a 7.367723920008077 0.000000000000000 0.000000000000000 b 0.000000000000000 9.692586409999999 0.000000000000000 c -2.362304451260004 0.000000000000000 7.745053078068658Atomic positions (fractional): *1 O 0.55592466647683 0.71652489102811 0.25421635286302 15.999 2 O 0.44407533352317 0.21652489102811 0.24578364713698 15.999 3 O 0.44407533352317 0.28347510897189 0.74578364713698 15.999 4 O 0.55592466647683 0.78347510897189 0.75421635286302 15.999 *5 O 0.01914405317161 0.00291402916078 0.27666153049181 15.999 6 O 0.98085594682839 0.50291402916078 0.22333846950819 15.999 7 O 0.98085594682839 0.99708597083922 0.72333846950819 15.999 8 O 0.01914405317161 0.49708597083922 0.77666153049181 15.999 *9 O 0.67889538351888 0.89537279206679 0.49619899735848 15.999 10 O 0.32110461648112 0.39537279206679 0.00380100264152 15.999 11 O 0.32110461648112 0.10462720793321 0.50380100264152 15.999 12 O 0.67889538351888 0.60462720793321 0.99619899735848 15.999 *13 O 0.85090410088107 0.90894562423822 0.97827379057211 15.999 14 O 0.14909589911893 0.40894562423822 0.52172620942789 15.999 15 O 0.14909589911893 0.09105437576178 0.02172620942789 15.999 16 O 0.85090410088107 0.59105437576178 0.47827379057211 15.999 *17 O 0.67163000826299 0.95256401098187 0.19364189607923 15.999 18 O 0.32836999173701 0.45256401098187 0.30635810392077 15.999 19 O 0.32836999173701 0.04743598901813 0.80635810392077 15.999 20 O 0.67163000826299 0.54743598901813 0.69364189607923 15.999 *21 O 0.91364365188697 0.74074659690415 0.74506610459213 15.999 22 O 0.08635634811303 0.24074659690415 0.75493389540787 15.999 23 O 0.08635634811303 0.25925340309585 0.25493389540787 15.999 24 O 0.91364365188697 0.75925340309585 0.24506610459213 15.999 *25 O 0.36454657535604 0.57185066065076 0.76325420336850 15.999 26 O 0.63545342464396 0.07185066065076 0.73674579663150 15.999 27 O 0.63545342464396 0.42814933934924 0.23674579663150 15.999 28 O 0.36454657535604 0.92814933934924 0.26325420336849 15.999 *29 Al 0.76229706706150 0.90017248827477 0.73956504505413 26.982 30 Al 0.23770293293850 0.40017248827477 0.76043495494587 26.982 31 Al 0.23770293293850 0.09982751172523 0.26043495494587 26.982 32 Al 0.76229706706150 0.59982751172523 0.23956504505413 26.982 *33 P 0.87171182529647 0.59624082803592 0.66768577992262 30.974 34 P 0.12828817470353 0.09624082803592 0.83231422007738 30.974 35 P 0.12828817470353 0.40375917196408 0.33231422007738 30.974 36 P 0.87171182529647 0.90375917196408 0.16768577992262 30.974 *37 P 0.56392731900728 0.86768564553075 0.31113782836714 30.974 38 P 0.43607268099272 0.36768564553075 0.18886217163286 30.974 39 P 0.43607268099272 0.13231435446925 0.68886217163286 30.974 40 P 0.56392731900728 0.63231435446925 0.81113782836714 30.974 *41 K 0.82063795886683 0.18122578753246 0.44335362746258 39.098 42 K 0.17936204113317 0.68122578753246 0.05664637253742 39.098 43 K 0.17936204113317 0.81877421246754 0.55664637253742 39.098 44 K 0.82063795886683 0.31877421246754 0.94335362746258 39.098-------------------------------- unit cell ---------------------------------Lattice vectors: a 7.367723920008077 0.000000000000000 0.000000000000000 b 0.000000000000000 9.692586409999999 0.000000000000000 c -2.362304451260004 0.000000000000000 7.745053078068658Atomic positions (fractional): *1 O 0.55592466647683 0.71652489102811 0.25421635286302 15.999 > 1 2 O 0.44407533352317 0.21652489102811 0.24578364713698 15.999 > 2 3 O 0.44407533352317 0.28347510897189 0.74578364713698 15.999 > 3 4 O 0.55592466647683 0.78347510897189 0.75421635286302 15.999 > 4 *5 O 0.01914405317161 0.00291402916078 0.27666153049181 15.999 > 5 6 O 0.98085594682839 0.50291402916078 0.22333846950819 15.999 > 6 7 O 0.98085594682839 0.99708597083922 0.72333846950819 15.999 > 7 8 O 0.01914405317161 0.49708597083922 0.77666153049181 15.999 > 8 *9 O 0.67889538351888 0.89537279206679 0.49619899735848 15.999 > 9 10 O 0.32110461648112 0.39537279206679 0.00380100264152 15.999 > 10 11 O 0.32110461648112 0.10462720793321 0.50380100264152 15.999 > 11 12 O 0.67889538351888 0.60462720793321 0.99619899735848 15.999 > 12 *13 O 0.85090410088107 0.90894562423822 0.97827379057211 15.999 > 13 14 O 0.14909589911893 0.40894562423822 0.52172620942789 15.999 > 14 15 O 0.14909589911893 0.09105437576178 0.02172620942789 15.999 > 15 16 O 0.85090410088107 0.59105437576178 0.47827379057211 15.999 > 16 *17 O 0.67163000826299 0.95256401098187 0.19364189607923 15.999 > 17 18 O 0.32836999173701 0.45256401098187 0.30635810392077 15.999 > 18 19 O 0.32836999173701 0.04743598901813 0.80635810392077 15.999 > 19 20 O 0.67163000826299 0.54743598901813 0.69364189607923 15.999 > 20 *21 O 0.91364365188697 0.74074659690415 0.74506610459213 15.999 > 21 22 O 0.08635634811303 0.24074659690415 0.75493389540787 15.999 > 22 23 O 0.08635634811303 0.25925340309585 0.25493389540787 15.999 > 23 24 O 0.91364365188697 0.75925340309585 0.24506610459213 15.999 > 24 *25 O 0.36454657535604 0.57185066065076 0.76325420336850 15.999 > 25 26 O 0.63545342464396 0.07185066065076 0.73674579663150 15.999 > 26 27 O 0.63545342464396 0.42814933934924 0.23674579663150 15.999 > 27 28 O 0.36454657535604 0.92814933934924 0.26325420336849 15.999 > 28 *29 Al 0.76229706706150 0.90017248827477 0.73956504505413 26.982 > 29 30 Al 0.23770293293850 0.40017248827477 0.76043495494587 26.982 > 30 31 Al 0.23770293293850 0.09982751172523 0.26043495494587 26.982 > 31 32 Al 0.76229706706150 0.59982751172523 0.23956504505413 26.982 > 32 *33 P 0.87171182529647 0.59624082803592 0.66768577992262 30.974 > 33 34 P 0.12828817470353 0.09624082803592 0.83231422007738 30.974 > 34 35 P 0.12828817470353 0.40375917196408 0.33231422007738 30.974 > 35 36 P 0.87171182529647 0.90375917196408 0.16768577992262 30.974 > 36 *37 P 0.56392731900728 0.86768564553075 0.31113782836714 30.974 > 37 38 P 0.43607268099272 0.36768564553075 0.18886217163286 30.974 > 38 39 P 0.43607268099272 0.13231435446925 0.68886217163286 30.974 > 39 40 P 0.56392731900728 0.63231435446925 0.81113782836714 30.974 > 40 *41 K 0.82063795886683 0.18122578753246 0.44335362746258 39.098 > 41 42 K 0.17936204113317 0.68122578753246 0.05664637253742 39.098 > 42 43 K 0.17936204113317 0.81877421246754 0.55664637253742 39.098 > 43 44 K 0.82063795886683 0.31877421246754 0.94335362746258 39.098 > 44-------------------------------- super cell --------------------------------Lattice vectors: a 14.735447840016153 0.000000000000000 0.000000000000000 b 0.000000000000000 9.692586409999999 0.000000000000000 c -2.362304451260004 0.000000000000000 7.745053078068658Atomic positions (fractional): *1 O 0.27796233323842 0.71652489102811 0.25421635286302 15.999 > 1 2 O 0.77796233323842 0.71652489102811 0.25421635286302 15.999 > 1 3 O 0.22203766676158 0.21652489102811 0.24578364713698 15.999 > 2 4 O 0.72203766676158 0.21652489102811 0.24578364713698 15.999 > 2 5 O 0.22203766676158 0.28347510897189 0.74578364713698 15.999 > 3 6 O 0.72203766676158 0.28347510897189 0.74578364713698 15.999 > 3 7 O 0.27796233323842 0.78347510897189 0.75421635286302 15.999 > 4 8 O 0.77796233323842 0.78347510897189 0.75421635286302 15.999 > 4 *9 O 0.00957202658580 0.00291402916078 0.27666153049181 15.999 > 5 10 O 0.50957202658580 0.00291402916078 0.27666153049181 15.999 > 5 11 O 0.49042797341420 0.50291402916078 0.22333846950819 15.999 > 6 12 O 0.99042797341420 0.50291402916078 0.22333846950819 15.999 > 6 13 O 0.49042797341420 0.99708597083922 0.72333846950819 15.999 > 7 14 O 0.99042797341420 0.99708597083922 0.72333846950819 15.999 > 7 15 O 0.00957202658580 0.49708597083922 0.77666153049181 15.999 > 8 16 O 0.50957202658580 0.49708597083922 0.77666153049181 15.999 > 8 *17 O 0.33944769175944 0.89537279206679 0.49619899735848 15.999 > 9 18 O 0.83944769175944 0.89537279206679 0.49619899735848 15.999 > 9 19 O 0.16055230824056 0.39537279206679 0.00380100264152 15.999 > 10 20 O 0.66055230824056 0.39537279206679 0.00380100264152 15.999 > 10 21 O 0.16055230824056 0.10462720793321 0.50380100264152 15.999 > 11 22 O 0.66055230824056 0.10462720793321 0.50380100264152 15.999 > 11 23 O 0.33944769175944 0.60462720793321 0.99619899735848 15.999 > 12 24 O 0.83944769175944 0.60462720793321 0.99619899735848 15.999 > 12 *25 O 0.42545205044053 0.90894562423822 0.97827379057211 15.999 > 13 26 O 0.92545205044053 0.90894562423822 0.97827379057211 15.999 > 13 27 O 0.07454794955947 0.40894562423822 0.52172620942789 15.999 > 14 28 O 0.57454794955947 0.40894562423822 0.52172620942789 15.999 > 14 29 O 0.07454794955947 0.09105437576178 0.02172620942789 15.999 > 15 30 O 0.57454794955947 0.09105437576178 0.02172620942789 15.999 > 15 31 O 0.42545205044053 0.59105437576178 0.47827379057211 15.999 > 16 32 O 0.92545205044053 0.59105437576178 0.47827379057211 15.999 > 16 *33 O 0.33581500413149 0.95256401098187 0.19364189607923 15.999 > 17 34 O 0.83581500413149 0.95256401098187 0.19364189607923 15.999 > 17 35 O 0.16418499586851 0.45256401098187 0.30635810392077 15.999 > 18 36 O 0.66418499586851 0.45256401098187 0.30635810392077 15.999 > 18 37 O 0.16418499586851 0.04743598901813 0.80635810392077 15.999 > 19 38 O 0.66418499586851 0.04743598901813 0.80635810392077 15.999 > 19 39 O 0.33581500413149 0.54743598901813 0.69364189607923 15.999 > 20 40 O 0.83581500413149 0.54743598901813 0.69364189607923 15.999 > 20 *41 O 0.45682182594348 0.74074659690415 0.74506610459213 15.999 > 21 42 O 0.95682182594348 0.74074659690415 0.74506610459213 15.999 > 21 43 O 0.04317817405652 0.24074659690415 0.75493389540787 15.999 > 22 44 O 0.54317817405652 0.24074659690415 0.75493389540787 15.999 > 22 45 O 0.04317817405652 0.25925340309585 0.25493389540787 15.999 > 23 46 O 0.54317817405652 0.25925340309585 0.25493389540787 15.999 > 23 47 O 0.45682182594348 0.75925340309585 0.24506610459213 15.999 > 24 48 O 0.95682182594348 0.75925340309585 0.24506610459213 15.999 > 24 *49 O 0.18227328767802 0.57185066065076 0.76325420336850 15.999 > 25 50 O 0.68227328767802 0.57185066065076 0.76325420336850 15.999 > 25 51 O 0.31772671232198 0.07185066065076 0.73674579663150 15.999 > 26 52 O 0.81772671232198 0.07185066065076 0.73674579663150 15.999 > 26 53 O 0.31772671232198 0.42814933934924 0.23674579663150 15.999 > 27 54 O 0.81772671232198 0.42814933934924 0.23674579663150 15.999 > 27 55 O 0.18227328767802 0.92814933934924 0.26325420336849 15.999 > 28 56 O 0.68227328767802 0.92814933934924 0.26325420336849 15.999 > 28 *57 Al 0.38114853353075 0.90017248827477 0.73956504505413 26.982 > 29 58 Al 0.88114853353075 0.90017248827477 0.73956504505413 26.982 > 29 59 Al 0.11885146646925 0.40017248827477 0.76043495494587 26.982 > 30 60 Al 0.61885146646925 0.40017248827477 0.76043495494587 26.982 > 30 61 Al 0.11885146646925 0.09982751172523 0.26043495494587 26.982 > 31 62 Al 0.61885146646925 0.09982751172523 0.26043495494587 26.982 > 31 63 Al 0.38114853353075 0.59982751172523 0.23956504505413 26.982 > 32 64 Al 0.88114853353075 0.59982751172523 0.23956504505413 26.982 > 32 *65 P 0.43585591264823 0.59624082803592 0.66768577992262 30.974 > 33 66 P 0.93585591264823 0.59624082803592 0.66768577992262 30.974 > 33 67 P 0.06414408735176 0.09624082803592 0.83231422007738 30.974 > 34 68 P 0.56414408735177 0.09624082803592 0.83231422007738 30.974 > 34 69 P 0.06414408735176 0.40375917196408 0.33231422007738 30.974 > 35 70 P 0.56414408735177 0.40375917196408 0.33231422007738 30.974 > 35 71 P 0.43585591264823 0.90375917196408 0.16768577992262 30.974 > 36 72 P 0.93585591264823 0.90375917196408 0.16768577992262 30.974 > 36 *73 P 0.28196365950364 0.86768564553075 0.31113782836714 30.974 > 37 74 P 0.78196365950364 0.86768564553075 0.31113782836714 30.974 > 37 75 P 0.21803634049636 0.36768564553075 0.18886217163286 30.974 > 38 76 P 0.71803634049636 0.36768564553075 0.18886217163286 30.974 > 38 77 P 0.21803634049636 0.13231435446925 0.68886217163286 30.974 > 39 78 P 0.71803634049636 0.13231435446925 0.68886217163286 30.974 > 39 79 P 0.28196365950364 0.63231435446925 0.81113782836714 30.974 > 40 80 P 0.78196365950364 0.63231435446925 0.81113782836714 30.974 > 40 *81 K 0.41031897943342 0.18122578753246 0.44335362746258 39.098 > 41 82 K 0.91031897943342 0.18122578753246 0.44335362746258 39.098 > 41 83 K 0.08968102056658 0.68122578753246 0.05664637253742 39.098 > 42 84 K 0.58968102056658 0.68122578753246 0.05664637253742 39.098 > 42 85 K 0.08968102056658 0.81877421246754 0.55664637253742 39.098 > 43 86 K 0.58968102056658 0.81877421246754 0.55664637253742 39.098 > 43 87 K 0.41031897943342 0.31877421246754 0.94335362746258 39.098 > 44 88 K 0.91031897943342 0.31877421246754 0.94335362746258 39.098 > 44----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 2.5831737 0.0000000 -0.0147736 0.0000000 2.5325650 0.0000000 -0.0147741 0.0000000 2.5779117-------------------------- Born effective charges -------------------------- 1 O -1.3637347 0.1647790 0.0276159 0.3312680 -2.0770557 -0.3671310 0.0093722 -0.3372612 -1.1682846 2 O -1.3637347 -0.1647790 0.0276159 -0.3312680 -2.0770557 0.3671310 0.0093722 0.3372612 -1.1682846 3 O -1.3637347 0.1647790 0.0276159 0.3312680 -2.0770557 -0.3671310 0.0093722 -0.3372612 -1.1682846 4 O -1.3637347 -0.1647790 0.0276159 -0.3312680 -2.0770557 0.3671310 0.0093722 0.3372612 -1.1682846 5 O -1.8694050 -0.6648526 -0.3259715 -0.6899030 -1.6613593 -0.3721279 -0.1869399 -0.2862636 -1.4022788 6 O -1.8694050 0.6648526 -0.3259715 0.6899030 -1.6613593 0.3721279 -0.1869399 0.2862636 -1.4022788 7 O -1.8694050 -0.6648526 -0.3259715 -0.6899030 -1.6613593 -0.3721279 -0.1869399 -0.2862636 -1.4022788 8 O -1.8694050 0.6648526 -0.3259715 0.6899030 -1.6613593 0.3721279 -0.1869399 0.2862636 -1.4022788 9 O -1.1106991 0.0173783 -0.0560047 0.0104714 -1.1385356 -0.1385312 -0.2971753 -0.2136451 -2.6271167 10 O -1.1106991 -0.0173783 -0.0560047 -0.0104714 -1.1385356 0.1385312 -0.2971753 0.2136451 -2.6271167 11 O -1.1106991 0.0173783 -0.0560047 0.0104714 -1.1385356 -0.1385312 -0.2971753 -0.2136451 -2.6271167 12 O -1.1106991 -0.0173783 -0.0560047 -0.0104714 -1.1385356 0.1385312 -0.2971753 0.2136451 -2.6271167 13 O -1.0778865 -0.0757553 0.1748059 -0.1191457 -1.0774144 -0.0219157 0.2264534 0.0133514 -2.7122247 14 O -1.0778865 0.0757553 0.1748059 0.1191457 -1.0774144 0.0219157 0.2264534 -0.0133514 -2.7122247 15 O -1.0778865 -0.0757553 0.1748059 -0.1191457 -1.0774144 -0.0219157 0.2264534 0.0133514 -2.7122247 16 O -1.0778865 0.0757553 0.1748059 0.1191457 -1.0774144 0.0219157 0.2264534 -0.0133514 -2.7122247 17 O -2.5327942 -0.1475728 0.6867104 -0.1002247 -1.1373764 0.1523992 0.7287565 0.1343135 -1.2137407 18 O -2.5327942 0.1475728 0.6867104 0.1002247 -1.1373764 -0.1523992 0.7287565 -0.1343135 -1.2137407 19 O -2.5327942 -0.1475728 0.6867104 -0.1002247 -1.1373764 0.1523992 0.7287565 0.1343135 -1.2137407 20 O -2.5327942 0.1475728 0.6867104 0.1002247 -1.1373764 -0.1523992 0.7287565 -0.1343135 -1.2137407 21 O -1.3035164 0.1381688 -0.0107009 0.1705054 -2.1543660 -0.2637679 0.0448342 -0.2897902 -1.2939096 22 O -1.3035164 -0.1381688 -0.0107009 -0.1705054 -2.1543660 0.2637679 0.0448342 0.2897902 -1.2939096 23 O -1.3035164 0.1381688 -0.0107009 0.1705054 -2.1543660 -0.2637679 0.0448342 -0.2897902 -1.2939096 24 O -1.3035164 -0.1381688 -0.0107009 -0.1705054 -2.1543660 0.2637679 0.0448342 0.2897902 -1.2939096 25 O -2.0990292 -0.7046344 -0.2207320 -0.6494382 -1.6063423 -0.0742867 -0.2576406 -0.0851151 -1.1420255 26 O -2.0990292 0.7046344 -0.2207320 0.6494382 -1.6063423 0.0742867 -0.2576406 0.0851151 -1.1420255 27 O -2.0990292 -0.7046344 -0.2207320 -0.6494382 -1.6063423 -0.0742867 -0.2576406 -0.0851151 -1.1420255 28 O -2.0990292 0.7046344 -0.2207320 0.6494382 -1.6063423 0.0742867 -0.2576406 0.0851151 -1.1420255 29 Al 3.0335285 -0.1634362 -0.0822201 0.2399279 3.4843447 -0.0406005 0.0555513 0.0114130 3.5888587 30 Al 3.0335285 0.1634362 -0.0822201 -0.2399279 3.4843447 0.0406005 0.0555513 -0.0114130 3.5888587 31 Al 3.0335285 -0.1634362 -0.0822201 0.2399279 3.4843447 -0.0406005 0.0555513 0.0114130 3.5888587 32 Al 3.0335285 0.1634362 -0.0822201 -0.2399279 3.4843447 0.0406005 0.0555513 -0.0114130 3.5888587 33 P 3.4628376 -0.3314473 0.0306713 -0.4333111 3.0769398 -0.1168278 -0.4717030 -0.1127067 3.4774852 34 P 3.4628376 0.3314473 0.0306713 0.4333111 3.0769398 0.1168278 -0.4717030 0.1127067 3.4774852 35 P 3.4628376 -0.3314473 0.0306713 -0.4333111 3.0769398 -0.1168278 -0.4717030 -0.1127067 3.4774852 36 P 3.4628376 0.3314473 0.0306713 0.4333111 3.0769398 0.1168278 -0.4717030 0.1127067 3.4774852 37 P 3.5800997 -0.0398621 -0.2974640 -0.4513348 3.0721227 0.1241004 0.0767542 0.1402789 3.2955260 38 P 3.5800997 0.0398621 -0.2974640 0.4513348 3.0721227 -0.1241004 0.0767542 -0.1402789 3.2955260 39 P 3.5800997 -0.0398621 -0.2974640 -0.4513348 3.0721227 0.1241004 0.0767542 0.1402789 3.2955260 40 P 3.5800997 0.0398621 -0.2974640 0.4513348 3.0721227 -0.1241004 0.0767542 -0.1402789 3.2955260 41 K 1.2805994 0.0219508 0.0732897 0.0175891 1.2190424 -0.0438377 0.0717369 -0.0392372 1.1977108 42 K 1.2805994 -0.0219508 0.0732897 -0.0175891 1.2190424 0.0438377 0.0717369 0.0392372 1.1977108 43 K 1.2805994 0.0219508 0.0732897 0.0175891 1.2190424 -0.0438377 0.0717369 -0.0392372 1.1977108 44 K 1.2805994 -0.0219508 0.0732897 -0.0175891 1.2190424 0.0438377 0.0717369 0.0392372 1.1977108----------------------------------------------------------------------------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: 264/264Permutation basis: 17556/17556Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 4488Number of blocks in projector: 4488Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 968Use submatrix version of eigh solver.(1) Block: 500 / 968 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found.(1) 478 eigenvectors found.(1) Block: 968 / 968(1) 446 eigenvectors found.(1) Complementary block size: 44(1) Compute compressed projector.(1) Use standard solver.(1) 22 eigenvectors found.--- Eigsh_solver_block: 2 / 6 ---Block_size: 968Use submatrix version of eigh solver.(1) Block: 500 / 968 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found.(1) 479 eigenvectors found.(1) Block: 968 / 968(1) 453 eigenvectors found.(1) Complementary block size: 36(1) Compute compressed projector.(1) Use standard solver.(1) 15 eigenvectors found.--- Eigsh_solver_block: 3 / 6 ---Block_size: 968Use submatrix version of eigh solver.(1) Block: 500 / 968 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found.(1) 478 eigenvectors found.(1) Block: 968 / 968(1) 446 eigenvectors found.(1) Complementary block size: 44(1) Compute compressed projector.(1) Use standard solver.(1) 22 eigenvectors found.--- Eigsh_solver_block: 4 / 6 ---Block_size: 528Use submatrix version of eigh solver.(1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found.(1) 517 eigenvectors found.(1) Complementary block size: 10(1) Compute compressed projector.(1) Use standard solver.(1) 0 eigenvectors found.--- Eigsh_solver_block: 5 / 6 ---Block_size: 528Use submatrix version of eigh solver.(1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found.(1) 517 eigenvectors found.(1) Complementary block size: 10(1) Compute compressed projector.(1) Use standard solver.(1) 0 eigenvectors found.--- Eigsh_solver_block: 6 / 6 ---Block_size: 528Use submatrix version of eigh solver.(1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found.(1) 517 eigenvectors found.(1) Complementary block size: 10(1) Compute compressed projector.(1) Use standard solver.(1) 0 eigenvectors found.Tree of FC basis block matrices:- (4488, 4390), data: False|-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True|-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True|-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True|-- (968, 946), data: False |-- (968, 22), data: (968, 44) @ (44, 22) |-- (468, 446), data: True |-- (500, 478), data: False |-- (500, 20), data: (500, 42) @ (42, 20) |-- (250, 230), data: True |-- (250, 228), data: True|-- (968, 947), data: False |-- (968, 15), data: (968, 36) @ (36, 15) |-- (468, 453), data: True |-- (500, 479), data: False |-- (500, 19), data: (500, 40) @ (40, 19) |-- (250, 231), data: True |-- (250, 229), data: True|-- (968, 946), data: False |-- (968, 22), data: (968, 44) @ (44, 22) |-- (468, 446), data: True |-- (500, 478), data: False |-- (500, 20), data: (500, 42) @ (42, 20) |-- (250, 230), data: True |-- (250, 228), data: True-----Solver_atoms: 1 -- 88 / 88Time (Solver_compr_matrix_reshape): 0.002Solver_block: 100 / 1360 - Time: 0.853Solver_block: 200 / 1360 - Time: 0.722Solver_block: 300 / 1360 - Time: 0.718Solver_block: 400 / 1360 - Time: 0.722Solver_block: 500 / 1360 - Time: 0.720Solver_block: 600 / 1360 - Time: 0.726Solver_block: 700 / 1360 - Time: 0.723Solver_block: 800 / 1360 - Time: 0.728Solver_block: 900 / 1360 - Time: 0.726Solver_block: 1000 / 1360 - Time: 0.728Solver_block: 1100 / 1360 - Time: 0.718Solver_block: 1200 / 1360 - Time: 0.724Solver_block: 1300 / 1360 - Time: 0.720Solver_block: 1360 / 1360 - Time: 0.496Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 10.309--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 264/264Permutation basis: 17556/17556Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 4488Number of blocks in projector: 4488Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 968Use submatrix version of eigh solver.(1) Block: 500 / 968 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found.(1) 478 eigenvectors found.(1) Block: 968 / 968(1) 446 eigenvectors found.(1) Complementary block size: 44(1) Compute compressed projector.(1) Use standard solver.(1) 22 eigenvectors found.--- Eigsh_solver_block: 2 / 6 ---Block_size: 968Use submatrix version of eigh solver.(1) Block: 500 / 968 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found.(1) 479 eigenvectors found.(1) Block: 968 / 968(1) 453 eigenvectors found.(1) Complementary block size: 36(1) Compute compressed projector.(1) Use standard solver.(1) 15 eigenvectors found.--- Eigsh_solver_block: 3 / 6 ---Block_size: 968Use submatrix version of eigh solver.(1) Block: 500 / 968 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found.(1) 478 eigenvectors found.(1) Block: 968 / 968(1) 446 eigenvectors found.(1) Complementary block size: 44(1) Compute compressed projector.(1) Use standard solver.(1) 22 eigenvectors found.--- Eigsh_solver_block: 4 / 6 ---Block_size: 528Use submatrix version of eigh solver.(1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found.(1) 517 eigenvectors found.(1) Complementary block size: 10(1) Compute compressed projector.(1) Use standard solver.(1) 0 eigenvectors found.--- Eigsh_solver_block: 5 / 6 ---Block_size: 528Use submatrix version of eigh solver.(1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found.(1) 517 eigenvectors found.(1) Complementary block size: 10(1) Compute compressed projector.(1) Use standard solver.(1) 0 eigenvectors found.--- Eigsh_solver_block: 6 / 6 ---Block_size: 528Use submatrix version of eigh solver.(1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found.(1) 517 eigenvectors found.(1) Complementary block size: 10(1) Compute compressed projector.(1) Use standard solver.(1) 0 eigenvectors found.Tree of FC basis block matrices:- (4488, 4390), data: False|-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True|-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True|-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True|-- (968, 946), data: False |-- (968, 22), data: (968, 44) @ (44, 22) |-- (468, 446), data: True |-- (500, 478), data: False |-- (500, 20), data: (500, 42) @ (42, 20) |-- (250, 230), data: True |-- (250, 228), data: True|-- (968, 947), data: False |-- (968, 15), data: (968, 36) @ (36, 15) |-- (468, 453), data: True |-- (500, 479), data: False |-- (500, 19), data: (500, 40) @ (40, 19) |-- (250, 231), data: True |-- (250, 229), data: True|-- (968, 946), data: False |-- (968, 22), data: (968, 44) @ (44, 22) |-- (468, 446), data: True |-- (500, 478), data: False |-- (500, 20), data: (500, 42) @ (42, 20) |-- (250, 230), data: True |-- (250, 228), data: TrueMax drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 02:50:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 02:50:45]-------------------------Compiled with OpenMP support (max 128 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): [2 1 1]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/c (14)------------------------------ primitive cell ------------------------------Lattice vectors: a 7.367723920008077 0.000000000000000 0.000000000000000 b 0.000000000000000 9.692586409999999 0.000000000000000 c -2.362304451260004 0.000000000000000 7.745053078068658Atomic positions (fractional): 1 O 0.55592466647683 0.71652489102811 0.25421635286302 15.999 2 O 0.44407533352317 0.21652489102811 0.24578364713698 15.999 3 O 0.44407533352317 0.28347510897189 0.74578364713698 15.999 4 O 0.55592466647683 0.78347510897189 0.75421635286302 15.999 5 O 0.01914405317161 0.00291402916078 0.27666153049181 15.999 6 O 0.98085594682839 0.50291402916078 0.22333846950819 15.999 7 O 0.98085594682839 0.99708597083922 0.72333846950819 15.999 8 O 0.01914405317161 0.49708597083922 0.77666153049181 15.999 9 O 0.67889538351888 0.89537279206679 0.49619899735848 15.999 10 O 0.32110461648112 0.39537279206679 0.00380100264152 15.999 11 O 0.32110461648112 0.10462720793321 0.50380100264152 15.999 12 O 0.67889538351888 0.60462720793321 0.99619899735848 15.999 13 O 0.85090410088107 0.90894562423822 0.97827379057211 15.999 14 O 0.14909589911893 0.40894562423822 0.52172620942789 15.999 15 O 0.14909589911893 0.09105437576178 0.02172620942789 15.999 16 O 0.85090410088107 0.59105437576178 0.47827379057211 15.999 17 O 0.67163000826299 0.95256401098187 0.19364189607923 15.999 18 O 0.32836999173701 0.45256401098187 0.30635810392077 15.999 19 O 0.32836999173701 0.04743598901813 0.80635810392077 15.999 20 O 0.67163000826299 0.54743598901813 0.69364189607923 15.999 21 O 0.91364365188697 0.74074659690415 0.74506610459213 15.999 22 O 0.08635634811303 0.24074659690415 0.75493389540787 15.999 23 O 0.08635634811303 0.25925340309585 0.25493389540787 15.999 24 O 0.91364365188697 0.75925340309585 0.24506610459213 15.999 25 O 0.36454657535604 0.57185066065076 0.76325420336850 15.999 26 O 0.63545342464396 0.07185066065076 0.73674579663150 15.999 27 O 0.63545342464396 0.42814933934924 0.23674579663150 15.999 28 O 0.36454657535604 0.92814933934924 0.26325420336849 15.999 29 Al 0.76229706706150 0.90017248827477 0.73956504505413 26.982 30 Al 0.23770293293850 0.40017248827477 0.76043495494587 26.982 31 Al 0.23770293293850 0.09982751172523 0.26043495494587 26.982 32 Al 0.76229706706150 0.59982751172523 0.23956504505413 26.982 33 P 0.87171182529647 0.59624082803592 0.66768577992262 30.974 34 P 0.12828817470353 0.09624082803592 0.83231422007738 30.974 35 P 0.12828817470353 0.40375917196408 0.33231422007738 30.974 36 P 0.87171182529647 0.90375917196408 0.16768577992262 30.974 37 P 0.56392731900728 0.86768564553075 0.31113782836714 30.974 38 P 0.43607268099272 0.36768564553075 0.18886217163286 30.974 39 P 0.43607268099272 0.13231435446925 0.68886217163286 30.974 40 P 0.56392731900728 0.63231435446925 0.81113782836714 30.974 41 K 0.82063795886683 0.18122578753246 0.44335362746258 39.098 42 K 0.17936204113317 0.68122578753246 0.05664637253742 39.098 43 K 0.17936204113317 0.81877421246754 0.55664637253742 39.098 44 K 0.82063795886683 0.31877421246754 0.94335362746258 39.098-------------------------------- supercell ---------------------------------Lattice vectors: a 14.735447840016153 0.000000000000000 0.000000000000000 b 0.000000000000000 9.692586409999999 0.000000000000000 c -2.362304451260004 0.000000000000000 7.745053078068658Atomic positions (fractional): 1 O 0.27796233323842 0.71652489102811 0.25421635286302 15.999 > 1 2 O 0.77796233323842 0.71652489102811 0.25421635286302 15.999 > 1 3 O 0.22203766676158 0.21652489102811 0.24578364713698 15.999 > 3 4 O 0.72203766676158 0.21652489102811 0.24578364713698 15.999 > 3 5 O 0.22203766676158 0.28347510897189 0.74578364713698 15.999 > 5 6 O 0.72203766676158 0.28347510897189 0.74578364713698 15.999 > 5 7 O 0.27796233323842 0.78347510897189 0.75421635286302 15.999 > 7 8 O 0.77796233323842 0.78347510897189 0.75421635286302 15.999 > 7 9 O 0.00957202658580 0.00291402916078 0.27666153049181 15.999 > 9 10 O 0.50957202658580 0.00291402916078 0.27666153049181 15.999 > 9 11 O 0.49042797341420 0.50291402916078 0.22333846950819 15.999 > 11 12 O 0.99042797341420 0.50291402916078 0.22333846950819 15.999 > 11 13 O 0.49042797341420 0.99708597083922 0.72333846950819 15.999 > 13 14 O 0.99042797341420 0.99708597083922 0.72333846950819 15.999 > 13 15 O 0.00957202658580 0.49708597083922 0.77666153049181 15.999 > 15 16 O 0.50957202658580 0.49708597083922 0.77666153049181 15.999 > 15 17 O 0.33944769175944 0.89537279206679 0.49619899735848 15.999 > 17 18 O 0.83944769175944 0.89537279206679 0.49619899735848 15.999 > 17 19 O 0.16055230824056 0.39537279206679 0.00380100264152 15.999 > 19 20 O 0.66055230824056 0.39537279206679 0.00380100264152 15.999 > 19 21 O 0.16055230824056 0.10462720793321 0.50380100264152 15.999 > 21 22 O 0.66055230824056 0.10462720793321 0.50380100264152 15.999 > 21 23 O 0.33944769175944 0.60462720793321 0.99619899735848 15.999 > 23 24 O 0.83944769175944 0.60462720793321 0.99619899735848 15.999 > 23 25 O 0.42545205044053 0.90894562423822 0.97827379057211 15.999 > 25 26 O 0.92545205044053 0.90894562423822 0.97827379057211 15.999 > 25 27 O 0.07454794955947 0.40894562423822 0.52172620942789 15.999 > 27 28 O 0.57454794955947 0.40894562423822 0.52172620942789 15.999 > 27 29 O 0.07454794955947 0.09105437576178 0.02172620942789 15.999 > 29 30 O 0.57454794955947 0.09105437576178 0.02172620942789 15.999 > 29 31 O 0.42545205044053 0.59105437576178 0.47827379057211 15.999 > 31 32 O 0.92545205044053 0.59105437576178 0.47827379057211 15.999 > 31 33 O 0.33581500413149 0.95256401098187 0.19364189607923 15.999 > 33 34 O 0.83581500413149 0.95256401098187 0.19364189607923 15.999 > 33 35 O 0.16418499586851 0.45256401098187 0.30635810392077 15.999 > 35 36 O 0.66418499586851 0.45256401098187 0.30635810392077 15.999 > 35 37 O 0.16418499586851 0.04743598901813 0.80635810392077 15.999 > 37 38 O 0.66418499586851 0.04743598901813 0.80635810392077 15.999 > 37 39 O 0.33581500413149 0.54743598901813 0.69364189607923 15.999 > 39 40 O 0.83581500413149 0.54743598901813 0.69364189607923 15.999 > 39 41 O 0.45682182594348 0.74074659690415 0.74506610459213 15.999 > 41 42 O 0.95682182594348 0.74074659690415 0.74506610459213 15.999 > 41 43 O 0.04317817405652 0.24074659690415 0.75493389540787 15.999 > 43 44 O 0.54317817405652 0.24074659690415 0.75493389540787 15.999 > 43 45 O 0.04317817405652 0.25925340309585 0.25493389540787 15.999 > 45 46 O 0.54317817405652 0.25925340309585 0.25493389540787 15.999 > 45 47 O 0.45682182594348 0.75925340309585 0.24506610459213 15.999 > 47 48 O 0.95682182594348 0.75925340309585 0.24506610459213 15.999 > 47 49 O 0.18227328767802 0.57185066065076 0.76325420336850 15.999 > 49 50 O 0.68227328767802 0.57185066065076 0.76325420336850 15.999 > 49 51 O 0.31772671232198 0.07185066065076 0.73674579663150 15.999 > 51 52 O 0.81772671232198 0.07185066065076 0.73674579663150 15.999 > 51 53 O 0.31772671232198 0.42814933934924 0.23674579663150 15.999 > 53 54 O 0.81772671232198 0.42814933934924 0.23674579663150 15.999 > 53 55 O 0.18227328767802 0.92814933934924 0.26325420336849 15.999 > 55 56 O 0.68227328767802 0.92814933934924 0.26325420336849 15.999 > 55 57 Al 0.38114853353075 0.90017248827477 0.73956504505413 26.982 > 57 58 Al 0.88114853353075 0.90017248827477 0.73956504505413 26.982 > 57 59 Al 0.11885146646925 0.40017248827477 0.76043495494587 26.982 > 59 60 Al 0.61885146646925 0.40017248827477 0.76043495494587 26.982 > 59 61 Al 0.11885146646925 0.09982751172523 0.26043495494587 26.982 > 61 62 Al 0.61885146646925 0.09982751172523 0.26043495494587 26.982 > 61 63 Al 0.38114853353075 0.59982751172523 0.23956504505413 26.982 > 63 64 Al 0.88114853353075 0.59982751172523 0.23956504505413 26.982 > 63 65 P 0.43585591264823 0.59624082803592 0.66768577992262 30.974 > 65 66 P 0.93585591264823 0.59624082803592 0.66768577992262 30.974 > 65 67 P 0.06414408735176 0.09624082803592 0.83231422007738 30.974 > 67 68 P 0.56414408735177 0.09624082803592 0.83231422007738 30.974 > 67 69 P 0.06414408735176 0.40375917196408 0.33231422007738 30.974 > 69 70 P 0.56414408735177 0.40375917196408 0.33231422007738 30.974 > 69 71 P 0.43585591264823 0.90375917196408 0.16768577992262 30.974 > 71 72 P 0.93585591264823 0.90375917196408 0.16768577992262 30.974 > 71 73 P 0.28196365950364 0.86768564553075 0.31113782836714 30.974 > 73 74 P 0.78196365950364 0.86768564553075 0.31113782836714 30.974 > 73 75 P 0.21803634049636 0.36768564553075 0.18886217163286 30.974 > 75 76 P 0.71803634049636 0.36768564553075 0.18886217163286 30.974 > 75 77 P 0.21803634049636 0.13231435446925 0.68886217163286 30.974 > 77 78 P 0.71803634049636 0.13231435446925 0.68886217163286 30.974 > 77 79 P 0.28196365950364 0.63231435446925 0.81113782836714 30.974 > 79 80 P 0.78196365950364 0.63231435446925 0.81113782836714 30.974 > 79 81 K 0.41031897943342 0.18122578753246 0.44335362746258 39.098 > 81 82 K 0.91031897943342 0.18122578753246 0.44335362746258 39.098 > 81 83 K 0.08968102056658 0.68122578753246 0.05664637253742 39.098 > 83 84 K 0.58968102056658 0.68122578753246 0.05664637253742 39.098 > 83 85 K 0.08968102056658 0.81877421246754 0.55664637253742 39.098 > 85 86 K 0.58968102056658 0.81877421246754 0.55664637253742 39.098 > 85 87 K 0.41031897943342 0.31877421246754 0.94335362746258 39.098 > 87 88 K 0.91031897943342 0.31877421246754 0.94335362746258 39.098 > 87----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 2.5831737 0.0000000 -0.0147736 0.0000000 2.5325650 0.0000000 -0.0147741 0.0000000 2.5779117-------------------------- Born effective charges -------------------------- 1 O -1.3637347 0.1647790 0.0276159 0.3312680 -2.0770557 -0.3671310 0.0093722 -0.3372612 -1.1682846 2 O -1.3637347 -0.1647790 0.0276159 -0.3312680 -2.0770557 0.3671310 0.0093722 0.3372612 -1.1682846 3 O -1.3637347 0.1647790 0.0276159 0.3312680 -2.0770557 -0.3671310 0.0093722 -0.3372612 -1.1682846 4 O -1.3637347 -0.1647790 0.0276159 -0.3312680 -2.0770557 0.3671310 0.0093722 0.3372612 -1.1682846 5 O -1.8694050 -0.6648526 -0.3259715 -0.6899030 -1.6613593 -0.3721279 -0.1869399 -0.2862636 -1.4022788 6 O -1.8694050 0.6648526 -0.3259715 0.6899030 -1.6613593 0.3721279 -0.1869399 0.2862636 -1.4022788 7 O -1.8694050 -0.6648526 -0.3259715 -0.6899030 -1.6613593 -0.3721279 -0.1869399 -0.2862636 -1.4022788 8 O -1.8694050 0.6648526 -0.3259715 0.6899030 -1.6613593 0.3721279 -0.1869399 0.2862636 -1.4022788 9 O -1.1106991 0.0173783 -0.0560047 0.0104714 -1.1385356 -0.1385312 -0.2971753 -0.2136451 -2.6271167 10 O -1.1106991 -0.0173783 -0.0560047 -0.0104714 -1.1385356 0.1385312 -0.2971753 0.2136451 -2.6271167 11 O -1.1106991 0.0173783 -0.0560047 0.0104714 -1.1385356 -0.1385312 -0.2971753 -0.2136451 -2.6271167 12 O -1.1106991 -0.0173783 -0.0560047 -0.0104714 -1.1385356 0.1385312 -0.2971753 0.2136451 -2.6271167 13 O -1.0778865 -0.0757553 0.1748059 -0.1191457 -1.0774144 -0.0219157 0.2264534 0.0133514 -2.7122247 14 O -1.0778865 0.0757553 0.1748059 0.1191457 -1.0774144 0.0219157 0.2264534 -0.0133514 -2.7122247 15 O -1.0778865 -0.0757553 0.1748059 -0.1191457 -1.0774144 -0.0219157 0.2264534 0.0133514 -2.7122247 16 O -1.0778865 0.0757553 0.1748059 0.1191457 -1.0774144 0.0219157 0.2264534 -0.0133514 -2.7122247 17 O -2.5327942 -0.1475728 0.6867104 -0.1002247 -1.1373764 0.1523992 0.7287565 0.1343135 -1.2137407 18 O -2.5327942 0.1475728 0.6867104 0.1002247 -1.1373764 -0.1523992 0.7287565 -0.1343135 -1.2137407 19 O -2.5327942 -0.1475728 0.6867104 -0.1002247 -1.1373764 0.1523992 0.7287565 0.1343135 -1.2137407 20 O -2.5327942 0.1475728 0.6867104 0.1002247 -1.1373764 -0.1523992 0.7287565 -0.1343135 -1.2137407 21 O -1.3035164 0.1381688 -0.0107009 0.1705054 -2.1543660 -0.2637679 0.0448342 -0.2897902 -1.2939096 22 O -1.3035164 -0.1381688 -0.0107009 -0.1705054 -2.1543660 0.2637679 0.0448342 0.2897902 -1.2939096 23 O -1.3035164 0.1381688 -0.0107009 0.1705054 -2.1543660 -0.2637679 0.0448342 -0.2897902 -1.2939096 24 O -1.3035164 -0.1381688 -0.0107009 -0.1705054 -2.1543660 0.2637679 0.0448342 0.2897902 -1.2939096 25 O -2.0990292 -0.7046344 -0.2207320 -0.6494382 -1.6063423 -0.0742867 -0.2576406 -0.0851151 -1.1420255 26 O -2.0990292 0.7046344 -0.2207320 0.6494382 -1.6063423 0.0742867 -0.2576406 0.0851151 -1.1420255 27 O -2.0990292 -0.7046344 -0.2207320 -0.6494382 -1.6063423 -0.0742867 -0.2576406 -0.0851151 -1.1420255 28 O -2.0990292 0.7046344 -0.2207320 0.6494382 -1.6063423 0.0742867 -0.2576406 0.0851151 -1.1420255 29 Al 3.0335285 -0.1634362 -0.0822201 0.2399279 3.4843447 -0.0406005 0.0555513 0.0114130 3.5888587 30 Al 3.0335285 0.1634362 -0.0822201 -0.2399279 3.4843447 0.0406005 0.0555513 -0.0114130 3.5888587 31 Al 3.0335285 -0.1634362 -0.0822201 0.2399279 3.4843447 -0.0406005 0.0555513 0.0114130 3.5888587 32 Al 3.0335285 0.1634362 -0.0822201 -0.2399279 3.4843447 0.0406005 0.0555513 -0.0114130 3.5888587 33 P 3.4628376 -0.3314473 0.0306713 -0.4333111 3.0769398 -0.1168278 -0.4717030 -0.1127067 3.4774852 34 P 3.4628376 0.3314473 0.0306713 0.4333111 3.0769398 0.1168278 -0.4717030 0.1127067 3.4774852 35 P 3.4628376 -0.3314473 0.0306713 -0.4333111 3.0769398 -0.1168278 -0.4717030 -0.1127067 3.4774852 36 P 3.4628376 0.3314473 0.0306713 0.4333111 3.0769398 0.1168278 -0.4717030 0.1127067 3.4774852 37 P 3.5800997 -0.0398621 -0.2974640 -0.4513348 3.0721227 0.1241004 0.0767542 0.1402789 3.2955260 38 P 3.5800997 0.0398621 -0.2974640 0.4513348 3.0721227 -0.1241004 0.0767542 -0.1402789 3.2955260 39 P 3.5800997 -0.0398621 -0.2974640 -0.4513348 3.0721227 0.1241004 0.0767542 0.1402789 3.2955260 40 P 3.5800997 0.0398621 -0.2974640 0.4513348 3.0721227 -0.1241004 0.0767542 -0.1402789 3.2955260 41 K 1.2805994 0.0219508 0.0732897 0.0175891 1.2190424 -0.0438377 0.0717369 -0.0392372 1.1977108 42 K 1.2805994 -0.0219508 0.0732897 -0.0175891 1.2190424 0.0438377 0.0717369 0.0392372 1.1977108 43 K 1.2805994 0.0219508 0.0732897 0.0175891 1.2190424 -0.0438377 0.0717369 -0.0392372 1.1977108 44 K 1.2805994 -0.0219508 0.0732897 -0.0175891 1.2190424 0.0438377 0.0717369 0.0392372 1.1977108----------------------------------------------------------------------------Sets of supercell forces were read from "FORCES_FC3.xz".Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".----------------------------- Force constants ------------------------------Computing fc3[ 1, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096]Computing fc3[ 9, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096]Computing fc3[ 17, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096]Computing fc3[ 25, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096]Computing fc3[ 33, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096]Computing fc3[ 41, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096]Computing fc3[ 49, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096]Computing fc3[ 57, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096]Computing fc3[ 65, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096]Computing fc3[ 73, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096]Computing fc3[ 81, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: -0.00000001 (zzz) -0.00000001 (zzz) -0.00000001 (zzz)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): 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 02:51:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 02:51:20]-------------------------Compiled with OpenMP support (max 128 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): [2 1 1]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/c (14)------------------------------ primitive cell ------------------------------Lattice vectors: a 7.367723920008077 0.000000000000000 0.000000000000000 b 0.000000000000000 9.692586409999999 0.000000000000000 c -2.362304451260004 0.000000000000000 7.745053078068658Atomic positions (fractional): 1 O 0.55592466647683 0.71652489102811 0.25421635286302 15.999 2 O 0.44407533352317 0.21652489102811 0.24578364713698 15.999 3 O 0.44407533352317 0.28347510897189 0.74578364713698 15.999 4 O 0.55592466647683 0.78347510897189 0.75421635286302 15.999 5 O 0.01914405317161 0.00291402916078 0.27666153049181 15.999 6 O 0.98085594682839 0.50291402916078 0.22333846950819 15.999 7 O 0.98085594682839 0.99708597083922 0.72333846950819 15.999 8 O 0.01914405317161 0.49708597083922 0.77666153049181 15.999 9 O 0.67889538351888 0.89537279206679 0.49619899735848 15.999 10 O 0.32110461648112 0.39537279206679 0.00380100264152 15.999 11 O 0.32110461648112 0.10462720793321 0.50380100264152 15.999 12 O 0.67889538351888 0.60462720793321 0.99619899735848 15.999 13 O 0.85090410088107 0.90894562423822 0.97827379057211 15.999 14 O 0.14909589911893 0.40894562423822 0.52172620942789 15.999 15 O 0.14909589911893 0.09105437576178 0.02172620942789 15.999 16 O 0.85090410088107 0.59105437576178 0.47827379057211 15.999 17 O 0.67163000826299 0.95256401098187 0.19364189607923 15.999 18 O 0.32836999173701 0.45256401098187 0.30635810392077 15.999 19 O 0.32836999173701 0.04743598901813 0.80635810392077 15.999 20 O 0.67163000826299 0.54743598901813 0.69364189607923 15.999 21 O 0.91364365188697 0.74074659690415 0.74506610459213 15.999 22 O 0.08635634811303 0.24074659690415 0.75493389540787 15.999 23 O 0.08635634811303 0.25925340309585 0.25493389540787 15.999 24 O 0.91364365188697 0.75925340309585 0.24506610459213 15.999 25 O 0.36454657535604 0.57185066065076 0.76325420336850 15.999 26 O 0.63545342464396 0.07185066065076 0.73674579663150 15.999 27 O 0.63545342464396 0.42814933934924 0.23674579663150 15.999 28 O 0.36454657535604 0.92814933934924 0.26325420336849 15.999 29 Al 0.76229706706150 0.90017248827477 0.73956504505413 26.982 30 Al 0.23770293293850 0.40017248827477 0.76043495494587 26.982 31 Al 0.23770293293850 0.09982751172523 0.26043495494587 26.982 32 Al 0.76229706706150 0.59982751172523 0.23956504505413 26.982 33 P 0.87171182529647 0.59624082803592 0.66768577992262 30.974 34 P 0.12828817470353 0.09624082803592 0.83231422007738 30.974 35 P 0.12828817470353 0.40375917196408 0.33231422007738 30.974 36 P 0.87171182529647 0.90375917196408 0.16768577992262 30.974 37 P 0.56392731900728 0.86768564553075 0.31113782836714 30.974 38 P 0.43607268099272 0.36768564553075 0.18886217163286 30.974 39 P 0.43607268099272 0.13231435446925 0.68886217163286 30.974 40 P 0.56392731900728 0.63231435446925 0.81113782836714 30.974 41 K 0.82063795886683 0.18122578753246 0.44335362746258 39.098 42 K 0.17936204113317 0.68122578753246 0.05664637253742 39.098 43 K 0.17936204113317 0.81877421246754 0.55664637253742 39.098 44 K 0.82063795886683 0.31877421246754 0.94335362746258 39.098-------------------------------- supercell ---------------------------------Lattice vectors: a 14.735447840016153 0.000000000000000 0.000000000000000 b 0.000000000000000 9.692586409999999 0.000000000000000 c -2.362304451260004 0.000000000000000 7.745053078068658Atomic positions (fractional): 1 O 0.27796233323842 0.71652489102811 0.25421635286302 15.999 > 1 2 O 0.77796233323842 0.71652489102811 0.25421635286302 15.999 > 1 3 O 0.22203766676158 0.21652489102811 0.24578364713698 15.999 > 3 4 O 0.72203766676158 0.21652489102811 0.24578364713698 15.999 > 3 5 O 0.22203766676158 0.28347510897189 0.74578364713698 15.999 > 5 6 O 0.72203766676158 0.28347510897189 0.74578364713698 15.999 > 5 7 O 0.27796233323842 0.78347510897189 0.75421635286302 15.999 > 7 8 O 0.77796233323842 0.78347510897189 0.75421635286302 15.999 > 7 9 O 0.00957202658580 0.00291402916078 0.27666153049181 15.999 > 9 10 O 0.50957202658580 0.00291402916078 0.27666153049181 15.999 > 9 11 O 0.49042797341420 0.50291402916078 0.22333846950819 15.999 > 11 12 O 0.99042797341420 0.50291402916078 0.22333846950819 15.999 > 11 13 O 0.49042797341420 0.99708597083922 0.72333846950819 15.999 > 13 14 O 0.99042797341420 0.99708597083922 0.72333846950819 15.999 > 13 15 O 0.00957202658580 0.49708597083922 0.77666153049181 15.999 > 15 16 O 0.50957202658580 0.49708597083922 0.77666153049181 15.999 > 15 17 O 0.33944769175944 0.89537279206679 0.49619899735848 15.999 > 17 18 O 0.83944769175944 0.89537279206679 0.49619899735848 15.999 > 17 19 O 0.16055230824056 0.39537279206679 0.00380100264152 15.999 > 19 20 O 0.66055230824056 0.39537279206679 0.00380100264152 15.999 > 19 21 O 0.16055230824056 0.10462720793321 0.50380100264152 15.999 > 21 22 O 0.66055230824056 0.10462720793321 0.50380100264152 15.999 > 21 23 O 0.33944769175944 0.60462720793321 0.99619899735848 15.999 > 23 24 O 0.83944769175944 0.60462720793321 0.99619899735848 15.999 > 23 25 O 0.42545205044053 0.90894562423822 0.97827379057211 15.999 > 25 26 O 0.92545205044053 0.90894562423822 0.97827379057211 15.999 > 25 27 O 0.07454794955947 0.40894562423822 0.52172620942789 15.999 > 27 28 O 0.57454794955947 0.40894562423822 0.52172620942789 15.999 > 27 29 O 0.07454794955947 0.09105437576178 0.02172620942789 15.999 > 29 30 O 0.57454794955947 0.09105437576178 0.02172620942789 15.999 > 29 31 O 0.42545205044053 0.59105437576178 0.47827379057211 15.999 > 31 32 O 0.92545205044053 0.59105437576178 0.47827379057211 15.999 > 31 33 O 0.33581500413149 0.95256401098187 0.19364189607923 15.999 > 33 34 O 0.83581500413149 0.95256401098187 0.19364189607923 15.999 > 33 35 O 0.16418499586851 0.45256401098187 0.30635810392077 15.999 > 35 36 O 0.66418499586851 0.45256401098187 0.30635810392077 15.999 > 35 37 O 0.16418499586851 0.04743598901813 0.80635810392077 15.999 > 37 38 O 0.66418499586851 0.04743598901813 0.80635810392077 15.999 > 37 39 O 0.33581500413149 0.54743598901813 0.69364189607923 15.999 > 39 40 O 0.83581500413149 0.54743598901813 0.69364189607923 15.999 > 39 41 O 0.45682182594348 0.74074659690415 0.74506610459213 15.999 > 41 42 O 0.95682182594348 0.74074659690415 0.74506610459213 15.999 > 41 43 O 0.04317817405652 0.24074659690415 0.75493389540787 15.999 > 43 44 O 0.54317817405652 0.24074659690415 0.75493389540787 15.999 > 43 45 O 0.04317817405652 0.25925340309585 0.25493389540787 15.999 > 45 46 O 0.54317817405652 0.25925340309585 0.25493389540787 15.999 > 45 47 O 0.45682182594348 0.75925340309585 0.24506610459213 15.999 > 47 48 O 0.95682182594348 0.75925340309585 0.24506610459213 15.999 > 47 49 O 0.18227328767802 0.57185066065076 0.76325420336850 15.999 > 49 50 O 0.68227328767802 0.57185066065076 0.76325420336850 15.999 > 49 51 O 0.31772671232198 0.07185066065076 0.73674579663150 15.999 > 51 52 O 0.81772671232198 0.07185066065076 0.73674579663150 15.999 > 51 53 O 0.31772671232198 0.42814933934924 0.23674579663150 15.999 > 53 54 O 0.81772671232198 0.42814933934924 0.23674579663150 15.999 > 53 55 O 0.18227328767802 0.92814933934924 0.26325420336849 15.999 > 55 56 O 0.68227328767802 0.92814933934924 0.26325420336849 15.999 > 55 57 Al 0.38114853353075 0.90017248827477 0.73956504505413 26.982 > 57 58 Al 0.88114853353075 0.90017248827477 0.73956504505413 26.982 > 57 59 Al 0.11885146646925 0.40017248827477 0.76043495494587 26.982 > 59 60 Al 0.61885146646925 0.40017248827477 0.76043495494587 26.982 > 59 61 Al 0.11885146646925 0.09982751172523 0.26043495494587 26.982 > 61 62 Al 0.61885146646925 0.09982751172523 0.26043495494587 26.982 > 61 63 Al 0.38114853353075 0.59982751172523 0.23956504505413 26.982 > 63 64 Al 0.88114853353075 0.59982751172523 0.23956504505413 26.982 > 63 65 P 0.43585591264823 0.59624082803592 0.66768577992262 30.974 > 65 66 P 0.93585591264823 0.59624082803592 0.66768577992262 30.974 > 65 67 P 0.06414408735176 0.09624082803592 0.83231422007738 30.974 > 67 68 P 0.56414408735177 