----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 09:45:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cc (9) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.300833630455015 -3.744396105000002 0.000000000000000 b 6.300833630455015 3.744396105000002 0.000000000000000 c -4.321398824162392 0.000000000000000 11.808363692901294 Atomic positions (fractional): *1 Ag 0.79333753710044 0.97345517372872 0.24755315771983 107.868 2 Ag 0.97345517372872 0.79333753710044 0.74755315771983 107.868 *3 Ag 0.38021027665914 0.81463485983290 0.42887486030439 107.868 4 Ag 0.81463485983290 0.38021027665914 0.92887486030439 107.868 *5 In 0.31429705748929 0.51504995564319 0.06653342094376 114.818 6 In 0.51504995564319 0.31429705748929 0.56653342094376 114.818 *7 In 0.16472682342148 0.29322109467078 0.26380721447486 114.818 8 In 0.29322109467078 0.16472682342148 0.76380721447486 114.818 *9 Ge 0.40064913760890 0.92601441284710 0.00239372297644 72.640 10 Ge 0.92601441284710 0.40064913760890 0.50239372297644 72.640 *11 Se 0.60152884197231 0.11689913624307 0.04452445767744 78.960 12 Se 0.11689913624307 0.60152884197231 0.54452445767743 78.960 *13 Se 0.16356043145174 0.64761640766050 0.25356741783657 78.960 14 Se 0.64761640766050 0.16356043145174 0.75356741783657 78.960 *15 Se 0.07368598483243 0.08520935746960 0.05992599495779 78.960 16 Se 0.08520935746960 0.07368598483243 0.55992599495779 78.960 *17 Se 0.81127782736097 0.34658828721674 0.30595924174254 78.960 18 Se 0.34658828721674 0.81127782736097 0.80595924174254 78.960 *19 Se 0.04311799778319 0.51988555496157 0.87471248681508 78.960 20 Se 0.51988555496157 0.04311799778319 0.37471248681508 78.960 *21 Se 0.61291909365867 0.63791479038730 0.09704803455133 78.960 22 Se 0.63791479038730 0.61291909365867 0.59704803455133 78.960 -------------------------------- unit cell --------------------------------- Lattice vectors: a 12.601667260910030 0.000000000000000 0.000000000000000 b 0.000000000000000 7.488792210000003 0.000000000000000 c -4.321398824162392 0.000000000000000 11.808363692901294 Atomic positions (fractional): *1 Ag 0.38339635541458 0.59005881831414 0.24755315771983 107.868 > 1 2 Ag 0.38339635541458 0.40994118168586 0.74755315771983 107.868 > 2 *3 Ag 0.09742256824602 0.71721229158688 0.42887486030439 107.868 > 3 4 Ag 0.59742256824602 0.78278770841312 0.92887486030439 107.868 > 4 5 Ag 0.88339635541458 0.09005881831414 0.24755315771983 107.868 > 1 6 Ag 0.88339635541458 0.90994118168586 0.74755315771983 107.868 > 2 7 Ag 0.59742256824602 0.21721229158688 0.42887486030439 107.868 > 3 8 Ag 0.09742256824602 0.28278770841312 0.92887486030439 107.868 > 4 *9 In 0.91467350656624 0.60037644907695 0.06653342094376 114.818 > 5 10 In 0.41467350656624 0.89962355092305 0.56653342094376 114.818 > 6 *11 In 0.72897395904613 0.56424713562465 0.26380721447486 114.818 > 7 12 In 0.22897395904613 0.93575286437535 0.76380721447486 114.818 > 8 13 In 0.41467350656624 0.10037644907695 0.06653342094376 114.818 > 5 14 In 0.91467350656624 0.39962355092305 0.56653342094376 114.818 > 6 15 In 0.22897395904613 0.06424713562465 0.26380721447486 114.818 > 7 16 In 0.72897395904613 0.43575286437535 0.76380721447486 114.818 > 8 *17 Ge 0.16333177522800 0.76268263761910 0.00239372297644 72.640 > 9 18 Ge 0.66333177522800 0.73731736238090 0.50239372297644 72.640 > 10 19 Ge 0.66333177522800 0.26268263761910 0.00239372297644 72.640 > 9 20 Ge 0.16333177522800 0.23731736238090 0.50239372297644 72.640 > 10 *21 Se 0.85921398910769 0.25768514713538 0.04452445767744 78.960 > 11 22 Se 0.85921398910769 0.74231485286462 0.54452445767743 78.960 > 12 *23 Se 0.90558841955612 0.74202798810438 0.25356741783657 78.960 > 13 24 Se 0.40558841955612 0.75797201189562 0.75356741783657 78.960 > 14 *25 Se 0.57944767115102 0.50576168631859 0.05992599495779 78.960 > 15 26 Se 0.07944767115102 0.99423831368141 0.55992599495779 78.960 > 16 *27 Se 0.07893305728886 0.26765522992789 0.30595924174254 78.960 > 17 28 Se 0.07893305728886 0.73234477007211 0.80595924174254 78.960 > 18 *29 Se 0.28150177637238 0.23838377858919 0.87471248681508 78.960 > 19 30 Se 0.28150177637238 0.76161622141081 0.37471248681508 78.960 > 20 *31 Se 0.12541694202298 0.51249784836432 0.09704803455133 78.960 > 21 32 Se 0.12541694202298 0.48750215163568 0.59704803455133 78.960 > 22 33 Se 0.35921398910769 0.75768514713538 0.04452445767744 78.960 > 11 34 Se 0.35921398910769 0.24231485286462 0.54452445767743 78.960 > 12 35 Se 0.40558841955612 0.24202798810438 0.25356741783657 78.960 > 13 36 Se 0.90558841955612 0.25797201189562 0.75356741783657 78.960 > 14 37 Se 0.07944767115102 0.00576168631859 0.05992599495779 78.960 > 15 38 Se 0.57944767115102 0.49423831368141 0.55992599495779 78.960 > 16 39 Se 0.57893305728886 0.76765522992789 0.30595924174254 78.960 > 17 40 Se 0.57893305728886 0.23234477007211 0.80595924174254 78.960 > 18 41 Se 0.78150177637238 0.73838377858919 0.87471248681508 78.960 > 19 42 Se 0.78150177637238 0.26161622141081 0.37471248681508 78.960 > 20 43 Se 0.62541694202298 0.01249784836432 0.09704803455133 78.960 > 21 44 Se 0.62541694202298 0.98750215163568 0.59704803455133 78.960 > 22 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.601667260910030 0.000000000000000 0.000000000000000 b 0.000000000000000 14.977584420000007 0.000000000000000 c -4.321398824162392 0.000000000000000 11.808363692901294 Atomic positions (fractional): *1 Ag 0.38339635541458 0.29502940915707 0.24755315771983 107.868 > 1 2 Ag 0.38339635541458 0.79502940915707 0.24755315771983 107.868 > 1 3 Ag 0.38339635541458 0.20497059084293 0.74755315771983 107.868 > 2 4 Ag 0.38339635541458 0.70497059084293 0.74755315771983 107.868 > 2 *5 Ag 0.09742256824602 0.35860614579344 0.42887486030439 107.868 > 3 6 Ag 0.09742256824602 0.85860614579344 0.42887486030439 107.868 > 3 7 Ag 0.59742256824602 0.39139385420656 0.92887486030439 107.868 > 4 8 Ag 0.59742256824602 0.89139385420656 0.92887486030439 107.868 > 4 9 Ag 0.88339635541458 0.04502940915707 0.24755315771983 107.868 > 1 10 Ag 0.88339635541458 0.54502940915707 0.24755315771983 107.868 > 1 11 Ag 0.88339635541458 0.45497059084293 0.74755315771983 107.868 > 2 12 Ag 0.88339635541458 0.95497059084293 0.74755315771983 107.868 > 2 13 Ag 0.59742256824602 0.10860614579344 0.42887486030439 107.868 > 3 14 Ag 0.59742256824602 0.60860614579344 0.42887486030439 107.868 > 3 15 Ag 0.09742256824602 0.14139385420656 0.92887486030439 107.868 > 4 16 Ag 0.09742256824602 0.64139385420656 0.92887486030439 107.868 > 4 *17 In 0.91467350656624 0.30018822453847 0.06653342094376 114.818 > 5 18 In 0.91467350656624 0.80018822453848 0.06653342094376 114.818 > 5 19 In 0.41467350656624 0.44981177546153 0.56653342094376 114.818 > 6 20 In 0.41467350656624 0.94981177546152 0.56653342094376 114.818 > 6 *21 In 0.72897395904613 0.28212356781233 0.26380721447486 114.818 > 7 22 In 0.72897395904613 0.78212356781233 0.26380721447486 114.818 > 7 23 In 0.22897395904613 0.46787643218767 0.76380721447486 114.818 > 8 24 In 0.22897395904613 0.96787643218767 0.76380721447486 114.818 > 8 25 In 0.41467350656624 0.05018822453847 0.06653342094376 114.818 > 5 26 In 0.41467350656624 0.55018822453848 0.06653342094376 114.818 > 5 27 In 0.91467350656624 0.19981177546153 0.56653342094376 114.818 > 6 28 In 0.91467350656624 0.69981177546152 0.56653342094376 114.818 > 6 29 In 0.22897395904613 0.03212356781232 0.26380721447486 114.818 > 7 30 In 0.22897395904613 0.53212356781232 0.26380721447486 114.818 > 7 31 In 0.72897395904613 0.21787643218767 0.76380721447486 114.818 > 8 32 In 0.72897395904613 0.71787643218767 0.76380721447486 114.818 > 8 *33 Ge 0.16333177522800 0.38134131880955 0.00239372297644 72.640 > 9 34 Ge 0.16333177522800 0.88134131880955 0.00239372297644 72.640 > 9 35 Ge 0.66333177522800 0.36865868119045 0.50239372297644 72.640 > 10 36 Ge 0.66333177522800 0.86865868119045 0.50239372297644 72.640 > 10 37 Ge 0.66333177522800 0.13134131880955 0.00239372297644 72.640 > 9 38 Ge 0.66333177522800 0.63134131880955 0.00239372297644 72.640 > 9 39 Ge 0.16333177522800 0.11865868119045 0.50239372297644 72.640 > 10 40 Ge 0.16333177522800 0.61865868119045 0.50239372297644 72.640 > 10 *41 Se 0.85921398910769 0.12884257356769 0.04452445767744 78.960 > 11 42 Se 0.85921398910769 0.62884257356769 0.04452445767744 78.960 > 11 43 Se 0.85921398910769 0.37115742643231 0.54452445767743 78.960 > 12 44 Se 0.85921398910769 0.87115742643231 0.54452445767743 78.960 > 12 *45 Se 0.90558841955612 0.37101399405219 0.25356741783657 78.960 > 13 46 Se 0.90558841955612 0.87101399405219 0.25356741783657 78.960 > 13 47 Se 0.40558841955612 0.37898600594781 0.75356741783657 78.960 > 14 48 Se 0.40558841955612 0.87898600594781 0.75356741783657 78.960 > 14 *49 Se 0.57944767115102 0.25288084315929 0.05992599495779 78.960 > 15 50 Se 0.57944767115102 0.75288084315929 0.05992599495779 78.960 > 15 51 Se 0.07944767115102 0.49711915684071 0.55992599495779 78.960 > 16 52 Se 0.07944767115102 0.99711915684071 0.55992599495779 78.960 > 16 *53 Se 0.07893305728886 0.13382761496394 0.30595924174254 78.960 > 17 54 Se 0.07893305728886 0.63382761496394 0.30595924174254 78.960 > 17 55 Se 0.07893305728886 0.36617238503606 0.80595924174254 78.960 > 18 56 Se 0.07893305728886 0.86617238503606 0.80595924174254 78.960 > 18 *57 Se 0.28150177637238 0.11919188929460 0.87471248681508 78.960 > 19 58 Se 0.28150177637238 0.61919188929460 0.87471248681508 78.960 > 19 59 Se 0.28150177637238 0.38080811070540 0.37471248681508 78.960 > 20 60 Se 0.28150177637238 0.88080811070540 0.37471248681508 78.960 > 20 *61 Se 0.12541694202298 0.25624892418216 0.09704803455133 78.960 > 21 62 Se 0.12541694202298 0.75624892418216 0.09704803455133 78.960 > 21 63 Se 0.12541694202298 0.24375107581784 0.59704803455133 78.960 > 22 64 Se 0.12541694202298 0.74375107581784 0.59704803455133 78.960 > 22 65 Se 0.35921398910769 0.37884257356769 0.04452445767744 78.960 > 11 66 Se 0.35921398910769 0.87884257356769 0.04452445767744 78.960 > 11 67 Se 0.35921398910769 0.12115742643231 0.54452445767743 78.960 > 12 68 Se 0.35921398910769 0.62115742643231 0.54452445767743 78.960 > 12 69 Se 0.40558841955612 0.12101399405219 0.25356741783657 78.960 > 13 70 Se 0.40558841955612 0.62101399405219 0.25356741783657 78.960 > 13 71 Se 0.90558841955612 0.12898600594781 0.75356741783657 78.960 > 14 72 Se 0.90558841955612 0.62898600594781 0.75356741783657 78.960 > 14 73 Se 0.07944767115102 0.00288084315929 0.05992599495779 78.960 > 15 74 Se 0.07944767115102 0.50288084315929 0.05992599495779 78.960 > 15 75 Se 0.57944767115102 0.24711915684071 0.55992599495779 78.960 > 16 76 Se 0.57944767115102 0.74711915684071 0.55992599495779 78.960 > 16 77 Se 0.57893305728886 0.38382761496394 0.30595924174254 78.960 > 17 78 Se 0.57893305728886 0.88382761496394 0.30595924174254 78.960 > 17 79 Se 0.57893305728886 0.11617238503606 0.80595924174254 78.960 > 18 80 Se 0.57893305728886 0.61617238503606 0.80595924174254 78.960 > 18 81 Se 0.78150177637238 0.36919188929460 0.87471248681508 78.960 > 19 82 Se 0.78150177637238 0.86919188929460 0.87471248681508 78.960 > 19 83 Se 0.78150177637238 0.13080811070540 0.37471248681508 78.960 > 20 84 Se 0.78150177637238 0.63080811070540 0.37471248681508 78.960 > 20 85 Se 0.62541694202298 0.00624892418216 0.09704803455133 78.960 > 21 86 Se 0.62541694202298 0.50624892418216 0.09704803455133 78.960 > 21 87 Se 0.62541694202298 0.49375107581784 0.59704803455133 78.960 > 22 88 Se 0.62541694202298 0.99375107581784 0.59704803455133 78.960 > 22 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 13.2043095 0.0000000 -0.7832657 0.0000000 15.2277948 0.0000000 -0.7834616 0.0000000 15.4947867 -------------------------- Born effective charges -------------------------- 