0.09624082803592 0.83231422007738 30.974 > 67 69 P 0.06414408735176 0.40375917196408 0.33231422007738 30.974 > 69 70 P 0.56414408735177 0.40375917196408 0.33231422007738 30.974 > 69 71 P 0.43585591264823 0.90375917196408 0.16768577992262 30.974 > 71 72 P 0.93585591264823 0.90375917196408 0.16768577992262 30.974 > 71 73 P 0.28196365950364 0.86768564553075 0.31113782836714 30.974 > 73 74 P 0.78196365950364 0.86768564553075 0.31113782836714 30.974 > 73 75 P 0.21803634049636 0.36768564553075 0.18886217163286 30.974 > 75 76 P 0.71803634049636 0.36768564553075 0.18886217163286 30.974 > 75 77 P 0.21803634049636 0.13231435446925 0.68886217163286 30.974 > 77 78 P 0.71803634049636 0.13231435446925 0.68886217163286 30.974 > 77 79 P 0.28196365950364 0.63231435446925 0.81113782836714 30.974 > 79 80 P 0.78196365950364 0.63231435446925 0.81113782836714 30.974 > 79 81 K 0.41031897943342 0.18122578753246 0.44335362746258 39.098 > 81 82 K 0.91031897943342 0.18122578753246 0.44335362746258 39.098 > 81 83 K 0.08968102056658 0.68122578753246 0.05664637253742 39.098 > 83 84 K 0.58968102056658 0.68122578753246 0.05664637253742 39.098 > 83 85 K 0.08968102056658 0.81877421246754 0.55664637253742 39.098 > 85 86 K 0.58968102056658 0.81877421246754 0.55664637253742 39.098 > 85 87 K 0.41031897943342 0.31877421246754 0.94335362746258 39.098 > 87 88 K 0.91031897943342 0.31877421246754 0.94335362746258 39.098 > 87----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 2.5831737 0.0000000 -0.0147736 0.0000000 2.5325650 0.0000000 -0.0147741 0.0000000 2.5779117-------------------------- Born effective charges -------------------------- 1 O -1.3637347 0.1647790 0.0276159 0.3312680 -2.0770557 -0.3671310 0.0093722 -0.3372612 -1.1682846 2 O -1.3637347 -0.1647790 0.0276159 -0.3312680 -2.0770557 0.3671310 0.0093722 0.3372612 -1.1682846 3 O -1.3637347 0.1647790 0.0276159 0.3312680 -2.0770557 -0.3671310 0.0093722 -0.3372612 -1.1682846 4 O -1.3637347 -0.1647790 0.0276159 -0.3312680 -2.0770557 0.3671310 0.0093722 0.3372612 -1.1682846 5 O -1.8694050 -0.6648526 -0.3259715 -0.6899030 -1.6613593 -0.3721279 -0.1869399 -0.2862636 -1.4022788 6 O -1.8694050 0.6648526 -0.3259715 0.6899030 -1.6613593 0.3721279 -0.1869399 0.2862636 -1.4022788 7 O -1.8694050 -0.6648526 -0.3259715 -0.6899030 -1.6613593 -0.3721279 -0.1869399 -0.2862636 -1.4022788 8 O -1.8694050 0.6648526 -0.3259715 0.6899030 -1.6613593 0.3721279 -0.1869399 0.2862636 -1.4022788 9 O -1.1106991 0.0173783 -0.0560047 0.0104714 -1.1385356 -0.1385312 -0.2971753 -0.2136451 -2.6271167 10 O -1.1106991 -0.0173783 -0.0560047 -0.0104714 -1.1385356 0.1385312 -0.2971753 0.2136451 -2.6271167 11 O -1.1106991 0.0173783 -0.0560047 0.0104714 -1.1385356 -0.1385312 -0.2971753 -0.2136451 -2.6271167 12 O -1.1106991 -0.0173783 -0.0560047 -0.0104714 -1.1385356 0.1385312 -0.2971753 0.2136451 -2.6271167 13 O -1.0778865 -0.0757553 0.1748059 -0.1191457 -1.0774144 -0.0219157 0.2264534 0.0133514 -2.7122247 14 O -1.0778865 0.0757553 0.1748059 0.1191457 -1.0774144 0.0219157 0.2264534 -0.0133514 -2.7122247 15 O -1.0778865 -0.0757553 0.1748059 -0.1191457 -1.0774144 -0.0219157 0.2264534 0.0133514 -2.7122247 16 O -1.0778865 0.0757553 0.1748059 0.1191457 -1.0774144 0.0219157 0.2264534 -0.0133514 -2.7122247 17 O -2.5327942 -0.1475728 0.6867104 -0.1002247 -1.1373764 0.1523992 0.7287565 0.1343135 -1.2137407 18 O -2.5327942 0.1475728 0.6867104 0.1002247 -1.1373764 -0.1523992 0.7287565 -0.1343135 -1.2137407 19 O -2.5327942 -0.1475728 0.6867104 -0.1002247 -1.1373764 0.1523992 0.7287565 0.1343135 -1.2137407 20 O -2.5327942 0.1475728 0.6867104 0.1002247 -1.1373764 -0.1523992 0.7287565 -0.1343135 -1.2137407 21 O -1.3035164 0.1381688 -0.0107009 0.1705054 -2.1543660 -0.2637679 0.0448342 -0.2897902 -1.2939096 22 O -1.3035164 -0.1381688 -0.0107009 -0.1705054 -2.1543660 0.2637679 0.0448342 0.2897902 -1.2939096 23 O -1.3035164 0.1381688 -0.0107009 0.1705054 -2.1543660 -0.2637679 0.0448342 -0.2897902 -1.2939096 24 O -1.3035164 -0.1381688 -0.0107009 -0.1705054 -2.1543660 0.2637679 0.0448342 0.2897902 -1.2939096 25 O -2.0990292 -0.7046344 -0.2207320 -0.6494382 -1.6063423 -0.0742867 -0.2576406 -0.0851151 -1.1420255 26 O -2.0990292 0.7046344 -0.2207320 0.6494382 -1.6063423 0.0742867 -0.2576406 0.0851151 -1.1420255 27 O -2.0990292 -0.7046344 -0.2207320 -0.6494382 -1.6063423 -0.0742867 -0.2576406 -0.0851151 -1.1420255 28 O -2.0990292 0.7046344 -0.2207320 0.6494382 -1.6063423 0.0742867 -0.2576406 0.0851151 -1.1420255 29 Al 3.0335285 -0.1634362 -0.0822201 0.2399279 3.4843447 -0.0406005 0.0555513 0.0114130 3.5888587 30 Al 3.0335285 0.1634362 -0.0822201 -0.2399279 3.4843447 0.0406005 0.0555513 -0.0114130 3.5888587 31 Al 3.0335285 -0.1634362 -0.0822201 0.2399279 3.4843447 -0.0406005 0.0555513 0.0114130 3.5888587 32 Al 3.0335285 0.1634362 -0.0822201 -0.2399279 3.4843447 0.0406005 0.0555513 -0.0114130 3.5888587 33 P 3.4628376 -0.3314473 0.0306713 -0.4333111 3.0769398 -0.1168278 -0.4717030 -0.1127067 3.4774852 34 P 3.4628376 0.3314473 0.0306713 0.4333111 3.0769398 0.1168278 -0.4717030 0.1127067 3.4774852 35 P 3.4628376 -0.3314473 0.0306713 -0.4333111 3.0769398 -0.1168278 -0.4717030 -0.1127067 3.4774852 36 P 3.4628376 0.3314473 0.0306713 0.4333111 3.0769398 0.1168278 -0.4717030 0.1127067 3.4774852 37 P 3.5800997 -0.0398621 -0.2974640 -0.4513348 3.0721227 0.1241004 0.0767542 0.1402789 3.2955260 38 P 3.5800997 0.0398621 -0.2974640 0.4513348 3.0721227 -0.1241004 0.0767542 -0.1402789 3.2955260 39 P 3.5800997 -0.0398621 -0.2974640 -0.4513348 3.0721227 0.1241004 0.0767542 0.1402789 3.2955260 40 P 3.5800997 0.0398621 -0.2974640 0.4513348 3.0721227 -0.1241004 0.0767542 -0.1402789 3.2955260 41 K 1.2805994 0.0219508 0.0732897 0.0175891 1.2190424 -0.0438377 0.0717369 -0.0392372 1.1977108 42 K 1.2805994 -0.0219508 0.0732897 -0.0175891 1.2190424 0.0438377 0.0717369 0.0392372 1.1977108 43 K 1.2805994 0.0219508 0.0732897 0.0175891 1.2190424 -0.0438377 0.0717369 -0.0392372 1.1977108 44 K 1.2805994 -0.0219508 0.0732897 -0.0175891 1.2190424 0.0438377 0.0717369 0.0392372 1.1977108----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000001 (zzz) -0.00000001 (zzz) -0.00000001 (zzz)Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- 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 ... [ 7 5 6 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.51, Number of G-points: 301, Lambda: 0.08Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/66) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 66Calculating 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 1.642 ( 0.000 0.000 0.000) 0.000 2.591 ( 0.000 0.000 0.000) 0.000 2.736 ( 0.000 0.000 0.000) 0.000 2.824 ( 0.000 0.000 0.000) 0.000 2.825 ( 0.000 0.000 0.000) 0.000 2.925 ( 0.000 0.000 0.000) 0.000 3.006 ( 0.000 0.000 0.000) 0.000 3.049 ( 0.000 0.000 0.000) 0.000 3.113 ( 0.000 0.000 0.000) 0.000 3.157 ( 0.000 0.000 0.000) 0.000 3.284 ( 0.000 0.000 0.000) 0.000 3.416 ( 0.000 0.000 0.000) 0.000 3.495 ( 0.000 0.000 0.000) 0.000 3.517 ( 0.000 0.000 0.000) 0.000 3.732 ( 0.000 0.000 0.000) 0.000 4.225 ( 0.000 0.000 0.000) 0.000 4.230 ( 0.000 0.000 0.000) 0.000 4.301 ( 0.000 0.000 0.000) 0.000 4.383 ( 0.000 0.000 0.000) 0.000 4.746 ( 0.000 0.000 0.000) 0.000 4.814 ( 0.000 0.000 0.000) 0.000 4.896 ( 0.000 0.000 0.000) 0.000 5.135 ( 0.000 0.000 0.000) 0.000 5.316 ( 0.000 0.000 0.000) 0.000 5.654 ( 0.000 0.000 0.000) 0.000 5.725 ( 0.000 0.000 0.000) 0.000 5.884 ( 0.000 0.000 0.000) 0.000 6.238 ( 0.000 0.000 0.000) 0.000 6.251 ( 0.000 0.000 0.000) 0.000 6.321 ( 0.000 0.000 0.000) 0.000 6.417 ( 0.000 0.000 0.000) 0.000 6.710 ( 0.000 0.000 0.000) 0.000 7.075 ( 0.000 0.000 0.000) 0.000 7.143 ( 0.000 0.000 0.000) 0.000 7.296 ( 0.000 0.000 0.000) 0.000 7.674 ( 0.000 0.000 0.000) 0.000 7.753 ( 0.000 0.000 0.000) 0.000 8.000 ( 0.000 0.000 0.000) 0.000 8.088 ( 0.000 0.000 0.000) 0.000 8.259 ( 0.000 0.000 0.000) 0.000 8.329 ( 0.000 0.000 0.000) 0.000 8.387 ( 0.000 0.000 0.000) 0.000 8.673 ( 0.000 0.000 0.000) 0.000 8.936 ( 0.000 0.000 0.000) 0.000 9.279 ( 0.000 0.000 0.000) 0.000 9.377 ( 0.000 0.000 0.000) 0.000 9.457 ( 0.000 0.000 0.000) 0.000 9.518 ( 0.000 0.000 0.000) 0.000 9.563 ( 0.000 0.000 0.000) 0.000 9.647 ( 0.000 0.000 0.000) 0.000 9.928 ( 0.000 0.000 0.000) 0.000 10.549 ( 0.000 0.000 0.000) 0.000 10.677 ( 0.000 0.000 0.000) 0.000 10.802 ( 0.000 0.000 0.000) 0.000 10.822 ( 0.000 0.000 0.000) 0.000 11.199 ( 0.000 0.000 0.000) 0.000 11.264 ( 0.000 0.000 0.000) 0.000 11.445 ( 0.000 0.000 0.000) 0.000 11.578 ( 0.000 0.000 0.000) 0.000 11.748 ( 0.000 0.000 0.000) 0.000 11.880 ( 0.000 0.000 0.000) 0.000 11.934 ( 0.000 0.000 0.000) 0.000 12.119 ( 0.000 0.000 0.000) 0.000 12.133 ( 0.000 0.000 0.000) 0.000 12.261 ( 0.000 0.000 0.000) 0.000 12.389 ( 0.000 0.000 0.000) 0.000 12.467 ( 0.000 0.000 0.000) 0.000 12.669 ( 0.000 0.000 0.000) 0.000 12.697 ( 0.000 0.000 0.000) 0.000 12.924 ( 0.000 0.000 0.000) 0.000 13.057 ( 0.000 0.000 0.000) 0.000 13.240 ( 0.000 0.000 0.000) 0.000 13.247 ( 0.000 0.000 0.000) 0.000 13.985 ( 0.000 0.000 0.000) 0.000 14.013 ( 0.000 0.000 0.000) 0.000 14.183 ( 0.000 0.000 0.000) 0.000 14.357 ( 0.000 0.000 0.000) 0.000 14.789 ( 0.000 0.000 0.000) 0.000 14.863 ( 0.000 0.000 0.000) 0.000 15.171 ( 0.000 0.000 0.000) 0.000 15.566 ( 0.000 0.000 0.000) 0.000 16.308 ( 0.000 0.000 0.000) 0.000 16.398 ( 0.000 0.000 0.000) 0.000 16.504 ( 0.000 0.000 0.000) 0.000 16.618 ( 0.000 0.000 0.000) 0.000 16.986 ( 0.000 0.000 0.000) 0.000 17.043 ( 0.000 0.000 0.000) 0.000 17.207 ( 0.000 0.000 0.000) 0.000 17.216 ( 0.000 0.000 0.000) 0.000 17.814 ( 0.000 0.000 0.000) 0.000 17.916 ( 0.000 0.000 0.000) 0.000 17.917 ( 0.000 0.000 0.000) 0.000 17.970 ( 0.000 0.000 0.000) 0.000 18.735 ( 0.000 0.000 0.000) 0.000 19.262 ( 0.000 0.000 0.000) 0.000 19.303 ( 0.000 0.000 0.000) 0.000 19.376 ( 0.000 0.000 0.000) 0.000 22.164 ( 0.000 0.000 0.000) 0.000 22.446 ( 0.000 0.000 0.000) 0.000 22.773 ( 0.000 0.000 0.000) 0.000 22.775 ( 0.000 0.000 0.000) 0.000 26.631 ( 0.000 0.000 0.000) 0.000 26.724 ( 0.000 0.000 0.000) 0.000 27.102 ( 0.000 0.000 0.000) 0.000 27.244 ( 0.000 0.000 0.000) 0.000 30.038 ( 0.000 0.000 0.000) 0.000 30.094 ( 0.000 0.000 0.000) 0.000 30.134 ( 0.000 0.000 0.000) 0.000 30.185 ( 0.000 0.000 0.000) 0.000 31.420 ( 0.000 0.000 0.000) 0.000 31.578 ( 0.000 0.000 0.000) 0.000 31.722 ( 0.000 0.000 0.000) 0.000 31.807 ( 0.000 0.000 0.000) 0.000 31.813 ( 0.000 0.000 0.000) 0.000 31.822 ( 0.000 0.000 0.000) 0.000 32.802 ( 0.000 0.000 0.000) 0.000 32.909 ( 0.000 0.000 0.000) 0.000 32.936 ( 0.000 0.000 0.000) 0.000 33.100 ( 0.000 0.000 0.000) 0.000 33.290 ( 0.000 0.000 0.000) 0.000 33.348 ( 0.000 0.000 0.000) 0.000 33.819 ( 0.000 0.000 0.000) 0.000 34.800 ( 0.000 0.000 0.000) 0.000 34.828 ( 0.000 0.000 0.000) 0.000 35.272 ( 0.000 0.000 0.000) 0.000 35.791 ( 0.000 0.000 0.000) 0.000 36.908 ( 0.000 0.000 0.000) 0.000 36.999 ( 0.000 0.000 0.000) 0.000 37.592 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/66) =======================q-point: ( 0.14 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 66Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.822 ( 33.961 0.000 22.124) 40.532 0.928 ( 43.871 0.000 9.621) 44.914 1.255 ( 56.787 0.000 20.629) 60.417 1.750 ( 7.261 0.000 6.112) 9.491 2.573 ( -2.001 0.000 -6.135) 6.453 2.830 ( 2.195 0.000 -1.262) 2.532 2.902 ( 10.165 0.000 3.824) 10.861 2.914 ( 6.988 0.000 -3.271) 7.716 2.955 ( -2.176 0.000 -6.761) 7.103 2.995 ( 6.143 0.000 4.008) 7.335 3.097 ( 0.873 0.000 1.113) 1.414 3.196 ( 1.523 0.000 1.709) 2.289 3.291 ( 6.683 0.000 -8.038) 10.453 3.307 ( 2.381 0.000 0.943) 2.561 3.441 ( 4.591 0.000 -5.111) 6.870 3.529 ( 3.773 0.000 0.371) 3.792 3.613 ( 11.247 0.000 4.158) 11.991 3.880 ( 13.276 0.000 -0.801) 13.300 4.114 ( 0.050 0.000 -4.937) 4.938 4.304 ( 2.781 0.000 -2.969) 4.068 4.468 ( 11.957 0.000 8.598) 14.727 4.634 ( -8.301 0.000 5.127) 9.756 4.754 ( -2.228 0.000 7.552) 7.873 4.893 ( 6.079 0.000 6.247) 8.716 4.905 ( 2.690 0.000 -6.049) 6.620 5.150 ( 5.972 0.000 -14.556) 15.734 5.330 ( -2.831 0.000 -1.425) 3.169 5.525 ( -19.113 0.000 1.439) 19.167 5.657 ( -2.503 0.000 0.781) 2.622 5.899 ( 3.536 0.000 0.245) 3.545 6.064 ( -15.318 0.000 1.479) 15.389 6.294 ( 2.723 0.000 -0.009) 2.723 6.312 ( -3.858 0.000 1.321) 4.077 6.424 ( 6.475 0.000 -12.677) 14.235 6.668 ( -5.725 0.000 5.577) 7.992 7.014 ( -5.739 0.000 -1.981) 6.071 7.066 ( -2.566 0.000 -13.328) 13.573 7.416 ( 5.798 0.000 13.209) 14.426 7.649 ( -5.221 0.000 3.559) 6.319 7.829 ( 3.153 0.000 2.160) 3.822 7.901 ( -8.098 0.000 0.936) 8.152 8.082 ( -1.233 0.000 -3.040) 3.281 8.244 ( -1.109 0.000 2.408) 2.651 8.316 ( -2.414 0.000 -10.169) 10.452 8.396 ( 1.587 0.000 -0.929) 1.839 8.702 ( 1.828 0.000 1.111) 2.139 9.072 ( 9.858 0.000 3.908) 10.604 9.224 ( -3.584 0.000 -0.785) 3.669 9.364 ( -5.941 0.000 -2.406) 6.409 9.370 ( -2.615 0.000 -2.227) 3.435 9.546 ( 4.337 0.000 2.385) 4.949 9.713 ( -3.464 0.000 -3.364) 4.828 9.805 ( 12.539 0.000 5.615) 13.739 9.863 ( -6.512 0.000 0.140) 6.513 10.505 ( -4.769 0.000 -1.021) 4.877 10.641 ( -4.475 0.000 6.402) 7.810 10.707 ( -6.958 0.000 2.015) 7.244 10.837 ( 1.462 0.000 0.916) 1.725 11.255 ( 0.541 0.000 -5.008) 5.038 11.373 ( -1.441 0.000 -0.339) 1.480 11.436 ( 6.502 0.000 -8.768) 10.916 11.501 ( -6.025 0.000 -3.609) 7.023 11.766 ( -10.428 0.000 4.712) 11.443 11.834 ( -6.061 0.000 1.098) 6.159 12.050 ( -0.115 0.000 -7.577) 7.578 12.165 ( -0.824 0.000 15.080) 15.103 12.199 ( -0.634 0.000 9.102) 9.124 12.375 ( -0.723 0.000 5.273) 5.322 12.452 ( -1.244 0.000 2.494) 2.788 12.664 ( 8.702 0.000 -16.946) 19.050 12.693 ( 2.171 0.000 -0.401) 2.208 12.781 ( 14.912 0.000 -6.229) 16.161 12.910 ( -4.285 0.000 6.173) 7.515 13.003 ( -3.771 0.000 -3.324) 5.027 13.207 ( -3.316 0.000 -1.296) 3.560 13.275 ( 2.516 0.000 4.570) 5.216 13.921 ( -5.353 0.000 -1.551) 5.573 14.037 ( 2.379 0.000 0.328) 2.402 14.164 ( -2.915 0.000 2.657) 3.944 14.429 ( 8.671 0.000 -6.246) 10.686 14.801 ( -6.036 0.000 0.134) 6.038 14.858 ( -1.015 0.000 -4.466) 4.580 15.130 ( -4.522 0.000 1.540) 4.777 15.560 ( -2.029 0.000 2.943) 3.575 16.389 ( 0.524 0.000 1.917) 1.988 16.516 ( -11.025 0.000 6.439) 12.768 16.606 ( 6.997 0.000 1.921) 7.256 16.733 ( -1.217 0.000 5.675) 5.804 17.012 ( 2.552 0.000 -0.104) 2.554 17.231 ( 1.869 0.000 -0.819) 2.041 17.430 ( 19.186 0.000 -10.795) 22.015 17.743 ( -3.188 0.000 -5.355) 6.232 17.793 ( -1.543 0.000 -1.798) 2.370 17.929 ( -0.820 0.000 0.022) 0.820 17.993 ( 1.375 0.000 4.103) 4.327 18.227 ( 5.110 0.000 -20.418) 21.047 18.974 ( 6.321 0.000 -5.834) 8.602 19.237 ( -2.572 0.000 1.983) 3.248 19.324 ( 1.854 0.000 -1.056) 2.134 19.391 ( 1.344 0.000 0.124) 1.349 22.166 ( 0.609 0.000 -1.384) 1.512 22.435 ( -0.486 0.000 -1.719) 1.786 22.747 ( -2.279 0.000 -0.442) 2.322 22.759 ( -8.050 0.000 5.472) 9.734 26.697 ( 5.442 0.000 3.576) 6.512 27.139 ( 4.543 0.000 -4.215) 6.197 27.316 ( 5.483 0.000 4.789) 7.280 28.027 ( 28.167 0.000 -97.514) 101.501 30.076 ( -1.091 0.000 1.199) 1.621 30.102 ( 1.308 0.000 -1.311) 1.852 30.185 ( 4.130 0.000 -0.370) 4.147 30.193 ( 0.596 0.000 0.526) 0.795 31.518 ( -1.758 0.000 4.120) 4.479 31.523 ( -4.453 0.000 -1.641) 4.746 31.764 ( 3.620 0.000 0.641) 3.676 31.812 ( 0.199 0.000 2.845) 2.852 31.840 ( 2.417 0.000 -0.603) 2.491 31.880 ( 6.265 0.000 -1.548) 6.454 32.871 ( -4.176 0.000 1.144) 4.330 32.894 ( 1.708 0.000 -15.833) 15.925 32.951 ( 1.498 0.000 -0.186) 1.509 33.045 ( -4.588 0.000 -0.536) 4.619 33.278 ( -0.563 0.000 -1.693) 1.784 33.674 ( -4.672 0.000 -17.069) 17.697 34.159 ( 15.614 0.000 -17.362) 23.350 34.755 ( -4.912 0.000 -5.263) 7.200 35.320 ( 2.805 0.000 4.249) 5.091 35.792 ( -0.488 0.000 2.128) 2.183 35.997 ( -35.519 0.000 132.053) 136.747 36.868 ( -0.492 0.000 -15.776) 15.784 37.010 ( 0.071 0.000 3.288) 3.289 37.579 ( -1.286 0.000 -0.086) 1.289======================= Grid point 2 (3/66) =======================q-point: ( 0.29 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 66Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.548 ( 28.548 0.000 15.922) 32.688 1.728 ( 23.782 0.000 10.798) 26.119 1.967 ( 18.042 0.000 3.518) 18.382 2.396 ( 46.360 0.000 15.089) 48.753 2.417 ( -7.016 0.000 -10.774) 12.857 2.822 ( -2.812 0.000 -5.559) 6.229 2.921 ( 4.979 0.000 1.240) 5.131 3.034 ( 6.701 0.000 -3.289) 7.465 3.044 ( 0.846 0.000 3.008) 3.125 3.089 ( -1.175 0.000 2.800) 3.036 3.106 ( 0.593 0.000 3.032) 3.089 3.212 ( 1.085 0.000 1.310) 1.700 3.389 ( 5.649 0.000 2.625) 6.229 3.414 ( 4.373 0.000 1.386) 4.588 3.570 ( 10.200 0.000 2.371) 10.472 3.718 ( 14.406 0.000 8.290) 16.621 3.860 ( 6.185 0.000 -0.143) 6.186 4.052 ( 3.800 0.000 -0.573) 3.843 4.277 ( 16.707 0.000 5.308) 17.530 4.394 ( 2.746 0.000 -8.467) 8.902 4.543 ( 0.403 0.000 0.501) 0.644 4.576 ( -8.451 0.000 2.492) 8.811 4.836 ( -6.539 0.000 4.001) 7.666 4.979 ( 7.746 0.000 -17.203) 18.866 4.997 ( 7.745 0.000 -12.567) 14.762 5.149 ( 6.655 0.000 3.222) 7.394 5.154 ( -8.569 0.000 -7.445) 11.351 5.333 ( 5.277 0.000 2.710) 5.933 5.472 ( -14.727 0.000 1.206) 14.776 5.880 ( -2.545 0.000 2.130) 3.319 6.013 ( 6.394 0.000 3.072) 7.093 6.247 ( -2.816 0.000 0.859) 2.944 6.290 ( -2.683 0.000 1.759) 3.208 6.479 ( 4.711 0.000 -8.424) 9.651 6.528 ( -10.605 0.000 -4.299) 11.443 6.879 ( -7.364 0.000 0.476) 7.379 6.988 ( 3.994 0.000 -9.633) 10.429 7.494 ( -13.210 0.000 9.030) 16.001 7.618 ( 5.493 0.000 14.631) 15.628 7.738 ( -9.027 0.000 -4.597) 10.130 7.894 ( 1.966 0.000 -1.195) 2.301 8.020 ( -0.046 0.000 -4.528) 4.528 8.214 ( -0.858 0.000 -10.279) 10.315 8.308 ( 2.931 0.000 6.259) 6.912 8.363 ( -2.953 0.000 -5.227) 6.004 8.757 ( 3.631 0.000 0.203) 3.636 9.143 ( -4.856 0.000 -2.499) 5.461 9.211 ( -5.227 0.000 4.062) 6.620 9.302 ( 5.215 0.000 0.601) 5.249 9.303 ( -2.778 0.000 3.149) 4.200 9.577 ( -6.583 0.000 -0.806) 6.632 9.641 ( 1.437 0.000 4.187) 4.427 9.660 ( -12.171 0.000 0.446) 12.179 10.096 ( 13.213 0.000 2.206) 13.396 10.349 ( -9.628 0.000 -0.948) 9.675 10.627 ( -0.526 0.000 6.178) 6.201 10.637 ( 0.147 0.000 -4.548) 4.550 10.887 ( 2.253 0.000 2.889) 3.664 11.220 ( -12.833 0.000 6.728) 14.489 11.224 ( -1.926 0.000 -1.039) 2.188 11.343 ( -5.876 0.000 -7.243) 9.327 11.566 ( 7.997 0.000 -8.789) 11.882 11.669 ( -10.263 0.000 0.729) 10.288 11.728 ( 5.129 0.000 4.540) 6.850 12.001 ( -1.918 0.000 -3.481) 3.974 12.214 ( 1.326 0.000 0.812) 1.555 12.214 ( -1.245 0.000 4.190) 4.371 12.382 ( 0.085 0.000 -0.776) 0.781 12.485 ( 4.145 0.000 -1.706) 4.482 12.685 ( 0.274 0.000 -2.409) 2.425 12.736 ( 0.775 0.000 4.839) 4.901 12.807 ( -7.925 0.000 3.845) 8.808 12.913 ( -2.283 0.000 -3.179) 3.914 13.116 ( 18.285 0.000 -4.702) 18.880 13.127 ( -3.057 0.000 -3.567) 4.698 13.399 ( 6.886 0.000 5.194) 8.625 13.793 ( -5.486 0.000 -4.331) 6.990 14.100 ( 3.533 0.000 0.304) 3.546 14.106 ( -5.038 0.000 4.728) 6.909 14.513 ( -2.732 0.000 -5.181) 5.857 14.738 ( 7.014 0.000 -3.106) 7.671 14.788 ( -1.746 0.000 -9.154) 9.319 15.030 ( -6.288 0.000 2.115) 6.634 15.487 ( -8.315 0.000 4.042) 9.245 16.370 ( -7.273 0.000 6.786) 9.947 16.463 ( 4.485 0.000 5.028) 6.738 16.730 ( 4.485 0.000 0.127) 4.487 16.777 ( 0.893 0.000 7.398) 7.451 17.066 ( 2.202 0.000 0.496) 2.257 17.278 ( 3.435 0.000 -1.463) 3.734 17.580 ( -0.334 0.000 -3.249) 3.267 17.740 ( -2.432 0.000 -1.838) 3.048 17.784 ( 11.485 0.000 -15.308) 19.138 17.881 ( -1.175 0.000 0.375) 1.233 18.073 ( 3.711 0.000 4.787) 6.057 18.194 ( -1.342 0.000 -3.491) 3.740 19.093 ( 6.977 0.000 0.613) 7.003 19.195 ( -2.732 0.000 1.867) 3.310 19.349 ( 1.109 0.000 -0.846) 1.394 19.417 ( 0.986 0.000 -0.485) 1.098 22.170 ( 0.645 0.000 -1.646) 1.768 22.413 ( -0.147 0.000 -3.183) 3.187 22.614 ( -9.000 0.000 4.678) 10.143 22.694 ( -2.509 0.000 -0.616) 2.583 26.864 ( 7.930 0.000 7.000) 10.577 27.197 ( 4.149 0.000 -7.783) 8.820 27.487 ( 6.923 0.000 9.895) 12.076 27.976 ( 10.185 0.000 -45.508) 46.634 30.072 ( -0.155 0.000 1.117) 1.128 30.123 ( 1.660 0.000 -1.566) 2.282 30.209 ( 0.528 0.000 0.861) 1.010 30.269 ( 4.282 0.000 -0.120) 4.284 31.415 ( -5.158 0.000 -1.434) 5.354 31.507 ( -1.338 0.000 2.564) 2.892 31.823 ( 1.838 0.000 -0.125) 1.843 31.831 ( 0.016 0.000 2.285) 2.285 31.943 ( 7.890 0.000 0.916) 7.943 32.028 ( 9.529 0.000 -1.596) 9.662 32.766 ( -7.236 0.000 1.518) 7.394 32.775 ( -6.282 0.000 -8.837) 10.842 32.969 ( -2.257 0.000 -0.605) 2.337 32.982 ( 1.454 0.000 -0.063) 1.456 33.258 ( -0.183 0.000 -1.934) 1.943 33.496 ( -4.888 0.000 -10.201) 11.312 34.342 ( 8.904 0.000 -2.916) 9.370 34.617 ( -5.397 0.000 -5.016) 7.368 35.399 ( 2.503 0.000 3.659) 4.433 35.796 ( -0.405 0.000 1.760) 1.806 36.121 ( -11.072 0.000 61.614) 62.601 36.729 ( -3.333 0.000 -16.989) 17.313 37.037 ( 0.261 0.000 4.307) 4.315 37.547 ( -1.717 0.000 -0.336) 1.750======================= Grid point 3 (4/66) =======================q-point: ( 0.43 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 66Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.951 ( 4.349 0.000 9.962) 10.870 2.073 ( 16.032 0.000 7.921) 17.882 2.127 ( -6.220 0.000 -12.282) 13.767 2.557 ( 17.788 0.000 3.623) 18.153 2.671 ( -5.895 0.000 -5.956) 8.380 2.846 ( 4.058 0.000 -1.225) 4.239 2.998 ( -3.004 0.000 1.180) 3.228 3.069 ( -3.021 0.000 0.043) 3.021 3.097 ( 0.863 0.000 -0.077) 0.866 3.123 ( 3.766 0.000 -2.268) 4.396 3.241 ( 0.141 0.000 1.437) 1.444 3.359 ( 8.207 0.000 1.777) 8.397 3.585 ( 13.505 0.000 2.092) 13.666 3.646 ( 30.017 0.000 26.045) 39.742 3.796 ( 4.185 0.000 6.163) 7.450 3.933 ( 5.100 0.000 0.875) 5.175 4.039 ( 7.294 0.000 9.228) 11.763 4.131 ( 5.098 0.000 0.707) 5.147 4.228 ( -21.866 0.000 -3.790) 22.192 4.300 ( -4.868 0.000 -6.336) 7.991 4.451 ( -6.686 0.000 -6.919) 9.622 4.474 ( -23.186 0.000 -17.112) 28.817 4.606 ( 0.598 0.000 -17.209) 17.219 4.640 ( 3.732 0.000 5.485) 6.634 5.004 ( -14.054 0.000 2.290) 14.239 5.262 ( 6.018 0.000 -5.385) 8.076 5.315 ( 9.674 0.000 4.164) 10.533 5.560 ( 13.814 0.000 1.558) 13.901 5.574 ( 12.263 0.000 5.900) 13.608 5.926 ( 6.656 0.000 -0.187) 6.658 6.076 ( -3.925 0.000 8.906) 9.732 6.168 ( -7.952 0.000 2.651) 8.382 6.221 ( -8.412 0.000 -18.744) 20.545 6.375 ( 7.362 0.000 3.654) 8.219 6.507 ( 2.957 0.000 -6.018) 6.705 6.750 ( -5.569 0.000 2.056) 5.936 7.067 ( 4.645 0.000 -2.081) 5.090 7.271 ( -13.959 0.000 9.393) 16.826 7.540 ( -4.147 0.000 -7.635) 8.688 7.736 ( -0.270 0.000 5.913) 5.919 7.908 ( 1.871 0.000 -2.187) 2.878 8.072 ( 4.602 0.000 1.809) 4.944 8.172 ( 0.323 0.000 -3.542) 3.557 8.245 ( -4.574 0.000 -5.696) 7.305 8.382 ( 1.399 0.000 2.925) 3.242 8.840 ( 4.394 0.000 -0.946) 4.494 9.012 ( -5.469 0.000 -0.208) 5.473 9.078 ( -7.239 0.000 2.873) 7.788 9.332 ( 3.314 0.000 1.946) 3.843 9.393 ( 1.161 0.000 1.325) 1.762 9.438 ( -6.099 0.000 -0.172) 6.101 9.472 ( -4.921 0.000 -0.444) 4.941 9.711 ( 2.562 0.000 2.578) 3.635 10.168 ( -6.523 0.000 -1.532) 6.701 10.309 ( 7.183 0.000 -1.083) 7.265 10.631 ( 1.336 0.000 -4.143) 4.353 10.662 ( -0.078 0.000 3.685) 3.686 10.951 ( 2.781 0.000 1.400) 3.114 11.047 ( -6.470 0.000 3.900) 7.554 11.168 ( -4.399 0.000 3.478) 5.608 11.226 ( -1.419 0.000 -5.447) 5.629 11.506 ( -4.961 0.000 -0.461) 4.983 11.626 ( 1.831 0.000 -0.899) 2.040 11.909 ( 6.920 0.000 1.151) 7.016 11.951 ( -1.266 0.000 -1.265) 1.790 12.204 ( -1.012 0.000 1.826) 2.087 12.265 ( 4.382 0.000 -2.208) 4.907 12.389 ( 2.050 0.000 -0.987) 2.275 12.539 ( 2.379 0.000 -4.124) 4.761 12.588 ( -9.917 0.000 0.490) 9.929 12.710 ( -1.318 0.000 0.159) 1.327 12.769 ( 0.043 0.000 2.266) 2.267 12.928 ( 2.797 0.000 6.884) 7.430 13.040 ( -3.175 0.000 -7.000) 7.686 13.399 ( 11.276 0.000 1.152) 11.334 13.527 ( 0.624 0.000 0.997) 1.176 13.687 ( -1.730 0.000 -2.734) 3.235 14.043 ( -3.019 0.000 2.361) 3.832 14.173 ( 3.924 0.000 -0.330) 3.938 14.352 ( -7.493 0.000 -0.880) 7.545 14.708 ( -1.560 0.000 -3.889) 4.190 14.941 ( -2.966 0.000 0.657) 3.038 14.964 ( 14.378 0.000 -5.160) 15.276 15.295 ( -12.639 0.000 4.383) 13.377 16.310 ( -2.100 0.000 2.536) 3.293 16.576 ( 3.065 0.000 3.344) 4.536 16.780 ( 1.240 0.000 -0.970) 1.574 16.830 ( 0.632 0.000 3.499) 3.556 17.091 ( 0.359 0.000 0.311) 0.475 17.327 ( 1.716 0.000 -0.782) 1.886 17.565 ( 0.745 0.000 -0.648) 0.987 17.694 ( -1.140 0.000 -0.665) 1.320 17.733 ( -3.224 0.000 -4.265) 5.347 18.013 ( 9.541 0.000 -6.100) 11.324 18.130 ( -5.302 0.000 3.156) 6.170 18.161 ( 2.280 0.000 2.041) 3.060 19.161 ( -1.303 0.000 0.795) 1.526 19.217 ( 4.040 0.000 1.200) 4.215 19.358 ( 0.279 0.000 -0.397) 0.485 19.416 ( -0.464 0.000 -0.767) 0.896 22.172 ( 0.243 0.000 -0.698) 0.739 22.399 ( 0.659 0.000 -2.684) 2.763 22.499 ( -4.499 0.000 3.151) 5.493 22.655 ( -1.005 0.000 -0.302) 1.050 27.055 ( 5.945 0.000 9.395) 11.118 27.181 ( -0.688 0.000 -9.737) 9.761 27.668 ( 3.762 0.000 12.303) 12.865 27.887 ( 1.987 0.000 -22.486) 22.574 30.077 ( 0.067 0.000 0.450) 0.455 30.142 ( 0.796 0.000 -0.791) 1.122 30.220 ( 0.136 0.000 0.492) 0.510 30.333 ( 1.948 0.000 -0.022) 1.948 31.331 ( -2.359 0.000 -0.527) 2.417 31.499 ( -0.511 0.000 0.934) 1.065 31.839 ( -0.090 0.000 0.860) 0.865 31.845 ( 0.635 0.000 -0.125) 0.648 32.106 ( 6.329 0.000 1.308) 6.463 32.195 ( 6.780 0.000 -1.062) 6.863 32.598 ( -5.980 0.000 -3.681) 7.022 32.634 ( -5.730 0.000 1.047) 5.825 32.942 ( -0.490 0.000 -0.295) 0.572 33.000 ( 0.435 0.000 -0.060) 0.440 33.251 ( 0.211 0.000 -0.749) 0.778 33.383 ( -2.089 0.000 -3.603) 4.165 34.452 ( 3.116 0.000 -0.323) 3.132 34.515 ( -2.348 0.000 -1.971) 3.066 35.449 ( 0.941 0.000 1.326) 1.626 35.797 ( -0.175 0.000 0.622) 0.647 36.274 ( -2.216 0.000 29.528) 29.611 36.564 ( -2.083 0.000 -16.672) 16.801 37.062 ( 0.193 0.000 2.024) 2.033 37.518 ( -0.821 0.000 -0.265) 0.863======================= Grid point 7 (5/66) =======================q-point: ( 0.00 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 66Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.653 ( 0.000 32.597 0.000) 32.597 0.967 ( 0.000 45.263 0.000) 45.263 1.507 ( 0.000 66.433 0.000) 66.433 1.823 ( 0.000 16.338 0.000) 16.338 2.626 ( 0.000 -15.156 0.000) 15.156 2.695 ( 0.000 8.780 0.000) 8.780 2.744 ( 0.000 -10.416 0.000) 10.416 2.913 ( 0.000 -1.690 0.000) 1.690 2.929 ( 0.000 0.646 0.000) 0.646 3.030 ( 0.000 1.607 0.000) 1.607 3.035 ( 0.000 0.136 0.000) 0.136 3.133 ( 0.000 2.524 0.000) 2.524 3.154 ( 0.000 -4.402 0.000) 4.402 3.258 ( 0.000 -2.721 0.000) 2.721 3.418 ( 0.000 0.024 0.000) 0.024 3.547 ( 0.000 -2.206 0.000) 2.206 3.759 ( 0.000 3.701 0.000) 3.701 3.952 ( 0.000 16.357 0.000) 16.357 4.253 ( 0.000 1.886 0.000) 1.886 4.258 ( 0.000 2.655 0.000) 2.655 4.309 ( 0.000 5.353 0.000) 5.353 4.389 ( 0.000 0.239 0.000) 0.239 4.750 ( 0.000 -5.835 0.000) 5.835 4.820 ( 0.000 1.408 0.000) 1.408 4.984 ( 0.000 10.493 0.000) 10.493 5.085 ( 0.000 -11.999 0.000) 11.999 5.254 ( 0.000 1.078 0.000) 1.078 5.635 ( 0.000 -2.598 0.000) 2.598 5.784 ( 0.000 2.533 0.000) 2.533 5.810 ( 0.000 -7.080 0.000) 7.080 5.963 ( 0.000 -13.351 0.000) 13.351 6.174 ( 0.000 -7.638 0.000) 7.638 6.358 ( 0.000 2.352 0.000) 2.352 6.640 ( 0.000 -6.054 0.000) 6.054 6.663 ( 0.000 13.297 0.000) 13.297 7.018 ( 0.000 -5.719 0.000) 5.719 7.044 ( 0.000 -3.123 0.000) 3.123 7.374 ( 0.000 2.924 0.000) 2.924 7.526 ( 0.000 -13.423 0.000) 13.423 7.646 ( 0.000 -7.239 0.000) 7.239 7.761 ( 0.000 -14.115 0.000) 14.115 8.023 ( 0.000 -5.858 0.000) 5.858 8.159 ( 0.000 -10.783 0.000) 10.783 8.255 ( 0.000 -9.653 0.000) 9.653 8.408 ( 0.000 8.974 0.000) 8.974 8.872 ( 0.000 7.524 0.000) 7.524 9.190 ( 0.000 22.198 0.000) 22.198 9.243 ( 0.000 -13.600 0.000) 13.600 9.527 ( 0.000 0.799 0.000) 0.799 9.585 ( 0.000 6.942 0.000) 6.942 9.609 ( 0.000 22.111 0.000) 22.111 9.645 ( 0.000 1.706 0.000) 1.706 9.685 ( 0.000 2.789 0.000) 2.789 10.025 ( 0.000 8.713 0.000) 8.713 10.581 ( 0.000 3.125 0.000) 3.125 10.697 ( 0.000 2.138 0.000) 2.138 10.805 ( 0.000 0.125 0.000) 0.125 11.022 ( 0.000 -9.113 0.000) 9.113 11.132 ( 0.000 0.469 0.000) 0.469 11.221 ( 0.000 -5.655 0.000) 5.655 11.349 ( 0.000 -7.871 0.000) 7.871 11.615 ( 0.000 -0.388 0.000) 0.388 11.671 ( 0.000 -16.945 0.000) 16.945 11.800 ( 0.000 -7.038 0.000) 7.038 11.968 ( 0.000 3.400 0.000) 3.400 12.138 ( 0.000 13.516 0.000) 13.516 12.313 ( 0.000 1.691 0.000) 1.691 12.368 ( 0.000 1.729 0.000) 1.729 12.556 ( 0.000 -2.441 0.000) 2.441 12.581 ( 0.000 3.904 0.000) 3.904 12.669 ( 0.000 -2.793 0.000) 2.793 12.892 ( 0.000 -3.440 0.000) 3.440 13.041 ( 0.000 1.574 0.000) 1.574 13.201 ( 0.000 -3.875 0.000) 3.875 13.381 ( 0.000 18.651 0.000) 18.651 14.005 ( 0.000 1.960 0.000) 1.960 14.016 ( 0.000 -0.778 0.000) 0.778 14.061 ( 0.000 4.848 0.000) 4.848 14.195 ( 0.000 0.489 0.000) 0.489 14.405 ( 0.000 1.613 0.000) 1.613 14.717 ( 0.000 -6.242 0.000) 6.242 15.083 ( 0.000 -10.488 0.000) 10.488 15.326 ( 0.000 -7.478 0.000) 7.478 15.487 ( 0.000 -6.663 0.000) 6.663 16.353 ( 0.000 3.431 0.000) 3.431 16.436 ( 0.000 3.841 0.000) 3.841 16.555 ( 0.000 -3.543 0.000) 3.543 16.718 ( 0.000 -0.077 0.000) 0.077 17.002 ( 0.000 0.001 0.000) 0.001 17.037 ( 0.000 -0.623 0.000) 0.623 17.241 ( 0.000 2.994 0.000) 2.994 17.251 ( 0.000 2.956 0.000) 2.956 17.888 ( 0.000 1.136 0.000) 1.136 17.908 ( 0.000 -0.776 0.000) 0.776 17.916 ( 0.000 0.022 0.000) 0.022 17.975 ( 0.000 0.411 0.000) 0.411 18.788 ( 0.000 5.068 0.000) 5.068 19.269 ( 0.000 -5.895 0.000) 5.895 19.316 ( 0.000 1.250 0.000) 1.250 19.391 ( 0.000 0.133 0.000) 0.133 22.439 ( 0.000 1.793 0.000) 1.793 22.500 ( 0.000 4.101 0.000) 4.101 22.715 ( 0.000 -4.174 0.000) 4.174 22.767 ( 0.000 -1.911 0.000) 1.911 26.676 ( 0.000 4.277 0.000) 4.277 26.765 ( 0.000 3.887 0.000) 3.887 27.082 ( 0.000 -4.718 0.000) 4.718 27.183 ( 0.000 -5.609 0.000) 5.609 30.057 ( 0.000 1.784 0.000) 1.784 30.103 ( 0.000 0.919 0.000) 0.919 30.176 ( 0.000 -0.905 0.000) 0.905 30.198 ( 0.000 -0.716 0.000) 0.716 31.418 ( 0.000 -0.119 0.000) 0.119 31.571 ( 0.000 -7.164 0.000) 7.164 31.722 ( 0.000 0.090 0.000) 0.090 31.798 ( 0.000 -0.896 0.000) 0.896 32.013 ( 0.000 11.391 0.000) 11.391 32.075 ( 0.000 13.525 0.000) 13.525 32.759 ( 0.000 -4.875 0.000) 4.875 32.867 ( 0.000 -6.590 0.000) 6.590 33.123 ( 0.000 2.058 0.000) 2.058 33.293 ( 0.000 -0.777 0.000) 0.777 33.328 ( 0.000 0.143 0.000) 0.143 33.747 ( 0.000 -6.558 0.000) 6.558 34.793 ( 0.000 -0.549 0.000) 0.549 34.813 ( 0.000 -0.677 0.000) 0.677 35.298 ( 0.000 2.259 0.000) 2.259 35.393 ( 0.000 0.310 0.000) 0.310 35.871 ( 0.000 7.669 0.000) 7.669 36.684 ( 0.000 -13.691 0.000) 13.691 37.176 ( 0.000 9.294 0.000) 9.294 37.587 ( 0.000 -3.300 0.000) 3.300======================= Grid point 8 (6/66) =======================q-point: ( 0.14 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 106Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.064 ( 25.644 20.237 21.426) 39.066 1.181 ( 19.919 31.753 6.763) 38.088 1.894 ( 4.148 15.336 5.355) 16.765 1.987 ( 38.595 43.720 6.953) 58.731 2.564 ( -3.842 -6.369 -6.305) 9.750 2.764 ( 1.720 -6.731 1.552) 7.119 2.840 ( 8.552 -3.581 1.530) 9.397 2.888 ( 1.524 1.694 -1.781) 2.892 2.992 ( 3.617 0.835 1.729) 4.095 3.015 ( -0.598 -0.421 1.703) 1.854 3.134 ( 5.635 3.717 1.413) 6.897 3.177 ( 1.744 -0.226 3.139) 3.598 3.231 ( 6.895 -6.909 -2.947) 10.196 3.315 ( 4.441 1.389 0.015) 4.653 3.479 ( 8.127 0.940 -4.076) 9.141 3.587 ( 5.569 -2.486 1.207) 6.217 3.630 ( -0.271 6.532 -0.915) 6.602 4.035 ( 6.435 13.412 0.169) 14.877 4.143 ( -0.884 2.880 -3.932) 4.953 4.267 ( 1.809 -0.129 -1.101) 2.122 4.473 ( 10.047 0.556 5.586) 11.509 4.558 ( 4.064 -2.023 -0.246) 4.546 4.736 ( 0.059 -3.191 -2.235) 3.896 4.920 ( 4.964 -2.204 5.943) 8.051 4.983 ( 1.636 0.329 -0.668) 1.797 5.039 ( -5.351 -3.817 2.981) 7.217 5.279 ( 5.229 4.651 -10.503) 12.621 5.498 ( -12.763 -6.723 -0.590) 14.437 5.681 ( -1.833 1.545 4.054) 4.709 5.855 ( 2.649 -1.663 -1.755) 3.587 6.025 ( -1.974 -3.321 -0.187) 3.868 6.214 ( 5.340 -7.255 -3.136) 9.539 6.304 ( -5.059 1.091 -2.425) 5.715 6.533 ( -1.032 4.108 -10.597) 11.412 6.646 ( -4.748 1.695 7.017) 8.641 6.999 ( 0.044 -1.385 -6.393) 6.541 7.085 ( -1.397 -1.182 -2.683) 3.248 7.311 ( -1.289 -7.213 1.787) 7.542 7.495 ( -6.607 -14.068 4.978) 16.320 7.727 ( 4.810 -5.719 2.498) 7.879 7.757 ( 0.833 -8.507 0.346) 8.555 8.012 ( -0.226 -7.601 -1.044) 7.676 8.073 ( -3.639 -6.712 -5.429) 9.369 8.293 ( 1.564 -8.004 1.751) 8.341 8.447 ( 1.287 7.656 1.568) 7.920 8.889 ( -0.423 9.619 0.975) 9.677 9.134 ( -1.856 -0.787 -1.126) 2.309 9.261 ( 1.947 0.518 -2.130) 2.932 9.467 ( -6.488 7.418 -0.548) 9.870 9.528 ( -1.226 3.353 0.316) 3.584 9.558 ( -4.710 17.341 2.299) 18.115 9.674 ( 3.997 10.062 2.064) 11.022 9.832 ( 5.275 -2.697 4.151) 7.234 10.089 ( 4.834 12.102 -0.660) 13.048 10.520 ( -7.050 1.870 1.015) 7.364 10.671 ( -4.456 1.863 5.689) 7.463 10.681 ( -7.796 -1.778 2.108) 8.270 10.990 ( -9.936 6.222 8.302) 14.365 11.072 ( 3.722 -10.842 -6.275) 13.068 11.320 ( 3.782 -6.932 -7.358) 10.793 11.333 ( 0.395 -4.987 -3.347) 6.019 11.588 ( -1.779 3.075 -2.159) 4.157 11.616 ( -4.488 -18.412 -0.488) 18.958 11.786 ( -4.948 -1.459 1.207) 5.298 12.038 ( 6.307 -6.140 1.445) 8.920 12.207 ( 5.895 11.709 1.110) 13.156 12.275 ( -6.582 -1.505 -2.668) 7.260 12.315 ( -3.392 7.211 1.952) 8.204 12.567 ( -5.134 3.955 11.762) 13.429 12.619 ( 7.689 -2.314 -6.361) 10.244 12.673 ( 0.327 -2.711 0.343) 2.752 12.777 ( -3.963 -0.665 -12.284) 12.924 13.017 ( -1.307 -3.422 -8.770) 9.504 13.092 ( -8.773 3.322 4.182) 10.270 13.330 ( -8.044 13.713 -2.980) 16.175 13.489 ( -14.215 16.999 8.126) 23.602 13.942 ( -5.660 1.959 -1.168) 6.102 14.060 ( -0.357 1.937 -1.543) 2.502 14.194 ( -0.802 2.635 3.517) 4.467 14.457 ( 7.284 2.220 -7.061) 10.385 14.644 ( -2.203 -7.887 -5.408) 9.814 14.929 ( -5.152 -1.158 1.103) 5.394 15.183 ( -4.427 4.528 2.463) 6.794 15.488 ( -1.365 -6.238 3.817) 7.440 16.411 ( 0.111 2.093 0.950) 2.301 16.499 ( -3.570 -1.850 5.929) 7.164 16.574 ( 2.167 -3.911 6.399) 7.807 16.644 ( -0.748 -5.293 4.390) 6.917 17.033 ( 1.983 1.733 -0.743) 2.737 17.194 ( 3.715 -3.060 -4.791) 6.791 17.450 ( 18.551 1.666 -9.028) 20.699 17.667 ( 12.636 -6.078 -5.485) 15.057 17.811 ( -3.635 1.520 -2.330) 4.577 17.920 ( 0.278 -2.430 -0.505) 2.497 17.949 ( 5.359 -2.177 0.413) 5.799 18.051 ( 8.309 -4.985 -5.602) 11.192 18.881 ( 7.007 0.461 2.573) 7.479 19.202 ( -2.976 -3.380 2.079) 4.960 19.390 ( 2.209 1.252 1.168) 2.795 19.422 ( 3.600 1.514 -3.111) 4.993 22.294 ( -7.312 8.216 -2.444) 11.267 22.452 ( -1.438 1.968 -0.496) 2.487 22.687 ( -3.712 -4.579 0.562) 5.921 22.730 ( -5.223 -2.993 2.910) 6.686 26.739 ( 5.181 4.023 3.324) 7.354 27.086 ( 6.695 -4.725 -4.268) 9.239 27.260 ( 6.389 -4.890 3.445) 8.752 27.387 ( 38.547 -26.196 -31.324) 56.154 30.085 ( 2.372 1.113 -0.734) 2.721 30.100 ( -0.372 1.101 1.232) 1.694 30.182 ( 0.326 -0.881 0.715) 1.180 30.214 ( 2.272 -0.050 -1.338) 2.637 31.417 ( -0.973 -1.332 1.769) 2.419 31.560 ( -0.994 -4.399 0.359) 4.525 31.723 ( 0.319 -0.349 -0.480) 0.674 31.779 ( -0.959 -0.781 -0.519) 1.342 32.030 ( 1.818 12.496 0.892) 12.659 32.124 ( 5.648 14.994 -0.846) 16.045 32.788 ( 1.864 -6.064 -2.573) 6.846 32.905 ( 3.517 -4.104 -0.583) 5.437 33.065 ( -5.077 3.203 -2.136) 6.372 33.208 ( -7.696 7.426 -6.966) 12.763 33.281 ( -1.336 1.092 -3.119) 3.565 33.628 ( -6.254 -4.533 -14.666) 16.575 34.353 ( -3.529 14.054 -26.376) 30.095 34.742 ( -5.071 -1.404 -5.984) 7.968 35.350 ( 2.831 2.737 5.552) 6.807 35.700 ( -4.593 -10.732 45.982) 47.441 35.918 ( -6.201 3.476 37.921) 38.581 36.660 ( -1.201 -13.759 -5.727) 14.951 37.168 ( -0.847 9.204 0.671) 9.267 37.566 ( -1.787 -2.331 0.375) 2.961======================= Grid point 9 (7/66) =======================q-point: ( 0.29 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 106Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.643 ( 24.888 9.602 6.550) 27.468 1.741 ( 25.236 3.683 15.220) 29.700 1.975 ( 1.360 8.854 3.729) 9.703 2.437 ( -3.222 1.086 -6.646) 7.465 2.735 ( 2.626 -2.067 -2.240) 4.023 2.807 ( 18.978 14.713 1.766) 24.078 2.932 ( 12.157 2.512 4.210) 13.108 2.981 ( 2.370 -4.098 6.162) 7.771 3.021 ( 1.259 0.139 1.345) 1.847 3.065 ( 3.682 1.043 -1.186) 4.007 3.195 ( -0.616 0.606 1.276) 1.542 3.224 ( 3.326 3.186 0.379) 4.621 3.354 ( 0.455 -1.450 2.933) 3.303 3.430 ( 10.061 -4.819 8.167) 13.826 3.559 ( 8.282 6.790 -4.104) 11.469 3.754 ( 1.735 -6.666 3.785) 7.859 3.821 ( 11.786 0.416 6.502) 13.467 4.109 ( 2.750 5.697 -1.142) 6.428 4.214 ( 6.931 -5.273 2.607) 9.090 4.411 ( 10.739 -2.096 -3.738) 11.563 4.500 ( -8.562 -0.354 -5.188) 10.017 4.546 ( -4.373 1.999 -1.716) 5.105 4.706 ( -8.038 -9.275 -6.177) 13.740 4.948 ( 15.289 5.463 2.981) 16.507 5.105 ( 12.811 3.847 -6.853) 15.030 5.218 ( 12.141 8.466 8.663) 17.150 5.270 ( -7.359 0.429 1.171) 7.464 5.360 ( 7.275 1.917 -9.597) 12.194 5.602 ( -10.630 11.924 -1.255) 16.023 5.877 ( -2.345 1.183 -4.439) 5.158 5.943 ( 1.601 -2.748 3.820) 4.971 6.222 ( 0.982 -1.150 0.730) 1.679 6.294 ( 3.282 -4.236 -9.075) 10.539 6.484 ( -1.437 -1.534 -4.030) 4.545 6.566 ( -6.356 6.711 0.110) 9.243 6.943 ( -5.665 4.179 1.229) 7.146 6.984 ( 1.445 -1.268 -8.894) 9.100 7.301 ( -7.795 -13.156 6.791) 16.732 7.443 ( 0.985 -12.972 7.639) 15.087 7.697 ( -4.740 -5.314 -6.726) 9.796 7.820 ( 4.222 -4.951 0.489) 6.525 8.001 ( -0.819 -3.499 -3.562) 5.060 8.079 ( 5.487 -7.345 -0.838) 9.206 8.285 ( -3.565 -5.831 1.772) 7.061 8.440 ( -2.369 7.886 -0.178) 8.236 8.870 ( -0.597 5.223 -0.334) 5.267 9.072 ( -5.769 -6.286 -0.353) 8.540 9.273 ( -2.885 7.567 2.332) 8.428 9.332 ( -7.467 -1.492 1.441) 7.750 9.499 ( 0.702 8.557 -3.322) 9.206 9.534 ( 0.921 17.029 3.807) 17.474 9.714 ( -0.730 4.892 4.525) 6.704 9.880 ( -4.383 11.265 0.763) 12.112 10.205 ( 7.729 8.569 1.711) 11.665 10.332 ( -11.613 -1.114 2.820) 12.002 10.589 ( -1.138 -2.892 -4.424) 5.406 10.647 ( -0.747 -0.213 7.203) 7.244 10.899 ( -3.042 0.851 1.684) 3.579 11.076 ( -0.272 -10.936 -3.894) 11.612 11.231 ( -9.479 -2.181 8.118) 12.669 11.334 ( 1.454 -1.267 -11.515) 11.676 11.501 ( -6.444 -13.543 -0.471) 15.005 11.582 ( 4.253 -1.170 -4.289) 6.152 11.703 ( -2.143 2.631 1.702) 3.796 12.073 ( -8.319 -1.337 4.486) 9.546 12.134 ( 0.806 -2.317 -1.941) 3.128 12.293 ( -0.325 1.484 0.198) 1.533 12.353 ( 9.279 6.659 -3.307) 11.890 12.519 ( -3.112 2.598 1.207) 4.230 12.662 ( -0.261 -1.988 -4.389) 4.825 12.681 ( 1.070 -3.661 1.467) 4.087 12.796 ( 3.738 -6.670 -2.210) 7.959 12.855 ( -8.035 -4.750 -4.860) 10.523 13.051 ( -0.086 2.364 1.274) 2.687 13.214 ( 0.060 2.225 2.265) 3.175 13.465 ( 0.099 2.439 2.211) 3.294 13.815 ( -5.159 2.817 -3.702) 6.947 14.025 ( -3.106 -2.476 2.933) 4.938 14.224 ( 2.102 6.356 1.795) 6.931 14.433 ( -4.020 -5.304 -5.519) 8.646 14.731 ( 12.232 2.602 -5.956) 13.852 14.860 ( -2.294 2.890 -0.896) 3.797 15.108 ( -4.437 6.379 1.252) 7.871 15.450 ( -6.029 -3.527 5.025) 8.604 16.373 ( -4.846 1.277 4.931) 7.031 16.501 ( 2.667 2.080 6.416) 7.253 16.684 ( 2.948 -3.937 -1.767) 5.226 16.716 ( 4.580 -5.682 7.344) 10.354 17.055 ( 0.314 -0.050 0.258) 0.410 17.243 ( 3.714 -3.096 -3.600) 6.028 17.589 ( -0.509 1.168 -3.734) 3.945 17.723 ( -1.321 -1.410 -2.743) 3.355 17.809 ( 7.062 2.019 -9.833) 12.273 17.891 ( 1.427 0.795 0.495) 1.707 18.058 ( 4.124 -1.024 2.886) 5.137 18.151 ( 3.093 -3.533 -3.401) 5.798 19.037 ( 6.767 -1.675 2.764) 7.499 19.180 ( -1.191 -1.903 2.606) 3.439 19.431 ( 1.393 3.007 0.612) 3.370 19.449 ( 1.536 4.035 -4.006) 5.890 22.208 ( -1.566 3.549 -1.237) 4.072 22.415 ( -1.443 0.448 -2.348) 2.793 22.573 ( -7.708 -3.505 3.759) 9.264 22.661 ( -2.635 -3.007 -0.207) 4.004 26.897 ( 7.365 3.065 6.470) 10.271 27.166 ( 4.686 -2.825 -6.173) 8.249 27.436 ( 7.493 -4.269 7.032) 11.127 27.716 ( 16.213 -18.283 -29.207) 38.081 30.101 ( 0.155 2.269 0.720) 2.385 30.129 ( 2.139 0.633 -1.291) 2.577 30.196 ( 0.359 -1.050 1.325) 1.728 30.265 ( 3.206 -0.848 -0.595) 3.370 31.389 ( -2.530 -0.490 0.342) 2.600 31.550 ( -0.491 0.817 1.803) 2.040 31.723 ( 0.049 -4.509 -0.912) 4.601 31.776 ( 0.602 -2.153 0.445) 2.279 32.103 ( 4.861 12.082 1.738) 13.139 32.273 ( 9.760 16.409 -1.422) 19.145 32.746 ( -4.348 -3.275 -7.415) 9.199 32.920 ( -6.147 9.190 -0.129) 11.057 32.967 ( 0.977 -0.959 -1.640) 2.136 33.032 ( -5.037 6.221 -2.613) 8.420 33.234 ( -1.316 -1.749 -3.391) 4.036 33.445 ( -4.468 -4.654 -9.196) 11.233 34.320 ( 4.196 -0.618 -3.439) 5.460 34.595 ( -5.924 -2.446 -4.990) 8.123 35.438 ( 2.453 3.561 5.181) 6.748 35.778 ( -1.058 -2.764 7.758) 8.303 36.057 ( -5.299 -2.880 43.692) 44.106 36.570 ( -2.954 -12.033 -10.152) 16.018 37.159 ( -0.644 8.475 1.707) 8.669 37.530 ( -1.864 -1.967 -0.012) 2.710======================= Grid point 10 (8/66) =======================q-point: ( 0.43 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 106Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.975 ( 2.079 0.027 3.368) 3.958 2.063 ( 2.616 -5.256 -3.663) 6.920 2.127 ( 14.565 4.153 4.709) 15.860 2.497 ( 7.466 1.062 2.413) 7.918 2.613 ( -4.660 -5.510 -1.294) 7.331 2.855 ( -2.525 -0.866 -0.969) 2.840 3.023 ( 3.025 2.846 2.274) 4.735 3.067 ( 0.952 -0.129 1.890) 2.120 3.105 ( 1.070 -0.333 -0.449) 1.207 3.142 ( -0.925 2.468 -2.486) 3.623 3.258 ( -0.254 1.911 0.374) 1.963 3.337 ( 3.189 -2.472 -0.561) 4.074 3.425 ( 9.208 -4.479 3.764) 10.909 3.650 ( -10.578 -13.917 -0.012) 17.481 3.704 ( 9.136 -10.288 8.710) 16.284 3.876 ( 17.351 -0.039 7.320) 18.832 4.011 ( 1.386 4.665 4.250) 6.461 4.155 ( 3.237 -1.334 0.653) 3.562 4.236 ( -6.411 -1.420 -6.531) 9.262 4.274 ( -1.800 -1.685 -0.689) 2.560 4.434 ( -4.383 0.199 0.372) 4.403 4.505 ( 0.809 7.069 -3.757) 8.046 4.741 ( 11.885 9.793 -5.227) 16.263 4.984 ( -5.277 19.695 -5.823) 21.204 5.137 ( -19.118 15.170 -1.521) 24.453 5.289 ( 3.433 -0.193 3.955) 5.241 5.385 ( 10.946 8.464 -4.875) 14.671 5.555 ( 8.450 -0.401 8.959) 12.322 5.616 ( 13.360 4.476 -0.203) 14.091 5.859 ( 3.299 -4.456 -4.804) 7.336 5.966 ( -4.258 -5.297 -1.589) 6.979 6.235 ( -2.269 2.833 -3.866) 5.302 6.302 ( 2.490 0.079 -0.588) 2.560 6.407 ( -1.776 6.411 1.654) 6.855 6.510 ( 2.695 1.150 -4.156) 5.085 6.824 ( -5.774 6.349 2.238) 8.869 7.036 ( 3.513 -4.233 -1.404) 5.677 7.170 ( -7.492 -5.477 5.700) 10.891 7.443 ( -1.865 -8.010 -6.344) 10.387 7.677 ( 3.256 -7.349 8.516) 11.711 7.872 ( -0.779 -10.639 -2.481) 10.952 7.941 ( -0.788 -4.654 -6.784) 8.265 8.097 ( -2.568 -2.488 0.080) 3.576 8.279 ( 2.426 -6.150 1.245) 6.727 8.383 ( -2.202 7.876 -0.121) 8.179 8.836 ( -3.227 -1.710 -0.909) 3.764 8.987 ( -0.715 -2.173 2.166) 3.150 9.162 ( -6.367 6.452 0.672) 9.089 9.236 ( -3.190 -2.411 1.348) 4.219 9.513 ( 1.207 9.616 -1.810) 9.859 9.621 ( 5.803 17.790 0.100) 18.713 9.723 ( -3.510 7.897 5.255) 10.114 9.760 ( -3.398 11.871 -0.243) 12.350 10.135 ( -6.704 -2.170 -0.217) 7.049 10.376 ( 5.710 5.650 0.689) 8.062 10.570 ( 0.644 -3.998 -2.556) 4.788 10.702 ( 2.267 1.597 0.892) 2.913 10.864 ( -1.121 -7.864 -0.001) 7.943 11.005 ( -4.889 -4.880 1.550) 7.079 11.122 ( -4.271 -5.871 4.813) 8.710 11.288 ( 0.015 4.665 -5.879) 7.505 11.411 ( -1.856 -8.230 -0.908) 8.486 11.654 ( 2.992 1.911 -2.607) 4.404 11.719 ( 0.998 -7.411 2.938) 8.034 12.002 ( -0.906 0.519 2.628) 2.828 12.123 ( -0.815 -2.935 -0.127) 3.049 12.312 ( 2.223 -2.374 1.986) 3.811 12.419 ( -3.556 -7.062 -8.660) 11.727 12.496 ( 4.209 6.470 -1.848) 7.937 12.605 ( -3.990 1.283 0.111) 4.192 12.705 ( -2.364 -1.289 -0.258) 2.705 12.738 ( 1.886 -4.129 1.022) 4.653 12.848 ( 3.643 -4.484 2.984) 6.502 13.004 ( -5.075 -1.653 -2.033) 5.712 13.320 ( 5.463 -8.545 3.507) 10.731 13.446 ( -2.014 -6.550 -1.842) 7.096 13.718 ( -2.441 4.562 -2.287) 5.657 14.003 ( -0.870 -2.257 2.542) 3.509 14.265 ( 1.090 5.045 -0.861) 5.233 14.354 ( -1.276 0.269 -1.151) 1.740 14.783 ( -1.510 6.752 0.131) 6.920 14.980 ( 10.178 1.475 -4.348) 11.166 15.047 ( -0.502 8.678 -0.179) 8.695 15.315 ( -9.332 1.608 4.022) 10.288 16.334 ( -1.413 2.871 1.798) 3.670 16.602 ( 2.498 1.095 6.212) 6.785 16.703 ( 0.795 -5.071 -4.408) 6.766 16.817 ( 1.908 -3.652 3.694) 5.533 17.054 ( -0.155 -1.534 -0.042) 1.542 17.278 ( 1.256 -4.410 -1.484) 4.820 17.565 ( 0.366 0.244 -1.141) 1.223 17.667 ( -2.251 -2.021 -1.397) 3.332 17.771 ( -1.652 3.302 -2.038) 4.217 18.030 ( 7.632 0.184 -3.132) 8.252 18.125 ( -0.276 -1.207 0.096) 1.242 18.152 ( -0.439 0.631 1.891) 2.042 19.144 ( 1.976 -1.005 1.065) 2.460 19.186 ( 0.752 -1.492 1.874) 2.510 19.443 ( 0.366 5.432 -1.153) 5.565 19.451 ( 0.204 2.973 -1.032) 3.153 22.190 ( -0.101 1.735 -0.567) 1.828 22.376 ( -1.017 -2.189 -1.371) 2.775 22.482 ( -2.966 -1.056 2.030) 3.746 22.624 ( -0.971 -2.856 -0.253) 3.027 27.070 ( 5.175 1.414 8.453) 10.012 27.173 ( 0.076 -0.761 -8.277) 8.312 27.598 ( 3.424 -5.637 8.413) 10.690 27.761 ( 3.981 -10.160 -15.976) 19.347 30.108 ( 0.141 2.523 0.342) 2.550 30.152 ( 0.906 0.973 -0.907) 1.609 30.207 ( 0.060 -1.107 0.815) 1.376 30.314 ( 1.594 -1.896 -0.129) 2.480 31.343 ( -1.520 1.850 -0.169) 2.400 31.556 ( -0.018 4.105 1.047) 4.237 31.718 ( -0.053 -8.393 -0.398) 8.403 31.792 ( 0.451 -3.100 0.333) 3.150 32.222 ( 4.955 10.672 2.034) 11.941 32.452 ( 8.078 17.816 -1.486) 19.618 32.581 ( -5.792 0.668 -5.211) 7.820 32.780 ( -7.103 10.014 1.360) 12.352 32.958 ( -0.382 0.422 -0.068) 0.573 33.005 ( 0.499 1.520 -0.625) 1.717 33.200 ( -0.506 -4.405 -1.578) 4.706 33.349 ( -1.608 -3.405 -2.954) 4.786 34.389 ( 3.247 -5.036 -0.391) 6.005 34.477 ( -3.806 -3.906 -1.692) 5.710 35.494 ( 0.937 4.122 1.932) 4.647 35.789 ( -0.279 -1.059 1.469) 1.832 36.205 ( -0.981 -5.079 23.929) 24.482 36.445 ( -1.915 -9.362 -12.614) 15.825 37.161 ( -0.150 7.526 1.057) 7.601 37.501 ( -0.848 -1.808 -0.145) 2.002======================= Grid point 14 (9/66) =======================q-point: ( 0.00 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 66Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.345 ( 0.000 34.055 0.000) 34.055 1.825 ( 0.000 36.507 0.000) 36.507 2.018 ( 0.000 -28.149 0.000) 28.149 2.244 ( 0.000 22.500 0.000) 22.500 2.420 ( 0.000 -20.398 0.000) 20.398 2.570 ( 0.000 5.645 0.000) 5.645 2.866 ( 0.000 3.469 0.000) 3.469 2.866 ( 0.000 4.859 0.000) 4.859 2.969 ( 0.000 3.800 0.000) 3.800 3.007 ( 0.000 -1.088 0.000) 1.088 3.045 ( 0.000 -0.006 0.000) 0.006 3.115 ( 0.000 -6.332 0.000) 6.332 3.189 ( 0.000 6.546 0.000) 6.546 3.236 ( 0.000 6.464 0.000) 6.464 3.398 ( 0.000 -2.606 0.000) 2.606 3.442 ( 0.000 -6.763 0.000) 6.763 3.936 ( 0.000 16.617 0.000) 16.617 4.172 ( 0.000 7.739 0.000) 7.739 4.265 ( 0.000 -3.514 0.000) 3.514 4.350 ( 0.000 4.132 0.000) 4.132 4.360 ( 0.000 -4.465 0.000) 4.465 4.530 ( 0.000 -20.210 0.000) 20.210 4.742 ( 0.000 12.306 0.000) 12.306 4.757 ( 0.000 -7.155 0.000) 7.155 4.816 ( 0.000 17.473 0.000) 17.473 5.243 ( 0.000 11.431 0.000) 11.431 5.324 ( 0.000 -2.398 0.000) 2.398 5.423 ( 0.000 -17.370 0.000) 17.370 5.703 ( 0.000 0.179 0.000) 0.179 5.762 ( 0.000 -0.067 0.000) 0.067 5.808 ( 0.000 -4.438 0.000) 4.438 5.947 ( 0.000 -12.784 0.000) 12.784 6.425 ( 0.000 3.254 0.000) 3.254 6.508 ( 0.000 -5.567 0.000) 5.567 6.908 ( 0.000 12.074 0.000) 12.074 6.956 ( 0.000 -1.345 0.000) 1.345 6.967 ( 0.000 -3.052 0.000) 3.052 7.201 ( 0.000 -15.751 0.000) 15.751 7.453 ( 0.000 7.602 0.000) 7.602 7.559 ( 0.000 -1.791 0.000) 1.791 7.623 ( 0.000 0.191 0.000) 0.191 7.824 ( 0.000 -18.016 0.000) 18.016 7.955 ( 0.000 0.966 0.000) 0.966 8.069 ( 0.000 -8.547 0.000) 8.547 8.654 ( 0.000 13.658 0.000) 13.658 8.944 ( 0.000 -14.328 0.000) 14.328 9.069 ( 0.000 12.135 0.000) 12.135 9.355 ( 0.000 -13.848 0.000) 13.848 9.573 ( 0.000 7.248 0.000) 7.248 9.619 ( 0.000 -1.048 0.000) 1.048 9.733 ( 0.000 8.080 0.000) 8.080 9.786 ( 0.000 5.391 0.000) 5.391 10.099 ( 0.000 18.206 0.000) 18.206 10.228 ( 0.000 6.105 0.000) 6.105 10.682 ( 0.000 6.675 0.000) 6.675 10.748 ( 0.000 1.464 0.000) 1.464 10.807 ( 0.000 0.704 0.000) 0.704 10.894 ( 0.000 -5.141 0.000) 5.141 11.109 ( 0.000 -3.472 0.000) 3.472 11.125 ( 0.000 -2.477 0.000) 2.477 11.186 ( 0.000 -5.084 0.000) 5.084 11.258 ( 0.000 -14.854 0.000) 14.854 11.611 ( 0.000 1.502 0.000) 1.502 11.700 ( 0.000 -5.740 0.000) 5.740 12.071 ( 0.000 6.216 0.000) 6.216 12.195 ( 0.000 -4.854 0.000) 4.854 12.446 ( 0.000 6.166 0.000) 6.166 12.482 ( 0.000 6.852 0.000) 6.852 12.513 ( 0.000 -1.565 0.000) 1.565 12.587 ( 0.000 -4.819 0.000) 4.819 12.660 ( 0.000 5.999 0.000) 5.999 12.801 ( 0.000 -5.677 0.000) 5.677 13.017 ( 0.000 0.034 0.000) 0.034 13.090 ( 0.000 -5.971 0.000) 5.971 13.817 ( 0.000 16.030 0.000) 16.030 13.980 ( 0.000 -3.152 0.000) 3.152 14.074 ( 0.000 5.003 0.000) 5.003 14.172 ( 0.000 -3.175 0.000) 3.175 14.251 ( 0.000 15.884 0.000) 15.884 14.462 ( 0.000 3.943 0.000) 3.943 14.575 ( 0.000 -6.589 0.000) 6.589 14.704 ( 0.000 -23.545 0.000) 23.545 15.259 ( 0.000 0.901 0.000) 0.901 15.341 ( 0.000 -6.425 0.000) 6.425 16.424 ( 0.000 3.351 0.000) 3.351 16.489 ( 0.000 -2.999 0.000) 2.999 16.545 ( 0.000 6.093 0.000) 6.093 16.663 ( 0.000 -4.768 0.000) 4.768 17.006 ( 0.000 0.421 0.000) 0.421 17.020 ( 0.000 -0.895 0.000) 0.895 17.300 ( 0.000 2.009 0.000) 2.009 17.306 ( 0.000 1.553 0.000) 1.553 17.894 ( 0.000 -0.303 0.000) 0.303 17.897 ( 0.000 -0.330 0.000) 0.330 17.939 ( 0.000 2.024 0.000) 2.024 17.973 ( 0.000 -0.903 0.000) 0.903 18.933 ( 0.000 8.517 0.000) 8.517 19.116 ( 0.000 -8.620 0.000) 8.620 19.348 ( 0.000 1.658 0.000) 1.658 19.379 ( 0.000 -1.160 0.000) 1.160 22.506 ( 0.000 4.493 0.000) 4.493 22.599 ( 0.000 5.184 0.000) 5.184 22.612 ( 0.000 -5.438 0.000) 5.438 22.700 ( 0.000 -4.355 0.000) 4.355 26.798 ( 0.000 7.157 0.000) 7.157 26.878 ( 0.000 6.884 0.000) 6.884 26.953 ( 0.000 -7.379 0.000) 7.379 27.036 ( 0.000 -7.961 0.000) 7.961 30.104 ( 0.000 2.422 0.000) 2.422 30.131 ( 0.000 1.769 0.000) 1.769 30.148 ( 0.000 -1.775 0.000) 1.775 30.171 ( 0.000 -1.819 0.000) 1.819 31.423 ( 0.000 0.809 0.000) 0.809 31.463 ( 0.000 -3.374 0.000) 3.374 31.740 ( 0.000 1.424 0.000) 1.424 31.772 ( 0.000 -1.515 0.000) 1.515 32.287 ( 0.000 14.575 0.000) 14.575 32.382 ( 0.000 15.234 0.000) 15.234 32.577 ( 0.000 -12.457 0.000) 12.457 32.672 ( 0.000 -12.148 0.000) 12.148 33.177 ( 0.000 2.966 0.000) 2.966 33.240 ( 0.000 -3.101 0.000) 3.101 33.411 ( 0.000 6.765 0.000) 6.765 33.579 ( 0.000 -8.881 0.000) 8.881 34.787 ( 0.000 0.077 0.000) 0.077 34.796 ( 0.000 -0.777 0.000) 0.777 35.349 ( 0.000 2.369 0.000) 2.369 35.386 ( 0.000 -1.111 0.000) 1.111 36.092 ( 0.000 13.146 0.000) 13.146 36.386 ( 0.000 -14.815 0.000) 14.815 37.351 ( 0.000 7.645 0.000) 7.645 37.491 ( 0.000 -5.845 0.000) 5.845======================= Grid point 15 (10/66) =======================q-point: ( 0.14 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 106Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.569 ( 15.939 27.239 11.740) 33.673 1.928 ( 5.279 34.898 1.303) 35.320 2.118 ( 7.101 -18.778 -4.025) 20.476 2.282 ( 2.811 11.708 9.496) 15.335 2.529 ( 3.618 -17.154 1.268) 17.577 2.588 ( 8.134 -4.143 0.765) 9.160 2.858 ( 2.722 5.853 0.627) 6.485 2.931 ( 0.645 -1.071 0.826) 1.499 3.016 ( 6.726 4.807 -1.399) 8.385 3.052 ( 3.266 1.664 -1.208) 3.860 3.131 ( 3.772 0.875 1.647) 4.208 3.172 ( 5.056 1.324 2.428) 5.763 3.252 ( 4.578 1.849 0.641) 4.978 3.300 ( 6.390 3.021 5.314) 8.843 3.425 ( 5.522 -3.313 -1.527) 6.619 3.482 ( 3.472 -6.345 1.705) 7.431 3.868 ( -2.786 17.404 -1.261) 17.671 4.210 ( -5.863 -3.259 -6.108) 9.072 4.242 ( 1.599 3.587 2.447) 4.627 4.280 ( 2.038 4.296 -2.818) 5.527 4.420 ( 5.106 -4.395 0.028) 6.737 4.532 ( 0.661 -16.508 0.180) 16.522 4.744 ( 0.017 -1.561 -0.410) 1.614 4.749 ( 1.770 5.485 2.568) 6.310 4.937 ( 7.294 13.024 2.882) 15.203 5.277 ( 1.814 5.388 3.349) 6.598 5.313 ( -2.026 -5.929 2.172) 6.631 5.396 ( 3.404 1.940 -2.375) 4.582 5.714 ( 2.191 3.698 -0.406) 4.317 5.813 ( 2.767 -3.537 -3.686) 5.810 5.924 ( 9.084 -4.113 -2.234) 10.219 6.007 ( 8.018 -10.513 -4.520) 13.973 6.379 ( -4.825 4.631 -1.839) 6.936 6.481 ( -2.134 -5.010 -1.110) 5.558 6.816 ( -5.066 10.947 -2.729) 12.367 6.953 ( 1.009 -1.281 -4.048) 4.364 7.000 ( 0.768 -5.075 -0.304) 5.142 7.075 ( -7.683 -13.769 -4.128) 16.299 7.403 ( -1.140 5.005 -6.261) 8.096 7.577 ( 1.019 -9.574 -5.711) 11.195 7.691 ( 3.086 5.199 9.092) 10.918 7.892 ( 3.213 -7.134 -0.433) 7.836 7.958 ( 0.017 -2.791 6.389) 6.972 8.050 ( -1.266 -10.282 0.596) 10.377 8.670 ( -0.126 12.354 2.270) 12.562 8.922 ( -1.909 -11.968 -0.007) 12.120 9.067 ( -1.293 9.122 -0.957) 9.263 9.270 ( -4.507 -8.460 -2.749) 9.973 9.586 ( 1.233 5.474 1.842) 5.905 9.699 ( -1.543 -1.110 3.062) 3.604 9.709 ( 2.088 9.793 3.185) 10.507 9.830 ( 3.294 3.491 3.874) 6.168 10.096 ( 0.685 20.303 -0.365) 20.318 10.279 ( 5.005 3.407 -2.119) 6.415 10.583 ( -11.703 4.298 6.781) 14.192 10.641 ( -13.845 -1.569 7.596) 15.870 10.726 ( -3.084 3.131 -6.176) 7.580 10.868 ( -1.156 -9.521 -3.991) 10.388 11.069 ( -8.466 1.538 9.867) 13.092 11.170 ( -3.684 -9.472 6.242) 11.927 11.207 ( 6.518 -5.072 -9.472) 12.567 11.222 ( 2.679 -9.067 -7.412) 12.014 11.645 ( 2.348 3.422 1.609) 4.451 11.748 ( 3.130 -5.296 2.592) 6.675 12.016 ( -3.862 4.911 -4.177) 7.516 12.151 ( -3.139 -6.303 -4.408) 8.307 12.445 ( 0.863 5.930 -3.376) 6.878 12.480 ( 2.347 6.090 -5.751) 8.699 12.549 ( 1.038 -1.873 5.738) 6.124 12.590 ( 0.092 -4.252 0.697) 4.309 12.665 ( 0.601 4.289 -2.652) 5.078 12.745 ( -4.168 -2.785 -5.966) 7.792 12.950 ( -5.510 0.880 -3.387) 6.528 13.047 ( -4.349 -5.923 3.382) 8.089 13.618 ( -18.367 9.871 0.210) 20.853 13.696 ( -19.929 2.569 4.360) 20.561 14.006 ( -5.588 4.354 -0.144) 7.086 14.080 ( -5.891 -1.422 -1.215) 6.181 14.288 ( 1.863 6.764 0.300) 7.022 14.429 ( -3.166 -6.011 -7.782) 10.330 14.616 ( 11.814 6.985 -2.104) 13.885 14.815 ( 5.389 -9.235 0.999) 10.739 15.248 ( -2.235 2.539 4.160) 5.362 15.343 ( -1.348 -6.702 4.959) 8.446 16.448 ( -1.642 0.749 7.921) 8.124 16.478 ( -3.352 0.559 5.260) 6.262 16.502 ( -0.389 -0.891 4.054) 4.169 16.561 ( -0.385 -3.681 1.523) 4.002 17.076 ( 3.351 2.381 -4.220) 5.891 17.130 ( 5.251 -2.859 -7.102) 9.284 17.498 ( 17.684 3.005 -6.266) 19.000 17.568 ( 18.171 -3.704 -4.450) 19.071 17.847 ( -2.879 1.639 -1.612) 3.684 17.873 ( -0.208 -1.229 -0.464) 1.330 17.956 ( 2.053 1.454 -0.283) 2.532 17.996 ( 2.388 -2.152 -1.162) 3.419 18.967 ( 2.443 6.295 3.074) 7.419 19.102 ( -1.012 -6.148 2.571) 6.741 19.410 ( 3.852 0.779 0.221) 3.937 19.424 ( 5.101 -0.594 -1.313) 5.300 22.445 ( -6.287 6.430 -2.951) 9.465 22.520 ( -4.625 3.509 -0.226) 5.810 22.584 ( -3.410 -4.339 0.502) 5.541 22.643 ( -5.240 -5.089 2.882) 7.852 26.854 ( 4.633 6.705 2.297) 8.467 26.986 ( 5.312 -5.099 -0.867) 7.414 27.117 ( 20.097 -3.984 -8.237) 22.082 27.148 ( 10.671 -4.923 -1.273) 11.821 30.116 ( 1.016 1.703 0.385) 2.020 30.136 ( 0.747 1.619 -0.283) 1.806 30.158 ( 0.607 -0.854 0.988) 1.440 30.190 ( 1.977 -1.969 -0.834) 2.912 31.418 ( -0.580 1.280 0.753) 1.594 31.469 ( 0.565 -3.631 0.574) 3.719 31.737 ( -0.561 1.216 0.077) 1.342 31.762 ( -0.929 -1.051 -0.151) 1.411 32.306 ( 1.827 14.171 0.538) 14.298 32.450 ( 6.989 15.550 -1.138) 17.086 32.593 ( 1.461 -11.964 -0.037) 12.053 32.749 ( 7.222 -11.482 -0.398) 13.570 33.138 ( -3.359 3.768 -1.272) 5.205 33.211 ( -2.517 -3.035 -1.363) 4.172 33.358 ( -3.293 5.749 -5.974) 8.921 33.499 ( -4.887 -7.253 -9.430) 12.861 34.582 ( -9.052 7.701 -16.834) 20.606 34.692 ( -6.450 -3.570 -8.799) 11.480 35.422 ( 2.429 4.067 11.818) 12.732 35.522 ( 1.103 -6.115 26.814) 27.524 36.087 ( -3.149 11.560 10.066) 15.648 36.363 ( -2.562 -14.474 1.020) 14.734 37.343 ( -0.910 7.640 0.553) 7.714 37.481 ( -1.115 -5.622 0.461) 5.750======================= Grid point 16 (11/66) =======================q-point: ( 0.29 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 106Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.928 ( 5.175 12.379 1.681) 13.522 1.975 ( 7.807 19.409 3.079) 21.145 2.129 ( -1.663 0.633 -4.565) 4.900 2.408 ( 2.201 -11.440 8.541) 14.446 2.578 ( 3.062 2.234 2.638) 4.618 2.807 ( 5.184 -10.542 2.325) 11.975 2.946 ( 2.876 0.694 3.720) 4.753 2.969 ( 5.044 -1.267 6.061) 7.987 3.095 ( 1.749 2.992 -2.388) 4.209 3.137 ( 4.228 -0.267 -2.203) 4.775 3.224 ( 7.355 4.713 -0.239) 8.739 3.290 ( 3.850 -2.341 -0.552) 4.539 3.317 ( 2.563 6.241 3.658) 7.674 3.413 ( 0.946 0.903 7.712) 7.822 3.535 ( -0.709 -7.703 1.813) 7.945 3.582 ( 7.637 -6.668 -1.861) 10.308 3.953 ( 9.554 10.832 5.588) 15.487 4.117 ( 1.264 -4.848 -0.362) 5.023 4.235 ( -0.034 6.283 -3.568) 7.225 4.365 ( -6.368 -5.427 -4.743) 9.618 4.389 ( 3.618 1.936 2.174) 4.644 4.536 ( -2.033 -8.960 0.642) 9.210 4.842 ( 10.922 12.195 -3.540) 16.750 4.963 ( 17.757 -3.014 3.075) 18.272 5.149 ( 14.401 5.713 1.604) 15.576 5.271 ( -0.140 -0.289 2.436) 2.457 5.413 ( 3.544 7.693 11.279) 14.105 5.478 ( 6.062 3.485 -1.615) 7.176 5.736 ( 1.151 3.540 -6.861) 7.805 5.827 ( 2.251 -4.321 -13.686) 14.527 6.058 ( 5.076 6.054 1.319) 8.010 6.154 ( 9.411 -6.212 -8.438) 14.084 6.248 ( -3.659 5.953 -4.325) 8.218 6.416 ( -3.986 -5.789 1.205) 7.131 6.728 ( -2.657 7.572 -5.044) 9.478 6.875 ( -0.226 -6.847 -9.907) 12.045 6.983 ( -3.217 -0.517 6.677) 7.430 7.057 ( 0.956 -9.798 9.877) 13.945 7.339 ( -1.496 4.393 -7.343) 8.687 7.522 ( -1.771 -11.120 -12.048) 16.491 7.753 ( -0.166 3.754 3.429) 5.087 7.922 ( -0.797 -5.058 -3.007) 5.938 8.011 ( 2.917 -1.371 3.644) 4.865 8.064 ( -0.047 -10.505 7.870) 13.126 8.651 ( -2.816 11.234 1.190) 11.643 8.859 ( -4.277 -8.034 -1.204) 9.181 9.019 ( -2.733 4.988 0.524) 5.712 9.169 ( -5.709 -8.433 -0.063) 10.184 9.578 ( -6.979 11.270 3.356) 13.674 9.657 ( 0.614 4.640 0.464) 4.704 9.793 ( 2.271 6.067 2.651) 6.999 9.893 ( -0.474 6.208 3.720) 7.253 10.160 ( 5.122 18.419 1.584) 19.184 10.315 ( -13.887 0.539 6.579) 15.376 10.355 ( -0.762 2.277 -1.421) 2.790 10.501 ( -1.050 -6.052 4.855) 7.829 10.619 ( -3.564 0.089 -2.725) 4.487 10.824 ( -0.189 -12.965 -6.564) 14.533 10.929 ( -7.906 1.316 0.443) 8.027 11.040 ( -10.515 -12.437 7.261) 17.832 11.269 ( 2.344 -1.950 -0.495) 3.089 11.291 ( 5.414 -2.671 -6.309) 8.732 11.686 ( 0.542 7.278 0.683) 7.330 11.794 ( -0.015 2.647 0.262) 2.660 11.920 ( -3.775 -3.949 1.258) 5.607 12.057 ( -1.710 -9.026 -7.000) 11.550 12.407 ( -4.596 8.147 -2.657) 9.724 12.495 ( 1.544 4.485 -8.659) 9.873 12.558 ( -1.797 -2.473 0.290) 3.070 12.600 ( -1.219 0.180 -3.845) 4.037 12.629 ( 2.352 -3.025 0.837) 3.922 12.650 ( -1.173 -5.429 -3.705) 6.677 12.836 ( -4.585 5.048 0.788) 6.865 12.994 ( -3.298 -7.601 3.673) 9.063 13.312 ( -10.538 6.654 2.507) 12.712 13.435 ( -10.083 -4.568 0.748) 11.094 13.901 ( -4.274 4.620 -1.171) 6.402 13.979 ( -3.894 -2.722 1.475) 4.975 14.322 ( 1.698 2.437 -1.262) 3.227 14.356 ( -0.705 -2.069 -4.072) 4.622 14.839 ( 11.381 6.360 -3.186) 13.421 14.903 ( 3.604 0.605 -0.379) 3.674 15.227 ( -2.745 5.035 5.997) 8.297 15.347 ( -2.262 -6.209 7.376) 9.903 16.425 ( -1.601 3.457 4.955) 6.250 16.507 ( 1.102 -2.866 5.183) 6.024 16.587 ( 4.759 -1.893 3.201) 6.040 16.621 ( 3.946 -3.218 -1.351) 5.268 17.086 ( 0.195 2.922 -2.194) 3.659 17.163 ( 2.182 -4.234 -4.500) 6.553 17.631 ( -0.854 2.629 -3.626) 4.560 17.684 ( -1.041 -2.326 -2.974) 3.916 17.858 ( 2.705 2.505 -2.504) 4.457 17.897 ( 3.423 -0.775 0.664) 3.572 18.047 ( 5.932 0.320 -1.229) 6.067 18.079 ( 7.357 -2.779 -3.475) 8.598 19.055 ( 4.031 2.755 3.854) 6.221 19.123 ( 0.974 -3.357 3.509) 4.953 19.479 ( 3.276 1.985 -1.351) 4.062 19.500 ( 3.284 0.347 -2.974) 4.444 22.306 ( -5.362 5.588 -0.524) 7.762 22.409 ( -6.218 -2.931 -0.843) 6.926 22.518 ( -2.994 0.421 1.685) 3.461 22.582 ( -2.402 -4.241 0.372) 4.888 26.984 ( 6.060 5.117 4.452) 9.095 27.088 ( 5.251 -4.546 -0.835) 6.995 27.361 ( 10.480 -1.517 -1.103) 10.646 27.425 ( 15.446 -8.536 -11.766) 21.210 30.140 ( 0.743 1.283 1.269) 1.951 30.158 ( 1.963 0.937 -1.905) 2.891 30.178 ( 0.432 0.611 1.809) 1.957 30.228 ( 2.198 -2.559 -0.753) 3.456 31.414 ( -0.220 2.860 0.658) 2.943 31.496 ( 1.696 -4.540 1.013) 4.951 31.708 ( -2.399 1.606 -0.001) 2.887 31.743 ( -0.851 -1.561 -0.122) 1.782 32.363 ( 3.257 12.652 1.761) 13.182 32.583 ( 4.277 -1.008 -3.214) 5.445 32.650 ( 6.709 7.561 0.355) 10.115 32.893 ( 7.082 -7.743 -2.578) 10.806 33.050 ( -4.012 4.757 -1.703) 6.452 33.123 ( -5.341 -0.930 -3.076) 6.233 33.236 ( -4.540 3.139 -6.902) 8.837 33.331 ( -5.246 -5.511 -7.972) 11.021 34.374 ( -5.123 5.746 -5.147) 9.260 34.507 ( -7.340 -5.955 -5.297) 10.835 35.536 ( 1.961 5.663 10.144) 11.782 35.666 ( 0.399 -6.771 15.939) 17.322 36.103 ( -2.246 7.007 13.334) 15.230 36.309 ( -2.776 -12.179 -0.829) 12.519 37.327 ( -1.030 7.383 0.853) 7.503 37.457 ( -1.458 -5.077 0.411) 5.298======================= Grid point 17 (12/66) =======================q-point: ( 0.43 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 106Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.912 ( 0.860 -0.719 -4.480) 4.618 1.981 ( -4.508 -4.795 -0.096) 6.582 2.262 ( 7.801 7.910 3.938) 11.787 2.434 ( -2.329 -8.525 0.975) 8.891 2.650 ( 2.113 9.273 2.403) 9.810 2.816 ( -1.324 -4.573 -0.627) 4.802 3.076 ( 4.689 1.928 6.080) 7.917 3.084 ( 3.097 1.013 2.857) 4.333 3.105 ( 0.597 1.251 -0.823) 1.612 3.159 ( -0.138 -1.623 -1.367) 2.126 3.287 ( 0.152 -0.852 0.675) 1.098 3.305 ( -1.013 0.435 -0.154) 1.113 3.368 ( 1.487 -0.669 -3.292) 3.673 3.411 ( -4.296 -5.629 0.283) 7.087 3.598 ( 7.004 -0.089 6.724) 9.709 3.722 ( 4.873 -10.311 -1.900) 11.562 4.093 ( -2.698 2.369 -4.012) 5.384 4.135 ( 3.187 -0.518 3.710) 4.919 4.232 ( -2.555 2.144 1.778) 3.780 4.284 ( 2.358 -0.806 1.553) 2.936 4.412 ( -1.579 0.918 4.548) 4.901 4.491 ( -1.163 -4.799 -4.980) 7.013 5.110 ( 16.810 16.876 0.102) 23.820 5.258 ( 0.970 8.881 -0.004) 8.934 5.273 ( 8.105 -1.329 4.654) 9.441 5.379 ( -4.573 -0.404 4.798) 6.641 5.571 ( 7.400 8.926 1.431) 11.682 5.602 ( 6.330 4.324 -6.137) 9.820 5.690 ( 0.217 -0.072 -1.590) 1.606 5.726 ( -0.871 -6.014 -11.876) 13.340 6.079 ( -2.230 15.984 1.007) 16.171 6.251 ( 3.770 0.043 -3.081) 4.869 6.260 ( 2.761 -2.784 -1.287) 4.127 6.401 ( 1.896 -7.513 1.418) 7.877 6.659 ( -1.133 10.151 -2.916) 10.622 6.859 ( 0.466 -8.807 -2.736) 9.234 6.980 ( -0.896 6.453 7.385) 9.848 7.150 ( 1.826 -3.270 9.007) 9.754 7.261 ( -1.443 -3.526 -9.934) 10.640 7.415 ( -1.174 -12.854 -5.717) 14.117 7.732 ( -3.304 0.426 -0.249) 3.341 7.841 ( -2.722 -7.223 -1.809) 7.928 8.066 ( 0.195 0.315 2.267) 2.297 8.130 ( 2.500 -5.878 2.308) 6.791 8.597 ( -2.156 10.743 0.080) 10.958 8.767 ( -3.507 -5.275 -0.719) 6.375 8.976 ( -1.701 1.775 1.186) 2.730 9.066 ( -3.799 -6.410 0.642) 7.479 9.468 ( -3.897 13.325 1.150) 13.931 9.646 ( -1.252 -1.869 -0.487) 2.302 9.800 ( -1.071 7.100 1.649) 7.367 9.906 ( 0.134 1.825 -0.415) 1.876 10.112 ( -6.402 14.331 5.087) 16.499 10.220 ( -0.810 14.605 1.130) 14.671 10.423 ( 6.892 -5.917 -2.033) 9.308 10.549 ( 1.202 8.993 1.074) 9.137 10.660 ( 6.689 -11.063 3.278) 13.338 10.731 ( -5.381 -3.197 -2.363) 6.690 10.828 ( -2.333 -7.158 -6.559) 9.985 10.882 ( -7.656 -14.793 4.924) 17.370 11.293 ( 0.432 -0.129 0.425) 0.619 11.334 ( 1.357 -1.130 -1.267) 2.173 11.684 ( -0.102 6.191 -0.109) 6.193 11.786 ( -0.218 7.183 -0.003) 7.187 11.910 ( 2.405 -9.425 0.848) 9.764 11.993 ( -3.358 -13.681 -2.305) 14.274 12.257 ( -5.639 11.010 -2.235) 12.570 12.474 ( 1.060 6.138 -4.445) 7.652 12.517 ( -1.295 -9.397 -1.230) 9.565 12.598 ( 0.040 2.038 -1.184) 2.357 12.608 ( -0.637 -4.121 -0.460) 4.195 12.704 ( 3.023 -8.936 0.185) 9.435 12.789 ( -0.476 6.559 1.957) 6.861 12.934 ( -4.228 -6.053 1.263) 7.491 13.226 ( -1.340 1.205 1.712) 2.486 13.305 ( -3.213 -5.842 -0.588) 6.693 13.839 ( -1.448 6.034 -0.675) 6.242 13.943 ( -0.948 -3.883 0.878) 4.092 14.328 ( 0.402 1.681 -1.146) 2.074 14.353 ( 0.753 -0.680 -1.064) 1.470 14.933 ( 0.948 5.925 0.411) 6.014 14.997 ( 4.463 -0.514 -2.403) 5.095 15.232 ( 0.635 7.901 3.101) 8.512 15.331 ( -2.629 -1.257 3.555) 4.596 16.436 ( 0.319 6.525 0.737) 6.575 16.560 ( 1.011 -4.675 4.264) 6.408 16.643 ( 1.274 -0.524 -3.679) 3.929 16.694 ( 2.090 -5.975 2.906) 6.965 17.074 ( -0.161 3.122 -0.925) 3.260 17.168 ( 0.394 -5.549 -1.697) 5.816 17.584 ( -0.994 1.612 -1.293) 2.293 17.624 ( -2.263 -2.069 -1.162) 3.279 17.860 ( 0.003 5.112 -0.327) 5.122 17.970 ( 1.963 -5.036 0.463) 5.425 18.136 ( 3.478 1.622 -2.090) 4.370 18.159 ( 1.761 -0.365 -0.201) 1.810 19.140 ( 2.258 0.558 1.771) 2.924 19.160 ( 0.592 -1.179 1.921) 2.330 19.511 ( 0.955 2.253 -1.191) 2.721 19.521 ( 0.791 1.648 -1.810) 2.572 22.241 ( -1.432 3.137 -0.080) 3.450 22.313 ( -2.782 -3.624 0.200) 4.573 22.486 ( -0.966 1.821 0.353) 2.091 22.550 ( -0.855 -3.842 -0.110) 3.938 27.110 ( 3.372 2.277 4.779) 6.276 27.151 ( 1.702 -1.453 -2.829) 3.607 27.505 ( 3.916 -1.725 0.833) 4.360 27.563 ( 4.958 -7.227 -6.551) 10.942 30.156 ( 0.297 1.579 0.557) 1.701 30.180 ( 1.243 -0.572 -1.693) 2.177 30.191 ( -0.168 2.320 1.635) 2.843 30.258 ( 0.993 -3.302 -0.277) 3.459 31.416 ( 0.037 4.979 0.216) 4.984 31.538 ( 1.662 -6.473 0.578) 6.708 31.660 ( -1.917 3.261 -0.001) 3.782 31.728 ( -0.511 -3.133 -0.093) 3.176 32.446 ( 3.342 9.578 2.738) 10.507 32.576 ( -1.580 -2.522 -2.687) 4.009 32.811 ( 8.705 14.118 -2.579) 16.786 32.938 ( -0.809 0.227 -1.045) 1.341 32.963 ( -5.870 4.270 -1.638) 7.441 33.052 ( 2.217 -1.001 0.097) 2.435 33.124 ( -3.879 0.808 -2.927) 4.926 33.239 ( -1.530 -7.032 -1.802) 7.419 34.310 ( -0.171 -0.915 -0.647) 1.134 34.369 ( -4.401 -5.498 -1.360) 7.173 35.605 ( 0.761 6.238 3.731) 7.308 35.729 ( 0.112 -5.029 4.386) 6.673 36.150 ( -0.387 1.125 9.104) 9.182 36.253 ( -1.332 -8.082 -3.661) 8.972 37.316 ( -0.422 6.914 0.456) 6.941 37.436 ( -0.682 -4.556 0.111) 4.608======================= Grid point 35 (13/66) =======================q-point: ( 0.00 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 63Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.769 ( 18.435 0.000 35.251) 39.781 0.829 ( 0.471 0.000 38.932) 38.935 1.512 ( -2.682 0.000 66.582) 66.636 1.836 ( 5.813 0.000 17.425) 18.368 2.649 ( -5.157 0.000 1.203) 5.295 2.719 ( 4.754 0.000 -3.263) 5.766 2.844 ( -4.426 0.000 2.475) 5.071 2.869 ( -1.083 0.000 3.959) 4.105 2.982 ( -0.743 0.000 7.707) 7.743 3.042 ( -7.708 0.000 2.473) 8.095 3.125 ( 0.736 0.000 3.893) 3.962 3.204 ( 1.204 0.000 2.641) 2.902 3.251 ( -7.704 0.000 6.239) 9.913 3.297 ( -0.769 0.000 -4.090) 4.162 3.364 ( 0.784 0.000 3.469) 3.557 3.610 ( -5.550 0.000 6.235) 8.347 3.613 ( -0.419 0.000 4.144) 4.165 3.685 ( -3.967 0.000 -0.423) 3.990 4.054 ( -3.430 0.000 -6.450) 7.305 4.306 ( -2.218 0.000 -0.230) 2.230 4.356 ( 9.618 0.000 3.058) 10.092 4.466 ( 10.172 0.000 -10.031) 14.286 4.603 ( 6.910 0.000 -6.761) 9.668 4.706 ( 1.146 0.000 -9.563) 9.631 4.787 ( -4.889 0.000 -8.177) 9.527 5.346 ( -0.785 0.000 -0.394) 0.879 5.552 ( -12.447 0.000 30.009) 32.487 5.600 ( 4.082 0.000 -5.692) 7.005 5.807 ( 3.227 0.000 4.838) 5.815 5.928 ( -10.434 0.000 3.991) 11.172 6.051 ( 3.265 0.000 -10.103) 10.617 6.077 ( -0.964 0.000 -16.036) 16.065 6.201 ( 4.198 0.000 -1.998) 4.649 6.535 ( -9.051 0.000 1.801) 9.228 6.683 ( 7.661 0.000 0.173) 7.663 7.011 ( -7.428 0.000 -7.740) 10.728 7.021 ( 1.340 0.000 -3.998) 4.217 7.350 ( 13.361 0.000 4.291) 14.033 7.807 ( 1.174 0.000 1.331) 1.775 7.814 ( 0.739 0.000 4.861) 4.917 7.986 ( 0.793 0.000 -1.343) 1.559 8.047 ( -0.231 0.000 -5.129) 5.134 8.283 ( 0.863 0.000 0.959) 1.290 8.287 ( -10.503 0.000 -4.635) 11.480 8.397 ( -1.329 0.000 7.208) 7.330 8.604 ( 2.831 0.000 -7.828) 8.324 8.961 ( 4.835 0.000 0.891) 4.917 9.130 ( 1.317 0.000 -10.539) 10.621 9.371 ( -1.334 0.000 -4.042) 4.256 9.389 ( -6.689 0.000 -7.470) 10.027 9.514 ( -0.705 0.000 1.955) 2.078 9.613 ( 11.262 0.000 1.330) 11.341 9.641 ( 3.266 0.000 -0.651) 3.331 9.922 ( -0.453 0.000 -0.811) 0.929 10.469 ( 3.995 0.000 -25.087) 25.403 10.478 ( 1.390 0.000 -6.121) 6.277 10.775 ( 6.439 0.000 7.403) 9.811 10.795 ( 5.915 0.000 0.182) 5.918 11.195 ( -4.177 0.000 0.700) 4.235 11.344 ( -6.404 0.000 9.733) 11.650 11.643 ( 1.825 0.000 12.902) 13.031 11.722 ( -3.435 0.000 3.895) 5.193 11.786 ( 1.965 0.000 -5.962) 6.278 11.804 ( 15.914 0.000 -4.680) 16.588 11.923 ( 1.507 0.000 -4.952) 5.176 11.959 ( -8.282 0.000 2.006) 8.521 12.313 ( -0.739 0.000 -1.141) 1.359 12.323 ( 0.022 0.000 1.368) 1.368 12.380 ( 4.438 0.000 0.671) 4.489 12.555 ( -4.195 0.000 -1.623) 4.498 12.819 ( 3.357 0.000 5.784) 6.688 12.904 ( -4.753 0.000 14.225) 14.998 13.008 ( -1.949 0.000 -3.935) 4.391 13.187 ( -0.056 0.000 -3.254) 3.254 13.278 ( -2.295 0.000 2.432) 3.344 13.894 ( 1.264 0.000 -8.920) 9.009 13.975 ( 0.809 0.000 -2.426) 2.558 14.233 ( -1.145 0.000 4.083) 4.241 14.405 ( -8.726 0.000 4.436) 9.789 14.691 ( -29.642 0.000 2.240) 29.726 14.884 ( -0.502 0.000 1.901) 1.966 15.018 ( 7.973 0.000 -20.992) 22.455 15.338 ( -6.504 0.000 -8.398) 10.622 15.429 ( 7.325 0.000 -10.789) 13.040 16.272 ( -10.353 0.000 -9.175) 13.833 16.376 ( -0.459 0.000 -2.150) 2.199 16.466 ( 6.352 0.000 -3.041) 7.043 16.585 ( -24.455 0.000 -6.656) 25.345 17.110 ( -1.756 0.000 8.200) 8.386 17.296 ( 7.009 0.000 11.898) 13.809 17.297 ( -3.642 0.000 7.609) 8.436 17.444 ( 7.856 0.000 21.307) 22.709 17.823 ( -1.593 0.000 2.246) 2.753 17.902 ( -2.148 0.000 -1.059) 2.395 18.034 ( 2.064 0.000 5.187) 5.583 18.066 ( -13.752 0.000 7.855) 15.837 18.698 ( 6.535 0.000 -3.689) 7.505 19.189 ( 4.265 0.000 -6.170) 7.501 19.279 ( -0.739 0.000 -2.499) 2.606 19.332 ( 2.952 0.000 -3.954) 4.934 22.220 ( -3.323 0.000 4.814) 5.849 22.462 ( 2.666 0.000 1.240) 2.940 22.804 ( -1.330 0.000 2.684) 2.996 22.854 ( 3.935 0.000 1.779) 4.319 26.653 ( 3.406 0.000 2.003) 3.951 26.894 ( -50.916 0.000 -1.571) 50.940 27.115 ( -4.926 0.000 1.191) 5.068 27.242 ( 4.608 0.000 -0.246) 4.614 30.037 ( 0.947 0.000 -1.976) 2.191 30.065 ( 2.950 0.000 -2.401) 3.803 30.121 ( -0.934 0.000 -1.152) 1.483 30.163 ( 1.213 0.000 -1.837) 2.202 31.502 ( 5.139 0.000 1.504) 5.355 31.598 ( -3.325 0.000 1.534) 3.662 31.728 ( 0.657 0.000 0.544) 0.854 31.776 ( 2.627 0.000 -1.126) 2.858 31.849 ( -1.894 0.000 2.230) 2.926 31.860 ( -0.669 0.000 2.468) 2.558 32.842 ( -8.050 0.000 0.252) 8.054 32.882 ( 1.246 0.000 -1.392) 1.868 32.974 ( -0.467 0.000 2.452) 2.496 33.097 ( -1.045 0.000 -0.285) 1.084 33.264 ( -1.075 0.000 -2.053) 2.317 33.428 ( 4.376 0.000 -4.458) 6.247 33.914 ( 6.802 0.000 7.653) 10.239 34.761 ( -4.770 0.000 -5.913) 7.597 35.268 ( 5.213 0.000 -0.521) 5.239 35.640 ( 8.076 0.000 -10.865) 13.537 36.551 ( 9.320 0.000 10.854) 14.306 37.003 ( 3.602 0.000 0.177) 3.607 37.642 ( -1.158 0.000 4.450) 4.598 38.170 ( 3.057 0.000 -3.639) 4.753======================= Grid point 36 (14/66) =======================q-point: ( 0.14 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 63Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.386 ( 28.858 0.000 28.924) 40.858 1.507 ( 28.088 0.000 31.228) 42.001 2.079 ( 4.339 0.000 22.580) 22.993 2.088 ( 23.238 0.000 48.706) 53.965 2.595 ( -7.214 0.000 7.231) 10.215 2.808 ( 3.245 0.000 -6.427) 7.199 2.835 ( 5.544 0.000 -3.657) 6.641 2.888 ( -3.760 0.000 5.962) 7.049 3.002 ( 6.983 0.000 5.890) 9.135 3.084 ( 5.893 0.000 3.551) 6.880 3.131 ( -0.023 0.000 2.749) 2.749 3.211 ( -1.509 0.000 -0.018) 1.510 3.301 ( 3.029 0.000 -2.079) 3.674 3.410 ( 10.212 0.000 13.785) 17.156 3.461 ( 6.898 0.000 7.972) 10.542 3.674 ( 2.250 0.000 7.954) 8.266 3.693 ( 10.497 0.000 3.060) 10.934 3.816 ( 18.299 0.000 -2.968) 18.538 4.031 ( 5.164 0.000 -2.454) 5.717 4.229 ( -3.316 0.000 -3.920) 5.134 4.476 ( 1.193 0.000 -17.135) 17.177 4.565 ( 4.299 0.000 -15.539) 16.123 4.624 ( 5.520 0.000 3.279) 6.420 4.632 ( -3.204 0.000 -13.454) 13.830 4.738 ( 11.084 0.000 -13.100) 17.160 5.215 ( -10.266 0.000 -9.254) 13.821 5.417 ( -23.405 0.000 17.104) 28.989 5.662 ( 1.886 0.000 1.117) 2.192 5.682 ( -6.505 0.000 14.853) 16.215 5.844 ( -6.161 0.000 -16.137) 17.273 5.933 ( 3.304 0.000 1.939) 3.831 6.073 ( 1.329 0.000 -6.944) 7.070 6.342 ( 6.059 0.000 6.273) 8.722 6.439 ( -1.860 0.000 -2.994) 3.525 6.711 ( -7.823 0.000 3.506) 8.573 6.874 ( 0.216 0.000 -3.094) 3.101 6.980 ( -3.374 0.000 -2.023) 3.935 7.624 ( 10.498 0.000 9.151) 13.926 7.795 ( -9.761 0.000 6.108) 11.514 7.808 ( -1.358 0.000 -10.429) 10.517 7.896 ( -4.227 0.000 -3.788) 5.676 8.008 ( 0.195 0.000 0.527) 0.562 8.064 ( -6.837 0.000 -8.950) 11.263 8.308 ( 1.391 0.000 -1.790) 2.267 8.406 ( -2.291 0.000 6.937) 7.306 8.625 ( 4.271 0.000 -8.466) 9.482 9.077 ( 0.334 0.000 -11.731) 11.736 9.117 ( 9.647 0.000 -1.134) 9.713 9.285 ( -1.112 0.000 -4.627) 4.759 9.329 ( -0.268 0.000 -1.513) 1.537 9.589 ( 4.969 0.000 1.871) 5.309 9.697 ( 0.428 0.000 2.072) 2.115 9.802 ( 1.427 0.000 -3.987) 4.234 9.889 ( 3.722 0.000 1.733) 4.105 10.403 ( 5.504 0.000 -25.762) 26.343 10.414 ( -3.983 0.000 -5.710) 6.962 10.734 ( -9.597 0.000 0.406) 9.605 10.857 ( -1.915 0.000 -1.498) 2.431 11.259 ( 5.898 0.000 -0.574) 5.926 11.286 ( -4.954 0.000 15.242) 16.027 11.628 ( -7.786 0.000 5.528) 9.549 11.649 ( -7.731 0.000 11.394) 13.769 11.761 ( -1.294 0.000 -2.762) 3.050 11.807 ( -5.193 0.000 4.609) 6.943 11.966 ( 2.309 0.000 -0.597) 2.384 12.180 ( 19.675 0.000 -13.477) 23.848 12.302 ( -0.896 0.000 -1.248) 1.536 12.357 ( 2.894 0.000 4.046) 4.975 12.437 ( 0.010 0.000 1.710) 1.710 12.464 ( -2.339 0.000 -1.502) 2.780 12.898 ( -4.416 0.000 0.946) 4.516 12.945 ( -0.552 0.000 8.832) 8.850 12.954 ( 6.698 0.000 8.798) 11.058 13.103 ( -10.388 0.000 -2.320) 10.644 13.225 ( -5.616 0.000 3.461) 6.597 13.594 ( -24.923 0.000 5.188) 25.457 13.939 ( -14.236 0.000 5.227) 15.165 14.004 ( 4.015 0.000 -2.669) 4.821 14.239 ( -2.594 0.000 4.624) 5.302 14.332 ( 0.961 0.000 -2.315) 2.507 14.729 ( -9.504 0.000 -7.962) 12.398 14.814 ( -7.238 0.000 0.727) 7.275 15.198 ( -3.355 0.000 5.592) 6.521 15.494 ( 4.035 0.000 -7.212) 8.264 16.408 ( 4.731 0.000 -0.343) 4.743 16.416 ( 6.267 0.000 -9.678) 11.530 16.614 ( 8.403 0.000 -0.696) 8.432 16.650 ( 13.501 0.000 -15.647) 20.666 17.142 ( -0.711 0.000 9.992) 10.017 17.290 ( -0.999 0.000 5.909) 5.993 17.326 ( 6.825 0.000 -0.221) 6.828 17.670 ( -7.538 0.000 8.125) 11.083 17.794 ( -2.844 0.000 2.572) 3.835 17.964 ( 0.954 0.000 1.668) 1.921 18.002 ( 8.398 0.000 2.806) 8.855 18.106 ( 2.063 0.000 6.119) 6.458 18.860 ( 11.244 0.000 -3.784) 11.864 19.228 ( -0.415 0.000 -2.606) 2.639 19.245 ( 2.484 0.000 -6.483) 6.943 19.354 ( 1.737 0.000 -3.684) 4.073 22.189 ( -2.073 0.000 3.084) 3.716 22.464 ( -3.227 0.000 3.354) 4.654 22.767 ( -3.606 0.000 2.118) 4.182 22.838 ( -5.796 0.000 2.516) 6.319 26.803 ( 9.192 0.000 6.310) 11.149 26.870 ( 24.727 0.000 -17.792) 30.463 27.069 ( 0.030 0.000 -2.102) 2.102 27.413 ( 11.405 0.000 3.648) 11.974 30.045 ( 1.514 0.000 -3.326) 3.654 30.072 ( -0.198 0.000 -1.392) 1.406 30.159 ( 4.758 0.000 -1.887) 5.119 30.184 ( 1.821 0.000 -1.284) 2.228 31.510 ( -5.656 0.000 0.053) 5.656 31.563 ( 0.398 0.000 1.980) 2.019 31.783 ( 3.286 0.000 1.016) 3.440 31.845 ( 1.907 0.000 1.042) 2.173 31.848 ( 6.017 0.000 -1.414) 6.181 31.883 ( 0.213 0.000 3.445) 3.452 32.765 ( -3.462 0.000 -0.677) 3.528 32.868 ( -2.256 0.000 -0.939) 2.443 32.984 ( 0.022 0.000 2.664) 2.664 33.044 ( -3.280 0.000 0.462) 3.312 33.234 ( -0.472 0.000 -1.720) 1.784 33.408 ( -1.026 0.000 -7.130) 7.203 34.156 ( 11.045 0.000 5.901) 12.522 34.618 ( -5.161 0.000 -7.492) 9.098 35.356 ( 3.925 0.000 -0.713) 3.989 35.674 ( 3.488 0.000 -11.686) 12.196 36.571 ( -6.663 0.000 0.923) 6.726 37.064 ( 1.821 0.000 1.276) 2.224 37.631 ( -2.776 0.000 4.752) 5.503 37.673 ( -37.945 0.000 25.283) 45.597======================= Grid point 37 (15/66) =======================q-point: ( 0.29 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 63Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.103 ( 24.935 0.000 20.886) 32.527 2.107 ( 15.307 0.000 29.713) 33.424 2.219 ( -2.505 0.000 14.898) 15.107 2.476 ( -7.117 0.000 19.040) 20.326 2.697 ( 5.305 0.000 7.669) 9.326 2.795 ( 1.939 0.000 4.427) 4.833 2.961 ( 7.377 0.000 -3.570) 8.195 2.979 ( 11.358 0.000 6.001) 12.846 3.100 ( -0.579 0.000 3.170) 3.223 3.157 ( -3.553 0.000 2.331) 4.249 3.210 ( 5.572 0.000 -1.551) 5.784 3.261 ( 11.619 0.000 12.029) 16.724 3.396 ( 7.332 0.000 1.544) 7.493 3.643 ( 4.730 0.000 13.598) 14.397 3.741 ( 13.752 0.000 9.591) 16.767 3.834 ( 3.557 0.000 -0.814) 3.649 3.876 ( 16.279 0.000 1.986) 16.400 4.036 ( 0.251 0.000 -5.794) 5.800 4.216 ( 9.723 0.000 -11.761) 15.260 4.257 ( 4.931 0.000 -2.626) 5.587 4.341 ( -6.569 0.000 -22.707) 23.638 4.357 ( -0.066 0.000 -15.321) 15.321 4.549 ( -2.110 0.000 -9.929) 10.150 4.898 ( -17.728 0.000 8.853) 19.815 4.963 ( 14.964 0.000 3.593) 15.389 5.006 ( 14.371 0.000 -6.894) 15.939 5.033 ( 5.134 0.000 -1.998) 5.509 5.551 ( -12.149 0.000 4.420) 12.928 5.754 ( 2.422 0.000 -10.591) 10.864 5.772 ( 0.795 0.000 20.428) 20.444 5.959 ( -0.374 0.000 -5.043) 5.057 6.063 ( 3.075 0.000 -11.319) 11.729 6.397 ( 0.329 0.000 -5.866) 5.875 6.412 ( -5.292 0.000 10.369) 11.642 6.554 ( -9.017 0.000 8.620) 12.474 6.894 ( -4.272 0.000 -0.358) 4.287 6.959 ( 7.218 0.000 5.914) 9.332 7.554 ( -13.637 0.000 -9.105) 16.397 7.647 ( -3.638 0.000 -17.167) 17.548 7.725 ( -12.333 0.000 8.086) 14.747 7.864 ( 7.447 0.000 7.980) 10.915 8.003 ( 4.704 0.000 -8.080) 9.349 8.048 ( 1.566 0.000 1.585) 2.228 8.302 ( -0.897 0.000 1.233) 1.524 8.397 ( -1.344 0.000 1.514) 2.025 8.666 ( 5.194 0.000 -9.281) 10.636 9.011 ( -1.030 0.000 -9.435) 9.491 9.230 ( -3.750 0.000 -2.378) 4.440 9.281 ( 7.836 0.000 -3.389) 8.537 9.347 ( 1.747 0.000 1.435) 2.261 9.573 ( -6.948 0.000 1.215) 7.053 9.631 ( -10.846 0.000 -3.339) 11.349 9.753 ( 2.377 0.000 4.875) 5.424 10.065 ( 9.441 0.000 -2.211) 9.696 10.261 ( -7.824 0.000 -5.095) 9.337 10.389 ( 7.903 0.000 -24.501) 25.744 10.543 ( -6.982 0.000 -3.674) 7.890 10.767 ( -0.371 0.000 -8.560) 8.568 11.259 ( -8.597 0.000 6.966) 11.065 11.259 ( -5.900 0.000 -2.619) 6.456 11.522 ( -5.850 0.000 7.926) 9.851 11.635 ( 2.620 0.000 8.484) 8.879 11.728 ( -3.816 0.000 9.016) 9.791 11.831 ( 2.632 0.000 7.178) 7.646 11.954 ( -1.816 0.000 -1.937) 2.655 12.276 ( -6.272 0.000 0.494) 6.291 12.290 ( -4.039 0.000 3.328) 5.233 12.343 ( 4.633 0.000 0.377) 4.649 12.457 ( 4.960 0.000 2.517) 5.562 12.576 ( 7.553 0.000 -5.639) 9.426 12.827 ( -1.714 0.000 0.132) 1.719 12.844 ( -10.804 0.000 -1.273) 10.878 13.027 ( 0.354 0.000 4.858) 4.871 13.122 ( -6.281 0.000 11.032) 12.694 13.201 ( 12.893 0.000 7.902) 15.122 13.494 ( 4.321 0.000 0.819) 4.398 13.759 ( -8.404 0.000 1.829) 8.601 14.078 ( 4.408 0.000 -1.649) 4.707 14.204 ( -4.280 0.000 3.650) 5.625 14.391 ( 4.532 0.000 -6.152) 7.641 14.542 ( -4.805 0.000 -9.767) 10.885 14.672 ( -2.634 0.000 -3.377) 4.283 15.166 ( -4.123 0.000 9.278) 10.153 15.469 ( -3.481 0.000 -4.427) 5.632 16.374 ( -3.743 0.000 -4.213) 5.635 16.514 ( 4.694 0.000 -0.769) 4.756 16.743 ( 5.096 0.000 -12.842) 13.816 16.752 ( 5.308 0.000 2.702) 5.956 17.174 ( -2.135 0.000 8.528) 8.791 17.340 ( 2.117 0.000 6.425) 6.765 17.503 ( 8.873 0.000 -9.621) 13.088 17.610 ( 0.648 0.000 7.742) 7.769 17.751 ( -2.960 0.000 2.996) 4.211 17.920 ( -2.776 0.000 2.895) 4.011 18.166 ( 4.298 0.000 1.804) 4.661 18.182 ( 1.816 0.000 5.477) 5.770 19.059 ( 10.635 0.000 -2.865) 11.014 19.152 ( -2.947 0.000 -6.374) 7.022 19.283 ( 3.355 0.000 -4.723) 5.793 19.353 ( 0.737 0.000 -5.186) 5.238 22.182 ( -0.339 0.000 2.412) 2.436 22.411 ( -3.424 0.000 2.692) 4.355 22.707 ( -3.282 0.000 1.638) 3.668 22.713 ( -8.203 0.000 4.413) 9.315 27.044 ( 6.276 0.000 3.059) 6.981 27.077 ( 5.052 0.000 3.571) 6.186 27.185 ( 18.836 0.000 -23.718) 30.287 27.705 ( 14.507 0.000 7.603) 16.378 30.059 ( 2.208 0.000 -3.899) 4.481 30.062 ( 0.079 0.000 -1.754) 1.756 30.213 ( 1.564 0.000 -0.561) 1.661 30.246 ( 4.940 0.000 -1.932) 5.304 31.399 ( -5.163 0.000 -0.197) 5.166 31.554 ( -2.258 0.000 2.114) 3.093 31.820 ( 1.316 0.000 -0.212) 1.333 31.892 ( -1.280 0.000 2.980) 3.243 31.975 ( 8.851 0.000 2.017) 9.078 31.993 ( 9.481 0.000 -1.704) 9.633 32.659 ( -6.243 0.000 -2.124) 6.595 32.781 ( -6.244 0.000 0.163) 6.246 33.003 ( 0.348 0.000 1.716) 1.751 33.004 ( -1.866 0.000 2.821) 3.382 33.235 ( 0.959 0.000 0.270) 0.997 33.355 ( -0.407 0.000 -3.041) 3.068 34.364 ( 7.169 0.000 3.494) 7.975 34.495 ( -2.682 0.000 -6.508) 7.039 35.405 ( 2.057 0.000 -2.642) 3.348 35.646 ( 1.754 0.000 -15.460) 15.559 36.380 ( -11.734 0.000 -1.923) 11.891 37.077 ( -0.690 0.000 -0.877) 1.116 37.255 ( -22.764 0.000 30.248) 37.856 37.598 ( -3.186 0.000 4.732) 5.704======================= Grid point 38 (16/66) =======================q-point: ( 0.43 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 63Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.133 ( -10.128 0.000 10.166) 14.350 2.379 ( -6.890 0.000 11.785) 13.651 2.444 ( 0.042 0.000 31.238) 31.238 2.656 ( 6.118 0.000 3.990) 7.304 2.686 ( 2.593 0.000 5.903) 6.448 2.865 ( 1.512 0.000 3.552) 3.860 3.063 ( 4.506 0.000 -3.148) 5.497 3.073 ( -4.643 0.000 0.474) 4.667 3.082 ( -0.550 0.000 -0.709) 0.898 3.101 ( -2.297 0.000 2.814) 3.633 3.278 ( 0.716 0.000 1.852) 1.985 3.490 ( 0.134 0.000 12.700) 12.701 3.592 ( 5.691 0.000 -2.658) 6.281 3.756 ( -5.079 0.000 -19.857) 20.496 3.841 ( -1.937 0.000 1.798) 2.643 3.941 ( 2.504 0.000 -6.678) 7.132 3.974 ( 1.281 0.000 -2.362) 2.687 4.152 ( 3.199 0.000 -9.772) 10.282 4.167 ( -0.341 0.000 -12.635) 12.639 4.216 ( 0.196 0.000 -6.536) 6.539 4.278 ( 12.692 0.000 9.399) 15.794 4.367 ( 2.256 0.000 20.537) 20.661 4.518 ( -9.896 0.000 1.379) 9.992 4.571 ( 14.758 0.000 7.013) 16.339 5.102 ( -11.110 0.000 7.918) 13.643 5.319 ( 10.843 0.000 5.243) 12.044 5.372 ( 11.761 0.000 1.088) 11.811 5.552 ( 8.759 0.000 -1.976) 8.980 5.762 ( 9.687 0.000 -13.281) 16.438 5.831 ( -7.063 0.000 -11.118) 13.172 5.915 ( 1.120 0.000 19.169) 19.202 5.995 ( -3.425 0.000 -15.689) 16.059 6.373 ( -0.622 0.000 8.120) 8.144 6.411 ( 5.147 0.000 -3.808) 6.403 6.494 ( -1.572 0.000 8.337) 8.484 6.821 ( -3.473 0.000 2.205) 4.113 7.123 ( -11.117 0.000 -8.041) 13.720 7.175 ( -2.113 0.000 6.148) 6.501 7.499 ( -0.057 0.000 -19.608) 19.608 7.657 ( -1.619 0.000 11.181) 11.297 7.999 ( 1.537 0.000 7.337) 7.497 8.053 ( 0.226 0.000 -4.755) 4.760 8.087 ( 7.416 0.000 -3.984) 8.419 8.323 ( -1.256 0.000 5.689) 5.826 8.383 ( 1.384 0.000 0.454) 1.456 8.715 ( 6.023 0.000 -11.134) 12.659 8.914 ( -2.609 0.000 -8.304) 8.704 9.092 ( -8.122 0.000 -1.833) 8.327 9.361 ( 1.992 0.000 -4.856) 5.249 9.368 ( -0.416 0.000 0.838) 0.935 9.446 ( -4.060 0.000 -1.232) 4.243 9.447 ( -6.055 0.000 1.081) 6.150 9.785 ( -2.147 0.000 4.154) 4.676 10.112 ( -3.044 0.000 -2.825) 4.153 10.212 ( 8.602 0.000 -6.047) 10.515 10.381 ( 4.782 0.000 -22.977) 23.469 10.477 ( 4.283 0.000 -7.295) 8.459 10.808 ( 8.579 0.000 -6.912) 11.017 11.040 ( -12.210 0.000 -3.030) 12.580 11.108 ( -6.828 0.000 -0.457) 6.844 11.484 ( -3.665 0.000 7.138) 8.023 11.692 ( -2.452 0.000 2.441) 3.460 11.700 ( -5.902 0.000 12.774) 14.072 11.946 ( 1.807 0.000 1.692) 2.476 11.958 ( 5.035 0.000 2.757) 5.740 12.188 ( -4.728 0.000 -1.896) 5.094 12.274 ( 6.180 0.000 2.130) 6.537 12.421 ( 1.841 0.000 5.644) 5.937 12.575 ( -6.415 0.000 -1.280) 6.541 12.654 ( 7.488 0.000 14.664) 16.465 12.702 ( -1.312 0.000 -1.890) 2.301 12.820 ( -2.081 0.000 3.212) 3.827 12.922 ( -5.778 0.000 -3.213) 6.611 13.176 ( -1.126 0.000 13.673) 13.720 13.478 ( 9.123 0.000 4.466) 10.157 13.576 ( -1.091 0.000 5.134) 5.248 13.664 ( 0.078 0.000 0.797) 0.801 14.114 ( -6.647 0.000 3.363) 7.449 14.170 ( 5.886 0.000 0.505) 5.907 14.313 ( -6.077 0.000 -2.933) 6.748 14.446 ( 3.013 0.000 -12.772) 13.123 14.798 ( 16.188 0.000 -10.438) 19.261 15.159 ( -3.539 0.000 13.713) 14.163 15.315 ( -10.010 0.000 -1.654) 10.145 16.269 ( -3.846 0.000 -4.593) 5.991 16.529 ( -1.025 0.000 -6.167) 6.251 16.719 ( 0.657 0.000 -11.940) 11.958 16.854 ( 1.555 0.000 6.824) 6.998 17.165 ( -2.835 0.000 5.846) 6.497 17.415 ( 0.604 0.000 7.717) 7.740 17.538 ( 1.994 0.000 -3.319) 3.873 17.728 ( -1.231 0.000 3.631) 3.834 17.739 ( 4.874 0.000 4.360) 6.540 17.940 ( 4.734 0.000 -0.827) 4.805 18.212 ( -1.058 0.000 4.587) 4.708 18.212 ( -2.134 0.000 3.007) 3.688 19.067 ( -0.193 0.000 -9.232) 9.234 19.199 ( 3.479 0.000 -2.453) 4.256 19.313 ( 2.203 0.000 -3.561) 4.188 19.329 ( 1.820 0.000 -7.310) 7.533 22.201 ( 0.465 0.000 3.145) 3.180 22.382 ( -0.413 0.000 1.211) 1.280 22.597 ( -6.421 0.000 5.153) 8.233 22.673 ( -1.080 0.000 1.757) 2.062 27.015 ( -2.464 0.000 -5.567) 6.088 27.309 ( 6.047 0.000 14.033) 15.280 27.326 ( 9.355 0.000 -19.387) 21.526 28.042 ( 13.897 0.000 11.876) 18.280 30.051 ( 0.002 0.000 -2.511) 2.511 30.082 ( 2.471 0.000 -4.003) 4.704 30.231 ( 0.250 0.000 0.112) 0.274 30.312 ( 2.591 0.000 -1.875) 3.198 31.329 ( -1.602 0.000 0.320) 1.633 31.512 ( -2.478 0.000 0.320) 2.498 31.842 ( 0.921 0.000 -0.235) 0.950 31.872 ( -2.100 0.000 1.829) 2.785 32.140 ( 4.116 0.000 1.659) 4.438 32.168 ( 8.283 0.000 -1.499) 8.417 32.554 ( -1.036 0.000 -0.314) 1.082 32.647 ( -6.738 0.000 0.570) 6.762 33.000 ( -0.795 0.000 4.410) 4.481 33.016 ( 0.072 0.000 1.454) 1.456 33.262 ( 0.888 0.000 1.383) 1.643 33.378 ( 3.226 0.000 2.099) 3.848 34.460 ( 2.416 0.000 -2.998) 3.850 34.474 ( 2.531 0.000 2.803) 3.777 35.402 ( -0.019 0.000 -5.179) 5.179 35.537 ( -1.600 0.000 -25.744) 25.794 36.129 ( -12.210 0.000 -0.397) 12.216 37.030 ( -2.152 0.000 -4.783) 5.244 37.105 ( -11.122 0.000 26.697) 28.921 37.574 ( -1.997 0.000 4.592) 5.007======================= Grid point 39 (17/66) =======================q-point: (-0.43 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 63Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.977 ( -12.227 0.000 5.962) 13.603 1.995 ( -27.711 0.000 -9.392) 29.259 2.474 ( -19.194 0.000 3.867) 19.580 2.674 ( -0.159 0.000 24.455) 24.456 2.810 ( -2.155 0.000 -3.509) 4.118 2.912 ( 0.978 0.000 7.818) 7.879 2.938 ( -4.098 0.000 -5.250) 6.660 3.046 ( -3.186 0.000 1.044) 3.353 3.074 ( -0.649 0.000 0.292) 0.711 3.120 ( 1.290 0.000 -3.281) 3.526 3.260 ( -3.813 0.000 3.947) 5.489 3.380 ( -23.709 0.000 16.527) 28.901 3.424 ( -8.669 0.000 -8.964) 12.470 3.536 ( -3.354 0.000 9.235) 9.825 3.715 ( -6.871 0.000 2.443) 7.292 3.840 ( -8.821 0.000 -5.728) 10.517 3.923 ( -3.024 0.000 -4.793) 5.667 4.100 ( -0.884 0.000 -1.213) 1.501 4.238 ( 1.401 0.000 -6.790) 6.933 4.416 ( 4.227 0.000 4.537) 6.201 4.438 ( 8.684 0.000 3.999) 9.561 4.521 ( 18.517 0.000 2.488) 18.683 4.669 ( -2.302 0.000 3.563) 4.242 4.979 ( 19.972 0.000 2.251) 20.098 5.069 ( 9.779 0.000 15.209) 18.081 5.216 ( -16.648 0.000 -6.420) 17.843 5.505 ( -17.070 0.000 8.007) 18.855 5.506 ( -7.877 0.000 -3.100) 8.465 5.566 ( 0.635 0.000 6.038) 6.071 5.765 ( -7.885 0.000 -12.858) 15.083 5.947 ( 11.287 0.000 -13.165) 17.341 6.066 ( 1.995 0.000 8.421) 8.654 6.325 ( -6.736 0.000 0.593) 6.762 6.544 ( -6.110 0.000 4.938) 7.856 6.562 ( 11.338 0.000 -3.626) 11.903 6.806 ( -0.527 0.000 6.265) 6.287 6.987 ( 17.446 0.000 -12.584) 21.511 7.259 ( -1.671 0.000 14.083) 14.182 7.384 ( -1.041 0.000 -20.463) 20.490 7.739 ( 2.612 0.000 7.960) 8.377 8.015 ( -2.789 0.000 4.770) 5.526 8.033 ( 0.198 0.000 -3.249) 3.255 8.236 ( 7.702 0.000 2.937) 8.243 8.265 ( -2.648 0.000 -6.105) 6.655 8.447 ( -0.683 0.000 9.949) 9.973 8.737 ( 1.799 0.000 -11.747) 11.884 8.914 ( 9.654 0.000 -8.950) 13.164 8.981 ( 1.263 0.000 -5.411) 5.556 9.296 ( -6.963 0.000 -1.596) 7.144 9.366 ( 0.696 0.000 -0.451) 0.829 9.430 ( 6.197 0.000 -1.271) 6.326 9.444 ( 4.665 0.000 -2.421) 5.256 9.715 ( -6.552 0.000 3.717) 7.533 10.140 ( 6.661 0.000 -4.389) 7.977 10.215 ( -6.703 0.000 -11.757) 13.533 10.377 ( 8.125 0.000 -11.107) 13.762 10.602 ( 9.568 0.000 -3.304) 10.122 10.794 ( -4.323 0.000 -12.454) 13.183 11.009 ( 10.623 0.000 -0.869) 10.659 11.018 ( -1.215 0.000 -0.828) 1.470 11.468 ( -0.849 0.000 4.957) 5.030 11.616 ( -2.960 0.000 -5.704) 6.426 11.676 ( -2.453 0.000 8.446) 8.795 11.991 ( -3.782 0.000 6.469) 7.493 12.011 ( 1.666 0.000 4.180) 4.499 12.129 ( 0.712 0.000 -2.642) 2.736 12.356 ( -5.599 0.000 2.100) 5.979 12.435 ( -2.567 0.000 6.374) 6.871 12.573 ( 9.847 0.000 0.377) 9.854 12.651 ( -11.919 0.000 -3.121) 12.321 12.693 ( 0.147 0.000 -1.821) 1.827 12.844 ( 1.348 0.000 15.043) 15.103 12.943 ( 3.176 0.000 9.643) 10.152 13.196 ( -2.000 0.000 6.961) 7.243 13.480 ( -7.043 0.000 2.982) 7.649 13.558 ( -6.249 0.000 11.711) 13.274 13.786 ( 7.819 0.000 5.904) 9.797 14.015 ( -3.683 0.000 -0.187) 3.688 14.154 ( -5.078 0.000 -2.811) 5.804 14.381 ( 11.120 0.000 2.558) 11.410 14.541 ( 13.796 0.000 -11.678) 18.075 15.017 ( 0.464 0.000 -2.648) 2.688 15.128 ( 2.796 0.000 -7.927) 8.406 15.179 ( -3.853 0.000 14.781) 15.275 16.185 ( -1.049 0.000 -6.790) 6.870 16.429 ( -3.846 0.000 -8.358) 9.201 16.659 ( 0.085 0.000 -8.242) 8.242 16.861 ( -4.858 0.000 4.890) 6.893 17.145 ( -2.210 0.000 4.332) 4.863 17.439 ( -3.119 0.000 8.288) 8.856 17.563 ( 2.142 0.000 -1.373) 2.545 17.752 ( 1.280 0.000 4.347) 4.532 17.838 ( 3.081 0.000 2.788) 4.155 18.058 ( 7.132 0.000 -3.566) 7.973 18.126 ( -6.776 0.000 -0.696) 6.811 18.197 ( -4.083 0.000 10.265) 11.048 19.053 ( 3.808 0.000 -8.239) 9.076 19.132 ( -5.238 0.000 -7.086) 8.813 19.325 ( 1.122 0.000 -3.321) 3.505 19.356 ( 3.029 0.000 -6.060) 6.775 22.231 ( 0.170 0.000 4.575) 4.578 22.422 ( 4.432 0.000 -0.677) 4.484 22.529 ( -3.779 0.000 5.175) 6.408 22.686 ( 1.005 0.000 2.310) 2.519 26.901 ( -5.749 0.000 -5.027) 7.636 27.337 ( 2.447 0.000 -14.053) 14.264 27.431 ( -2.134 0.000 13.194) 13.365 28.378 ( 12.552 0.000 15.083) 19.623 30.033 ( -0.011 0.000 -3.209) 3.209 30.103 ( 1.867 0.000 -3.623) 4.076 30.222 ( -1.264 0.000 0.164) 1.274 30.314 ( -1.309 0.000 -1.750) 2.186 31.354 ( 3.486 0.000 1.673) 3.867 31.468 ( -1.503 0.000 -2.028) 2.524 31.837 ( -2.079 0.000 0.434) 2.124 31.849 ( -0.287 0.000 0.297) 0.413 32.089 ( -7.504 0.000 -0.307) 7.510 32.214 ( -4.711 0.000 0.587) 4.747 32.604 ( 3.941 0.000 -1.371) 4.173 32.679 ( 10.685 0.000 3.135) 11.136 33.020 ( -0.763 0.000 1.796) 1.951 33.028 ( 0.471 0.000 6.483) 6.500 33.279 ( 0.249 0.000 1.059) 1.088 33.492 ( 6.204 0.000 2.828) 6.818 34.515 ( -0.368 0.000 6.780) 6.790 34.553 ( 7.021 0.000 1.961) 7.289 35.236 ( -9.649 0.000 -40.103) 41.248 35.344 ( -1.831 0.000 -7.991) 8.198 35.950 ( -7.344 0.000 5.455) 9.148 36.957 ( -1.146 0.000 -7.138) 7.230 37.109 ( -4.149 0.000 23.078) 23.448 37.576 ( -0.547 0.000 4.128) 4.164======================= Grid point 40 (18/66) =======================q-point: (-0.29 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 63Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.331 ( -31.582 0.000 -11.217) 33.515 1.648 ( -26.157 0.000 1.217) 26.185 2.005 ( -22.884 0.000 1.737) 22.949 2.316 ( -42.681 0.000 14.191) 44.978 2.820 ( -1.564 0.000 22.903) 22.957 2.896 ( -2.740 0.000 -0.930) 2.893 2.974 ( -4.609 0.000 0.807) 4.679 2.999 ( 2.077 0.000 4.209) 4.694 3.020 ( -3.764 0.000 -2.382) 4.455 3.103 ( -3.183 0.000 3.066) 4.420 3.210 ( -3.314 0.000 2.559) 4.187 3.232 ( -3.774 0.000 14.577) 15.058 3.317 ( 0.044 0.000 -0.700) 0.701 3.413 ( -8.854 0.000 -1.210) 8.937 3.675 ( -4.759 0.000 9.033) 10.209 3.731 ( -4.374 0.000 9.634) 10.581 3.761 ( -9.530 0.000 -5.338) 10.923 4.054 ( -5.352 0.000 -1.790) 5.644 4.174 ( -2.874 0.000 -0.673) 2.952 4.457 ( -4.529 0.000 -4.075) 6.092 4.467 ( -0.781 0.000 -6.886) 6.931 4.497 ( -5.837 0.000 -0.381) 5.850 4.757 ( -19.775 0.000 -2.848) 19.978 4.858 ( 0.761 0.000 -13.446) 13.468 5.104 ( -11.282 0.000 0.116) 11.282 5.327 ( 7.518 0.000 5.355) 9.230 5.340 ( 5.265 0.000 16.266) 17.097 5.499 ( 7.615 0.000 -1.285) 7.722 5.652 ( -3.427 0.000 20.409) 20.695 5.682 ( 9.552 0.000 -9.117) 13.204 6.000 ( -7.331 0.000 3.909) 8.308 6.059 ( 8.686 0.000 -11.060) 14.063 6.308 ( 1.522 0.000 2.665) 3.069 6.443 ( -0.557 0.000 -9.894) 9.909 6.733 ( 3.552 0.000 5.230) 6.322 6.868 ( 5.333 0.000 2.085) 5.726 7.180 ( 2.731 0.000 -3.025) 4.075 7.206 ( -3.570 0.000 -20.647) 20.954 7.468 ( 15.565 0.000 9.360) 18.163 7.809 ( 1.402 0.000 2.894) 3.216 7.923 ( -6.547 0.000 -0.942) 6.615 8.058 ( 2.877 0.000 -2.094) 3.558 8.204 ( -0.553 0.000 -0.717) 0.905 8.382 ( 3.911 0.000 5.141) 6.460 8.462 ( -1.992 0.000 3.854) 4.338 8.668 ( -1.251 0.000 -8.408) 8.500 9.036 ( 5.812 0.000 -11.608) 12.982 9.110 ( 10.570 0.000 -5.838) 12.075 9.199 ( 1.499 0.000 -5.676) 5.871 9.330 ( -2.785 0.000 3.968) 4.848 9.580 ( 6.922 0.000 -2.615) 7.399 9.619 ( -3.493 0.000 4.072) 5.366 9.640 ( 13.674 0.000 -0.744) 13.694 9.940 ( -13.056 0.000 -10.157) 16.541 10.270 ( 9.937 0.000 -6.675) 11.970 10.442 ( 3.341 0.000 -5.280) 6.248 10.672 ( -1.890 0.000 -1.158) 2.217 10.691 ( 1.429 0.000 -14.471) 14.541 11.109 ( 11.003 0.000 -2.941) 11.389 11.213 ( 8.367 0.000 3.629) 9.120 11.536 ( 6.471 0.000 -0.856) 6.527 11.548 ( 0.815 0.000 -7.683) 7.726 11.707 ( 1.439 0.000 4.423) 4.651 11.933 ( -8.721 0.000 15.490) 17.777 12.030 ( -0.072 0.000 -2.012) 2.014 12.181 ( 3.381 0.000 3.021) 4.534 12.195 ( -8.382 0.000 -6.519) 10.619 12.415 ( -8.785 0.000 -3.286) 9.380 12.418 ( -3.083 0.000 4.464) 5.425 12.679 ( -0.225 0.000 -0.072) 0.236 12.729 ( 4.165 0.000 -2.164) 4.693 12.910 ( -1.879 0.000 11.930) 12.077 13.029 ( -0.951 0.000 8.005) 8.061 13.233 ( 1.327 0.000 8.133) 8.241 13.314 ( -8.142 0.000 -0.558) 8.161 13.595 ( -0.378 0.000 29.253) 29.255 13.915 ( 0.453 0.000 6.395) 6.411 14.044 ( 7.627 0.000 1.522) 7.777 14.051 ( -3.158 0.000 -4.073) 5.154 14.623 ( 10.243 0.000 4.680) 11.261 14.792 ( 16.045 0.000 -6.529) 17.322 14.816 ( -13.278 0.000 4.761) 14.106 15.156 ( -6.341 0.000 9.593) 11.500 15.278 ( 10.902 0.000 -14.547) 18.179 16.165 ( 3.965 0.000 -8.231) 9.136 16.330 ( -0.739 0.000 -6.116) 6.161 16.657 ( 2.725 0.000 1.428) 3.076 16.729 ( -9.273 0.000 -1.086) 9.336 17.128 ( -2.308 0.000 4.496) 5.054 17.400 ( -5.778 0.000 8.962) 10.663 17.600 ( 1.838 0.000 -1.678) 2.489 17.816 ( 1.812 0.000 4.849) 5.177 17.866 ( -1.036 0.000 -1.620) 1.923 17.991 ( -4.904 0.000 -1.733) 5.201 18.070 ( -6.143 0.000 4.077) 7.372 18.258 ( 4.429 0.000 6.420) 7.799 18.969 ( -5.054 0.000 -11.765) 12.805 19.096 ( 4.676 0.000 -6.551) 8.049 19.318 ( 0.313 0.000 -3.352) 3.367 19.345 ( 0.030 0.000 -7.003) 7.003 22.254 ( -1.181 0.000 5.878) 5.996 22.475 ( -0.481 0.000 -2.014) 2.071 22.565 ( 6.304 0.000 3.833) 7.378 22.732 ( 2.046 0.000 2.736) 3.416 26.753 ( -6.180 0.000 -3.411) 7.059 27.275 ( -1.203 0.000 -9.053) 9.133 27.387 ( -8.719 0.000 9.632) 12.992 28.692 ( 11.081 0.000 7.720) 13.505 30.019 ( 0.704 0.000 -3.421) 3.493 30.104 ( -0.023 0.000 -3.067) 3.067 30.188 ( -1.689 0.000 -1.256) 2.105 30.252 ( -3.543 0.000 -1.554) 3.869 31.429 ( -0.795 0.000 -4.180) 4.254 31.465 ( 5.817 0.000 3.239) 6.658 31.798 ( -1.789 0.000 -0.935) 2.018 31.827 ( -2.647 0.000 0.441) 2.683 31.940 ( -6.344 0.000 0.683) 6.381 32.061 ( -9.393 0.000 1.356) 9.491 32.723 ( 7.515 0.000 -2.048) 7.789 32.909 ( 9.866 0.000 2.231) 10.115 33.004 ( -1.902 0.000 1.713) 2.560 33.101 ( 2.513 0.000 9.452) 9.781 33.289 ( 0.267 0.000 0.460) 0.531 33.597 ( 4.353 0.000 -10.064) 10.965 34.492 ( -12.763 0.000 -18.231) 22.255 34.723 ( 7.193 0.000 5.078) 8.805 34.820 ( -1.854 0.000 -3.388) 3.862 35.249 ( -1.926 0.000 -9.830) 10.016 35.899 ( -3.026 0.000 10.960) 11.371 36.918 ( 1.420 0.000 -6.320) 6.478 37.210 ( 1.181 0.000 22.308) 22.339 37.598 ( 0.295 0.000 3.746) 3.758======================= Grid point 41 (19/66) =======================q-point: (-0.14 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 63Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.750 ( -25.240 0.000 11.629) 27.790 1.055 ( -35.010 0.000 19.465) 40.058 1.598 ( -41.662 0.000 45.680) 61.825 1.751 ( -5.211 0.000 4.418) 6.832 2.777 ( -5.554 0.000 -7.532) 9.359 2.806 ( -11.170 0.000 9.869) 14.905 2.899 ( -4.002 0.000 4.552) 6.062 2.935 ( -3.916 0.000 2.197) 4.490 3.030 ( -7.996 0.000 8.314) 11.535 3.055 ( 1.812 0.000 2.331) 2.953 3.174 ( -8.534 0.000 8.257) 11.874 3.177 ( -0.369 0.000 0.335) 0.498 3.340 ( 1.089 0.000 0.641) 1.264 3.374 ( 1.745 0.000 -1.300) 2.176 3.421 ( -11.831 0.000 -2.298) 12.052 3.702 ( -5.916 0.000 4.973) 7.729 3.702 ( -6.616 0.000 12.078) 13.772 3.844 ( -9.976 0.000 -2.333) 10.245 4.189 ( 4.363 0.000 -0.007) 4.363 4.258 ( -11.515 0.000 -8.739) 14.456 4.345 ( -2.765 0.000 -0.521) 2.814 4.404 ( -4.655 0.000 -3.612) 5.892 4.541 ( 1.380 0.000 -5.435) 5.607 4.753 ( -1.014 0.000 -9.463) 9.517 4.913 ( -6.491 0.000 -2.049) 6.807 5.362 ( -2.029 0.000 1.374) 2.450 5.569 ( 3.940 0.000 -7.486) 8.459 5.592 ( 0.263 0.000 14.654) 14.656 5.677 ( -2.864 0.000 23.134) 23.310 5.923 ( 13.172 0.000 -4.875) 14.045 5.961 ( -0.018 0.000 5.923) 5.923 6.132 ( 5.051 0.000 -12.873) 13.828 6.270 ( -4.677 0.000 -4.755) 6.670 6.499 ( 10.922 0.000 -6.535) 12.728 6.720 ( -8.664 0.000 7.603) 11.527 7.031 ( 0.953 0.000 -5.763) 5.842 7.080 ( 11.970 0.000 -9.368) 15.200 7.157 ( -3.037 0.000 -4.297) 5.262 7.741 ( 5.238 0.000 5.761) 7.786 7.821 ( -2.660 0.000 -0.699) 2.750 7.885 ( 7.391 0.000 -0.513) 7.409 8.069 ( -0.244 0.000 -2.483) 2.495 8.243 ( 3.004 0.000 1.260) 3.257 8.418 ( -4.168 0.000 3.812) 5.648 8.427 ( -2.099 0.000 1.796) 2.763 8.614 ( 0.518 0.000 -7.008) 7.027 8.977 ( -4.035 0.000 -5.601) 6.903 9.145 ( 1.906 0.000 -6.208) 6.494 9.323 ( 9.000 0.000 -8.033) 12.063 9.406 ( 7.840 0.000 2.860) 8.345 9.545 ( -2.499 0.000 1.540) 2.936 9.627 ( -11.957 0.000 -8.976) 14.951 9.675 ( -0.434 0.000 -2.991) 3.023 9.866 ( 7.137 