1 Ag 1.3207092 -0.1450439 -0.0722620 -0.1037276 1.5224710 0.0774331 -0.0920226 -0.0699297 1.3160834 2 Ag 1.3207092 0.1450439 -0.0722620 0.1037276 1.5224710 -0.0774331 -0.0920226 0.0699297 1.3160834 3 Ag 1.3550256 0.1723064 0.0704890 -0.0310014 1.3942428 -0.1499034 0.0945129 0.0742001 1.3369105 4 Ag 1.3550256 -0.1723064 0.0704890 0.0310014 1.3942428 0.1499034 0.0945129 -0.0742001 1.3369105 5 In 2.9998538 0.2921707 -0.0767491 0.3095954 2.6129681 0.4337651 -0.1257627 0.0255085 3.0493704 6 In 2.9998538 -0.2921707 -0.0767491 -0.3095954 2.6129681 -0.4337651 -0.1257627 -0.0255085 3.0493704 7 In 2.9145782 -0.0482806 -0.1165625 0.3225685 2.5300524 0.0016939 -0.1731737 -0.1735642 3.2408131 8 In 2.9145782 0.0482806 -0.1165625 -0.3225685 2.5300524 -0.0016939 -0.1731737 0.1735642 3.2408131 9 Ge 2.7906158 0.5382997 -0.5066699 0.1244192 2.6217881 -0.0769787 -0.0367746 0.4769896 2.8917188 10 Ge 2.7906158 -0.5382997 -0.5066699 -0.1244192 2.6217881 0.0769787 -0.0367746 -0.4769896 2.8917188 11 Se -2.2241445 -0.7363568 -0.2654544 -0.6831883 -2.0075294 0.0808404 -0.1828491 0.2550196 -2.0411830 12 Se -2.2241445 0.7363568 -0.2654544 0.6831883 -2.0075294 -0.0808404 -0.1828491 -0.2550196 -2.0411830 13 Se -2.0225733 -0.0937188 0.4182416 -0.1328746 -1.3944203 -0.1169253 0.3161068 0.0600055 -1.6963717 14 Se -2.0225733 0.0937188 0.4182416 0.1328746 -1.3944203 0.1169253 0.3161068 -0.0600055 -1.6963717 15 Se -1.4021937 -0.1668911 0.0258082 -0.2291894 -2.3272161 -0.1959673 -0.2260597 -0.3833729 -2.1520594 16 Se -1.4021937 0.1668911 0.0258082 0.2291894 -2.3272161 0.1959673 -0.2260597 0.3833729 -2.1520594 17 Se -1.9431098 0.5409517 0.3613683 0.3883735 -1.1553972 -0.0823985 0.3834899 -0.0763940 -2.2969992 18 Se -1.9431098 -0.5409517 0.3613683 -0.3883735 -1.1553972 0.0823985 0.3834899 0.0763940 -2.2969992 19 Se -1.6005831 0.0263078 -0.0382480 -0.1025902 -1.6473576 -0.3144015 -0.1511562 -0.0978659 -2.3960885 20 Se -1.6005831 -0.0263078 -0.0382480 0.1025902 -1.6473576 0.3144015 -0.1511562 0.0978659 -2.3960885 21 Se -2.1881782 -0.2776923 0.2000388 -0.1616292 -2.1496018 -0.4243924 0.1936889 -0.1349106 -1.2521945 22 Se -2.1881782 0.2776923 0.2000388 0.1616292 -2.1496018 0.4243924 0.1936889 0.1349106 -1.2521945 ---------------------------------------------------------------------------- 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: 264/264 Permutation basis: 10398/10398 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4455 Number of blocks in projector: 4455 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 968 Use 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) 452 eigenvectors found. (1) Complementary block size: 38 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 968 Use 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) 452 eigenvectors found. (1) Complementary block size: 38 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 968 Use 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: 4 / 6 --- Block_size: 517 Use submatrix version of eigh solver. (1) Block: 517 / 517 (2) Block: 250 / 517 (2) 239 eigenvectors found. (2) Block: 517 / 517 (2) 256 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 506 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: 517 Use submatrix version of eigh solver. (1) Block: 517 / 517 (2) Block: 250 / 517 (2) 239 eigenvectors found. (2) Block: 517 / 517 (2) 256 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 506 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: 517 Use submatrix version of eigh solver. (1) Block: 517 / 517 (2) Block: 250 / 517 (2) 239 eigenvectors found. (2) Block: 517 / 517 (2) 256 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 506 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: - (4455, 4357), data: False |-- (517, 506), data: False |-- (517, 506), data: False |-- (517, 11), data: (517, 22) @ (22, 11) |-- (267, 256), data: True |-- (250, 239), data: True |-- (517, 506), data: False |-- (517, 506), data: False |-- (517, 11), data: (517, 22) @ (22, 11) |-- (267, 256), data: True |-- (250, 239), data: True |-- (517, 506), data: False |-- (517, 506), data: False |-- (517, 11), data: (517, 22) @ (22, 11) |-- (267, 256), data: True |-- (250, 239), 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, 16), data: (968, 38) @ (38, 16) |-- (468, 452), data: True |-- (500, 478), data: False |-- (500, 20), data: (500, 42) @ (42, 20) |-- (250, 230), data: True |-- (250, 228), data: True |-- (968, 946), data: False |-- (968, 16), data: (968, 38) @ (38, 16) |-- (468, 452), 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 / 88 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 1360 - Time: 1.088 Solver_block: 200 / 1360 - Time: 0.934 Solver_block: 300 / 1360 - Time: 0.844 Solver_block: 400 / 1360 - Time: 0.837 Solver_block: 500 / 1360 - Time: 0.970 Solver_block: 600 / 1360 - Time: 0.931 Solver_block: 700 / 1360 - Time: 1.073 Solver_block: 800 / 1360 - Time: 0.903 Solver_block: 900 / 1360 - Time: 0.903 Solver_block: 1000 / 1360 - Time: 0.935 Solver_block: 1100 / 1360 - Time: 0.849 Solver_block: 1200 / 1360 - Time: 0.849 Solver_block: 1300 / 1360 - Time: 0.937 Solver_block: 1360 / 1360 - Time: 0.647 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 13.461 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 264/264 Permutation basis: 10398/10398 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4455 Number of blocks in projector: 4455 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 968 Use 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) 452 eigenvectors found. (1) Complementary block size: 38 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 968 Use 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) 452 eigenvectors found. (1) Complementary block size: 38 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 968 Use 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: 4 / 6 --- Block_size: 517 Use submatrix version of eigh solver. (1) Block: 517 / 517 (2) Block: 250 / 517 (2) 239 eigenvectors found. (2) Block: 517 / 517 (2) 256 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 506 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: 517 Use submatrix version of eigh solver. (1) Block: 517 / 517 (2) Block: 250 / 517 (2) 239 eigenvectors found. (2) Block: 517 / 517 (2) 256 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 506 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: 517 Use submatrix version of eigh solver. (1) Block: 517 / 517 (2) Block: 250 / 517 (2) 239 eigenvectors found. (2) Block: 517 / 517 (2) 256 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 506 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: - (4455, 4357), data: False |-- (517, 506), data: False |-- (517, 506), data: False |-- (517, 11), data: (517, 22) @ (22, 11) |-- (267, 256), data: True |-- (250, 239), data: True |-- (517, 506), data: False |-- (517, 506), data: False |-- (517, 11), data: (517, 22) @ (22, 11) |-- (267, 256), data: True |-- (250, 239), data: True |-- (517, 506), data: False |-- (517, 506), data: False |-- (517, 11), data: (517, 22) @ (22, 11) |-- (267, 256), data: True |-- (250, 239), 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, 16), data: (968, 38) @ (38, 16) |-- (468, 452), data: True |-- (500, 478), data: False |-- (500, 20), data: (500, 42) @ (42, 20) |-- (250, 230), data: True |-- (250, 228), data: True |-- (968, 946), data: False |-- (968, 16), data: (968, 38) @ (38, 16) |-- (468, 452), data: True |-- (500, 478), data: False |-- (500, 20), data: (500, 42) @ (42, 20) |-- (250, 230), data: True |-- (250, 228), data: True Max drift after symmetrization by symfc projector: -0.00000000 (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 09:46:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:46:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cc (9) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.300833630455015 -3.744396105000002 0.000000000000000 b 6.300833630455015 3.744396105000002 0.000000000000000 c -4.321398824162392 0.000000000000000 11.808363692901294 Atomic positions (fractional): 1 Ag 0.79333753710044 0.97345517372872 0.24755315771983 107.868 2 Ag 0.97345517372872 0.79333753710044 0.74755315771983 107.868 3 Ag 0.38021027665914 0.81463485983290 0.42887486030439 107.868 4 Ag 0.81463485983290 0.38021027665914 0.92887486030439 107.868 5 In 0.31429705748929 0.51504995564319 0.06653342094376 114.818 6 In 0.51504995564319 0.31429705748929 0.56653342094376 114.818 7 In 0.16472682342148 0.29322109467078 0.26380721447486 114.818 8 In 0.29322109467078 0.16472682342148 0.76380721447486 114.818 9 Ge 0.40064913760890 0.92601441284710 0.00239372297644 72.640 10 Ge 0.92601441284710 0.40064913760890 0.50239372297644 72.640 11 Se 0.60152884197231 0.11689913624307 0.04452445767744 78.960 12 Se 0.11689913624307 0.60152884197231 0.54452445767743 78.960 13 Se 0.16356043145174 0.64761640766050 0.25356741783657 78.960 14 Se 0.64761640766050 0.16356043145174 0.75356741783657 78.960 15 Se 0.07368598483243 0.08520935746960 0.05992599495779 78.960 16 Se 0.08520935746960 0.07368598483243 0.55992599495779 78.960 17 Se 0.81127782736097 0.34658828721674 0.30595924174254 78.960 18 Se 0.34658828721674 0.81127782736097 0.80595924174254 78.960 19 Se 0.04311799778319 0.51988555496157 0.87471248681508 78.960 20 Se 0.51988555496157 0.04311799778319 0.37471248681508 78.960 21 Se 0.61291909365867 0.63791479038730 0.09704803455133 78.960 22 Se 0.63791479038730 0.61291909365867 0.59704803455133 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.601667260910030 0.000000000000000 0.000000000000000 b 0.000000000000000 14.977584420000007 0.000000000000000 c -4.321398824162392 0.000000000000000 11.808363692901294 Atomic positions (fractional): 1 Ag 0.38339635541458 0.29502940915707 0.24755315771983 107.868 > 1 2 Ag 0.38339635541458 0.79502940915707 0.24755315771983 107.868 > 1 3 Ag 0.38339635541458 0.20497059084293 0.74755315771983 107.868 > 3 4 Ag 0.38339635541458 0.70497059084293 0.74755315771983 107.868 > 3 5 Ag 0.09742256824602 0.35860614579344 0.42887486030439 107.868 > 5 6 Ag 0.09742256824602 0.85860614579344 0.42887486030439 107.868 > 5 7 Ag 0.59742256824602 0.39139385420656 0.92887486030439 107.868 > 7 8 Ag 0.59742256824602 0.89139385420656 0.92887486030439 107.868 > 7 9 Ag 0.88339635541458 0.04502940915707 0.24755315771983 107.868 > 1 10 Ag 0.88339635541458 0.54502940915707 0.24755315771983 107.868 > 1 11 Ag 0.88339635541458 0.45497059084293 0.74755315771983 107.868 > 3 12 Ag 0.88339635541458 0.95497059084293 0.74755315771983 107.868 > 3 13 Ag 0.59742256824602 0.10860614579344 0.42887486030439 107.868 > 5 14 Ag 0.59742256824602 0.60860614579344 0.42887486030439 107.868 > 5 15 Ag 0.09742256824602 0.14139385420656 0.92887486030439 107.868 > 7 16 Ag 0.09742256824602 0.64139385420656 0.92887486030439 107.868 > 7 17 In 0.91467350656624 0.30018822453847 0.06653342094376 114.818 > 17 18 In 0.91467350656624 0.80018822453848 0.06653342094376 114.818 > 17 19 In 0.41467350656624 0.44981177546153 0.56653342094376 114.818 > 19 20 In 0.41467350656624 0.94981177546152 0.56653342094376 114.818 > 19 21 In 0.72897395904613 0.28212356781233 0.26380721447486 114.818 > 21 22 In 0.72897395904613 0.78212356781233 0.26380721447486 114.818 > 21 23 In 0.22897395904613 0.46787643218767 0.76380721447486 114.818 > 23 24 In 0.22897395904613 0.96787643218767 0.76380721447486 114.818 > 23 25 In 0.41467350656624 0.05018822453847 0.06653342094376 114.818 > 17 26 In 0.41467350656624 0.55018822453848 0.06653342094376 114.818 > 17 27 In 0.91467350656624 0.19981177546153 0.56653342094376 114.818 > 19 28 In 0.91467350656624 0.69981177546152 0.56653342094376 114.818 > 19 