0.000 0.365) 7.146 10.427 ( 7.709 0.000 -5.101) 9.244 10.488 ( 6.312 0.000 -11.835) 13.413 10.641 ( 4.754 0.000 -4.125) 6.294 10.658 ( 2.501 0.000 -5.838) 6.351 11.279 ( 4.653 0.000 -2.634) 5.347 11.346 ( 1.450 0.000 7.239) 7.383 11.558 ( 3.204 0.000 -5.874) 6.691 11.670 ( 6.659 0.000 -1.057) 6.742 11.761 ( 2.378 0.000 -0.707) 2.481 11.762 ( -14.489 0.000 12.991) 19.460 11.984 ( -2.195 0.000 -6.139) 6.520 12.057 ( -3.193 0.000 0.038) 3.193 12.270 ( 2.027 0.000 8.124) 8.373 12.319 ( 1.547 0.000 -5.138) 5.366 12.371 ( -3.612 0.000 0.928) 3.730 12.644 ( -3.186 0.000 -3.265) 4.562 12.751 ( 1.063 0.000 1.855) 2.138 12.920 ( -4.625 0.000 13.252) 14.036 13.034 ( -0.155 0.000 -0.412) 0.440 13.213 ( -2.001 0.000 -1.546) 2.529 13.290 ( -1.040 0.000 6.801) 6.881 13.850 ( 7.339 0.000 -1.211) 7.439 13.990 ( -0.805 0.000 -3.234) 3.333 14.123 ( 14.922 0.000 17.119) 22.709 14.268 ( 19.945 0.000 27.768) 34.188 14.587 ( -13.099 0.000 7.978) 15.337 14.815 ( 6.149 0.000 1.915) 6.440 14.964 ( -4.788 0.000 4.264) 6.411 15.120 ( 6.370 0.000 0.517) 6.391 15.359 ( 7.400 0.000 -14.050) 15.880 16.245 ( 10.466 0.000 -13.214) 16.857 16.340 ( 3.645 0.000 -2.125) 4.220 16.529 ( -7.773 0.000 -5.581) 9.569 16.824 ( 9.831 0.000 19.224) 21.592 17.111 ( -2.511 0.000 6.017) 6.520 17.339 ( -5.597 0.000 8.921) 10.531 17.548 ( -7.222 0.000 -3.611) 8.075 17.742 ( -18.457 0.000 -8.262) 20.222 17.839 ( -1.533 0.000 2.506) 2.938 17.925 ( -4.502 0.000 -1.891) 4.884 17.968 ( 1.800 0.000 2.574) 3.141 18.336 ( -2.457 0.000 -1.301) 2.780 18.774 ( -7.976 0.000 -16.378) 18.216 19.145 ( 4.197 0.000 -6.240) 7.520 19.301 ( -0.108 0.000 -2.848) 2.850 19.306 ( 1.353 0.000 -6.159) 6.306 22.250 ( -2.863 0.000 6.071) 6.713 22.439 ( -1.071 0.000 -2.453) 2.677 22.723 ( 6.802 0.000 3.308) 7.564 22.785 ( 1.327 0.000 2.890) 3.180 26.647 ( -2.750 0.000 -1.130) 2.973 27.212 ( -0.295 0.000 -4.628) 4.637 27.243 ( -9.585 0.000 5.248) 10.928 28.548 ( -35.259 0.000 -52.478) 63.223 30.026 ( 2.180 0.000 -3.055) 3.753 30.052 ( -2.566 0.000 -1.966) 3.232 30.160 ( 0.224 0.000 -2.233) 2.244 30.174 ( -3.309 0.000 -1.277) 3.547 31.402 ( 1.306 0.000 -0.190) 1.320 31.585 ( 3.251 0.000 3.971) 5.132 31.756 ( -3.450 0.000 0.072) 3.451 31.762 ( -0.555 0.000 -1.929) 2.007 31.874 ( -2.343 0.000 2.615) 3.511 31.913 ( -6.033 0.000 1.393) 6.192 32.835 ( 4.730 0.000 -1.696) 5.025 32.978 ( -1.459 0.000 1.826) 2.337 33.058 ( 4.707 0.000 0.465) 4.730 33.207 ( -3.423 0.000 -5.901) 6.822 33.288 ( -0.391 0.000 -0.788) 0.880 33.370 ( -12.222 0.000 -21.406) 24.650 33.942 ( -14.430 0.000 -5.008) 15.274 34.831 ( 0.516 0.000 0.959) 1.089 35.196 ( 2.617 0.000 -5.974) 6.522 35.297 ( 29.640 0.000 20.823) 36.224 36.042 ( 10.978 0.000 34.312) 36.025 36.939 ( 3.490 0.000 -3.139) 4.693 37.509 ( 20.329 0.000 29.611) 35.917 37.626 ( 0.123 0.000 3.916) 3.918======================= Grid point 42 (20/66) =======================q-point: ( 0.00 0.20 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 105Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.188 ( 8.346 32.438 21.649) 39.881 1.440 ( 1.565 26.927 34.387) 43.704 1.827 ( 0.988 28.857 36.057) 46.193 2.029 ( 1.410 25.355 19.909) 32.268 2.679 ( 3.562 -5.797 1.695) 7.012 2.718 ( -4.587 3.659 0.384) 5.880 2.856 ( -3.692 -3.302 7.873) 9.301 2.873 ( -5.132 -3.492 0.983) 6.285 2.966 ( -3.183 4.133 2.368) 5.729 3.072 ( -1.911 -0.346 1.567) 2.496 3.104 ( 2.898 -1.382 4.061) 5.177 3.192 ( 3.164 -0.030 10.841) 11.294 3.300 ( -2.096 0.973 2.180) 3.176 3.317 ( -4.194 0.831 3.407) 5.467 3.359 ( -2.558 -0.696 4.846) 5.524 3.576 ( -2.585 5.024 -2.282) 6.093 3.692 ( -2.285 4.256 7.458) 8.886 3.888 ( 2.122 14.435 -4.824) 15.366 4.100 ( -3.872 5.209 -7.341) 9.799 4.232 ( 0.635 0.398 -4.916) 4.972 4.339 ( 5.145 -1.686 0.389) 5.428 4.387 ( 3.899 -4.332 -5.116) 7.755 4.607 ( 4.734 -1.042 -6.835) 8.380 4.762 ( 3.717 2.416 -8.201) 9.322 4.914 ( -3.853 11.336 -3.849) 12.576 5.183 ( -1.818 -14.758 2.611) 15.097 5.503 ( -9.405 -4.106 17.579) 20.355 5.565 ( 4.319 -2.684 -6.222) 8.035 5.694 ( 4.760 -11.306 -4.309) 13.002 5.882 ( -11.008 -7.744 -1.894) 13.591 5.917 ( 1.541 -5.266 -0.595) 5.519 6.072 ( -0.322 0.365 -2.991) 3.030 6.335 ( 4.652 4.600 -4.018) 7.678 6.554 ( -10.781 1.812 0.313) 10.937 6.696 ( 4.053 3.640 -0.142) 5.450 6.877 ( -2.112 -5.158 -7.177) 9.087 6.985 ( 4.989 -7.205 -5.702) 10.455 7.338 ( 4.087 -2.333 2.584) 5.369 7.679 ( -2.145 -12.751 3.786) 13.473 7.722 ( -1.261 -14.531 -3.673) 15.041 7.752 ( 3.041 -3.961 3.782) 6.264 7.972 ( 0.396 -10.157 -0.718) 10.190 8.098 ( -7.059 -4.823 -3.344) 9.180 8.292 ( 1.623 -5.584 0.349) 5.826 8.506 ( 0.444 8.433 8.093) 11.697 8.762 ( 4.010 9.414 -8.989) 13.620 9.140 ( 0.887 7.869 -5.763) 9.794 9.171 ( -4.282 1.374 -4.886) 6.641 9.444 ( 5.489 7.932 -7.161) 12.014 9.502 ( -2.170 7.215 -5.909) 9.575 9.580 ( 7.398 4.061 -0.634) 8.463 9.639 ( -2.893 5.730 0.335) 6.427 9.727 ( 8.046 8.912 1.534) 12.104 10.006 ( -1.214 8.106 -2.086) 8.458 10.424 ( 5.088 -3.132 -9.624) 11.328 10.522 ( 3.524 2.154 -23.105) 23.472 10.821 ( 4.477 2.591 0.398) 5.188 10.849 ( 6.564 4.768 5.664) 9.895 11.080 ( -3.065 -7.570 1.550) 8.313 11.343 ( -4.928 -4.891 4.075) 8.051 11.513 ( 2.237 -6.783 4.444) 8.412 11.606 ( -2.433 -10.667 3.092) 11.370 11.714 ( -1.114 -2.974 4.597) 5.587 11.903 ( 4.318 -0.446 2.419) 4.970 11.923 ( -6.682 0.765 -1.193) 6.831 12.114 ( 1.883 9.382 -1.415) 9.673 12.240 ( 0.654 1.377 -7.702) 7.852 12.336 ( -0.315 2.724 -3.007) 4.069 12.381 ( 2.169 2.505 2.701) 4.275 12.681 ( -0.938 0.044 -0.939) 1.328 12.812 ( -2.634 -2.408 3.206) 4.797 12.861 ( -2.881 -3.938 4.769) 6.822 12.964 ( -1.883 -0.068 0.550) 1.963 13.187 ( -1.631 -1.544 -1.620) 2.769 13.422 ( 1.808 16.057 2.863) 16.411 13.912 ( 2.303 1.566 -9.183) 9.596 14.009 ( 1.745 3.073 -0.586) 3.582 14.236 ( -0.046 0.360 4.066) 4.083 14.377 ( -12.744 -4.674 10.186) 16.971 14.486 ( -5.507 -4.234 3.408) 7.738 14.728 ( -12.208 -5.020 1.694) 13.308 15.183 ( -1.707 -7.402 1.970) 7.847 15.292 ( 1.692 0.125 -7.601) 7.788 15.515 ( 4.738 2.002 -8.049) 9.552 16.241 ( 0.800 -1.777 -7.183) 7.443 16.403 ( 5.207 1.346 -8.384) 9.961 16.456 ( 2.012 -2.693 -2.207) 4.021 16.550 ( -11.492 -1.717 -6.295) 13.215 17.106 ( 4.031 -3.578 15.419) 16.334 17.138 ( -4.651 1.037 8.536) 9.776 17.339 ( 2.799 0.370 6.157) 6.774 17.387 ( -6.376 -1.591 12.420) 14.052 17.858 ( -2.138 2.426 0.910) 3.360 17.908 ( -1.959 0.578 0.031) 2.042 18.014 ( 1.461 -1.747 5.528) 5.979 18.040 ( -7.368 -1.276 6.557) 9.945 18.750 ( 5.427 5.036 -3.508) 8.193 19.197 ( 5.424 -2.234 -6.271) 8.587 19.262 ( -0.968 -1.037 -4.520) 4.737 19.322 ( 2.389 -0.415 -4.946) 5.509 22.353 ( -3.939 7.812 -1.339) 8.850 22.497 ( 2.998 3.282 0.772) 4.512 22.753 ( -1.648 -4.075 3.110) 5.384 22.823 ( 2.526 -2.881 2.748) 4.716 26.699 ( 3.379 4.307 1.891) 5.792 26.842 ( -24.457 -0.698 2.944) 24.644 27.085 ( -5.774 -3.784 0.536) 6.924 27.181 ( 4.093 -5.519 -0.103) 6.872 30.037 ( 0.401 1.228 -1.747) 2.173 30.075 ( 2.048 0.924 -2.398) 3.286 30.153 ( 1.436 -0.540 -2.044) 2.555 30.158 ( -0.841 0.469 -2.422) 2.606 31.461 ( 1.686 -1.123 3.359) 3.923 31.555 ( -0.206 -4.426 -0.351) 4.445 31.716 ( -0.503 0.132 -0.240) 0.572 31.786 ( -0.462 -0.028 -1.176) 1.264 32.018 ( 0.850 13.032 0.925) 13.093 32.067 ( -0.745 13.662 0.184) 13.684 32.761 ( -2.984 -5.110 0.171) 5.920 32.865 ( 0.152 -6.281 -0.497) 6.302 33.098 ( -2.858 3.213 -3.326) 5.436 33.198 ( -2.994 7.738 -9.338) 12.491 33.263 ( -1.980 -0.174 -2.602) 3.274 33.416 ( 1.596 -0.813 -11.259) 11.400 34.119 ( 2.750 18.386 -1.971) 18.694 34.741 ( -4.915 -1.956 -6.361) 8.273 35.280 ( 6.802 1.379 -0.314) 6.948 35.598 ( 9.993 -4.453 -8.883) 14.093 36.469 ( 7.278 -5.182 19.015) 21.009 36.924 ( 2.666 -10.601 5.592) 12.279 37.557 ( -3.684 -11.114 16.453) 20.194 37.689 ( -0.445 -13.850 13.790) 19.549======================= Grid point 43 (21/66) =======================q-point: ( 0.14 0.20 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 105Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.542 ( 14.270 21.538 24.770) 35.792 1.839 ( 13.693 15.571 35.734) 41.314 2.169 ( 2.749 8.410 20.905) 22.700 2.393 ( 25.098 26.360 29.256) 46.697 2.594 ( -8.976 -0.935 7.874) 11.976 2.803 ( 4.708 1.098 -4.839) 6.840 2.859 ( 3.545 -3.324 4.475) 6.606 2.912 ( 0.315 -0.287 5.922) 5.937 2.954 ( 5.851 2.631 -1.299) 6.546 3.086 ( 0.365 -2.455 2.696) 3.664 3.149 ( 1.860 0.257 0.463) 1.933 3.264 ( -2.104 3.628 5.066) 6.577 3.329 ( 3.888 2.344 -1.720) 4.855 3.403 ( 4.997 -1.320 6.035) 7.946 3.478 ( 11.146 3.679 17.445) 21.027 3.639 ( 9.079 -1.179 2.935) 9.615 3.764 ( 6.116 3.417 9.429) 11.747 3.986 ( 9.939 13.617 -5.212) 17.646 4.054 ( 3.678 3.882 -3.665) 6.483 4.175 ( -1.753 -1.461 -6.466) 6.856 4.385 ( 2.482 -4.395 -11.177) 12.264 4.469 ( 6.507 -5.642 -7.253) 11.260 4.699 ( 1.511 6.478 -8.936) 11.140 4.756 ( 8.958 2.270 -4.760) 10.395 4.835 ( 1.315 7.853 -10.442) 13.131 5.024 ( -12.059 -10.937 -8.391) 18.315 5.403 ( -13.129 -1.845 10.659) 17.012 5.572 ( -3.872 -11.151 1.322) 11.878 5.677 ( 4.886 -1.901 -3.387) 6.241 5.751 ( -2.380 -0.977 -4.957) 5.585 5.968 ( 2.683 -1.610 -1.287) 3.383 6.063 ( 0.741 -1.969 -2.529) 3.289 6.346 ( -5.520 0.835 6.413) 8.503 6.432 ( 2.308 0.969 -1.323) 2.831 6.697 ( -4.437 -1.252 -2.818) 5.403 6.851 ( 2.000 -0.098 1.824) 2.708 7.010 ( 0.235 -1.349 -5.308) 5.481 7.453 ( 3.105 -11.836 8.866) 15.111 7.542 ( -8.320 -17.544 -4.480) 19.927 7.713 ( -1.062 -12.931 -4.025) 13.584 7.815 ( -1.251 -1.509 5.446) 5.788 7.928 ( 0.907 -7.602 -4.653) 8.959 8.008 ( -0.458 -0.901 -0.601) 1.176 8.322 ( 0.359 -1.476 -2.133) 2.619 8.530 ( -2.617 9.961 6.110) 11.975 8.782 ( 3.539 8.265 -9.957) 13.416 9.064 ( -2.564 -4.792 -6.657) 8.594 9.164 ( 5.930 3.411 -6.168) 9.211 9.402 ( -3.793 12.444 -4.414) 13.738 9.502 ( 2.098 11.293 -2.851) 11.835 9.599 ( -2.086 3.140 2.283) 4.407 9.727 ( 6.525 11.905 1.708) 13.683 9.874 ( 2.780 -2.128 0.390) 3.522 10.014 ( 5.627 10.622 -5.809) 13.350 10.402 ( -1.644 -0.696 -6.679) 6.913 10.445 ( 4.182 3.230 -24.434) 24.999 10.720 ( -11.611 -0.812 0.040) 11.639 10.927 ( -1.931 3.591 -2.216) 4.640 11.109 ( -1.884 -8.711 2.592) 9.281 11.299 ( -0.758 -3.019 10.243) 10.706 11.537 ( -2.312 -10.543 -0.586) 10.809 11.592 ( -3.415 -5.826 13.518) 15.110 11.699 ( -4.728 0.957 8.055) 9.389 11.773 ( -4.974 -0.521 0.171) 5.004 12.007 ( 6.162 -9.917 -5.121) 12.750 12.132 ( 0.828 9.282 -4.423) 10.315 12.294 ( 2.650 -7.276 3.333) 8.430 12.316 ( 4.131 3.059 -5.335) 7.408 12.442 ( 3.137 3.507 0.784) 4.770 12.584 ( -7.086 2.294 -5.401) 9.200 12.793 ( -1.897 -9.582 4.899) 10.927 12.826 ( -2.051 -6.053 3.330) 7.206 12.933 ( -3.663 1.496 5.583) 6.843 13.115 ( -3.662 0.787 -2.210) 4.349 13.438 ( -4.219 15.492 6.277) 17.240 13.772 ( -18.044 9.522 3.363) 20.678 13.958 ( -14.223 1.246 4.664) 15.020 14.035 ( -1.820 2.565 0.924) 3.278 14.249 ( -0.100 1.363 1.340) 1.914 14.373 ( -0.243 4.362 -0.899) 4.461 14.567 ( -5.731 -7.532 -2.325) 9.746 14.941 ( -10.850 1.158 -2.240) 11.139 15.230 ( -2.243 5.101 2.781) 6.228 15.483 ( 2.659 -1.261 -3.125) 4.293 16.368 ( 5.359 -1.724 -7.267) 9.193 16.436 ( 6.088 0.855 -4.437) 7.581 16.588 ( 10.829 -2.573 -7.067) 13.185 16.652 ( 8.513 -0.942 -6.473) 10.736 17.097 ( -0.698 -3.119 7.607) 8.252 17.182 ( -2.032 -6.282 5.258) 8.440 17.429 ( 8.743 5.284 4.150) 11.026 17.627 ( 0.923 -3.233 10.254) 10.791 17.804 ( -3.543 1.146 2.360) 4.409 17.915 ( 9.214 -3.269 -0.782) 9.808 17.981 ( -3.537 -0.034 5.152) 6.249 18.086 ( 1.965 -2.218 5.046) 5.852 18.879 ( 8.973 2.896 -2.100) 9.660 19.196 ( -0.948 -3.108 -2.598) 4.160 19.273 ( 4.372 1.693 -9.364) 10.472 19.356 ( 3.284 -0.211 -4.372) 5.472 22.264 ( -4.012 6.078 0.895) 7.337 22.492 ( -3.756 2.520 3.190) 5.535 22.712 ( -3.841 -4.564 2.254) 6.377 22.808 ( -5.391 -2.881 3.353) 6.972 26.814 ( 10.538 1.115 -0.361) 10.603 26.894 ( 16.447 3.254 -4.747) 17.424 27.042 ( 1.138 -2.814 -2.830) 4.150 27.343 ( 10.966 -6.346 3.455) 13.132 30.043 ( 1.503 0.757 -2.865) 3.322 30.094 ( 0.660 1.344 -1.639) 2.219 30.158 ( 2.689 -0.436 -2.421) 3.644 30.185 ( 2.705 -0.142 -1.251) 2.983 31.469 ( -2.975 -1.850 2.664) 4.401 31.565 ( 1.171 -2.320 0.738) 2.701 31.712 ( 0.017 -0.651 -0.630) 0.906 31.774 ( 0.259 -1.151 0.075) 1.182 32.060 ( 2.650 12.717 1.876) 13.125 32.105 ( 4.750 14.492 -0.665) 15.265 32.704 ( -2.980 -4.045 -3.312) 6.017 32.896 ( 2.534 -3.078 -0.507) 4.019 33.009 ( -3.002 3.194 -0.873) 4.469 33.113 ( -3.901 5.960 -1.230) 7.228 33.209 ( -1.467 -2.039 -2.943) 3.869 33.369 ( -0.890 -3.432 -6.350) 7.273 34.214 ( 5.267 5.945 2.714) 8.394 34.602 ( -4.877 -1.808 -6.993) 8.715 35.387 ( 4.502 2.882 -1.510) 5.555 35.657 ( 3.964 -1.966 -11.677) 12.487 36.526 ( -6.412 -3.205 6.642) 9.773 36.948 ( -4.800 -12.595 8.917) 16.161 37.479 ( -14.421 -6.129 20.592) 25.875 37.644 ( -6.129 -3.047 7.629) 10.250======================= Grid point 44 (22/66) =======================q-point: ( 0.29 0.20 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 105Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.987 ( 14.145 0.090 23.696) 27.597 2.235 ( 3.058 4.366 23.930) 24.517 2.302 ( -0.156 5.796 23.099) 23.816 2.499 ( -0.731 4.696 12.280) 13.167 2.778 ( -3.970 4.158 1.667) 5.985 2.843 ( 3.687 3.768 4.364) 6.844 2.975 ( 7.159 1.480 -0.879) 7.363 3.027 ( 5.249 1.407 0.837) 5.499 3.079 ( -0.366 -1.668 4.581) 4.888 3.159 ( 5.142 -0.182 6.584) 8.356 3.190 ( 1.979 -1.204 -1.052) 2.544 3.271 ( 4.009 -0.754 5.545) 6.884 3.411 ( 3.011 0.584 2.844) 4.183 3.603 ( 11.604 -6.255 7.197) 15.019 3.697 ( 1.766 -3.873 5.747) 7.151 3.889 ( 12.275 7.631 13.536) 19.802 3.996 ( 6.019 3.229 3.755) 7.795 4.058 ( -0.207 -2.552 -3.986) 4.738 4.134 ( 4.988 7.067 -10.569) 13.658 4.156 ( 7.712 0.306 -12.671) 14.836 4.374 ( -0.264 -0.815 -6.702) 6.756 4.420 ( -5.956 -5.445 -3.086) 8.640 4.618 ( -1.613 12.795 -14.087) 19.099 4.884 ( -0.965 3.111 -1.715) 3.681 4.956 ( 22.943 -0.102 -1.439) 22.989 5.043 ( 17.400 1.807 -5.524) 18.345 5.247 ( 3.799 11.852 -0.349) 12.451 5.460 ( -7.297 -7.302 -6.578) 12.240 5.686 ( -0.900 1.814 0.376) 2.059 5.775 ( 1.717 -3.469 4.532) 5.959 5.973 ( -2.167 2.574 2.124) 3.979 6.094 ( 5.761 -0.542 -8.168) 10.010 6.327 ( -2.691 -3.959 8.070) 9.383 6.453 ( 0.204 2.667 -2.104) 3.403 6.571 ( -7.972 1.210 6.382) 10.283 6.917 ( 0.932 -3.815 -2.474) 4.641 6.970 ( 0.792 3.250 2.276) 4.047 7.318 ( -10.306 -11.474 -8.115) 17.427 7.502 ( -1.190 -9.313 6.682) 11.524 7.719 ( 3.092 -12.625 3.072) 13.356 7.851 ( 1.398 -2.216 -2.993) 3.978 7.861 ( -3.672 -5.741 -1.728) 7.031 8.055 ( 2.781 -0.404 -1.627) 3.248 8.280 ( -0.966 -2.045 -3.066) 3.810 8.478 ( -5.107 8.949 3.155) 10.776 8.797 ( 2.977 5.670 -7.303) 9.713 8.979 ( -2.250 -4.568 -8.029) 9.507 9.255 ( 4.162 -2.689 -8.210) 9.589 9.293 ( -4.725 10.490 -0.559) 11.519 9.473 ( -4.295 3.371 0.168) 5.463 9.571 ( -0.707 12.703 0.518) 12.733 9.813 ( -3.429 3.210 1.723) 5.003 9.852 ( 1.524 15.643 -1.380) 15.777 10.121 ( 6.221 2.720 -7.486) 10.106 10.308 ( -3.954 3.876 -2.930) 6.264 10.406 ( 4.208 1.803 -18.994) 19.538 10.500 ( -5.693 -3.549 -6.089) 9.060 10.785 ( -4.686 1.907 -8.706) 10.069 11.099 ( -0.926 -13.270 3.872) 13.854 11.259 ( -8.326 -2.828 -0.846) 8.834 11.466 ( -6.725 -3.017 6.941) 10.124 11.586 ( -1.874 -5.322 6.949) 8.952 11.676 ( -2.364 -1.425 12.272) 12.579 11.792 ( 0.629 -1.667 9.109) 9.282 12.041 ( 1.578 1.251 -2.435) 3.160 12.164 ( -0.617 -6.474 -0.271) 6.509 12.284 ( -1.062 -0.902 -0.864) 1.639 12.348 ( 2.127 -1.747 1.523) 3.146 12.438 ( -1.686 -0.760 -4.702) 5.052 12.564 ( 6.525 -0.272 -1.809) 6.777 12.753 ( -5.382 -9.973 0.641) 11.350 12.829 ( -0.441 -0.983 1.859) 2.148 12.906 ( -1.494 -1.858 12.048) 12.282 13.079 ( -0.597 1.650 0.611) 1.858 13.381 ( -2.619 5.586 7.607) 9.795 13.555 ( -7.640 2.105 5.800) 9.820 13.787 ( -6.870 3.782 1.340) 7.956 14.070 ( 2.088 -1.810 0.646) 2.838 14.239 ( -0.990 2.706 -1.239) 3.136 14.351 ( -3.453 -1.889 -0.338) 3.950 14.553 ( 9.054 4.770 -10.205) 14.452 14.790 ( -3.397 6.191 -4.651) 8.455 15.208 ( -2.796 4.811 7.113) 9.031 15.475 ( -2.861 0.036 -1.629) 3.293 16.374 ( -1.321 0.188 -3.224) 3.489 16.506 ( 3.830 -0.768 -5.943) 7.111 16.714 ( 4.781 -2.682 -1.548) 5.696 16.746 ( 4.615 -1.398 -1.414) 5.025 17.126 ( -2.648 -3.865 6.571) 8.070 17.225 ( 4.810 -6.680 1.840) 8.435 17.584 ( -1.884 2.886 0.096) 3.448 17.651 ( 7.182 4.176 4.964) 9.678 17.759 ( -1.821 1.745 1.984) 3.209 17.939 ( -1.897 1.633 3.354) 4.185 18.114 ( 6.694 -3.960 1.718) 7.965 18.148 ( 1.222 -3.706 4.439) 5.910 19.036 ( 7.057 -0.485 -2.882) 7.638 19.161 ( -0.108 -0.819 -4.307) 4.385 19.295 ( 3.940 1.981 -9.285) 10.279 19.387 ( 2.686 1.917 -4.447) 5.537 22.220 ( -1.558 3.604 2.170) 4.486 22.427 ( -4.214 1.325 2.978) 5.327 22.642 ( -4.783 -4.530 2.591) 7.079 22.703 ( -6.249 -2.178 3.652) 7.558 27.024 ( 7.396 -1.617 -2.097) 7.855 27.064 ( 5.192 -1.412 -0.055) 5.380 27.190 ( 15.998 1.535 -10.443) 19.166 27.618 ( 13.375 -7.642 6.839) 16.854 30.058 ( 1.950 0.694 -3.743) 4.278 30.092 ( 0.558 1.681 -2.323) 2.921 30.203 ( 2.185 -0.734 -0.662) 2.398 30.243 ( 3.793 -0.553 -1.429) 4.091 31.405 ( -3.975 0.798 0.992) 4.174 31.582 ( -0.532 1.278 1.371) 1.948 31.708 ( 0.337 -4.910 -0.652) 4.964 31.797 ( 0.986 -3.986 1.438) 4.351 32.151 ( 5.437 12.437 2.463) 13.795 32.233 ( 8.915 15.450 -2.108) 17.962 32.599 ( -4.962 -2.274 -3.734) 6.613 32.906 ( -2.713 5.602 -1.373) 6.374 32.984 ( -0.546 -0.430 2.419) 2.517 33.042 ( -2.506 3.264 2.162) 4.648 33.186 ( 0.267 -4.208 -0.430) 4.238 33.328 ( -0.161 -2.656 -2.159) 3.427 34.320 ( 3.826 -2.539 1.817) 4.939 34.488 ( -2.761 -1.506 -4.825) 5.759 35.434 ( 2.101 2.628 -4.220) 5.397 35.632 ( 1.655 -1.527 -15.456) 15.619 36.370 ( -11.220 -0.316 2.122) 11.423 36.866 ( -9.027 -14.797 12.710) 21.494 37.344 ( -9.684 5.033 15.487) 18.946 37.588 ( -3.752 -1.418 4.963) 6.381======================= Grid point 45 (23/66) =======================q-point: ( 0.43 0.20 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 105Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.172 ( -6.235 1.321 16.874) 18.037 2.342 ( -8.148 -3.417 14.809) 17.244 2.441 ( 6.579 2.269 20.021) 21.196 2.641 ( -1.143 -1.466 8.240) 8.447 2.698 ( -4.714 0.949 9.206) 10.387 2.875 ( -1.320 -0.327 3.316) 3.584 3.054 ( -1.353 -0.809 -3.771) 4.087 3.073 ( 1.785 0.404 -1.749) 2.532 3.084 ( -2.531 0.477 -0.760) 2.686 3.136 ( 1.029 2.706 1.596) 3.305 3.239 ( 0.061 -3.369 1.791) 3.816 3.373 ( 1.090 -11.084 0.933) 11.176 3.463 ( 3.854 -4.552 0.813) 6.020 3.590 ( -5.584 -2.953 -3.427) 7.187 3.781 ( -8.440 -9.597 2.342) 12.993 3.929 ( -1.906 2.962 -7.597) 8.374 3.973 ( -0.002 -6.448 -2.844) 7.048 4.097 ( 8.675 -2.641 -0.282) 9.073 4.204 ( 0.809 1.920 -0.917) 2.277 4.263 ( -4.054 4.328 -9.062) 10.831 4.386 ( 2.934 -4.662 5.190) 7.568 4.567 ( 13.395 14.037 14.857) 24.437 4.681 ( 14.856 13.823 -7.130) 21.508 4.716 ( 1.570 17.919 -1.935) 18.091 5.190 ( -13.981 6.885 3.854) 16.054 5.298 ( 4.008 -4.173 -1.327) 5.936 5.400 ( 8.556 6.780 -0.248) 10.920 5.570 ( 20.458 -0.915 -3.290) 20.741 5.691 ( 0.980 3.194 1.472) 3.651 5.836 ( 5.341 -3.481 -8.543) 10.660 5.957 ( -0.405 3.248 9.858) 10.387 6.117 ( 0.660 7.398 -12.051) 14.156 6.323 ( 1.220 -1.953 7.037) 7.404 6.460 ( 3.158 3.686 -1.137) 4.985 6.501 ( -4.811 0.561 6.838) 8.380 6.844 ( -1.497 -0.293 -4.220) 4.487 6.974 ( -6.679 -6.966 -7.075) 11.966 7.178 ( -0.065 0.366 8.915) 8.922 7.577 ( 4.305 -1.590 4.801) 6.642 7.613 ( -11.504 -0.267 -4.739) 12.445 7.840 ( 5.602 -15.774 0.285) 16.742 7.952 ( 5.163 -7.854 3.043) 9.880 8.042 ( -1.242 -0.840 -3.629) 3.926 8.298 ( 1.457 -6.461 -1.882) 6.886 8.412 ( -2.018 8.018 4.520) 9.423 8.763 ( -2.607 -0.080 -5.962) 6.508 8.927 ( 4.682 1.389 -10.854) 11.902 9.082 ( -10.118 0.249 -4.911) 11.250 9.272 ( -4.293 -0.983 1.678) 4.713 9.449 ( 4.528 6.281 -4.387) 8.899 9.568 ( 1.452 12.849 -4.383) 13.653 9.715 ( -4.926 10.665 -4.092) 12.440 9.843 ( -4.493 10.000 4.823) 11.977 10.086 ( -3.525 -0.404 -2.826) 4.536 10.302 ( 5.697 7.199 -6.276) 11.121 10.376 ( 2.646 -2.113 -15.518) 15.883 10.478 ( 6.776 1.235 -9.710) 11.904 10.751 ( 6.132 -6.657 -5.983) 10.850 11.052 ( -7.113 -2.773 -3.327) 8.328 11.067 ( -6.825 -2.810 -0.026) 7.381 11.411 ( -1.892 -3.653 5.466) 6.841 11.618 ( -0.338 -6.573 7.947) 10.318 11.676 ( -3.050 -0.733 6.450) 7.172 11.836 ( -2.227 -5.726 7.755) 9.894 12.002 ( -4.061 2.185 -3.200) 5.613 12.112 ( -1.069 -5.239 -1.649) 5.596 12.326 ( 2.760 -0.044 0.176) 2.766 12.430 ( 5.080 -5.411 5.587) 9.290 12.502 ( 5.048 -2.781 6.201) 8.466 12.624 ( -1.784 1.841 3.030) 3.969 12.665 ( 1.152 -5.683 -0.501) 5.820 12.837 ( -0.650 0.135 4.679) 4.726 12.936 ( -5.402 -0.816 2.741) 6.112 13.059 ( -1.748 -2.762 9.041) 9.614 13.406 ( -1.265 -10.297 3.427) 10.926 13.500 ( -0.871 -4.117 6.561) 7.794 13.719 ( -0.662 6.228 2.859) 6.885 14.065 ( -4.278 -3.325 2.424) 5.936 14.241 ( 2.947 3.574 -1.068) 4.754 14.314 ( 1.141 0.639 -1.856) 2.271 14.594 ( 0.429 11.132 -11.539) 16.039 14.839 ( 12.440 3.275 -9.175) 15.800 15.208 ( -2.847 4.749 9.580) 11.065 15.354 ( -8.456 2.972 0.791) 8.998 16.310 ( -2.838 3.859 -3.500) 5.933 16.500 ( 0.269 -1.946 -7.105) 7.372 16.730 ( 0.136 -1.238 -10.307) 10.382 16.826 ( 0.844 -1.933 8.522) 8.779 17.112 ( -1.954 -3.665 4.869) 6.400 17.322 ( 2.679 -6.397 4.494) 8.264 17.569 ( 0.087 1.657 1.242) 2.073 17.708 ( -1.046 -1.501 4.422) 4.786 17.803 ( 1.866 4.952 4.061) 6.671 17.988 ( 5.790 4.014 -0.751) 7.085 18.161 ( -2.578 -4.511 3.136) 6.068 18.197 ( 0.836 -1.490 2.890) 3.357 19.059 ( 1.059 -0.375 -8.933) 9.003 19.156 ( -0.176 -3.125 -4.281) 5.303 19.340 ( 5.518 3.904 -6.532) 9.400 19.410 ( 2.304 4.214 -3.997) 6.249 22.222 ( -0.116 2.066 3.284) 3.881 22.383 ( -1.445 0.036 2.070) 2.525 22.559 ( -5.331 -3.027 4.401) 7.547 22.644 ( -1.538 -2.700 1.929) 3.657 27.021 ( -1.434 0.629 -5.389) 5.612 27.215 ( 6.532 -5.437 -4.258) 9.506 27.390 ( 7.497 3.312 0.645) 8.222 27.911 ( 10.961 -11.078 10.176) 18.612 30.069 ( 1.151 1.273 -3.526) 3.921 30.092 ( 1.470 0.895 -3.687) 4.069 30.226 ( 0.189 -0.267 0.369) 0.493 30.298 ( 2.251 -1.331 -1.389) 2.961 31.352 ( -1.534 2.514 0.893) 3.078 31.558 ( -1.888 3.822 -0.767) 4.331 31.721 ( 0.786 -8.116 0.591) 8.175 31.810 ( -0.551 -4.109 1.219) 4.321 32.257 ( 1.385 9.780 1.116) 9.941 32.404 ( 9.159 15.452 -2.805) 18.180 32.533 ( 2.293 1.919 0.816) 3.100 32.790 ( -7.156 9.636 0.046) 12.003 32.986 ( -0.641 -0.665 2.116) 2.309 33.045 ( 0.181 2.397 3.371) 4.141 33.210 ( 1.433 -4.654 2.013) 5.269 33.352 ( 2.696 -2.720 2.227) 4.430 34.392 ( 4.091 -5.055 -0.089) 6.503 34.444 ( -0.835 -3.732 0.005) 3.824 35.416 ( -0.369 1.244 -7.881) 7.987 35.522 ( -1.676 -1.347 -23.896) 23.992 36.156 ( -11.069 2.949 2.232) 11.670 36.782 ( -6.234 -14.656 9.880) 18.743 37.273 ( -5.865 7.774 10.827) 14.562 37.558 ( -2.203 -1.669 4.559) 5.331======================= Grid point 46 (24/66) =======================q-point: (-0.43 0.20 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 105Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.016 ( -24.272 2.426 -12.168) 27.259 2.105 ( -9.565 11.078 9.815) 17.622 2.391 ( -23.841 -3.365 15.225) 28.487 2.646 ( -0.331 -3.147 20.940) 21.178 2.789 ( 5.136 -5.371 9.292) 11.898 2.885 ( -2.966 -0.199 -1.741) 3.445 2.930 ( -1.107 -0.079 -2.076) 2.354 3.036 ( -2.475 -1.382 -1.465) 3.191 3.100 ( 0.786 0.796 -0.683) 1.311 3.170 ( -0.116 4.161 -2.915) 5.081 3.214 ( -3.399 -2.262 4.130) 5.808 3.315 ( -3.022 -3.108 -4.778) 6.451 3.481 ( -8.562 -2.016 7.422) 11.509 3.512 ( -7.524 -1.089 4.112) 8.643 3.701 ( 2.307 -11.901 3.136) 12.522 3.805 ( -7.775 6.935 3.278) 10.922 3.872 ( -7.015 0.705 -10.274) 12.461 4.135 ( 0.641 1.511 -0.343) 1.677 4.197 ( -0.084 -4.943 -2.227) 5.422 4.330 ( 6.221 -2.032 -0.784) 6.591 4.409 ( 0.733 -2.599 7.676) 8.137 4.700 ( 5.683 8.639 8.456) 13.357 4.828 ( -8.882 10.172 1.267) 13.564 4.932 ( 14.501 1.811 -3.077) 14.934 5.179 ( -9.156 -1.004 1.802) 9.386 5.236 ( 6.229 2.669 -2.094) 7.093 5.278 ( -10.034 2.361 -11.211) 15.230 5.646 ( -7.223 10.077 9.541) 15.645 5.739 ( -4.881 -0.755 -7.860) 9.283 5.770 ( -2.085 5.663 3.013) 6.745 6.047 ( 0.638 3.274 4.732) 5.790 6.167 ( 7.585 11.468 -4.974) 14.621 6.331 ( -3.807 1.229 -3.105) 5.064 6.467 ( -1.810 -5.534 7.153) 9.223 6.563 ( 8.280 -0.031 -4.349) 9.353 6.819 ( -3.050 1.719 5.598) 6.603 6.963 ( 15.128 -1.905 -6.439) 16.551 7.244 ( 0.500 -0.506 6.106) 6.148 7.340 ( -9.766 -4.603 -7.645) 13.229 7.733 ( 4.163 -0.134 8.192) 9.190 7.910 ( -0.347 -9.883 2.223) 10.136 7.995 ( -0.257 -2.542 -4.465) 5.144 8.118 ( 7.389 -10.292 3.787) 13.223 8.233 ( -3.949 -5.871 -2.680) 7.566 8.445 ( -0.129 3.388 5.631) 6.573 8.775 ( 9.257 1.011 -7.621) 12.033 8.896 ( -3.104 -0.414 -7.219) 7.869 9.009 ( 9.476 3.860 -11.540) 15.423 9.226 ( 0.037 -3.080 0.629) 3.144 9.528 ( 1.837 10.340 -2.402) 10.774 9.545 ( -3.912 10.897 -3.202) 12.012 9.610 ( 4.070 11.280 -6.228) 13.513 9.797 ( -1.888 7.113 2.307) 7.713 10.039 ( 2.139 -4.882 -8.324) 9.884 10.264 ( -4.730 4.193 -8.255) 10.397 10.424 ( 8.949 3.657 -8.675) 12.989 10.593 ( 6.327 -1.674 -3.420) 7.385 10.843 ( -4.072 -2.550 -4.281) 6.435 10.945 ( 9.386 -4.075 -4.405) 11.141 10.993 ( 0.471 -1.542 -1.780) 2.402 11.443 ( 2.333 -0.138 3.754) 4.422 11.614 ( -2.238 -2.210 -1.807) 3.628 11.673 ( -2.322 -0.779 9.994) 10.289 11.790 ( -5.560 -10.196 4.729) 12.539 11.946 ( 1.210 -5.273 -0.601) 5.444 12.120 ( 2.212 0.339 -2.127) 3.087 12.322 ( -1.669 -5.186 1.214) 5.582 12.494 ( -1.872 2.683 1.806) 3.737 12.626 ( -2.568 4.884 3.624) 6.601 12.648 ( 2.556 -4.150 -0.979) 4.971 12.748 ( -4.151 2.392 2.226) 5.283 12.798 ( 4.380 -5.331 15.101) 16.602 12.863 ( -0.124 -2.085 5.774) 6.141 13.084 ( -1.318 -5.700 4.711) 7.512 13.426 ( -1.203 -8.502 13.125) 15.684 13.509 ( -2.484 -4.088 4.519) 6.580 13.802 ( 5.852 3.365 5.213) 8.529 13.974 ( -4.346 -1.356 0.032) 4.553 14.270 ( -2.559 6.732 -0.162) 7.204 14.381 ( 6.544 -0.191 2.179) 6.900 14.591 ( 9.334 5.799 -12.292) 16.488 15.006 ( 4.359 -1.495 -5.243) 6.981 15.128 ( -5.406 1.891 -0.951) 5.806 15.265 ( -2.365 4.796 5.936) 7.989 16.233 ( -1.658 4.353 -6.450) 7.956 16.459 ( -1.242 2.988 -3.617) 4.853 16.636 ( -2.269 -2.924 -9.671) 10.355 16.836 ( -4.600 -2.314 5.755) 7.722 17.109 ( -1.228 -1.940 4.262) 4.841 17.373 ( -0.716 -5.242 5.945) 7.958 17.592 ( 1.403 1.942 1.422) 2.786 17.733 ( 1.087 -1.386 3.775) 4.166 17.861 ( 1.847 1.943 3.621) 4.506 18.075 ( -3.864 -2.669 -1.959) 5.088 18.105 ( 2.831 2.235 0.565) 3.651 18.200 ( -2.802 -0.148 7.215) 7.741 19.035 ( 0.842 -1.475 -8.389) 8.559 19.076 ( -2.636 -3.060 -7.835) 8.815 19.387 ( 1.966 4.079 -4.922) 6.688 19.429 ( 2.120 5.400 -4.506) 7.346 22.247 ( 0.104 1.450 4.431) 4.664 22.408 ( 3.285 -1.469 1.062) 3.752 22.504 ( -2.832 -1.588 3.859) 5.044 22.654 ( 0.971 -2.949 2.257) 3.838 26.925 ( -4.964 2.350 -4.896) 7.357 27.250 ( 1.022 -6.419 -7.055) 9.593 27.472 ( -1.746 2.713 6.758) 7.488 28.140 ( 5.030 -18.855 12.280) 23.057 30.059 ( 0.254 1.807 -3.649) 4.080 30.105 ( 1.934 0.054 -4.001) 4.444 30.213 ( -1.716 -0.318 0.443) 1.801 30.303 ( -0.870 -1.085 -1.163) 1.813 31.362 ( 1.373 1.550 1.495) 2.555 31.516 ( -0.979 3.483 -2.416) 4.350 31.739 ( 0.421 -7.486 1.550) 7.657 31.795 ( -1.356 -2.788 0.419) 3.129 32.191 ( -5.797 8.803 -0.494) 10.552 32.462 ( -5.113 17.645 -0.632) 18.382 32.686 ( 7.034 -0.319 2.480) 7.465 32.753 ( 8.187 12.553 0.119) 14.987 32.993 ( 0.059 -0.358 2.544) 2.570 33.072 ( 0.428 2.213 4.610) 5.131 33.253 ( 1.552 -1.981 2.325) 3.426 33.450 ( 5.230 -4.085 3.089) 7.320 34.439 ( -0.742 -5.848 4.829) 7.620 34.517 ( 8.172 -3.795 3.069) 9.519 35.241 ( -7.796 0.846 -34.328) 35.213 35.346 ( -2.291 -0.220 -11.979) 12.198 36.005 ( -6.747 5.311 6.134) 10.553 36.742 ( -2.354 -14.464 4.633) 15.369 37.248 ( -3.041 7.687 10.541) 13.396 37.556 ( -0.667 -1.978 4.032) 4.540======================= Grid point 47 (25/66) =======================q-point: (-0.29 0.20 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 105Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.427 ( -25.538 14.202 -10.165) 30.939 1.834 ( -24.935 14.405 11.712) 31.087 2.046 ( -15.033 9.095 6.457) 18.719 2.642 ( -20.374 17.110 -0.173) 26.606 2.789 ( -0.977 -7.585 17.743) 19.321 2.835 ( -6.863 -2.339 3.289) 7.962 2.941 ( -0.175 -2.787 2.068) 3.475 2.992 ( -2.393 -2.396 3.208) 4.665 3.044 ( -6.749 6.262 3.369) 9.804 3.102 ( -4.272 0.549 6.117) 7.482 3.184 ( -2.285 -0.004 2.536) 3.413 3.225 ( -4.558 -1.529 3.107) 5.724 3.363 ( -2.557 2.070 4.981) 5.970 3.437 ( -4.055 -7.131 5.072) 9.644 3.614 ( -7.111 10.884 -0.652) 13.017 3.706 ( -5.975 -4.524 -1.876) 7.725 3.804 ( -3.475 -1.732 10.716) 11.398 4.081 ( -2.049 -2.441 -1.855) 3.688 4.198 ( -2.371 5.951 1.147) 6.508 4.375 ( -5.302 -5.430 -2.759) 8.075 4.455 ( -0.521 -1.011 -5.731) 5.842 4.613 ( -7.748 9.486 -0.019) 12.248 4.807 ( -12.585 2.026 -10.516) 16.525 4.848 ( -2.751 3.737 -2.234) 5.150 4.998 ( -4.606 -16.467 3.208) 17.397 5.184 ( -7.665 1.678 1.190) 7.936 5.270 ( 13.411 -5.711 0.351) 14.581 5.520 ( -2.175 -1.181 -5.970) 6.463 5.701 ( -5.326 3.804 4.972) 8.219 5.834 ( 7.250 8.584 3.549) 11.783 5.989 ( -7.029 3.144 5.880) 9.689 6.204 ( 2.829 7.345 -0.792) 7.911 6.364 ( 1.769 2.737 -4.868) 5.858 6.419 ( 0.701 -0.582 -3.968) 4.072 6.687 ( 2.565 -2.842 3.712) 5.333 6.877 ( 4.962 1.042 2.262) 5.552 7.106 ( -3.966 -8.082 -11.733) 14.789 7.217 ( 8.025 2.611 -8.318) 11.850 7.376 ( 7.351 -5.102 14.708) 17.216 7.780 ( -1.847 -2.319 1.033) 3.140 7.852 ( -6.445 -7.020 -0.079) 9.530 7.977 ( 0.099 -6.278 -3.608) 7.242 8.107 ( -0.305 -8.350 2.990) 8.875 8.308 ( 2.745 -9.911 3.560) 10.883 8.466 ( -0.221 4.170 2.060) 4.656 8.786 ( 1.265 7.662 -8.632) 11.611 9.036 ( 12.098 -2.656 -4.535) 13.190 9.131 ( 9.651 5.481 -11.522) 15.998 9.269 ( 4.345 -4.054 -1.421) 6.110 9.410 ( -1.882 13.655 -5.861) 14.978 9.603 ( 1.101 12.087 5.051) 13.146 9.645 ( 0.723 4.245 -2.539) 4.999 9.811 ( 0.803 2.244 -5.848) 6.315 10.009 ( 2.800 4.338 -12.741) 13.747 10.218 ( 5.787 3.228 -3.702) 7.590 10.512 ( 3.426 3.226 -3.037) 5.601 10.613 ( -1.261 -3.798 -2.165) 4.550 10.733 ( 0.122 1.861 -10.408) 10.573 11.063 ( 7.428 -5.197 -2.344) 9.364 11.181 ( 11.278 -6.698 0.899) 13.148 11.538 ( 2.533 -1.276 2.769) 3.964 11.566 ( 1.801 2.732 -2.483) 4.108 11.678 ( -3.381 -5.652 7.857) 10.252 11.741 ( -0.246 -3.105 2.248) 3.841 11.995 ( 2.272 -9.930 -0.178) 10.188 12.166 ( 4.124 6.640 -1.634) 7.985 12.285 ( -2.547 -4.223 -3.526) 6.062 12.414 ( -12.007 8.443 3.586) 15.110 12.450 ( -3.337 3.063 0.879) 4.614 12.673 ( 0.646 -1.200 -1.293) 1.878 12.793 ( 2.512 0.041 2.778) 3.745 12.862 ( -0.187 -6.673 3.058) 7.343 13.005 ( 0.620 4.313 10.722) 11.573 13.100 ( 1.533 -9.801 8.030) 12.763 13.452 ( -3.957 6.494 0.785) 7.645 13.539 ( 2.802 -4.595 24.645) 25.225 13.906 ( 0.106 0.564 1.848) 1.935 13.999 ( 7.750 -1.246 3.499) 8.594 14.188 ( -3.308 9.031 -0.004) 9.618 14.585 ( 10.461 -3.300 8.745) 14.028 14.777 ( 11.601 -0.334 -5.293) 12.755 14.852 ( -10.778 2.881 3.438) 11.675 15.131 ( -0.961 -2.349 -0.951) 2.710 15.262 ( 3.515 -2.077 -9.080) 9.955 16.188 ( 1.769 2.178 -7.693) 8.189 16.396 ( -1.794 5.360 -5.688) 8.019 16.580 ( -1.245 -6.174 0.646) 6.331 16.730 ( -7.131 -0.991 1.628) 7.381 17.110 ( -1.338 -0.329 4.265) 4.482 17.364 ( -3.865 -3.199 6.638) 8.321 17.632 ( 1.252 2.698 0.209) 2.981 17.786 ( 1.548 -1.933 2.898) 3.812 17.886 ( -1.210 1.103 -0.137) 1.642 17.963 ( -4.377 -2.197 -0.296) 4.906 18.086 ( -7.156 1.355 4.252) 8.433 18.236 ( 0.743 -2.141 6.899) 7.262 18.904 ( -5.747 -2.633 -9.853) 11.707 19.066 ( 3.565 -2.900 -7.142) 8.493 19.360 ( -0.948 2.980 -5.751) 6.547 19.424 ( 0.194 4.685 -6.090) 7.686 22.275 ( 0.297 2.138 4.808) 5.270 22.479 ( 0.281 0.775 -0.914) 1.231 22.532 ( 6.299 -2.996 3.833) 7.959 22.699 ( 1.850 -3.115 2.848) 4.609 26.791 ( -5.680 3.556 -3.373) 7.502 27.195 ( -2.211 -6.491 -5.239) 8.630 27.401 ( -8.954 0.930 6.125) 10.888 28.196 ( -8.378 -33.692 8.497) 35.742 30.044 ( 0.641 1.419 -3.986) 4.280 30.111 ( 0.492 0.664 -2.987) 3.099 30.170 ( -2.244 -0.836 -0.683) 2.490 30.262 ( -2.342 -0.172 -1.083) 2.586 31.390 ( 0.484 -0.258 0.329) 0.639 31.514 ( 1.959 1.013 -0.898) 2.381 31.752 ( -0.435 -4.525 1.784) 4.884 31.773 ( -0.500 -1.330 -0.127) 1.427 32.083 ( -4.643 11.607 -0.033) 12.501 32.290 ( -9.783 16.111 0.127) 18.849 32.797 ( 3.473 -2.988 -0.785) 4.648 32.935 ( 5.530 5.075 0.782) 7.547 33.011 ( 0.878 1.250 1.840) 2.391 33.162 ( 6.299 4.203 5.990) 9.655 33.292 ( 1.203 1.020 1.178) 1.968 33.552 ( 4.948 -4.018 -7.460) 9.813 34.489 ( 2.044 1.377 -4.522) 5.150 34.736 ( 10.085 -0.961 10.943) 14.913 34.851 ( -8.450 4.491 -21.312) 23.362 35.229 ( -1.596 -2.234 -13.053) 13.339 35.964 ( -2.609 6.306 11.246) 13.154 36.750 ( 1.285 -13.450 2.170) 13.684 37.284 ( -0.322 5.380 12.999) 14.072 37.576 ( 0.306 -2.225 3.619) 4.259======================= Grid point 48 (26/66) =======================q-point: (-0.14 0.20 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 105Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.059 ( -9.672 30.305 12.297) 34.105 1.456 ( -21.309 23.165 26.773) 41.322 1.869 ( -8.317 16.698 6.738) 19.834 2.115 ( -28.226 38.097 18.028) 50.726 2.697 ( -5.654 -5.793 -1.297) 8.198 2.855 ( -4.636 -2.112 7.257) 8.867 2.906 ( -6.620 -4.532 6.561) 10.364 2.960 ( -4.996 -0.475 2.402) 5.564 2.998 ( 1.004 -1.034 8.615) 8.734 3.026 ( -6.397 2.534 8.687) 11.081 3.149 ( -4.624 -0.139 2.897) 5.458 3.155 ( -2.301 -0.427 1.252) 2.654 3.346 ( 0.252 0.418 -2.115) 2.170 3.382 ( -7.503 -4.291 6.730) 10.955 3.490 ( -10.678 -0.528 6.545) 12.535 3.618 ( 0.938 7.421 -2.273) 7.817 3.746 ( -7.172 -1.917 9.127) 11.765 3.966 ( -7.472 9.157 -4.417) 12.617 4.172 ( 3.882 -0.009 -1.469) 4.151 4.250 ( -5.321 2.335 -6.629) 8.815 4.310 ( -3.777 -0.283 -2.864) 4.748 4.476 ( -8.229 7.943 -4.881) 12.435 4.621 ( -0.416 1.364 -11.146) 11.237 4.730 ( 0.192 -0.613 -3.734) 3.788 4.989 ( -2.993 3.051 -0.191) 4.279 5.161 ( 0.730 -14.718 6.543) 16.124 5.504 ( 4.876 -5.557 -5.384) 9.146 5.531 ( 9.848 -8.135 -0.258) 12.776 5.620 ( -8.571 -0.505 13.453) 15.959 5.875 ( 0.153 -4.787 -0.506) 4.816 5.999 ( 1.763 2.329 0.858) 3.044 6.184 ( -6.515 3.092 -0.717) 7.247 6.305 ( 1.021 1.543 -8.581) 8.778 6.515 ( 8.019 0.462 -1.868) 8.247 6.732 ( -1.158 1.659 7.552) 7.818 6.943 ( -1.213 -8.658 -9.727) 13.078 6.979 ( 0.253 -1.161 -6.654) 6.759 7.270 ( 3.854 5.668 -5.856) 9.015 7.603 ( 6.077 -10.097 7.261) 13.842 7.724 ( -2.798 -6.491 1.744) 7.281 7.764 ( -1.275 -11.244 0.696) 11.337 7.956 ( 0.424 -8.197 -2.720) 8.647 8.165 ( 1.710 -5.931 1.315) 6.311 8.311 ( -2.963 -11.402 2.155) 11.976 8.463 ( -1.020 6.240 4.210) 7.596 8.765 ( 1.317 10.324 -8.539) 13.462 9.138 ( 2.718 5.553 -3.511) 7.110 9.222 ( 3.435 3.189 -5.691) 7.373 9.377 ( 6.749 8.310 -5.654) 12.107 9.423 ( 7.301 -0.934 -6.059) 9.533 9.596 ( -3.420 6.871 -0.005) 7.675 9.638 ( -1.510 13.626 -0.784) 13.732 9.709 ( -1.168 -3.374 -4.784) 5.969 10.057 ( 0.334 13.346 -3.110) 13.708 10.318 ( 9.301 -4.394 -10.281) 14.543 10.569 ( 1.698 -1.964 -10.523) 10.838 10.637 ( 11.190 6.085 -2.246) 12.934 10.731 ( 3.459 4.769 -3.045) 6.632 11.153 ( 0.222 -9.629 0.016) 9.631 11.337 ( 3.251 -7.201 3.488) 8.637 11.520 ( -2.466 -1.497 -2.770) 3.999 11.610 ( -1.459 -11.867 4.990) 12.956 11.678 ( 2.227 -1.040 1.929) 3.125 11.810 ( 3.892 4.310 3.464) 6.762 12.003 ( -0.939 -3.358 -1.554) 3.817 12.164 ( -5.460 1.472 -2.197) 6.067 12.254 ( 4.322 10.700 -3.236) 11.985 12.303 ( -0.840 5.007 -0.406) 5.093 12.398 ( -2.628 1.817 1.277) 3.440 12.679 ( 0.481 -1.888 0.049) 1.949 12.832 ( -0.530 0.149 2.923) 2.974 12.873 ( -1.090 -3.102 3.808) 5.031 12.992 ( -1.803 -0.242 0.666) 1.937 13.189 ( 0.588 -4.668 6.016) 7.638 13.395 ( -1.514 11.916 1.935) 12.166 13.828 ( 11.317 -2.790 3.901) 12.291 13.948 ( 3.890 0.770 -0.159) 3.969 14.154 ( 5.241 1.277 7.043) 8.871 14.253 ( 8.156 0.637 14.255) 16.436 14.617 ( -12.801 2.438 5.868) 14.292 14.869 ( 4.459 -3.208 13.278) 14.369 14.964 ( 9.389 0.435 6.370) 11.355 15.120 ( 6.085 1.962 -3.816) 7.446 15.301 ( 7.383 -5.123 -12.231) 15.177 16.225 ( 8.057 -1.788 -12.044) 14.600 16.359 ( 1.427 0.612 -4.771) 5.017 16.491 ( -6.180 -3.198 -2.278) 7.322 16.713 ( 0.503 -9.282 15.176) 17.796 17.107 ( -1.782 1.447 4.294) 4.869 17.320 ( -4.001 -1.363 5.761) 7.145 17.549 ( -12.321 0.571 -3.966) 12.957 17.668 ( -21.814 -3.458 -3.797) 22.411 17.871 ( -0.095 2.052 3.557) 4.108 17.921 ( -2.329 -0.228 -1.042) 2.561 17.958 ( -1.141 -0.414 3.557) 3.758 18.207 ( -9.752 -7.285 7.248) 14.167 18.749 ( -2.681 2.129 -8.650) 9.303 19.113 ( 5.540 -3.403 -5.945) 8.810 19.310 ( -0.178 0.744 -5.992) 6.041 19.361 ( -2.302 1.599 -6.718) 7.280 22.337 ( 4.037 6.418 2.836) 8.095 22.463 ( -1.009 2.331 -0.958) 2.715 22.693 ( 6.825 -2.755 3.094) 7.984 22.748 ( 1.339 -3.443 2.990) 4.753 26.691 ( -2.529 4.190 -1.170) 5.032 27.128 ( -2.280 -6.561 -1.598) 7.128 27.235 ( -9.366 -1.578 2.692) 9.872 27.743 ( -42.729 -39.317 -4.598) 58.247 30.040 ( 1.245 0.841 -3.633) 3.931 30.078 ( -1.631 2.253 -1.362) 3.097 30.145 ( 0.568 -1.359 -2.324) 2.752 30.207 ( -2.320 0.345 -1.940) 3.043 31.407 ( 1.608 0.562 0.989) 1.970 31.550 ( 1.166 -3.630 0.255) 3.821 31.735 ( -1.443 -0.756 0.662) 1.758 31.784 ( 1.048 -0.964 -0.349) 1.466 32.021 ( -1.677 13.233 0.252) 13.341 32.132 ( -6.009 14.259 0.098) 15.474 32.812 ( -1.254 -5.508 0.241) 5.654 32.918 ( -4.494 -5.009 0.305) 6.736 33.091 ( 3.643 2.318 0.749) 4.383 33.283 ( 1.210 0.301 -0.677) 1.419 33.311 ( 0.553 -1.077 -1.454) 1.892 33.494 ( 0.547 5.545 -26.918) 27.489 34.223 ( -7.574 25.675 -24.495) 36.285 34.826 ( -0.154 -0.494 0.847) 0.993 35.141 ( 10.251 -4.474 5.489) 12.459 35.253 ( 20.216 -3.711 7.176) 21.770 36.089 ( 6.977 5.037 27.475) 28.791 36.819 ( 3.980 -11.871 3.576) 13.021 37.404 ( 3.413 -2.722 19.752) 20.228 37.609 ( 0.871 -2.520 3.965) 4.778======================= Grid point 49 (27/66) =======================q-point: ( 0.00 0.40 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 105Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.792 ( 4.950 22.885 26.287) 35.203 1.940 ( 2.313 22.296 16.048) 27.568 2.163 ( -1.592 6.156 15.213) 16.488 2.462 ( 3.727 -13.551 4.043) 14.625 2.563 ( -5.275 -4.686 21.494) 22.623 2.672 ( -6.021 3.910 11.148) 13.259 2.849 ( 0.586 4.647 -2.740) 5.426 2.887 ( -3.729 1.230 1.991) 4.403 3.000 ( -1.365 2.215 1.727) 3.123 3.053 ( -1.262 -1.447 2.498) 3.150 3.107 ( 1.596 3.159 4.688) 5.874 3.205 ( -1.157 -3.164 6.462) 7.288 3.264 ( 1.328 3.297 9.318) 9.973 3.334 ( 0.056 -0.921 3.974) 4.080 3.431 ( -2.654 7.448 11.801) 14.205 3.578 ( -3.840 -5.014 7.242) 9.609 3.915 ( -1.659 18.729 1.142) 18.837 4.096 ( 3.588 7.063 -5.240) 9.499 4.188 ( -1.451 2.924 -7.762) 8.421 4.295 ( 2.851 -1.991 -5.406) 6.428 4.302 ( -1.600 -1.811 -5.630) 6.127 4.484 ( -1.176 -0.112 -4.451) 4.605 4.635 ( 1.516 2.765 -4.305) 5.337 4.763 ( 4.093 -17.778 2.754) 18.449 4.838 ( 3.719 15.316 -2.840) 16.015 5.194 ( -1.041 13.062 -1.133) 13.152 5.298 ( 4.337 -18.226 -8.998) 20.784 5.448 ( -2.032 -10.065 2.630) 10.600 5.591 ( -1.407 6.662 -5.976) 9.060 5.766 ( -5.938 -1.778 -0.483) 6.218 5.778 ( 1.830 -6.473 -4.241) 7.952 5.947 ( -1.252 -12.575 -0.121) 12.638 6.425 ( 1.309 5.299 -1.228) 5.594 6.527 ( -5.133 -4.003 2.231) 6.881 6.739 ( 1.301 0.218 -9.784) 9.872 6.807 ( 3.627 -6.092 -5.420) 8.925 7.006 ( -5.334 13.206 -1.322) 14.304 7.231 ( -3.761 -7.521 2.921) 8.902 7.411 ( -3.821 -5.980 -0.835) 7.145 7.489 ( -1.638 -10.305 -6.794) 12.451 7.745 ( 4.502 2.755 5.114) 7.349 7.823 ( 3.354 -4.274 3.728) 6.589 8.019 ( -1.572 -1.362 0.400) 2.118 8.111 ( 0.719 -9.256 3.559) 9.943 8.707 ( 1.743 10.515 3.135) 11.110 8.927 ( 1.358 -9.262 -2.820) 9.776 8.997 ( -0.601 11.132 -5.776) 12.556 9.273 ( -3.867 -10.539 -6.968) 13.213 9.540 ( 3.057 3.306 -3.492) 5.698 9.573 ( 9.031 -1.240 -5.807) 10.808 9.677 ( 4.397 11.171 -2.875) 12.345 9.780 ( 4.628 3.020 -0.656) 5.565 10.073 ( 0.453 17.319 -2.302) 17.477 10.203 ( -2.115 6.030 -2.513) 6.867 10.420 ( 6.831 3.281 -12.772) 14.851 10.518 ( 4.795 -3.058 -17.131) 18.050 10.872 ( 1.506 1.626 0.369) 2.247 10.898 ( -0.245 -0.856 3.530) 3.641 10.983 ( -0.129 -0.526 -0.092) 0.549 11.097 ( 0.981 -12.417 -2.958) 12.802 11.432 ( -1.651 -3.657 12.206) 12.849 11.437 ( -2.889 -3.213 8.583) 9.609 11.696 ( -0.271 1.873 6.908) 7.162 11.790 ( -1.499 -6.369 7.510) 9.961 12.008 ( -3.658 5.119 -4.562) 7.772 12.110 ( 0.679 -4.593 -6.150) 7.706 12.331 ( -2.103 4.329 -4.939) 6.896 12.401 ( -2.585 -0.462 -1.925) 3.256 12.533 ( 1.497 9.560 -5.698) 11.230 12.639 ( -0.277 -0.548 -6.057) 6.088 12.730 ( -4.182 -4.133 4.148) 7.195 12.740 ( -1.870 -6.486 1.095) 6.838 13.016 ( -1.355 4.263 5.714) 7.256 13.116 ( -0.803 -4.732 2.905) 5.610 13.789 ( 5.564 13.803 -3.786) 15.356 13.930 ( 5.268 -1.324 -8.222) 9.854 14.089 ( -0.477 4.602 2.289) 5.162 14.195 ( -1.646 -5.029 4.586) 7.002 14.400 ( -8.829 9.670 7.725) 15.204 14.511 ( -2.127 2.683 -0.060) 3.424 14.630 ( -14.112 -2.048 7.926) 16.314 14.876 ( -2.713 -19.295 6.445) 20.523 15.319 ( 2.231 2.913 5.262) 6.415 15.426 ( 2.368 -6.990 7.140) 10.269 16.254 ( 10.649 2.933 -12.590) 16.748 16.337 ( 10.126 -4.781 -12.551) 16.820 16.470 ( 2.212 2.500 -4.224) 5.384 16.519 ( 3.472 -2.000 -6.512) 7.647 17.140 ( -10.897 3.267 6.652) 13.179 17.168 ( -13.811 0.604 9.795) 16.943 17.342 ( 4.474 0.561 5.914) 7.437 17.365 ( -3.825 -1.174 6.642) 7.754 17.911 ( -2.905 2.271 0.277) 3.697 17.926 ( -3.009 0.974 3.249) 4.534 17.980 ( 1.588 -0.900 4.243) 4.618 18.005 ( -3.239 -2.210 4.105) 5.676 18.895 ( 4.699 8.483 -3.429) 10.286 19.074 ( 4.067 -8.208 -3.726) 9.889 19.273 ( 1.707 1.363 -6.879) 7.217 19.304 ( 1.774 -1.361 -6.423) 6.801 22.487 ( -3.294 5.568 -0.532) 6.491 22.561 ( 0.876 0.516 -0.909) 1.364 22.680 ( -0.916 -0.750 4.096) 4.263 22.744 ( 1.963 -4.486 2.989) 5.737 26.819 ( 1.860 6.910 1.704) 7.356 26.894 ( -7.161 4.730 1.122) 8.656 26.972 ( -3.808 -6.217 1.570) 7.457 27.039 ( 0.211 -7.479 0.300) 7.488 30.079 ( 0.816 2.413 -2.033) 3.259 30.104 ( 0.936 1.833 -2.293) 3.081 30.125 ( 1.715 -1.848 -1.914) 3.165 30.145 ( -0.586 -1.669 -2.215) 2.834 31.454 ( 0.244 0.363 2.733) 2.767 31.481 ( -0.118 -2.410 1.686) 2.943 31.739 ( 0.011 1.556 -0.198) 1.568 31.770 ( -0.057 -1.278 -0.361) 1.330 32.295 ( 0.036 13.478 0.663) 13.495 32.361 ( -0.154 13.340 -1.596) 13.436 32.595 ( -1.422 -9.987 1.453) 10.192 32.674 ( 0.566 -11.611 0.159) 11.625 33.162 ( -1.598 3.252 -1.692) 3.999 33.228 ( -1.439 -2.908 -1.311) 3.500 33.296 ( -1.996 3.995 -8.651) 9.736 33.377 ( -1.637 -3.324 -12.781) 13.307 34.481 ( -3.801 13.650 -10.827) 17.832 34.670 ( -5.177 -5.497 -8.291) 11.214 35.338 ( 10.090 4.491 -0.526) 11.057 35.465 ( 11.809 -7.326 -3.086) 14.235 36.452 ( 1.645 4.503 20.998) 21.538 36.639 ( -0.731 -12.921 16.458) 20.936 37.474 ( -2.131 2.397 10.514) 10.992 37.558 ( -0.809 -4.823 5.939) 7.694======================= Grid point 50 (28/66) =======================q-point: ( 0.14 0.40 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 105Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.042 ( 2.694 17.780 20.274) 27.100 2.173 ( 5.487 21.428 24.599) 33.081 2.270 ( -0.594 -1.790 18.815) 18.909 2.596 ( 1.081 4.949 12.585) 13.566 2.641 ( 4.669 -15.741 9.586) 19.013 2.749 ( 6.372 -2.343 14.330) 15.856 2.876 ( 3.201 2.787 -0.864) 4.331 2.921 ( 5.982 2.374 -0.260) 6.441 3.021 ( 1.619 2.769 0.488) 3.245 3.043 ( -0.031 0.549 2.230) 2.297 3.156 ( 1.637 2.031 0.865) 2.748 3.243 ( 1.560 -4.475 1.221) 4.894 3.393 ( 3.568 4.203 10.403) 11.774 3.430 ( 5.508 2.035 3.970) 7.088 3.567 ( 8.564 0.512 18.205) 20.125 3.594 ( 0.066 -2.464 8.956) 9.289 3.888 ( 2.142 11.456 2.993) 12.033 4.071 ( -4.123 -3.528 -5.987) 8.081 4.168 ( 1.445 5.825 -7.652) 9.725 4.241 ( 2.589 2.925 -3.303) 5.115 4.336 ( 4.069 -2.291 -8.108) 9.356 4.516 ( 5.209 1.009 -0.972) 5.394 4.615 ( 0.931 -3.675 -4.761) 6.085 4.779 ( 2.612 -7.475 -0.882) 7.967 4.927 ( 6.420 17.071 -4.795) 18.858 5.136 ( -2.563 10.528 -11.570) 15.852 5.327 ( 4.751 -9.908 -12.867) 16.920 5.398 ( -2.886 -1.225 1.553) 3.499 5.635 ( 6.829 0.676 -0.238) 6.866 5.709 ( 3.083 -4.463 -6.376) 8.371 5.887 ( 8.217 -4.221 -0.053) 9.238 5.951 ( 2.037 -7.837 -0.947) 8.152 6.395 ( -8.829 4.294 5.274) 11.145 6.457 ( 1.004 -0.298 1.546) 1.867 6.659 ( -1.652 -0.226 -10.938) 11.065 6.784 ( -1.746 -10.063 -4.659) 11.226 7.010 ( 3.320 7.798 1.399) 8.590 7.218 ( -0.712 -10.638 7.840) 13.234 7.324 ( -4.570 -2.405 0.298) 5.173 7.427 ( -1.583 -11.561 -4.182) 12.395 7.821 ( 0.101 2.827 2.144) 3.550 7.856 ( 0.637 -0.949 -3.979) 4.140 8.009 ( 0.910 2.145 1.766) 2.924 8.165 ( 1.303 -11.212 4.308) 12.081 8.736 ( -1.331 8.942 1.993) 9.258 8.905 ( -2.090 -7.924 -2.756) 8.646 8.956 ( 0.864 9.564 -8.844) 13.055 9.158 ( -1.478 -7.196 -7.570) 10.548 9.587 ( 2.592 5.790 -1.860) 6.611 9.682 ( 1.883 3.610 -4.676) 6.200 9.746 ( 4.875 7.598 0.361) 9.035 9.894 ( 5.858 1.370 2.302) 6.442 10.061 ( 0.460 17.257 -2.888) 17.503 10.190 ( 3.391 5.427 -6.979) 9.469 10.388 ( -2.214 -0.051 -12.659) 12.852 10.464 ( 2.703 -3.306 -18.987) 19.461 10.730 ( -14.079 3.267 2.186) 14.618 10.867 ( -5.045 -7.927 4.472) 10.407 11.012 ( -1.727 -1.234 -4.210) 4.715 11.095 ( 1.410 -10.913 -2.855) 11.368 11.435 ( -3.508 0.552 16.066) 16.454 11.486 ( -2.384 -4.119 16.521) 17.193 11.746 ( 1.002 2.357 6.608) 7.087 11.792 ( -2.502 -0.511 0.398) 2.585 11.902 ( -1.756 3.050 -4.233) 5.505 12.080 ( -3.135 -10.355 0.076) 10.819 12.285 ( 2.107 4.411 -7.912) 9.300 12.364 ( 0.854 -0.962 -4.342) 4.528 12.504 ( -0.763 0.778 -7.896) 7.970 12.552 ( -3.709 -2.377 -8.659) 9.715 12.670 ( -2.431 0.015 3.342) 4.132 12.729 ( -1.553 -3.942 5.384) 6.851 13.010 ( -3.563 5.151 8.033) 10.186 13.100 ( -1.934 -2.658 2.251) 3.984 13.723 ( -13.382 10.441 4.260) 17.500 13.855 ( -16.129 -1.913 3.734) 16.666 13.993 ( -7.006 2.779 0.109) 7.538 14.047 ( -6.021 -1.712 0.456) 6.277 14.306 ( -2.351 3.963 0.838) 4.683 14.404 ( -8.134 -4.886 3.625) 10.158 14.591 ( 6.684 12.334 -1.267) 14.085 14.840 ( -0.619 -9.422 -0.357) 9.449 15.346 ( -1.414 4.719 4.587) 6.731 15.435 ( -0.076 -3.632 3.430) 4.996 16.367 ( 5.803 1.831 -10.338) 11.996 16.427 ( 6.101 -2.735 -8.395) 10.732 16.547 ( 8.437 0.787 -3.227) 9.067 16.603 ( 4.259 -3.306 -2.740) 6.048 17.055 ( -1.239 -0.510 5.261) 5.429 17.081 ( -1.773 -3.064 4.767) 5.938 17.518 ( 10.596 3.370 7.285) 13.293 17.573 ( 9.778 -2.225 8.132) 12.911 17.843 ( -3.770 2.274 1.413) 4.624 17.879 ( 0.354 -1.117 -0.178) 1.185 17.987 ( -1.769 0.844 4.035) 4.486 18.027 ( 0.687 -2.903 3.713) 4.763 18.979 ( 5.317 6.122 -1.838) 8.314 19.105 ( 1.614 -5.586 -2.352) 6.272 19.304 ( 5.124 1.500 -9.247) 10.677 19.337 ( 5.088 -1.515 -6.728) 8.570 22.401 ( -4.768 6.731 -0.261) 8.253 22.517 ( -4.361 -2.855 0.499) 5.236 22.647 ( -4.673 1.118 4.349) 6.481 22.727 ( -5.157 -4.652 4.159) 8.095 26.865 ( 6.662 3.850 -2.163) 7.993 26.958 ( 2.772 -4.457 -1.722) 5.524 27.009 ( 11.976 7.020 1.026) 13.920 27.179 ( 10.612 -8.794 2.905) 14.086 30.077 ( 1.061 2.242 -3.014) 3.904 30.115 ( 0.394 -0.316 -2.343) 2.397 30.144 ( 2.955 0.096 -1.688) 3.404 30.169 ( 2.844 -1.366 -1.152) 3.359 31.458 ( -1.296 0.836 2.729) 3.134 31.499 ( 0.741 -2.983 2.258) 3.814 31.734 ( -0.629 1.486 -0.671) 1.747 31.757 ( -0.893 -0.818 -0.405) 1.277 32.322 ( 2.395 11.920 0.548) 12.170 32.408 ( 5.445 11.944 -2.264) 13.320 32.593 ( 0.683 -5.080 -0.413) 5.142 32.744 ( 5.558 -11.039 0.227) 12.361 33.082 ( -3.683 3.806 -3.626) 6.419 33.156 ( -3.689 -2.918 -3.979) 6.161 33.216 ( -2.194 3.549 -4.093) 5.845 33.290 ( -1.571 -3.802 -5.470) 6.844 34.381 ( -2.750 8.829 -3.303) 9.819 34.531 ( -4.700 -5.297 -5.927) 9.235 35.471 ( 5.376 5.109 -4.311) 8.579 35.583 ( 5.118 -5.076 -9.013) 11.541 36.506 ( -6.778 2.620 15.075) 16.736 36.658 ( -7.717 -11.972 17.520) 22.579 37.472 ( -4.187 3.331 10.350) 11.652 37.561 ( -2.824 -4.626 6.628) 8.562======================= Grid point 51 (29/66) =======================q-point: ( 0.29 0.40 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 105Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.116 ( -5.144 9.913 19.588) 22.548 2.280 ( -6.577 -4.669 20.493) 22.023 2.420 ( 2.626 11.940 22.835) 25.902 2.673 ( -0.574 4.813 9.090) 10.302 2.732 ( -4.483 -7.532 14.247) 16.728 2.847 ( -0.525 -3.596 2.014) 4.155 3.002 ( 8.044 2.000 -0.767) 8.324 3.041 ( 3.905 0.401 -2.319) 4.559 3.087 ( 2.361 1.654 4.104) 5.015 3.115 ( 7.077 -2.405 2.201) 7.792 3.173 ( 0.234 1.123 -3.206) 3.405 3.239 ( -2.031 -3.348 -3.703) 5.389 3.471 ( -0.305 6.848 6.057) 9.147 3.557 ( 3.632 2.215 8.739) 9.720 3.593 ( -1.699 -4.496 3.595) 6.002 3.758 ( -5.688 -13.938 16.712) 22.493 4.037 ( 3.172 2.294 -2.756) 4.788 4.063 ( 6.856 0.763 1.402) 7.039 4.170 ( 3.815 3.174 -6.862) 8.468 4.264 ( 2.823 -4.762 -3.626) 6.617 4.387 ( 4.179 8.937 -3.320) 10.409 4.595 ( 1.429 1.864 6.948) 7.334 4.702 ( 9.788 2.964 -8.887) 13.549 4.899 ( 11.192 -3.615 -10.183) 15.557 5.083 ( 12.895 15.614 -2.818) 20.445 5.140 ( 15.174 8.048 -10.994) 20.394 5.318 ( 5.075 -5.635 -15.998) 17.705 5.416 ( 7.354 -1.408 -0.714) 7.522 5.713 ( -0.479 2.502 1.315) 2.867 5.772 ( 3.507 0.593 0.672) 3.619 6.028 ( 7.796 -1.318 -3.613) 8.693 6.062 ( 6.402 0.481 1.152) 6.522 6.312 ( -3.590 5.712 11.197) 13.072 6.462 ( -2.218 -3.377 5.143) 6.540 6.586 ( -0.619 1.590 -6.125) 6.358 6.727 ( 0.950 -11.265 -10.381) 15.348 7.077 ( 0.978 7.405 4.647) 8.797 7.218 ( -4.770 -1.635 -0.624) 5.081 7.302 ( 2.214 -7.812 9.896) 12.801 7.394 ( -0.362 -13.383 2.168) 13.562 7.801 ( -2.189 -0.184 0.399) 2.233 7.811 ( -1.598 -0.958 -6.595) 6.853 8.059 ( 1.992 2.019 0.770) 2.939 8.175 ( -1.963 -7.837 1.511) 8.219 8.677 ( -4.641 8.792 0.223) 9.945 8.818 ( -4.357 -4.709 -3.025) 7.092 8.940 ( 2.457 5.150 -8.753) 10.448 9.110 ( -0.601 -9.425 -6.625) 11.536 9.564 ( -5.474 9.588 -3.434) 11.562 9.616 ( -3.024 7.791 -2.842) 8.827 9.821 ( 1.109 5.448 -1.180) 5.683 9.930 ( -4.203 7.746 -0.696) 8.841 10.111 ( 7.360 4.565 -4.044) 9.558 10.221 ( -0.327 8.025 -15.232) 17.220 10.278 ( 6.514 -1.615 -6.901) 9.626 10.435 ( -5.170 -0.710 -7.593) 9.213 10.492 ( -0.439 3.545 -2.751) 4.509 10.760 ( -8.339 -14.667 3.416) 17.214 10.876 ( -6.103 3.005 -3.421) 7.614 11.043 ( -4.774 -13.040 -3.482) 14.317 11.471 ( -4.391 3.910 13.529) 14.751 11.547 ( -2.557 -1.862 18.115) 18.389 11.699 ( -3.265 5.530 -2.218) 6.794 11.796 ( 1.078 1.874 3.064) 3.750 11.930 ( 4.381 -7.644 -1.615) 8.957 11.994 ( -5.604 -12.263 4.268) 14.142 12.283 ( -3.288 3.714 -7.577) 9.056 12.331 ( 1.347 0.461 -5.242) 5.432 12.429 ( 1.576 -0.149 -6.776) 6.958 12.515 ( 3.068 -4.522 -1.737) 5.734 12.673 ( -0.820 1.616 5.126) 5.437 12.745 ( -0.190 -5.670 5.620) 7.985 12.974 ( -5.121 5.909 9.143) 12.030 13.075 ( -2.613 -2.499 3.245) 4.858 13.460 ( -14.180 3.428 7.694) 16.493 13.534 ( -14.834 -3.090 6.740) 16.584 13.899 ( -3.768 5.869 0.576) 6.999 14.004 ( -0.908 -4.192 0.134) 4.291 14.273 ( -0.274 1.646 -2.206) 2.766 14.320 ( -2.215 -2.286 0.700) 3.259 14.734 ( 9.155 9.689 -7.013) 15.062 14.850 ( 2.366 -0.983 -4.525) 5.200 15.346 ( -1.475 6.922 4.667) 8.478 15.449 ( -1.393 -2.904 2.391) 4.011 16.399 ( 2.717 2.635 -4.408) 5.810 16.470 ( 3.292 -3.093 -8.193) 9.355 16.661 ( 1.897 -1.475 2.628) 3.561 16.682 ( 4.235 -3.423 3.187) 6.310 17.075 ( -0.385 -0.180 2.609) 2.644 17.116 ( 3.528 -3.813 1.466) 5.398 17.638 ( -3.218 2.761 4.269) 6.017 17.682 ( -0.407 -1.023 4.078) 4.224 17.860 ( 5.136 6.795 2.126) 8.778 17.971 ( 1.066 -0.340 5.953) 6.057 18.023 ( 7.607 -3.304 -1.675) 8.461 18.059 ( 1.105 -3.870 2.529) 4.754 19.058 ( 3.838 2.348 -4.012) 6.028 19.117 ( 1.435 -2.899 -4.282) 5.367 19.353 ( 5.766 3.014 -8.723) 10.882 19.399 ( 5.121 -0.995 -6.135) 8.053 22.321 ( -3.638 5.770 1.824) 7.061 22.427 ( -5.156 -3.075 2.316) 6.434 22.576 ( -4.557 0.231 3.467) 5.730 22.635 ( -5.809 -3.897 3.947) 8.032 27.003 ( 7.374 -0.005 -4.359) 8.566 27.025 ( 5.492 -1.896 -3.886) 6.990 27.270 ( 12.733 6.152 1.643) 14.236 27.434 ( 12.018 -9.204 5.060) 15.960 30.085 ( 1.743 1.677 -4.128) 4.785 30.111 ( 0.878 -0.319 -3.374) 3.501 30.196 ( 2.609 0.501 -0.160) 2.661 30.221 ( 2.745 -1.427 -0.406) 3.120 31.446 ( -1.288 3.263 2.128) 4.103 31.532 ( 1.151 -4.633 2.361) 5.326 31.698 ( -2.348 1.955 -1.205) 3.285 31.739 ( -0.740 -2.080 -0.280) 2.225 32.390 ( 4.129 9.527 0.039) 10.384 32.495 ( 3.410 2.336 -4.053) 5.789 32.628 ( 5.055 10.108 -1.187) 11.364 32.859 ( 5.567 -8.088 0.044) 9.819 33.022 ( -1.199 2.057 -0.240) 2.393 33.073 ( -2.588 -2.928 -0.592) 3.953 33.159 ( -2.314 4.073 -0.416) 4.703 33.251 ( -0.651 -4.471 -0.409) 4.537 34.321 ( -2.193 3.141 -0.745) 3.903 34.418 ( -4.101 -4.947 -3.138) 7.151 35.503 ( 1.992 3.810 -8.504) 9.529 35.580 ( 1.677 -3.359 -13.417) 13.932 36.406 ( -10.021 4.635 9.810) 14.769 36.577 ( -9.421 -11.822 14.588) 21.007 37.443 ( -4.529 4.657 8.829) 10.961 37.532 ( -3.621 -3.809 5.931) 7.925======================= Grid point 52 (30/66) =======================q-point: ( 0.43 0.40 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 105Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.161 ( -2.302 0.696 24.626) 24.743 2.247 ( -8.769 -6.073 17.480) 20.478 2.554 ( -2.798 4.996 18.662) 19.521 2.645 ( -9.943 -2.373 13.760) 17.142 2.679 ( -3.505 5.086 0.854) 6.236 2.839 ( -0.615 -4.466 2.693) 5.251 3.060 ( -3.410 0.466 -7.720) 8.452 3.067 ( -0.896 -1.104 -7.034) 7.176 3.099 ( -0.441 1.688 -2.822) 3.318 3.151 ( 2.170 -2.486 -1.869) 3.792 3.193 ( 0.935 0.186 1.555) 1.824 3.222 ( 3.881 -3.088 2.031) 5.359 3.491 ( -1.642 6.401 8.147) 10.490 3.581 ( -1.170 1.229 6.451) 6.671 3.617 ( -8.345 -4.759 3.834) 10.343 3.748 ( 3.789 -11.929 1.601) 12.618 4.032 ( -0.781 4.824 -7.282) 8.769 4.090 ( 0.742 0.141 -0.539) 0.928 4.195 ( 1.099 -0.367 -3.363) 3.557 4.256 ( -3.015 -4.331 -5.773) 7.822 4.402 ( 2.281 6.533 1.227) 7.028 4.573 ( -2.688 -7.671 8.546) 11.794 4.958 ( 8.497 10.356 -15.494) 20.482 5.075 ( 15.789 6.039 -0.924) 16.930 5.265 ( 5.232 6.119 -4.519) 9.232 5.301 ( -1.989 3.700 -2.451) 4.863 5.502 ( 15.029 -1.991 -4.704) 15.873 5.615 ( 6.113 -6.971 -1.113) 9.338 5.745 ( 11.220 13.100 3.614) 17.623 5.852 ( 2.300 1.998 1.996) 3.642 6.070 ( -2.810 7.413 1.642) 8.096 6.155 ( 3.958 -1.209 -5.374) 6.783 6.359 ( 0.589 3.620 10.303) 10.936 6.467 ( -1.104 -4.282 4.775) 6.508 6.565 ( 1.990 5.625 -5.203) 7.917 6.715 ( 5.288 -8.116 -11.355) 14.926 7.038 ( -7.041 8.594 4.129) 11.852 7.185 ( -0.034 -1.218 8.593) 8.679 7.406 ( -2.897 -11.148 2.460) 11.778 7.454 ( 7.043 -8.098 10.327) 14.894 7.726 ( -1.510 1.196 -0.274) 1.945 7.785 ( 0.863 -6.011 -1.831) 6.342 8.049 ( -1.995 2.010 -3.238) 4.302 8.146 ( -1.406 -7.210 -0.929) 7.404 8.600 ( -2.297 8.448 -0.178) 8.756 8.719 ( -2.541 -3.287 -3.900) 5.699 8.942 ( 2.461 1.588 -6.633) 7.251 9.024 ( -3.926 -5.280 -5.957) 8.876 9.409 ( -5.619 10.488 -4.254) 12.636 9.552 ( 0.346 -0.626 -7.468) 7.502 9.773 ( -3.074 5.931 -3.386) 7.489 9.838 ( -1.417 3.703 -6.177) 7.340 10.056 ( -4.801 7.570 -7.212) 11.505 10.242 ( -0.108 -5.729 -7.617) 9.531 10.313 ( 4.725 16.383 0.554) 17.060 10.457 ( 9.847 5.661 -7.580) 13.655 10.562 ( 6.523 2.253 -4.581) 8.283 10.597 ( -5.723 -1.175 -6.217) 8.532 10.817 ( -0.938 -15.125 3.111) 15.470 10.904 ( -6.816 -13.361 -1.964) 15.127 11.457 ( -2.385 3.513 8.644) 9.631 11.561 ( -4.738 -1.288 13.113) 14.002 11.654 ( -0.335 5.480 -2.759) 6.145 11.810 ( -1.494 3.509 2.005) 4.309 11.961 ( -1.520 -6.899 1.224) 7.170 12.004 ( 1.237 -19.636 6.016) 20.574 12.150 ( -0.233 9.536 -6.352) 11.460 12.370 ( 4.730 -8.536 -5.994) 11.453 12.495 ( 5.442 2.587 0.067) 6.026 12.566 ( 1.094 -1.817 1.868) 2.826 12.687 ( -1.084 2.913 7.533) 8.149 12.777 ( -0.513 -6.107 6.270) 8.768 12.936 ( -4.505 2.682 8.885) 10.317 13.019 ( -5.352 -3.665 6.243) 9.003 13.305 ( -5.395 1.909 5.206) 7.736 13.393 ( -4.570 -5.294 6.523) 9.564 13.861 ( -1.046 6.757 2.849) 7.408 13.983 ( -2.288 -4.878 2.541) 5.957 14.287 ( 3.087 1.634 -2.254) 4.157 14.316 ( 1.957 -0.880 -1.761) 2.776 14.807 ( 2.459 7.769 -9.459) 12.485 14.885 ( 5.693 -0.020 -7.847) 9.694 15.327 ( -3.874 5.560 3.473) 7.615 15.393 ( -5.343 -0.262 2.163) 5.770 16.413 ( -0.130 5.129 -3.833) 6.404 16.474 ( 2.165 -0.847 -4.454) 5.025 16.673 ( -1.063 -1.309 -3.051) 3.486 16.746 ( -0.017 -6.159 5.937) 8.554 17.095 ( 0.525 2.626 3.470) 4.383 17.191 ( 2.280 -5.974 3.827) 7.452 17.612 ( -1.067 2.666 3.474) 4.507 17.668 ( -1.485 -2.436 4.414) 5.256 17.917 ( -0.861 5.944 4.377) 7.431 18.042 ( -1.332 -5.361 5.516) 7.806 18.082 ( 5.081 3.345 -2.500) 6.577 18.152 ( 3.819 -2.840 0.356) 4.772 19.064 ( 1.056 0.938 -8.559) 8.675 19.098 ( -0.233 -2.293 -7.091) 7.456 19.426 ( 5.542 3.550 -5.528) 8.596 19.462 ( 4.379 0.391 -4.375) 6.202 22.284 ( -1.910 3.794 3.750) 5.666 22.361 ( -3.332 -2.847 3.868) 5.845 22.521 ( -2.755 0.562 2.550) 3.796 22.574 ( -2.041 -3.648 2.091) 4.674 27.047 ( 1.137 2.060 -5.118) 5.633 27.111 ( 4.168 -4.232 -5.161) 7.869 27.483 ( 6.558 6.345 4.551) 10.197 27.665 ( 7.247 -11.196 7.182) 15.148 30.093 ( 1.748 1.008 -4.757) 5.167 30.105 ( 0.831 0.020 -4.197) 4.278 30.231 ( 0.563 0.942 0.816) 1.368 30.262 ( 1.423 -1.872 -0.026) 2.352 31.435 ( -0.897 5.346 1.471) 5.617 31.563 ( 0.137 -6.899 1.620) 7.088 31.644 ( -1.471 4.115 -1.320) 4.565 31.727 ( -0.306 -3.962 -0.016) 3.974 32.438 ( -0.313 6.812 -2.340) 7.209 32.517 ( 3.639 -0.561 -2.020) 4.200 32.787 ( 10.068 14.463 1.140) 17.659 32.930 ( 0.778 1.221 0.326) 1.484 33.001 ( -1.958 2.481 2.240) 3.874 33.088 ( 2.337 -6.520 1.935) 7.191 33.123 ( -0.678 5.840 3.135) 6.663 33.261 ( 0.944 -6.114 3.040) 6.893 34.305 ( 1.441 -1.875 0.253) 2.378 34.343 ( -2.220 -4.792 -0.479) 5.303 35.448 ( -1.048 1.768 -13.490) 13.645 35.487 ( -1.521 -1.889 -19.073) 19.227 36.267 ( -8.734 8.075 6.986) 13.794 36.488 ( -6.992 -13.051 10.081) 17.912 37.407 ( -3.784 5.454 7.096) 9.717 37.502 ( -2.683 -3.723 5.128) 6.881======================= Grid point 53 (31/66) =======================q-point: (-0.43 0.40 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 105Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.131 ( -10.031 9.680 3.200) 14.303 2.319 ( 1.566 0.885 26.399) 26.460 2.414 ( -16.428 5.040 14.575) 22.532 2.539 ( -10.103 -3.726 3.728) 11.395 2.650 ( -1.763 -2.087 7.466) 7.950 2.856 ( -2.030 -12.320 0.306) 12.490 2.917 ( -2.587 2.064 -5.146) 6.118 2.954 ( -2.387 -1.983 -7.001) 7.658 3.127 ( 1.530 2.169 1.477) 3.037 3.171 ( -0.541 -1.742 1.189) 2.177 3.236 ( 2.610 2.123 -0.325) 3.380 3.274 ( 0.352 -1.307 -0.608) 1.484 3.443 ( -6.415 1.766 -2.147) 6.991 3.500 ( -4.668 -2.824 5.912) 8.045 3.583 ( -3.810 3.262 10.819) 11.925 3.754 ( -3.797 -9.602 2.478) 10.618 3.978 ( -0.553 4.579 -4.765) 6.632 4.063 ( -1.632 -3.671 -7.064) 8.126 4.204 ( 4.657 3.316 0.776) 5.770 4.279 ( 5.461 -3.398 1.023) 6.513 4.442 ( -3.339 6.853 7.878) 10.962 4.638 ( 1.426 -9.588 7.055) 11.989 4.980 ( 3.596 5.456 -13.093) 14.633 5.077 ( -11.516 0.244 -2.366) 11.759 5.167 ( -5.665 5.619 -5.291) 9.574 5.263 ( -6.001 0.280 -3.869) 7.145 5.511 ( -9.718 10.561 -4.536) 15.052 5.633 ( -6.848 -3.138 -4.453) 8.751 5.908 ( 4.936 8.627 -6.248) 11.740 5.929 ( 0.956 7.057 9.861) 12.164 6.065 ( -0.678 1.296 6.690) 6.848 6.213 ( 7.953 -9.001 -8.384) 14.648 6.386 ( -5.635 5.710 3.900) 8.920 6.431 ( -2.563 1.537 10.018) 10.454 6.602 ( 5.701 3.578 -9.863) 11.941 6.789 ( 5.433 -11.221 -5.081) 13.463 6.990 ( -0.573 10.548 10.753) 15.074 7.209 ( -6.160 -8.292 11.961) 15.804 7.344 ( 1.710 11.905 -0.734) 12.049 7.640 ( 4.084 -13.238 6.659) 15.371 7.755 ( 1.142 0.222 3.509) 3.697 7.864 ( 5.840 -11.018 0.991) 12.510 7.978 ( -2.529 0.748 -3.855) 4.671 8.059 ( -5.591 -7.423 -3.634) 9.979 8.597 ( 1.839 8.981 -0.314) 9.173 8.741 ( 7.001 -4.192 -3.448) 8.859 8.919 ( 0.128 2.647 -5.002) 5.661 9.001 ( 6.352 -4.554 -7.646) 10.934 9.342 ( 2.620 11.889 -8.184) 14.669 9.554 ( 3.697 -6.453 -8.796) 11.518 9.725 ( 2.126 5.674 -5.003) 7.857 9.812 ( 1.446 -3.962 -9.525) 10.417 9.944 ( -0.535 18.218 -5.750) 19.111 10.164 ( -3.219 7.202 -3.623) 8.681 10.391 ( -4.243 4.447 -4.621) 7.690 10.459 ( 8.231 3.331 -2.993) 9.370 10.572 ( -1.766 -1.310 -2.633) 3.431 10.699 ( 7.213 -0.726 -3.194) 7.922 10.788 ( 1.950 -13.680 -1.859) 13.943 10.863 ( 2.047 -10.328 -1.200) 10.597 11.465 ( -2.705 0.323 9.503) 9.886 11.560 ( -2.693 -6.505 12.150) 14.043 11.673 ( 2.418 11.190 -0.816) 11.477 11.781 ( -1.394 3.073 -0.536) 3.417 11.869 ( -3.130 -0.214 -3.255) 4.521 12.091 ( 3.252 -13.888 4.939) 15.095 12.223 ( 8.351 7.175 -5.141) 12.151 12.452 ( 7.638 -12.103 -6.299) 15.637 12.531 ( -1.490 1.725 -0.397) 2.314 12.596 ( -0.302 -5.423 1.575) 5.655 12.751 ( 0.408 1.426 8.396) 8.525 12.788 ( -2.604 -3.059 8.665) 9.551 12.872 ( -3.736 7.077 9.320) 12.285 13.019 ( -0.754 -5.475 8.182) 9.874 13.310 ( 1.246 1.130 10.140) 10.279 13.399 ( 1.071 -5.637 6.304) 8.525 13.890 ( 1.683 4.110 4.206) 6.117 13.952 ( -1.888 -1.701 1.773) 3.099 14.349 ( 3.051 1.589 1.623) 3.804 14.371 ( 3.625 -0.781 1.491) 3.997 14.776 ( 2.558 10.080 -11.520) 15.520 14.939 ( 4.156 -5.332 -8.487) 10.851 15.205 ( -8.423 5.119 -0.510) 9.870 15.297 ( -5.910 -2.281 0.777) 6.382 16.348 ( -2.569 6.606 -6.029) 9.305 16.489 ( -0.631 -5.350 -2.294) 5.856 16.603 ( -2.901 5.532 -2.440) 6.706 16.749 ( -3.230 -6.369 4.653) 8.523 17.127 ( 0.361 3.972 4.127) 5.739 17.246 ( 0.647 -6.667 5.001) 8.359 17.640 ( 1.710 2.778 3.298) 4.639 17.696 ( 1.492 -2.328 4.069) 4.920 17.916 ( -1.209 3.373 2.952) 4.643 17.996 ( -4.174 -4.162 1.186) 6.013 18.160 ( 1.937 2.086 0.947) 3.000 18.189 ( -0.887 -0.885 3.584) 3.796 19.014 ( -1.579 -0.135 -8.948) 9.088 19.030 ( -0.474 -1.548 -9.046) 9.189 19.472 ( 1.606 3.416 -4.678) 6.011 19.502 ( 1.930 0.983 -4.388) 4.894 22.289 ( 0.065 2.670 4.120) 4.910 22.354 ( 0.743 -3.393 3.714) 5.086 22.507 ( -0.149 2.169 1.957) 2.925 22.577 ( 0.772 -4.072 2.093) 4.643 26.997 ( -2.965 4.618 -4.691) 7.219 27.112 ( -0.701 -6.409 -4.989) 8.152 27.556 ( -2.687 6.359 6.092) 9.207 27.769 ( -1.964 -14.777 8.210) 17.018 30.088 ( 0.543 0.900 -4.607) 4.726 30.101 ( 1.518 -0.441 -4.684) 4.944 30.226 ( -1.512 1.622 0.861) 2.378 30.269 ( -0.798 -2.126 0.030) 2.271 31.427 ( -0.820 4.590 1.196) 4.813 31.531 ( -2.705 -4.181 -0.333) 4.991 31.659 ( 2.390 1.885 0.391) 3.069 31.729 ( 0.549 -3.596 0.011) 3.638 32.392 ( -2.356 10.275 -1.056) 10.594 32.585 ( 3.102 -7.241 -0.700) 7.908 32.845 ( -8.335 15.112 0.844) 17.279 32.985 ( 5.654 7.521 1.438) 9.519 33.011 ( 0.762 -0.062 1.730) 1.892 33.080 ( 0.676 -2.314 1.853) 3.040 33.238 ( 5.670 1.498 5.260) 7.878 33.330 ( 4.379 -6.757 4.076) 9.024 34.351 ( 3.483 -0.879 3.899) 5.301 34.412 ( 8.635 -5.443 3.616) 10.829 35.276 ( -5.073 2.316 -25.642) 26.242 35.324 ( -3.235 -1.960 -18.246) 18.634 36.170 ( -5.279 10.642 7.127) 13.854 36.434 ( -3.592 -14.507 7.085) 16.540 37.388 ( -2.155 5.915 6.327) 8.925 37.493 ( -1.227 -4.161 4.456) 6.219======================= Grid point 54 (32/66) =======================q-point: (-0.29 0.40 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 105Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.893 ( -13.361 26.664 -1.921) 29.886 2.174 ( -14.743 15.899 8.439) 23.267 2.329 ( -9.344 10.248 3.604) 14.329 2.506 ( -3.267 -9.658 24.168) 26.230 2.620 ( -4.491 -14.333 2.694) 15.259 2.764 ( -4.451 -14.075 5.035) 15.597 2.887 ( -1.063 2.730 0.261) 2.942 2.939 ( -0.297 -2.569 1.730) 3.111 3.148 ( -1.363 1.447 2.765) 3.405 3.166 ( -0.730 -1.081 0.620) 1.444 3.227 ( -5.266 5.520 1.483) 7.772 3.251 ( -1.684 4.912 -0.437) 5.211 3.349 ( -3.852 -0.319 2.019) 4.360 3.403 ( -6.739 -1.928 8.625) 11.114 3.563 ( -5.518 -1.373 7.405) 9.336 3.692 ( -5.971 -8.016 9.042) 13.478 3.907 ( -4.992 13.736 0.610) 14.627 4.069 ( 5.201 -0.332 -2.816) 5.924 4.311 ( 1.954 0.923 -2.900) 3.616 4.339 ( -1.789 6.718 2.809) 7.499 4.408 ( 1.563 -2.959 -0.942) 3.476 4.598 ( -8.730 -14.127 5.440) 17.475 4.768 ( -13.097 1.887 -8.742) 15.859 4.867 ( -13.002 -5.715 -3.989) 14.752 5.010 ( -7.620 13.291 -6.993) 16.841 5.155 ( 4.795 -0.320 -7.040) 8.524 5.299 ( -4.687 4.318 -2.456) 6.830 5.447 ( -5.345 -6.849 -5.072) 10.060 5.834 ( -6.020 9.901 -2.098) 11.776 5.988 ( -9.541 4.351 4.045) 11.239 6.010 ( -0.265 1.086 0.992) 1.494 6.229 ( -3.108 -10.504 -5.746) 12.370 6.384 ( 3.802 4.114 3.949) 6.854 6.444 ( -2.149 2.981 8.349) 9.122 6.663 ( 5.966 0.576 -8.097) 10.074 6.812 ( 0.365 -10.255 -6.832) 12.328 7.096 ( 2.134 10.204 12.537) 16.305 7.221 ( 1.979 -1.720 8.503) 8.898 7.423 ( 3.862 8.614 3.918) 10.221 7.657 ( -1.764 -10.895 -0.704) 11.059 7.709 ( -8.992 -2.692 -2.585) 9.736 7.834 ( -3.752 -9.701 -7.447) 12.792 7.963 ( 1.919 -2.130 4.231) 5.111 8.048 ( 2.370 -9.735 3.168) 10.508 8.640 ( 1.900 11.033 0.061) 11.195 8.864 ( 5.001 -10.096 -1.317) 11.344 8.950 ( 5.775 8.341 -6.129) 11.852 9.125 ( 9.477 -7.860 -5.585) 13.520 9.390 ( 7.516 11.250 -12.655) 18.525 9.564 ( 3.015 -4.082 -7.759) 9.272 9.721 ( -4.152 4.911 -5.881) 8.714 9.767 ( 2.228 1.839 -6.684) 7.282 10.022 ( 9.663 15.713 -6.306) 19.495 10.101 ( 2.576 11.999 -8.771) 15.084 10.363 ( 3.718 -4.172 0.813) 5.647 10.444 ( -7.111 -6.293 -1.135) 9.563 10.629 ( 8.642 7.317 -1.333) 11.402 10.766 ( 3.556 2.421 -4.468) 6.202 10.901 ( 6.018 -9.769 -1.540) 11.577 10.922 ( 7.074 -13.172 -2.820) 15.215 11.475 ( -3.568 0.828 11.554) 12.121 11.547 ( -5.874 -4.484 8.982) 11.631 11.671 ( -1.042 2.564 -1.305) 3.060 11.760 ( -0.030 -5.506 0.721) 5.553 11.917 ( 7.400 10.104 -1.060) 12.569 12.151 ( 1.253 -9.398 -0.408) 9.490 12.376 ( 10.847 12.558 -7.476) 18.200 12.463 ( -3.790 3.005 -0.863) 4.913 12.553 ( -2.589 -2.765 2.531) 4.555 12.603 ( 8.573 -7.050 -10.100) 15.007 12.732 ( -4.320 -0.903 7.902) 9.051 12.768 ( -2.278 -2.564 6.620) 7.456 12.966 ( 1.665 -0.205 10.310) 10.446 13.035 ( -1.611 -3.274 7.469) 8.312 13.474 ( 7.613 0.816 12.548) 14.699 13.510 ( 6.727 -1.202 6.752) 9.606 13.941 ( 1.202 2.438 1.323) 3.023 13.983 ( 4.885 -1.167 3.230) 5.971 14.383 ( -1.612 8.392 6.111) 10.506 14.506 ( 6.608 -4.257 11.292) 13.758 14.815 ( 6.469 4.511 -7.073) 10.594 14.899 ( -6.467 -0.463 -0.731) 6.524 15.083 ( 0.882 0.078 -7.987) 8.035 15.174 ( -4.039 -6.158 -5.113) 8.965 16.261 ( -2.337 5.180 -5.976) 8.247 16.396 ( -4.590 -7.020 -6.335) 10.511 16.559 ( -3.301 5.886 3.000) 7.385 16.673 ( -6.231 -4.434 2.206) 7.959 17.156 ( 0.027 4.688 4.382) 6.417 17.271 ( -1.150 -5.597 5.218) 7.738 17.697 ( 1.159 3.191 1.655) 3.776 17.749 ( 0.949 -1.876 2.017) 2.913 17.903 ( -1.826 0.641 0.728) 2.067 17.922 ( -3.089 -1.471 1.172) 3.617 18.122 ( -7.246 2.170 4.824) 8.972 18.178 ( -4.438 -3.103 6.207) 8.237 18.911 ( -2.346 2.781 -8.995) 9.703 18.989 ( 1.369 -4.223 -8.068) 9.209 19.426 ( -2.658 3.042 -5.836) 7.098 19.467 ( -2.435 -0.408 -6.024) 6.511 22.344 ( 3.829 4.363 2.860) 6.471 22.443 ( 6.401 -4.787 1.551) 8.142 22.529 ( 0.682 3.473 3.029) 4.659 22.616 ( 1.388 -4.522 3.069) 5.639 26.895 ( -4.438 6.382 -3.332) 8.458 27.043 ( -3.164 -7.660 -3.587) 9.030 27.447 ( -11.738 4.655 5.411) 13.738 27.655 ( -15.080 -17.201 6.926) 23.901 30.071 ( 0.620 1.406 -4.266) 4.534 30.103 ( 1.329 -1.471 -4.041) 4.501 30.187 ( -2.663 2.297 0.146) 3.520 30.237 ( -2.204 -2.090 -0.396) 3.063 31.420 ( -0.478 2.792 1.133) 3.050 31.488 ( -1.484 -3.158 0.396) 3.512 31.711 ( 2.245 0.692 0.391) 2.381 31.744 ( 0.904 -1.813 -0.068) 2.027 32.344 ( -2.340 13.472 0.269) 13.676 32.609 ( -1.727 -7.115 -1.366) 7.448 32.652 ( -9.384 12.002 1.809) 15.342 32.924 ( -8.303 -8.350 0.466) 11.785 33.076 ( 4.368 4.923 0.828) 6.634 33.170 ( 3.924 -3.485 1.272) 5.400 33.347 ( 3.299 4.297 0.469) 5.437 33.453 ( 5.542 -5.272 -2.155) 7.947 34.570 ( 14.901 5.443 8.970) 18.224 34.675 ( 12.762 -4.323 11.493) 17.710 34.993 ( -6.309 8.148 -27.922) 29.763 35.146 ( -2.206 -5.955 -20.647) 21.602 36.155 ( -1.378 11.950 10.394) 15.898 36.442 ( 0.106 -15.279 7.539) 17.038 37.400 ( -0.684 5.571 6.778) 8.801 37.506 ( -0.158 -4.484 4.223) 6.162======================= Grid point 55 (33/66) =======================q-point: (-0.14 0.40 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 105Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.694 ( -8.293 28.089 14.190) 32.544 1.960 ( -10.201 19.457 6.955) 23.044 2.194 ( -8.132 8.223 8.438) 14.316 2.501 ( -7.427 -12.788 2.204) 14.952 2.536 ( -5.645 -5.998 22.273) 23.747 2.737 ( -5.734 0.008 10.373) 11.852 2.871 ( -1.595 2.049 1.311) 2.909 2.953 ( 0.756 -3.226 3.851) 5.080 3.057 ( -8.146 4.060 0.572) 9.120 3.109 ( -5.638 -1.564 0.590) 5.880 3.136 ( -8.505 6.560 8.994) 14.009 3.193 ( -0.624 6.828 3.293) 7.607 3.305 ( -5.369 -2.178 3.193) 6.615 3.333 ( -4.373 -4.980 6.707) 9.429 3.465 ( -7.108 4.455 10.188) 13.198 3.630 ( -6.574 -8.242 11.235) 15.407 3.878 ( 2.788 18.146 -0.332) 18.362 4.115 ( -0.333 2.523 -7.925) 8.323 4.289 ( -0.336 6.902 -2.283) 7.278 4.297 ( -0.667 1.716 -1.000) 2.095 4.346 ( -4.962 1.773 -6.594) 8.441 4.531 ( -0.901 -18.647 -1.047) 18.698 4.614 ( 4.798 -3.089 -4.636) 7.352 4.665 ( -3.798 -2.310 -2.520) 5.110 4.864 ( -3.500 14.597 -5.184) 15.881 5.223 ( 2.873 -1.258 -2.250) 3.860 5.266 ( 0.986 -5.472 -4.425) 7.106 5.413 ( 3.287 -6.703 -2.568) 7.895 5.702 ( -6.243 9.736 -1.238) 11.632 5.819 ( -7.018 0.469 -0.011) 7.033 5.947 ( -6.483 -5.146 1.356) 8.387 6.053 ( -10.225 -13.816 -2.099) 17.316 6.433 ( -1.330 7.298 0.394) 7.428 6.511 ( 4.580 -0.127 3.497) 5.764 6.725 ( 4.935 -1.524 -6.660) 8.428 6.777 ( 1.495 -6.001 -7.901) 10.034 7.136 ( -4.790 12.400 4.333) 13.981 7.282 ( -0.375 -4.165 0.185) 4.185 7.505 ( -5.328 -5.412 -5.500) 9.377 7.527 ( 1.645 2.244 2.122) 3.499 7.646 ( 1.405 -3.991 2.431) 4.879 7.749 ( -0.621 -12.535 0.568) 12.564 8.024 ( 0.367 -3.467 3.850) 5.194 8.089 ( 0.558 -7.875 2.255) 8.211 8.667 ( 0.719 12.073 1.821) 12.231 8.908 ( 1.762 -8.247 -2.046) 8.677 9.018 ( 2.899 8.189 -5.156) 10.102 9.268 ( 7.392 -11.419 -4.081) 14.202 9.462 ( 7.453 5.036 -10.357) 13.718 9.563 ( -0.368 -5.586 -8.452) 10.138 9.633 ( 0.235 13.137 -2.989) 13.475 9.740 ( 0.629 2.916 -3.812) 4.841 10.062 ( 1.887 20.543 -3.648) 20.950 10.270 ( 9.200 8.828 -7.961) 15.032 10.311 ( -0.951 -1.045 -4.898) 5.098 10.472 ( 7.039 -7.411 -7.456) 12.652 10.779 ( 7.918 6.301 -3.604) 10.742 10.824 ( 3.996 2.960 1.522) 5.200 10.975 ( 2.727 -5.871 -0.381) 6.485 11.056 ( 5.850 -14.200 -2.957) 15.640 11.438 ( -5.489 -2.384 9.803) 11.486 11.471 ( -5.478 -3.627 6.100) 8.965 11.669 ( 0.056 1.848 3.182) 3.680 11.775 ( -1.166 -7.204 6.584) 9.829 12.033 ( 3.921 6.403 -2.646) 7.961 12.142 ( 0.246 -3.260 -6.137) 6.954 12.394 ( -2.592 3.538 -1.199) 4.547 12.473 ( -2.653 0.210 -1.566) 3.088 12.516 ( 3.605 11.752 -4.261) 13.010 12.651 ( 1.427 2.447 -4.544) 5.354 12.752 ( 1.308 -8.044 0.466) 8.163 12.762 ( -2.584 -4.654 6.536) 8.430 13.002 ( -0.657 1.787 4.559) 4.941 13.084 ( 0.885 -5.232 7.211) 8.953 13.649 ( 8.341 9.558 0.078) 12.686 13.771 ( 12.937 -3.257 1.700) 13.449 14.012 ( 5.101 4.652 0.650) 6.934 14.115 ( 5.567 -4.492 3.709) 8.058 14.402 ( -0.507 13.411 8.731) 16.011 14.659 ( -6.461 -3.604 3.577) 8.217 14.754 ( -3.328 -2.682 16.458) 17.004 14.857 ( -4.569 -7.996 6.524) 11.286 15.165 ( 11.552 0.926 -3.160) 12.013 15.200 ( 11.924 -3.313 -7.424) 14.431 16.209 ( 2.219 1.394 -9.116) 9.485 16.288 ( -1.363 -5.637 -6.346) 8.597 16.491 ( -3.599 2.995 -0.157) 4.685 16.570 ( -5.012 -4.652 1.901) 7.098 17.180 ( -0.571 4.743 5.136) 7.014 17.272 ( -1.698 -3.617 5.785) 7.031 17.581 ( -15.912 2.151 -1.333) 16.112 17.622 ( -17.325 -1.784 -0.304) 17.419 17.902 ( 1.131 0.812 3.151) 3.445 17.916 ( 1.657 -0.481 2.836) 3.320 17.988 ( -6.539 3.849 3.713) 8.447 18.087 ( -7.508 -5.140 6.774) 11.344 18.854 ( 1.899 7.050 -6.780) 9.964 19.005 ( 4.712 -6.790 -6.000) 10.213 19.332 ( -2.541 1.297 -6.577) 7.169 19.358 ( -3.529 -1.114 -6.609) 7.574 22.469 ( 7.142 6.006 0.218) 9.334 22.526 ( 0.245 2.643 -0.384) 2.683 22.621 ( 6.682 -3.246 3.975) 8.425 22.658 ( 0.938 -4.715 3.752) 6.099 26.812 ( -2.009 7.250 -1.305) 7.636 26.974 ( -1.904 -7.944 -1.373) 8.284 27.202 ( -14.626 -0.443 3.460) 15.037 27.279 ( -24.554 -9.872 4.142) 26.786 30.067 ( 1.381 1.725 -3.320) 3.988 30.107 ( 1.397 -1.982 -3.000) 3.857 30.134 ( -2.214 2.777 -1.057) 3.705 30.187 ( -2.243 -2.013 -1.235) 3.257 31.429 ( 0.585 1.643 1.690) 2.428 31.477 ( -0.443 -3.049 1.412) 3.389 31.738 ( 0.402 0.908 0.093) 0.997 31.763 ( 0.938 -1.283 -0.225) 1.605 32.308 ( -1.566 14.480 0.608) 14.577 32.445 ( -7.329 14.348 -1.470) 16.178 32.614 ( -1.323 -11.585 1.789) 11.796 32.751 ( -7.993 -11.552 -0.200) 14.049 33.153 ( 2.634 3.451 0.271) 4.350 33.228 ( 1.566 -3.716 0.227) 4.039 33.364 ( 0.072 4.799 -5.726) 7.471 33.470 ( 0.727 -4.686 -11.794) 12.712 34.668 ( -4.957 13.940 -21.351) 25.976 34.806 ( -3.067 -1.973 -2.900) 4.659 35.078 ( 16.783 0.013 5.882) 17.784 35.154 ( 16.165 -5.582 -2.945) 17.353 36.257 ( 3.480 11.014 18.261) 21.608 36.527 ( 2.483 -14.574 11.541) 18.756 37.437 ( -0.342 4.131 8.501) 9.458 37.532 ( 0.035 -4.561 4.710) 6.557======================= Grid point 70 (34/66) =======================q-point: ( 0.00 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 66Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.493 ( 13.613 0.000 31.255) 34.091 1.633 ( 0.380 0.000 33.906) 33.908 2.297 ( 9.060 0.000 16.831) 19.115 2.507 ( 2.363 0.000 -0.831) 2.505 2.552 ( -3.122 0.000 -1.504) 3.465 2.780 ( -1.992 0.000 24.158) 24.240 2.978 ( -5.067 0.000 5.321) 7.347 2.991 ( 4.424 0.000 12.562) 13.319 3.081 ( -1.926 0.000 -0.102) 1.928 3.115 ( -3.287 0.000 2.815) 4.327 3.230 ( 1.766 0.000 -0.662) 1.886 3.266 ( -1.354 0.000 10.056) 10.147 3.317 ( -1.153 0.000 7.536) 7.624 3.400 ( 2.658 0.000 1.623) 3.114 3.512 ( -0.612 0.000 9.570) 9.590 3.549 ( -0.649 0.000 1.698) 1.818 3.723 ( -6.870 0.000 3.466) 7.695 3.787 ( -0.201 0.000 2.727) 2.735 3.966 ( 0.028 0.000 -2.152) 2.152 4.101 ( 1.616 0.000 -19.797) 19.863 4.251 ( -4.297 0.000 -7.847) 8.946 4.318 ( -1.074 0.000 -7.765) 7.839 4.474 ( 1.913 0.000 -4.622) 5.002 4.596 ( 1.768 0.000 3.292) 3.736 4.609 ( -8.448 0.000 -11.017) 13.883 5.240 ( -0.620 0.000 -5.728) 5.762 5.604 ( 6.762 0.000 5.155) 8.503 5.670 ( -8.766 0.000 -9.683) 13.062 5.834 ( -5.473 0.000 -3.421) 6.454 5.995 ( -9.279 0.000 2.955) 9.738 6.062 ( 2.389 0.000 13.405) 13.617 6.118 ( -1.433 0.000 9.076) 9.189 6.331 ( 6.581 0.000 6.416) 9.191 6.409 ( -4.461 0.000 -10.298) 11.223 6.775 ( 4.111 0.000 6.781) 7.930 6.924 ( 1.091 0.000 -6.236) 6.330 6.944 ( -4.062 0.000 8.495) 9.417 7.487 ( 17.363 0.000 6.928) 18.694 7.680 ( 2.703 0.000 -9.664) 10.035 7.684 ( -3.130 0.000 -9.913) 10.396 7.996 ( 0.557 0.000 -1.242) 1.361 8.046 ( 3.827 0.000 0.982) 3.951 8.165 ( -12.440 0.000 -8.178) 14.887 8.249 ( 0.914 0.000 -3.041) 3.175 8.436 ( -0.140 0.000 -3.529) 3.532 8.509 ( 1.387 0.000 -1.968) 2.407 8.907 ( -4.521 0.000 -7.081) 8.401 8.921 ( 6.072 0.000 -4.488) 7.551 9.226 ( 6.571 0.000 -7.449) 9.933 9.238 ( -5.944 0.000 -6.063) 8.491 9.563 ( 2.040 0.000 2.483) 3.213 9.644 ( 7.129 0.000 0.700) 7.164 9.647 ( 2.773 0.000 1.644) 3.224 9.862 ( -1.668 0.000 -6.988) 7.185 10.049 ( -2.707 0.000 -6.799) 7.318 10.310 ( 2.729 0.000 -8.945) 9.352 10.826 ( 6.010 0.000 2.508) 6.513 10.888 ( 2.448 0.000 2.064) 3.202 11.226 ( -1.170 0.000 1.568) 1.957 11.449 ( 0.970 0.000 -8.492) 8.547 11.641 ( 9.598 0.000 -3.083) 10.081 11.686 ( 0.723 0.000 3.187) 3.268 11.849 ( 0.239 0.000 5.385) 5.391 11.914 ( -7.356 0.000 3.823) 8.291 11.989 ( 2.461 0.000 14.643) 14.849 12.086 ( -5.678 0.000 5.672) 8.026 12.220 ( 2.995 0.000 -4.296) 5.236 12.288 ( 3.264 0.000 5.333) 6.253 12.489 ( -0.095 0.000 3.878) 3.879 12.588 ( -4.473 0.000 2.823) 5.290 12.879 ( 5.798 0.000 0.180) 5.801 12.915 ( -3.373 0.000 -4.040) 5.263 13.066 ( -0.407 0.000 -0.886) 0.975 13.185 ( -1.944 0.000 3.204) 3.748 13.325 ( -2.654 0.000 0.749) 2.758 13.502 ( -0.349 0.000 -27.322) 27.324 13.975 ( -0.721 0.000 3.219) 3.299 14.225 ( -2.913 0.000 -6.526) 7.147 14.536 ( -11.714 0.000 6.807) 13.548 14.626 ( -7.395 0.000 -1.273) 7.503 14.821 ( -14.132 0.000 3.357) 14.526 14.955 ( -4.808 0.000 5.442) 7.262 15.178 ( 11.722 0.000 -11.530) 16.442 15.288 ( 7.556 0.000 -2.818) 8.064 16.048 ( 4.155 0.000 -7.021) 8.159 16.256 ( 3.089 0.000 -8.707) 9.238 16.437 ( 8.203 0.000 0.539) 8.221 16.499 ( -17.641 0.000 -2.058) 17.760 17.250 ( 1.950 0.000 4.852) 5.229 17.376 ( -6.920 0.000 -0.433) 6.934 17.498 ( -4.781 0.000 9.564) 10.692 17.786 ( 8.288 0.000 -0.494) 8.302 17.939 ( -3.485 0.000 7.685) 8.438 17.988 ( 1.604 0.000 11.856) 11.964 18.175 ( 2.123 0.000 7.671) 7.959 18.270 ( -14.380 0.000 10.148) 17.601 18.613 ( 8.212 0.000 -2.357) 8.543 19.008 ( 5.045 0.000 -10.540) 11.685 19.205 ( -0.799 0.000 -3.755) 3.839 19.224 ( 3.896 0.000 -5.186) 6.486 22.344 ( -5.644 0.000 5.974) 8.219 22.481 ( 5.020 0.000 0.084) 5.020 22.871 ( -1.887 0.000 3.021) 3.562 22.898 ( 1.809 0.000 1.825) 2.570 26.711 ( 7.451 0.000 3.168) 8.097 26.847 ( -22.963 0.000 -2.707) 23.122 27.151 ( -8.516 0.000 2.001) 8.748 27.229 ( 8.206 0.000 -1.077) 8.277 29.991 ( -0.645 0.000 -1.862) 1.971 30.007 ( 3.295 0.000 -2.494) 4.133 30.094 ( -0.983 0.000 -0.990) 1.395 30.118 ( 1.583 0.000 -1.996) 2.548 31.547 ( 4.211 0.000 2.523) 4.909 31.622 ( -5.113 0.000 0.151) 5.115 31.743 ( 1.090 0.000 0.787) 1.345 31.762 ( 1.549 0.000 -0.238) 1.567 31.900 ( -2.938 0.000 2.052) 3.583 31.907 ( 1.480 0.000 1.732) 2.278 32.848 ( -3.399 0.000 0.208) 3.406 32.859 ( 1.222 0.000 -0.671) 1.394 33.029 ( 0.181 0.000 2.451) 2.458 33.088 ( -1.241 0.000 -0.546) 1.355 33.227 ( -0.981 0.000 -0.749) 1.234 33.329 ( -0.334 0.000 -4.451) 4.464 34.116 ( 6.814 0.000 10.781) 12.754 34.591 ( -5.784 0.000 -9.558) 11.172 35.253 ( 4.917 0.000 -0.381) 4.932 35.416 ( 3.774 0.000 -8.907) 9.673 36.776 ( -3.528 0.000 9.153) 9.810 36.993 ( 5.709 0.000 -1.434) 5.886 37.768 ( -1.119 0.000 6.826) 6.917 38.063 ( 1.171 0.000 -6.019) 6.132======================= Grid point 71 (35/66) =======================q-point: ( 0.14 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 66Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.008 ( 17.172 0.000 25.501) 30.743 2.090 ( 25.919 0.000 22.321) 34.206 2.454 ( 7.994 0.000 -5.425) 9.661 2.591 ( 8.279 0.000 -12.232) 14.771 2.637 ( 2.751 0.000 10.175) 10.540 2.864 ( 2.037 0.000 14.449) 14.591 2.989 ( -0.838 0.000 10.617) 10.650 3.037 ( -2.462 0.000 2.778) 3.712 3.081 ( -0.117 0.000 -0.220) 0.250 3.161 ( 2.932 0.000 8.900) 9.371 3.319 ( 5.473 0.000 4.390) 7.016 3.321 ( -0.778 0.000 7.829) 7.868 3.346 ( -2.518 0.000 13.045) 13.286 3.592 ( 11.135 0.000 -7.465) 13.406 3.643 ( 7.562 0.000 6.947) 10.269 3.709 ( 12.981 0.000 10.265) 16.549 3.775 ( 8.861 0.000 5.322) 10.337 3.920 ( -3.376 0.000 -16.333) 16.679 3.936 ( 15.262 0.000 8.368) 17.406 3.981 ( 2.669 0.000 -2.892) 3.935 4.115 ( -9.888 0.000 -19.131) 21.535 4.142 ( -2.523 0.000 -8.373) 8.745 4.463 ( -1.114 0.000 -3.487) 3.661 4.529 ( 11.083 0.000 -5.245) 12.262 4.748 ( 9.718 0.000 7.089) 12.029 5.187 ( -3.927 0.000 4.878) 6.262 5.449 ( -5.916 0.000 -14.196) 15.379 5.571 ( -20.389 0.000 2.462) 20.537 5.769 ( 5.097 0.000 6.417) 8.195 5.849 ( -6.484 0.000 0.566) 6.509 6.045 ( -7.470 0.000 1.261) 7.576 6.211 ( 1.367 0.000 19.160) 19.209 6.313 ( -2.748 0.000 -2.714) 3.862 6.508 ( 6.548 0.000 -0.069) 6.548 6.722 ( -4.104 0.000 -2.217) 4.665 6.870 ( -1.817 0.000 -8.956) 9.139 7.072 ( 3.555 0.000 20.576) 20.881 7.491 ( -7.882 0.000 -14.991) 16.937 7.688 ( 3.415 0.000 -11.136) 11.648 7.800 ( -17.439 0.000 -4.239) 17.947 7.808 ( 11.356 0.000 4.919) 12.376 8.022 ( 0.916 0.000 -1.455) 1.719 8.057 ( -4.979 0.000 4.142) 6.477 8.228 ( 1.192 0.000 -3.959) 4.135 8.408 ( 0.861 0.000 -7.597) 7.645 8.524 ( -0.414 0.000 -0.127) 0.433 8.792 ( -0.650 0.000 -11.096) 11.115 9.010 ( 6.572 0.000 -7.603) 10.050 9.188 ( 2.871 0.000 -4.438) 5.286 9.297 ( 4.337 0.000 -0.654) 4.386 9.648 ( 3.271 0.000 3.422) 4.734 9.715 ( -3.718 0.000 -3.733) 5.269 9.735 ( 3.538 0.000 1.376) 3.796 9.809 ( 6.908 0.000 -14.604) 16.155 10.026 ( 2.309 0.000 1.178) 2.593 10.287 ( -1.265 0.000 -5.838) 5.973 10.732 ( -12.301 0.000 -0.378) 12.307 10.786 ( -9.231 0.000 -4.412) 10.232 11.285 ( 0.585 0.000 2.203) 2.279 11.409 ( -1.691 0.000 -5.976) 6.211 11.667 ( -3.784 0.000 0.908) 3.891 11.756 ( -7.134 0.000 2.759) 7.649 11.857 ( 14.939 0.000 -10.918) 18.504 11.891 ( 0.970 0.000 7.280) 7.345 12.032 ( -6.429 0.000 2.598) 6.934 12.051 ( 1.158 0.000 6.928) 7.025 12.375 ( 10.990 0.000 17.719) 20.850 12.405 ( -2.962 0.000 -2.547) 3.907 12.464 ( -3.954 0.000 -0.502) 3.985 12.503 ( -0.766 0.000 6.317) 6.363 12.841 ( -1.466 0.000 -1.723) 2.262 12.940 ( -2.976 0.000 -6.659) 7.294 13.064 ( 0.586 0.000 -1.807) 1.899 13.195 ( 2.705 0.000 8.733) 9.143 13.325 ( 1.824 0.000 -18.506) 18.596 13.351 ( 2.774 0.000 4.213) 5.044 13.988 ( 1.073 0.000 2.643) 2.852 14.027 ( -11.581 0.000 1.600) 11.691 14.358 ( -9.340 0.000 5.456) 10.817 14.412 ( -11.164 0.000 10.462) 15.300 14.640 ( -8.110 0.000 0.400) 8.120 14.817 ( -10.545 0.000 -0.599) 10.562 15.319 ( 7.447 0.000 -8.159) 11.046 15.342 ( -0.158 0.000 5.677) 5.679 16.223 ( 15.682 0.000 -11.954) 19.718 16.339 ( 8.169 0.000 -6.255) 10.288 16.360 ( -1.374 0.000 -4.569) 4.771 16.644 ( 11.372 0.000 4.439) 12.208 17.307 ( 0.471 0.000 -1.606) 1.674 17.340 ( 2.977 0.000 7.596) 8.158 17.458 ( -4.480 0.000 8.590) 9.688 17.781 ( -3.638 0.000 -1.781) 4.051 17.903 ( -4.492 0.000 6.662) 8.035 18.093 ( -6.911 0.000 4.773) 8.399 18.135 ( 2.930 0.000 9.884) 10.309 18.252 ( 1.347 0.000 7.180) 7.305 18.791 ( 10.840 0.000 -1.905) 11.006 19.039 ( 2.966 0.000 -12.553) 12.899 19.149 ( -0.928 0.000 -3.986) 4.092 19.244 ( 1.382 0.000 -5.577) 5.745 22.275 ( -4.004 0.000 4.318) 5.889 22.528 ( -1.027 0.000 1.769) 2.046 22.820 ( -4.534 0.000 2.258) 5.065 22.886 ( -3.831 0.000 1.741) 4.208 26.701 ( 5.265 0.000 -2.985) 6.052 26.960 ( 12.407 0.000 7.448) 14.470 27.059 ( -0.575 0.000 2.068) 2.146 27.462 ( 15.376 0.000 0.663) 15.390 29.974 ( 0.390 0.000 -2.824) 2.851 30.031 ( 0.332 0.000 -2.039) 2.065 30.117 ( 4.010 0.000 -1.731) 4.368 30.149 ( 2.607 0.000 -1.587) 3.052 31.510 ( -6.098 0.000 -0.377) 6.110 31.617 ( 0.924 0.000 2.844) 2.990 31.797 ( 1.785 0.000 -0.092) 1.788 31.818 ( 5.326 0.000 -1.405) 5.508 31.877 ( 2.219 0.000 1.770) 2.838 31.947 ( 0.595 0.000 2.172) 2.252 32.773 ( -5.383 0.000 0.777) 5.439 32.853 ( -1.528 0.000 -0.085) 1.530 33.041 ( -0.543 0.000 2.262) 2.326 33.059 ( -1.072 0.000 0.511) 1.188 33.228 ( 0.939 0.000 1.387) 1.675 33.303 ( 0.512 0.000 -3.264) 3.304 34.322 ( 7.161 0.000 9.227) 11.679 34.431 ( -4.258 0.000 -9.915) 10.791 35.316 ( 2.383 0.000 -2.217) 3.255 35.391 ( 0.218 0.000 -12.296) 12.298 36.668 ( -11.149 0.000 6.034) 12.677 37.051 ( 1.068 0.000 -2.668) 2.874 37.758 ( -3.870 0.000 6.273) 7.371 37.887 ( -13.914 0.000 0.957) 13.947======================= Grid point 72 (36/66) =======================q-point: ( 0.29 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 66Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.429 ( 4.070 0.000 6.876) 7.990 2.508 ( 6.432 0.000 -0.455) 6.448 2.533 ( 3.173 0.000 0.703) 3.250 2.649 ( 6.441 0.000 -3.787) 7.471 2.766 ( 5.272 0.000 4.204) 6.743 2.944 ( -5.737 0.000 -13.210) 14.402 2.992 ( 2.317 0.000 5.285) 5.770 3.020 ( -0.895 0.000 7.590) 7.642 3.124 ( 4.124 0.000 -2.989) 5.093 3.171 ( -4.541 0.000 -2.180) 5.038 3.364 ( -2.385 0.000 16.326) 16.499 3.426 ( 16.984 0.000 4.853) 17.664 3.503 ( 7.306 0.000 7.765) 10.662 3.726 ( 6.488 0.000 -0.741) 6.530 3.792 ( -1.059 0.000 -5.878) 5.972 3.856 ( 0.756 0.000 1.044) 1.289 3.883 ( -0.239 0.000 13.290) 13.292 3.988 ( 4.216 0.000 2.074) 4.698 4.001 ( 3.323 0.000 -0.199) 3.329 4.027 ( 8.146 0.000 0.570) 8.166 4.064 ( 11.598 0.000 -1.240) 11.664 4.482 ( 13.738 0.000 -0.722) 13.757 4.549 ( 18.435 0.000 14.269) 23.312 4.888 ( 18.931 0.000 -3.017) 19.170 5.039 ( 12.876 0.000 3.139) 13.253 5.182 ( -13.173 0.000 14.236) 19.396 5.184 ( -0.959 0.000 14.936) 14.967 5.289 ( 1.486 0.000 -22.993) 23.041 5.713 ( -5.097 0.000 -8.026) 9.508 5.792 ( -4.577 0.000 -2.603) 5.266 5.888 ( -13.343 0.000 10.531) 16.998 6.277 ( 2.374 0.000 -3.246) 4.022 6.319 ( -3.315 0.000 22.269) 22.514 6.455 ( -6.476 0.000 -10.128) 12.022 6.707 ( -0.845 0.000 3.793) 3.886 6.778 ( -0.557 0.000 -11.434) 11.447 7.240 ( -0.685 0.000 6.218) 6.256 7.259 ( -5.247 0.000 -15.500) 16.364 7.395 ( -13.487 0.000 1.496) 13.570 7.813 ( 8.002 0.000 2.683) 8.440 7.951 ( -6.442 0.000 3.891) 7.526 7.959 ( 2.280 0.000 -3.411) 4.103 8.003 ( 1.528 0.000 -5.094) 5.318 8.277 ( 3.950 0.000 -1.886) 4.377 8.391 ( 3.473 0.000 -12.331) 12.810 8.488 ( -2.856 0.000 5.046) 5.798 8.760 ( 2.864 0.000 -11.762) 12.106 9.069 ( 3.681 0.000 -10.315) 10.952 9.219 ( 1.870 0.000 -2.852) 3.410 9.379 ( 2.530 0.000 1.589) 2.988 9.558 ( -8.525 0.000 -2.676) 8.935 9.624 ( -8.173 0.000 3.066) 8.730 9.821 ( 4.715 0.000 1.405) 4.920 9.872 ( 8.974 0.000 -16.171) 18.494 10.097 ( 1.508 0.000 1.882) 2.411 10.191 ( -5.674 0.000 -0.625) 5.709 10.469 ( -11.699 0.000 -3.166) 12.120 10.641 ( 0.397 0.000 -4.172) 4.191 11.209 ( -6.783 0.000 -0.664) 6.816 11.255 ( -11.990 0.000 -5.144) 13.047 11.577 ( -3.904 0.000 -0.534) 3.940 11.740 ( 0.970 0.000 2.924) 3.081 11.885 ( -4.313 0.000 -3.455) 5.526 11.944 ( -2.415 0.000 -3.443) 4.206 11.991 ( 1.395 0.000 9.988) 10.085 12.159 ( 3.062 0.000 -7.461) 8.065 12.321 ( 12.481 0.000 -6.345) 14.002 12.338 ( -7.604 0.000 1.017) 7.672 12.581 ( 0.058 0.000 4.904) 4.904 12.737 ( 11.176 0.000 20.115) 23.011 12.788 ( -6.781 0.000 0.283) 6.787 12.837 ( 0.701 0.000 1.518) 1.672 13.040 ( -2.651 0.000 1.053) 2.853 13.355 ( 7.694 0.000 -1.668) 7.873 13.426 ( 12.114 0.000 2.845) 12.443 13.439 ( 0.722 0.000 10.890) 10.914 13.870 ( -7.400 0.000 6.759) 10.022 14.065 ( 5.118 0.000 1.500) 5.333 14.279 ( 0.862 0.000 -2.524) 2.667 14.293 ( -7.801 0.000 7.087) 10.539 14.479 ( -9.225 0.000 2.541) 9.568 14.580 ( -10.235 0.000 -5.306) 11.529 15.348 ( -0.004 0.000 -6.018) 6.018 15.379 ( -0.160 0.000 8.166) 8.168 16.278 ( -3.841 0.000 -7.200) 8.161 16.416 ( 10.208 0.000 -9.150) 13.708 16.418 ( 2.888 0.000 -7.231) 7.786 16.897 ( 8.637 0.000 10.525) 13.616 17.354 ( 5.519 0.000 -5.171) 7.563 17.360 ( -5.614 0.000 7.280) 9.194 17.501 ( 3.412 0.000 7.535) 8.271 17.740 ( 0.400 0.000 1.371) 1.428 17.856 ( -3.895 0.000 5.933) 7.097 17.994 ( -5.074 0.000 3.525) 6.178 18.240 ( 3.203 0.000 3.349) 4.634 18.312 ( 0.414 0.000 6.467) 6.481 18.918 ( -4.288 0.000 -14.483) 15.105 18.989 ( 10.664 0.000 -3.348) 11.177 19.176 ( 4.307 0.000 -4.664) 6.349 19.210 ( -1.263 0.000 -6.900) 7.015 22.255 ( -0.596 0.000 3.923) 3.968 22.484 ( -4.184 0.000 2.859) 5.067 22.745 ( -3.661 0.000 1.381) 3.912 22.795 ( -6.257 0.000 2.856) 6.878 26.859 ( 12.049 0.000 -8.852) 14.951 26.998 ( -1.547 0.000 -0.972) 1.827 27.357 ( 14.185 0.000 16.342) 21.640 27.806 ( 18.602 0.000 1.235) 18.643 29.975 ( 1.612 0.000 -3.493) 3.847 30.017 ( -0.394 0.000 -1.953) 1.993 30.194 ( 2.542 0.000 -0.870) 2.686 30.197 ( 4.943 0.000 -2.319) 5.460 31.396 ( -4.849 0.000 -0.270) 4.856 31.599 ( -4.080 0.000 1.767) 4.446 31.807 ( 1.433 0.000 -1.079) 1.794 31.929 ( 2.290 0.000 -0.777) 2.418 31.970 ( 5.160 0.000 0.541) 5.188 32.024 ( 9.180 0.000 2.309) 9.466 32.649 ( -7.106 0.000 0.599) 7.131 32.795 ( -5.167 0.000 1.594) 5.407 33.042 ( -0.178 0.000 1.718) 1.727 33.057 ( 0.186 0.000 1.674) 1.685 33.265 ( 1.213 0.000 2.021) 2.357 33.324 ( 2.890 0.000 -0.967) 3.047 34.340 ( 1.091 0.000 -7.497) 7.576 34.485 ( 4.493 0.000 8.032) 9.203 35.270 ( -4.495 0.000 -16.029) 16.648 35.318 ( -0.075 0.000 -4.663) 4.663 36.456 ( -13.509 0.000 6.544) 15.010 36.998 ( -3.476 0.000 -6.670) 7.521 37.644 ( -12.812 0.000 8.801) 15.543 37.707 ( -4.093 0.000 4.261) 5.908======================= Grid point 73 (37/66) =======================q-point: (-0.57 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 66Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.153 ( -21.600 0.000 -29.854) 36.848 2.220 ( -13.278 0.000 -17.416) 21.900 2.628 ( -0.726 0.000 -1.251) 1.446 2.800 ( 6.160 0.000 -1.383) 6.313 2.841 ( -0.414 0.000 -2.427) 2.462 2.890 ( 4.449 0.000 7.070) 8.354 3.037 ( -0.942 0.000 6.234) 6.305 3.064 ( 2.157 0.000 1.666) 2.726 3.119 ( -1.544 0.000 1.680) 2.282 3.144 ( -0.667 0.000 -0.438) 0.798 3.442 ( -0.705 0.000 17.801) 17.815 3.523 ( -4.416 0.000 4.097) 6.024 3.722 ( -1.148 0.000 1.538) 1.919 3.867 ( -1.991 0.000 16.999) 17.115 3.872 ( 1.037 0.000 8.504) 8.567 3.908 ( 15.309 0.000 -4.504) 15.958 3.924 ( -1.322 0.000 5.948) 6.093 4.017 ( -1.519 0.000 6.805) 6.973 4.166 ( 20.898 0.000 3.002) 21.113 4.213 ( 4.240 0.000 8.875) 9.836 4.408 ( 11.506 0.000 2.850) 11.854 4.651 ( 9.066 0.000 -0.230) 9.069 4.660 ( -19.612 0.000 9.334) 21.720 4.855 ( -0.980 0.000 19.580) 19.604 5.208 ( 4.125 0.000 -10.891) 11.646 5.345 ( -1.619 0.000 -3.506) 3.862 5.388 ( 16.239 0.000 0.046) 16.239 5.447 ( 16.767 0.000 -5.300) 17.585 5.576 ( -18.258 0.000 6.740) 19.462 5.701 ( 8.018 0.000 -1.188) 8.105 5.709 ( -2.063 0.000 -4.473) 4.926 6.268 ( 0.042 0.000 -7.181) 7.182 6.346 ( 5.099 0.000 -1.827) 5.417 6.351 ( -5.931 0.000 11.395) 12.846 6.673 ( -3.105 0.000 2.281) 3.852 6.739 ( 3.788 0.000 -10.650) 11.303 6.933 ( -18.892 0.000 -0.807) 18.909 7.139 ( 0.480 0.000 -10.414) 10.425 7.423 ( 1.070 0.000 5.975) 6.070 7.864 ( -3.382 0.000 6.167) 7.034 7.937 ( 0.493 0.000 -5.836) 5.857 7.976 ( 0.156 0.000 -13.057) 13.058 8.080 ( 13.169 0.000 7.259) 15.037 8.306 ( -1.178 0.000 2.849) 3.083 8.388 ( 4.365 0.000 -15.485) 16.088 8.548 ( 6.453 0.000 2.890) 7.070 8.702 ( -3.955 0.000 -6.651) 7.738 8.992 ( -5.053 0.000 -6.744) 8.427 9.254 ( 3.703 0.000 -3.514) 5.105 9.364 ( -3.092 0.000 -0.735) 3.178 9.418 ( -2.929 0.000 -1.952) 3.520 9.457 ( -8.519 0.000 -0.855) 8.562 9.885 ( -0.462 0.000 4.264) 4.289 9.962 ( 7.401 0.000 -11.484) 13.662 10.086 ( -6.808 0.000 1.341) 6.939 10.118 ( 3.912 0.000 -4.050) 5.631 10.359 ( 6.061 0.000 -2.872) 6.707 10.749 ( 7.826 0.000 1.081) 7.900 10.929 ( -14.278 0.000 -7.315) 16.043 11.082 ( -5.541 0.000 -0.527) 5.566 11.519 ( -1.574 0.000 -2.805) 3.217 11.620 ( -8.350 0.000 -7.678) 11.343 11.814 ( -2.446 0.000 0.885) 2.601 11.944 ( 4.076 0.000 -3.911) 5.649 12.078 ( 1.661 0.000 7.957) 8.128 12.205 ( -7.081 0.000 4.559) 8.422 12.294 ( 10.111 0.000 -0.984) 10.159 12.522 ( 6.483 0.000 -7.028) 9.562 12.564 ( 1.198 0.000 -0.899) 1.498 12.696 ( -5.990 0.000 10.368) 11.974 12.812 ( -8.420 0.000 -1.842) 8.619 12.878 ( 2.563 0.000 1.104) 2.790 13.170 ( 7.872 0.000 23.430) 24.717 13.451 ( -7.103 0.000 11.028) 13.118 13.507 ( 7.753 0.000 -2.652) 8.194 13.675 ( 10.197 0.000 4.997) 11.355 13.822 ( -2.724 0.000 9.806) 10.177 14.169 ( -7.875 0.000 4.006) 8.835 14.210 ( 7.098 0.000 3.004) 7.708 14.228 ( -4.735 0.000 -4.665) 6.647 14.335 ( -6.122 0.000 3.018) 6.826 14.530 ( 12.715 0.000 -13.190) 18.320 15.264 ( -5.660 0.000 -2.167) 6.061 15.420 ( -0.965 0.000 6.719) 6.788 16.155 ( -3.703 0.000 -5.801) 6.882 16.368 ( -2.612 0.000 -8.085) 8.497 16.534 ( 5.619 0.000 0.583) 5.650 17.045 ( -1.088 0.000 10.329) 10.386 17.271 ( -5.532 0.000 1.599) 5.759 17.431 ( 5.466 0.000 -6.085) 8.180 17.592 ( 0.702 0.000 7.645) 7.677 17.794 ( 3.688 0.000 -0.586) 3.735 17.833 ( -1.699 0.000 5.529) 5.785 17.948 ( -0.626 0.000 0.813) 1.027 18.302 ( -6.162 0.000 5.312) 8.136 18.311 ( 2.513 0.000 3.368) 4.202 18.812 ( 3.312 0.000 -12.269) 12.708 19.102 ( -3.774 0.000 -11.260) 11.875 19.148 ( 6.407 0.000 -3.052) 7.096 19.221 ( 2.825 0.000 -4.387) 5.218 22.289 ( 1.211 0.000 4.510) 4.669 22.426 ( -2.718 0.000 1.971) 3.358 22.698 ( -5.442 0.000 3.838) 6.659 22.712 ( -0.505 0.000 1.287) 1.382 26.942 ( -3.800 0.000 -1.172) 3.977 27.014 ( 9.260 0.000 -10.091) 13.695 27.658 ( 4.799 0.000 18.215) 18.836 28.164 ( 17.389 0.000 -1.005) 17.418 29.993 ( -0.738 0.000 -2.301) 2.416 29.993 ( 2.420 0.000 -3.715) 4.433 30.227 ( 0.926 0.000 -0.174) 0.943 30.263 ( 2.868 0.000 -2.298) 3.675 31.343 ( -0.318 0.000 0.954) 1.006 31.508 ( -4.857 0.000 -0.986) 4.956 31.838 ( 1.718 0.000 -0.005) 1.718 31.902 ( -2.729 0.000 0.635) 2.801 32.133 ( 8.919 0.000 -1.595) 9.061 32.173 ( 1.796 0.000 1.369) 2.258 32.571 ( 1.412 0.000 1.363) 1.962 32.674 ( -7.755 0.000 2.048) 8.020 33.060 ( 0.479 0.000 2.600) 2.644 33.087 ( 1.474 0.000 3.059) 3.396 33.282 ( -0.050 0.000 0.032) 0.060 33.383 ( 3.480 0.000 -3.090) 4.654 34.405 ( 8.297 0.000 -1.605) 8.451 34.605 ( 2.839 0.000 9.390) 9.809 35.017 ( -10.770 0.000 -18.172) 21.124 35.255 ( -2.596 0.000 -7.880) 8.296 36.264 ( -10.389 0.000 10.224) 14.576 36.867 ( -3.710 0.000 -10.404) 11.046 37.510 ( -7.339 0.000 11.942) 14.017 37.665 ( -2.257 0.000 2.835) 3.624======================= Grid point 74 (38/66) =======================q-point: (-0.43 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 66Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.581 ( -19.328 0.000 -17.881) 26.330 1.841 ( -11.076 0.000 -19.943) 22.813 2.476 ( -15.943 0.000 4.300) 16.512 2.814 ( -3.461 0.000 2.993) 4.576 2.862 ( 0.920 0.000 -2.884) 3.027 2.990 ( 2.684 0.000 0.234) 2.694 3.026 ( -1.456 0.000 1.267) 1.930 3.106 ( 0.667 0.000 1.490) 1.632 3.122 ( -0.717 0.000 3.854) 3.920 3.134 ( 0.206 0.000 2.922) 2.929 3.447 ( -6.682 0.000 7.378) 9.954 3.540 ( -3.782 0.000 23.303) 23.608 3.602 ( -6.746 0.000 -0.409) 6.759 3.860 ( -6.435 0.000 5.195) 8.270 3.870 ( -14.634 0.000 17.360) 22.705 3.922 ( -1.598 0.000 16.088) 16.167 3.971 ( -5.547 0.000 13.212) 14.329 4.068 ( -0.481 0.000 -3.802) 3.832 4.259 ( -2.278 0.000 4.335) 4.898 4.388 ( -2.636 0.000 -4.238) 4.990 4.500 ( -1.129 0.000 4.226) 4.374 4.627 ( -9.619 0.000 -7.345) 12.102 4.664 ( 7.685 0.000 3.342) 8.380 5.044 ( 13.706 0.000 1.865) 13.832 5.139 ( -13.004 0.000 3.854) 13.563 5.282 ( 1.169 0.000 3.498) 3.688 5.336 ( -1.737 0.000 -9.593) 9.749 5.477 ( -3.978 0.000 -6.271) 7.426 5.507 ( -1.207 0.000 -3.260) 3.476 5.791 ( 4.602 0.000 7.586) 8.873 5.824 ( 9.418 0.000 -1.197) 9.493 6.240 ( -5.062 0.000 -2.076) 5.471 6.331 ( -2.439 0.000 0.162) 2.445 6.451 ( 7.507 0.000 -2.018) 7.774 6.630 ( -12.836 0.000 9.914) 16.219 6.783 ( 15.453 0.000 -6.234) 16.663 6.797 ( 7.310 0.000 -10.198) 12.548 7.098 ( -2.328 0.000 -2.365) 3.319 7.454 ( 1.298 0.000 2.974) 3.245 7.856 ( -0.690 0.000 3.062) 3.139 7.858 ( -0.932 0.000 -16.224) 16.251 7.953 ( 2.585 0.000 -3.589) 4.423 8.280 ( -3.375 0.000 4.097) 5.308 8.350 ( 6.865 0.000 1.441) 7.015 8.379 ( 6.150 0.000 -10.824) 12.449 8.557 ( -3.563 0.000 -8.761) 9.458 8.744 ( 10.520 0.000 2.259) 10.760 8.872 ( -2.802 0.000 -4.646) 5.426 9.251 ( -8.375 0.000 -2.590) 8.767 9.356 ( 8.599 0.000 -0.212) 8.601 9.391 ( 5.078 0.000 -1.909) 5.425 9.418 ( 3.263 0.000 -0.666) 3.330 9.839 ( -8.566 0.000 6.139) 10.539 9.964 ( -2.431 0.000 -6.058) 6.527 10.018 ( 4.312 0.000 -5.220) 6.771 10.245 ( 10.939 0.000 -5.131) 12.083 10.570 ( -11.442 0.000 -8.070) 14.002 10.592 ( 12.541 0.000 3.262) 12.958 10.973 ( -3.605 0.000 -3.906) 5.316 11.014 ( 12.981 0.000 1.453) 13.062 11.466 ( -2.531 0.000 -5.467) 6.025 11.480 ( -0.368 0.000 -2.758) 2.783 11.771 ( -3.616 0.000 2.638) 4.476 11.977 ( 2.582 0.000 -5.828) 6.374 12.108 ( -2.945 0.000 6.245) 6.904 12.167 ( 0.045 0.000 4.234) 4.234 12.330 ( -4.691 0.000 -3.196) 5.677 12.526 ( -2.093 0.000 -4.799) 5.236 12.589 ( -10.850 0.000 -2.061) 11.044 12.658 ( 6.474 0.000 5.046) 8.209 12.707 ( 0.182 0.000 7.957) 7.959 12.948 ( 3.594 0.000 0.658) 3.653 13.317 ( -10.101 0.000 5.851) 11.673 13.432 ( 3.378 0.000 22.237) 22.492 13.520 ( -7.530 0.000 2.341) 7.886 13.807 ( -1.277 0.000 -0.080) 1.280 13.928 ( 10.020 0.000 9.734) 13.970 14.055 ( -5.765 0.000 -5.834) 8.202 14.094 ( -1.527 0.000 5.943) 6.136 14.349 ( 8.849 0.000 -2.575) 9.216 14.452 ( 11.921 0.000 2.669) 12.216 14.746 ( 16.034 0.000 -16.479) 22.992 15.128 ( -8.367 0.000 4.649) 9.571 15.383 ( -5.357 0.000 0.172) 5.360 16.103 ( -0.218 0.000 0.832) 0.860 16.259 ( -2.797 0.000 -7.059) 7.593 16.685 ( 6.774 0.000 13.733) 15.313 16.935 ( -12.220 0.000 -0.191) 12.221 17.214 ( -1.556 0.000 1.721) 2.320 17.487 ( 3.885 0.000 -6.140) 7.266 17.615 ( -2.628 0.000 6.803) 7.293 17.832 ( 0.936 0.000 -2.825) 2.976 17.861 ( 1.263 0.000 5.250) 5.399 17.975 ( 3.163 0.000 -3.354) 4.610 18.170 ( -8.986 0.000 5.379) 10.472 18.390 ( 2.888 0.000 5.740) 6.425 18.875 ( 6.881 0.000 -6.144) 9.225 18.904 ( -8.638 0.000 -13.141) 15.726 19.212 ( 2.350 0.000 -5.609) 6.082 19.232 ( 1.262 0.000 -4.776) 4.940 22.346 ( 1.454 0.000 5.365) 5.559 22.410 ( 0.379 0.000 -0.737) 0.829 22.640 ( -2.586 0.000 4.575) 5.255 22.736 ( 1.806 0.000 1.894) 2.617 26.838 ( -6.105 0.000 -0.807) 6.158 27.094 ( 4.786 0.000 -8.535) 9.785 27.734 ( -6.742 0.000 14.445) 15.941 28.423 ( 10.916 0.000 -9.849) 14.702 29.965 ( -0.542 0.000 -2.560) 2.617 30.019 ( 2.281 0.000 -3.532) 4.204 30.219 ( -1.795 0.000 -0.174) 1.803 30.268 ( -0.968 0.000 -2.124) 2.334 31.403 ( 5.043 0.000 2.814) 