29 In 0.22897395904613 0.03212356781232 0.26380721447486 114.818 > 21 30 In 0.22897395904613 0.53212356781232 0.26380721447486 114.818 > 21 31 In 0.72897395904613 0.21787643218767 0.76380721447486 114.818 > 23 32 In 0.72897395904613 0.71787643218767 0.76380721447486 114.818 > 23 33 Ge 0.16333177522800 0.38134131880955 0.00239372297644 72.640 > 33 34 Ge 0.16333177522800 0.88134131880955 0.00239372297644 72.640 > 33 35 Ge 0.66333177522800 0.36865868119045 0.50239372297644 72.640 > 35 36 Ge 0.66333177522800 0.86865868119045 0.50239372297644 72.640 > 35 37 Ge 0.66333177522800 0.13134131880955 0.00239372297644 72.640 > 33 38 Ge 0.66333177522800 0.63134131880955 0.00239372297644 72.640 > 33 39 Ge 0.16333177522800 0.11865868119045 0.50239372297644 72.640 > 35 40 Ge 0.16333177522800 0.61865868119045 0.50239372297644 72.640 > 35 41 Se 0.85921398910769 0.12884257356769 0.04452445767744 78.960 > 41 42 Se 0.85921398910769 0.62884257356769 0.04452445767744 78.960 > 41 43 Se 0.85921398910769 0.37115742643231 0.54452445767743 78.960 > 43 44 Se 0.85921398910769 0.87115742643231 0.54452445767743 78.960 > 43 45 Se 0.90558841955612 0.37101399405219 0.25356741783657 78.960 > 45 46 Se 0.90558841955612 0.87101399405219 0.25356741783657 78.960 > 45 47 Se 0.40558841955612 0.37898600594781 0.75356741783657 78.960 > 47 48 Se 0.40558841955612 0.87898600594781 0.75356741783657 78.960 > 47 49 Se 0.57944767115102 0.25288084315929 0.05992599495779 78.960 > 49 50 Se 0.57944767115102 0.75288084315929 0.05992599495779 78.960 > 49 51 Se 0.07944767115102 0.49711915684071 0.55992599495779 78.960 > 51 52 Se 0.07944767115102 0.99711915684071 0.55992599495779 78.960 > 51 53 Se 0.07893305728886 0.13382761496394 0.30595924174254 78.960 > 53 54 Se 0.07893305728886 0.63382761496394 0.30595924174254 78.960 > 53 55 Se 0.07893305728886 0.36617238503606 0.80595924174254 78.960 > 55 56 Se 0.07893305728886 0.86617238503606 0.80595924174254 78.960 > 55 57 Se 0.28150177637238 0.11919188929460 0.87471248681508 78.960 > 57 58 Se 0.28150177637238 0.61919188929460 0.87471248681508 78.960 > 57 59 Se 0.28150177637238 0.38080811070540 0.37471248681508 78.960 > 59 60 Se 0.28150177637238 0.88080811070540 0.37471248681508 78.960 > 59 61 Se 0.12541694202298 0.25624892418216 0.09704803455133 78.960 > 61 62 Se 0.12541694202298 0.75624892418216 0.09704803455133 78.960 > 61 63 Se 0.12541694202298 0.24375107581784 0.59704803455133 78.960 > 63 64 Se 0.12541694202298 0.74375107581784 0.59704803455133 78.960 > 63 65 Se 0.35921398910769 0.37884257356769 0.04452445767744 78.960 > 41 66 Se 0.35921398910769 0.87884257356769 0.04452445767744 78.960 > 41 67 Se 0.35921398910769 0.12115742643231 0.54452445767743 78.960 > 43 68 Se 0.35921398910769 0.62115742643231 0.54452445767743 78.960 > 43 69 Se 0.40558841955612 0.12101399405219 0.25356741783657 78.960 > 45 70 Se 0.40558841955612 0.62101399405219 0.25356741783657 78.960 > 45 71 Se 0.90558841955612 0.12898600594781 0.75356741783657 78.960 > 47 72 Se 0.90558841955612 0.62898600594781 0.75356741783657 78.960 > 47 73 Se 0.07944767115102 0.00288084315929 0.05992599495779 78.960 > 49 74 Se 0.07944767115102 0.50288084315929 0.05992599495779 78.960 > 49 75 Se 0.57944767115102 0.24711915684071 0.55992599495779 78.960 > 51 76 Se 0.57944767115102 0.74711915684071 0.55992599495779 78.960 > 51 77 Se 0.57893305728886 0.38382761496394 0.30595924174254 78.960 > 53 78 Se 0.57893305728886 0.88382761496394 0.30595924174254 78.960 > 53 79 Se 0.57893305728886 0.11617238503606 0.80595924174254 78.960 > 55 80 Se 0.57893305728886 0.61617238503606 0.80595924174254 78.960 > 55 81 Se 0.78150177637238 0.36919188929460 0.87471248681508 78.960 > 57 82 Se 0.78150177637238 0.86919188929460 0.87471248681508 78.960 > 57 83 Se 0.78150177637238 0.13080811070540 0.37471248681508 78.960 > 59 84 Se 0.78150177637238 0.63080811070540 0.37471248681508 78.960 > 59 85 Se 0.62541694202298 0.00624892418216 0.09704803455133 78.960 > 61 86 Se 0.62541694202298 0.50624892418216 0.09704803455133 78.960 > 61 87 Se 0.62541694202298 0.49375107581784 0.59704803455133 78.960 > 63 88 Se 0.62541694202298 0.99375107581784 0.59704803455133 78.960 > 63 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 13.2043095 0.0000000 -0.7832657 0.0000000 15.2277948 0.0000000 -0.7834616 0.0000000 15.4947867 -------------------------- Born effective charges -------------------------- 1 Ag 1.3207092 -0.1450439 -0.0722620 -0.1037276 1.5224710 0.0774331 -0.0920226 -0.0699297 1.3160834 2 Ag 1.3207092 0.1450439 -0.0722620 0.1037276 1.5224710 -0.0774331 -0.0920226 0.0699297 1.3160834 3 Ag 1.3550256 0.1723064 0.0704890 -0.0310014 1.3942428 -0.1499034 0.0945129 0.0742001 1.3369105 4 Ag 1.3550256 -0.1723064 0.0704890 0.0310014 1.3942428 0.1499034 0.0945129 -0.0742001 1.3369105 5 In 2.9998538 0.2921707 -0.0767491 0.3095954 2.6129681 0.4337651 -0.1257627 0.0255085 3.0493704 6 In 2.9998538 -0.2921707 -0.0767491 -0.3095954 2.6129681 -0.4337651 -0.1257627 -0.0255085 3.0493704 7 In 2.9145782 -0.0482806 -0.1165625 0.3225685 2.5300524 0.0016939 -0.1731737 -0.1735642 3.2408131 8 In 2.9145782 0.0482806 -0.1165625 -0.3225685 2.5300524 -0.0016939 -0.1731737 0.1735642 3.2408131 9 Ge 2.7906158 0.5382997 -0.5066699 0.1244192 2.6217881 -0.0769787 -0.0367746 0.4769896 2.8917188 10 Ge 2.7906158 -0.5382997 -0.5066699 -0.1244192 2.6217881 0.0769787 -0.0367746 -0.4769896 2.8917188 11 Se -2.2241445 -0.7363568 -0.2654544 -0.6831883 -2.0075294 0.0808404 -0.1828491 0.2550196 -2.0411830 12 Se -2.2241445 0.7363568 -0.2654544 0.6831883 -2.0075294 -0.0808404 -0.1828491 -0.2550196 -2.0411830 13 Se -2.0225733 -0.0937188 0.4182416 -0.1328746 -1.3944203 -0.1169253 0.3161068 0.0600055 -1.6963717 14 Se -2.0225733 0.0937188 0.4182416 0.1328746 -1.3944203 0.1169253 0.3161068 -0.0600055 -1.6963717 15 Se -1.4021937 -0.1668911 0.0258082 -0.2291894 -2.3272161 -0.1959673 -0.2260597 -0.3833729 -2.1520594 16 Se -1.4021937 0.1668911 0.0258082 0.2291894 -2.3272161 0.1959673 -0.2260597 0.3833729 -2.1520594 17 Se -1.9431098 0.5409517 0.3613683 0.3883735 -1.1553972 -0.0823985 0.3834899 -0.0763940 -2.2969992 18 Se -1.9431098 -0.5409517 0.3613683 -0.3883735 -1.1553972 0.0823985 0.3834899 0.0763940 -2.2969992 19 Se -1.6005831 0.0263078 -0.0382480 -0.1025902 -1.6473576 -0.3144015 -0.1511562 -0.0978659 -2.3960885 20 Se -1.6005831 -0.0263078 -0.0382480 0.1025902 -1.6473576 0.3144015 -0.1511562 0.0978659 -2.3960885 21 Se -2.1881782 -0.2776923 0.2000388 -0.1616292 -2.1496018 -0.4243924 0.1936889 -0.1349106 -1.2521945 22 Se -2.1881782 0.2776923 0.2000388 0.1616292 -2.1496018 0.4243924 0.1936889 0.1349106 -1.2521945 ---------------------------------------------------------------------------- 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 21, 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 45, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 53, 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yx) -0.00000000 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:47:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:47:05]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cc (9) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.300833630455015 -3.744396105000002 0.000000000000000 b 6.300833630455015 3.744396105000002 0.000000000000000 c -4.321398824162392 0.000000000000000 11.808363692901294 Atomic positions (fractional): 1 Ag 0.79333753710044 0.97345517372872 0.24755315771983 107.868 2 Ag 0.97345517372872 0.79333753710044 0.74755315771983 107.868 3 Ag 0.38021027665914 0.81463485983290 0.42887486030439 107.868 4 Ag 0.81463485983290 0.38021027665914 0.92887486030439 107.868 5 In 0.31429705748929 0.51504995564319 0.06653342094376 114.818 6 In 0.51504995564319 0.31429705748929 0.56653342094376 114.818 7 In 0.16472682342148 0.29322109467078 0.26380721447486 114.818 8 In 0.29322109467078 0.16472682342148 0.76380721447486 114.818 9 Ge 0.40064913760890 0.92601441284710 0.00239372297644 72.640 10 Ge 0.92601441284710 0.40064913760890 0.50239372297644 72.640 11 Se 0.60152884197231 0.11689913624307 0.04452445767744 78.960 12 Se 0.11689913624307 0.60152884197231 0.54452445767743 78.960 13 Se 0.16356043145174 0.64761640766050 0.25356741783657 78.960 14 Se 0.64761640766050 0.16356043145174 0.75356741783657 78.960 15 Se 0.07368598483243 0.08520935746960 0.05992599495779 78.960 16 Se 0.08520935746960 0.07368598483243 0.55992599495779 78.960 17 Se 0.81127782736097 0.34658828721674 0.30595924174254 78.960 18 Se 0.34658828721674 0.81127782736097 0.80595924174254 78.960 19 Se 0.04311799778319 0.51988555496157 0.87471248681508 78.960 20 Se 0.51988555496157 0.04311799778319 0.37471248681508 78.960 21 Se 0.61291909365867 0.63791479038730 0.09704803455133 78.960 22 Se 0.63791479038730 0.61291909365867 0.59704803455133 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.601667260910030 0.000000000000000 0.000000000000000 b 0.000000000000000 14.977584420000007 0.000000000000000 c -4.321398824162392 0.000000000000000 11.808363692901294 Atomic positions (fractional): 1 Ag 0.38339635541458 0.29502940915707 0.24755315771983 107.868 > 1 2 Ag 0.38339635541458 0.79502940915707 0.24755315771983 107.868 > 1 3 Ag 0.38339635541458 0.20497059084293 0.74755315771983 107.868 > 3 4 Ag 0.38339635541458 0.70497059084293 0.74755315771983 107.868 > 3 5 Ag 0.09742256824602 0.35860614579344 0.42887486030439 107.868 > 5 6 Ag 0.09742256824602 0.85860614579344 0.42887486030439 107.868 > 5 7 Ag 0.59742256824602 0.39139385420656 0.92887486030439 107.868 > 7 8 Ag 0.59742256824602 0.89139385420656 0.92887486030439 107.868 > 7 9 Ag 0.88339635541458 0.04502940915707 0.24755315771983 107.868 > 1 10 Ag 0.88339635541458 0.54502940915707 0.24755315771983 107.868 > 1 11 Ag 0.88339635541458 0.45497059084293 0.74755315771983 107.868 > 3 12 Ag 0.88339635541458 0.95497059084293 0.74755315771983 107.868 > 3 13 Ag 0.59742256824602 0.10860614579344 0.42887486030439 107.868 > 5 14 Ag 0.59742256824602 0.60860614579344 0.42887486030439 107.868 > 5 15 Ag 0.09742256824602 0.14139385420656 0.92887486030439 107.868 > 7 16 Ag 0.09742256824602 0.64139385420656 0.92887486030439 107.868 > 7 17 In 0.91467350656624 0.30018822453847 0.06653342094376 114.818 > 17 18 In 0.91467350656624 0.80018822453848 0.06653342094376 114.818 > 17 19 In 0.41467350656624 0.44981177546153 0.56653342094376 114.818 > 19 20 In 0.41467350656624 0.94981177546152 0.56653342094376 114.818 > 19 21 In 0.72897395904613 0.28212356781233 0.26380721447486 114.818 > 21 22 In 0.72897395904613 0.78212356781233 0.26380721447486 114.818 > 21 23 In 0.22897395904613 0.46787643218767 0.76380721447486 114.818 > 23 24 In 0.22897395904613 0.96787643218767 0.76380721447486 114.818 > 23 25 In 0.41467350656624 0.05018822453847 0.06653342094376 114.818 > 17 26 In 0.41467350656624 0.55018822453848 0.06653342094376 114.818 > 17 27 In 0.91467350656624 0.19981177546153 0.56653342094376 114.818 > 19 28 In 0.91467350656624 0.69981177546152 0.56653342094376 114.818 > 19 29 In 0.22897395904613 0.03212356781232 0.26380721447486 114.818 > 21 30 In 0.22897395904613 0.53212356781232 0.26380721447486 114.818 > 21 31 In 0.72897395904613 0.21787643218767 0.76380721447486 114.818 > 23 32 In 0.72897395904613 0.71787643218767 0.76380721447486 114.818 > 23 33 Ge 0.16333177522800 0.38134131880955 0.00239372297644 72.640 > 33 34 Ge 0.16333177522800 0.88134131880955 0.00239372297644 72.640 > 33 35 Ge 0.66333177522800 0.36865868119045 0.50239372297644 72.640 > 35 36 Ge 0.66333177522800 0.86865868119045 0.50239372297644 72.640 > 35 37 Ge 0.66333177522800 0.13134131880955 0.00239372297644 72.640 > 33 38 Ge 0.66333177522800 0.63134131880955 0.00239372297644 72.640 > 33 39 Ge 0.16333177522800 0.11865868119045 0.50239372297644 72.640 > 35 