5.775 31.416 ( -3.123 0.000 -2.513) 4.008 31.846 ( -3.123 0.000 0.216) 3.131 31.865 ( 0.468 0.000 1.227) 1.313 32.091 ( -7.827 0.000 0.446) 7.840 32.216 ( -2.085 0.000 -0.401) 2.123 32.589 ( 0.878 0.000 0.058) 0.880 32.728 ( 10.896 0.000 1.337) 10.977 33.071 ( -1.340 0.000 2.675) 2.992 33.149 ( 2.678 0.000 3.483) 4.394 33.280 ( 0.330 0.000 -0.667) 0.744 33.382 ( -0.283 0.000 -10.160) 10.164 34.544 ( -15.488 0.000 -10.352) 18.629 34.615 ( 11.549 0.000 3.962) 12.210 34.857 ( 5.709 0.000 8.895) 10.569 35.131 ( -3.993 0.000 -11.263) 11.950 36.200 ( -3.794 0.000 16.528) 16.958 36.768 ( 0.469 0.000 -10.402) 10.413 37.494 ( -1.895 0.000 12.702) 12.843 37.655 ( -0.320 0.000 2.544) 2.564======================= Grid point 75 (39/66) =======================q-point: (-0.29 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 66Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.288 ( -9.426 0.000 14.284) 17.114 1.659 ( -1.477 0.000 2.661) 3.044 2.106 ( -24.131 0.000 11.903) 26.906 2.719 ( -11.718 0.000 14.239) 18.441 2.771 ( -7.346 0.000 -5.088) 8.936 2.965 ( -4.010 0.000 -3.668) 5.434 3.033 ( 1.130 0.000 0.377) 1.191 3.091 ( -5.024 0.000 2.915) 5.809 3.134 ( 0.155 0.000 3.664) 3.667 3.171 ( 1.912 0.000 0.008) 1.912 3.323 ( -9.850 0.000 6.110) 11.591 3.481 ( -8.296 0.000 7.063) 10.895 3.549 ( -10.446 0.000 24.049) 26.220 3.602 ( -17.949 0.000 18.124) 25.508 3.752 ( -10.653 0.000 8.388) 13.559 3.894 ( -10.258 0.000 -1.010) 10.308 3.934 ( -4.711 0.000 -5.795) 7.469 4.022 ( 1.937 0.000 12.070) 12.225 4.153 ( -11.605 0.000 0.402) 11.612 4.311 ( -2.770 0.000 -4.650) 5.412 4.339 ( -9.891 0.000 -11.286) 15.007 4.484 ( -3.796 0.000 2.626) 4.616 4.526 ( -6.193 0.000 -10.458) 12.155 4.816 ( -20.035 0.000 2.195) 20.155 5.090 ( -10.191 0.000 -5.359) 11.514 5.271 ( 1.699 0.000 -8.763) 8.926 5.362 ( 7.808 0.000 -2.405) 8.170 5.648 ( 11.954 0.000 12.374) 17.205 5.662 ( 15.476 0.000 1.416) 15.541 5.925 ( 7.393 0.000 2.291) 7.740 5.946 ( 1.936 0.000 1.640) 2.537 6.127 ( -1.480 0.000 -15.427) 15.498 6.278 ( -4.356 0.000 15.069) 15.686 6.477 ( -9.658 0.000 13.244) 16.391 6.603 ( 8.441 0.000 -7.163) 11.071 6.853 ( 6.313 0.000 -7.031) 9.449 7.016 ( 9.942 0.000 -10.700) 14.606 7.020 ( -5.486 0.000 2.216) 5.917 7.558 ( 7.337 0.000 1.113) 7.421 7.758 ( -0.172 0.000 -11.304) 11.305 7.867 ( 0.609 0.000 2.216) 2.298 8.005 ( 3.590 0.000 -1.614) 3.936 8.234 ( -1.998 0.000 -0.500) 2.059 8.347 ( 4.610 0.000 -16.981) 17.595 8.493 ( 1.334 0.000 2.975) 3.261 8.494 ( 0.698 0.000 -4.208) 4.265 8.831 ( 1.546 0.000 -6.284) 6.472 8.948 ( 10.777 0.000 -5.865) 12.270 9.109 ( -4.546 0.000 -1.985) 4.961 9.426 ( 0.930 0.000 2.342) 2.520 9.528 ( 7.907 0.000 -1.797) 8.108 9.646 ( 13.843 0.000 1.340) 13.908 9.693 ( -7.259 0.000 1.387) 7.391 9.791 ( -11.538 0.000 -1.489) 11.634 10.155 ( 10.984 0.000 -2.622) 11.293 10.359 ( -6.160 0.000 -6.903) 9.252 10.451 ( 11.939 0.000 -3.407) 12.416 10.625 ( -7.356 0.000 -2.616) 7.808 11.075 ( 13.401 0.000 -0.137) 13.402 11.285 ( 12.880 0.000 1.523) 12.970 11.452 ( 1.949 0.000 -0.171) 1.956 11.495 ( 3.100 0.000 0.218) 3.108 11.718 ( -1.579 0.000 -0.024) 1.579 11.982 ( 1.409 0.000 -7.586) 7.716 12.078 ( -5.099 0.000 4.469) 6.781 12.159 ( 0.052 0.000 -3.510) 3.511 12.194 ( -7.447 0.000 3.925) 8.419 12.433 ( -4.274 0.000 -2.775) 5.096 12.451 ( -3.443 0.000 4.785) 5.895 12.722 ( -2.509 0.000 3.794) 4.548 12.776 ( 0.833 0.000 6.299) 6.354 13.008 ( 1.988 0.000 -0.147) 1.994 13.163 ( -7.776 0.000 3.340) 8.463 13.335 ( -9.843 0.000 2.401) 10.132 13.530 ( -4.501 0.000 12.448) 13.237 13.730 ( -2.898 0.000 -8.348) 8.837 13.959 ( -0.981 0.000 -2.791) 2.959 14.110 ( 3.638 0.000 4.590) 5.857 14.267 ( 12.672 0.000 11.559) 17.152 14.620 ( 20.911 0.000 -8.385) 22.529 14.656 ( 7.840 0.000 -2.287) 8.166 14.909 ( 9.986 0.000 -15.752) 18.651 15.020 ( -6.935 0.000 12.279) 14.102 15.236 ( -8.458 0.000 -1.814) 8.651 16.114 ( -0.936 0.000 3.128) 3.265 16.218 ( 2.536 0.000 -4.414) 5.091 16.646 ( -13.782 0.000 -7.180) 15.540 16.981 ( 11.320 0.000 24.931) 27.381 17.202 ( -1.009 0.000 2.406) 2.609 17.486 ( -0.516 0.000 -9.826) 9.840 17.582 ( -4.462 0.000 6.567) 7.939 17.798 ( -2.507 0.000 -5.478) 6.024 17.932 ( 1.932 0.000 5.393) 5.729 17.973 ( -2.204 0.000 -4.794) 5.276 18.060 ( -5.600 0.000 8.179) 9.912 18.469 ( -0.345 0.000 8.368) 8.375 18.653 ( -6.316 0.000 -14.291) 15.625 18.957 ( 4.430 0.000 -5.211) 6.840 19.186 ( -0.435 0.000 -6.289) 6.304 19.224 ( 1.153 0.000 -4.896) 5.030 22.396 ( -0.265 0.000 6.470) 6.475 22.403 ( -0.215 0.000 -3.235) 3.242 22.677 ( 3.616 0.000 4.710) 5.938 22.794 ( 2.596 0.000 2.560) 3.646 26.714 ( -5.703 0.000 -0.337) 5.713 27.111 ( 1.916 0.000 -6.072) 6.367 27.594 ( -13.796 0.000 9.116) 16.535 28.357 ( -10.131 0.000 -28.104) 29.874 29.949 ( 0.631 0.000 -2.517) 2.595 30.033 ( 0.940 0.000 -2.851) 3.002 30.160 ( -3.346 0.000 -0.859) 3.455 30.213 ( -3.110 0.000 -1.773) 3.580 31.377 ( 0.585 0.000 -0.489) 0.763 31.546 ( 6.925 0.000 3.892) 7.944 31.784 ( -3.229 0.000 -0.408) 3.255 31.848 ( -3.874 0.000 1.515) 4.159 31.965 ( -3.989 0.000 1.353) 4.213 32.080 ( -9.112 0.000 0.241) 9.115 32.688 ( 7.303 0.000 -1.150) 7.393 32.927 ( 8.367 0.000 -0.970) 8.423 33.044 ( -2.324 0.000 1.791) 2.934 33.168 ( -4.077 0.000 -7.703) 8.716 33.282 ( -0.153 0.000 -0.480) 0.504 33.299 ( 0.851 0.000 -1.882) 2.066 34.168 ( -15.004 0.000 -3.293) 15.361 34.831 ( 4.160 0.000 4.003) 5.773 35.010 ( 1.836 0.000 -10.817) 10.971 35.116 ( 12.155 0.000 8.314) 14.726 36.340 ( 6.081 0.000 24.577) 25.318 36.773 ( 5.275 0.000 -7.137) 8.875 37.595 ( 5.279 0.000 12.434) 13.508 37.681 ( 1.042 0.000 3.450) 3.604======================= Grid point 76 (40/66) =======================q-point: (-0.14 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 66Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.283 ( -7.731 0.000 32.628) 33.532 1.632 ( -17.187 0.000 31.333) 35.737 1.968 ( 7.592 0.000 16.847) 18.479 2.559 ( -12.498 0.000 17.751) 21.710 2.647 ( -3.154 0.000 13.929) 14.281 2.779 ( -12.475 0.000 -5.349) 13.573 2.981 ( -4.721 0.000 1.656) 5.003 3.076 ( 1.721 0.000 -0.274) 1.742 3.098 ( -6.013 0.000 1.247) 6.141 3.177 ( -6.833 0.000 5.296) 8.645 3.210 ( 1.936 0.000 -0.703) 2.060 3.349 ( -9.780 0.000 7.076) 12.071 3.408 ( -13.692 0.000 10.479) 17.242 3.450 ( -7.409 0.000 7.161) 10.304 3.554 ( -11.090 0.000 13.424) 17.412 3.645 ( -9.047 0.000 -3.865) 9.838 3.842 ( -4.372 0.000 -1.224) 4.540 3.921 ( -12.297 0.000 2.460) 12.541 4.021 ( -3.091 0.000 -8.375) 8.927 4.163 ( -0.475 0.000 -14.161) 14.169 4.281 ( 1.234 0.000 8.328) 8.419 4.379 ( -5.379 0.000 -4.072) 6.746 4.462 ( 1.464 0.000 -4.581) 4.809 4.606 ( -2.840 0.000 -0.768) 2.942 4.849 ( -9.449 0.000 -8.680) 12.831 5.266 ( 2.139 0.000 -8.221) 8.495 5.470 ( 5.661 0.000 -0.729) 5.708 5.835 ( 1.731 0.000 10.075) 10.222 5.861 ( -4.541 0.000 -3.612) 5.803 5.987 ( 8.174 0.000 6.798) 10.631 6.022 ( -0.573 0.000 0.905) 1.071 6.075 ( 2.588 0.000 -6.834) 7.308 6.274 ( -4.014 0.000 4.835) 6.283 6.536 ( 6.761 0.000 20.886) 21.953 6.582 ( -3.638 0.000 -12.720) 13.230 6.934 ( -1.351 0.000 -2.413) 2.766 7.035 ( -1.961 0.000 -5.648) 5.978 7.098 ( 17.410 0.000 4.965) 18.104 7.670 ( 4.300 0.000 -5.689) 7.132 7.729 ( 1.749 0.000 -6.499) 6.730 7.932 ( 4.692 0.000 3.148) 5.651 8.027 ( -0.866 0.000 -1.969) 2.151 8.222 ( 2.289 0.000 -3.232) 3.960 8.332 ( 2.629 0.000 -16.701) 16.907 8.476 ( -3.102 0.000 0.691) 3.178 8.501 ( 0.894 0.000 -1.058) 1.386 8.849 ( 4.001 0.000 -5.547) 6.840 9.019 ( -2.765 0.000 -4.984) 5.699 9.106 ( 9.701 0.000 -8.731) 13.051 9.434 ( -4.701 0.000 -5.415) 7.170 9.554 ( -5.222 0.000 6.474) 8.317 9.563 ( -2.606 0.000 0.779) 2.720 9.638 ( -0.001 0.000 -0.920) 0.920 9.864 ( 5.121 0.000 -1.072) 5.232 10.190 ( -6.027 0.000 -9.129) 10.939 10.307 ( 3.718 0.000 -6.805) 7.754 10.591 ( 9.639 0.000 0.901) 9.681 10.695 ( 12.495 0.000 3.523) 12.982 11.259 ( 2.633 0.000 0.036) 2.633 11.456 ( 4.103 0.000 -3.920) 5.674 11.516 ( 4.128 0.000 1.845) 4.522 11.592 ( 5.322 0.000 2.546) 5.900 11.764 ( 4.989 0.000 4.778) 6.908 11.944 ( -1.497 0.000 2.523) 2.933 11.975 ( -5.348 0.000 1.593) 5.580 12.136 ( -2.782 0.000 4.729) 5.487 12.177 ( 3.751 0.000 -4.586) 5.925 12.328 ( -5.342 0.000 -1.206) 5.476 12.459 ( -0.553 0.000 6.688) 6.711 12.654 ( -5.276 0.000 3.985) 6.612 12.807 ( 0.629 0.000 3.351) 3.410 12.995 ( -2.713 0.000 -2.306) 3.561 13.084 ( -1.856 0.000 1.594) 2.446 13.220 ( -3.590 0.000 1.459) 3.875 13.435 ( -8.039 0.000 2.539) 8.430 13.623 ( -0.053 0.000 -17.208) 17.208 13.962 ( 0.445 0.000 1.861) 1.914 14.210 ( 5.382 0.000 -2.812) 6.072 14.559 ( 10.771 0.000 3.536) 11.337 14.685 ( -4.265 0.000 -0.319) 4.277 14.955 ( -0.418 0.000 7.071) 7.084 15.006 ( 22.219 0.000 -10.013) 24.371 15.049 ( 7.344 0.000 -8.469) 11.209 15.054 ( -10.169 0.000 3.197) 10.660 16.088 ( -2.451 0.000 -0.508) 2.503 16.284 ( 5.217 0.000 -5.142) 7.325 16.380 ( -7.021 0.000 -5.927) 9.188 17.102 ( -23.054 0.000 -14.310) 27.134 17.208 ( 0.094 0.000 3.146) 3.148 17.464 ( 8.980 0.000 15.133) 17.597 17.535 ( -4.566 0.000 7.924) 9.145 17.598 ( -9.411 0.000 -4.061) 10.249 17.929 ( 0.340 0.000 3.715) 3.731 17.954 ( -2.975 0.000 7.822) 8.368 18.084 ( 2.107 0.000 7.547) 7.835 18.464 ( -7.174 0.000 9.569) 11.960 18.531 ( 0.755 0.000 -8.039) 8.075 18.986 ( 3.184 0.000 -8.003) 8.613 19.173 ( 3.514 0.000 -5.695) 6.692 19.221 ( 1.082 0.000 -3.966) 4.110 22.397 ( 2.374 0.000 -1.541) 2.831 22.400 ( -3.602 0.000 6.970) 7.846 22.803 ( 5.758 0.000 3.209) 6.592 22.855 ( 1.469 0.000 3.061) 3.395 26.642 ( -0.946 0.000 0.458) 1.051 27.121 ( 2.741 0.000 -3.765) 4.658 27.354 ( -13.928 0.000 4.831) 14.742 27.649 ( -40.391 0.000 -27.118) 48.649 29.963 ( 2.368 0.000 -2.375) 3.353 30.018 ( -0.962 0.000 -1.504) 1.785 30.115 ( -0.289 0.000 -1.672) 1.697 30.142 ( -2.922 0.000 -1.346) 3.217 31.440 ( 4.674 0.000 2.323) 5.220 31.682 ( 1.855 0.000 4.608) 4.967 31.723 ( -0.611 0.000 -1.867) 1.964 31.766 ( -3.687 0.000 0.794) 3.771 31.932 ( -5.258 0.000 0.121) 5.260 31.934 ( -1.889 0.000 2.489) 3.125 32.806 ( 4.897 0.000 -0.948) 4.988 32.943 ( -4.951 0.000 -5.664) 7.523 33.020 ( -0.979 0.000 1.915) 2.151 33.082 ( 1.704 0.000 0.237) 1.721 33.261 ( -1.411 0.000 -1.165) 1.830 33.343 ( 1.534 0.000 -1.384) 2.066 34.002 ( -2.640 0.000 7.245) 7.711 34.755 ( -5.476 0.000 -7.958) 9.660 35.128 ( 7.964 0.000 0.169) 7.966 35.339 ( 8.422 0.000 -3.256) 9.030 36.651 ( 8.174 0.000 19.012) 20.695 36.872 ( 7.481 0.000 -3.302) 8.177 37.730 ( 1.011 0.000 5.304) 5.400 37.864 ( 15.366 0.000 5.646) 16.370======================= Grid point 77 (41/66) =======================q-point: ( 0.00 0.20 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 106Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.719 ( 9.278 20.064 25.569) 33.799 2.050 ( 3.320 27.069 26.031) 37.701 2.399 ( 7.456 11.397 16.068) 21.063 2.601 ( -4.387 5.526 -4.767) 8.515 2.676 ( 5.351 7.090 4.225) 9.836 2.822 ( -1.695 0.185 21.450) 21.517 2.877 ( -3.567 -0.222 0.697) 3.641 3.054 ( -2.701 -0.736 4.618) 5.400 3.093 ( 2.318 0.320 3.559) 4.259 3.135 ( -4.264 2.220 9.616) 10.750 3.212 ( -5.316 -1.146 12.967) 14.061 3.247 ( -0.089 3.590 0.841) 3.688 3.356 ( 1.968 2.480 0.244) 3.175 3.501 ( -1.916 5.106 10.411) 11.753 3.573 ( 1.529 6.657 10.068) 12.166 3.663 ( -4.688 4.997 1.505) 7.016 3.709 ( 3.047 6.401 1.544) 7.256 3.862 ( -1.369 3.063 0.496) 3.391 3.962 ( -1.685 4.282 -7.684) 8.957 4.074 ( 1.309 -2.315 -13.458) 13.718 4.184 ( -3.398 -1.529 -3.925) 5.411 4.352 ( 1.426 -1.513 -1.311) 2.458 4.508 ( 2.931 4.367 -5.140) 7.354 4.521 ( -2.712 1.601 -9.983) 10.468 4.806 ( -3.477 11.032 -6.122) 13.087 5.192 ( -2.067 -4.730 -1.558) 5.392 5.450 ( -8.117 -17.942 -5.014) 20.321 5.537 ( 7.912 -5.735 5.660) 11.293 5.771 ( -2.645 -7.611 -0.418) 8.068 5.933 ( -15.614 -6.920 5.942) 18.083 5.962 ( 4.074 -8.218 6.270) 11.111 6.092 ( -2.293 -2.242 7.124) 7.813 6.330 ( 8.537 0.063 -3.689) 9.300 6.433 ( -3.796 0.134 -10.224) 10.906 6.676 ( -2.579 -10.108 -11.071) 15.211 6.838 ( 7.335 -5.436 0.037) 9.130 6.970 ( -0.601 5.242 16.254) 17.089 7.469 ( 11.212 -2.907 6.161) 13.119 7.531 ( -0.996 -10.114 -8.302) 13.122 7.633 ( -4.284 -5.625 -4.899) 8.602 7.803 ( 4.116 -14.603 0.054) 15.172 8.011 ( -0.078 -3.919 3.102) 4.999 8.065 ( -9.180 -7.696 -3.349) 12.438 8.199 ( 2.758 2.495 -8.030) 8.849 8.521 ( -0.549 5.410 -5.684) 7.867 8.672 ( 2.643 9.407 0.169) 9.772 8.965 ( -0.215 -1.803 -8.035) 8.238 9.039 ( -1.890 9.715 -7.825) 12.617 9.290 ( 7.613 6.524 -5.707) 11.537 9.349 ( -1.399 6.683 -7.139) 9.878 9.597 ( 6.924 3.117 1.763) 7.795 9.669 ( 0.857 3.573 1.917) 4.145 9.728 ( 3.463 9.012 -0.864) 9.693 9.928 ( -2.025 7.165 -5.276) 9.125 10.116 ( 1.017 4.999 -7.585) 9.141 10.273 ( 0.904 -2.314 -8.169) 8.539 10.854 ( 4.499 2.557 2.806) 5.886 10.938 ( 2.357 3.313 1.123) 4.218 11.123 ( -0.933 -7.284 2.438) 7.738 11.334 ( -0.054 -10.815 -5.542) 12.152 11.574 ( 4.005 -1.806 4.777) 6.490 11.693 ( 2.233 -2.370 -0.670) 3.324 11.860 ( 1.255 -0.952 6.171) 6.369 11.894 ( -7.806 -0.524 -0.099) 7.824 11.987 ( 1.178 -2.225 5.858) 6.376 12.114 ( 5.817 0.360 4.351) 7.273 12.177 ( -6.483 5.675 2.909) 9.094 12.346 ( -0.431 -7.839 1.433) 7.981 12.427 ( 2.287 5.773 1.405) 6.367 12.611 ( -2.666 -5.871 -2.873) 7.059 12.784 ( -0.222 -5.913 -2.678) 6.495 12.904 ( -1.824 -2.750 0.483) 3.335 13.055 ( -1.241 3.504 1.229) 3.915 13.240 ( -6.584 2.984 6.495) 9.718 13.426 ( 2.701 10.461 -3.069) 11.231 13.599 ( 4.486 6.547 -19.372) 20.935 14.026 ( 1.634 4.660 3.176) 5.871 14.284 ( -1.825 5.067 -3.856) 6.624 14.488 ( -2.720 -5.378 2.814) 6.652 14.569 ( -13.185 -2.605 6.790) 15.058 14.803 ( -15.071 -1.246 4.987) 15.923 15.051 ( -4.048 -2.955 -6.185) 7.961 15.163 ( 7.451 8.104 -7.851) 13.522 15.332 ( 10.266 2.738 -4.939) 11.717 16.046 ( 3.028 0.260 -5.240) 6.058 16.280 ( 3.314 1.662 -6.868) 7.805 16.414 ( 8.114 -2.124 -1.213) 8.475 16.460 ( -17.030 -3.761 -1.601) 17.514 17.283 ( -2.415 2.669 4.828) 6.022 17.383 ( -3.200 0.382 1.757) 3.671 17.449 ( -4.810 -4.141 9.893) 11.754 17.713 ( 11.178 -7.065 5.271) 14.235 17.934 ( -1.944 -0.305 10.293) 10.480 17.994 ( -3.769 2.421 7.361) 8.617 18.150 ( 0.890 -2.492 7.826) 8.261 18.216 ( -10.875 -3.655 8.398) 14.218 18.663 ( 7.757 4.899 -3.197) 9.716 19.007 ( 4.973 -0.176 -11.197) 12.253 19.156 ( 0.137 -4.484 -4.559) 6.396 19.194 ( 2.772 -2.612 -6.266) 7.333 22.402 ( -5.579 4.795 4.178) 8.461 22.510 ( 4.795 2.556 0.011) 5.434 22.830 ( -2.506 -3.290 3.555) 5.454 22.873 ( 2.196 -2.529 1.720) 3.765 26.751 ( 7.188 3.848 2.790) 8.618 26.855 ( -18.183 1.193 -1.166) 18.260 27.110 ( -7.995 -3.779 1.722) 9.009 27.174 ( 7.147 -5.009 -0.691) 8.754 29.996 ( -0.074 0.952 -1.660) 1.915 30.017 ( 2.294 0.952 -2.560) 3.567 30.105 ( 0.000 0.197 -1.760) 1.771 30.112 ( 0.801 -0.623 -1.851) 2.111 31.535 ( 3.286 -0.769 3.140) 4.610 31.575 ( -2.432 -2.866 1.675) 4.115 31.712 ( -1.101 -0.848 -0.150) 1.397 31.755 ( 0.360 0.213 -1.605) 1.659 32.051 ( 1.254 11.790 1.622) 11.967 32.078 ( -1.287 12.086 0.448) 12.162 32.771 ( -4.388 -5.511 0.880) 7.100 32.836 ( 2.147 -4.719 -1.879) 5.515 33.041 ( -1.206 1.579 0.304) 2.010 33.114 ( 0.502 1.879 -1.927) 2.738 33.214 ( -2.162 -0.980 -1.109) 2.620 33.293 ( 0.458 -3.083 -3.730) 4.861 34.204 ( 4.178 7.693 7.038) 11.232 34.576 ( -5.080 -1.547 -8.586) 10.096 35.264 ( 5.343 1.102 -0.691) 5.499 35.402 ( 4.087 -1.430 -7.987) 9.085 36.765 ( -2.591 -0.544 10.067) 10.409 36.966 ( 4.741 -2.941 -0.261) 5.585 37.737 ( -1.396 -2.747 6.695) 7.370 37.900 ( 0.567 -11.920 2.395) 12.171======================= Grid point 78 (42/66) =======================q-point: ( 0.14 0.20 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 106Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.103 ( 13.555 13.368 23.616) 30.334 2.393 ( 15.311 16.723 15.920) 27.705 2.537 ( 6.248 9.150 -3.943) 11.760 2.610 ( 1.214 4.598 4.409) 6.485 2.773 ( -1.845 5.278 -0.247) 5.597 2.881 ( 4.546 0.596 7.832) 9.076 2.929 ( 1.264 -3.052 7.622) 8.307 3.056 ( 0.571 -0.731 -0.368) 0.998 3.071 ( -1.412 0.521 5.175) 5.389 3.208 ( -1.046 -1.532 8.248) 8.454 3.292 ( 3.650 0.218 12.548) 13.070 3.337 ( 6.244 1.822 7.922) 10.250 3.408 ( -0.310 2.693 8.120) 8.561 3.601 ( 9.754 0.411 1.627) 9.897 3.656 ( 3.970 10.516 2.555) 11.527 3.772 ( -0.920 -1.015 -7.490) 7.615 3.840 ( 11.499 4.218 4.968) 13.217 3.853 ( 4.883 3.367 4.024) 7.168 3.931 ( 6.180 3.123 -4.804) 8.427 4.105 ( 7.400 2.333 -0.330) 7.767 4.119 ( 1.785 5.544 -7.231) 9.285 4.332 ( -0.131 10.407 -12.863) 16.546 4.394 ( -1.967 0.654 -4.508) 4.961 4.565 ( 11.388 4.542 -4.978) 13.232 4.857 ( 8.427 6.315 5.801) 12.023 5.102 ( -12.063 -9.345 15.721) 21.908 5.263 ( -2.024 -13.488 -18.047) 22.621 5.540 ( -18.977 -3.574 1.738) 19.389 5.719 ( 1.780 -3.510 9.237) 10.041 5.747 ( -1.355 -8.347 -1.466) 8.583 6.030 ( -2.261 -3.538 -0.092) 4.200 6.157 ( 1.808 -5.046 14.170) 15.150 6.272 ( -2.366 -1.510 -7.236) 7.761 6.495 ( 5.716 -1.705 -4.454) 7.444 6.609 ( 2.113 -7.288 -8.574) 11.449 6.874 ( -0.972 -5.075 -5.480) 7.532 7.110 ( 1.197 5.272 20.846) 21.535 7.389 ( -6.410 -6.365 -6.177) 10.943 7.581 ( 1.295 -9.191 -4.319) 10.237 7.688 ( 4.380 -8.417 7.554) 12.128 7.785 ( -7.364 -5.854 -8.130) 12.434 7.923 ( 1.867 -8.753 2.677) 9.342 8.017 ( -0.438 -1.099 0.579) 1.317 8.191 ( -0.237 3.897 -7.171) 8.165 8.488 ( 2.401 4.108 -9.819) 10.911 8.679 ( -2.865 8.920 1.117) 9.435 8.871 ( -1.984 -0.220 -9.460) 9.669 8.996 ( 2.793 2.230 -8.438) 9.164 9.292 ( 0.040 10.814 -5.161) 11.983 9.429 ( 6.969 8.191 -3.077) 11.186 9.667 ( -1.861 1.749 2.424) 3.521 9.719 ( 3.952 4.553 -4.493) 7.519 9.807 ( 4.656 4.064 -4.170) 7.456 9.885 ( 2.093 7.986 -4.571) 9.437 10.064 ( -0.295 2.516 -6.979) 7.424 10.306 ( 3.881 1.564 -2.389) 4.818 10.726 ( -14.918 0.262 0.300) 14.923 10.844 ( -8.695 4.580 -4.222) 10.696 11.175 ( -0.516 -8.797 3.918) 9.644 11.297 ( -0.921 -10.508 -6.097) 12.184 11.662 ( -3.272 0.248 1.999) 3.842 11.714 ( -7.885 -1.359 1.537) 8.148 11.775 ( 12.038 -5.780 -4.556) 14.110 11.919 ( -0.106 -2.500 7.776) 8.169 12.018 ( -1.113 0.003 7.428) 7.511 12.099 ( -1.359 3.626 2.491) 4.604 12.247 ( -0.104 -4.244 -1.270) 4.431 12.364 ( 4.952 -5.003 4.221) 8.208 12.435 ( -7.353 -6.125 -4.481) 10.567 12.561 ( 2.417 3.586 8.119) 9.199 12.775 ( 0.943 -11.141 -3.081) 11.597 12.889 ( -0.626 1.353 3.562) 3.862 13.043 ( 0.514 1.469 -2.207) 2.700 13.166 ( -5.163 1.328 9.316) 10.734 13.444 ( 0.425 11.819 -7.584) 14.049 13.620 ( 7.788 12.132 -9.197) 17.100 14.035 ( -6.403 2.011 3.375) 7.512 14.107 ( -10.330 9.184 1.741) 13.932 14.335 ( -8.539 -2.940 4.750) 10.204 14.390 ( -8.239 -0.125 6.976) 10.797 14.590 ( -9.331 -3.135 4.274) 10.731 14.860 ( -9.196 1.150 -3.399) 9.871 15.271 ( 4.551 0.986 -2.098) 5.108 15.422 ( 3.089 2.896 -1.336) 4.440 16.184 ( 12.377 -2.242 -8.822) 15.363 16.329 ( 0.261 -2.111 -3.499) 4.095 16.399 ( 10.117 3.712 -6.605) 12.640 16.635 ( 12.441 -1.357 3.467) 12.986 17.231 ( -2.167 -3.100 3.806) 5.366 17.354 ( -5.827 -4.126 8.184) 10.861 17.493 ( 5.254 5.195 3.116) 8.019 17.801 ( -0.851 1.189 -3.339) 3.645 17.911 ( -6.997 0.778 8.090) 10.725 18.052 ( 2.085 -6.205 13.812) 15.285 18.096 ( -3.413 -0.086 4.037) 5.287 18.222 ( 0.906 -2.957 7.233) 7.867 18.817 ( 9.143 2.613 -2.819) 9.918 19.024 ( 3.759 -0.209 -13.578) 14.091 19.107 ( -0.957 -3.857 -4.881) 6.294 19.230 ( 3.818 -1.792 -6.133) 7.443 22.319 ( -4.479 4.062 3.442) 6.958 22.551 ( -1.269 1.642 1.613) 2.629 22.772 ( -4.990 -3.690 2.700) 6.768 22.867 ( -3.643 -2.065 1.944) 4.617 26.734 ( 4.183 3.063 -2.449) 5.734 26.978 ( 7.782 0.906 3.679) 8.656 27.037 ( 4.159 -1.140 4.209) 6.026 27.395 ( 14.489 -6.052 1.097) 15.740 29.978 ( 0.228 0.742 -2.712) 2.821 30.048 ( 0.756 1.284 -2.157) 2.622 30.107 ( 3.162 -0.764 -2.041) 3.840 30.154 ( 3.193 0.007 -1.385) 3.480 31.509 ( -4.665 -0.084 0.711) 4.720 31.608 ( 1.919 -1.392 3.004) 3.826 31.692 ( -0.720 -1.851 -1.265) 2.355 31.779 ( 2.399 -2.617 0.266) 3.560 32.090 ( 2.987 13.720 -0.787) 14.064 32.103 ( 3.062 11.376 1.798) 11.917 32.682 ( -5.293 -5.443 0.850) 7.640 32.880 ( 2.379 -1.595 -0.776) 2.968 33.029 ( -0.608 -0.280 1.671) 1.800 33.101 ( -1.145 3.323 -0.475) 3.546 33.184 ( -0.243 -3.637 0.926) 3.761 33.285 ( 0.869 -1.788 -2.383) 3.103 34.320 ( 2.317 0.742 5.601) 6.107 34.447 ( -2.320 0.712 -6.416) 6.859 35.325 ( 2.196 0.848 -3.263) 4.024 35.386 ( 0.372 -0.543 -11.489) 11.508 36.677 ( -10.497 1.166 6.521) 12.413 37.000 ( -1.086 -5.024 -1.355) 5.316 37.717 ( -4.815 -3.315 6.452) 8.706 37.815 ( -8.778 -5.475 3.859) 11.042======================= Grid point 79 (43/66) =======================q-point: ( 0.29 0.20 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 106Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.460 ( 8.033 2.784 6.669) 10.806 2.552 ( -4.272 7.874 -1.452) 9.075 2.646 ( 4.451 5.124 -5.377) 8.659 2.676 ( -2.115 -3.234 10.297) 10.998 2.736 ( 3.516 6.226 1.464) 7.299 2.955 ( 0.241 -1.137 7.060) 7.155 2.983 ( 2.523 -0.297 0.515) 2.592 3.002 ( -2.818 -2.840 -13.310) 13.899 3.104 ( 1.682 1.150 3.063) 3.678 3.166 ( -4.008 -0.357 -2.185) 4.579 3.321 ( 0.133 -2.846 6.456) 7.057 3.462 ( -0.276 5.932 11.759) 13.174 3.515 ( -2.148 -10.588 7.733) 13.286 3.746 ( 1.935 -1.334 6.105) 6.542 3.781 ( 8.314 -3.020 0.467) 8.858 3.835 ( 7.089 9.066 5.888) 12.927 3.900 ( -0.343 -1.816 0.745) 1.992 4.048 ( 7.364 12.622 -2.390) 14.807 4.089 ( 2.474 3.112 6.050) 7.239 4.155 ( 15.659 10.784 3.144) 19.271 4.218 ( 7.740 12.178 -12.926) 19.373 4.435 ( 4.490 -2.299 6.926) 8.568 4.581 ( 13.027 0.984 11.688) 17.530 4.941 ( 15.376 4.084 -0.407) 15.914 4.964 ( 9.600 -8.685 3.775) 13.484 5.096 ( 1.525 -6.536 6.992) 9.692 5.196 ( 7.524 -4.076 -12.372) 15.043 5.295 ( 0.839 8.244 5.011) 9.684 5.640 ( -3.690 -5.817 -8.853) 11.218 5.776 ( -3.980 1.892 5.348) 6.930 5.917 ( -7.598 -1.000 -2.409) 8.033 6.220 ( 1.197 -3.339 9.530) 10.168 6.311 ( 3.359 -0.454 1.975) 3.923 6.463 ( -3.699 0.897 -5.815) 6.950 6.633 ( 3.284 -9.508 -11.826) 15.526 6.781 ( -6.755 0.147 2.973) 7.381 7.114 ( -7.184 2.812 -0.006) 7.715 7.358 ( 0.241 0.190 12.580) 12.583 7.533 ( -6.495 6.226 -6.302) 10.985 7.644 ( 6.406 -10.329 -2.346) 12.378 7.820 ( 1.943 -12.799 1.737) 13.062 7.947 ( -3.541 -2.426 3.057) 5.270 8.009 ( 0.434 -1.652 -0.437) 1.763 8.154 ( 2.760 -1.780 -7.114) 7.836 8.498 ( 3.979 3.195 -8.246) 9.697 8.593 ( -3.994 7.929 -2.640) 9.262 8.791 ( -2.067 -1.084 -8.979) 9.278 9.015 ( 3.792 -3.349 -11.124) 12.220 9.275 ( -0.130 9.550 -1.095) 9.613 9.464 ( -2.399 4.671 -1.245) 5.396 9.565 ( -7.863 3.371 -1.201) 8.639 9.765 ( -4.500 4.867 -2.489) 7.081 9.791 ( 6.691 3.694 -7.940) 11.021 9.986 ( 7.933 6.987 -6.523) 12.421 10.062 ( 4.348 2.161 -1.933) 5.226 10.334 ( -6.393 9.289 2.416) 11.532 10.433 ( -8.498 -3.877 -1.434) 9.451 10.642 ( -5.930 1.555 -5.232) 8.060 11.120 ( -5.349 -7.635 -0.348) 9.329 11.206 ( -5.945 -7.742 -2.558) 10.091 11.541 ( -7.742 1.198 -0.437) 7.846 11.655 ( -0.560 -4.428 3.375) 5.595 11.848 ( -1.085 -4.482 -1.438) 4.831 11.946 ( -0.990 -2.888 2.019) 3.661 12.030 ( -6.019 0.208 -4.024) 7.243 12.178 ( 1.516 0.735 3.416) 3.808 12.236 ( -0.044 -3.046 -3.420) 4.580 12.251 ( 9.784 -7.118 -5.950) 13.483 12.512 ( 3.035 -7.644 9.632) 12.666 12.689 ( 3.752 0.770 8.197) 9.047 12.766 ( -2.274 -5.501 1.989) 6.276 12.922 ( 0.304 4.914 9.079) 10.328 13.037 ( -0.774 0.390 -1.586) 1.807 13.205 ( 3.061 -4.688 11.469) 12.763 13.423 ( 1.695 6.217 -2.380) 6.869 13.675 ( -3.489 4.280 3.243) 6.403 13.862 ( -5.254 0.457 4.398) 6.867 14.091 ( 0.953 -1.702 3.361) 3.886 14.255 ( -6.056 1.295 5.399) 8.215 14.329 ( 4.400 6.815 -5.654) 9.888 14.450 ( -8.182 -1.983 4.791) 9.687 14.681 ( -6.053 5.856 -4.836) 9.712 15.317 ( 0.879 0.662 -0.428) 1.180 15.445 ( -0.261 2.428 0.150) 2.446 16.285 ( -1.539 0.663 -7.867) 8.043 16.356 ( 7.872 -1.965 -1.409) 8.235 16.506 ( 4.606 4.752 -9.533) 11.605 16.892 ( 8.366 -1.374 9.863) 13.006 17.239 ( -1.350 -6.038 1.161) 6.295 17.320 ( 0.177 -4.232 7.055) 8.229 17.592 ( 2.167 5.489 2.029) 6.240 17.781 ( 1.217 3.011 -0.586) 3.301 17.848 ( -3.765 0.274 7.314) 8.231 18.012 ( -3.999 1.290 3.318) 5.354 18.197 ( 3.767 -3.573 4.752) 7.039 18.273 ( -0.228 -3.885 6.692) 7.742 18.874 ( -0.242 -2.054 -12.585) 12.754 19.059 ( 7.256 3.965 -3.486) 8.973 19.084 ( 2.059 -4.327 -8.939) 10.143 19.265 ( 3.573 1.710 -5.941) 7.141 22.286 ( -1.048 2.980 3.487) 4.706 22.502 ( -4.377 1.333 2.946) 5.442 22.692 ( -4.039 -4.061 1.784) 5.999 22.779 ( -6.198 -1.947 2.772) 7.063 26.868 ( 10.346 0.985 -7.090) 12.581 26.986 ( -0.426 -1.203 -1.355) 1.861 27.356 ( 13.613 0.369 13.508) 19.181 27.716 ( 16.748 -7.836 1.735) 18.572 29.975 ( 1.313 0.419 -3.409) 3.677 30.035 ( -0.227 1.037 -2.406) 2.630 30.177 ( 4.182 -0.627 -1.469) 4.477 30.210 ( 3.232 0.290 -1.310) 3.499 31.421 ( -4.079 2.331 0.317) 4.709 31.609 ( -3.312 1.403 0.573) 3.642 31.697 ( 2.161 -5.597 0.066) 6.000 31.827 ( 1.377 -5.482 0.992) 5.739 32.180 ( 6.797 11.829 -1.637) 13.741 32.208 ( 6.589 14.461 1.639) 15.976 32.585 ( -4.901 -2.908 1.760) 5.964 32.890 ( -1.873 4.456 0.199) 4.837 33.030 ( -0.447 -0.473 1.738) 1.856 33.081 ( -0.357 2.513 0.952) 2.711 33.211 ( 1.463 -5.076 1.983) 5.643 33.310 ( 2.614 -1.399 -0.473) 3.003 34.314 ( 0.285 -1.586 -4.073) 4.380 34.470 ( 2.176 -1.933 5.475) 6.201 35.266 ( -4.215 -0.073 -14.722) 15.313 35.320 ( -0.647 -0.108 -6.397) 6.430 36.478 ( -12.793 2.393 6.277) 14.449 36.914 ( -5.394 -7.480 -4.034) 10.066 37.621 ( -8.649 -1.244 7.871) 11.760 37.698 ( -5.027 -1.320 4.001) 6.559======================= Grid point 80 (44/66) =======================q-point: (-0.57 0.20 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 106Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.151 ( -19.797 1.213 -25.653) 32.426 2.345 ( -12.026 10.986 -18.326) 24.519 2.667 ( -0.234 2.816 -2.386) 3.699 2.813 ( 2.270 0.400 -0.292) 2.324 2.823 ( 3.983 -0.298 5.785) 7.030 2.926 ( 0.529 -1.519 7.137) 7.316 3.002 ( -0.446 -2.723 5.542) 6.191 3.062 ( 3.827 -0.017 2.963) 4.840 3.108 ( -1.713 -1.555 1.861) 2.970 3.161 ( 1.466 2.110 2.083) 3.307 3.338 ( -3.375 -7.484 0.030) 8.209 3.384 ( -2.417 -7.082 7.910) 10.889 3.661 ( -1.207 -2.132 21.761) 21.898 3.809 ( -2.347 -3.053 7.862) 8.754 3.829 ( 0.951 -2.234 13.114) 13.337 3.905 ( -0.968 -0.895 1.737) 2.181 3.994 ( -0.241 0.327 8.943) 8.952 4.111 ( 0.271 4.374 -4.332) 6.162 4.165 ( 3.600 -1.672 0.054) 3.969 4.219 ( 4.547 2.949 4.566) 7.087 4.490 ( 1.236 4.053 -1.581) 4.523 4.586 ( 10.554 -7.801 6.730) 14.749 4.803 ( 13.658 17.574 3.823) 22.583 4.915 ( -9.704 -1.753 9.142) 13.447 5.143 ( 8.754 1.877 -6.798) 11.242 5.327 ( 1.057 -3.534 -2.982) 4.743 5.379 ( -1.524 -1.057 2.652) 3.236 5.462 ( 10.146 5.260 -2.614) 11.723 5.615 ( 6.691 -2.695 -2.826) 7.747 5.777 ( 0.437 1.247 -5.248) 5.411 5.811 ( 10.509 17.563 1.507) 20.523 6.272 ( -1.569 -3.673 4.101) 5.724 6.343 ( -2.727 2.809 -0.471) 3.943 6.384 ( 2.709 1.495 -3.530) 4.694 6.598 ( 0.201 -7.605 -5.669) 9.488 6.678 ( -3.574 1.120 1.772) 4.143 6.990 ( -4.394 5.995 2.371) 7.802 7.280 ( -9.782 7.425 -4.597) 13.113 7.486 ( 0.556 4.649 1.422) 4.893 7.796 ( 0.653 -10.354 -3.952) 11.101 7.811 ( 3.710 -6.331 5.173) 8.978 7.924 ( 2.000 -2.660 -0.717) 3.404 8.050 ( 4.548 -4.941 2.929) 7.327 8.190 ( 3.295 -5.469 -4.066) 7.570 8.525 ( 0.020 7.578 -8.918) 11.703 8.559 ( 6.467 0.940 -3.065) 7.217 8.647 ( -7.273 -4.850 -7.188) 11.318 8.947 ( -4.682 -4.397 -8.068) 10.313 9.297 ( 0.953 4.212 0.764) 4.385 9.362 ( -3.125 2.350 -1.901) 4.347 9.455 ( 0.760 6.879 -5.489) 8.834 9.631 ( -7.005 7.660 -2.985) 10.800 9.836 ( -0.264 -0.457 -4.311) 4.343 10.062 ( 1.425 1.931 -10.620) 10.888 10.101 ( -0.656 9.092 2.174) 9.371 10.225 ( -1.509 6.864 1.534) 7.193 10.370 ( 6.905 2.191 -2.305) 7.602 10.693 ( 10.004 -6.916 0.399) 12.168 10.959 ( -10.992 1.392 -5.106) 12.200 11.048 ( -6.920 -3.386 -1.246) 7.804 11.437 ( -1.734 -2.852 -1.495) 3.657 11.627 ( -3.866 -0.343 -1.818) 4.286 11.849 ( -2.765 0.594 2.413) 3.717 11.907 ( 2.549 -2.116 -2.995) 4.466 11.921 ( -2.254 -10.057 0.554) 10.322 12.084 ( -4.854 -7.545 0.702) 8.999 12.327 ( 2.083 -1.548 -0.913) 2.751 12.450 ( 9.531 -8.140 -8.487) 15.137 12.592 ( 1.245 0.300 7.641) 7.748 12.716 ( -2.524 5.819 7.113) 9.530 12.820 ( 3.977 -8.656 1.487) 9.642 12.967 ( -5.885 6.496 0.294) 8.770 13.035 ( 4.565 -3.549 16.783) 17.751 13.294 ( -5.632 -6.446 10.110) 13.247 13.473 ( 4.619 -6.342 2.982) 8.394 13.646 ( 0.547 -4.875 4.948) 6.968 13.851 ( -0.162 3.513 7.971) 8.712 14.081 ( -3.861 -2.515 -0.019) 4.608 14.258 ( 4.283 1.997 4.003) 6.193 14.331 ( -4.941 -0.099 2.684) 5.624 14.416 ( 2.692 11.422 -3.726) 12.313 14.613 ( 5.924 6.474 -9.740) 13.110 15.273 ( -4.809 1.414 -1.712) 5.297 15.431 ( -2.128 0.194 2.001) 2.928 16.195 ( -2.538 3.790 -5.120) 6.857 16.446 ( -1.562 7.059 -3.613) 8.082 16.514 ( 5.000 -2.280 -0.703) 5.540 17.019 ( -1.952 -3.687 8.263) 9.256 17.203 ( -2.069 -3.398 2.534) 4.717 17.398 ( 3.422 -3.104 1.364) 4.818 17.622 ( 0.052 2.174 3.610) 4.214 17.791 ( -0.579 -1.037 1.736) 2.104 17.869 ( 1.590 3.723 1.760) 4.414 17.978 ( -0.110 2.223 -0.657) 2.320 18.260 ( -3.916 -3.229 5.828) 7.728 18.286 ( 1.711 -2.491 4.239) 5.206 18.812 ( 3.305 0.231 -11.665) 12.126 19.017 ( -3.009 -5.592 -8.386) 10.519 19.197 ( 7.214 4.402 -5.248) 9.948 19.293 ( 2.680 3.951 -5.949) 7.628 22.311 ( 0.897 2.216 4.450) 5.051 22.440 ( -3.054 1.262 2.358) 4.060 22.645 ( -2.959 -4.104 3.035) 5.900 22.690 ( -3.109 -2.465 1.943) 4.417 26.947 ( -2.508 0.518 -1.415) 2.926 27.007 ( 7.682 -0.603 -8.331) 11.348 27.633 ( 4.977 -1.648 14.791) 15.693 28.026 ( 13.719 -11.575 0.054) 17.950 29.988 ( 1.875 0.121 -3.368) 3.856 30.014 ( -0.217 0.809 -3.117) 3.227 30.225 ( 1.035 -0.004 -0.131) 1.043 30.259 ( 2.480 -0.336 -1.896) 3.139 31.377 ( -0.589 3.259 1.325) 3.567 31.529 ( -3.857 2.232 -1.874) 4.834 31.744 ( 1.828 -6.242 1.541) 6.684 31.831 ( -1.162 -4.990 0.427) 5.141 32.285 ( -0.166 7.929 1.629) 8.096 32.341 ( 7.872 14.144 -2.771) 16.422 32.583 ( 5.767 4.487 3.145) 7.955 32.800 ( -7.207 9.214 0.909) 11.733 33.038 ( 0.053 -1.267 2.600) 2.893 33.103 ( 1.318 0.895 1.559) 2.228 33.246 ( 1.261 -3.352 0.664) 3.642 33.363 ( 3.017 -1.990 -2.544) 4.419 34.372 ( 7.389 -2.742 -0.392) 7.891 34.543 ( 1.087 -5.819 8.377) 10.257 35.033 ( -9.332 1.792 -16.956) 19.437 35.237 ( -3.320 -1.868 -9.025) 9.796 36.297 ( -9.620 3.323 9.004) 13.589 36.778 ( -4.485 -7.891 -6.705) 11.285 37.524 ( -6.056 1.218 9.384) 11.235 37.648 ( -2.426 -1.588 2.806) 4.035======================= Grid point 81 (45/66) =======================q-point: (-0.43 0.20 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 106Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.649 ( -16.780 8.809 -13.288) 23.146 1.993 ( -9.131 12.922 -20.714) 26.066 2.553 ( -12.533 5.537 4.753) 14.502 2.818 ( -1.076 -1.517 -2.706) 3.284 2.869 ( -0.003 2.110 3.921) 4.453 2.977 ( -0.721 -2.375 0.903) 2.641 3.022 ( -0.447 0.725 5.257) 5.326 3.096 ( -1.933 -1.462 5.494) 6.005 3.144 ( 3.427 2.595 1.320) 4.497 3.173 ( -1.324 2.890 0.992) 3.330 3.347 ( 1.495 -12.109 8.075) 14.631 3.388 ( -3.873 -9.059 10.593) 14.466 3.643 ( -8.706 -3.232 14.318) 17.066 3.748 ( -8.772 1.907 7.318) 11.582 3.846 ( -5.062 -2.924 11.378) 12.792 3.929 ( -7.874 3.730 14.398) 16.829 3.987 ( 1.056 -2.281 9.726) 10.045 4.122 ( -2.878 -4.232 -1.674) 5.385 4.270 ( 4.538 0.446 5.941) 7.489 4.321 ( 5.386 -6.992 1.100) 8.894 4.438 ( -6.941 7.372 -2.222) 10.366 4.763 ( -5.466 9.227 -7.256) 12.949 4.865 ( 13.494 -12.270 -2.552) 18.416 4.910 ( -1.356 6.645 1.332) 6.912 5.074 ( -15.195 5.319 -3.099) 16.394 5.143 ( -14.125 -5.753 -0.418) 15.257 5.335 ( -0.990 2.255 5.707) 6.216 5.439 ( -7.448 -1.036 -5.972) 9.603 5.733 ( 4.795 -0.349 -0.349) 4.820 5.837 ( 6.438 11.652 -4.472) 14.043 6.026 ( 7.916 13.212 1.388) 15.465 6.261 ( -2.030 0.839 0.141) 2.201 6.269 ( -5.474 -2.323 -3.832) 7.074 6.420 ( 2.791 -1.561 1.221) 3.423 6.574 ( 1.758 -4.092 0.252) 4.461 6.814 ( 14.843 5.800 -6.789) 17.322 6.993 ( 0.579 11.713 6.366) 13.344 7.051 ( -8.751 -2.954 -3.510) 9.880 7.475 ( -1.749 1.487 2.049) 3.077 7.768 ( 1.364 -5.146 -9.291) 10.708 7.868 ( 0.140 -1.332 0.279) 1.368 7.946 ( 0.748 -1.367 -1.748) 2.342 8.183 ( -1.649 -8.338 2.439) 8.842 8.265 ( 8.382 -9.272 4.705) 13.355 8.445 ( 0.244 2.560 -11.900) 12.175 8.527 ( 1.420 2.527 -10.833) 11.214 8.723 ( 10.832 -2.061 -0.021) 11.026 8.834 ( -0.820 -2.954 -6.241) 6.953 9.259 ( -0.373 -0.767 2.027) 2.199 9.427 ( 0.497 5.363 -3.412) 6.376 9.477 ( 1.365 8.142 -5.191) 9.752 9.526 ( 6.691 8.572 -1.531) 10.981 9.751 ( -4.322 -4.853 -1.850) 6.757 9.957 ( -6.461 2.100 -2.541) 7.253 10.136 ( 3.415 8.803 -1.440) 9.551 10.291 ( 9.670 4.372 -4.674) 11.596 10.587 ( 7.570 -0.732 3.225) 8.261 10.682 ( -9.825 5.022 -9.168) 14.346 10.939 ( -1.488 -3.124 -3.313) 4.790 10.943 ( 12.880 -5.586 2.587) 14.275 11.451 ( 3.635 2.914 -0.022) 4.659 11.537 ( -2.117 2.603 -4.521) 5.630 11.781 ( -4.330 0.161 1.070) 4.463 11.874 ( -2.832 -9.860 3.225) 10.754 12.003 ( -0.710 -11.609 2.471) 11.891 12.035 ( 4.664 -1.923 -1.935) 5.403 12.276 ( -4.184 -2.095 -3.398) 5.783 12.490 ( 0.097 -4.580 -6.615) 8.046 12.639 ( -1.849 -4.548 4.742) 6.826 12.770 ( 0.476 6.519 1.238) 6.653 12.781 ( -6.240 5.799 7.823) 11.566 12.898 ( -0.089 -3.160 1.094) 3.345 13.184 ( -5.638 -6.490 4.285) 9.606 13.273 ( 5.834 -7.533 17.457) 19.888 13.548 ( -1.368 -2.161 3.523) 4.353 13.707 ( 2.160 -9.557 2.761) 10.180 13.957 ( 5.712 2.661 8.599) 10.661 13.990 ( -5.234 -0.529 0.266) 5.267 14.277 ( -3.196 10.634 -2.028) 11.288 14.370 ( 8.444 1.893 -0.401) 8.662 14.497 ( 8.933 2.919 4.893) 10.595 14.755 ( 12.425 0.592 -13.722) 18.521 15.145 ( -7.872 1.624 3.332) 8.701 15.356 ( -5.845 -2.429 -1.688) 6.550 16.155 ( -0.667 4.636 1.095) 4.810 16.336 ( -3.544 5.636 -8.260) 10.609 16.659 ( 4.534 -1.690 13.026) 13.896 16.918 ( -9.198 -2.409 0.041) 9.508 17.196 ( -1.223 -0.273 4.075) 4.263 17.449 ( 1.519 -2.870 -0.666) 3.315 17.640 ( -0.543 1.621 3.232) 3.656 17.799 ( 0.328 -2.003 0.693) 2.145 17.893 ( 0.561 1.937 0.904) 2.210 17.979 ( 0.617 -0.122 -4.449) 4.493 18.190 ( -5.048 1.910 6.063) 8.117 18.360 ( 2.554 -2.677 5.388) 6.536 18.845 ( -0.179 -2.280 -8.115) 8.431 18.873 ( -1.266 -2.120 -9.182) 9.508 19.255 ( 1.902 3.653 -5.978) 7.260 19.292 ( 1.247 4.287 -6.890) 8.210 22.356 ( 0.296 1.007 4.802) 4.916 22.427 ( 0.913 1.572 0.624) 1.922 22.601 ( -2.412 -3.306 4.359) 5.979 22.703 ( 2.040 -3.071 1.849) 4.124 26.861 ( -5.263 2.235 -1.002) 5.805 27.071 ( 3.556 -2.161 -7.090) 8.221 27.701 ( -5.940 -2.321 11.669) 13.298 28.204 ( 4.855 -17.540 -5.890) 19.129 29.979 ( -0.388 0.913 -3.130) 3.284 30.018 ( 2.336 -0.237 -3.419) 4.148 30.216 ( -1.966 0.040 0.003) 1.966 30.268 ( -0.526 -0.211 -1.866) 1.950 31.403 ( 0.480 1.466 1.930) 2.471 31.468 ( 0.324 3.350 -1.608) 3.730 31.780 ( 0.620 -6.197 2.038) 6.553 31.800 ( -1.798 -3.181 -0.144) 3.657 32.207 ( -6.402 9.295 1.957) 11.455 32.424 ( -1.331 15.039 -2.838) 15.362 32.691 ( -0.237 5.466 -0.917) 5.547 32.788 ( 10.380 8.388 2.025) 13.498 33.050 ( -0.884 -1.243 2.581) 2.998 33.145 ( 2.467 -0.916 1.405) 2.983 33.271 ( 1.138 -0.584 -0.519) 1.380 33.363 ( -0.171 -2.092 -8.760) 9.008 34.485 ( -7.278 -3.851 -3.060) 8.784 34.617 ( 9.935 -1.551 1.940) 10.241 34.851 ( 1.476 0.211 4.034) 4.301 35.093 ( -4.772 -3.581 -11.708) 13.140 36.236 ( -3.378 3.483 14.253) 15.056 36.691 ( 0.188 -6.885 -6.656) 9.578 37.504 ( -1.995 0.965 10.340) 10.575 37.636 ( -0.486 -1.836 2.628) 3.243======================= Grid point 82 (46/66) =======================q-point: (-0.29 0.20 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 106Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.428 ( -5.975 16.230 13.603) 22.003 1.837 ( 0.692 14.277 -1.177) 14.342 2.293 ( -17.171 13.631 13.002) 25.489 2.740 ( -5.743 -0.612 0.649) 5.812 2.837 ( -7.249 7.238 6.950) 12.379 2.953 ( -2.403 -1.557 -2.775) 3.987 3.021 ( -0.177 -0.835 2.693) 2.825 3.098 ( -2.831 0.258 4.999) 5.751 3.135 ( -2.446 1.309 0.435) 2.808 3.204 ( 1.801 2.096 -0.447) 2.799 3.356 ( -7.095 -3.698 12.664) 14.980 3.370 ( -3.768 -3.919 5.055) 7.424 3.548 ( -9.515 -5.721 12.008) 16.354 3.659 ( -7.158 -0.143 13.540) 15.316 3.734 ( -12.740 4.711 10.196) 16.984 3.827 ( -8.399 4.712 9.298) 13.387 3.956 ( -6.263 -0.793 1.542) 6.499 4.122 ( 0.089 4.793 5.230) 7.094 4.214 ( -12.203 6.396 1.310) 13.840 4.295 ( -3.535 -2.473 -4.658) 6.349 4.384 ( -6.380 -1.352 0.648) 6.554 4.523 ( -14.914 0.800 -11.287) 18.720 4.572 ( -9.497 11.068 -1.926) 14.711 4.800 ( -14.767 1.769 -1.705) 14.970 5.046 ( 3.494 -16.729 -2.548) 17.279 5.155 ( 2.585 -2.951 -9.105) 9.914 5.275 ( 5.052 -5.171 1.568) 7.397 5.336 ( 3.709 -9.024 -2.081) 9.976 5.778 ( 0.317 -4.145 3.814) 5.642 5.957 ( 2.840 7.777 4.613) 9.478 6.066 ( -4.236 -1.358 -9.629) 10.607 6.198 ( 5.533 9.771 -4.431) 12.071 6.249 ( -1.627 -0.366 9.672) 9.815 6.433 ( -3.008 0.896 1.776) 3.606 6.688 ( 8.748 -7.489 -3.072) 11.918 6.795 ( -4.201 3.888 -7.127) 9.141 7.043 ( -3.656 5.128 4.836) 7.940 7.087 ( 8.697 4.256 -2.709) 10.055 7.487 ( 3.131 -3.823 -1.484) 5.159 7.714 ( -0.416 -3.896 -7.988) 8.898 7.846 ( -3.069 -3.547 3.048) 5.594 7.952 ( 0.348 -5.605 0.569) 5.644 8.146 ( -0.528 -6.968 -0.944) 7.052 8.349 ( 0.690 -8.288 -6.466) 10.535 8.463 ( 5.206 3.417 -5.016) 7.996 8.554 ( 5.009 7.533 -5.285) 10.477 8.849 ( 6.574 2.621 -9.083) 11.514 8.927 ( 10.431 -3.425 -5.838) 12.435 9.308 ( -0.721 16.387 -1.547) 16.476 9.329 ( 0.597 -7.745 3.453) 8.500 9.581 ( 5.176 3.640 -2.237) 6.712 9.616 ( -2.078 -1.786 -5.746) 6.366 9.735 ( 3.610 4.982 3.721) 7.191 9.847 ( 0.514 0.975 -3.639) 3.803 10.192 ( 1.182 10.535 0.012) 10.601 10.459 ( 4.335 2.425 -3.243) 5.932 10.509 ( 1.691 6.328 -5.843) 8.777 10.589 ( -1.666 -1.919 -2.685) 3.698 11.038 ( 9.178 -4.834 0.198) 10.375 11.206 ( 11.368 -8.652 1.569) 14.371 11.495 ( 0.488 3.795 -2.044) 4.338 11.570 ( 5.048 6.547 1.947) 8.493 11.729 ( 1.231 1.303 -0.551) 1.875 11.836 ( -4.292 -11.837 5.915) 13.911 11.966 ( 0.221 -2.275 -4.150) 4.738 12.147 ( 2.124 -1.210 -2.950) 3.831 12.174 ( -0.965 -5.116 0.209) 5.210 12.430 ( -1.921 0.146 -4.835) 5.205 12.529 ( -9.575 0.678 5.080) 10.860 12.689 ( -3.022 -0.179 3.451) 4.591 12.849 ( 0.071 3.990 3.933) 5.603 12.913 ( 1.015 -5.477 0.912) 5.644 13.112 ( -3.899 -2.113 2.690) 5.187 13.406 ( -2.747 -1.578 9.942) 10.434 13.505 ( -4.030 1.353 5.385) 6.861 13.705 ( -0.791 -3.578 -6.875) 7.790 13.914 ( -1.224 -0.971 -0.244) 1.582 14.156 ( 7.452 -0.455 7.909) 10.876 14.252 ( 3.225 4.688 1.213) 5.818 14.628 ( 18.463 1.789 -6.439) 19.636 14.723 ( 11.030 3.198 -0.092) 11.485 14.866 ( 6.112 -4.106 -12.114) 14.176 15.054 ( -4.271 2.221 11.387) 12.363 15.207 ( -7.828 -2.386 -1.200) 8.271 16.142 ( -2.524 2.701 2.654) 4.551 16.267 ( 0.676 3.417 -4.012) 5.313 16.619 ( -12.044 -1.577 -4.330) 12.895 16.934 ( 6.855 -5.859 19.046) 21.073 17.197 ( -1.106 1.300 4.660) 4.963 17.433 ( -2.714 -2.646 -3.471) 5.140 17.624 ( -3.061 2.434 1.152) 4.077 17.772 ( -3.153 -2.072 -4.836) 6.133 17.930 ( 1.594 0.047 4.099) 4.399 17.946 ( -1.371 -1.000 -0.461) 1.758 18.132 ( -5.441 4.405 4.741) 8.455 18.430 ( -0.221 -4.132 7.121) 8.236 18.650 ( -5.767 1.100 -11.250) 12.689 18.920 ( 4.095 -3.378 -5.156) 7.400 19.211 ( -1.444 2.321 -6.942) 7.461 19.264 ( 0.077 2.554 -7.087) 7.533 22.371 ( -0.308 0.012 1.947) 1.971 22.463 ( 1.120 3.158 1.790) 3.799 22.640 ( 3.808 -3.022 4.426) 6.575 22.765 ( 2.602 -2.695 2.904) 4.740 26.749 ( -5.169 3.388 -0.514) 6.201 27.073 ( 0.847 -3.558 -4.968) 6.169 27.562 ( -13.268 -2.385 7.371) 15.365 28.069 ( -14.183 -21.505 -15.763) 30.201 29.960 ( 0.547 0.882 -3.066) 3.237 30.041 ( 1.716 0.183 -2.812) 3.300 30.155 ( -3.663 0.004 -0.606) 3.713 30.225 ( -2.480 0.399 -1.890) 3.143 31.400 ( 0.443 2.100 0.628) 2.237 31.531 ( 3.584 -0.634 2.235) 4.271 31.760 ( -1.356 -1.025 -1.158) 2.057 31.795 ( -0.828 -4.999 1.987) 5.443 32.102 ( -5.064 12.281 1.627) 13.383 32.278 ( -8.868 14.517 -1.116) 17.048 32.754 ( 4.917 0.981 -3.541) 6.139 32.948 ( 3.824 2.678 -0.200) 4.673 33.043 ( 0.257 0.538 1.006) 1.169 33.170 ( -2.134 0.934 -8.460) 8.775 33.269 ( 1.282 -2.696 -1.291) 3.253 33.297 ( -0.632 0.472 -3.207) 3.302 34.227 ( -10.073 6.668 -4.366) 12.845 34.843 ( 3.257 1.191 4.022) 5.311 34.946 ( 3.918 -6.181 -10.675) 12.943 35.075 ( 11.228 -3.783 9.175) 14.985 36.355 ( 5.198 1.865 21.252) 21.957 36.715 ( 5.374 -5.383 -3.860) 8.530 37.573 ( 2.865 -1.370 11.080) 11.526 37.659 ( 0.911 -2.055 3.476) 4.139======================= Grid point 83 (47/66) =======================q-point: (-0.14 0.20 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 106Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.497 ( -1.261 20.280 26.741) 33.585 1.939 ( -1.795 18.022 22.829) 29.141 2.167 ( -0.638 19.075 16.631) 25.315 2.654 ( -2.066 -0.875 -0.549) 2.310 2.725 ( -10.576 13.470 26.359) 31.434 2.813 ( -9.484 2.732 -3.764) 10.563 2.988 ( -7.253 2.218 2.086) 7.866 3.056 ( 0.561 -1.005 1.342) 1.768 3.106 ( -1.881 -0.593 -1.263) 2.342 3.191 ( -3.344 -4.389 1.017) 5.611 3.273 ( -5.684 2.566 6.801) 9.227 3.310 ( -7.151 6.259 9.422) 13.382 3.399 ( -9.608 -1.661 8.927) 13.220 3.574 ( -7.224 8.085 8.007) 13.478 3.594 ( -11.130 0.352 11.957) 16.339 3.705 ( -4.994 6.434 1.880) 8.359 3.806 ( -9.418 -0.038 1.215) 9.496 3.947 ( -7.240 1.518 -4.241) 8.527 4.056 ( -5.528 4.028 -7.737) 10.327 4.155 ( -2.817 1.521 -3.308) 4.604 4.300 ( -5.002 3.157 -0.881) 5.980 4.344 ( -3.448 -3.989 0.136) 5.274 4.465 ( 0.932 1.891 -2.994) 3.662 4.616 ( -2.423 2.075 -6.522) 7.260 4.946 ( -4.701 6.070 -8.345) 11.340 5.212 ( 2.554 -7.107 -5.832) 9.542 5.358 ( 7.559 -7.830 0.852) 10.916 5.520 ( 4.888 -20.101 2.221) 20.806 5.788 ( -1.583 -9.428 3.076) 10.043 5.934 ( -3.101 -7.567 0.794) 8.216 6.039 ( 0.942 3.420 0.556) 3.591 6.147 ( -3.512 2.628 2.223) 4.918 6.276 ( -4.760 2.730 1.831) 5.785 6.465 ( 7.470 -2.815 -4.992) 9.416 6.719 ( 3.411 -2.390 -6.427) 7.658 6.820 ( -1.481 -11.891 -6.194) 13.489 6.928 ( -5.322 9.519 9.107) 14.208 7.234 ( 8.572 5.036 3.366) 10.496 7.541 ( 3.439 -8.480 -5.735) 10.800 7.698 ( 1.998 -2.826 -4.857) 5.964 7.792 ( -3.774 -15.696 1.443) 16.208 7.971 ( 1.174 -3.008 2.446) 4.051 8.145 ( 0.631 -3.496 -2.220) 4.189 8.274 ( -3.097 -7.530 -8.834) 12.013 8.540 ( 2.126 4.752 -0.478) 5.228 8.603 ( 4.296 9.697 -4.563) 11.546 8.945 ( 7.514 6.587 -9.947) 14.100 9.046 ( 6.799 -2.650 -9.440) 11.932 9.255 ( -0.470 11.988 -4.798) 12.921 9.425 ( 1.575 -2.598 3.695) 4.784 9.491 ( -2.537 2.564 -4.301) 5.613 9.634 ( 1.428 3.465 0.137) 3.751 9.717 ( -2.014 6.489 2.995) 7.425 9.973 ( 4.893 7.564 -4.041) 9.874 10.118 ( -1.389 0.706 -7.896) 8.048 10.384 ( -6.161 2.669 -5.803) 8.875 10.625 ( 12.648 4.350 2.229) 13.559 10.762 ( 11.925 5.313 1.988) 13.206 11.154 ( 0.947 -8.370 0.512) 8.439 11.346 ( 2.635 -11.293 -1.622) 11.709 11.507 ( 1.095 1.296 2.108) 2.706 11.633 ( 3.404 -0.619 -1.327) 3.706 11.811 ( -1.276 -6.429 7.982) 10.328 11.855 ( 7.132 6.274 2.790) 9.900 11.975 ( 1.654 1.390 -0.786) 2.299 12.078 ( -2.063 -4.978 -2.842) 6.092 12.239 ( 1.236 2.308 -0.442) 2.656 12.367 ( -3.925 -2.311 2.898) 5.399 12.417 ( -2.685 4.685 0.928) 5.479 12.654 ( -1.791 -4.029 0.088) 4.410 12.823 ( -3.019 0.438 0.796) 3.153 12.928 ( -0.322 -4.862 0.242) 4.879 13.072 ( -2.021 1.554 3.070) 3.990 13.337 ( -6.806 5.354 5.525) 10.272 13.446 ( -3.750 3.443 1.188) 5.228 13.639 ( 1.784 1.389 -15.564) 15.727 13.954 ( 3.562 0.897 2.050) 4.206 14.268 ( 3.531 5.012 0.160) 6.133 14.414 ( 7.665 -8.592 2.805) 11.851 14.729 ( -6.709 0.360 3.302) 7.486 14.947 ( 11.006 -4.062 -12.235) 16.951 15.010 ( 3.387 -0.582 -5.368) 6.374 15.043 ( 9.488 1.741 2.096) 9.871 15.138 ( 2.194 6.957 3.304) 8.008 16.090 ( -3.570 0.820 0.553) 3.705 16.300 ( 4.044 -0.589 -1.445) 4.335 16.372 ( -7.647 1.122 -7.604) 10.843 17.008 ( -18.727 -12.064 -8.042) 23.684 17.279 ( -0.941 5.513 1.644) 5.830 17.316 ( 4.432 -5.720 17.722) 19.142 17.546 ( -6.221 -0.625 5.484) 8.317 17.595 ( -8.260 -0.535 -3.507) 8.990 17.932 ( -1.140 0.735 3.366) 3.629 17.981 ( -0.050 1.843 6.020) 6.296 18.089 ( -0.741 0.481 8.053) 8.101 18.388 ( -9.276 -6.410 7.761) 13.688 18.575 ( 3.313 4.775 -6.014) 8.363 18.967 ( 4.662 -2.328 -7.034) 8.754 19.159 ( 1.056 -0.957 -7.117) 7.259 19.220 ( -0.492 -0.657 -5.757) 5.815 22.405 ( 3.522 2.321 1.106) 4.361 22.467 ( -2.356 4.252 3.062) 5.745 22.770 ( 6.135 -2.960 3.003) 7.444 22.824 ( 1.021 -2.805 3.530) 4.623 26.684 ( -0.743 3.970 0.310) 4.051 27.070 ( 1.798 -4.679 -2.841) 5.761 27.319 ( -14.067 -3.018 3.914) 14.910 27.478 ( -32.991 -12.128 -14.007) 37.837 29.969 ( 2.121 0.794 -2.525) 3.391 30.040 ( -0.893 1.802 -1.810) 2.706 30.098 ( -0.499 -1.301 -1.701) 2.199 30.161 ( -2.676 0.657 -1.851) 3.320 31.449 ( 3.359 1.068 2.480) 4.309 31.586 ( 0.189 -3.757 2.708) 4.635 31.734 ( -0.654 0.601 -1.365) 1.628 31.775 ( -1.574 -2.642 0.123) 3.078 32.043 ( -1.727 13.292 1.420) 13.478 32.136 ( -5.082 12.472 0.162) 13.469 32.797 ( 1.600 -3.818 -2.350) 4.761 32.892 ( -5.619 -4.570 -2.591) 7.692 33.067 ( -0.224 4.876 -4.477) 6.623 33.099 ( 1.687 1.660 -0.160) 2.372 33.261 ( -1.428 -0.098 -2.446) 2.834 33.300 ( 1.037 -3.861 -2.045) 4.491 34.124 ( -0.551 11.225 3.586) 11.797 34.730 ( -5.442 -2.670 -8.544) 10.475 35.123 ( 9.108 -0.130 1.215) 9.190 35.309 ( 8.932 -2.949 -1.613) 9.544 36.631 ( 7.544 -1.171 18.284) 19.814 36.838 ( 7.890 -3.562 -0.791) 8.693 37.702 ( 0.826 -2.466 5.725) 6.288 37.753 ( 8.499 -7.745 8.402) 14.241======================= Grid point 84 (48/66) =======================q-point: ( 0.00 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 106Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.182 ( 9.676 21.835 15.996) 28.745 2.435 ( 3.329 11.274 21.701) 24.680 2.562 ( 5.891 -10.921 5.980) 13.774 2.614 ( 0.837 1.035 20.499) 20.542 2.750 ( -2.000 7.038 -4.543) 8.613 2.824 ( -5.439 -0.467 -1.961) 5.801 2.909 ( -3.016 2.173 6.445) 7.440 3.037 ( -1.206 -6.593 9.325) 11.484 3.109 ( 2.351 2.370 5.981) 6.850 3.155 ( -2.087 4.585 2.104) 5.460 3.180 ( -4.850 -2.357 12.713) 13.810 3.252 ( -3.073 -3.540 1.165) 4.830 3.501 ( -5.477 5.706 8.253) 11.432 3.550 ( -1.950 0.509 10.993) 11.176 3.722 ( 1.272 3.347 9.557) 10.206 3.750 ( 0.830 2.010 8.422) 8.698 3.905 ( -0.417 8.924 -10.649) 13.900 3.943 ( 0.788 7.803 -3.296) 8.507 4.009 ( 2.025 -2.133 -10.415) 10.822 4.074 ( -0.820 -3.573 -11.419) 11.993 4.299 ( -5.249 21.697 8.913) 24.036 4.474 ( 0.461 9.108 2.221) 9.386 4.559 ( 2.859 -1.211 -2.465) 3.965 4.672 ( 4.824 14.883 -7.892) 17.523 4.917 ( -5.709 -19.987 10.121) 23.119 5.004 ( 3.341 -17.947 -13.264) 22.565 5.171 ( -3.557 16.079 -2.510) 16.658 5.441 ( 9.402 -3.216 1.295) 10.021 5.608 ( -5.810 -5.914 3.745) 9.097 5.698 ( -5.249 -15.364 3.157) 16.540 5.803 ( -8.287 -1.834 4.072) 9.414 5.945 ( -2.109 -12.426 1.704) 12.718 6.377 ( 3.489 4.636 -6.938) 9.045 6.456 ( -0.500 4.278 -12.948) 13.646 6.491 ( 1.395 -7.430 -11.434) 13.707 6.630 ( 3.743 -10.784 -9.955) 15.146 7.191 ( -3.020 11.846 16.607) 20.621 7.345 ( 1.125 -3.966 -3.794) 5.603 7.366 ( 1.315 -6.979 -2.956) 7.693 7.430 ( -1.325 -9.865 12.907) 16.299 7.725 ( 1.562 4.364 -5.991) 7.575 7.875 ( -3.821 -8.880 -2.849) 10.079 8.029 ( 0.419 4.015 2.846) 4.939 8.152 ( 2.285 -6.111 -0.269) 6.530 8.658 ( -0.974 7.525 -5.426) 9.329 8.821 ( -1.271 -6.598 -4.358) 8.009 8.889 ( 1.910 9.297 -5.505) 10.973 9.096 ( 0.509 -6.553 -9.672) 11.694 9.387 ( 8.345 2.752 -7.166) 11.338 9.416 ( 5.225 0.161 -6.992) 8.730 9.694 ( 3.871 7.309 3.132) 8.844 9.783 ( 5.560 1.635 0.774) 5.847 10.002 ( 1.644 14.189 -3.459) 14.697 10.113 ( -4.566 7.596 -5.628) 10.498 10.195 ( 6.408 1.283 -7.017) 9.589 10.242 ( -4.390 -1.291 -8.803) 9.922 10.919 ( 0.718 3.643 3.384) 5.024 10.968 ( -0.092 -0.212 2.332) 2.344 11.005 ( -0.196 -3.331 1.446) 3.636 11.083 ( -0.404 -10.956 1.472) 11.061 11.575 ( 2.230 1.171 5.203) 5.781 11.621 ( 2.544 -3.420 5.092) 6.641 11.853 ( 1.753 1.523 2.952) 3.756 11.891 ( -3.175 -0.897 -1.806) 3.761 11.958 ( -0.922 1.684 4.926) 5.287 12.072 ( 1.844 -6.525 3.684) 7.717 12.251 ( -2.157 1.844 -4.655) 5.452 12.336 ( -4.633 6.748 0.590) 8.207 12.391 ( 0.922 -6.414 -12.075) 13.704 12.512 ( -3.416 -5.480 3.701) 7.443 12.695 ( -1.461 1.253 -4.462) 4.859 12.793 ( -0.820 -6.417 -1.648) 6.676 13.193 ( -2.840 6.911 9.090) 11.767 13.276 ( -6.057 -0.562 10.391) 12.040 13.652 ( 6.061 8.057 -8.009) 12.876 13.702 ( 6.161 2.494 -11.973) 13.694 14.153 ( 1.561 7.373 3.832) 8.455 14.321 ( -0.663 -7.879 6.321) 10.123 14.424 ( -0.017 5.880 -5.566) 8.097 14.523 ( -9.784 -2.819 1.146) 10.246 14.798 ( -12.682 1.790 7.125) 14.656 14.905 ( -3.770 -7.779 0.639) 8.668 15.347 ( 5.348 5.606 -10.501) 13.050 15.380 ( 9.753 1.371 -7.247) 12.228 16.089 ( -0.210 4.740 0.334) 4.757 16.239 ( -1.128 -7.734 3.080) 8.401 16.369 ( -0.714 0.344 -6.806) 6.852 16.397 ( 1.012 -1.836 -3.020) 3.676 17.322 ( -9.644 0.783 6.645) 11.738 17.349 ( -8.800 -2.310 9.344) 13.042 17.444 ( 6.745 4.020 2.945) 8.386 17.560 ( 8.480 -6.779 5.811) 12.314 17.972 ( -2.976 3.772 7.559) 8.957 18.058 ( -7.478 0.029 8.610) 11.404 18.078 ( 1.344 -0.983 5.222) 5.481 18.145 ( -4.942 -3.444 6.666) 8.985 18.805 ( 6.937 8.260 -4.018) 11.511 18.966 ( 6.415 -5.819 -6.380) 10.757 19.080 ( 0.169 -0.204 -9.393) 9.397 19.127 ( 1.502 -3.435 -9.042) 9.788 22.508 ( -4.033 4.779 2.100) 6.597 22.558 ( 1.795 0.762 0.168) 1.957 22.770 ( -1.494 -1.311 3.730) 4.227 22.804 ( 2.144 -3.588 2.191) 4.719 26.860 ( 5.362 6.202 1.900) 8.416 26.909 ( -9.197 3.682 0.027) 9.907 27.009 ( -4.844 -5.262 1.680) 7.347 27.046 ( 1.576 -6.610 0.128) 6.797 30.033 ( 1.181 2.375 -1.805) 3.209 30.049 ( 0.468 2.072 -2.422) 3.221 30.081 ( 2.667 -2.025 -1.751) 3.779 30.092 ( -1.431 -1.751 -2.226) 3.173 31.526 ( 1.055 -0.111 3.439) 3.598 31.534 ( -1.090 -1.034 3.019) 3.372 31.725 ( -0.322 1.316 -1.093) 1.740 31.749 ( 0.314 -0.773 -1.672) 1.868 32.307 ( 0.070 11.224 0.312) 11.229 32.330 ( -0.319 10.694 -1.112) 10.756 32.627 ( -2.966 -7.227 1.384) 7.934 32.673 ( 1.906 -9.661 -0.399) 9.855 33.093 ( -2.960 3.028 -2.847) 5.103 33.137 ( -0.483 -0.376 -4.107) 4.153 33.198 ( -1.331 -0.041 -1.540) 2.036 33.228 ( 1.184 -2.660 -2.636) 3.928 34.383 ( -0.192 8.391 -0.366) 8.402 34.517 ( -3.237 -4.483 -5.715) 7.952 35.300 ( 5.699 2.372 -2.165) 6.541 35.356 ( 5.005 -2.791 -5.208) 7.743 36.781 ( -0.615 2.594 9.862) 10.216 36.872 ( 2.106 -5.503 5.233) 7.880 37.683 ( -1.442 -1.371 7.099) 7.372 37.715 ( -0.039 -4.934 6.740) 8.353======================= Grid point 85 (49/66) =======================q-point: ( 0.14 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 106Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.453 ( 5.895 16.987 14.838) 23.312 2.604 ( 5.957 6.715 10.737) 13.995 2.690 ( -0.251 -0.502 1.872) 1.955 2.749 ( 0.798 2.717 12.510) 12.827 2.780 ( 3.433 -2.151 -0.677) 4.107 2.825 ( 5.289 -2.025 3.430) 6.622 2.945 ( 1.757 3.970 4.116) 5.982 3.039 ( -2.477 -1.794 1.989) 3.649 3.114 ( -0.937 3.166 5.512) 6.425 3.170 ( -2.254 -1.552 8.721) 9.140 3.243 ( 0.791 -3.275 11.069) 11.570 3.257 ( 0.376 -5.181 3.403) 6.210 3.501 ( 1.953 5.648 4.870) 7.709 3.607 ( 2.411 -3.446 3.588) 5.528 3.779 ( 3.106 6.814 -1.100) 7.569 3.886 ( 8.385 1.438 4.896) 9.815 3.917 ( 6.459 6.803 -5.636) 10.944 3.976 ( 3.125 1.085 -1.886) 3.808 4.025 ( 6.477 0.144 2.987) 7.134 4.092 ( 6.799 -5.596 -6.441) 10.910 4.244 ( -3.209 16.537 4.665) 17.479 4.482 ( 2.165 6.627 -3.501) 7.801 4.661 ( 6.292 0.696 0.542) 6.353 4.687 ( -4.055 3.993 -6.357) 8.532 4.802 ( -0.590 0.254 9.542) 9.563 5.012 ( 4.536 -5.558 -8.111) 10.829 5.052 ( -5.211 9.178 1.096) 10.611 5.448 ( -11.392 -10.392 -1.337) 15.478 5.586 ( 2.544 -1.511 -3.272) 4.411 5.669 ( 6.655 -3.964 7.447) 10.745 5.883 ( 3.749 -5.180 -3.111) 7.111 5.999 ( 8.163 -10.332 9.238) 16.084 6.319 ( -1.691 5.589 -11.422) 12.828 6.420 ( 4.675 -4.843 -12.549) 14.241 6.507 ( 2.526 0.668 -3.287) 4.199 6.672 ( 4.088 -12.297 -2.487) 13.195 7.256 ( -0.348 4.970 15.352) 16.140 7.304 ( -1.546 0.557 -2.509) 3.000 7.383 ( -0.889 -6.456 4.110) 7.705 7.496 ( -1.659 -8.828 12.995) 15.797 7.709 ( 0.408 0.789 -7.236) 7.290 7.788 ( -0.388 -5.464 -5.394) 7.688 8.060 ( 0.685 4.894 2.555) 5.563 8.182 ( 0.680 -5.027 -2.417) 5.619 8.599 ( 0.125 6.599 -10.396) 12.314 8.751 ( -1.621 -7.797 -9.457) 12.363 8.854 ( -2.784 8.458 -1.723) 9.069 9.004 ( -3.164 -4.284 -5.802) 7.876 9.485 ( 5.364 4.525 -7.236) 10.080 9.528 ( 8.938 0.510 -8.392) 12.271 9.763 ( 1.318 10.306 0.786) 10.419 9.864 ( 1.646 5.507 -9.142) 10.799 9.976 ( -0.732 4.536 -1.428) 4.812 10.045 ( 1.165 3.956 -4.187) 5.877 10.102 ( -3.230 6.432 -7.089) 10.102 10.289 ( 5.086 -4.837 -1.819) 7.250 10.781 ( -13.337 5.945 2.632) 14.837 10.931 ( -4.431 3.275 -0.532) 5.536 10.971 ( -6.018 -10.204 2.688) 12.148 11.059 ( -2.512 -9.637 -1.341) 10.048 11.656 ( 1.232 -0.003 1.662) 2.069 11.684 ( 4.066 -2.580 0.604) 4.853 11.758 ( -7.613 4.881 0.301) 9.048 11.851 ( -3.337 -3.452 3.561) 5.978 12.012 ( -1.074 0.867 9.048) 9.153 12.118 ( -0.514 -7.686 -1.502) 7.848 12.190 ( 0.268 3.253 -2.215) 3.945 12.292 ( -3.067 -5.116 -4.234) 7.315 12.331 ( 1.833 3.187 1.098) 3.837 12.486 ( 0.086 -9.895 4.118) 10.718 12.702 ( 3.281 3.626 0.245) 4.896 12.799 ( 1.853 -5.932 0.130) 6.216 13.175 ( -3.347 6.119 6.206) 9.336 13.218 ( -5.587 1.769 9.268) 10.965 13.671 ( -0.291 8.743 -8.006) 11.858 13.755 ( 4.451 1.257 -8.200) 9.414 14.065 ( -13.136 1.719 4.223) 13.905 14.148 ( -17.821 -5.738 5.963) 19.648 14.375 ( -3.532 4.346 4.412) 7.129 14.425 ( 0.089 0.612 -2.348) 2.428 14.598 ( -8.271 7.886 4.626) 12.329 14.796 ( -4.747 -7.370 -2.082) 9.010 15.362 ( 2.398 5.707 -4.713) 7.781 15.439 ( 2.394 -1.348 -3.643) 4.562 16.175 ( 8.709 1.970 -4.377) 9.944 16.255 ( 4.016 -4.718 -3.174) 6.961 16.487 ( 11.474 4.547 -2.458) 12.584 16.578 ( 12.414 -3.954 1.452) 13.109 17.201 ( -5.435 0.283 6.411) 8.410 17.249 ( -6.939 -4.378 8.544) 11.846 17.619 ( 8.136 6.553 1.087) 10.503 17.757 ( 6.707 -6.033 -1.457) 9.138 17.943 ( -7.536 2.427 11.184) 13.702 17.976 ( -1.737 -0.880 10.505) 10.684 18.095 ( -2.027 0.391 4.791) 5.217 18.142 ( -0.478 -4.033 6.306) 7.501 18.893 ( 3.907 4.615 -6.348) 8.767 19.002 ( 1.054 -5.521 -7.385) 9.281 19.068 ( 6.108 3.953 -10.307) 12.616 19.163 ( 6.696 -4.448 -7.572) 11.043 22.428 ( -4.739 6.047 2.197) 7.990 22.542 ( -3.205 -3.784 1.372) 5.145 22.735 ( -4.301 1.527 3.168) 5.556 22.803 ( -3.524 -3.857 2.483) 5.784 26.820 ( 1.956 5.016 -1.424) 5.569 26.926 ( -0.126 -4.775 -0.706) 4.829 27.095 ( 12.871 5.779 5.177) 15.029 27.242 ( 13.143 -7.953 2.526) 15.568 30.010 ( -0.161 2.186 -2.804) 3.559 30.054 ( -0.503 -1.494 -2.645) 3.079 30.105 ( 4.222 1.340 -1.657) 4.729 30.139 ( 3.753 -1.421 -1.312) 4.222 31.519 ( -1.979 1.372 2.491) 3.465 31.562 ( 0.638 -2.479 3.156) 4.064 31.705 ( -1.116 1.754 -1.727) 2.703 31.740 ( -0.205 -1.558 -1.154) 1.950 32.321 ( 1.907 9.390 -0.457) 9.592 32.375 ( 4.405 9.351 -0.591) 10.354 32.591 ( -0.898 -0.910 0.736) 1.475 32.751 ( 5.463 -10.187 0.105) 11.560 33.043 ( -1.419 1.777 0.172) 2.281 33.100 ( -1.339 -3.446 -0.662) 3.755 33.176 ( -0.346 2.972 -0.654) 3.063 33.235 ( 1.046 -2.752 -1.026) 3.118 34.369 ( -2.138 3.551 1.083) 4.284 34.434 ( -2.356 -2.129 -2.733) 4.190 35.346 ( 1.665 1.120 -5.910) 6.241 35.369 ( 0.926 -1.036 -9.089) 9.195 36.732 ( -8.604 4.500 6.390) 11.624 36.861 ( -5.419 -7.438 3.163) 9.731 37.670 ( -3.903 -0.245 6.443) 7.537 37.712 ( -3.756 -3.927 5.426) 7.679======================= Grid point 86 (50/66) =======================q-point: ( 0.29 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 106Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.551 ( -4.534 4.547 1.402) 6.572 2.612 ( -7.261 -1.504 3.687) 8.281 2.745 ( 3.727 4.704 -0.148) 6.003 2.763 ( -2.713 8.576 6.690) 11.210 2.821 ( 1.010 -0.865 -4.260) 4.463 2.899 ( 0.318 -4.437 0.400) 4.467 2.941 ( -3.493 2.127 -0.323) 4.103 3.012 ( 0.745 -0.497 2.194) 2.369 3.134 ( 1.632 1.144 3.044) 3.639 3.155 ( -2.542 -0.884 3.102) 4.107 3.266 ( -1.088 -1.878 6.804) 7.142 3.304 ( -2.814 -7.192 10.864) 13.329 3.591 ( 1.385 5.213 10.013) 11.374 3.692 ( 4.492 -4.869 5.064) 8.339 3.823 ( -1.977 8.912 7.212) 11.633 3.929 ( -2.364 4.859 -6.028) 8.095 4.002 ( -0.920 4.660 2.514) 5.374 4.075 ( 2.334 -3.291 -0.144) 4.038 4.083 ( 3.004 -1.017 4.264) 5.315 4.289 ( 0.266 -6.615 10.696) 12.579 4.359 ( 1.039 -2.975 0.996) 3.305 4.508 ( 15.716 0.143 -5.087) 16.520 4.671 ( 11.821 15.521 -5.050) 20.153 4.804 ( 5.747 -6.563 2.578) 9.096 5.027 ( 12.190 6.898 1.096) 14.050 5.075 ( 13.570 6.910 2.357) 15.409 5.170 ( 13.539 0.366 -0.250) 13.546 5.341 ( 5.079 -9.423 -6.846) 12.707 5.596 ( 1.882 4.500 -6.927) 8.472 5.730 ( -0.493 -8.165 -2.087) 8.442 6.003 ( 7.458 11.508 2.372) 13.917 6.179 ( 1.742 -1.621 8.287) 8.622 6.294 ( 5.199 -0.159 -5.872) 7.845 6.424 ( 2.912 -9.809 -10.047) 14.339 6.531 ( 0.697 6.894 -0.188) 6.932 6.713 ( -1.247 -7.577 4.324) 8.813 7.243 ( -3.892 7.092 -2.016) 8.338 7.357 ( 1.949 -0.192 10.285) 10.470 7.412 ( 0.983 -6.567 11.802) 13.542 7.504 ( -1.511 -11.861 1.367) 12.035 7.679 ( 1.304 4.145 -2.451) 4.989 7.804 ( 1.188 -7.648 1.471) 7.878 8.056 ( -2.755 4.217 -1.154) 5.167 8.137 ( -1.870 -2.506 -4.212) 5.246 8.558 ( 2.296 3.298 -10.822) 11.543 8.653 ( -1.449 -5.186 -12.143) 13.284 8.776 ( -3.812 6.200 -2.955) 7.855 8.922 ( -1.874 -6.403 -7.383) 9.950 9.501 ( -1.830 6.634 -2.627) 7.366 9.561 ( -3.617 2.247 -2.246) 4.814 9.721 ( -3.048 10.578 -10.515) 15.223 9.808 ( 3.811 8.286 -8.401) 12.400 9.877 ( -5.363 -2.619 -10.959) 12.479 10.064 ( 2.234 -7.246 -0.953) 7.642 10.164 ( 7.771 10.779 -0.140) 13.290 10.365 ( 2.983 -4.101 1.370) 5.253 10.548 ( -9.098 13.492 3.362) 16.617 10.735 ( -12.753 5.494 -3.161) 14.241 10.893 ( -3.391 -11.935 3.027) 12.772 10.981 ( -4.441 -11.870 -2.673) 12.952 11.610 ( -2.935 2.242 -1.289) 3.912 11.639 ( -3.388 5.031 0.552) 6.091 11.768 ( -1.558 -3.380 0.775) 3.801 11.827 ( 0.516 -6.474 1.651) 6.701 12.002 ( -1.622 -2.035 3.195) 4.121 12.077 ( -0.222 -8.510 0.235) 8.516 12.137 ( -7.547 1.046 -6.030) 9.717 12.211 ( 1.270 -4.108 -5.095) 6.667 12.445 ( 5.785 4.665 7.672) 10.681 12.591 ( 3.671 -6.929 7.987) 11.193 12.789 ( 3.093 2.655 5.111) 6.537 12.865 ( 3.132 -5.712 4.780) 8.080 13.146 ( -3.075 5.773 5.322) 8.433 13.184 ( -2.837 0.959 9.337) 9.805 13.550 ( -8.801 5.075 -0.189) 10.161 13.647 ( -12.083 -4.333 1.918) 12.979 13.905 ( -0.634 3.356 0.277) 3.426 13.994 ( -0.752 -5.157 0.637) 5.250 14.312 ( -5.660 3.229 6.606) 9.279 14.384 ( -5.437 -3.449 4.294) 7.739 14.573 ( 4.559 11.921 -5.420) 13.866 14.730 ( -0.134 -2.400 -5.458) 5.963 15.378 ( 0.599 4.239 -2.454) 4.934 15.449 ( 0.167 -1.996 -2.844) 3.479 16.305 ( 3.139 1.117 -5.217) 6.190 16.327 ( 7.694 -1.076 -1.405) 7.895 16.626 ( 3.110 7.249 -2.003) 8.138 16.795 ( 5.894 -7.909 5.421) 11.255 17.180 ( -1.246 0.508 5.939) 6.090 17.230 ( 0.905 -3.836 7.753) 8.697 17.696 ( -0.445 4.691 0.238) 4.718 17.778 ( -1.769 -2.798 0.309) 3.324 17.929 ( 1.335 5.936 3.879) 7.215 18.020 ( -0.439 -1.598 1.791) 2.440 18.131 ( 2.588 -1.435 7.607) 8.162 18.172 ( -0.604 -4.747 7.489) 8.887 18.875 ( 1.010 2.456 -11.610) 11.910 18.963 ( 0.378 -5.461 -8.799) 10.363 19.177 ( 8.702 5.249 -6.362) 11.990 19.259 ( 6.758 -2.342 -6.079) 9.386 22.374 ( -2.022 5.369 2.708) 6.344 22.485 ( -3.180 -4.207 2.463) 5.820 22.650 ( -5.654 1.561 2.772) 6.488 22.717 ( -6.330 -3.725 2.965) 7.921 26.901 ( 6.518 2.168 -3.990) 7.943 26.949 ( 2.530 -2.254 -2.103) 3.987 27.398 ( 12.889 4.199 7.823) 15.651 27.534 ( 13.865 -8.566 3.615) 16.694 29.998 ( 0.745 1.673 -3.480) 3.932 30.033 ( 0.009 -1.332 -3.213) 3.478 30.181 ( 4.028 1.015 -0.969) 4.265 30.204 ( 3.318 -0.876 -0.901) 3.548 31.491 ( -1.994 4.305 1.570) 4.997 31.589 ( 0.372 -4.954 2.179) 5.425 31.660 ( -2.201 3.047 -1.515) 4.052 31.732 ( -0.210 -3.906 -0.340) 3.927 32.376 ( 3.875 7.189 -0.461) 8.180 32.448 ( 2.132 2.019 -0.101) 2.939 32.637 ( 6.087 11.587 1.593) 13.185 32.870 ( 5.958 -7.022 0.763) 9.241 33.031 ( -0.338 0.727 0.679) 1.051 33.087 ( 0.002 -5.248 1.077) 5.357 33.173 ( -0.328 5.217 0.780) 5.285 33.263 ( 1.778 -3.315 0.531) 3.799 34.317 ( -2.262 2.406 -0.045) 3.303 34.399 ( -1.687 -4.564 2.463) 5.454 35.277 ( -3.283 1.205 -12.328) 12.814 35.306 ( -1.832 -1.261 -9.175) 9.441 36.565 ( -10.900 6.199 4.778) 13.419 36.730 ( -8.405 -9.306 1.103) 12.589 37.617 ( -5.043 0.974 5.697) 7.671 37.655 ( -4.433 -2.414 4.146) 6.532======================= Grid point 87 (51/66) =======================q-point: (-0.57 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 106Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.257 ( -13.117 9.559 -16.416) 23.085 2.491 ( -5.692 -7.042 -20.267) 22.198 2.724 ( -2.298 3.839 2.922) 5.344 2.780 ( -2.464 -0.261 7.127) 7.546 2.809 ( -2.236 3.833 8.028) 9.172 2.883 ( 1.083 2.216 2.223) 3.320 2.945 ( -0.688 -2.651 4.731) 5.467 3.043 ( -3.244 -8.190 9.639) 13.058 3.130 ( -0.239 3.383 1.899) 3.887 3.178 ( 1.150 -1.574 0.221) 1.962 3.254 ( -2.740 -0.082 2.696) 3.845 3.282 ( -1.919 -1.649 0.457) 2.571 3.671 ( -3.944 2.534 19.925) 20.469 3.754 ( -3.662 -3.887 8.872) 10.355 3.844 ( 0.453 3.432 11.142) 11.668 3.872 ( -1.590 -0.263 6.188) 6.395 3.986 ( -5.377 -1.863 8.271) 10.039 4.049 ( -2.936 -6.695 -1.372) 7.438 4.129 ( 2.101 2.299 -2.017) 3.711 4.219 ( 0.200 -4.412 -1.927) 4.819 4.505 ( 7.978 3.002 5.777) 10.298 4.634 ( 3.501 -3.517 -0.250) 4.969 4.810 ( -0.108 6.332 -1.607) 6.534 5.028 ( 5.525 -9.418 -9.629) 14.558 5.216 ( 15.508 18.193 1.001) 23.927 5.342 ( -1.913 1.139 5.079) 5.546 5.382 ( 4.909 -1.700 -2.148) 5.621 5.569 ( 15.626 -4.363 -6.022) 17.305 5.680 ( 15.199 2.720 -6.226) 16.648 5.719 ( -0.231 3.168 -2.164) 3.843 6.115 ( 2.535 9.618 1.994) 10.144 6.187 ( -2.735 -1.904 1.903) 3.838 6.361 ( 3.860 0.579 -3.688) 5.370 6.478 ( 6.850 -5.958 -1.771) 9.250 6.517 ( -2.409 10.275 -0.239) 10.556 6.679 ( -2.967 -3.316 4.307) 6.193 7.168 ( -2.151 10.974 1.321) 11.260 7.365 ( -5.240 -1.660 -3.094) 6.307 7.483 ( 0.052 -3.075 9.909) 10.376 7.575 ( 4.236 -9.106 3.672) 10.693 7.745 ( 5.312 1.159 2.781) 6.107 7.828 ( 2.009 -6.111 4.589) 7.901 7.976 ( -2.355 1.916 -1.647) 3.454 8.087 ( -2.155 -6.441 -3.595) 7.684 8.556 ( 0.487 -0.045 -4.299) 4.326 8.578 ( 2.636 -1.268 -10.937) 11.321 8.674 ( -1.187 6.701 -11.362) 13.245 8.819 ( -3.104 -7.258 -10.455) 13.100 9.384 ( -7.761 4.254 1.484) 8.974 9.435 ( -4.870 0.810 -1.420) 5.137 9.636 ( 1.033 7.912 -10.164) 12.922 9.714 ( -5.763 0.809 -4.780) 7.531 9.875 ( 5.567 6.233 -7.249) 11.063 10.057 ( 0.182 -5.988 -5.475) 8.115 10.277 ( 4.289 7.945 -3.290) 9.609 10.462 ( -6.238 -1.894 -5.687) 8.651 10.471 ( 3.950 14.205 6.095) 15.954 10.559 ( 3.915 5.520 2.433) 7.191 10.852 ( -6.272 -10.582 -2.834) 12.623 10.859 ( -2.072 -13.808 0.765) 13.984 11.586 ( -0.574 0.054 1.126) 1.265 11.613 ( 0.419 12.588 2.614) 12.864 11.723 ( -1.691 -3.939 3.276) 5.395 11.833 ( -1.272 0.836 0.514) 1.607 11.931 ( -7.369 -1.275 -3.015) 8.063 12.022 ( 1.933 4.054 -4.705) 6.505 12.114 ( 1.321 -18.506 0.819) 18.571 12.210 ( 3.481 -12.076 -7.576) 14.675 12.577 ( 2.691 1.544 5.243) 6.092 12.654 ( -0.760 -5.259 4.187) 6.765 12.859 ( 0.268 5.204 6.302) 8.178 12.935 ( 0.264 -3.395 5.208) 6.223 13.131 ( -3.025 5.568 10.716) 12.449 13.222 ( -1.727 -3.689 11.129) 11.851 13.405 ( -3.036 2.488 3.085) 4.992 13.513 ( -3.345 -6.740 3.474) 8.288 13.943 ( 2.518 4.737 3.564) 6.440 14.029 ( 0.947 -3.288 1.242) 3.640 14.285 ( 1.333 1.256 3.060) 3.566 14.314 ( -1.827 -1.364 1.690) 2.838 14.633 ( 2.845 8.012 -4.397) 9.572 14.707 ( 1.740 1.073 -6.137) 6.468 15.327 ( -4.302 3.631 -2.880) 6.324 15.403 ( -3.402 -2.974 -2.771) 5.300 16.302 ( -0.150 6.196 -3.510) 7.123 16.430 ( 2.484 -5.631 -3.064) 6.875 16.636 ( 0.206 10.737 2.636) 11.057 16.862 ( -0.830 -10.354 3.684) 11.021 17.215 ( -0.062 3.700 7.284) 8.170 17.311 ( 1.814 -4.918 6.532) 8.375 17.680 ( -0.832 3.502 1.594) 3.937 17.752 ( -1.142 -2.884 1.974) 3.677 17.954 ( -0.159 3.840 -1.373) 4.082 18.004 ( -0.375 -0.502 -3.514) 3.570 18.206 ( -0.325 -1.081 7.625) 7.709 18.227 ( 2.458 -2.583 5.577) 6.619 18.835 ( 1.936 2.327 -10.221) 10.660 18.909 ( -0.830 -4.623 -8.769) 9.948 19.292 ( 6.373 4.000 -6.095) 9.683 19.337 ( 4.748 -0.028 -6.413) 7.979 22.379 ( -0.145 4.111 4.356) 5.992 22.453 ( -2.309 -1.567 3.844) 4.750 22.575 ( -3.064 -0.743 2.008) 3.738 22.621 ( -3.948 -3.667 1.835) 5.692 26.965 ( 0.485 1.142 -2.296) 2.610 26.990 ( 4.133 -1.123 -4.720) 6.373 27.636 ( 5.806 3.048 7.970) 10.321 27.779 ( 8.425 -10.531 2.820) 13.778 29.997 ( 1.319 0.741 -3.674) 3.974 30.014 ( 0.092 -0.693 -3.652) 3.718 30.234 ( 1.417 0.747 -0.245) 1.621 30.249 ( 1.806 -0.659 -0.941) 2.141 31.469 ( -1.044 5.373 1.474) 5.668 31.570 ( -2.458 -1.740 -1.702) 3.459 31.645 ( 0.787 0.010 2.075) 2.219 31.725 ( -0.224 -5.112 -0.202) 5.121 32.431 ( -0.275 5.595 1.947) 5.930 32.490 ( 4.264 0.685 -0.395) 4.337 32.825 ( 10.501 14.453 1.879) 17.964 32.950 ( 0.579 2.911 1.527) 3.338 33.029 ( -0.431 0.414 0.848) 1.038 33.102 ( -0.341 -4.435 -0.035) 4.448 33.186 ( 2.945 2.316 0.497) 3.780 33.295 ( 1.234 -4.865 -1.277) 5.180 34.330 ( 3.766 -0.071 2.667) 4.616 34.400 ( -0.142 -6.511 5.951) 8.822 35.094 ( -6.931 3.889 -14.333) 16.389 35.177 ( -4.963 -3.785 -11.544) 13.124 36.406 ( -7.865 7.171 5.427) 11.947 36.585 ( -6.028 -9.769 -0.136) 11.480 37.558 ( -4.068 2.012 5.594) 7.203 37.604 ( -2.900 -2.391 3.406) 5.072======================= Grid point 88 (52/66) =======================q-point: (-0.43 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 106Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.967 ( -7.261 19.971 -9.455) 23.258 2.231 ( -5.652 2.803 -20.671) 21.613 2.658 ( -6.443 4.798 3.251) 8.666 2.751 ( -2.029 -4.109 0.098) 4.584 2.859 ( -2.660 -5.985 15.374) 16.711 2.919 ( -0.039 0.589 4.276) 4.316 2.974 ( 0.059 -4.242 9.396) 10.310 3.010 ( -2.471 -7.579 7.295) 10.806 3.167 ( 0.906 0.919 1.949) 2.337 3.203 ( 1.163 -1.052 0.026) 1.568 3.228 ( -0.310 2.054 -1.460) 2.539 3.249 ( -0.086 -1.352 0.546) 1.460 3.640 ( -9.155 2.598 18.257) 20.589 3.730 ( -6.454 -4.414 15.579) 17.431 3.845 ( -4.521 3.537 11.102) 12.498 3.944 ( -0.808 -2.230 10.138) 10.411 3.960 ( -0.768 -2.269 3.294) 4.073 4.004 ( 0.128 -3.027 3.245) 4.439 4.215 ( 4.782 -0.421 -0.317) 4.811 4.261 ( 4.921 -2.713 -0.934) 5.696 4.610 ( -5.320 4.687 3.283) 7.813 4.697 ( 1.888 -3.924 -0.271) 4.363 4.786 ( 5.097 3.257 -5.826) 8.398 4.951 ( -4.792 -6.269 -12.790) 15.028 5.144 ( -16.186 5.966 2.626) 17.450 5.236 ( -13.679 -0.760 1.788) 13.817 5.423 ( -5.912 8.197 -0.790) 10.138 5.490 ( -13.778 5.558 -4.648) 15.567 5.748 ( 3.983 3.076 -5.208) 7.242 5.902 ( 7.202 -7.222 -9.033) 13.624 6.140 ( 1.467 2.595 2.910) 4.166 6.210 ( 2.824 -4.053 1.898) 5.292 6.398 ( -5.078 10.463 -2.541) 11.905 6.460 ( 5.841 4.862 -0.660) 7.629 6.567 ( 0.608 1.872 3.150) 3.714 6.747 ( 4.811 -12.620 0.451) 13.513 7.148 ( -2.215 14.402 -5.006) 15.407 7.262 ( -0.228 9.699 4.652) 10.760 7.501 ( -2.672 0.548 1.719) 3.224 7.609 ( 2.559 -10.494 -3.540) 11.367 7.858 ( -1.318 -0.475 3.672) 3.931 7.894 ( -4.190 -1.894 2.077) 5.045 7.974 ( -0.620 -7.789 1.809) 8.020 8.030 ( 4.333 -9.990 3.795) 11.531 8.526 ( 3.722 6.410 -7.937) 10.859 8.634 ( 5.077 1.048 -7.949) 9.490 8.668 ( 9.156 0.174 -11.724) 14.877 8.759 ( 5.453 -4.493 -10.912) 12.999 9.286 ( -3.191 3.833 2.432) 5.549 9.398 ( 0.929 -5.939 -1.902) 6.305 9.615 ( 1.159 2.164 -6.014) 6.495 9.622 ( 0.551 1.475 -5.921) 6.127 9.896 ( 0.832 15.300 -0.228) 15.325 10.043 ( -0.465 3.777 -6.597) 7.616 10.328 ( 2.849 4.484 -0.860) 5.381 10.376 ( 4.345 1.336 -4.907) 6.689 10.585 ( 0.433 3.521 2.370) 4.266 10.642 ( 1.641 -0.950 -1.739) 2.573 10.791 ( 3.577 -9.446 1.452) 10.204 10.831 ( 0.532 -9.263 -1.547) 9.406 11.595 ( 0.353 5.353 2.675) 5.995 11.671 ( 2.343 14.598 0.844) 14.809 11.752 ( 0.205 -2.183 4.101) 4.650 11.779 ( -5.288 -3.720 -1.067) 6.553 11.793 ( -0.790 -0.712 1.680) 1.988 12.072 ( 6.318 4.746 -6.594) 10.292 12.123 ( 0.002 -15.424 -2.595) 15.640 12.263 ( 6.894 -13.283 -9.088) 17.509 12.585 ( -4.357 0.443 3.766) 5.776 12.661 ( -0.125 -7.355 3.455) 8.127 12.879 ( -1.038 3.266 4.628) 5.759 12.920 ( -4.104 -0.615 3.513) 5.437 13.145 ( -3.177 3.837 10.463) 11.589 13.228 ( -1.229 -1.908 10.808) 11.044 13.490 ( 5.124 -1.498 3.268) 6.260 13.527 ( 2.408 -5.448 3.624) 6.973 14.001 ( 0.007 1.175 4.332) 4.488 14.003 ( -3.086 0.803 2.087) 3.811 14.394 ( 11.043 2.114 -3.051) 11.651 14.422 ( 9.600 0.307 2.461) 9.915 14.605 ( -2.275 8.180 0.776) 8.526 14.737 ( 3.503 -3.394 -5.670) 7.479 15.198 ( -7.379 3.594 0.122) 8.209 15.285 ( -6.647 -4.322 -2.610) 8.347 16.273 ( -1.765 6.262 -0.126) 6.507 16.381 ( -3.127 -2.767 -5.557) 6.951 16.687 ( 0.084 5.365 7.908) 9.557 16.823 ( -4.466 -6.372 1.301) 7.889 17.247 ( -0.880 4.944 6.936) 8.564 17.364 ( 0.026 -5.488 5.355) 7.668 17.686 ( 0.634 3.135 0.263) 3.209 17.753 ( 0.164 -2.758 0.200) 2.770 17.932 ( -0.770 1.755 -0.718) 2.046 17.963 ( -1.408 -1.237 -3.030) 3.562 18.237 ( -0.658 2.427 4.961) 5.562 18.295 ( 1.333 -3.238 4.506) 5.707 18.815 ( -1.542 -0.259 -7.828) 7.982 18.832 ( 0.531 -1.646 -7.471) 7.669 19.331 ( 1.286 2.950 -7.136) 7.828 19.354 ( 1.208 1.036 -7.964) 8.122 22.392 ( -1.364 2.565 4.540) 5.390 22.446 ( -0.605 -1.330 3.869) 4.135 22.555 ( 0.396 0.811 2.274) 2.447 22.622 ( 2.256 -4.299 1.717) 5.150 26.926 ( -2.920 3.856 -1.798) 5.160 27.008 ( 0.430 -3.772 -3.971) 5.494 27.693 ( -4.306 2.959 5.740) 7.762 27.860 ( -1.736 -13.329 0.041) 13.442 29.993 ( 0.307 0.559 -3.571) 3.627 30.007 ( 1.668 -0.741 -3.487) 3.936 30.230 ( -1.555 1.210 -0.202) 1.981 30.255 ( -0.696 -1.023 -1.030) 1.610 31.462 ( -1.013 3.905 1.956) 4.483 31.520 ( -1.299 0.137 -0.564) 1.423 31.682 ( 1.613 -1.561 1.485) 2.692 31.725 ( 0.512 -3.829 -0.569) 3.905 32.411 ( -2.571 9.809 2.433) 10.428 32.572 ( 3.352 -3.841 -1.032) 5.201 32.861 ( -8.813 13.401 0.680) 16.053 33.000 ( 3.923 7.355 0.273) 8.340 33.039 ( -0.882 -1.340 0.900) 1.839 33.102 ( 3.368 -3.140 0.146) 4.607 33.253 ( 2.104 -0.728 -3.747) 4.358 33.296 ( 2.191 -3.763 -5.650) 7.133 34.449 ( 3.738 1.455 3.023) 5.023 34.535 ( 12.091 -5.495 4.996) 14.190 34.894 ( -4.868 3.901 -6.025) 8.673 34.995 ( -6.051 -5.403 -11.110) 13.757 36.345 ( -2.253 7.082 8.568) 11.342 36.517 ( -0.847 -9.107 1.049) 9.206 37.536 ( -1.682 2.111 6.248) 6.806 37.587 ( -1.004 -2.656 3.563) 4.555======================= Grid point 89 (53/66) =======================q-point: (-0.29 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 106Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.884 ( -0.612 22.989 5.220) 23.582 2.107 ( 1.092 5.893 -3.265) 6.825 2.553 ( -7.377 10.992 10.050) 16.621 2.688 ( -5.883 -3.347 2.804) 7.326 2.866 ( -1.885 -5.968 5.407) 8.271 2.924 ( -1.408 -5.885 2.203) 6.440 2.990 ( -2.941 1.453 8.354) 8.975 3.057 ( -0.824 -3.935 9.347) 10.175 3.171 ( -2.401 -1.178 0.484) 2.718 3.227 ( -1.190 -5.804 2.188) 6.316 3.230 ( 1.396 3.812 2.736) 4.895 3.277 ( 2.002 -0.206 1.261) 2.375 3.573 ( -7.961 8.403 15.348) 19.224 3.709 ( -6.728 1.335 18.142) 19.396 3.833 ( -4.678 3.342 11.793) 13.120 3.893 ( -5.066 -2.210 1.147) 5.645 3.949 ( -4.606 1.227 6.534) 8.088 4.067 ( -0.830 -11.357 5.515) 12.652 4.276 ( 2.382 5.583 2.436) 6.540 4.326 ( -3.210 1.160 -5.435) 6.418 4.414 ( -10.116 7.617 4.054) 13.296 4.584 ( -14.260 2.935 -7.258) 16.268 4.677 ( -10.867 -8.558 -4.151) 14.442 4.830 ( -12.637 -5.185 -2.991) 13.983 4.859 ( -6.126 8.368 -0.026) 10.371 5.015 ( 2.430 -5.809 -4.723) 7.871 5.209 ( -4.192 2.742 -5.966) 7.790 5.287 ( -4.979 -2.711 -6.217) 8.414 5.736 ( -1.075 3.359 -3.522) 4.984 5.920 ( 1.361 -10.435 -9.772) 14.361 6.128 ( -9.539 7.719 7.804) 14.542 6.238 ( -2.701 -2.208 6.588) 7.455 6.360 ( 4.448 7.104 -6.186) 10.417 6.549 ( -3.318 8.629 1.612) 9.384 6.559 ( 3.405 -7.003 -4.605) 9.047 6.711 ( -5.569 -8.648 -2.390) 10.560 7.135 ( 4.786 8.831 -6.804) 12.132 7.312 ( -0.717 6.370 4.596) 7.887 7.443 ( -1.659 -1.490 -4.435) 4.964 7.584 ( -5.556 -7.914 -5.299) 11.026 7.722 ( -4.901 -0.260 4.354) 6.561 7.863 ( -1.028 -5.517 6.742) 8.771 8.024 ( 2.348 -2.822 0.147) 3.674 8.114 ( 0.543 -10.231 2.742) 10.605 8.607 ( 7.272 8.928 -5.390) 12.714 8.719 ( 9.136 6.639 -12.257) 16.667 8.799 ( 7.614 -6.954 -4.649) 11.312 8.861 ( 10.771 -3.580 -12.836) 17.134 9.273 ( 0.426 3.015 1.730) 3.502 9.411 ( 1.475 -9.372 -2.696) 9.863 9.614 ( 1.107 5.874 -3.158) 6.760 9.651 ( 3.775 1.354 -3.687) 5.448 9.940 ( 2.422 12.473 -5.538) 13.860 10.003 ( 3.074 12.790 1.002) 13.192 10.372 ( -4.237 -4.585 -4.772) 7.858 10.393 ( 2.647 -3.605 1.547) 4.732 10.628 ( 3.688 10.516 0.454) 11.153 10.694 ( 8.401 9.082 -2.590) 12.640 10.878 ( 5.364 -9.841 -0.326) 11.213 10.927 ( 6.347 -15.199 2.481) 16.657 11.576 ( -3.128 2.857 -0.826) 4.316 11.626 ( -5.782 -2.175 0.091) 6.178 11.711 ( 0.964 1.938 6.092) 6.465 11.825 ( 4.243 -2.945 0.045) 5.165 11.902 ( 6.036 5.994 3.016) 9.025 12.080 ( -2.248 -6.218 -3.355) 7.415 12.178 ( 8.720 6.179 -8.645) 13.746 12.350 ( 7.482 -8.842 -11.443) 16.282 12.507 ( -4.818 3.751 2.965) 6.788 12.649 ( -4.257 -7.467 4.749) 9.820 12.858 ( -3.800 0.452 3.419) 5.131 12.877 ( -2.183 -0.817 3.394) 4.118 13.142 ( -1.819 5.411 7.407) 9.352 13.289 ( -0.846 -7.494 12.219) 14.359 13.556 ( 2.062 2.610 -0.526) 3.367 13.617 ( 4.138 -3.604 -2.015) 5.846 13.959 ( 0.272 4.542 0.008) 4.551 14.069 ( 4.906 -5.523 2.964) 7.960 14.483 ( -1.055 13.543 -3.202) 13.956 14.681 ( 15.881 1.284 -2.036) 16.062 14.727 ( 10.803 -4.324 -10.053) 15.377 14.760 ( 5.307 -3.510 3.886) 7.456 15.083 ( -5.939 1.508 8.854) 10.767 15.144 ( -6.639 -3.727 2.430) 7.992 16.220 ( -4.056 4.509 1.540) 6.257 16.295 ( -2.966 -1.605 -2.248) 4.053 16.635 ( -8.596 3.947 1.007) 9.512 16.770 ( -3.343 -8.335 7.787) 11.886 17.272 ( -0.470 5.130 6.541) 8.326 17.374 ( -1.607 -3.994 3.318) 5.435 17.675 ( -2.431 2.640 -2.819) 4.563 17.726 ( -2.928 -2.255 -4.211) 5.602 17.937 ( 1.062 0.444 2.823) 3.049 17.940 ( -0.059 0.086 1.563) 1.566 18.214 ( -4.932 3.987 3.837) 7.413 18.317 ( -2.441 -5.872 4.445) 7.758 18.717 ( -1.564 4.910 -7.000) 8.692 18.828 ( 2.261 -5.280 -5.467) 7.930 19.263 ( -2.899 2.281 -8.073) 8.876 19.291 ( -2.311 -0.157 -8.596) 8.902 22.406 ( 1.421 3.251 2.079) 4.112 22.481 ( 2.482 -2.726 2.132) 4.258 22.614 ( 3.094 2.265 3.963) 5.514 22.692 ( 2.735 -4.147 3.462) 6.055 26.847 ( -3.710 5.793 -1.147) 6.974 26.972 ( -1.535 -5.891 -2.685) 6.653 27.544 ( -13.215 1.950 3.163) 13.728 27.690 ( -14.936 -12.972 -3.090) 20.023 29.985 ( 1.026 1.577 -3.141) 3.661 30.022 ( 1.828 -1.781 -2.931) 3.887 30.177 ( -3.363 1.888 -0.745) 3.928 30.214 ( -2.580 -1.364 -1.322) 3.204 31.457 ( -0.294 3.267 2.151) 3.922 31.515 ( -0.101 -1.700 2.036) 2.654 31.719 ( 1.611 -1.118 0.048) 1.962 31.735 ( 0.722 -1.782 -0.817) 2.088 32.367 ( -2.996 12.670 1.325) 13.087 32.558 ( -5.146 2.695 -3.224) 6.644 32.693 ( -5.768 3.814 1.229) 7.023 32.920 ( -8.810 -8.367 -0.923) 12.185 33.084 ( 3.907 3.622 -0.511) 5.352 33.174 ( 3.085 -5.046 -1.500) 6.101 33.237 ( 0.849 4.100 -8.076) 9.097 33.296 ( 0.278 -1.239 -5.823) 5.959 34.458 ( -0.515 14.458 -9.016) 17.046 34.748 ( 1.066 -12.254 -12.303) 17.398 34.893 ( 8.462 3.155 7.535) 11.761 34.979 ( 9.074 -4.905 9.109) 13.761 36.431 ( 4.392 5.509 13.409) 15.147 36.572 ( 4.832 -7.660 4.245) 10.002 37.567 ( 0.650 0.962 7.418) 7.508 37.607 ( 0.514 -2.599 4.510) 5.230======================= Grid point 90 (54/66) =======================q-point: (-0.14 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 106Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.971 ( 2.704 21.797 15.500) 26.883 2.217 ( 5.179 4.054 15.352) 16.701 2.521 ( -3.578 11.270 16.277) 20.118 2.571 ( -6.907 -2.134 4.880) 8.723 2.832 ( -3.416 -0.359 -0.461) 3.466 2.917 ( -1.334 -3.904 1.370) 4.348 2.994 ( -1.964 1.628 12.111) 12.377 3.043 ( -10.294 -0.607 0.676) 10.334 3.078 ( -1.202 -2.084 3.207) 4.009 3.151 ( -3.595 -2.438 2.395) 4.960 3.277 ( -5.836 -0.072 9.961) 11.545 3.306 ( -1.384 0.190 2.381) 2.761 3.515 ( -5.358 8.746 17.554) 20.331 3.626 ( -12.753 0.376 15.401) 19.999 3.745 ( -6.598 2.729 1.330) 7.263 3.774 ( -10.247 -1.155 10.386) 14.635 3.911 ( 3.461 12.045 -2.509) 12.781 4.018 ( -5.640 6.596 1.381) 8.788 4.117 ( -7.797 5.108 -11.908) 15.122 4.172 ( -6.284 -3.909 -4.713) 8.774 4.339 ( -1.404 3.630 4.352) 5.839 4.457 ( -0.304 4.931 0.470) 4.962 4.577 ( -1.837 10.179 -7.522) 12.789 4.633 ( 0.718 -2.221 -0.131) 2.338 4.845 ( 2.121 -11.733 6.813) 13.733 5.026 ( 2.248 -19.925 -11.495) 23.113 5.188 ( 3.166 6.121 -6.322) 9.352 5.300 ( 6.873 -3.361 -3.904) 8.590 5.676 ( -3.947 1.911 0.843) 4.466 5.838 ( -8.101 -5.162 -1.939) 9.799 5.977 ( -5.860 -3.595 4.260) 8.088 6.081 ( -15.751 -7.541 7.158) 18.873 6.410 ( -2.965 5.414 -4.641) 7.723 6.451 ( 4.225 3.912 -9.615) 11.207 6.583 ( 1.010 -7.521 -9.693) 12.311 6.629 ( 0.694 -5.089 -7.297) 8.923 7.178 ( 0.063 7.870 2.010) 8.123 7.303 ( -0.799 2.806 4.807) 5.623 7.390 ( -0.661 -8.908 -5.192) 10.331 7.449 ( -3.917 -7.015 -0.212) 8.037 7.718 ( 0.685 4.874 0.468) 4.944 7.906 ( -0.125 -8.431 6.167) 10.447 8.031 ( -0.732 -0.984 -1.462) 1.908 8.123 ( 0.362 -6.742 0.796) 6.798 8.682 ( 1.399 8.215 -1.396) 8.449 8.814 ( 6.591 10.240 -7.803) 14.463 8.865 ( 2.742 -8.206 -5.693) 10.357 9.021 ( 13.232 -5.901 -15.316) 21.083 9.317 ( 3.490 2.284 -2.023) 4.636 9.405 ( -0.094 -5.488 -4.404) 7.037 9.621 ( 1.159 7.413 1.665) 7.686 9.696 ( 2.807 0.895 0.145) 2.950 9.962 ( 3.969 15.302 -4.414) 16.413 10.115 ( 6.509 6.396 -5.364) 10.585 10.242 ( -5.626 5.010 -4.101) 8.578 10.368 ( -4.072 -4.103 -3.388) 6.700 10.773 ( 9.255 9.185 2.965) 13.372 10.866 ( 7.965 3.986 1.082) 8.972 10.982 ( 3.602 -7.348 0.708) 8.214 11.045 ( 3.821 -14.398 1.892) 15.016 11.532 ( -0.795 0.471 1.976) 2.181 11.565 ( -0.656 -3.312 3.350) 4.757 11.783 ( 2.102 3.130 5.438) 6.617 11.896 ( 2.602 -5.399 -0.287) 6.000 11.972 ( -0.689 2.682 0.545) 2.822 12.044 ( 0.404 -1.523 0.745) 1.743 12.269 ( 4.989 4.176 -9.294) 11.345 12.393 ( 3.402 -4.989 -10.342) 11.976 12.440 ( -3.203 5.335 -0.839) 6.279 12.573 ( -5.467 -4.418 4.788) 8.505 12.782 ( -4.726 -0.503 -1.293) 4.925 12.838 ( -2.925 -4.340 0.896) 5.310 13.171 ( -0.762 7.202 9.271) 11.765 13.314 ( -4.203 -5.321 12.003) 13.786 13.590 ( 3.873 6.418 -5.300) 9.181 13.660 ( 4.517 -0.438 -9.201) 10.260 14.038 ( 6.337 7.050 1.906) 9.670 14.214 ( 6.757 -9.097 4.042) 12.031 14.450 ( -0.023 10.813 -3.610) 11.400 14.666 ( -4.449 -7.719 -3.211) 9.471 14.890 ( 4.168 0.472 -4.706) 6.305 14.949 ( -1.336 -3.990 -2.127) 4.715 15.120 ( 13.900 5.037 2.511) 14.996 15.207 ( 9.454 -1.588 3.923) 10.358 16.145 ( -4.852 4.500 2.817) 7.192 16.242 ( -1.431 -4.108 0.149) 4.353 16.452 ( -8.153 6.429 -2.798) 10.753 16.673 ( -13.485 -15.432 3.792) 20.842 17.317 ( 0.935 3.311 8.298) 8.983 17.364 ( 0.528 0.647 1.871) 2.049 17.534 ( -10.294 0.671 0.891) 10.354 17.570 ( -9.012 -1.839 -3.339) 9.785 17.966 ( 0.182 2.307 3.977) 4.601 18.003 ( 2.702 -0.532 5.103) 5.799 18.124 ( -5.958 3.891 7.272) 10.175 18.244 ( -7.631 -6.976 6.333) 12.124 18.712 ( 4.587 7.933 -5.177) 10.525 18.872 ( 5.794 -6.766 -5.398) 10.415 19.156 ( -2.350 0.965 -8.851) 9.209 19.190 ( -2.338 -1.925 -7.859) 8.422 22.479 ( 4.968 4.327 0.293) 6.595 22.534 ( 0.709 0.685 1.299) 1.631 22.712 ( 4.488 -1.047 3.763) 5.950 22.752 ( 0.843 -3.635 4.301) 5.694 26.797 ( -0.195 6.745 -0.182) 6.750 26.945 ( 0.599 -7.047 -1.189) 7.172 27.261 ( -16.106 -1.597 1.683) 16.272 27.290 ( -21.633 -5.062 -2.307) 22.337 29.999 ( 2.153 1.990 -2.519) 3.866 30.044 ( 2.147 -2.037 -2.375) 3.795 30.103 ( -3.233 2.377 -1.473) 4.274 30.150 ( -2.864 -1.665 -1.759) 3.751 31.483 ( 1.153 2.056 3.033) 3.841 31.528 ( -0.299 -2.318 3.109) 3.890 31.735 ( -0.087 -0.032 -0.519) 0.527 31.744 ( 1.135 -0.746 -1.599) 2.098 32.321 ( -1.885 12.745 0.268) 12.887 32.405 ( -6.246 10.838 -1.794) 12.637 32.646 ( -0.995 -7.487 0.423) 7.564 32.743 ( -7.527 -10.022 -0.320) 12.538 33.141 ( 2.433 2.602 -2.968) 4.636 33.179 ( -2.174 4.026 -6.828) 8.219 33.211 ( 2.261 -3.384 -2.926) 5.012 33.248 ( -1.812 -1.745 -3.761) 4.525 34.400 ( -0.373 13.544 -4.924) 14.416 34.626 ( -3.622 -7.858 -8.909) 12.420 35.143 ( 10.306 2.544 2.910) 11.007 35.224 ( 9.913 -4.717 1.782) 11.122 36.640 ( 6.767 2.580 14.132) 15.879 36.733 ( 7.292 -5.753 6.537) 11.358 37.641 ( 1.488 -1.779 8.415) 8.729 37.653 ( 1.102 -2.398 5.676) 6.259======================= Grid point 105 (55/66) =======================q-point: ( 0.00 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 33Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.077 ( -6.687 0.000 -22.160) 23.147 2.077 ( 6.687 0.000 22.160) 23.147 2.223 ( 0.569 0.000 -20.474) 20.482 2.223 ( -0.569 0.000 20.474) 20.482 2.914 ( 3.706 0.000 -8.259) 9.052 2.914 ( -3.706 0.000 8.259) 9.052 3.010 ( -2.314 0.000 -4.154) 4.755 3.010 ( 2.314 0.000 4.154) 4.755 3.228 ( 5.380 0.000 -4.383) 6.940 3.228 ( -5.380 0.000 4.383) 6.940 3.312 ( -3.935 0.000 -9.295) 10.094 3.312 ( 3.935 0.000 9.295) 10.094 3.354 ( 6.015 0.000 -2.548) 6.533 3.354 ( -6.015 0.000 2.548) 6.533 3.640 ( -2.359 0.000 -0.700) 2.461 3.640 ( 2.359 0.000 0.700) 2.461 3.777 ( 2.638 0.000 -2.187) 3.427 3.777 ( -2.638 0.000 2.187) 3.427 3.951 ( -0.191 0.000 -1.733) 1.744 3.951 ( 0.191 0.000 1.733) 1.744 4.133 ( -4.560 0.000 -4.889) 6.685 4.133 ( 4.560 0.000 4.889) 6.685 4.422 ( -0.635 0.000 -2.516) 2.595 4.422 ( 0.635 0.000 2.516) 2.595 4.889 ( 1.522 0.000 -21.571) 21.625 4.889 ( -1.522 0.000 21.571) 21.625 5.720 ( -6.848 0.000 -7.394) 10.078 5.720 ( 6.848 0.000 7.394) 10.078 5.900 ( 10.086 0.000 -16.489) 19.329 5.900 ( -10.086 0.000 16.489) 19.329 6.215 ( -10.889 0.000 -1.797) 11.036 6.215 ( 10.889 0.000 1.797) 11.036 6.293 ( 1.970 0.000 -1.584) 2.528 6.293 ( -1.970 0.000 1.584) 2.528 6.812 ( -1.311 0.000 0.372) 1.363 6.812 ( 1.311 0.000 -0.372) 1.363 7.401 ( -1.126 0.000 -20.207) 20.238 7.401 ( 1.126 0.000 20.207) 20.238 7.579 ( -6.928 0.000 -1.584) 7.106 7.579 ( 6.928 0.000 1.584) 7.106 7.938 ( -4.867 0.000 0.391) 4.882 7.938 ( 4.867 0.000 -0.391) 4.882 8.182 ( 0.347 0.000 -3.223) 3.241 8.182 ( -0.347 0.000 3.223) 3.241 8.399 ( 0.820 0.000 -1.275) 1.517 8.399 ( -0.820 0.000 1.275) 1.517 8.854 ( -5.356 0.000 0.230) 5.361 8.854 ( 5.356 0.000 -0.230) 5.361 9.150 ( -7.811 0.000 -1.172) 7.899 9.150 ( 7.811 0.000 1.172) 7.899 9.611 ( -0.491 0.000 -2.289) 2.341 9.611 ( 0.491 0.000 2.289) 2.341 9.722 ( -3.789 0.000 -4.894) 6.189 9.722 ( 3.789 0.000 4.894) 6.189 10.116 ( 3.232 0.000 -8.212) 8.826 10.116 ( -3.232 0.000 8.212) 8.826 10.882 ( -2.046 0.000 -2.034) 2.885 10.882 ( 2.046 0.000 2.034) 2.885 11.282 ( -0.127 0.000 -4.942) 4.944 11.282 ( 0.127 0.000 4.942) 4.944 11.650 ( 0.119 0.000 -2.876) 2.878 11.650 ( -0.119 0.000 2.876) 2.878 11.935 ( -6.199 0.000 -1.810) 6.458 11.935 ( 6.199 0.000 1.810) 6.458 12.100 ( -1.881 0.000 -1.336) 2.307 12.100 ( 1.881 0.000 1.336) 2.307 12.490 ( -3.253 0.000 -4.722) 5.734 12.490 ( 3.253 0.000 4.722) 5.734 12.521 ( -11.124 0.000 -16.459) 19.865 12.521 ( 11.124 0.000 16.459) 19.865 12.891 ( 1.164 0.000 -2.422) 2.688 12.891 ( -1.164 0.000 2.422) 2.688 12.981 ( 4.599 0.000 -3.149) 5.574 12.981 ( -4.599 0.000 3.149) 5.574 13.289 ( 1.378 0.000 -3.548) 3.806 13.289 ( -1.378 0.000 3.548) 3.806 14.082 ( 0.176 0.000 -5.894) 5.897 14.082 ( -0.176 0.000 5.894) 5.897 14.634 ( 2.247 0.000 -1.413) 2.655 14.634 ( -2.247 0.000 1.413) 2.655 14.955 ( 14.755 0.000 -8.793) 17.177 14.955 ( -14.755 0.000 8.793) 17.177 15.133 ( 14.916 0.000 -10.016) 17.966 15.133 ( -14.916 0.000 10.016) 17.966 16.065 ( 4.830 0.000 -7.184) 8.657 16.065 ( -4.830 0.000 7.184) 8.657 16.463 ( -10.876 0.000 -1.528) 10.982 16.463 ( 10.876 0.000 1.528) 10.982 17.333 ( -4.745 0.000 -3.072) 5.652 17.333 ( 4.745 0.000 3.072) 5.652 17.683 ( 3.870 0.000 -7.247) 8.215 17.683 ( -3.870 0.000 7.247) 8.215 18.076 ( 3.431 0.000 -3.110) 4.631 18.076 ( -3.431 0.000 3.110) 4.631 18.331 ( -3.684 0.000 -5.196) 6.370 18.331 ( 3.684 0.000 5.196) 6.370 18.746 ( 1.656 0.000 -12.877) 12.983 18.746 ( -1.656 0.000 12.877) 12.983 19.157 ( -2.343 0.000 0.264) 2.358 19.157 ( 2.343 0.000 -0.264) 2.358 22.449 ( 6.215 0.000 -3.294) 7.034 22.449 ( -6.215 0.000 3.294) 7.034 22.914 ( 1.732 0.000 -0.643) 1.847 22.914 ( -1.732 0.000 0.643) 1.847 26.782 ( -13.033 0.000 -3.294) 13.443 26.782 ( 13.033 0.000 3.294) 13.443 27.195 ( -9.721 0.000 1.969) 9.918 27.195 ( 9.721 0.000 -1.969) 9.918 29.973 ( -2.167 0.000 0.420) 2.208 29.973 ( 2.167 0.000 -0.420) 2.208 30.089 ( 1.280 0.000 -0.598) 1.413 30.089 ( -1.280 0.000 0.598) 1.413 31.599 ( -4.547 0.000 -2.014) 4.973 31.599 ( 4.547 0.000 2.014) 4.973 31.757 ( -0.617 0.000 -0.396) 0.733 31.757 ( 0.617 0.000 0.396) 0.733 31.925 ( -2.936 0.000 0.170) 2.940 31.925 ( 2.936 0.000 -0.170) 2.940 32.851 ( -1.681 0.000 0.163) 1.689 32.851 ( 1.681 0.000 -0.163) 1.689 33.070 ( -0.670 0.000 -1.268) 1.434 33.070 ( 0.670 0.000 1.268) 1.434 33.248 ( -0.087 0.000 -2.704) 2.705 33.248 ( 0.087 0.000 2.704) 2.705 34.361 ( -6.028 0.000 -11.478) 12.964 34.361 ( 6.028 0.000 11.478) 12.964 35.280 ( -1.428 0.000 -3.525) 3.803 35.280 ( 1.428 0.000 3.525) 3.803 36.928 ( 6.037 0.000 -4.903) 7.777 36.928 ( -6.037 0.000 4.903) 7.777 37.920 ( 0.804 0.000 -7.046) 7.091 37.920 ( -0.804 0.000 7.046) 7.091======================= Grid point 107 (56/66) =======================q-point: ( 0.14 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 63Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.987 ( 9.943 0.000 -30.039) 31.642 2.230 ( 12.962 0.000 -21.545) 25.144 2.370 ( 4.854 0.000 -4.771) 6.806 2.410 ( 8.103 0.000 12.230) 14.671 2.765 ( -1.573 0.000 -16.622) 16.696 2.931 ( 0.671 0.000 7.915) 7.943 3.034 ( -0.432 0.000 0.132) 0.451 3.037 ( 3.463 0.000 4.864) 5.971 3.122 ( -4.985 0.000 -3.892) 6.324 3.195 ( -2.021 0.000 -0.815) 2.179 3.278 ( 5.307 0.000 -1.639) 5.554 3.418 ( 6.885 0.000 -5.733) 8.959 3.504 ( 6.911 0.000 7.917) 10.509 3.516 ( 15.739 0.000 0.625) 15.751 3.688 ( 6.530 0.000 -3.166) 7.257 3.791 ( 1.265 0.000 -0.059) 1.266 3.802 ( 14.729 0.000 -4.823) 15.498 3.866 ( 4.013 0.000 1.999) 4.483 3.947 ( 3.925 0.000 -2.044) 4.426 3.949 ( 2.556 0.000 1.908) 3.190 4.155 ( 4.343 0.000 16.206) 16.777 4.276 ( 3.712 0.000 10.759) 11.382 4.488 ( 5.953 0.000 1.437) 6.124 4.570 ( 10.775 0.000 9.807) 14.569 4.797 ( 3.098 0.000 -22.642) 22.853 4.989 ( 0.599 0.000 15.778) 15.789 5.538 ( -7.613 0.000 -5.270) 9.259 5.763 ( -12.966 0.000 22.370) 25.856 5.848 ( -1.963 0.000 4.314) 4.739 5.898 ( -8.675 0.000 1.377) 8.784 6.104 ( 1.229 0.000 4.905) 5.057 6.223 ( 2.307 0.000 -16.220) 16.383 6.265 ( -0.739 0.000 -10.939) 10.964 6.468 ( 11.385 0.000 0.553) 11.399 6.783 ( -3.368 0.000 8.802) 9.424 6.794 ( -6.136 0.000 7.468) 9.666 7.161 ( -7.838 0.000 -18.963) 20.519 7.255 ( -11.979 0.000 -8.024) 14.417 7.601 ( -0.757 0.000 6.248) 6.294 7.728 ( 7.338 0.000 -9.168) 11.743 7.893 ( -0.317 0.000 10.649) 10.653 7.968 ( -2.193 0.000 -1.741) 2.800 8.138 ( -5.575 0.000 3.585) 6.629 8.158 ( 1.332 0.000 -2.212) 2.582 8.382 ( -3.862 0.000 4.723) 6.101 8.441 ( 3.271 0.000 0.852) 3.380 8.752 ( -5.167 0.000 3.129) 6.040 8.902 ( -0.500 0.000 0.922) 1.049 9.096 ( 3.558 0.000 -3.762) 5.178 9.329 ( 7.130 0.000 3.531) 7.956 9.603 ( 1.617 0.000 -3.908) 4.229 9.651 ( -2.091 0.000 -2.314) 3.119 9.665 ( 5.637 0.000 -2.417) 6.133 9.802 ( -0.939 0.000 4.310) 4.411 10.146 ( 1.045 0.000 7.377) 7.451 10.166 ( 5.280 0.000 -4.652) 7.037 10.673 ( -11.430 0.000 -5.570) 12.715 10.727 ( -14.654 0.000 -0.092) 14.654 11.290 ( -0.522 0.000 -3.514) 3.552 11.349 ( -1.283 0.000 3.932) 4.136 11.605 ( -2.276 0.000 -5.019) 5.510 11.653 ( 3.646 0.000 -5.433) 6.543 11.848 ( -3.588 0.000 3.797) 5.224 11.981 ( -8.135 0.000 -1.552) 8.281 12.065 ( 4.066 0.000 6.482) 7.652 12.124 ( 2.462 0.000 -1.679) 2.980 12.169 ( -12.563 0.000 -14.814) 19.424 12.409 ( -2.056 0.000 -4.312) 4.777 12.564 ( 2.583 0.000 -2.625) 3.682 12.741 ( 5.804 0.000 -0.358) 5.815 12.918 ( -0.102 0.000 4.917) 4.918 12.933 ( 4.286 0.000 -8.350) 9.385 13.019 ( 3.130 0.000 24.817) 25.014 13.094 ( 7.638 0.000 -2.870) 8.159 13.359 ( 6.693 0.000 -0.187) 6.695 13.369 ( 6.585 0.000 6.681) 9.381 14.023 ( -3.152 0.000 -2.027) 3.747 14.093 ( -1.456 0.000 5.921) 6.097 14.545 ( -9.625 0.000 8.145) 12.609 14.617 ( -5.238 0.000 6.249) 8.154 14.736 ( -11.958 0.000 9.825) 15.477 14.810 ( -19.356 0.000 2.461) 19.512 15.163 ( 8.268 0.000 -6.173) 10.318 15.297 ( 8.508 0.000 -11.380) 14.208 16.121 ( 4.748 0.000 4.921) 6.838 16.180 ( 8.527 0.000 -7.327) 11.243 16.335 ( -2.336 0.000 0.217) 2.346 16.805 ( 19.066 0.000 10.579) 21.804 17.263 ( -0.955 0.000 -2.278) 2.470 17.480 ( 7.216 0.000 5.654) 9.167 17.600 ( -7.821 0.000 3.103) 8.414 17.685 ( 1.435 0.000 -6.128) 6.293 18.010 ( -4.186 0.000 0.962) 4.295 18.093 ( -0.293 0.000 -3.903) 3.914 18.230 ( -2.256 0.000 -3.139) 3.866 18.394 ( -0.143 0.000 5.682) 5.684 18.726 ( 2.689 0.000 -15.007) 15.246 18.829 ( 3.797 0.000 5.631) 6.792 19.100 ( -2.251 0.000 0.346) 2.277 19.170 ( -0.652 0.000 -0.287) 0.713 22.354 ( -4.240 0.000 2.774) 5.067 22.515 ( 2.132 0.000 -3.190) 3.837 22.844 ( -5.018 0.000 -0.375) 5.032 22.899 ( -2.544 0.000 -0.763) 2.656 26.661 ( 0.805 0.000 -1.260) 1.496 27.052 ( -1.903 0.000 2.713) 3.314 27.239 ( 22.139 0.000 13.478) 25.919 27.439 ( 16.223 0.000 -2.733) 16.451 29.938 ( -1.239 0.000 -0.262) 1.266 30.002 ( 0.661 0.000 -0.313) 0.731 30.096 ( 2.089 0.000 -0.046) 2.090 30.128 ( 2.836 0.000 -0.189) 2.842 31.486 ( -5.575 0.000 -1.786) 5.854 31.676 ( 1.244 0.000 2.511) 2.802 31.766 ( -0.814 0.000 -2.839) 2.953 31.789 ( 4.381 0.000 -1.257) 4.558 31.915 ( 3.922 0.000 1.515) 4.205 31.967 ( 1.222 0.000 -0.374) 1.278 32.790 ( -5.196 0.000 0.733) 5.248 32.871 ( 0.186 0.000 1.821) 1.830 33.054 ( 0.137 0.000 -1.026) 1.035 33.075 ( -0.951 0.000 0.944) 1.340 33.257 ( 1.947 0.000 -1.010) 2.193 33.284 ( 1.106 0.000 3.295) 3.476 34.203 ( -2.186 0.000 -10.660) 10.881 34.541 ( 5.497 0.000 10.753) 12.077 35.193 ( -4.877 0.000 -5.948) 7.692 35.293 ( -1.455 0.000 0.514) 1.543 36.787 ( -10.555 0.000 4.743) 11.572 36.935 ( -1.645 0.000 -8.577) 8.733 37.838 ( -4.746 0.000 -4.321) 6.418 37.870 ( -7.027 0.000 3.457) 7.831======================= Grid point 108 (57/66) =======================q-point: ( 0.29 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 63Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.890 ( -1.914 0.000 -35.755) 35.806 2.022 ( -16.229 0.000 -30.198) 34.283 2.429 ( 17.021 0.000 -15.481) 23.009 2.623 ( 7.131 0.000 6.429) 9.601 2.868 ( 4.181 0.000 4.978) 6.501 2.953 ( -1.233 0.000 -0.046) 1.234 3.010 ( 0.849 0.000 -1.422) 1.657 3.107 ( 2.869 0.000 0.113) 2.871 3.113 ( 1.398 0.000 3.614) 3.875 3.165 ( -1.641 0.000 0.617) 1.753 3.465 ( 13.719 0.000 -6.697) 15.266 3.537 ( 5.610 0.000 3.416) 6.568 3.739 ( -1.697 0.000 11.718) 11.840 3.813 ( 1.243 0.000 9.413) 9.495 3.819 ( 16.745 0.000 0.050) 16.745 3.846 ( 10.304 0.000 -1.433) 10.404 3.900 ( 14.581 0.000 -7.720) 16.499 4.040 ( 8.010 0.000 8.477) 11.663 4.095 ( 6.750 0.000 11.967) 13.740 4.185 ( 16.570 0.000 -6.691) 17.870 4.371 ( -0.585 0.000 -4.372) 4.411 4.376 ( 4.745 0.000 15.756) 16.455 4.641 ( 13.633 0.000 -16.640) 21.512 4.854 ( 17.137 0.000 -3.412) 17.474 4.904 ( 14.317 0.000 5.594) 15.371 5.115 ( 5.988 0.000 5.492) 8.125 5.382 ( -5.243 0.000 0.214) 5.248 5.617 ( -16.300 0.000 18.020) 24.298 5.632 ( -14.925 0.000 3.308) 15.287 5.796 ( -6.241 0.000 10.010) 11.796 6.117 ( 2.010 0.000 -14.976) 15.111 6.127 ( -4.535 0.000 -16.014) 16.644 6.262 ( -1.324 0.000 12.147) 12.219 6.626 ( 6.241 0.000 -4.680) 7.801 6.671 ( -9.407 0.000 8.898) 12.949 6.766 ( -9.485 0.000 10.978) 14.508 6.952 ( -1.615 0.000 -15.295) 15.380 7.025 ( -1.971 0.000 -9.431) 9.635 7.568 ( -4.881 0.000 7.218) 8.714 7.723 ( -0.125 0.000 -13.916) 13.917 7.902 ( -1.887 0.000 -1.872) 2.658 7.982 ( -1.669 0.000 2.031) 2.629 8.092 ( 2.321 0.000 12.298) 12.515 8.202 ( 4.347 0.000 -5.296) 6.852 8.317 ( -5.296 0.000 6.257) 8.198 8.499 ( 1.105 0.000 1.222) 1.648 8.719 ( -0.350 0.000 4.494) 4.508 8.903 ( 0.826 0.000 -2.735) 2.857 9.144 ( 3.025 0.000 -3.828) 4.879 9.415 ( -0.139 0.000 1.687) 1.692 9.517 ( -8.215 0.000 -0.917) 8.266 9.668 ( -12.140 0.000 0.306) 12.143 9.702 ( 8.046 0.000 -1.495) 8.184 9.822 ( 9.221 0.000 -1.442) 9.333 10.136 ( -6.492 0.000 0.785) 6.539 10.232 ( 1.288 0.000 3.746) 3.961 10.429 ( -14.075 0.000 -0.036) 14.075 10.589 ( 6.981 0.000 -0.174) 6.983 11.129 ( -13.513 0.000 -5.105) 14.445 11.248 ( -8.899 0.000 3.532) 9.574 11.515 ( -3.527 0.000 -4.465) 5.690 11.655 ( -7.580 0.000 -13.710) 15.666 11.777 ( 4.432 0.000 -3.700) 5.773 11.864 ( -3.036 0.000 2.514) 3.942 12.061 ( 7.510 0.000 0.416) 7.521 12.160 ( 1.961 0.000 5.755) 6.080 12.212 ( 6.600 0.000 -4.536) 8.008 12.370 ( -1.263 0.000 2.269) 2.597 12.555 ( -0.491 0.000 -4.391) 4.419 12.799 ( 2.086 0.000 -2.466) 3.230 12.920 ( -1.929 0.000 -4.647) 5.032 12.928 ( -2.808 0.000 7.261) 7.785 13.238 ( 9.809 0.000 -4.447) 10.770 13.297 ( 10.885 0.000 13.992) 17.728 13.528 ( 8.629 0.000 2.978) 9.128 13.577 ( 9.452 0.000 5.608) 10.990 13.958 ( -2.821 0.000 0.326) 2.840 14.118 ( 1.449 0.000 1.857) 2.355 14.390 ( -11.811 0.000 11.928) 16.786 14.445 ( -14.458 0.000 -7.005) 16.066 14.521 ( -9.908 0.000 11.585) 15.244 14.593 ( -9.315 0.000 8.888) 12.875 15.238 ( 3.231 0.000 -3.355) 4.658 15.348 ( 4.337 0.000 -12.516) 13.246 16.149 ( -2.562 0.000 0.497) 2.610 16.246 ( 2.653 0.000 -7.959) 8.390 16.455 ( 10.763 0.000 8.073) 13.454 17.176 ( 8.671 0.000 14.030) 16.493 17.261 ( 2.223 0.000 -3.503) 4.149 17.402 ( -11.428 0.000 -6.269) 13.035 17.652 ( 4.889 0.000 6.903) 8.459 17.695 ( 2.910 0.000 -4.225) 5.130 17.947 ( -2.444 0.000 1.073) 2.669 18.018 ( -4.224 0.000 -1.825) 4.601 18.233 ( 3.982 0.000 -5.037) 6.421 18.442 ( 2.143 0.000 5.874) 6.252 18.625 ( -3.210 0.000 -9.570) 10.094 18.920 ( 3.132 0.000 -2.050) 3.743 19.115 ( 2.806 0.000 -0.127) 2.809 19.142 ( -1.847 0.000 1.430) 2.336 22.335 ( 0.044 0.000 3.377) 3.377 22.496 ( -2.071 0.000 -2.172) 3.001 22.746 ( -3.560 0.000 -1.577) 3.894 22.826 ( -4.206 0.000 -0.093) 4.207 26.740 ( 7.275 0.000 -2.956) 7.852 27.016 ( -2.638 0.000 2.648) 3.738 27.757 ( 17.912 0.000 -5.433) 18.718 27.781 ( 17.130 0.000 23.409) 29.007 29.927 ( 0.355 0.000 -0.663) 0.752 29.997 ( -1.026 0.000 0.363) 1.088 30.160 ( 4.246 0.000 -0.894) 4.339 30.188 ( 2.938 0.000 0.426) 2.968 31.385 ( -3.387 0.000 -0.727) 3.464 31.609 ( -6.722 0.000 -1.317) 6.849 31.784 ( 3.181 0.000 -0.602) 3.237 31.889 ( 5.052 0.000 -2.128) 5.482 31.983 ( 2.249 0.000 -0.047) 2.250 32.067 ( 9.027 0.000 1.469) 9.146 32.668 ( -7.099 0.000 0.918) 7.158 32.857 ( -4.888 0.000 4.021) 6.329 33.070 ( 1.925 0.000 -0.416) 1.970 33.073 ( 1.307 0.000 1.460) 1.960 33.293 ( 1.850 0.000 -1.520) 2.394 33.299 ( -1.183 0.000 0.757) 1.404 34.199 ( 7.155 0.000 -4.830) 8.632 34.704 ( 4.736 0.000 11.558) 12.490 35.012 ( -9.582 0.000 -8.087) 12.539 35.226 ( -4.522 0.000 -3.922) 5.986 36.613 ( -10.181 0.000 7.605) 12.708 36.772 ( -6.649 0.000 -14.878) 16.296 37.724 ( -4.961 0.000 0.012) 4.961 37.742 ( -5.341 0.000 -1.811) 5.639======================= Grid point 109 (58/66) =======================q-point: ( 0.43 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 63Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.617 ( -3.463 0.000 -22.530) 22.795 1.626 ( -9.360 0.000 -9.098) 13.053 2.642 ( 11.156 0.000 -8.687) 14.139 2.726 ( -1.277 0.000 6.046) 6.179 2.924 ( -0.144 0.000 4.471) 4.473 2.938 ( 0.602 0.000 -3.534) 3.585 3.035 ( 2.568 0.000 -0.464) 2.609 3.100 ( -3.688 0.000 0.962) 3.811 3.154 ( 1.530 0.000 0.222) 1.546 3.163 ( 0.394 0.000 1.043) 1.115 3.579 ( 2.785 0.000 -7.250) 7.767 3.591 ( -1.265 0.000 1.041) 1.639 3.821 ( 4.406 0.000 16.045) 16.638 3.905 ( 6.469 0.000 -3.312) 7.267 4.024 ( 5.641 0.000 1.814) 5.925 4.086 ( -2.034 0.000 -1.988) 2.844 4.125 ( 5.186 0.000 2.263) 5.658 4.143 ( 6.203 0.000 -1.724) 6.438 4.295 ( 5.493 0.000 -11.914) 13.119 4.333 ( 8.320 0.000 14.867) 17.037 4.481 ( -1.752 0.000 11.355) 11.490 4.492 ( 9.722 0.000 -4.006) 10.515 4.782 ( 15.196 0.000 -17.792) 23.398 4.918 ( -12.673 0.000 14.450) 19.220 5.206 ( -1.704 0.000 -7.153) 7.353 5.246 ( -5.182 0.000 14.592) 15.485 5.363 ( 8.134 0.000 -12.152) 14.623 5.395 ( 8.446 0.000 -0.738) 8.478 5.675 ( 15.490 0.000 -4.001) 15.999 5.726 ( -8.311 0.000 14.454) 16.673 5.888 ( -5.734 0.000 -17.504) 18.420 6.053 ( -17.575 0.000 18.774) 25.717 6.264 ( 7.364 0.000 -2.924) 7.924 6.509 ( -15.093 0.000 -0.870) 15.118 6.625 ( 0.687 0.000 3.283) 3.354 6.669 ( -0.633 0.000 -2.082) 2.176 6.947 ( 7.752 0.000 -11.255) 13.666 7.017 ( -3.271 0.000 7.523) 8.203 7.538 ( -2.517 0.000 9.842) 10.158 7.607 ( -1.678 0.000 -14.478) 14.575 7.886 ( 0.760 0.000 -0.452) 0.885 7.918 ( -2.842 