40 Ge 0.16333177522800 0.61865868119045 0.50239372297644 72.640 > 35 41 Se 0.85921398910769 0.12884257356769 0.04452445767744 78.960 > 41 42 Se 0.85921398910769 0.62884257356769 0.04452445767744 78.960 > 41 43 Se 0.85921398910769 0.37115742643231 0.54452445767743 78.960 > 43 44 Se 0.85921398910769 0.87115742643231 0.54452445767743 78.960 > 43 45 Se 0.90558841955612 0.37101399405219 0.25356741783657 78.960 > 45 46 Se 0.90558841955612 0.87101399405219 0.25356741783657 78.960 > 45 47 Se 0.40558841955612 0.37898600594781 0.75356741783657 78.960 > 47 48 Se 0.40558841955612 0.87898600594781 0.75356741783657 78.960 > 47 49 Se 0.57944767115102 0.25288084315929 0.05992599495779 78.960 > 49 50 Se 0.57944767115102 0.75288084315929 0.05992599495779 78.960 > 49 51 Se 0.07944767115102 0.49711915684071 0.55992599495779 78.960 > 51 52 Se 0.07944767115102 0.99711915684071 0.55992599495779 78.960 > 51 53 Se 0.07893305728886 0.13382761496394 0.30595924174254 78.960 > 53 54 Se 0.07893305728886 0.63382761496394 0.30595924174254 78.960 > 53 55 Se 0.07893305728886 0.36617238503606 0.80595924174254 78.960 > 55 56 Se 0.07893305728886 0.86617238503606 0.80595924174254 78.960 > 55 57 Se 0.28150177637238 0.11919188929460 0.87471248681508 78.960 > 57 58 Se 0.28150177637238 0.61919188929460 0.87471248681508 78.960 > 57 59 Se 0.28150177637238 0.38080811070540 0.37471248681508 78.960 > 59 60 Se 0.28150177637238 0.88080811070540 0.37471248681508 78.960 > 59 61 Se 0.12541694202298 0.25624892418216 0.09704803455133 78.960 > 61 62 Se 0.12541694202298 0.75624892418216 0.09704803455133 78.960 > 61 63 Se 0.12541694202298 0.24375107581784 0.59704803455133 78.960 > 63 64 Se 0.12541694202298 0.74375107581784 0.59704803455133 78.960 > 63 65 Se 0.35921398910769 0.37884257356769 0.04452445767744 78.960 > 41 66 Se 0.35921398910769 0.87884257356769 0.04452445767744 78.960 > 41 67 Se 0.35921398910769 0.12115742643231 0.54452445767743 78.960 > 43 68 Se 0.35921398910769 0.62115742643231 0.54452445767743 78.960 > 43 69 Se 0.40558841955612 0.12101399405219 0.25356741783657 78.960 > 45 70 Se 0.40558841955612 0.62101399405219 0.25356741783657 78.960 > 45 71 Se 0.90558841955612 0.12898600594781 0.75356741783657 78.960 > 47 72 Se 0.90558841955612 0.62898600594781 0.75356741783657 78.960 > 47 73 Se 0.07944767115102 0.00288084315929 0.05992599495779 78.960 > 49 74 Se 0.07944767115102 0.50288084315929 0.05992599495779 78.960 > 49 75 Se 0.57944767115102 0.24711915684071 0.55992599495779 78.960 > 51 76 Se 0.57944767115102 0.74711915684071 0.55992599495779 78.960 > 51 77 Se 0.57893305728886 0.38382761496394 0.30595924174254 78.960 > 53 78 Se 0.57893305728886 0.88382761496394 0.30595924174254 78.960 > 53 79 Se 0.57893305728886 0.11617238503606 0.80595924174254 78.960 > 55 80 Se 0.57893305728886 0.61617238503606 0.80595924174254 78.960 > 55 81 Se 0.78150177637238 0.36919188929460 0.87471248681508 78.960 > 57 82 Se 0.78150177637238 0.86919188929460 0.87471248681508 78.960 > 57 83 Se 0.78150177637238 0.13080811070540 0.37471248681508 78.960 > 59 84 Se 0.78150177637238 0.63080811070540 0.37471248681508 78.960 > 59 85 Se 0.62541694202298 0.00624892418216 0.09704803455133 78.960 > 61 86 Se 0.62541694202298 0.50624892418216 0.09704803455133 78.960 > 61 87 Se 0.62541694202298 0.49375107581784 0.59704803455133 78.960 > 63 88 Se 0.62541694202298 0.99375107581784 0.59704803455133 78.960 > 63 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 13.2043095 0.0000000 -0.7832657 0.0000000 15.2277948 0.0000000 -0.7834616 0.0000000 15.4947867 -------------------------- Born effective charges -------------------------- 1 Ag 1.3207092 -0.1450439 -0.0722620 -0.1037276 1.5224710 0.0774331 -0.0920226 -0.0699297 1.3160834 2 Ag 1.3207092 0.1450439 -0.0722620 0.1037276 1.5224710 -0.0774331 -0.0920226 0.0699297 1.3160834 3 Ag 1.3550256 0.1723064 0.0704890 -0.0310014 1.3942428 -0.1499034 0.0945129 0.0742001 1.3369105 4 Ag 1.3550256 -0.1723064 0.0704890 0.0310014 1.3942428 0.1499034 0.0945129 -0.0742001 1.3369105 5 In 2.9998538 0.2921707 -0.0767491 0.3095954 2.6129681 0.4337651 -0.1257627 0.0255085 3.0493704 6 In 2.9998538 -0.2921707 -0.0767491 -0.3095954 2.6129681 -0.4337651 -0.1257627 -0.0255085 3.0493704 7 In 2.9145782 -0.0482806 -0.1165625 0.3225685 2.5300524 0.0016939 -0.1731737 -0.1735642 3.2408131 8 In 2.9145782 0.0482806 -0.1165625 -0.3225685 2.5300524 -0.0016939 -0.1731737 0.1735642 3.2408131 9 Ge 2.7906158 0.5382997 -0.5066699 0.1244192 2.6217881 -0.0769787 -0.0367746 0.4769896 2.8917188 10 Ge 2.7906158 -0.5382997 -0.5066699 -0.1244192 2.6217881 0.0769787 -0.0367746 -0.4769896 2.8917188 11 Se -2.2241445 -0.7363568 -0.2654544 -0.6831883 -2.0075294 0.0808404 -0.1828491 0.2550196 -2.0411830 12 Se -2.2241445 0.7363568 -0.2654544 0.6831883 -2.0075294 -0.0808404 -0.1828491 -0.2550196 -2.0411830 13 Se -2.0225733 -0.0937188 0.4182416 -0.1328746 -1.3944203 -0.1169253 0.3161068 0.0600055 -1.6963717 14 Se -2.0225733 0.0937188 0.4182416 0.1328746 -1.3944203 0.1169253 0.3161068 -0.0600055 -1.6963717 15 Se -1.4021937 -0.1668911 0.0258082 -0.2291894 -2.3272161 -0.1959673 -0.2260597 -0.3833729 -2.1520594 16 Se -1.4021937 0.1668911 0.0258082 0.2291894 -2.3272161 0.1959673 -0.2260597 0.3833729 -2.1520594 17 Se -1.9431098 0.5409517 0.3613683 0.3883735 -1.1553972 -0.0823985 0.3834899 -0.0763940 -2.2969992 18 Se -1.9431098 -0.5409517 0.3613683 -0.3883735 -1.1553972 0.0823985 0.3834899 0.0763940 -2.2969992 19 Se -1.6005831 0.0263078 -0.0382480 -0.1025902 -1.6473576 -0.3144015 -0.1511562 -0.0978659 -2.3960885 20 Se -1.6005831 -0.0263078 -0.0382480 0.1025902 -1.6473576 0.3144015 -0.1511562 0.0978659 -2.3960885 21 Se -2.1881782 -0.2776923 0.2000388 -0.1616292 -2.1496018 -0.4243924 0.1936889 -0.1349106 -1.2521945 22 Se -2.1881782 0.2776923 0.2000388 0.1616292 -2.1496018 0.4243924 0.1936889 0.1349106 -1.2521945 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 8 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.50, Number of G-points: 315, Lambda: 0.20 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/78) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.821 ( 0.000 0.000 0.000) 0.000 0.836 ( 0.000 0.000 0.000) 0.000 0.945 ( 0.000 0.000 0.000) 0.000 0.988 ( 0.000 0.000 0.000) 0.000 1.121 ( 0.000 0.000 0.000) 0.000 1.148 ( 0.000 0.000 0.000) 0.000 1.245 ( 0.000 0.000 0.000) 0.000 1.267 ( 0.000 0.000 0.000) 0.000 1.300 ( 0.000 0.000 0.000) 0.000 1.320 ( 0.000 0.000 0.000) 0.000 1.452 ( 0.000 0.000 0.000) 0.000 1.474 ( 0.000 0.000 0.000) 0.000 1.553 ( 0.000 0.000 0.000) 0.000 1.631 ( 0.000 0.000 0.000) 0.000 1.712 ( 0.000 0.000 0.000) 0.000 1.762 ( 0.000 0.000 0.000) 0.000 1.827 ( 0.000 0.000 0.000) 0.000 1.859 ( 0.000 0.000 0.000) 0.000 2.002 ( 0.000 0.000 0.000) 0.000 2.090 ( 0.000 0.000 0.000) 0.000 2.385 ( 0.000 0.000 0.000) 0.000 2.425 ( 0.000 0.000 0.000) 0.000 2.792 ( 0.000 0.000 -0.000) 0.000 2.840 ( 0.000 0.000 0.000) 0.000 2.849 ( 0.000 0.000 0.000) 0.000 2.917 ( 0.000 0.000 0.000) 0.000 3.018 ( 0.000 0.000 0.000) 0.000 3.251 ( 0.000 0.000 0.000) 0.000 3.331 ( 0.000 0.000 0.000) 0.000 3.375 ( 0.000 0.000 0.000) 0.000 3.433 ( 0.000 0.000 0.000) 0.000 3.743 ( 0.000 0.000 0.000) 0.000 3.934 ( 0.000 0.000 0.000) 0.000 4.141 ( 0.000 0.000 0.000) 0.000 4.239 ( 0.000 0.000 0.000) 0.000 4.290 ( 0.000 0.000 0.000) 0.000 4.305 ( 0.000 0.000 0.000) 0.000 4.525 ( 0.000 0.000 0.000) 0.000 4.588 ( 0.000 0.000 0.000) 0.000 4.820 ( 0.000 0.000 0.000) 0.000 4.882 ( 0.000 0.000 0.000) 0.000 4.908 ( 0.000 0.000 0.000) 0.000 4.939 ( 0.000 0.000 0.000) 0.000 5.025 ( 0.000 0.000 0.000) 0.000 5.049 ( 0.000 0.000 0.000) 0.000 5.146 ( 0.000 0.000 0.000) 0.000 5.374 ( 0.000 0.000 0.000) 0.000 5.760 ( 0.000 0.000 0.000) 0.000 5.872 ( 0.000 0.000 0.000) 0.000 5.897 ( 0.000 0.000 0.000) 0.000 6.008 ( 0.000 0.000 0.000) 0.000 6.118 ( 0.000 0.000 0.000) 0.000 6.125 ( 0.000 0.000 0.000) 0.000 6.155 ( 0.000 0.000 0.000) 0.000 6.277 ( 0.000 0.000 0.000) 0.000 6.426 ( 0.000 0.000 0.000) 0.000 6.595 ( 0.000 0.000 0.000) 0.000 8.193 ( 0.000 0.000 0.000) 0.000 8.288 ( 0.000 0.000 0.000) 0.000 8.735 ( 0.000 0.000 0.000) 0.000 8.935 ( 0.000 0.000 0.000) 0.000 9.013 ( 0.000 0.000 0.000) 0.000 9.073 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 1 (2/78) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.276 ( 7.661 -10.976 0.877) 13.414 0.317 ( 5.116 -14.560 4.580) 16.097 0.557 ( 13.348 -22.546 2.322) 26.304 0.794 ( 0.805 2.147 0.344) 2.318 0.870 ( 1.912 -2.203 0.394) 2.943 0.957 ( 0.740 -1.162 0.378) 1.428 1.051 ( -0.091 -4.661 -0.995) 4.767 1.110 ( 0.721 2.541 0.205) 2.649 1.145 ( 1.795 0.359 1.666) 2.475 1.225 ( 1.670 2.783 -0.375) 3.267 1.300 ( 0.660 -3.191 -0.649) 3.323 1.329 ( 1.288 -0.549 -0.537) 1.499 1.357 ( -0.398 -2.963 -0.210) 2.997 1.455 ( 1.081 0.365 0.225) 1.163 1.482 ( 0.255 -0.960 0.594) 1.157 1.557 ( -0.637 -1.212 -0.486) 1.452 1.629 ( 0.049 0.485 0.002) 0.488 1.704 ( -0.394 0.774 -0.806) 1.185 1.762 ( -0.622 0.538 -0.195) 0.845 1.834 ( 1.821 -0.015 0.571) 1.908 1.895 ( 1.894 -3.500 -0.721) 4.045 2.051 ( 2.787 -3.625 -0.590) 4.611 2.131 ( 3.669 -2.098 1.011) 4.346 2.375 ( 0.990 0.474 -1.198) 1.625 2.469 ( 1.323 -2.121 3.800) 4.549 2.810 ( -1.712 0.164 -0.934) 1.957 2.835 ( -0.587 0.277 -1.140) 1.311 2.901 ( -0.593 -3.435 -0.820) 3.581 2.932 ( -0.443 -1.587 3.206) 3.605 3.023 ( -1.947 -0.804 0.434) 2.151 3.250 ( 0.845 0.460 -1.394) 1.694 3.346 ( -0.422 -1.246 -0.285) 1.346 3.380 ( -1.541 -2.476 -1.326) 3.204 3.487 ( -1.450 -3.377 -0.583) 3.722 3.746 ( 1.223 0.872 1.407) 2.058 3.925 ( -0.539 1.221 -0.689) 1.502 4.159 ( 0.582 -1.594 -0.081) 1.699 4.220 ( 0.041 2.522 1.074) 2.741 4.286 ( 0.777 1.879 -1.434) 2.488 4.316 ( -0.596 -0.918 -0.999) 1.482 4.524 ( -1.851 0.284 0.303) 1.897 4.599 ( 1.694 1.956 -0.339) 2.610 4.830 ( 0.605 -0.377 0.486) 0.863 4.870 ( -0.377 0.786 -1.410) 1.658 4.924 ( -0.137 -0.293 0.317) 0.453 4.962 ( 0.708 0.463 -0.623) 1.051 5.026 ( -0.220 0.492 -0.308) 0.621 5.099 ( 5.456 -1.766 -2.673) 6.327 5.159 ( 0.649 0.106 3.728) 3.786 5.376 ( -0.168 -0.088 0.328) 0.379 5.757 ( 0.054 0.476 -0.404) 0.627 5.868 ( -0.375 0.831 -0.226) 0.939 5.926 ( -1.926 -1.038 -0.783) 2.324 6.035 ( 1.951 1.306 2.662) 3.550 6.100 ( -2.338 0.579 -0.548) 2.470 6.152 ( -1.014 -0.281 -0.652) 1.238 6.190 ( 2.931 1.186 1.456) 3.482 6.285 ( -0.225 0.125 -1.164) 1.192 6.432 ( -1.186 0.473 0.011) 1.277 6.575 ( -0.677 2.222 -0.031) 2.323 8.213 ( 0.863 -0.507 1.172) 1.542 8.366 ( -1.214 -2.700 -0.781) 3.061 8.723 ( -0.127 1.208 -0.527) 1.324 8.903 ( -1.089 2.870 0.456) 3.104 9.029 ( -1.769 -0.955 -0.312) 2.035 9.118 ( 3.068 0.496 0.368) 3.130 ======================= Grid point 2 (3/78) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.506 ( 5.925 -7.792 -0.174) 9.790 0.605 ( 4.134 -12.061 4.661) 13.575 0.797 ( 2.870 -0.569 0.567) 2.980 0.916 ( 3.198 -2.071 -2.645) 4.638 0.968 ( 1.460 -4.022 1.427) 4.510 1.011 ( 4.976 -6.701 2.492) 8.711 1.061 ( 2.739 0.584 1.543) 3.197 1.132 ( 2.145 -1.645 0.769) 2.810 1.165 ( 0.452 -1.147 -1.652) 2.062 1.227 ( 1.348 -1.096 0.520) 1.814 1.301 ( -1.407 0.039 -1.255) 1.886 1.353 ( 0.033 -1.071 -1.127) 1.555 1.408 ( 0.699 -2.487 0.350) 2.607 1.459 ( 0.639 0.266 0.258) 0.739 1.525 ( 0.158 -2.773 1.393) 3.107 1.579 ( -0.260 -1.827 0.024) 1.846 1.634 ( 0.605 0.067 -1.204) 1.349 1.671 ( -0.702 0.874 -1.418) 1.807 1.748 ( -0.462 -0.639 0.172) 0.807 1.858 ( 1.764 -0.319 -0.257) 1.810 1.999 ( 3.486 -4.861 1.282) 6.118 2.161 ( 4.927 -4.801 -0.725) 6.918 2.236 ( 6.032 -3.566 1.329) 7.132 2.392 ( 2.041 -1.415 -2.632) 3.619 2.535 ( 1.934 -1.699 3.983) 4.742 2.768 ( -2.591 1.239 -3.104) 4.229 2.831 ( 0.316 -0.197 1.174) 1.231 2.908 ( -1.254 0.035 -0.431) 1.326 2.991 ( -1.500 -3.217 1.677) 3.926 3.032 ( -1.445 -2.095 1.722) 3.073 3.243 ( -0.019 