0.000 0.349) 2.864 8.243 ( 3.364 0.000 -6.323) 7.162 8.268 ( -3.172 0.000 5.468) 6.321 8.297 ( 8.862 0.000 8.306) 12.146 8.470 ( -4.540 0.000 -1.960) 4.945 8.771 ( 2.277 0.000 5.115) 5.599 8.859 ( -2.930 0.000 -5.205) 5.974 9.215 ( 6.380 0.000 -0.047) 6.380 9.357 ( -6.004 0.000 0.192) 6.007 9.375 ( -3.800 0.000 -0.924) 3.911 9.418 ( -9.216 0.000 -1.763) 9.383 9.883 ( 9.240 0.000 1.248) 9.324 9.938 ( 1.918 0.000 0.136) 1.923 10.018 ( -1.631 0.000 -4.870) 5.136 10.137 ( -12.476 0.000 3.526) 12.965 10.410 ( 11.201 0.000 6.839) 13.124 10.738 ( -10.096 0.000 -8.985) 13.515 10.846 ( 4.116 0.000 6.563) 7.747 11.070 ( -10.327 0.000 -2.073) 10.533 11.441 ( -1.338 0.000 -2.642) 2.962 11.461 ( -4.097 0.000 -3.834) 5.611 11.847 ( 3.458 0.000 -4.408) 5.602 11.859 ( -0.832 0.000 3.966) 4.053 12.226 ( 1.430 0.000 6.037) 6.204 12.242 ( 5.889 0.000 -3.608) 6.907 12.302 ( 7.880 0.000 -10.149) 12.849 12.362 ( -3.729 0.000 8.673) 9.441 12.561 ( 5.105 0.000 0.603) 5.140 12.748 ( -8.421 0.000 -3.711) 9.202 12.857 ( 1.815 0.000 -3.820) 4.229 12.896 ( -4.169 0.000 5.894) 7.219 13.420 ( 11.020 0.000 -4.457) 11.887 13.522 ( 2.155 0.000 5.459) 5.869 13.665 ( 2.222 0.000 10.505) 10.737 13.737 ( 3.698 0.000 -3.700) 5.232 13.939 ( 1.910 0.000 3.704) 4.168 14.116 ( -11.180 0.000 -5.897) 12.640 14.179 ( 7.897 0.000 -7.027) 10.570 14.360 ( -13.896 0.000 12.086) 18.416 14.380 ( 3.448 0.000 -0.281) 3.459 14.472 ( -7.861 0.000 7.321) 10.742 15.276 ( 0.781 0.000 4.562) 4.628 15.325 ( 1.159 0.000 -11.917) 11.974 16.135 ( 0.657 0.000 3.927) 3.982 16.202 ( -1.804 0.000 -6.921) 7.152 16.752 ( 12.203 0.000 14.708) 19.111 17.090 ( -12.807 0.000 -16.022) 20.511 17.294 ( 3.578 0.000 -5.990) 6.978 17.303 ( -1.274 0.000 9.699) 9.783 17.732 ( 2.898 0.000 -4.445) 5.306 17.734 ( -0.007 0.000 5.757) 5.757 17.925 ( -1.054 0.000 2.389) 2.611 17.944 ( -1.923 0.000 -1.852) 2.670 18.303 ( 6.025 0.000 -4.504) 7.522 18.411 ( -7.119 0.000 3.374) 7.878 18.687 ( 9.394 0.000 3.379) 9.983 18.874 ( -5.088 0.000 -6.763) 8.464 19.147 ( 0.685 0.000 2.434) 2.529 19.157 ( 1.118 0.000 -0.700) 1.319 22.373 ( 1.594 0.000 2.931) 3.336 22.431 ( -2.865 0.000 -1.976) 3.480 22.710 ( 0.904 0.000 -1.668) 1.897 22.750 ( -3.564 0.000 0.855) 3.665 26.869 ( 7.372 0.000 -3.827) 8.306 26.966 ( -4.756 0.000 3.444) 5.872 28.021 ( 13.029 0.000 -11.186) 17.172 28.075 ( -0.556 0.000 19.647) 19.654 29.942 ( 1.541 0.000 -0.721) 1.702 29.972 ( -1.734 0.000 0.605) 1.837 30.226 ( 2.522 0.000 -0.995) 2.712 30.234 ( 1.022 0.000 0.939) 1.388 31.370 ( 1.866 0.000 1.674) 2.507 31.466 ( -6.001 0.000 -2.743) 6.598 31.843 ( 2.824 0.000 0.393) 2.851 31.894 ( -1.723 0.000 -1.179) 2.088 32.105 ( 8.305 0.000 -0.921) 8.356 32.199 ( 0.811 0.000 1.067) 1.340 32.592 ( 1.560 0.000 0.295) 1.588 32.723 ( -9.462 0.000 1.837) 9.639 33.115 ( 2.634 0.000 -0.660) 2.715 33.130 ( 0.843 0.000 3.927) 4.016 33.271 ( -0.508 0.000 -0.105) 0.518 33.293 ( -0.483 0.000 -3.001) 3.040 34.409 ( 14.105 0.000 2.430) 14.313 34.723 ( -14.262 0.000 -5.297) 15.214 34.884 ( 6.085 0.000 10.045) 11.744 35.074 ( -6.696 0.000 -9.118) 11.312 36.517 ( -5.090 0.000 12.427) 13.429 36.576 ( -2.339 0.000 -16.469) 16.634 37.660 ( -2.420 0.000 2.725) 3.644 37.664 ( -1.034 0.000 -3.461) 3.613======================= Grid point 113 (59/66) =======================q-point: ( 0.00 0.20 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 55Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.208 ( -5.157 11.482 -18.374) 22.272 2.208 ( 5.157 11.482 18.374) 22.272 2.498 ( 0.184 19.640 -12.492) 23.277 2.498 ( -0.184 19.640 12.492) 23.277 2.902 ( -2.091 -3.342 -2.963) 4.932 2.902 ( 2.091 -3.342 2.963) 4.932 2.996 ( -1.326 1.122 -11.192) 11.326 2.996 ( 1.326 1.122 11.192) 11.326 3.230 ( -0.650 -0.337 -2.403) 2.512 3.230 ( 0.650 -0.337 2.403) 2.512 3.344 ( -9.006 2.303 -6.267) 11.211 3.344 ( 9.006 2.303 6.267) 11.211 3.417 ( 2.754 6.283 -5.538) 8.816 3.417 ( -2.754 6.283 5.538) 8.816 3.717 ( -1.294 2.306 -2.594) 3.704 3.717 ( 1.294 2.306 2.594) 3.704 3.766 ( -2.653 5.028 -6.607) 8.716 3.766 ( 2.653 5.028 6.607) 8.716 3.937 ( 0.103 -0.923 -3.962) 4.070 3.937 ( -0.103 -0.923 3.962) 4.070 4.225 ( -0.416 7.529 -8.406) 11.292 4.225 ( 0.416 7.529 8.406) 11.292 4.407 ( -1.940 1.039 -3.218) 3.898 4.407 ( 1.940 1.039 3.218) 3.898 4.912 ( -0.076 1.318 -14.804) 14.863 4.912 ( 0.076 1.318 14.804) 14.863 5.655 ( -7.660 -7.928 -4.629) 11.956 5.655 ( 7.660 -7.928 4.629) 11.956 5.811 ( 7.652 -6.295 -15.097) 18.058 5.811 ( -7.652 -6.295 15.097) 18.058 6.165 ( -5.498 -3.708 -0.798) 6.679 6.165 ( 5.498 -3.708 0.798) 6.679 6.262 ( 7.090 -4.444 -11.166) 13.953 6.262 ( -7.090 -4.444 11.166) 13.953 6.614 ( 8.852 -14.558 -13.938) 22.012 6.614 ( -8.852 -14.558 13.938) 22.012 7.417 ( -6.081 1.866 -12.896) 14.380 7.417 ( 6.081 1.866 12.896) 14.380 7.503 ( -2.481 -7.814 -1.202) 8.286 7.503 ( 2.481 -7.814 1.202) 8.286 7.891 ( -8.149 -7.398 -7.239) 13.174 7.891 ( 8.149 -7.398 7.239) 13.174 8.088 ( 1.200 -0.280 -4.212) 4.389 8.088 ( -1.200 -0.280 4.212) 4.389 8.533 ( 7.347 7.710 -7.818) 13.211 8.533 ( -7.347 7.710 7.818) 13.211 8.908 ( -0.156 2.628 -2.740) 3.800 8.908 ( 0.156 2.628 2.740) 3.800 9.247 ( -4.875 6.367 -1.774) 8.213 9.247 ( 4.875 6.367 1.774) 8.213 9.643 ( -2.457 4.080 -2.403) 5.334 9.643 ( 2.457 4.080 2.403) 5.334 9.800 ( -1.179 7.668 -5.903) 9.749 9.800 ( 1.179 7.668 5.903) 9.749 10.121 ( -3.737 0.655 -4.513) 5.896 10.121 ( 3.737 0.655 4.513) 5.896 10.916 ( -0.588 2.700 -2.407) 3.664 10.916 ( 0.588 2.700 2.407) 3.664 11.205 ( -1.319 -6.237 -5.470) 8.399 11.205 ( 1.319 -6.237 5.470) 8.399 11.646 ( -0.359 0.185 -2.832) 2.861 11.646 ( 0.359 0.185 2.832) 2.861 11.888 ( -7.006 -2.774 0.042) 7.535 11.888 ( 7.006 -2.774 -0.042) 7.535 12.134 ( 0.170 0.389 -6.750) 6.764 12.134 ( -0.170 0.389 6.750) 6.764 12.336 ( -4.161 -9.746 -6.796) 12.589 12.336 ( 4.161 -9.746 6.796) 12.589 12.517 ( -2.787 -0.522 -9.816) 10.217 12.517 ( 2.787 -0.522 9.816) 10.217 12.815 ( 2.412 -6.514 -7.295) 10.073 12.815 ( -2.412 -6.514 7.295) 10.073 13.180 ( 3.847 13.621 -12.961) 19.191 13.180 ( -3.847 13.621 12.961) 19.191 13.360 ( 4.132 6.542 -4.581) 8.992 13.360 ( -4.132 6.542 4.581) 8.992 14.141 ( -1.130 5.215 -6.861) 8.691 14.141 ( 1.130 5.215 6.861) 8.691 14.592 ( -3.304 -4.356 -3.998) 6.773 14.592 ( 3.304 -4.356 3.998) 6.773 14.944 ( 13.108 -0.662 -6.837) 14.799 14.944 ( -13.108 -0.662 6.837) 14.799 15.154 ( 9.192 1.726 -8.368) 12.550 15.154 ( -9.192 1.726 8.368) 12.550 16.102 ( 4.548 3.530 -7.744) 9.650 16.102 ( -4.548 3.530 7.744) 9.650 16.428 ( -11.083 -3.278 -1.373) 11.639 16.428 ( 11.083 -3.278 1.373) 11.639 17.359 ( -4.253 2.321 -1.975) 5.232 17.359 ( 4.253 2.321 1.975) 5.232 17.644 ( 5.283 -3.749 -7.221) 9.701 17.644 ( -5.283 -3.749 7.221) 9.701 18.088 ( 1.200 1.266 -0.983) 2.002 18.088 ( -1.200 1.266 0.983) 2.002 18.301 ( -4.010 -3.067 -3.568) 6.182 18.301 ( 4.010 -3.067 3.568) 6.182 18.741 ( -0.475 0.664 -11.487) 11.516 18.741 ( 0.475 0.664 11.487) 11.516 19.106 ( -2.238 -4.645 -0.477) 5.178 19.106 ( 2.238 -4.645 0.477) 5.178 22.483 ( 5.853 3.005 -2.715) 7.118 22.483 ( -5.853 3.005 2.715) 7.118 22.883 ( 2.305 -2.726 -0.998) 3.707 22.883 ( -2.305 -2.726 0.998) 3.707 26.811 ( -11.828 2.850 -2.587) 12.439 26.811 ( 11.828 2.850 2.587) 12.439 27.149 ( -8.703 -4.273 1.263) 9.777 27.149 ( 8.703 -4.273 -1.263) 9.777 29.981 ( -1.938 0.958 -0.060) 2.162 29.981 ( 1.938 0.958 0.060) 2.162 30.088 ( -1.801 -0.386 -0.031) 1.842 30.088 ( 1.801 -0.386 0.031) 1.842 31.586 ( -3.479 -0.916 -1.189) 3.789 31.586 ( 3.479 -0.916 1.189) 3.789 31.722 ( -0.742 -1.211 -0.936) 1.701 31.722 ( 0.742 -1.211 0.936) 1.701 32.076 ( -1.559 11.257 -0.658) 11.383 32.076 ( 1.559 11.257 0.658) 11.383 32.798 ( 0.152 -5.108 -0.652) 5.152 32.798 ( -0.152 -5.108 0.652) 5.152 33.074 ( 0.488 0.348 -1.881) 1.974 33.074 ( -0.488 0.348 1.881) 1.974 33.227 ( 0.894 -1.778 -2.149) 2.929 33.227 ( -0.894 -1.778 2.149) 2.929 34.383 ( -4.661 1.865 -9.069) 10.365 34.383 ( 4.661 1.865 9.069) 10.365 35.282 ( -1.340 0.093 -2.956) 3.247 35.282 ( 1.340 0.093 2.956) 3.247 36.919 ( 4.380 -0.792 -4.332) 6.211 36.919 ( -4.380 -0.792 4.332) 6.211 37.863 ( 0.719 -4.692 -4.541) 6.569 37.863 ( -0.719 -4.692 4.541) 6.569======================= Grid point 115 (60/66) =======================q-point: ( 0.14 0.20 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 105Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.099 ( 5.519 10.759 -26.370) 29.010 2.393 ( 2.474 7.676 -4.696) 9.332 2.491 ( 5.136 17.643 -12.913) 22.459 2.616 ( 4.552 10.402 3.269) 11.816 2.802 ( -1.326 2.471 -13.342) 13.634 2.932 ( 2.457 -2.753 4.379) 5.727 3.005 ( 2.349 0.458 4.465) 5.066 3.037 ( 0.423 0.645 4.362) 4.430 3.123 ( -3.905 0.529 -3.579) 5.323 3.187 ( -1.842 -0.874 -1.301) 2.418 3.358 ( 3.440 4.264 -0.372) 5.492 3.433 ( 6.231 1.169 -3.660) 7.320 3.550 ( 15.270 8.378 5.546) 18.279 3.643 ( 6.318 7.845 1.186) 10.142 3.701 ( 4.808 0.124 1.442) 5.021 3.771 ( 7.447 2.471 -2.882) 8.359 3.828 ( 5.424 -1.769 2.357) 6.172 3.875 ( 0.577 -0.272 -5.322) 5.360 3.959 ( 10.893 7.458 3.717) 13.714 3.994 ( 6.794 2.215 0.500) 7.163 4.254 ( 5.937 8.516 6.454) 12.224 4.298 ( 3.258 3.872 8.971) 10.300 4.449 ( 4.382 -1.653 6.455) 7.975 4.569 ( 10.509 0.022 -0.864) 10.544 4.834 ( 1.354 3.179 -11.192) 11.713 5.005 ( 2.468 -0.310 8.427) 8.786 5.452 ( -10.564 -9.320 -1.324) 14.150 5.607 ( -16.274 -13.270 6.050) 21.853 5.766 ( -1.643 -7.032 5.415) 9.026 5.846 ( -1.190 -2.570 2.619) 3.858 6.135 ( 0.455 0.200 8.886) 8.900 6.168 ( -3.963 -4.577 -2.110) 6.412 6.235 ( 6.824 -1.848 -15.039) 16.618 6.414 ( 8.295 -4.930 0.067) 9.649 6.539 ( -6.880 -12.094 13.525) 19.404 6.723 ( 6.731 -9.847 -4.257) 12.665 7.184 ( -8.350 4.701 -9.078) 13.200 7.391 ( -3.965 5.182 -9.438) 11.474 7.562 ( 1.414 -6.699 4.781) 8.351 7.602 ( 2.665 -4.207 -7.719) 9.186 7.759 ( 0.672 -13.362 6.015) 14.669 8.026 ( -3.049 3.182 -0.435) 4.428 8.070 ( 4.316 -8.103 8.012) 12.185 8.110 ( 0.370 0.777 -1.737) 1.938 8.409 ( -8.650 6.329 6.592) 12.583 8.594 ( 2.234 6.689 -5.386) 8.874 8.796 ( -7.426 2.031 3.251) 8.357 8.912 ( -2.309 1.527 1.635) 3.215 9.221 ( 2.274 9.492 -1.199) 9.834 9.400 ( 8.203 2.714 0.983) 8.696 9.564 ( -2.498 1.141 -6.109) 6.698 9.659 ( -1.437 2.729 -1.868) 3.606 9.797 ( 3.722 6.255 -4.133) 8.370 9.877 ( -0.276 8.211 5.483) 9.877 10.013 ( -0.725 -2.018 1.223) 2.468 10.301 ( 8.694 4.070 1.829) 9.772 10.711 ( -14.924 3.842 -3.615) 15.829 10.771 ( -12.459 4.004 -0.673) 13.104 11.188 ( -0.848 -8.013 -3.130) 8.644 11.277 ( -0.690 -7.749 4.742) 9.111 11.594 ( -2.030 0.319 -5.340) 5.722 11.658 ( 1.928 -0.713 -3.554) 4.105 11.790 ( -3.011 -1.961 4.196) 5.524 11.973 ( -1.539 -2.631 -0.663) 3.119 12.050 ( -3.637 -4.864 -9.579) 11.342 12.128 ( -4.398 1.854 -2.017) 5.181 12.182 ( -0.352 2.665 3.345) 4.292 12.331 ( -5.539 -7.169 -1.227) 9.142 12.515 ( 5.473 -8.207 -1.819) 10.030 12.666 ( 5.510 2.312 1.687) 6.209 12.839 ( 0.544 -7.224 6.883) 9.993 12.891 ( 6.610 -4.396 -3.727) 8.770 13.116 ( -2.485 7.563 3.901) 8.866 13.278 ( 3.734 11.459 7.855) 14.386 13.358 ( 1.750 3.689 4.014) 5.725 13.484 ( 10.059 7.138 -4.305) 13.064 14.034 ( -6.038 1.655 -3.935) 7.395 14.172 ( -0.898 6.358 5.765) 8.629 14.446 ( -10.628 -7.483 2.604) 13.256 14.624 ( -5.555 -1.913 12.186) 13.529 14.723 ( -10.777 0.379 8.113) 13.495 14.834 ( -16.252 0.992 2.351) 16.451 15.173 ( 7.697 1.494 -5.389) 9.514 15.304 ( 7.355 0.434 -9.880) 12.325 16.138 ( 5.233 1.681 2.520) 6.046 16.251 ( 9.363 6.463 -4.332) 12.174 16.304 ( -1.675 -2.526 -0.197) 3.037 16.776 ( 19.300 -3.310 9.376) 21.711 17.271 ( -2.752 1.169 0.472) 3.027 17.492 ( 1.645 -1.069 5.167) 5.527 17.549 ( -1.991 -2.264 -0.347) 3.035 17.685 ( 2.964 -0.612 -6.570) 7.234 18.014 ( -4.385 0.731 0.058) 4.446 18.105 ( -0.607 0.913 -3.900) 4.052 18.214 ( -1.855 -1.447 -0.786) 2.480 18.373 ( 0.277 -2.675 6.261) 6.814 18.683 ( 1.324 -2.035 -13.069) 13.292 18.844 ( 4.511 1.443 2.796) 5.500 19.053 ( -1.753 -4.053 1.377) 4.625 19.150 ( 1.818 -2.131 -0.256) 2.812 22.385 ( -4.639 2.952 2.225) 5.932 22.544 ( 1.572 2.173 -2.387) 3.590 22.804 ( -5.470 -3.168 -0.016) 6.322 22.878 ( -2.108 -2.094 -1.131) 3.179 26.699 ( 0.543 3.609 -1.077) 3.805 27.018 ( -1.983 -3.172 1.869) 4.182 27.214 ( 20.460 -1.686 10.376) 23.003 27.386 ( 15.528 -4.684 -1.914) 16.332 29.944 ( -1.310 0.723 -0.258) 1.519 30.019 ( 0.638 1.355 -0.201) 1.511 30.081 ( 2.108 -1.052 -0.224) 2.367 30.138 ( 3.038 0.295 0.123) 3.055 31.497 ( -4.425 1.199 -1.678) 4.882 31.642 ( 1.582 -3.686 -1.762) 4.381 31.687 ( -1.457 0.419 2.361) 2.806 31.781 ( 3.404 -3.684 -0.124) 5.017 32.070 ( 1.829 12.952 -1.063) 13.123 32.131 ( 3.868 11.483 0.718) 12.138 32.726 ( -4.563 -4.907 3.053) 7.364 32.870 ( 3.544 -2.185 -0.098) 4.165 33.053 ( -0.725 0.146 0.033) 0.740 33.090 ( 0.154 1.569 0.025) 1.577 33.225 ( 0.173 -3.600 1.721) 3.994 33.260 ( 1.960 -1.288 0.647) 2.433 34.251 ( -2.883 4.352 -7.310) 8.982 34.527 ( 4.303 -1.487 9.279) 10.336 35.196 ( -5.000 0.427 -5.766) 7.644 35.286 ( -1.785 -0.766 -0.311) 1.967 36.786 ( -10.061 0.007 3.375) 10.612 36.906 ( -2.977 -2.607 -7.574) 8.545 37.792 ( -4.726 -3.602 -1.292) 6.081 37.827 ( -4.544 -3.685 -0.380) 5.863======================= Grid point 116 (61/66) =======================q-point: ( 0.29 0.20 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 105Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.960 ( -3.726 7.247 -31.665) 32.697 2.111 ( -13.453 8.822 -25.683) 30.306 2.550 ( 8.272 9.142 -10.014) 15.883 2.707 ( 4.487 4.781 1.263) 6.678 2.872 ( 2.921 0.646 4.487) 5.393 2.980 ( 1.036 0.190 -2.623) 2.826 3.033 ( 0.781 2.720 3.101) 4.198 3.075 ( 1.349 -0.244 4.526) 4.729 3.139 ( 3.223 1.080 0.868) 3.508 3.169 ( -1.045 -0.234 1.627) 1.948 3.379 ( 0.506 -3.901 1.107) 4.086 3.583 ( 2.272 -6.433 10.539) 12.555 3.654 ( 5.044 2.247 -12.914) 14.045 3.774 ( 4.468 1.129 0.010) 4.609 3.832 ( 6.781 1.199 -2.823) 7.442 3.920 ( 7.410 1.343 0.530) 7.549 4.021 ( 10.801 -0.326 11.092) 15.485 4.048 ( 15.050 9.853 -0.090) 17.989 4.179 ( 4.971 5.818 14.435) 16.338 4.242 ( 12.521 4.349 4.359) 13.953 4.404 ( 1.281 4.499 -8.304) 9.531 4.456 ( 8.285 4.800 11.007) 14.589 4.647 ( 11.245 -0.255 -18.752) 21.867 4.737 ( 19.181 -3.414 4.254) 19.941 4.962 ( 8.129 3.161 2.345) 9.032 5.089 ( 1.539 -7.450 -6.225) 9.830 5.274 ( -3.621 -11.391 7.084) 13.894 5.359 ( -2.322 -7.647 -3.668) 8.794 5.720 ( -8.246 -1.824 15.151) 17.346 5.848 ( -3.890 7.574 8.616) 12.113 5.994 ( -4.067 -9.421 -3.286) 10.775 6.216 ( -2.288 4.165 -10.265) 11.312 6.306 ( 2.836 4.712 6.367) 8.413 6.484 ( -4.492 -7.018 6.854) 10.789 6.530 ( 5.147 -6.651 -2.293) 8.717 6.818 ( 3.360 -4.136 3.498) 6.374 6.985 ( -8.875 8.392 -5.942) 13.584 7.254 ( -1.710 11.826 -11.444) 16.545 7.531 ( -3.366 -2.950 0.294) 4.486 7.617 ( 2.742 -6.973 -5.173) 9.105 7.882 ( 4.402 -8.033 3.257) 9.722 7.959 ( -4.527 0.199 0.538) 4.563 8.074 ( -0.584 -1.831 4.873) 5.238 8.188 ( 2.312 -3.206 5.051) 6.414 8.310 ( -3.446 3.318 0.978) 4.882 8.559 ( -2.848 3.677 -2.580) 5.319 8.702 ( -3.596 -2.112 2.587) 4.907 8.884 ( -1.323 -0.905 -0.976) 1.876 9.268 ( 2.419 10.705 0.814) 11.005 9.420 ( -5.148 0.621 -2.992) 5.987 9.543 ( -4.984 2.008 0.078) 5.374 9.624 ( 5.682 -4.496 -4.961) 8.782 9.764 ( -8.932 5.278 0.604) 10.393 9.861 ( 4.993 2.229 -4.335) 6.978 10.142 ( 7.596 9.545 4.934) 13.159 10.389 ( -11.569 5.278 2.466) 12.953 10.440 ( -5.664 3.720 1.626) 6.969 10.562 ( -0.130 -1.268 -1.163) 1.725 11.080 ( -8.246 -5.361 -3.143) 10.326 11.205 ( -8.116 -6.461 1.872) 10.541 11.495 ( -4.974 1.590 -2.385) 5.741 11.718 ( -5.014 4.264 -8.134) 10.464 11.729 ( 3.844 -4.608 -0.370) 6.012 11.884 ( -2.976 -2.739 -2.727) 4.878 11.928 ( 0.379 -2.308 -0.814) 2.477 12.137 ( 4.989 -2.503 -3.122) 6.395 12.211 ( -2.900 -8.330 -0.911) 8.867 12.293 ( 2.795 0.355 6.102) 6.721 12.604 ( 4.808 -6.576 -1.138) 8.225 12.748 ( 3.656 3.235 -1.088) 5.002 12.866 ( -1.931 -2.815 5.145) 6.174 12.960 ( 2.322 -0.406 -5.038) 5.563 13.133 ( 2.103 0.379 2.873) 3.581 13.438 ( 2.803 0.209 3.838) 4.757 13.451 ( 6.624 1.426 13.210) 14.846 13.642 ( 6.033 0.752 -4.983) 7.860 13.917 ( -2.204 -2.055 0.205) 3.020 14.201 ( 0.204 4.054 3.357) 5.268 14.260 ( -7.548 -5.158 0.114) 9.143 14.460 ( -14.228 4.733 9.307) 17.648 14.577 ( -10.149 -1.353 7.360) 12.609 14.667 ( -4.473 5.629 5.808) 9.243 15.240 ( 2.855 0.580 -4.186) 5.100 15.341 ( 3.275 -0.698 -11.437) 11.917 16.180 ( -1.004 2.824 -0.787) 3.099 16.310 ( 3.001 3.666 -7.325) 8.724 16.459 ( 10.693 2.279 7.955) 13.522 17.105 ( 4.768 -8.715 5.309) 11.264 17.261 ( 0.952 2.406 4.754) 5.412 17.385 ( -4.676 -1.206 -4.693) 6.734 17.654 ( 3.863 0.179 4.262) 5.755 17.710 ( 3.493 0.802 -4.899) 6.070 17.945 ( -2.778 0.306 1.225) 3.052 18.024 ( -4.138 0.191 -3.212) 5.242 18.235 ( 3.670 0.046 -2.271) 4.316 18.410 ( -0.209 -3.531 5.954) 6.925 18.619 ( 0.260 0.736 -7.711) 7.750 18.904 ( 1.376 -2.476 -4.558) 5.366 19.088 ( 3.007 0.165 4.260) 5.217 19.182 ( 1.807 1.463 -0.554) 2.390 22.352 ( -0.196 1.861 2.408) 3.050 22.521 ( -2.309 1.839 -1.498) 3.310 22.702 ( -3.885 -3.500 -1.157) 5.356 22.805 ( -4.411 -2.101 -0.457) 4.908 26.769 ( 6.494 2.755 -2.483) 7.478 26.995 ( -1.543 -2.003 2.114) 3.295 27.689 ( 16.173 -5.941 -0.313) 17.233 27.690 ( 16.410 -6.876 13.662) 22.432 29.930 ( 0.203 0.521 -0.444) 0.714 30.008 ( -1.265 0.398 0.086) 1.329 30.153 ( 4.512 -0.152 -0.523) 4.545 30.198 ( 2.704 0.487 0.360) 2.771 31.416 ( -2.604 2.957 -0.702) 4.002 31.586 ( -4.342 -1.071 -2.358) 5.055 31.724 ( 2.355 -2.557 1.952) 3.987 31.829 ( 1.319 -5.571 -0.884) 5.793 32.140 ( 6.058 12.894 -1.774) 14.357 32.247 ( 7.114 13.053 1.705) 14.963 32.656 ( -4.765 -0.934 4.545) 6.650 32.914 ( -1.079 3.566 1.888) 4.176 33.053 ( 0.631 -0.941 0.156) 1.144 33.087 ( 0.870 1.631 0.358) 1.883 33.244 ( 0.204 -4.833 1.093) 4.959 33.291 ( 1.023 -0.758 -0.889) 1.553 34.227 ( 4.487 3.064 -2.861) 6.140 34.662 ( 3.360 -4.365 11.206) 12.486 35.015 ( -9.151 0.745 -8.559) 12.552 35.205 ( -5.002 -2.036 -4.754) 7.195 36.609 ( -9.804 -0.188 5.540) 11.262 36.735 ( -6.976 -3.237 -12.779) 14.915 37.697 ( -4.064 -1.994 -0.063) 4.527 37.722 ( -4.440 -1.892 -2.244) 5.323======================= Grid point 117 (62/66) =======================q-point: ( 0.43 0.20 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 105Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.711 ( -3.643 9.794 -12.718) 16.460 1.761 ( -7.896 11.760 -14.560) 20.314 2.670 ( 7.435 2.256 -4.311) 8.886 2.751 ( -1.839 1.098 1.728) 2.752 2.926 ( 1.220 0.392 3.935) 4.139 2.966 ( -0.397 1.842 -3.467) 3.946 3.070 ( 2.564 3.030 -1.090) 4.116 3.114 ( -1.977 1.751 3.082) 4.059 3.161 ( 0.408 0.529 2.080) 2.185 3.178 ( 0.761 1.299 -1.278) 1.975 3.415 ( 1.733 -11.097 4.227) 12.001 3.504 ( -4.975 -11.765 -3.199) 13.168 3.846 ( 10.214 2.764 1.622) 10.705 3.913 ( 7.476 -1.234 1.415) 7.708 3.975 ( 7.468 -2.480 0.418) 7.880 4.062 ( 5.209 -0.259 -0.779) 5.273 4.147 ( -2.229 2.588 1.607) 3.775 4.164 ( -1.688 -1.154 1.302) 2.424 4.246 ( -1.321 -3.136 -3.999) 5.251 4.326 ( -5.191 -5.576 5.548) 9.424 4.449 ( 8.388 4.007 9.802) 13.509 4.633 ( 3.218 6.129 -3.622) 7.813 4.769 ( -10.019 -8.177 1.982) 13.083 4.800 ( 0.338 0.202 -7.251) 7.262 5.114 ( 16.957 0.023 -3.089) 17.236 5.226 ( 19.339 1.253 -2.828) 19.585 5.414 ( 0.975 -1.139 -0.938) 1.769 5.568 ( -14.970 7.316 10.012) 19.439 5.616 ( 23.364 -5.099 -7.530) 25.071 5.821 ( 4.648 11.612 -2.643) 12.784 5.962 ( -10.894 0.533 17.203) 20.369 6.066 ( -8.837 7.589 -2.846) 11.991 6.296 ( 2.553 2.043 -3.284) 4.635 6.414 ( -6.831 -5.015 2.672) 8.886 6.621 ( 5.217 -1.285 -3.473) 6.397 6.741 ( -10.873 5.457 4.106) 12.840 6.974 ( 9.035 3.117 1.594) 9.689 7.156 ( -5.333 8.646 -6.579) 12.103 7.507 ( 1.803 -1.906 0.360) 2.648 7.587 ( -3.142 -1.290 -4.334) 5.507 7.898 ( -1.127 -2.329 2.905) 3.890 7.918 ( -0.419 1.723 -1.139) 2.108 8.193 ( 7.331 -7.901 4.009) 11.500 8.235 ( -0.849 -3.255 6.933) 7.706 8.283 ( 2.291 2.409 -3.563) 4.873 8.440 ( -8.010 -0.679 -4.314) 9.123 8.703 ( 1.763 -6.651 4.817) 8.400 8.808 ( -4.793 -4.716 -4.475) 8.077 9.302 ( 0.450 5.670 -1.515) 5.887 9.370 ( -3.398 2.825 2.314) 4.989 9.397 ( 0.277 4.937 1.478) 5.161 9.551 ( -7.908 6.658 -4.314) 11.201 9.784 ( 7.691 -4.741 -1.714) 9.196 9.907 ( -1.465 0.530 -1.956) 2.500 10.134 ( -2.463 8.279 1.341) 8.741 10.242 ( -9.259 7.132 -1.023) 11.732 10.464 ( 11.627 4.593 9.983) 15.999 10.697 ( 2.831 -5.055 -3.582) 6.812 10.869 ( -5.870 1.450 0.307) 6.054 11.016 ( -10.260 -4.643 -2.727) 11.587 11.439 ( 0.038 2.119 2.891) 3.584 11.528 ( -6.091 4.945 -6.191) 9.994 11.826 ( 4.300 -2.354 -2.943) 5.718 11.859 ( -0.933 -1.275 1.490) 2.172 11.983 ( 4.270 -10.757 2.297) 11.799 12.097 ( -5.272 -10.966 -1.796) 12.300 12.280 ( 7.855 -3.283 -5.057) 9.902 12.348 ( -1.569 -4.315 4.463) 6.403 12.698 ( 4.712 1.092 1.559) 5.082 12.782 ( -1.520 0.271 -1.679) 2.281 12.861 ( 1.225 1.988 3.444) 4.161 12.929 ( -2.258 2.642 -3.620) 5.018 13.243 ( 8.212 -5.961 0.674) 10.170 13.419 ( -7.922 -6.849 1.902) 10.644 13.616 ( 3.112 -6.877 7.506) 10.645 13.662 ( 1.403 -5.576 -2.947) 6.461 13.961 ( 3.099 0.955 2.554) 4.128 14.076 ( -7.501 -1.376 -2.002) 7.884 14.279 ( 5.577 3.245 -4.111) 7.651 14.367 ( -2.129 5.506 2.243) 6.315 14.469 ( -2.444 2.611 8.070) 8.827 14.581 ( -7.796 9.951 3.513) 13.120 15.264 ( 0.684 -0.794 2.673) 2.871 15.308 ( 0.545 -1.463 -10.498) 10.614 16.189 ( 1.698 4.553 3.829) 6.186 16.269 ( -2.004 4.986 -7.352) 9.106 16.737 ( 10.860 -0.834 12.587) 16.646 17.004 ( -8.648 -6.761 -10.782) 15.386 17.322 ( 0.610 2.540 3.236) 4.159 17.335 ( 0.377 2.373 -1.625) 2.901 17.720 ( 0.901 -0.911 4.357) 4.542 17.740 ( 1.535 -0.189 -3.876) 4.173 17.919 ( -0.911 -0.114 2.174) 2.360 17.942 ( -2.021 -0.122 -2.645) 3.331 18.302 ( 4.592 -0.261 -2.576) 5.272 18.381 ( -4.981 -2.671 3.271) 6.530 18.692 ( 7.421 0.760 2.263) 7.796 18.842 ( -4.406 -2.678 -5.452) 7.504 19.171 ( 2.556 2.652 2.717) 4.577 19.203 ( 0.383 2.926 -1.121) 3.157 22.388 ( 2.131 1.575 2.072) 3.364 22.453 ( -3.368 2.047 -1.346) 4.164 22.666 ( 1.186 -3.779 -1.278) 4.162 22.718 ( -4.165 -2.943 0.485) 5.123 26.884 ( 6.371 1.420 -3.192) 7.265 26.964 ( -3.609 -0.227 2.822) 4.587 27.927 ( 10.705 -7.706 -8.409) 15.642 27.960 ( 1.218 -9.231 14.667) 17.373 29.946 ( 1.467 0.253 -0.238) 1.508 29.978 ( -1.771 0.158 0.086) 1.780 30.223 ( 2.562 -0.059 -0.644) 2.642 30.237 ( 0.674 0.202 0.637) 0.949 31.406 ( 1.549 3.296 1.259) 3.854 31.481 ( -4.515 1.641 -2.311) 5.331 31.779 ( 2.188 -4.369 1.471) 5.103 31.822 ( -1.127 -5.339 -1.320) 5.614 32.265 ( 7.624 11.401 -3.034) 14.047 32.352 ( -0.976 11.455 3.307) 11.962 32.651 ( 4.430 5.993 2.779) 7.954 32.814 ( -8.629 8.365 -0.105) 12.018 33.087 ( 2.411 -2.169 0.413) 3.269 33.121 ( -0.254 -1.002 1.749) 2.032 33.248 ( 1.025 -2.448 0.655) 2.734 33.286 ( -0.723 -0.863 -2.418) 2.668 34.398 ( 12.413 -0.653 2.846) 12.751 34.680 ( -12.035 -4.650 -1.053) 12.945 34.872 ( 3.818 -0.281 5.164) 6.428 35.044 ( -6.862 -2.830 -9.143) 11.777 36.507 ( -4.735 -0.823 9.721) 10.844 36.553 ( -2.399 -1.975 -13.516) 13.869 37.644 ( -1.635 -1.221 1.133) 2.334 37.651 ( -1.380 -1.192 -2.061) 2.751======================= Grid point 121 (63/66) =======================q-point: ( 0.00 0.40 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 55Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.483 ( -5.076 13.388 -11.128) 18.134 2.483 ( 5.076 13.388 11.128) 18.134 2.704 ( -4.242 -5.498 -6.361) 9.417 2.704 ( 4.242 -5.498 6.361) 9.417 2.848 ( -1.108 3.061 -2.523) 4.118 2.848 ( 1.108 3.061 2.523) 4.118 3.053 ( -0.680 2.669 -7.178) 7.688 3.053 ( 0.680 2.669 7.178) 7.688 3.221 ( 2.077 -0.523 -2.630) 3.392 3.221 ( -2.077 -0.523 2.630) 3.392 3.350 ( -2.531 -0.624 -5.861) 6.415 3.350 ( 2.531 -0.624 5.861) 6.415 3.569 ( 0.701 5.848 -6.935) 9.098 3.569 ( -0.701 5.848 6.935) 9.098 3.698 ( 0.771 -1.202 -2.963) 3.289 3.698 ( -0.771 -1.202 2.963) 3.289 3.871 ( -2.908 -1.041 -2.083) 3.726 3.871 ( 2.908 -1.041 2.083) 3.726 3.952 ( -1.094 2.376 -4.383) 5.105 3.952 ( 1.094 2.376 4.383) 5.105 4.442 ( 0.143 6.500 -2.865) 7.105 4.442 ( -0.143 6.500 2.865) 7.105 4.582 ( -1.358 17.629 -3.526) 18.029 4.582 ( 1.358 17.629 3.526) 18.029 4.944 ( 0.453 5.404 -6.096) 8.159 4.944 ( -0.453 5.404 6.096) 8.159 5.351 ( 6.382 -20.948 -12.086) 25.013 5.351 ( -6.382 -20.948 12.086) 25.013 5.723 ( 6.615 -1.520 -5.997) 9.057 5.723 ( -6.615 -1.520 5.997) 9.057 6.022 ( 5.132 -8.145 -8.261) 12.686 6.022 ( -5.132 -8.145 8.261) 12.686 6.199 ( 5.859 -1.183 -5.295) 7.985 6.199 ( -5.859 -1.183 5.295) 7.985 6.363 ( 6.335 -6.834 -10.262) 13.861 6.363 ( -6.335 -6.834 10.262) 13.861 7.294 ( -0.265 -6.480 -1.910) 6.761 7.294 ( 0.265 -6.480 1.910) 6.761 7.547 ( -1.749 7.671 -11.133) 13.632 7.547 ( 1.749 7.671 11.133) 13.632 7.719 ( -5.189 -8.494 -10.398) 14.394 7.719 ( 5.189 -8.494 10.398) 14.394 8.105 ( 0.819 0.509 -3.248) 3.388 8.105 ( -0.819 0.509 3.248) 3.388 8.694 ( 6.979 7.930 -9.033) 13.899 8.694 ( -6.979 7.930 9.033) 13.899 8.868 ( 6.349 -5.969 -8.762) 12.358 8.868 ( -6.349 -5.969 8.762) 12.358 9.324 ( -0.546 1.217 -0.939) 1.631 9.324 ( 0.546 1.217 0.939) 1.631 9.766 ( -0.461 4.930 -2.769) 5.673 9.766 ( 0.461 4.930 2.769) 5.673 10.000 ( -3.912 9.312 -3.640) 10.736 10.000 ( 3.912 9.312 3.640) 10.736 10.132 ( -7.982 -0.683 -1.158) 8.094 10.132 ( 7.982 -0.683 1.158) 8.094 10.969 ( 1.901 2.619 -1.243) 3.466 10.969 ( -1.901 2.619 1.243) 3.466 11.076 ( -1.611 -5.620 -3.043) 6.590 11.076 ( 1.611 -5.620 3.043) 6.590 11.659 ( -0.290 0.814 -1.613) 1.830 11.659 ( 0.290 0.814 1.613) 1.830 11.849 ( -3.556 -0.988 -0.035) 3.691 11.849 ( 3.556 -0.988 0.035) 3.691 12.116 ( -1.658 -0.078 -6.684) 6.887 12.116 ( 1.658 -0.078 6.684) 6.887 12.177 ( 1.528 -5.513 -6.959) 9.008 12.177 ( -1.528 -5.513 6.959) 9.008 12.503 ( -0.553 -0.631 -9.498) 9.535 12.503 ( 0.553 -0.631 9.498) 9.535 12.680 ( 0.709 -4.592 -7.004) 8.405 12.680 ( -0.709 -4.592 7.004) 8.405 13.412 ( 2.886 6.773 -8.966) 11.601 13.412 ( -2.886 6.773 8.966) 11.601 13.495 ( 5.089 4.515 -5.685) 8.865 13.495 ( -5.089 4.515 5.685) 8.865 14.269 ( -1.348 6.495 -6.763) 9.473 14.269 ( 1.348 6.495 6.763) 9.473 14.462 ( -3.378 -7.155 -5.422) 9.592 14.462 ( 3.378 -7.155 5.422) 9.592 14.937 ( 6.505 -0.065 -2.779) 7.074 14.937 ( -6.505 -0.065 2.779) 7.074 15.190 ( 1.957 1.306 -3.187) 3.961 15.190 ( -1.957 1.306 3.187) 3.961 16.204 ( 2.262 5.938 -6.274) 8.930 16.204 ( -2.262 5.938 6.274) 8.930 16.334 ( -7.755 -5.627 -1.664) 9.725 16.334 ( 7.755 -5.627 1.664) 9.725 17.420 ( 4.101 3.349 -1.946) 5.641 17.420 ( -4.101 3.349 1.946) 5.641 17.543 ( 5.644 -4.994 -5.315) 9.222 17.543 ( -5.644 -4.994 5.315) 9.222 18.130 ( -1.668 2.823 -2.234) 3.967 18.130 ( 1.668 2.823 2.234) 3.967 18.216 ( -2.151 -4.391 -1.990) 5.279 18.216 ( 2.151 -4.391 1.990) 5.279 18.800 ( -2.242 4.257 -5.582) 7.369 18.800 ( 2.242 4.257 5.582) 7.369 18.989 ( -2.364 -5.591 -1.661) 6.293 18.989 ( 2.364 -5.591 1.661) 6.293 22.549 ( 3.085 2.558 -1.214) 4.187 22.549 ( -3.085 2.558 1.214) 4.187 22.822 ( 1.905 -2.412 -0.778) 3.170 22.822 ( -1.905 -2.412 0.778) 3.170 26.895 ( -8.826 4.835 -1.168) 10.131 26.895 ( 8.826 4.835 1.168) 10.131 27.038 ( -7.498 -5.672 0.117) 9.402 27.038 ( 7.498 -5.672 -0.117) 9.402 30.016 ( -2.578 2.263 -0.208) 3.437 30.016 ( 2.578 2.263 0.208) 3.437 30.063 ( -2.571 -1.981 -0.262) 3.256 30.063 ( 2.571 -1.981 0.262) 3.256 31.575 ( -1.237 -0.142 -0.275) 1.276 31.575 ( 1.237 -0.142 0.275) 1.276 31.713 ( 0.571 -0.019 -0.751) 0.943 31.713 ( -0.571 -0.019 0.751) 0.943 32.314 ( -1.220 9.912 -0.366) 9.994 32.314 ( 1.220 9.912 0.366) 9.994 32.655 ( -0.996 -7.464 -0.282) 7.536 32.655 ( 0.996 -7.464 0.282) 7.536 33.085 ( 0.943 0.565 -1.229) 1.649 33.085 ( -0.943 0.565 1.229) 1.649 33.191 ( 0.797 -1.304 -0.751) 1.703 33.191 ( -0.797 -1.304 0.751) 1.703 34.420 ( -1.665 1.224 -3.321) 3.912 34.420 ( 1.665 1.224 3.321) 3.912 35.283 ( -0.631 0.004 -1.199) 1.355 35.283 ( 0.631 0.004 1.199) 1.355 36.903 ( 1.527 -0.507 -1.915) 2.501 36.903 ( -1.527 -0.507 1.915) 2.501 37.776 ( 0.400 -2.710 -1.103) 2.954 37.776 ( -0.400 -2.710 1.103) 2.954======================= Grid point 123 (64/66) =======================q-point: ( 0.14 0.40 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 105Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.367 ( -0.032 13.467 -18.712) 23.055 2.567 ( -4.927 0.879 -10.928) 12.020 2.673 ( 5.443 2.504 -1.938) 6.297 2.780 ( -1.779 7.557 -7.019) 10.467 2.823 ( 2.422 -3.226 -2.797) 4.909 2.861 ( 2.163 -1.873 3.387) 4.434 3.030 ( 2.442 2.888 0.095) 3.784 3.077 ( -1.054 -0.092 3.110) 3.285 3.161 ( -1.357 2.227 -0.401) 2.638 3.169 ( -0.636 0.240 -3.303) 3.372 3.392 ( 3.134 0.068 -0.074) 3.135 3.426 ( 2.919 -2.588 -0.541) 3.939 3.696 ( 4.943 3.146 2.763) 6.478 3.705 ( 3.685 3.253 8.270) 9.620 3.754 ( 4.255 0.761 11.022) 11.839 3.817 ( 11.763 1.134 3.423) 12.303 3.861 ( 5.671 3.032 -7.227) 9.673 3.949 ( 13.017 1.685 0.112) 13.126 4.000 ( 3.261 3.243 -3.100) 5.546 4.091 ( 12.986 0.949 3.076) 13.379 4.391 ( -4.735 7.789 4.122) 10.004 4.483 ( 1.788 1.843 1.823) 3.149 4.546 ( 0.643 5.714 -5.898) 8.238 4.643 ( 4.486 13.960 0.140) 14.664 4.917 ( 1.371 4.515 -3.374) 5.801 4.953 ( 1.967 -0.120 -3.047) 3.629 5.173 ( -11.254 -13.108 5.455) 18.117 5.298 ( -5.479 -16.646 -9.588) 19.975 5.669 ( -2.145 -0.141 6.660) 6.999 5.789 ( -0.852 -7.648 1.118) 7.776 6.010 ( -1.642 2.618 12.770) 13.139 6.171 ( 9.166 -4.217 3.156) 10.572 6.238 ( 8.533 2.520 -2.286) 9.186 6.307 ( 3.590 -5.611 3.246) 7.410 6.387 ( 2.170 -0.895 8.884) 9.189 6.497 ( 12.185 -10.072 -9.280) 18.331 7.220 ( -4.150 -0.529 -2.497) 4.872 7.325 ( 1.464 -11.645 -0.947) 11.774 7.480 ( 1.175 5.203 -8.188) 9.772 7.569 ( -3.262 -3.682 -8.748) 10.036 7.654 ( 2.835 6.770 7.676) 10.620 7.860 ( 2.897 -11.094 8.420) 14.225 8.081 ( -1.059 2.266 -2.524) 3.554 8.119 ( 0.477 -1.081 -0.367) 1.237 8.566 ( -10.586 8.130 8.484) 15.815 8.692 ( -6.180 -0.088 1.564) 6.375 8.782 ( -3.268 0.723 0.597) 3.400 8.886 ( -0.095 -4.884 -4.797) 6.847 9.343 ( 3.451 2.625 -4.330) 6.128 9.388 ( 5.685 -1.992 -3.044) 6.750 9.694 ( -3.808 5.123 -5.195) 8.230 9.739 ( -2.879 2.899 -3.129) 5.146 9.910 ( -4.230 8.061 -0.232) 9.106 10.039 ( -1.550 3.082 1.121) 3.628 10.128 ( 5.488 10.087 5.839) 12.882 10.303 ( 7.140 -4.031 2.414) 8.547 10.832 ( -12.197 7.915 1.188) 14.588 10.877 ( -8.070 6.036 -3.063) 10.533 11.012 ( -3.045 -8.391 -1.794) 9.105 11.059 ( -5.380 -11.772 2.033) 13.102 11.608 ( -0.730 0.621 -4.745) 4.841 11.628 ( -2.901 -0.774 -2.665) 4.015 11.804 ( -1.047 2.400 2.088) 3.349 11.884 ( -1.469 -5.204 -0.389) 5.422 12.041 ( -1.386 3.959 -4.353) 6.045 12.121 ( -3.147 -0.321 -0.522) 3.206 12.155 ( -2.393 -5.579 -1.483) 6.249 12.178 ( -1.138 -6.136 5.114) 8.068 12.464 ( 1.654 4.463 0.768) 4.822 12.632 ( 4.231 -10.472 4.142) 12.030 12.721 ( 7.177 2.509 1.149) 7.689 12.794 ( 6.363 -4.513 3.063) 8.381 13.318 ( -5.595 9.035 1.612) 10.749 13.398 ( -4.549 1.663 7.385) 8.832 13.503 ( 2.799 6.620 -2.183) 7.512 13.580 ( 6.234 0.358 -7.503) 9.762 14.096 ( -11.387 4.754 -2.350) 12.562 14.233 ( -10.694 -6.674 2.460) 12.844 14.376 ( 0.623 7.103 1.488) 7.284 14.534 ( -0.532 -6.344 7.281) 9.672 14.755 ( -10.813 2.454 8.597) 14.030 14.816 ( -12.967 -2.722 4.545) 14.008 15.233 ( 5.678 3.863 -5.941) 9.081 15.297 ( 5.304 -1.670 -6.602) 8.632 16.183 ( 3.614 2.545 1.618) 4.707 16.242 ( 0.049 -3.111 0.231) 3.120 16.433 ( 13.021 10.491 -1.850) 16.823 16.648 ( 16.825 -9.133 3.996) 19.557 17.316 ( -4.383 3.065 4.179) 6.788 17.398 ( -6.059 -4.989 4.393) 8.995 17.579 ( 7.353 2.962 -4.085) 8.918 17.646 ( 6.185 -3.074 -6.895) 9.760 18.053 ( -4.184 3.048 -1.174) 5.308 18.113 ( -3.560 -1.414 -3.033) 4.886 18.196 ( 0.761 1.188 3.057) 3.367 18.276 ( 1.127 -5.603 4.315) 7.162 18.716 ( -1.246 5.035 -6.730) 8.496 18.836 ( -0.211 -4.421 -3.831) 5.854 19.003 ( 4.376 1.710 3.620) 5.932 19.082 ( 5.054 -4.263 0.833) 6.665 22.470 ( -4.679 4.946 1.298) 6.931 22.557 ( -1.767 -2.203 -0.282) 2.838 22.764 ( -3.774 0.611 -0.667) 3.881 22.817 ( -1.866 -3.450 -1.306) 4.134 26.801 ( -0.223 5.913 -0.476) 5.936 26.925 ( -1.425 -5.647 0.548) 5.850 27.206 ( 17.110 1.444 4.789) 17.826 27.277 ( 15.069 -5.046 0.528) 15.900 29.973 ( -1.503 2.107 -0.319) 2.608 30.020 ( -1.586 -1.891 -0.284) 2.484 30.085 ( 4.078 1.912 -0.025) 4.504 30.126 ( 3.554 -1.520 0.251) 3.874 31.537 ( -1.956 2.501 -1.270) 3.420 31.589 ( 0.407 -2.265 -1.610) 2.808 31.698 ( -1.401 0.763 1.805) 2.409 31.724 ( 0.455 -1.862 0.139) 1.922 32.317 ( 1.799 10.201 0.241) 10.361 32.378 ( 4.790 8.778 0.728) 10.026 32.623 ( -0.388 -2.624 1.885) 3.254 32.746 ( 6.341 -9.256 -0.414) 11.227 33.067 ( -1.454 1.362 1.855) 2.722 33.108 ( 0.727 -1.750 1.468) 2.397 33.176 ( -0.486 1.307 0.493) 1.479 33.225 ( 2.089 -2.273 0.094) 3.088 34.364 ( -2.405 5.982 -0.514) 6.468 34.472 ( 0.917 -4.055 5.335) 6.764 35.217 ( -4.396 1.671 -4.695) 6.645 35.257 ( -2.911 -1.917 -2.443) 4.256 36.797 ( -8.491 1.323 -0.248) 8.597 36.843 ( -5.877 -3.015 -4.539) 8.015 37.733 ( -3.042 -1.292 -0.778) 3.395 37.751 ( -2.485 -2.831 -1.718) 4.140======================= Grid point 124 (65/66) =======================q-point: ( 0.29 0.40 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 105Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.170 ( -7.209 11.329 -20.148) 24.213 2.290 ( -10.393 3.379 -19.301) 22.180 2.711 ( 0.079 4.986 -5.202) 7.206 2.747 ( 2.980 0.918 -2.650) 4.093 2.883 ( 2.152 -0.183 1.315) 2.529 2.913 ( 1.869 -4.646 3.078) 5.879 3.086 ( 1.858 1.644 3.020) 3.909 3.095 ( 1.059 0.277 1.754) 2.068 3.159 ( 0.255 1.602 0.192) 1.633 3.190 ( 0.884 1.478 2.158) 2.761 3.340 ( -4.619 -0.120 -3.093) 5.560 3.397 ( -6.376 -7.168 -2.412) 9.892 3.800 ( 5.207 3.292 4.225) 7.470 3.812 ( 6.969 6.432 -1.896) 9.671 3.872 ( 4.848 2.501 -2.634) 6.058 4.001 ( 1.896 5.110 -3.218) 6.329 4.030 ( 8.589 3.207 16.212) 18.625 4.092 ( 5.795 -3.850 6.101) 9.253 4.171 ( 0.384 -4.563 -0.047) 4.580 4.317 ( -7.333 -5.945 0.171) 9.442 4.488 ( 6.712 -0.505 7.073) 9.764 4.548 ( 25.884 -1.741 -3.339) 26.157 4.558 ( 2.195 8.624 -6.219) 10.857 4.769 ( 5.892 -4.218 0.662) 7.277 4.995 ( 0.789 4.075 -8.383) 9.355 5.048 ( 11.319 2.690 -5.573) 12.901 5.112 ( 14.991 2.514 0.834) 15.223 5.246 ( 7.877 -6.386 -2.163) 10.368 5.655 ( -3.496 -1.785 8.091) 8.993 5.762 ( -1.616 -10.805 3.749) 11.550 6.106 ( 3.591 15.958 9.136) 18.736 6.281 ( -2.851 2.091 0.077) 3.536 6.339 ( 0.248 -2.627 0.099) 2.641 6.391 ( 3.608 -7.498 7.512) 11.211 6.522 ( 7.570 7.753 4.515) 11.738 6.686 ( 8.810 -7.235 -2.612) 11.696 7.117 ( -3.826 5.964 -5.109) 8.736 7.330 ( 0.112 -11.254 -2.786) 11.595 7.501 ( 0.137 1.467 -7.295) 7.442 7.517 ( 4.969 0.328 -0.818) 5.046 7.741 ( 2.762 2.162 4.183) 5.459 7.912 ( -0.934 -9.633 3.925) 10.444 8.034 ( -2.128 3.271 -0.605) 3.949 8.122 ( -0.760 -3.894 2.745) 4.824 8.429 ( -6.136 6.755 3.108) 9.641 8.561 ( -6.787 -5.149 4.611) 9.687 8.700 ( -5.984 4.425 -2.809) 7.955 8.820 ( -4.569 -5.594 -2.711) 7.715 9.380 ( 3.780 3.259 -7.359) 8.892 9.471 ( 4.697 -5.320 -6.783) 9.817 9.580 ( -5.181 4.907 -0.695) 7.169 9.622 ( -7.237 2.664 -1.980) 7.962 9.851 ( -2.487 9.823 2.463) 10.428 10.030 ( 0.119 3.671 -1.437) 3.944 10.250 ( 2.226 2.438 6.001) 6.849 10.408 ( 2.230 -4.902 1.140) 5.504 10.612 ( -8.263 14.294 2.245) 16.662 10.674 ( -9.682 11.028 -1.580) 14.760 10.913 ( -5.395 -10.191 -3.107) 11.942 10.950 ( -5.807 -15.975 1.126) 17.035 11.574 ( -0.282 3.010 -1.051) 3.201 11.632 ( 4.775 -3.308 -0.625) 5.843 11.792 ( -5.896 1.598 -1.433) 6.275 11.811 ( 0.692 0.383 0.467) 0.919 11.981 ( -4.573 4.127 -3.835) 7.256 12.065 ( -5.808 -2.726 2.046) 6.734 12.081 ( 0.997 -4.013 -2.703) 4.940 12.162 ( -2.988 -10.417 4.108) 11.590 12.544 ( 4.888 4.737 0.545) 6.829 12.707 ( 1.907 -8.949 0.651) 9.173 12.872 ( 5.354 2.347 2.055) 6.196 12.916 ( 4.377 -2.382 -0.046) 4.983 13.249 ( -1.295 8.480 0.083) 8.578 13.385 ( -1.249 -3.309 7.062) 7.898 13.527 ( -0.952 2.586 1.752) 3.266 13.584 ( -2.494 -4.022 -5.766) 7.459 13.934 ( -1.784 3.857 1.969) 4.684 14.061 ( -6.308 -7.802 3.652) 10.677 14.404 ( -1.558 7.555 0.997) 7.779 14.510 ( -6.753 -2.706 8.375) 11.094 14.606 ( -7.712 5.864 5.832) 11.308 14.702 ( -0.857 -2.091 4.481) 5.019 15.266 ( 2.104 1.961 -7.154) 7.711 15.314 ( 1.678 -2.110 -9.209) 9.596 16.248 ( 2.109 3.379 -0.898) 4.083 16.310 ( 5.093 -2.396 -1.722) 5.886 16.616 ( 6.773 11.317 1.224) 13.245 16.872 ( 3.740 -12.670 0.159) 13.211 17.324 ( 1.210 2.902 6.830) 7.519 17.365 ( 0.214 -1.027 1.997) 2.256 17.665 ( 2.944 1.244 -0.971) 3.340 17.702 ( 3.398 -1.675 -5.141) 6.386 17.974 ( -3.177 2.326 -0.441) 3.962 18.016 ( -3.924 -1.215 -3.252) 5.239 18.244 ( 2.380 1.434 1.884) 3.357 18.312 ( -0.025 -4.888 4.303) 6.512 18.684 ( 1.509 5.186 -3.995) 6.718 18.808 ( 0.138 -6.114 -4.026) 7.322 19.130 ( 5.620 3.067 2.824) 6.998 19.182 ( 4.596 -1.470 0.284) 4.834 22.417 ( -1.003 4.351 0.941) 4.563 22.513 ( -1.692 -3.742 -0.201) 4.112 22.672 ( -4.916 2.012 -0.980) 5.401 22.742 ( -4.821 -3.733 -0.768) 6.146 26.847 ( 4.353 4.414 -1.164) 6.307 26.935 ( 1.265 -3.800 0.654) 4.058 27.567 ( 14.313 -3.337 7.382) 16.446 27.576 ( 14.198 -3.920 0.236) 14.731 29.953 ( -0.401 1.669 -0.362) 1.754 29.992 ( -1.175 -1.762 -0.315) 2.142 30.168 ( 4.107 1.430 -0.067) 4.349 30.195 ( 3.097 -0.871 0.261) 3.228 31.497 ( -1.121 4.427 -1.072) 4.691 31.569 ( -1.048 -1.738 -2.721) 3.394 31.687 ( -0.930 -0.313 2.584) 2.764 31.728 ( -0.231 -3.817 0.033) 3.824 32.379 ( 4.121 9.496 0.251) 10.355 32.483 ( 3.505 3.162 3.062) 5.627 32.680 ( 5.866 7.851 2.053) 10.013 32.891 ( 7.717 -7.059 1.273) 10.536 33.050 ( -1.219 1.093 1.341) 2.117 33.116 ( -1.056 -5.549 2.227) 6.072 33.172 ( -0.372 5.160 -0.361) 5.186 33.258 ( 0.938 -2.770 -0.464) 2.961 34.341 ( -0.031 7.869 2.792) 8.350 34.522 ( 0.037 -8.676 8.377) 12.061 35.059 ( -7.497 3.482 -8.195) 11.640 35.141 ( -6.081 -3.969 -6.648) 9.845 36.616 ( -8.817 1.165 -0.013) 8.893 36.662 ( -7.744 -3.239 -7.074) 10.977 37.667 ( -2.862 -0.573 -0.971) 3.076 37.680 ( -3.107 -1.687 -1.947) 4.036======================= Grid point 125 (66/66) =======================q-point: ( 0.43 0.40 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 105Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.970 ( -3.166 12.162 -5.276) 13.629 2.022 ( -5.979 9.034 -11.956) 16.134 2.714 ( 1.947 1.781 -1.887) 3.244 2.747 ( -1.358 -1.208 -0.690) 1.944 2.935 ( 2.861 0.448 1.347) 3.194 2.972 ( 1.633 -2.040 -0.088) 2.614 3.084 ( -1.087 -3.463 2.227) 4.258 3.145 ( 0.429 -0.780 1.327) 1.598 3.169 ( -2.335 -0.054 1.019) 2.548 3.194 ( 2.434 -1.461 1.335) 3.137 3.237 ( -4.275 -2.734 -3.422) 6.121 3.263 ( -3.034 -4.013 -2.168) 5.478 3.900 ( 4.077 2.464 -1.937) 5.143 3.912 ( 4.651 1.936 -3.479) 6.122 3.949 ( 2.072 -0.262 2.935) 3.602 4.050 ( -6.179 -7.583 -4.284) 10.678 4.088 ( 4.140 0.604 2.038) 4.654 4.139 ( 2.539 -3.928 -1.752) 4.994 4.183 ( -4.309 -0.358 8.910) 9.904 4.210 ( -3.905 -2.666 8.814) 10.002 4.592 ( 5.507 6.401 0.433) 8.455 4.647 ( 5.215 0.029 4.094) 6.630 4.721 ( -2.225 -0.561 -10.371) 10.621 4.769 ( -5.192 -4.009 -0.395) 6.572 5.183 ( 18.639 9.299 -1.606) 20.892 5.347 ( 16.930 -3.156 -7.532) 18.797 5.383 ( 1.056 4.180 0.386) 4.328 5.495 ( 8.156 -5.327 5.163) 11.025 5.667 ( 8.059 5.584 -0.327) 9.810 5.817 ( 2.694 -6.010 3.204) 7.324 6.156 ( -6.368 2.021 0.073) 6.681 6.169 ( -3.488 4.770 3.739) 6.993 6.359 ( 3.906 6.205 1.534) 7.490 6.439 ( -1.682 6.391 0.180) 6.612 6.628 ( 2.173 1.032 2.584) 3.530 6.728 ( -5.429 -6.194 1.858) 8.444 7.104 ( 7.427 9.814 -2.462) 12.551 7.273 ( -6.673 -0.517 -1.034) 6.772 7.476 ( 2.472 -0.529 -4.216) 4.916 7.544 ( -3.175 -3.719 -1.304) 5.060 7.841 ( 6.087 1.581 4.450) 7.704 7.974 ( -3.331 -1.545 -1.104) 3.835 7.996 ( 6.621 -4.114 3.279) 8.457 8.115 ( -2.792 -7.577 2.844) 8.561 8.381 ( 1.395 6.546 -1.237) 6.806 8.510 ( -9.545 6.695 -3.125) 12.071 8.536 ( 1.430 -8.241 4.054) 9.295 8.671 ( -8.174 -7.996 -3.089) 11.844 9.387 ( 1.262 3.849 -5.951) 7.199 9.427 ( -4.889 1.279 0.410) 5.070 9.522 ( -0.213 2.230 2.356) 3.251 9.554 ( 0.696 -2.746 -4.309) 5.156 9.861 ( 3.127 10.514 3.248) 11.440 9.986 ( -5.184 2.771 -1.745) 6.132 10.274 ( 0.428 4.557 3.018) 5.482 10.360 ( -5.582 0.329 -3.322) 6.504 10.571 ( 3.192 7.926 3.029) 9.066 10.633 ( 1.037 2.507 2.036) 3.392 10.794 ( -3.182 -7.671 -1.055) 8.371 10.848 ( -4.867 -12.353 -1.792) 13.398 11.599 ( 2.226 11.086 1.592) 11.418 11.671 ( -4.589 10.868 0.298) 11.801 11.751 ( 4.439 -4.533 0.629) 6.376 11.828 ( -1.049 4.190 -3.332) 5.455 11.882 ( 1.112 -5.074 -1.360) 5.370 11.969 ( -5.293 -0.945 1.233) 5.517 12.092 ( 1.433 -14.458 -1.986) 14.664 12.124 ( -2.977 -14.213 2.793) 14.787 12.635 ( 4.299 -0.209 -0.211) 4.310 12.703 ( -2.402 -5.831 0.122) 6.307 12.942 ( 1.283 2.375 1.309) 3.000 12.955 ( 0.811 0.708 -1.930) 2.210 13.279 ( 4.254 5.960 -0.839) 7.370 13.371 ( -4.155 -1.035 0.113) 4.283 13.486 ( -1.612 -3.293 5.728) 6.801 13.522 ( -2.116 -5.857 -1.415) 6.386 13.999 ( 4.681 2.472 1.817) 5.597 14.048 ( 1.209 -1.885 0.227) 2.251 14.320 ( -3.759 2.132 0.958) 4.426 14.370 ( -8.371 -2.396 3.294) 9.310 14.639 ( 4.389 8.028 1.974) 9.360 14.708 ( -2.211 1.636 2.803) 3.927 15.254 ( 0.256 0.097 -1.892) 1.912 15.274 ( -0.040 -1.602 -7.159) 7.336 16.289 ( 2.089 4.346 1.696) 5.111 16.336 ( -0.243 0.439 -4.150) 4.180 16.754 ( 5.314 3.088 5.287) 8.107 16.860 ( -2.341 -6.602 -4.012) 8.073 17.379 ( -0.252 2.247 5.752) 6.181 17.385 ( 1.469 1.796 -2.709) 3.567 17.698 ( 0.356 -0.660 2.554) 2.662 17.714 ( 0.809 -1.914 -3.962) 4.474 17.930 ( -1.041 0.964 0.098) 1.423 17.942 ( -1.702 -0.063 -1.980) 2.612 18.294 ( 1.933 -0.056 0.278) 1.953 18.320 ( -1.208 -2.589 2.191) 3.600 18.725 ( 3.196 2.323 0.232) 3.958 18.781 ( -1.321 -2.962 -2.540) 4.120 19.229 ( 2.741 2.267 1.593) 3.897 19.246 ( 1.570 0.769 -0.346) 1.782 22.440 ( 2.539 3.392 0.663) 4.288 22.494 ( -1.320 0.261 -0.368) 1.395 22.592 ( -1.111 -1.422 -0.672) 1.926 22.641 ( -4.831 -4.106 -0.004) 6.340 26.921 ( 3.523 1.973 -1.399) 4.273 26.953 ( -0.429 -0.957 1.025) 1.467 27.782 ( 6.801 -4.432 -2.125) 8.391 27.790 ( 3.939 -5.302 5.673) 8.707 29.953 ( 0.518 0.570 -0.094) 0.776 29.969 ( -1.013 -0.841 -0.205) 1.332 30.229 ( 2.013 0.553 -0.208) 2.098 30.238 ( 0.943 -0.175 0.269) 0.997 31.491 ( 0.815 4.197 0.191) 4.280 31.525 ( -1.835 1.602 -1.730) 2.988 31.694 ( 0.328 -2.928 1.713) 3.408 31.715 ( -0.862 -4.308 -0.703) 4.449 32.464 ( 4.468 6.770 -1.414) 8.234 32.516 ( -2.025 2.421 3.738) 4.892 32.861 ( 9.916 13.003 1.103) 16.389 32.990 ( -1.374 4.857 1.591) 5.292 33.044 ( 0.998 -1.535 0.464) 1.889 33.096 ( -2.970 -2.933 -0.056) 4.175 33.173 ( 2.814 -1.574 0.715) 3.303 33.243 ( -2.071 -3.643 -1.336) 4.398 34.416 ( 5.485 3.288 4.412) 7.769 34.539 ( -4.312 -7.783 4.744) 10.083 34.897 ( -2.370 2.611 -3.374) 4.880 34.969 ( -5.998 -4.011 -7.893) 10.694 36.495 ( -3.808 -0.020 2.696) 4.666 36.512 ( -2.857 -1.621 -6.071) 6.903 37.623 ( -1.135 -0.585 -0.126) 1.283 37.626 ( -1.237 -0.883 -1.067) 1.856=================== 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 3/27720 10.0 656.648 453.247 699.991 0.000 265.501 0.000 3/27720 20.0 66.519 71.607 88.106 0.000 19.766 0.000 3/27720 30.0 25.200 29.187 36.668 0.000 6.443 0.000 3/27720 40.0 14.359 16.434 21.169 0.000 3.159 0.000 3/27720 50.0 9.903 11.069 14.454 0.000 1.922 0.000 3/27720 60.0 7.576 8.299 10.885 0.000 1.329 0.000 3/27720 70.0 6.165 6.654 8.724 0.000 0.993 0.000 3/27720 80.0 5.219 5.579 7.292 0.000 0.781 0.000 3/27720 90.0 4.541 4.825 6.279 0.000 0.636 0.000 3/27720 100.0 4.032 4.267 5.528 0.000 0.530 0.000 3/27720 110.0 3.635 3.836 4.948 0.000 0.451 0.000 3/27720 120.0 3.316 3.493 4.488 0.000 0.389 0.000 3/27720 130.0 3.055 3.212 4.113 0.000 0.340 0.000 3/27720 140.0 2.836 2.977 3.802 0.000 0.300 0.000 3/27720 150.0 2.650 2.777 3.538 0.000 0.267 0.000 3/27720 160.0 2.490 2.605 3.313 0.000 0.239 0.000 3/27720 170.0 2.350 2.454 3.117 0.000 0.215 0.000 3/27720 180.0 2.227 2.321 2.945 0.000 0.195 0.000 3/27720 190.0 2.118 2.203 2.794 0.000 0.178 0.000 3/27720 200.0 2.020 2.097 2.658 0.000 0.163 0.000 3/27720 210.0 1.932 2.001 2.537 0.000 0.151 0.000 3/27720 220.0 1.853 1.914 2.428 0.000 0.139 0.000 3/27720 230.0 1.780 1.835 2.328 0.000 0.129 0.000 3/27720 240.0 1.714 1.763 2.238 0.000 0.121 0.000 3/27720 250.0 1.653 1.697 2.155 0.000 0.113 0.000 3/27720 260.0 1.596 1.636 2.079 0.000 0.106 0.000 3/27720 270.0 1.544 1.579 2.008 0.000 0.100 0.000 3/27720 280.0 1.496 1.527 1.943 0.000 0.094 0.000 3/27720 290.0 1.451 1.478 1.883 0.000 0.089 0.000 3/27720 300.0 1.408 1.433 1.827 0.000 0.085 0.000 3/27720 310.0 1.369 1.390 1.774 0.000 0.080 0.000 3/27720 320.0 1.332 1.350 1.725 0.000 0.077 0.000 3/27720 330.0 1.296 1.313 1.678 0.000 0.073 0.000 3/27720 340.0 1.263 1.277 1.635 0.000 0.070 0.000 3/27720 350.0 1.232 1.244 1.594 0.000 0.067 0.000 3/27720 360.0 1.202 1.213 1.555 0.000 0.065 0.000 3/27720 370.0 1.174 1.183 1.518 0.000 0.062 0.000 3/27720 380.0 1.147 1.154 1.483 0.000 0.060 0.000 3/27720 390.0 1.122 1.127 1.450 0.000 0.058 0.000 3/27720 400.0 1.097 1.102 1.418 0.000 0.056 0.000 3/27720 410.0 1.074 1.078 1.388 0.000 0.054 0.000 3/27720 420.0 1.052 1.054 1.360 0.000 0.052 0.000 3/27720 430.0 1.030 1.032 1.332 0.000 0.051 0.000 3/27720 440.0 1.010 1.011 1.306 0.000 0.049 0.000 3/27720 450.0 0.990 0.990 1.281 0.000 0.048 0.000 3/27720 460.0 0.972 0.971 1.256 0.000 0.047 0.000 3/27720 470.0 0.953 0.952 1.233 0.000 0.045 0.000 3/27720 480.0 0.936 0.934 1.211 0.000 0.044 0.000 3/27720 490.0 0.919 0.917 1.189 0.000 0.043 0.000 3/27720 500.0 0.903 0.900 1.168 0.000 0.042 0.000 3/27720 510.0 0.887 0.884 1.148 0.000 0.041 0.000 3/27720 520.0 0.872 0.868 1.129 0.000 0.040 0.000 3/27720 530.0 0.857 0.853 1.110 0.000 0.039 0.000 3/27720 540.0 0.843 0.839 1.092 0.000 0.038 0.000 3/27720 550.0 0.830 0.825 1.075 0.000 0.038 0.000 3/27720 560.0 0.816 0.812 1.058 0.000 0.037 0.000 3/27720 570.0 0.804 0.798 1.042 0.000 0.036 0.000 3/27720 580.0 0.791 0.786 1.026 0.000 0.035 0.000 3/27720 590.0 0.779 0.774 1.010 0.000 0.035 0.000 3/27720 600.0 0.767 0.762 0.996 0.000 0.034 0.000 3/27720 610.0 0.756 0.750 0.981 0.000 0.033 0.000 3/27720 620.0 0.745 0.739 0.967 0.000 0.033 0.000 3/27720 630.0 0.734 0.728 0.953 0.000 0.032 0.000 3/27720 640.0 0.724 0.718 0.940 0.000 0.032 0.000 3/27720 650.0 0.714 0.708 0.927 0.000 0.031 0.000 3/27720 660.0 0.704 0.698 0.915 0.000 0.030 0.000 3/27720 670.0 0.694 0.688 0.902 0.000 0.030 0.000 3/27720 680.0 0.685 0.679 0.890 0.000 0.029 0.000 3/27720 690.0 0.676 0.669 0.879 0.000 0.029 0.000 3/27720 700.0 0.667 0.660 0.868 0.000 0.029 0.000 3/27720 710.0 0.659 0.652 0.857 0.000 0.028 0.000 3/27720 720.0 0.650 0.643 0.846 0.000 0.028 0.000 3/27720 730.0 0.642 0.635 0.835 0.000 0.027 0.000 3/27720 740.0 0.634 0.627 0.825 0.000 0.027 0.000 3/27720 750.0 0.626 0.619 0.815 0.000 0.026 0.000 3/27720 760.0 0.619 0.612 0.805 0.000 0.026 0.000 3/27720 770.0 0.611 0.604 0.796 0.000 0.026 0.000 3/27720 780.0 0.604 0.597 0.786 0.000 0.025 0.000 3/27720 790.0 0.597 0.590 0.777 0.000 0.025 0.000 3/27720 800.0 0.590 0.583 0.768 0.000 0.025 0.000 3/27720 810.0 0.583 0.576 0.760 0.000 0.024 0.000 3/27720 820.0 0.576 0.569 0.751 0.000 0.024 0.000 3/27720 830.0 0.570 0.563 0.743 0.000 0.024 0.000 3/27720 840.0 0.564 0.557 0.735 0.000 0.023 0.000 3/27720 850.0 0.557 0.550 0.727 0.000 0.023 0.000 3/27720 860.0 0.551 0.544 0.719 0.000 0.023 0.000 3/27720 870.0 0.545 0.538 0.711 0.000 0.023 0.000 3/27720 880.0 0.540 0.533 0.704 0.000 0.022 0.000 3/27720 890.0 0.534 0.527 0.697 0.000 0.022 0.000 3/27720 900.0 0.528 0.521 0.689 0.000 0.022 0.000 3/27720 910.0 0.523 0.516 0.682 0.000 0.022 0.000 3/27720 920.0 0.517 0.511 0.675 0.000 0.021 0.000 3/27720 930.0 0.512 0.505 0.669 0.000 0.021 0.000 3/27720 940.0 0.507 0.500 0.662 0.000 0.021 0.000 3/27720 950.0 0.502 0.495 0.656 0.000 0.021 0.000 3/27720 960.0 0.497 0.490 0.649 0.000 0.020 0.000 3/27720 970.0 0.492 0.486 0.643 0.000 0.020 0.000 3/27720 980.0 0.487 0.481 0.637 0.000 0.020 0.000 3/27720 990.0 0.483 0.476 0.631 0.000 0.020 0.000 3/27720 1000.0 0.478 0.472 0.625 0.000 0.019 0.000 3/27720Thermal conductivity related properties were written into "kappa-m756.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 03:14:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|