0.515 -1.450) 1.538 3.344 ( -0.523 -0.993 -2.925) 3.133 3.450 ( -0.557 -6.666 -0.478) 6.707 3.545 ( -0.975 -5.353 -0.996) 5.532 3.751 ( 1.914 1.158 2.323) 3.225 3.887 ( -1.713 1.522 -1.260) 2.615 4.165 ( 0.657 4.331 2.264) 4.930 4.195 ( 0.702 -0.398 -0.621) 1.018 4.254 ( 0.610 1.094 -1.556) 1.998 4.330 ( 0.100 -1.414 -0.315) 1.452 4.492 ( -2.103 1.251 0.555) 2.509 4.569 ( -0.669 2.165 -0.315) 2.288 4.842 ( 0.613 0.078 0.490) 0.789 4.846 ( -0.769 0.916 -0.514) 1.302 4.934 ( 0.668 0.027 0.196) 0.696 4.959 ( 0.662 -0.080 -0.629) 0.917 5.019 ( -0.206 -0.063 -0.053) 0.222 5.158 ( 0.711 -0.846 -0.032) 1.106 5.213 ( 6.218 -2.316 0.480) 6.653 5.377 ( -0.205 -0.015 0.513) 0.553 5.743 ( -0.559 0.806 -0.015) 0.981 5.843 ( -0.472 1.488 -0.293) 1.588 5.922 ( -0.684 -0.173 0.329) 0.778 6.022 ( -1.360 1.658 -0.292) 2.164 6.078 ( -0.820 -0.026 1.463) 1.677 6.142 ( -0.972 -0.194 -1.110) 1.488 6.203 ( 1.380 0.622 1.641) 2.232 6.271 ( -0.257 0.611 -1.773) 1.893 6.412 ( -0.803 0.674 0.522) 1.171 6.520 ( -1.379 2.658 -0.420) 3.024 8.239 ( 0.059 -1.389 0.938) 1.677 8.404 ( 0.339 -2.430 -0.707) 2.554 8.694 ( -0.029 1.661 -0.972) 1.925 8.838 ( -1.164 3.479 0.828) 3.761 9.024 ( -1.707 -0.546 0.013) 1.793 9.142 ( 1.239 -0.652 0.056) 1.401 ======================= Grid point 3 (4/78) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.643 ( 3.076 -3.444 -0.197) 4.621 0.817 ( 2.372 -7.017 2.998) 7.991 0.856 ( 3.061 -1.361 -1.016) 3.501 0.912 ( 0.315 1.039 -0.867) 1.389 1.002 ( 1.080 -0.228 0.828) 1.380 1.043 ( 1.745 -0.451 0.438) 1.854 1.121 ( 1.492 1.206 1.290) 2.312 1.171 ( 0.614 -0.325 -2.692) 2.780 1.190 ( -0.818 -0.487 2.788) 2.947 1.260 ( 0.453 -0.245 -0.610) 0.798 1.316 ( -0.093 -1.921 -0.248) 1.940 1.391 ( 1.234 -2.912 -0.027) 3.163 1.457 ( 2.384 -0.074 0.732) 2.495 1.462 ( -0.932 -2.316 0.539) 2.554 1.547 ( -0.797 0.467 -1.415) 1.690 1.595 ( -1.186 -0.947 1.335) 2.022 1.622 ( -0.127 -1.146 -1.123) 1.609 1.668 ( -0.569 0.504 -0.228) 0.794 1.802 ( 2.804 -3.891 -1.056) 4.911 1.870 ( 0.149 -0.051 0.048) 0.165 2.120 ( 3.557 -4.246 2.540) 6.093 2.279 ( 4.411 -3.191 -0.522) 5.470 2.343 ( 3.763 -1.552 0.648) 4.122 2.433 ( 1.842 -2.123 -2.866) 4.014 2.578 ( 1.195 0.009 3.012) 3.240 2.708 ( -2.816 1.033 -2.635) 3.993 2.851 ( 0.356 -0.297 2.206) 2.254 2.915 ( 1.579 -1.891 -1.246) 2.760 2.999 ( -2.169 -0.548 1.017) 2.458 3.058 ( -0.850 -0.544 1.183) 1.555 3.214 ( -2.166 0.844 -1.109) 2.576 3.366 ( 1.433 -1.601 -1.709) 2.745 3.554 ( -1.071 -5.798 -0.511) 5.919 3.630 ( -0.731 -5.759 -1.433) 5.979 3.760 ( 1.033 0.678 1.782) 2.169 3.841 ( -1.004 1.484 -0.768) 1.950 4.104 ( 0.519 4.063 2.043) 4.577 4.173 ( 1.051 2.433 -1.301) 2.953 4.272 ( 0.368 -1.797 -0.347) 1.867 4.361 ( 1.019 -1.555 -0.148) 1.865 4.452 ( -1.731 0.950 0.343) 2.004 4.515 ( -1.594 2.632 -0.135) 3.080 4.822 ( -0.578 0.850 -0.086) 1.032 4.841 ( 0.123 0.518 0.198) 0.568 4.934 ( -0.015 0.012 -0.232) 0.233 4.973 ( 1.062 -0.248 -0.141) 1.100 5.025 ( 0.305 -0.531 -0.032) 0.613 5.168 ( -0.003 -0.192 0.503) 0.538 5.317 ( 4.773 -2.472 -0.265) 5.382 5.378 ( 0.293 -0.116 0.472) 0.568 5.720 ( -0.892 1.053 0.094) 1.383 5.812 ( -0.436 1.293 -0.256) 1.388 5.922 ( 0.171 0.054 0.647) 0.671 5.972 ( -2.764 1.026 -0.753) 3.043 6.078 ( 0.039 0.480 1.293) 1.380 6.135 ( -0.533 -0.317 -0.857) 1.058 6.211 ( 0.847 0.249 1.458) 1.704 6.248 ( -0.553 0.741 -1.764) 1.992 6.401 ( -0.239 0.296 0.700) 0.796 6.469 ( -1.038 1.582 -0.583) 1.980 8.262 ( -0.133 -1.010 0.616) 1.191 8.439 ( 0.483 -1.364 -0.431) 1.510 8.668 ( 0.265 0.939 -1.119) 1.485 8.780 ( -0.751 2.434 0.921) 2.709 9.016 ( -1.319 -0.324 0.073) 1.360 9.162 ( 0.472 -0.565 -0.008) 0.736 ======================= Grid point 4 (5/78) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( 0.000 0.000 0.000) 0.000 0.857 ( 0.000 -0.000 0.000) 0.000 0.897 ( 0.000 0.000 0.000) 0.000 0.924 ( 0.000 -0.000 0.000) 0.000 1.011 ( 0.000 -0.000 0.000) 0.000 1.066 ( 0.000 -0.000 -0.000) 0.000 1.114 ( 0.000 -0.000 0.000) 0.000 1.170 ( 0.000 -0.000 0.000) 0.000 1.196 ( 0.000 -0.000 0.000) 0.000 1.250 ( 0.000 -0.000 0.000) 0.000 1.329 ( 0.000 -0.000 0.000) 0.000 1.418 ( 0.000 0.000 0.000) 0.000 1.472 ( -0.000 -0.000 0.000) 0.000 1.492 ( 0.000 0.000 0.000) 0.000 1.528 ( 0.000 -0.000 0.000) 0.000 1.604 ( 0.000 -0.000 0.000) 0.000 1.640 ( 0.000 0.000 0.000) 0.000 1.646 ( 0.000 -0.000 -0.000) 0.000 1.863 ( 0.000 -0.000 -0.000) 0.000 1.864 ( -0.000 0.000 0.000) 0.000 2.194 ( 0.000 -0.000 0.000) 0.000 2.328 ( 0.000 -0.000 0.000) 0.000 2.362 ( 0.000 -0.000 0.000) 0.000 2.462 ( 0.000 -0.000 0.000) 0.000 2.587 ( 0.000 -0.000 0.000) 0.000 2.677 ( 0.000 -0.000 0.000) 0.000 2.859 ( 0.000 -0.000 0.000) 0.000 2.947 ( 0.000 -0.000 0.000) 0.000 3.011 ( 0.000 -0.000 0.000) 0.000 3.041 ( 0.000 0.000 0.000) 0.000 3.187 ( 0.000 -0.000 0.000) 0.000 3.388 ( 0.000 -0.000 0.000) 0.000 3.597 ( 0.000 -0.000 0.000) 0.000 3.679 ( 0.000 -0.000 0.000) 0.000 3.763 ( 0.000 -0.000 -0.000) 0.000 3.821 ( 0.000 -0.000 0.000) 0.000 4.072 ( 0.000 -0.000 -0.000) 0.000 4.154 ( 0.000 -0.000 0.000) 0.000 4.291 ( 0.000 0.000 0.000) 0.000 4.383 ( 0.000 -0.000 0.000) 0.000 4.445 ( 0.000 -0.000 0.000) 0.000 4.468 ( 0.000 0.000 0.000) 0.000 4.811 ( 0.000 -0.000 0.000) 0.000 4.836 ( 0.000 -0.000 0.000) 0.000 4.934 ( 0.000 -0.000 0.000) 0.000 4.980 ( 0.000 -0.000 0.000) 0.000 5.033 ( 0.000 -0.000 0.000) 0.000 5.170 ( 0.000 -0.000 0.000) 0.000 5.357 ( 0.000 -0.000 0.000) 0.000 5.393 ( 0.000 -0.000 0.000) 0.000 5.703 ( 0.000 -0.000 0.000) 0.000 5.797 ( 0.000 -0.000 0.000) 0.000 5.927 ( -0.000 -0.000 -0.000) 0.000 5.943 ( 0.000 0.000 0.000) 0.000 6.075 ( 0.000 -0.000 0.000) 0.000 6.134 ( 0.000 -0.000 0.000) 0.000 6.222 ( 0.000 -0.000 0.000) 0.000 6.229 ( 0.000 -0.000 0.000) 0.000 6.399 ( 0.000 -0.000 0.000) 0.000 6.449 ( 0.000 -0.000 0.000) 0.000 8.272 ( 0.000 -0.000 0.000) 0.000 8.452 ( 0.000 -0.000 0.000) 0.000 8.660 ( 0.000 -0.000 0.000) 0.000 8.756 ( 0.000 -0.000 0.000) 0.000 9.012 ( 0.000 -0.000 0.000) 0.000 9.169 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 10 (6/78) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.291 ( 12.612 -0.000 3.631) 13.124 0.329 ( 12.749 -0.000 9.661) 15.996 0.567 ( 23.221 -0.000 4.810) 23.714 0.827 ( 1.254 -0.000 -0.708) 1.440 0.888 ( 3.172 -0.000 3.182) 4.493 0.967 ( 1.236 -0.000 0.911) 1.536 1.001 ( 1.129 -0.000 -1.076) 1.559 1.134 ( 0.246 -0.000 0.303) 0.391 1.196 ( 2.265 -0.000 2.703) 3.526 1.261 ( 0.992 -0.000 -3.368) 3.511 1.290 ( 0.477 -0.000 -1.126) 1.223 1.311 ( 4.801 -0.000 -2.392) 5.364 1.366 ( 0.843 -0.000 0.243) 0.877 1.458 ( 0.048 -0.000 1.904) 1.904 1.492 ( 2.100 -0.000 0.892) 2.282 1.537 ( -0.722 0.000 -0.983) 1.219 1.634 ( 0.472 -0.000 -0.244) 0.532 1.700 ( -1.260 0.000 -1.692) 2.110 1.755 ( -1.247 0.000 -0.860) 1.515 1.872 ( 1.925 -0.000 -2.175) 2.905 1.880 ( 5.385 -0.000 2.110) 5.784 2.064 ( 6.384 -0.000 -0.997) 6.461 2.164 ( 5.676 -0.000 0.759) 5.727 2.383 ( 1.921 -0.000 -5.313) 5.649 2.490 ( 1.073 -0.000 8.467) 8.535 2.777 ( -1.690 0.000 -0.745) 1.847 2.829 ( -0.238 0.000 -2.257) 2.270 2.853 ( -0.021 0.000 1.922) 1.922 2.932 ( -0.945 0.000 4.626) 4.721 2.993 ( -2.433 0.000 0.754) 2.547 3.259 ( 1.547 -0.000 -3.088) 3.454 3.321 ( -3.180 0.000 -3.826) 4.975 3.336 ( -0.319 0.000 1.475) 1.510 3.439 ( 0.069 -0.000 -0.172) 0.186 3.778 ( 2.337 -0.000 2.031) 3.096 3.921 ( -2.596 0.000 -1.502) 2.999 4.153 ( 1.053 -0.000 -0.024) 1.053 4.244 ( 0.037 -0.000 1.348) 1.348 4.298 ( 0.548 -0.000 0.796) 0.967 4.308 ( 0.712 -0.000 -4.225) 4.284 4.505 ( -2.091 0.000 0.974) 2.307 4.626 ( -1.183 0.000 -1.305) 1.762 4.837 ( 0.924 -0.000 0.953) 1.327 4.868 ( -0.143 0.000 -2.762) 2.766 4.936 ( 1.435 -0.000 1.868) 2.356 4.958 ( -1.244 0.000 -1.493) 1.943 5.076 ( 3.394 -0.000 -0.452) 3.424 5.094 ( 4.312 -0.000 -5.058) 6.647 5.193 ( 0.529 -0.000 4.788) 4.817 5.374 ( -0.226 0.000 0.530) 0.576 5.761 ( -0.206 0.000 -1.043) 1.063 5.863 ( -0.501 0.000 -0.994) 1.113 5.901 ( -0.337 0.000 1.492) 1.530 6.068 ( -0.359 0.000 1.643) 1.682 6.104 ( -1.280 0.000 -0.342) 1.325 6.116 ( -2.263 0.000 -0.627) 2.348 6.254 ( 1.010 -0.000 0.569) 1.159 6.268 ( -0.138 0.000 -1.642) 1.648 6.412 ( -1.566 0.000 0.535) 1.655 6.587 ( -2.004 0.000 -0.338) 2.032 8.254 ( -0.272 0.000 1.870) 1.890 8.291 ( 0.549 -0.000 -0.771) 0.946 8.728 ( -0.486 0.000 -0.482) 0.684 8.883 ( -4.579 0.000 -0.039) 4.579 9.043 ( 2.477 -0.000 0.161) 2.482 9.152 ( -0.216 0.000 -0.813) 0.841 ======================= Grid point 11 (7/78) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.490 ( 10.246 -5.820 2.479) 12.041 0.535 ( 10.014 -6.043 7.369) 13.824 0.830 ( 3.642 0.074 -1.728) 4.031 0.874 ( 8.768 -9.025 3.709) 13.118 0.931 ( 3.230 -0.788 0.927) 3.452 0.998 ( 3.173 -1.786 0.875) 3.744 1.068 ( 4.201 -3.671 -0.677) 5.620 1.119 ( -0.084 1.014 -0.006) 1.018 1.208 ( 2.092 1.276 2.376) 3.414 1.250 ( 1.654 1.845 -2.975) 3.871 1.311 ( -0.552 -2.604 -2.355) 3.554 1.329 ( 2.463 2.279 -1.116) 3.537 1.383 ( 2.021 -1.424 0.181) 2.478 1.472 ( -0.021 -0.324 1.431) 1.467 1.511 ( 0.841 0.479 2.128) 2.338 1.556 ( 2.069 -1.756 0.645) 2.789 1.640 ( 1.087 0.082 -0.981) 1.466 1.667 ( -2.422 0.653 -2.070) 3.252 1.743 ( 0.739 0.017 -0.428) 0.854 1.876 ( 2.187 0.702 -2.003) 3.048 1.979 ( 5.603 -3.136 2.656) 6.948 2.155 ( 7.605 -2.606 -1.352) 8.153 2.259 ( 7.789 -2.491 1.016) 8.240 2.388 ( 3.194 -0.474 -6.104) 6.906 2.546 ( 1.703 -1.508 5.715) 6.151 2.749 ( -2.322 0.728 -3.638) 4.377 2.827 ( 0.076 -0.761 1.371) 1.570 2.890 ( -0.364 -1.306 0.364) 1.404 2.940 ( -1.424 -1.239 5.682) 5.987 2.992 ( -1.612 -1.799 1.768) 2.993 3.247 ( -0.642 1.003 -3.624) 3.815 3.299 ( -0.386 -1.944 -3.919) 4.391 3.362 ( -0.359 -3.104 0.669) 3.196 3.462 ( -1.024 -2.980 -0.473) 3.187 3.800 ( 2.267 1.144 1.931) 3.190 3.879 ( -2.602 0.671 -1.597) 3.126 4.178 ( 1.167 -1.480 0.062) 1.885 4.235 ( 0.130 2.168 2.280) 3.149 4.281 ( 0.014 1.676 -3.247) 3.653 4.312 ( 0.524 -0.725 0.551) 1.051 4.485 ( -2.290 0.408 0.801) 2.460 4.592 ( -1.341 1.691 -0.670) 2.260 4.844 ( -0.410 0.423 -0.154) 0.609 4.856 ( 0.576 0.033 -0.628) 0.853 4.933 ( -1.324 0.320 -0.916) 1.641 4.958 ( 0.777 -0.192 1.214) 1.454 5.070 ( 4.776 2.699 -0.701) 5.531 5.153 ( 1.729 -1.084 0.024) 2.040 5.236 ( 4.328 -1.849 0.751) 4.766 5.375 ( -0.389 -0.128 0.722) 0.830 5.748 ( -0.721 0.530 -0.151) 0.907 5.850 ( -0.988 0.436 -1.137) 1.568 5.909 ( -0.637 -0.624 1.447) 1.699 6.033 ( -3.132 2.270 -0.779) 3.946 6.086 ( 0.748 -0.053 1.809) 1.959 6.117 ( -1.286 -0.799 -1.004) 1.817 6.239 ( 0.839 1.454 1.119) 2.017 6.268 ( -0.098 0.140 -2.032) 2.039 6.401 ( -2.053 -0.373 0.594) 2.170 6.543 ( -2.131 2.076 -0.420) 3.004 8.237 ( 0.605 0.540 1.157) 1.413 8.346 ( -0.184 -3.886 -0.830) 3.978 8.711 ( -0.566 1.086 -0.733) 1.427 8.833 ( -5.292 0.104 -0.297) 5.301 9.047 ( 2.323 2.200 0.747) 3.285 9.146 ( 0.309 -0.114 -0.035) 0.332 ======================= Grid point 12 (8/78) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.658 ( 7.544 -2.412 1.503) 8.062 0.747 ( 5.170 -6.596 5.341) 9.938 0.867 ( 3.760 -1.089 -1.567) 4.216 0.949 ( 1.736 2.017 -1.346) 2.983 0.990 ( 0.163 -2.442 1.262) 2.754 1.061 ( 1.604 0.488 -0.140) 1.683 1.123 ( -0.642 -1.741 -2.190) 2.870 1.178 ( 2.059 -0.785 1.016) 2.427 1.229 ( 2.451 0.773 1.177) 2.826 1.231 ( 1.379 -1.138 -0.437) 1.841 1.321 ( 2.518 1.078 -0.201) 2.747 1.345 ( 1.071 -3.211 -1.517) 3.709 1.429 ( 1.160 -1.706 0.234) 2.076 1.486 ( 0.164 -0.581 1.465) 1.585 1.524 ( 0.457 -1.365 0.250) 1.461 1.592 ( -0.426 1.274 -0.340) 1.386 1.619 ( 1.855 -0.109 -0.885) 2.058 1.664 ( 0.368 -0.535 0.375) 0.751 1.783 ( 3.909 -2.010 -0.409) 4.414 1.875 ( 1.469 0.742 -1.771) 2.418 2.101 ( 4.565 -3.764 3.351) 6.800 2.270 ( 5.573 -2.991 -1.878) 6.598 2.365 ( 4.149 -0.958 0.178) 4.262 2.423 ( 4.928 -1.589 -4.590) 6.920 2.595 ( 0.395 -0.578 3.404) 3.476 2.695 ( -1.615 1.261 -2.220) 3.021 2.854 ( 0.029 -0.697 2.233) 2.340 2.893 ( 0.517 -1.221 -1.216) 1.800 2.976 ( -1.059 -1.070 4.359) 4.612 3.024 ( -1.143 -2.448 2.159) 3.458 3.207 ( -1.646 0.645 -2.254) 2.865 3.334 ( 1.294 -2.485 -2.441) 3.716 3.441 ( 0.230 -6.110 -0.289) 6.121 3.516 ( -1.248 -5.401 -0.816) 5.603 3.791 ( -0.072 1.588 -0.116) 1.594 3.850 ( -0.052 0.733 0.274) 0.784 4.184 ( -0.159 3.911 0.665) 3.970 4.211 ( 0.642 0.702 0.180) 0.968 4.251 ( 0.118 -0.246 -0.526) 0.593 4.341 ( 0.803 -1.720 0.026) 1.898 4.453 ( -1.752 1.038 0.374) 2.071 4.542 ( -1.306 2.403 -0.332) 2.755 4.824 ( -0.957 0.561 -0.499) 1.217 4.860 ( 0.481 0.557 -0.022) 0.736 4.916 ( -1.239 -0.349 -0.625) 1.431 4.967 ( -0.055 -0.064 0.702) 0.707 5.079 ( 5.242 2.162 -0.219) 5.674 5.169 ( 0.203 -0.022 0.974) 0.995 5.320 ( 3.705 -2.130 -0.298) 4.284 5.378 ( 0.070 -0.384 0.665) 0.771 5.729 ( -0.873 0.884 0.164) 1.254 5.822 ( -1.295 0.970 -1.023) 1.914 5.917 ( -0.793 -0.528 1.152) 1.494 5.966 ( -2.335 1.522 -0.279) 2.802 6.094 ( -0.170 0.576 0.577) 0.833 6.118 ( 0.081 -0.782 -0.286) 0.837 6.233 ( 0.584 0.703 1.290) 1.581 6.249 ( -0.332 0.806 -2.163) 2.332 6.392 ( -1.592 -0.593 0.510) 1.774 6.485 ( -1.630 2.153 -0.386) 2.728 8.251 ( 0.571 -0.761 0.723) 1.195 8.401 ( -0.161 -3.088 -0.628) 3.156 8.681 ( -0.445 1.266 -1.173) 1.783 8.777 ( -4.714 0.339 -0.015) 4.726 9.036 ( 2.167 1.875 0.867) 2.994 9.156 ( 0.167 -0.499 0.196) 0.561 ======================= Grid point 13 (9/78) ======================= q-point: ( 0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( 4.617 1.404 0.893) 4.908 0.871 ( 1.585 -2.019 1.411) 2.929 0.892 ( 1.166 1.063 -1.159) 1.958 0.929 ( 0.720 0.267 0.154) 0.784 1.005 ( -1.257 0.135 -0.739) 1.465 1.062 ( 0.463 0.535 -2.470) 2.569 1.136 ( -0.035 0.062 0.274) 0.283 1.172 ( 0.464 0.262 2.768) 2.819 1.204 ( 0.782 1.040 -1.058) 1.678 1.265 ( 0.596 0.958 -0.331) 1.176 1.345 ( 2.282 0.194 1.057) 2.523 1.382 ( -1.420 -1.988 -0.663) 2.531 1.464 ( 0.693 -0.500 0.230) 0.885 1.513 ( 2.053 -0.482 0.086) 2.111 1.552 ( 1.533 -0.281 -1.451) 2.129 1.580 ( -0.072 -2.000 -0.284) 2.022 1.638 ( 0.780 0.107 0.727) 1.071 1.673 ( 2.228 1.365 0.696) 2.704 1.844 ( 1.122 -1.443 -2.451) 3.058 1.879 ( 2.328 0.489 0.717) 2.485 2.195 ( 1.801 -1.164 1.469) 2.599 2.320 ( -0.114 -0.041 -1.469) 1.474 2.371 ( 0.221 0.736 -1.556) 1.736 2.480 ( 3.571 0.047 -0.833) 3.667 2.593 ( -0.445 1.045 0.344) 1.187 2.682 ( 0.689 -0.357 1.543) 1.727 2.850 ( -1.844 0.026 0.368) 1.881 2.939 ( 2.026 -1.933 -2.279) 3.610 3.002 ( 0.112 -1.037 3.688) 3.832 3.036 ( -1.963 -0.196 0.344) 2.002 3.194 ( 0.993 -0.249 1.158) 1.546 3.369 ( -0.502 -1.543 -1.355) 2.114 3.551 ( 1.315 -5.670 0.011) 5.820 3.609 ( -0.215 -6.222 -0.870) 6.286 3.764 ( -0.697 0.492 -0.631) 1.061 3.844 ( 0.893 1.315 0.978) 1.866 4.109 ( -0.413 4.099 -0.993) 4.238 4.176 ( -0.848 2.438 1.131) 2.818 4.282 ( 0.793 -1.531 0.038) 1.725 4.371 ( -0.670 -0.916 -0.069) 1.137 4.436 ( 0.497 -0.597 0.008) 0.777 4.491 ( -0.473 2.268 -0.035) 2.317 4.810 ( -0.413 0.044 -0.380) 0.562 4.849 ( 0.365 0.936 -0.162) 1.018 4.914 ( -1.134 -0.779 -0.077) 1.378 4.964 ( -1.128 -0.155 0.173) 1.152 5.092 ( 4.762 2.478 0.112) 5.370 5.171 ( -0.037 0.083 0.423) 0.433 5.353 ( -0.256 -0.241 0.235) 0.423 5.390 ( -0.607 0.027 -0.006) 0.608 5.708 ( -0.279 0.615 0.068) 0.679 5.794 ( -0.947 0.276 -0.507) 1.109 5.909 ( -1.720 -0.388 -0.314) 1.791 5.956 ( 1.504 -0.200 1.064) 1.853 6.079 ( -0.308 0.565 -0.739) 0.980 6.133 ( 0.346 -0.380 0.678) 0.850 6.223 ( -0.537 0.875 -1.523) 1.837 6.237 ( 0.709 0.096 1.088) 1.302 6.391 ( -1.009 -0.580 -0.305) 1.203 6.447 ( -0.766 0.575 0.173) 0.973 8.271 ( 0.770 -0.494 0.178) 0.932 8.436 ( -0.618 -1.608 -0.092) 1.726 8.658 ( -0.531 0.365 -0.961) 1.157 8.734 ( -3.380 -0.280 -0.049) 3.392 9.038 ( 2.708 1.098 0.641) 2.992 9.164 ( -0.329 -0.392 0.220) 0.557 ======================= Grid point 14 (10/78) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( 2.650 4.649 1.121) 5.467 0.860 ( -1.857 2.759 -0.621) 3.383 0.883 ( 0.666 1.306 1.580) 2.156 0.922 ( -0.021 1.465 -1.028) 1.790 0.979 ( -2.043 -0.173 -1.421) 2.494 1.029 ( -1.598 1.027 -3.050) 3.593 1.113 ( -0.701 1.374 1.141) 1.919 1.168 ( -0.548 0.248 -0.322) 0.682 1.234 ( 2.225 1.015 1.679) 2.966 1.258 ( 1.681 -0.710 -0.047) 1.825 1.346 ( 0.670 1.385 0.884) 1.774 1.401 ( -0.986 -1.346 -1.609) 2.318 1.435 ( -0.958 2.684 -0.685) 2.931 1.527 ( 0.100 0.525 -0.057) 0.537 1.565 ( 3.112 0.944 0.108) 3.254 1.613 ( 1.142 0.024 -0.116) 1.148 1.653 ( 1.019 0.102 -0.659) 1.218 1.667 ( 2.337 0.807 1.416) 2.849 1.841 ( -2.014 1.481 0.359) 2.526 1.874 ( 0.957 1.915 -0.775) 2.277 2.153 ( -2.354 4.298 -1.731) 5.197 2.285 ( -3.003 1.946 -0.197) 3.584 2.341 ( -2.204 1.864 -0.872) 3.015 2.478 ( 0.560 2.864 1.631) 3.343 2.567 ( -0.588 0.954 -0.782) 1.366 2.721 ( 2.190 -1.531 1.447) 3.039 2.840 ( -0.697 -0.593 -0.793) 1.211 2.929 ( -2.473 1.827 0.038) 3.075 3.023 ( 2.228 -0.342 -0.382) 2.287 3.051 ( 0.401 -1.439 0.763) 1.677 3.232 ( 2.573 -0.667 1.626) 3.116 3.366 ( -1.682 -0.114 0.102) 1.689 3.628 ( 2.147 0.037 0.457) 2.195 3.672 ( -0.258 -1.369 -0.775) 1.594 3.764 ( 0.186 0.264 0.279) 0.428 3.828 ( 0.335 0.370 0.414) 0.649 4.053 ( -0.927 0.495 -2.064) 2.316 4.143 ( -1.357 0.130 1.568) 2.078 4.296 ( 0.333 0.835 0.206) 0.922 4.363 ( -1.225 -0.044 -0.133) 1.233 4.459 ( 1.021 0.216 -0.086) 1.047 4.487 ( 1.290 -2.237 0.044) 2.583 4.814 ( 0.468 -0.665 -0.377) 0.896 4.842 ( 0.490 0.293 -0.102) 0.580 4.915 ( -1.524 -0.746 0.276) 1.720 4.954 ( -1.468 -0.236 0.040) 1.487 5.089 ( 4.263 3.174 0.169) 5.317 5.170 ( -0.025 0.119 -0.148) 0.192 5.312 ( -5.092 2.792 0.320) 5.816 5.373 ( -0.413 -0.103 -0.279) 0.509 5.712 ( 0.561 -0.763 -0.021) 0.947 5.794 ( -0.135 -0.952 -0.147) 0.973 5.907 ( -0.650 -0.888 -0.438) 1.185 5.989 ( 2.424 -0.579 1.063) 2.709 6.070 ( 0.243 -0.110 -1.089) 1.122 6.142 ( 0.221 -0.215 0.736) 0.798 6.201 ( -0.627 0.528 -1.055) 1.336 6.250 ( 0.573 -0.340 1.041) 1.236 6.389 ( -0.450 -0.537 -0.915) 1.153 6.453 ( 0.018 -1.247 0.653) 1.408 8.279 ( 0.805 0.567 -0.343) 1.042 8.443 ( -0.953 -0.166 0.298) 1.013 8.651 ( -0.953 -0.636 0.218) 1.166 8.729 ( -1.410 -2.172 -0.729) 2.690 9.053 ( 3.104 0.911 0.302) 3.249 9.161 ( -0.866 0.090 0.187) 0.891 ======================= Grid point 15 (11/78) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( 0.781 8.709 1.950) 8.959 0.750 ( -1.687 7.505 -2.345) 8.042 0.810 ( -1.291 5.058 -0.621) 5.257 0.921 ( -1.130 0.267 1.931) 2.253 0.968 ( -0.117 -1.393 -0.834) 1.628 1.006 ( -0.920 -0.899 -1.832) 2.238 1.077 ( -1.089 3.218 -1.012) 3.544 1.161 ( 0.057 1.173 -0.214) 1.194 1.206 ( -0.706 3.785 1.073) 3.997 1.260 ( 0.707 3.745 0.260) 3.820 1.318 ( -0.863 0.593 -0.068) 1.049 1.377 ( 0.707 0.715 -0.594) 1.168 1.423 ( -0.827 -0.663 0.051) 1.061 1.500 ( 2.886 4.093 0.309) 5.018 1.558 ( -1.263 2.349 -0.590) 2.731 1.606 ( 0.488 0.656 -0.416) 0.917 1.654 ( 1.946 1.578 0.548) 2.564 1.680 ( 0.051 1.322 1.216) 1.797 1.764 ( -1.689 1.928 0.412) 2.596 1.853 ( -0.757 0.888 -0.765) 1.395 2.049 ( -1.741 4.612 -0.975) 5.025 2.202 ( -2.432 3.848 0.040) 4.552 2.255 ( -2.951 4.549 -0.685) 5.465 2.421 ( -1.055 3.160 0.841) 3.436 2.542 ( -0.420 1.653 -0.781) 1.876 2.774 ( 1.832 -1.775 0.710) 2.648 2.829 ( -0.895 0.826 0.021) 1.218 2.908 ( 0.217 -1.063 0.137) 1.094 3.039 ( 1.449 1.153 0.307) 1.877 3.064 ( 0.499 0.596 -1.025) 1.287 3.252 ( 0.670 0.813 0.442) 1.143 3.360 ( -0.251 -0.277 1.354) 1.404 3.576 ( 0.525 6.726 0.323) 6.754 3.654 ( 0.560 4.609 1.170) 4.788 3.721 ( -0.876 1.415 -1.897) 2.524 3.871 ( 0.830 -2.579 0.728) 2.805 4.072 ( -0.788 -4.312 -1.486) 4.629 4.163 ( -0.634 -2.725 0.989) 2.967 4.269 ( -0.119 2.090 0.242) 2.107 4.349 ( -0.305 0.815 0.108) 0.877 4.481 ( 1.076 -1.502 -0.284) 1.870 4.539 ( 0.528 -2.316 0.128) 2.379 4.833 ( 0.659 -0.572 -0.390) 0.956 4.844 ( 0.275 -0.322 0.050) 0.427 4.913 ( -1.504 -0.785 0.338) 1.730 4.948 ( -0.687 -0.343 0.064) 0.771 5.078 ( 4.565 3.165 0.024) 5.555 5.164 ( -0.339 0.515 -0.039) 0.618 5.196 ( -6.378 3.349 -0.052) 7.204 5.375 ( 0.038 -0.204 -0.206) 0.292 5.733 ( 0.358 -1.005 -0.001) 1.067 5.817 ( 0.087 -1.742 -0.069) 1.746 5.918 ( 0.000 -0.848 -0.138) 0.859 6.018 ( 0.812 -0.316 0.296) 0.920 6.082 ( 1.307 -0.683 -0.459) 1.545 6.152 ( 0.273 -0.338 0.520) 0.677 6.183 ( -0.901 0.385 -0.883) 1.319 6.266 ( 0.225 -0.719 0.794) 1.095 6.397 ( -0.026 -1.035 -0.503) 1.151 6.488 ( 0.438 -2.395 0.353) 2.460 8.265 ( 0.403 1.587 -0.438) 1.695 8.428 ( -0.677 1.019 0.322) 1.265 8.665 ( -0.414 -1.709 0.526) 1.836 8.770 ( -0.359 -3.853 -0.656) 3.925 9.066 ( 2.550 1.097 0.085) 2.777 9.144 ( -1.239 0.830 0.094) 1.495 ======================= Grid point 16 (12/78) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.455 ( 0.000 12.474 -0.000) 12.474 0.550 ( 0.000 14.183 -0.000) 14.183 0.761 ( 0.000 0.631 -0.000) 0.631 0.862 ( 0.000 13.473 -0.000) 13.473 0.910 ( 0.000 6.741 -0.000) 6.741 0.978 ( 0.000 1.026 -0.000) 1.026 1.039 ( -0.000 -3.695 0.000) 3.695 1.117 ( 0.000 1.985 -0.000) 1.985 1.171 ( 0.000 2.531 -0.000) 2.531 1.199 ( 0.000 1.842 -0.000) 1.842 1.312 ( -0.000 -0.059 0.000) 0.059 1.384 ( 0.000 2.010 -0.000) 2.010 1.398 ( 0.000 1.939 -0.000) 1.939 1.456 ( 0.000 2.669 -0.000) 2.669 1.496 ( 0.000 1.478 -0.000) 1.478 1.588 ( 0.000 1.913 -0.000) 1.913 1.625 ( 0.000 0.458 -0.000) 0.458 1.694 ( -0.000 -0.977 0.000) 0.977 1.755 ( -0.000 -0.326 0.000) 0.326 1.831 ( 0.000 0.726 -0.000) 0.726 1.959 ( 0.000 4.848 -0.000) 4.848 2.119 ( 0.000 5.074 -0.000) 5.074 2.159 ( 0.000 3.858 -0.000) 3.858 2.377 ( 0.000 1.408 -0.000) 1.408 2.499 ( 0.000 2.620 -0.000) 2.620 2.811 ( -0.000 -0.621 0.000) 0.621 2.822 ( -0.000 -1.215 0.000) 1.215 2.929 ( -0.000 -0.359 0.000) 0.359 2.995 ( 0.000 4.717 -0.000) 4.717 3.047 ( 0.000 1.209 -0.000) 1.209 3.244 ( 0.000 0.109 -0.000) 0.109 3.366 ( 0.000 0.298 -0.000) 0.298 3.462 ( 0.000 6.336 -0.000) 6.336 3.561 ( 0.000 5.352 -0.000) 5.352 3.718 ( -0.000 -1.204 0.000) 1.204 3.909 ( -0.000 -1.454 0.000) 1.454 4.146 ( -0.000 -4.425 0.000) 4.425 4.191 ( 0.000 0.262 -0.000) 0.262 4.252 ( -0.000 -1.113 0.000) 1.113 4.334 ( 0.000 0.824 -0.000) 0.824 4.515 ( -0.000 -1.612 0.000) 1.612 4.571 ( -0.000 -1.251 0.000) 1.251 4.833 ( 0.000 0.337 -0.000) 0.337 4.861 ( -0.000 -0.842 0.000) 0.842 4.918 ( -0.000 -0.792 0.000) 0.792 4.952 ( -0.000 -0.414 0.000) 0.414 5.072 ( 0.000 2.978 -0.000) 2.978 5.087 ( 0.000 1.965 -0.000) 1.965 5.159 ( 0.000 0.533 -0.000) 0.533 5.377 ( -0.000 -0.023 0.000) 0.023 5.749 ( -0.000 -0.676 0.000) 0.676 5.848 ( -0.000 -1.706 0.000) 1.706 5.933 ( -0.000 -0.835 0.000) 0.835 6.020 ( 0.000 0.286 -0.000) 0.286 6.104 ( -0.000 -0.836 0.000) 0.836 6.160 ( 0.000 0.059 -0.000) 0.059 6.167 ( 0.000 0.060 -0.000) 0.060 6.281 ( -0.000 -0.622 0.000) 0.622 6.418 ( -0.000 -1.375 0.000) 1.375 6.537 ( -0.000 -2.816 0.000) 2.816 8.235 ( 0.000 1.983 -0.000) 1.983 8.402 ( 0.000 1.646 -0.000) 1.646 8.697 ( -0.000 -1.937 0.000) 1.937 8.838 ( -0.000 -4.403 0.000) 4.403 9.065 ( 0.000 0.891 -0.000) 0.891 9.114 ( 0.000 1.555 -0.000) 1.555 ======================= Grid point 19 (13/78) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.539 ( 9.813 -0.000 2.552) 10.139 0.629 ( 10.613 -0.000 7.251) 12.853 0.857 ( 1.473 -0.000 -0.506) 1.558 0.865 ( 4.301 -0.000 0.610) 4.344 0.976 ( -1.101 0.000 0.626) 1.266 0.977 ( 3.677 -0.000 2.245) 4.308 1.126 ( -0.063 0.000 -1.812) 1.813 1.130 ( 11.109 -0.000 0.567) 11.123 1.243 ( -1.913 0.000 -2.912) 3.485 1.248 ( 0.352 -0.000 2.689) 2.712 1.274 ( 2.115 -0.000 -4.309) 4.801 1.382 ( 2.058 -0.000 1.760) 2.708 1.401 ( 2.339 -0.000 -0.617) 2.420 1.468 ( -0.449 0.000 2.065) 2.113 1.540 ( 2.119 -0.000 -1.216) 2.443 1.573 ( 2.027 -0.000 3.313) 3.884 1.631 ( -3.514 0.000 -1.612) 3.866 1.654 ( 2.309 -0.000 -1.152) 2.580 1.758 ( 3.065 -0.000 -1.223) 3.300 1.907 ( 3.906 -0.000 -2.200) 4.483 2.031 ( 6.980 -0.000 3.688) 7.894 2.207 ( 7.624 -0.000 -2.056) 7.896 2.325 ( 9.518 -0.000 0.325) 9.524 2.392 ( 3.508 -0.000 -6.708) 7.569 2.563 ( 1.362 -0.000 3.145) 3.427 2.720 ( -1.306 0.000 -4.005) 4.212 2.829 ( 0.687 -0.000 0.752) 1.018 2.887 ( 0.334 -0.000 3.452) 3.468 2.954 ( -0.863 0.000 7.837) 7.884 2.956 ( -1.682 0.000 1.625) 2.339 3.215 ( -3.278 0.000 -6.241) 7.050 3.280 ( 2.381 -0.000 -1.624) 2.882 3.339 ( 0.100 -0.000 0.123) 0.159 3.424 ( -1.543 0.000 0.020) 1.543 3.844 ( 2.582 -0.000 1.896) 3.204 3.846 ( -3.096 0.000 -2.047) 3.711 4.178 ( 1.278 -0.000 0.156) 1.288 4.258 ( 0.191 -0.000 1.657) 1.668 4.280 ( -0.720 0.000 -3.793) 3.860 4.314 ( -0.429 0.000 1.986) 2.031 4.472 ( -1.516 0.000 0.855) 1.740 4.589 ( -1.341 0.000 -0.769) 1.546 4.845 ( -0.845 0.000 -1.669) 1.871 4.851 ( -0.334 0.000 0.805) 0.871 4.915 ( -1.238 0.000 -1.769) 2.159 4.975 ( 0.938 -0.000 2.418) 2.594 5.142 ( 2.133 -0.000 -0.889) 2.311 5.181 ( 6.615 -0.000 0.490) 6.633 5.248 ( 2.961 -0.000 0.385) 2.986 5.372 ( -0.494 0.000 0.833) 0.969 5.744 ( -1.047 0.000 0.025) 1.047 5.834 ( -1.789 0.000 -1.331) 2.230 5.906 ( -0.215 0.000 1.685) 1.699 6.024 ( -3.481 0.000 -0.695) 3.549 6.069 ( -1.697 0.000 -0.499) 1.769 6.116 ( 1.299 -0.000 0.723) 1.487 6.252 ( 0.077 -0.000 -2.303) 2.304 6.268 ( -0.216 0.000 0.932) 0.957 6.376 ( -2.302 0.000 0.784) 2.432 6.536 ( -2.408 0.000 -0.408) 2.442 8.263 ( -0.095 0.000 1.445) 1.448 8.297 ( 0.690 -0.000 -1.246) 1.424 8.712 ( -0.766 0.000 -0.412) 0.870 8.771 ( -5.876 0.000 -0.906) 5.945 9.103 ( 2.863 -0.000 1.197) 3.103 9.140 ( -0.544 0.000 -0.260) 0.603 ======================= Grid point 20 (14/78) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.676 ( 6.568 -4.144 1.576) 7.925 0.762 ( 7.031 -1.986 4.936) 8.818 0.867 ( 1.160 -0.975 -2.930) 3.298 0.935 ( 0.655 -3.524 1.601) 3.926 1.000 ( 1.310 0.742 0.449) 1.571 1.027 ( 0.826 -4.719 0.459) 4.813 1.111 ( 0.352 0.511 -1.631) 1.745 1.192 ( 2.500 0.888 -2.343) 3.540 1.237 ( -0.045 -0.338 -2.341) 2.365 1.251 ( 1.497 0.058 2.195) 2.658 1.303 ( 1.862 -1.292 -0.921) 2.447 1.388 ( 2.331 1.277 0.632) 2.732 1.423 ( 1.998 0.118 1.051) 2.261 1.476 ( -0.393 -0.406 2.190) 2.262 1.533 ( 0.573 1.080 -0.548) 1.339 1.592 ( -1.914 0.138 -0.587) 2.007 1.618 ( 0.688 -1.439 0.193) 1.606 1.677 ( 2.564 -0.467 -0.567) 2.667 1.801 ( 4.618 -0.743 -0.740) 4.735 1.931 ( 5.408 1.951 -0.889) 5.818 2.125 ( 6.314 -1.295 3.650) 7.407 2.278 ( 5.339 -1.573 -3.418) 6.531 2.391 ( 2.880 0.521 -2.296) 3.720 2.446 ( 7.743 -1.636 -2.151) 8.201 2.593 ( 0.775 -1.108 1.698) 2.171 2.695 ( 0.019 0.742 -2.983) 3.074 2.850 ( 1.373 -0.741 0.552) 1.655 2.883 ( -1.091 0.492 0.799) 1.439 2.970 ( -1.061 -1.891 4.832) 5.296 2.989 ( -0.800 -1.073 5.173) 5.343 3.171 ( -1.447 -0.917 -5.505) 5.766 3.308 ( 0.314 -1.176 0.295) 1.252 3.371 ( 2.360 -3.218 -0.717) 4.055 3.429 ( -2.158 -2.818 0.013) 3.550 3.801 ( -1.730 1.112 -1.575) 2.590 3.872 ( 1.859 0.379 1.299) 2.299 4.199 ( 0.628 -0.788 -0.556) 1.151 4.239 ( -0.879 1.861 -1.667) 2.649 4.259 ( -0.505 0.827 1.829) 2.070 4.321 ( -0.438 -1.068 0.671) 1.336 4.458 ( -0.619 0.763 0.564) 1.132 4.564 ( -0.680 1.486 -0.618) 1.747 4.821 ( -1.288 0.602 -0.787) 1.625 4.856 ( -0.655 -0.583 0.058) 0.879 4.901 ( -0.629 -0.152 -1.254) 1.411 4.984 ( 0.509 0.905 1.860) 2.131 5.153 ( 1.988 0.531 -0.336) 2.085 5.207 ( 4.526 2.821 0.847) 5.400 5.316 ( 3.143 -2.308 -0.359) 3.916 5.373 ( -0.094 -0.378 0.892) 0.974 5.730 ( -0.991 0.366 0.233) 1.082 5.807 ( -2.430 0.033 -1.360) 2.785 5.909 ( -0.619 0.153 1.296) 1.445 5.970 ( -2.104 1.357 -0.086) 2.505 6.070 ( -1.621 -1.492 -0.617) 2.288 6.129 ( 1.330 0.288 0.419) 1.424 6.243 ( 0.196 0.260 -1.828) 1.856 6.259 ( -0.317 0.822 0.566) 1.047 6.362 ( -2.274 -0.611 0.676) 2.450 6.500 ( -1.678 1.532 -0.256) 2.286 8.256 ( 0.659 0.291 0.666) 0.981 8.338 ( -0.154 -3.450 -0.724) 3.528 8.690 ( -1.333 1.096 -0.785) 1.896 8.720 ( -4.703 -0.693 -0.555) 4.786 9.101 ( 1.895 2.311 0.810) 3.097 9.151 ( 0.439 -0.539 0.428) 0.817 ======================= Grid point 21 (15/78) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( 3.120 -1.993 0.910) 3.812 0.854 ( 2.519 -1.496 1.525) 3.303 0.892 ( 0.889 -1.942 -2.895) 3.597 0.968 ( 0.867 2.582 -0.614) 2.792 0.992 ( -0.855 -0.355 1.242) 1.549 1.074 ( 0.858 0.065 0.029) 0.861 1.117 ( 0.739 -1.039 -1.559) 2.013 1.190 ( -0.610 0.951 -0.047) 1.131 1.230 ( 0.132 0.471 0.268) 0.558 1.272 ( 0.812 -1.260 0.321) 1.533 1.339 ( 0.986 -1.219 -1.264) 2.014 1.389 ( 1.830 1.264 1.618) 2.750 1.456 ( 1.126 -1.396 -0.438) 1.846 1.494 ( -0.312 -2.782 0.962) 2.960 1.536 ( 1.000 -0.314 -0.546) 1.182 1.577 ( 0.222 0.262 0.163) 0.380 1.636 ( -0.330 -0.623 0.156) 0.723 1.713 ( 2.013 -0.799 -0.450) 2.212 1.845 ( 3.040 0.105 -1.031) 3.212 1.948 ( 5.682 2.441 0.141) 6.186 2.211 ( 3.995 -0.901 2.250) 4.673 2.319 ( 1.252 0.021 -2.664) 2.943 2.377 ( -0.563 1.205 -1.728) 2.181 2.523 ( 5.866 -0.061 -1.353) 6.020 2.613 ( 0.387 0.515 0.933) 1.134 2.686 ( 0.630 -0.088 0.445) 0.777 2.836 ( -2.374 0.933 1.325) 2.874 2.912 ( 2.039 -2.264 -2.730) 4.091 2.995 ( -2.945 -1.245 1.695) 3.619 3.008 ( 0.042 -0.903 3.362) 3.482 3.189 ( 0.950 -2.268 -0.171) 2.464 3.329 ( -0.530 -1.620 -0.984) 1.968 3.462 ( 0.117 -5.257 -0.445) 5.277 3.499 ( 1.230 -6.686 0.759) 6.840 3.767 ( -0.546 1.056 -0.963) 1.530 3.878 ( 1.226 1.139 0.806) 1.858 4.160 ( -1.366 3.132 -2.369) 4.158 4.214 ( -0.796 2.092 1.823) 2.886 4.263 ( 0.701 -1.430 0.660) 1.724 4.342 ( -0.657 -1.512 -0.028) 1.648 4.443 ( 0.414 0.734 0.144) 0.855 4.526 ( -0.093 2.217 -0.264) 2.234 4.802 ( -0.813 0.009 -0.506) 0.958 4.855 ( -0.542 -0.022 -0.117) 0.555 4.899 ( -0.315 -0.499 -0.613) 0.851 4.969 ( -0.315 1.492 0.994) 1.821 5.162 ( 1.320 0.231 -0.018) 1.340 5.203 ( 4.076 2.919 0.277) 5.021 5.348 ( -0.026 -0.256 0.407) 0.482 5.384 ( -0.578 0.115 0.193) 0.620 5.713 ( -0.780 0.610 -0.028) 0.990 5.781 ( -1.658 -0.179 -0.657) 1.792 5.890 ( -1.367 0.384 -0.046) 1.420 5.967 ( 1.147 -0.710 1.101) 1.741 6.070 ( -1.226 -0.548 -0.807) 1.567 6.138 ( 0.862 0.070 0.398) 0.952 6.229 ( -0.116 0.858 -1.631) 1.846 6.251 ( 0.349 0.358 0.924) 1.051 6.358 ( -1.871 -1.236 0.141) 2.247 6.459 ( -0.721 1.560 -0.028) 1.718 8.272 ( 1.128 -0.659 0.278) 1.335 8.387 ( -0.882 -3.037 -0.335) 3.181 8.654 ( -1.884 0.591 -0.893) 2.167 8.694 ( -2.417 -0.408 -0.171) 2.458 9.091 ( 2.244 1.496 0.621) 2.768 9.157 ( -0.142 0.057 0.392) 0.420 ======================= Grid point 22 (16/78) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( 3.346 1.781 0.791) 3.872 0.874 ( -0.976 -0.105 -1.388) 1.700 0.907 ( -0.654 0.538 0.026) 0.847 0.927 ( 0.503 1.642 -0.186) 1.727 0.972 ( -0.468 1.255 0.395) 1.397 1.046 ( -0.308 3.150 -1.679) 3.583 1.127 ( -1.030 -0.220 0.173) 1.068 1.167 ( -0.519 1.018 -0.567) 1.275 1.251 ( 2.281 -1.233 1.622) 3.059 1.283 ( 0.462 0.610 0.431) 0.878 1.345 ( -1.127 -0.814 -0.354) 1.435 1.398 ( 1.460 0.738 0.202) 1.648 1.470 ( 0.431 1.138 -0.722) 1.415 1.521 ( -0.951 -0.017 -0.330) 1.007 1.579 ( 1.605 -1.700 -0.524) 2.396 1.599 ( 1.224 -3.005 1.485) 3.568 1.644 ( -0.174 -0.783 -0.558) 0.977 1.728 ( 1.025 0.673 0.222) 1.246 1.850 ( 1.556 1.681 -1.088) 2.536 1.945 ( 2.387 3.539 0.412) 4.288 2.209 ( 0.070 4.341 -0.664) 4.392 2.291 ( -1.155 1.581 -0.217) 1.970 2.346 ( -1.219 1.019 -0.690) 1.732 2.546 ( 2.316 2.908 0.481) 3.749 2.590 ( 0.174 1.900 -0.300) 1.931 2.710 ( 0.507 -1.782 1.290) 2.257 2.815 ( -1.064 -0.555 -0.345) 1.249 2.924 ( -1.665 0.265 -0.984) 1.952 3.013 ( 0.654 -2.247 -0.284) 2.358 3.038 ( 0.280 -1.246 1.525) 1.990 3.243 ( 1.649 -1.812 1.686) 2.974 3.337 ( -1.164 -0.891 -0.962) 1.753 3.567 ( 0.024 -6.980 -0.312) 6.987 3.632 ( 1.819 -5.591 0.524) 5.903 3.747 ( -0.411 0.242 -0.272) 0.549 3.864 ( 0.435 1.872 0.309) 1.947 4.081 ( -0.887 3.745 -1.398) 4.095 4.166 ( -0.728 2.890 1.149) 3.194 4.300 ( 0.719 -1.335 0.198) 1.529 4.346 ( -1.056 -0.194 -0.204) 1.093 4.455 ( 0.695 -1.349 0.085) 1.520 4.493 ( 0.367 1.601 -0.065) 1.644 4.802 ( -0.091 -0.752 -0.310) 0.819 4.850 ( -0.023 0.081 -0.098) 0.129 4.902 ( -0.208 -0.013 -0.002) 0.209 4.943 ( -0.844 0.712 0.258) 1.134 5.169 ( 0.380 0.072 0.118) 0.404 5.193 ( 4.236 3.159 -0.185) 5.288 5.317 ( -3.763 3.111 0.563) 4.915 5.366 ( -0.452 -0.161 -0.209) 0.524 5.705 ( -0.090 -0.316 -0.095) 0.342 5.779 ( -0.303 -0.664 -0.087) 0.735 5.884 ( -0.537 -0.777 -0.274) 0.983 6.001 ( 1.532 -0.923 0.866) 1.987 6.064 ( -0.425 -0.320 -0.649) 0.839 6.144 ( 0.220 0.096 0.271) 0.362 6.207 ( -0.180 0.934 -0.604) 1.127 6.255 ( 0.381 0.019 0.481) 0.614 6.366 ( -0.833 -1.273 -0.397) 1.573 6.441 ( -0.192 0.037 0.248) 0.315 8.292 ( 0.916 -0.123 -0.059) 0.926 8.417 ( -0.927 -1.787 0.073) 2.015 8.633 ( -1.083 -0.174 -0.350) 1.151 8.687 ( -0.916 -1.060 -0.179) 1.412 9.098 ( 2.333 0.832 0.278) 2.493 9.151 ( -0.996 -0.002 0.184) 1.013 ======================= Grid point 23 (17/78) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( 0.000 6.400 -0.000) 6.400 0.812 ( 0.000 3.902 -0.000) 3.902 0.888 ( 0.000 1.957 -0.000) 1.957 0.940 ( -0.000 -0.741 0.000) 0.741 0.944 ( 0.000 1.913 -0.000) 1.913 0.985 ( 0.000 1.063 -0.000) 1.063 1.116 ( 0.000 1.655 -0.000) 1.655 1.150 ( -0.000 -0.440 0.000) 0.440 1.265 ( 0.000 1.963 -0.000) 1.963 1.297 ( -0.000 -1.429 0.000) 1.429 1.342 ( 0.000 1.957 -0.000) 1.957 1.390 ( 0.000 0.794 -0.000) 0.794 1.418 ( 0.000 2.472 -0.000) 2.472 1.528 ( -0.000 -0.796 0.000) 0.796 1.591 ( 0.000 0.364 -0.000) 0.364 1.634 ( 0.000 1.916 -0.000) 1.916 1.660 ( -0.000 -1.412 0.000) 1.412 1.727 ( 0.000 0.583 -0.000) 0.583 1.804 ( 0.000 4.241 -0.000) 4.241 1.884 ( 0.000 3.831 -0.000) 3.831 2.118 ( 0.000 5.129 -0.000) 5.129 2.245 ( 0.000 2.912 -0.000) 2.912 2.307 ( 0.000 2.898 -0.000) 2.898 2.481 ( 0.000 4.495 -0.000) 4.495 2.569 ( 0.000 1.495 -0.000) 1.495 2.752 ( -0.000 -2.079 0.000) 2.079 2.827 ( -0.000 -0.969 0.000) 0.969 2.899 ( 0.000 0.670 -0.000) 0.670 3.052 ( -0.000 -1.396 0.000) 1.396 3.058 ( -0.000 -0.527 0.000) 0.527 3.271 ( 0.000 0.238 -0.000) 0.238 3.345 ( -0.000 -1.193 0.000) 1.193 3.654 ( -0.000 -1.707 0.000) 1.707 3.667 ( 0.000 1.494 -0.000) 1.494 3.772 ( -0.000 -0.363 0.000) 0.363 3.833 ( 0.000 0.217 -0.000) 0.217 4.029 ( 0.000 0.683 -0.000) 0.683 4.134 ( 0.000 0.063 -0.000) 0.063 4.302 ( 0.000 1.457 -0.000) 1.457 4.348 ( -0.000 -0.637 0.000) 0.637 4.471 ( -0.000 -0.095 0.000) 0.095 4.502 ( -0.000 -2.318 0.000) 2.318 4.820 ( -0.000 -1.275 0.000) 1.275 4.848 ( 0.000 0.342 -0.000) 0.342 4.897 ( -0.000 -0.087 0.000) 0.087 4.938 ( -0.000 -0.330 0.000) 0.330 5.168 ( 0.000 0.330 -0.000) 0.330 5.175 ( 0.000 2.791 -0.000) 2.791 5.214 ( 0.000 4.805 -0.000) 4.805 5.370 ( -0.000 -0.383 0.000) 0.383 5.717 ( -0.000 -1.020 0.000) 1.020 5.792 ( -0.000 -1.164 0.000) 1.164 5.899 ( -0.000 -1.235 0.000) 1.235 6.021 ( -0.000 -0.231 0.000) 0.231 6.073 ( -0.000 -0.951 0.000) 0.951 6.145 ( -0.000 -0.244 0.000) 0.244 6.191 ( 0.000 0.867 -0.000) 0.867 6.260 ( -0.000 -0.316 0.000) 0.316 6.379 ( -0.000 -0.938 0.000) 0.938 6.456 ( -0.000 -1.672 0.000) 1.672 8.289 ( 0.000 0.925 -0.000) 0.925 8.430 ( -0.000 -0.319 0.000) 0.319 8.638 ( -0.000 -1.172 0.000) 1.172 8.712 ( -0.000 -2.500 0.000) 2.500 9.098 ( 0.000 0.969 -0.000) 0.969 9.145 ( 0.000 0.125 -0.000) 0.125 ======================= Grid point 28 (18/78) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( 4.702 -0.000 -1.086) 4.826 0.813 ( 3.838 -0.000 1.574) 4.148 0.845 ( -1.779 0.000 -0.196) 1.789 0.932 ( 3.534 -0.000 1.784) 3.959 0.959 ( -0.349 0.000 -0.444) 0.565 1.043 ( 1.932 -0.000 0.779) 2.084 1.103 ( -0.134 0.000 -2.110) 2.114 1.210 ( 0.177 -0.000 -0.609) 0.634 1.229 ( -1.087 0.000 1.125) 1.564 1.285 ( 1.484 -0.000 0.202) 1.498 1.292 ( 1.699 -0.000 -2.135) 2.728 1.414 ( 1.236 -0.000 1.013) 1.599 1.471 ( 1.995 -0.000 0.918) 2.196 1.471 ( -0.809 0.000 2.158) 2.304 1.549 ( 1.129 -0.000 -1.728) 2.064 1.585 ( -0.805 0.000 -0.445) 0.920 1.593 ( 0.179 -0.000 0.411) 0.448 1.684 ( 1.095 -0.000 -0.899) 1.417 1.839 ( 4.004 -0.000 -0.070) 4.004 2.004 ( 5.273 -0.000 0.337) 5.284 2.193 ( 6.209 -0.000 2.895) 6.850 2.295 ( 3.942 -0.000 -4.543) 6.015 2.410 ( 0.698 -0.000 -1.360) 1.528 2.510 ( 8.023 -0.000 0.069) 8.024 2.598 ( 1.650 -0.000 -0.533) 1.734 2.699 ( 1.543 -0.000 -2.459) 2.903 2.863 ( 2.211 -0.000 -0.865) 2.374 2.885 ( -1.634 0.000 1.484) 2.207 2.941 ( -2.209 0.000 3.373) 4.032 2.995 ( -1.155 0.000 5.393) 5.516 3.134 ( 0.487 -0.000 -5.985) 6.004 3.294 ( -1.518 0.000 1.345) 2.028 3.376 ( 3.653 -0.000 0.006) 3.653 3.381 ( -2.720 0.000 0.415) 2.752 3.791 ( -0.930 0.000 -1.096) 1.438 3.900 ( 1.821 -0.000 0.951) 2.055 4.192 ( -0.241 0.000 -1.283) 1.306 4.236 ( -0.776 0.000 -1.351) 1.558 4.268 ( -0.816 0.000 2.106) 2.259 4.305 ( -0.871 0.000 0.486) 0.997 4.465 ( 0.071 -0.000 0.669) 0.673 4.571 ( -0.040 0.000 -0.694) 0.696 4.811 ( -1.256 0.000 -0.848) 1.516 4.842 ( -0.686 0.000 0.342) 0.766 4.890 ( -0.486 0.000 -0.994) 1.106 5.006 ( 0.544 -0.000 1.708) 1.793 5.164 ( 0.482 -0.000 0.200) 0.522 5.303 ( 2.456 -0.000 -1.006) 2.655 5.306 ( 4.218 -0.000 0.270) 4.226 5.376 ( 0.944 -0.000 1.361) 1.656 5.725 ( -0.811 0.000 0.345) 0.881 5.773 ( -2.948 0.000 -1.288) 3.217 5.916 ( 0.070 -0.000 1.103) 1.105 5.956 ( -2.663 0.000 -0.208) 2.672 6.038 ( -0.876 0.000 -0.414) 0.969 6.144 ( 0.937 -0.000 -0.033) 0.937 6.241 ( 0.189 -0.000 -1.625) 1.636 6.262 ( -0.702 0.000 0.601) 0.924 6.339 ( -1.724 0.000 0.592) 1.823 6.497 ( -1.214 0.000 -0.100) 1.218 8.269 ( -0.103 0.000 0.844) 0.850 8.302 ( 0.664 -0.000 -0.991) 1.193 8.658 ( -4.345 0.000 -0.810) 4.420 8.695 ( -0.555 0.000 -0.225) 0.599 9.129 ( -0.354 0.000 -0.093) 0.366 9.162 ( 1.959 -0.000 1.099) 2.246 ======================= Grid point 29 (19/78) ======================= q-point: ( 0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( 0.116 -2.766 -1.954) 3.389 0.856 ( 0.743 -1.473 0.559) 1.742 0.864 ( 1.563 -2.603 0.033) 3.037 0.961 ( 0.289 -0.894 0.747) 1.200 1.016 ( 0.654 -1.461 -0.101) 1.604 1.053 ( 0.773 -1.681 0.537) 1.926 1.107 ( 0.465 -0.602 -0.616) 0.979 1.202 ( 0.119 0.844 0.008) 0.852 1.218 ( -0.244 0.236 -0.653) 0.736 1.276 ( 0.305 0.442 0.479) 0.719 1.328 ( 0.944 -1.686 -0.716) 2.061 1.424 ( 0.852 -0.061 0.731) 1.125 1.453 ( -0.075 1.016 1.291) 1.645 1.473 ( -1.044 0.896 -0.425) 1.439 1.540 ( 0.953 0.346 -0.136) 1.023 1.589 ( 0.141 0.075 0.094) 0.185 1.618 ( 0.662 -1.427 -0.260) 1.594 1.698 ( 0.289 -1.049 -0.657) 1.271 1.872 ( 2.065 -0.243 0.101) 2.082 2.035 ( 3.438 1.547 0.268) 3.779 2.252 ( 3.491 -0.062 1.463) 3.786 2.320 ( 1.744 -0.589 -2.488) 3.095 2.395 ( -0.365 1.650 -0.476) 1.755 2.577 ( 4.667 0.077 -0.496) 4.694 2.615 ( 0.701 -0.579 0.161) 0.923 2.703 ( 1.234 0.624 -0.782) 1.589 2.850 ( -1.170 2.152 1.109) 2.689 2.888 ( 0.634 -1.361 -1.011) 1.810 2.950 ( -1.554 -1.506 1.035) 2.399 3.002 ( -1.031 -0.618 2.178) 2.488 3.148 ( 1.152 -2.404 -2.000) 3.333 3.299 ( -0.485 -1.541 0.234) 1.633 3.380 ( -1.981 -2.757 0.010) 3.395 3.436 ( 2.129 -3.409 0.841) 4.106 3.778 ( 0.061 0.677 -0.385) 0.781 3.909 ( 0.923 0.880 0.415) 1.341 4.172 ( -1.204 1.039 -1.661) 2.300 4.230 ( 0.035 0.151 0.328) 0.363 4.261 ( -0.597 0.320 1.344) 1.505 4.313 ( -0.212 -1.271 -0.146) 1.297 4.462 ( 0.237 0.797 0.309) 0.887 4.557 ( 0.117 1.464 -0.358) 1.511 4.795 ( -0.612 0.281 -0.343) 0.755 4.845 ( -0.336 -0.573 0.109) 0.673 4.885 ( -0.386 -0.264 -0.527) 0.704 5.001 ( 0.190 1.526 0.847) 1.755 5.168 ( 0.209 -0.038 0.184) 0.281 5.289 ( 2.463 2.476 -0.530) 3.532 5.344 ( 0.340 -0.653 0.067) 0.740 5.393 ( 0.959 0.772 0.820) 1.480 5.714 ( -0.741 0.554 -0.043) 0.926 5.752 ( -1.582 -0.874 -0.534) 1.884 5.897 ( -0.645 1.448 0.137) 1.591 5.958 ( 0.015 -1.618 0.550) 1.709 6.040 ( -0.735 -0.985 -0.401) 1.293 6.148 ( 0.445 0.164 -0.057) 0.477 6.235 ( 0.098 0.367 -0.949) 1.022 6.258 ( -0.147 0.054 0.415) 0.443 6.329 ( -1.131 -0.297 0.302) 1.208 6.478 ( -0.480 1.190 -0.022) 1.283 8.273 ( 0.542 -0.420 0.288) 0.743 8.329 ( -0.246 -2.543 -0.395) 2.585 8.626 ( -2.292 -0.451 -0.427) 2.374 8.685 ( -0.358 0.523 -0.148) 0.651 9.121 ( 0.196 0.524 0.062) 0.563 9.172 ( 0.774 0.877 0.528) 1.283 ======================= Grid point 30 (20/78) ======================= q-point: (-0.38 -0.62 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( -0.000 -3.942 0.000) 3.942 0.868 ( -0.000 -0.248 0.000) 0.248 0.917 ( -0.000 -0.379 0.000) 0.379 0.974 ( 0.000 0.291 -0.000) 0.291 0.984 ( 0.000 2.235 -0.000) 2.235 1.094 ( 0.000 1.706 -0.000) 1.706 1.103 ( -0.000 -0.802 0.000) 0.802 1.182 ( 0.000 1.041 -0.000) 1.041 1.242 ( -0.000 -2.291 0.000) 2.291 1.277 ( -0.000 -0.225 0.000) 0.225 1.345 ( 0.000 0.445 -0.000) 0.445 1.422 ( 0.000 1.454 -0.000) 1.454 1.463 ( -0.000 -1.531 0.000) 1.531 1.482 ( -0.000 -3.738 0.000) 3.738 1.553 ( -0.000 -0.906 0.000) 0.906 1.586 ( 0.000 0.017 -0.000) 0.017 1.634 ( -0.000 -0.351 0.000) 0.351 1.719 ( -0.000 -1.299 0.000) 1.299 1.882 ( 0.000 0.593 -0.000) 0.593 2.017 ( 0.000 2.943 -0.000) 2.943 2.268 ( 0.000 1.263 -0.000) 1.263 2.314 ( 0.000 1.678 -0.000) 1.678 2.356 ( 0.000 1.691 -0.000) 1.691 2.594 ( 0.000 0.589 -0.000) 0.589 2.622 ( 0.000 1.031 -0.000) 1.031 2.696 ( 0.000 0.208 -0.000) 0.208 2.813 ( 0.000 1.279 -0.000) 1.279 2.906 ( -0.000 -0.933 0.000) 0.933 2.974 ( -0.000 -2.276 0.000) 2.276 3.019 ( -0.000 -1.382 0.000) 1.382 3.205 ( -0.000 -3.576 0.000) 3.576 3.319 ( -0.000 -0.768 0.000) 0.768 3.447 ( -0.000 -6.337 0.000) 6.337 3.533 ( -0.000 -6.463 0.000) 6.463 3.763 ( 0.000 1.211 -0.000) 1.211 3.894 ( 0.000 1.432 -0.000) 1.432 4.130 ( 0.000 2.758 -0.000) 2.758 4.211 ( 0.000 2.220 -0.000) 2.220 4.274 ( -0.000 -1.671 0.000) 1.671 4.332 ( -0.000 -1.004 0.000) 1.004 4.451 ( 0.000 0.443 -0.000) 0.443 4.526 ( 0.000 2.031 -0.000) 2.031 4.791 ( -0.000 -0.288 0.000) 0.288 4.849 ( -0.000 -0.063 0.000) 0.063 4.891 ( -0.000 -0.849 0.000) 0.849 4.970 ( 0.000 2.259 -0.000) 2.259 5.170 ( -0.000 -0.032 0.000) 0.032 5.263 ( 0.000 2.378 -0.000) 2.378 5.349 ( 0.000 1.159 -0.000) 1.159 5.365 ( 0.000 1.670 -0.000) 1.670 5.702 ( 0.000 0.213 -0.000) 0.213 5.762 ( -0.000 -1.060 0.000) 1.060 5.877 ( 0.000 0.454 -0.000) 0.454 5.990 ( -0.000 -1.576 0.000) 1.576 6.050 ( -0.000 -0.749 0.000) 0.749 6.149 ( 0.000 0.109 -0.000) 0.109 6.222 ( 0.000 0.978 -0.000) 0.978 6.259 ( 0.000 0.033 -0.000) 0.033 6.336 ( -0.000 -1.291 0.000) 1.291 6.453 ( 0.000 1.318 -0.000) 1.318 8.289 ( -0.000 -0.745 0.000) 0.745 8.372 ( -0.000 -2.809 0.000) 2.809 8.622 ( -0.000 -0.365 0.000) 0.365 8.675 ( 0.000 0.158 -0.000) 0.158 9.118 ( 0.000 0.174 -0.000) 0.174 9.157 ( 0.000 1.192 -0.000) 1.192 ======================= Grid point 39 (21/78) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( 0.000 -0.000 0.000) 0.000 0.837 ( 0.000 -0.000 0.000) 0.000 0.846 ( 0.000 -0.000 0.000) 0.000 0.955 ( 0.000 -0.000 0.000) 0.000 0.983 ( 0.000 -0.000 0.000) 0.000 1.068 ( 0.000 -0.000 0.000) 0.000 1.098 ( 0.000 -0.000 0.000) 0.000 1.214 ( 0.000 -0.000 0.000) 0.000 1.219 ( 0.000 -0.000 0.000) 0.000 1.292 ( 0.000 -0.000 -0.000) 0.000 1.303 ( 0.000 -0.000 0.000) 0.000 1.425 ( 0.000 -0.000 0.000) 0.000 1.469 ( 0.000 -0.000 0.000) 0.000 1.480 ( 0.000 -0.000 0.000) 0.000 1.566 ( 0.000 -0.000 -0.000) 0.000 1.570 ( 0.000 -0.000 0.000) 0.000 1.610 ( 0.000 -0.000 0.000) 0.000 1.691 ( 0.000 -0.000 0.000) 0.000 1.879 ( 0.000 -0.000 0.000) 0.000 2.064 ( 0.000 -0.000 0.000) 0.000 2.275 ( 0.000 -0.000 0.000) 0.000 2.318 ( 0.000 -0.000 0.000) 0.000 2.408 ( 0.000 -0.000 0.000) 0.000 2.600 ( 0.000 -0.000 0.000) 0.000 2.617 ( 0.000 -0.000 -0.000) 0.000 2.713 ( 0.000 -0.000 0.000) 0.000 2.871 ( 0.000 -0.000 0.000) 0.000 2.876 ( 0.000 -0.000 0.000) 0.000 2.930 ( 0.000 -0.000 -0.000) 0.000 2.992 ( 0.000 -0.000 0.000) 0.000 3.132 ( 0.000 -0.000 0.000) 0.000 3.277 ( 0.000 -0.000 0.000) 0.000 3.347 ( 0.000 -0.000 0.000) 0.000 3.421 ( -0.000 0.000 -0.000) 0.000 3.784 ( 0.000 -0.000 0.000) 0.000 3.923 ( 0.000 -0.000 0.000) 0.000 4.169 ( 0.000 -0.000 -0.000) 0.000 4.233 ( 0.000 -0.000 0.000) 0.000 4.262 ( 0.000 -0.000 0.000) 0.000 4.300 ( 0.000 -0.000 0.000) 0.000 4.471 ( 0.000 -0.000 0.000) 0.000 4.570 ( -0.000 0.000 0.000) 0.000 4.795 ( 0.000 -0.000 0.000) 0.000 4.836 ( 0.000 -0.000 0.000) 0.000 4.880 ( 0.000 -0.000 0.000) 0.000 5.018 ( 0.000 -0.000 0.000) 0.000 5.169 ( 0.000 -0.000 0.000) 0.000 5.324 ( 0.000 -0.000 0.000) 0.000 5.334 ( 0.000 -0.000 0.000) 0.000 5.414 ( 0.000 -0.000 0.000) 0.000 5.719 ( 0.000 -0.000 0.000) 0.000 5.730 ( 0.000 -0.000 0.000) 0.000 5.921 ( 0.000 -0.000 0.000) 0.000 5.927 ( 0.000 -0.000 0.000) 0.000 6.029 ( 0.000 -0.000 0.000) 0.000 6.152 ( 0.000 -0.000 -0.000) 0.000 6.237 ( 0.000 -0.000 0.000) 0.000 6.257 ( 0.000 -0.000 0.000) 0.000 6.323 ( 0.000 -0.000 0.000) 0.000 6.486 ( 0.000 -0.000 0.000) 0.000 8.271 ( 0.000 -0.000 0.000) 0.000 8.306 ( 0.000 -0.000 0.000) 0.000 8.608 ( 0.000 -0.000 0.000) 0.000 8.689 ( 0.000 -0.000 0.000) 0.000 9.125 ( 0.000 -0.000 0.000) 0.000 9.187 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 69 (22/78) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.319 ( -1.959 0.000 14.566) 14.697 0.320 ( 0.379 -0.000 14.635) 14.640 0.611 ( -1.255 0.000 24.705) 24.737 0.783 ( -0.044 0.000 -4.246) 4.246 0.824 ( 2.492 -0.000 -2.538) 3.557 0.958 ( 0.355 -0.000 0.818) 0.892 0.972 ( -0.841 0.000 -0.950) 1.269 1.114 ( 0.701 -0.000 -0.754) 1.029 1.146 ( 2.485 -0.000 0.535) 2.542 1.203 ( 1.530 -0.000 -2.418) 2.862 1.287 ( -0.265 0.000 0.084) 0.278 1.330 ( -3.202 0.000 1.407) 3.497 1.354 ( -0.510 0.000 3.055) 3.097 1.430 ( 0.052 -0.000 -1.016) 1.017 1.495 ( 0.035 -0.000 1.046) 1.047 1.545 ( -0.345 0.000 -1.131) 1.182 1.675 ( -0.259 0.000 2.710) 2.723 1.684 ( -0.444 0.000 -1.905) 1.956 1.767 ( 0.803 -0.000 0.030) 0.803 1.797 ( -0.659 0.000 -4.922) 4.966 1.842 ( 0.996 -0.000 1.978) 2.215 1.995 ( -1.000 0.000 -1.080) 1.472 2.103 ( 1.292 -0.000 1.065) 1.674 2.293 ( -2.375 0.000 -7.603) 7.965 2.581 ( 1.911 -0.000 2.889) 3.464 2.732 ( 0.180 -0.000 -6.949) 6.952 2.847 ( 0.150 -0.000 4.217) 4.220 2.859 ( 4.172 -0.000 3.082) 5.187 2.996 ( 1.161 -0.000 4.983) 5.117 3.024 ( -1.395 0.000 -0.970) 1.699 3.133 ( 1.007 -0.000 -7.217) 7.286 3.324 ( -3.312 0.000 -5.562) 6.474 3.408 ( -1.189 0.000 3.426) 3.626 3.445 ( 0.160 -0.000 0.973) 0.986 3.773 ( 1.599 -0.000 2.908) 3.318 3.913 ( -0.615 0.000 -2.027) 2.118 4.165 ( -0.487 0.000 0.941) 1.059 4.229 ( 1.022 -0.000 -1.170) 1.554 4.289 ( 1.497 -0.000 0.428) 1.557 4.341 ( -4.794 0.000 -1.299) 4.967 4.537 ( 0.814 -0.000 0.954) 1.254 4.580 ( -0.429 0.000 -0.732) 0.849 4.839 ( 0.601 -0.000 1.559) 1.671 4.901 ( -3.424 0.000 -0.558) 3.469 4.912 ( 1.772 -0.000 0.301) 1.797 4.935 ( -0.770 0.000 -0.702) 1.042 5.029 ( 0.239 -0.000 0.345) 0.419 5.045 ( -0.537 0.000 -0.260) 0.597 5.313 ( -2.451 0.000 1.502) 2.875 5.370 ( 0.693 -0.000 -0.558) 0.890 5.802 ( -3.076 0.000 0.812) 3.181 5.850 ( 0.311 -0.000 -1.272) 1.309 5.932 ( -0.023 0.000 2.481) 2.482 6.061 ( 3.658 -0.000 -2.572) 4.471 6.117 ( -1.480 0.000 -0.237) 1.499 6.117 ( -0.305 0.000 -0.068) 0.313 6.183 ( 3.356 -0.000 1.727) 3.774 6.261 ( -1.322 0.000 -1.420) 1.941 6.453 ( -0.362 0.000 2.370) 2.398 6.573 ( 0.678 -0.000 -2.163) 2.267 8.222 ( 2.267 -0.000 1.299) 2.613 8.279 ( -0.553 0.000 -0.844) 1.009 8.843 ( -4.068 0.000 1.189) 4.238 8.916 ( 1.647 -0.000 -1.581) 2.283 9.024 ( -1.253 0.000 0.917) 1.552 9.069 ( 2.598 -0.000 -0.822) 2.725 ======================= Grid point 70 (23/78) ======================= q-point: ( 0.12 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.458 ( 1.801 -6.394 11.523) 13.301 0.504 ( 7.510 -8.512 9.356) 14.710 0.724 ( 2.679 -1.340 2.609) 3.972 0.827 ( 2.509 -3.208 0.952) 4.182 0.866 ( 2.357 -6.570 4.690) 8.409 0.971 ( 0.531 -1.360 0.565) 1.566 1.022 ( 0.935 -3.918 -0.560) 4.067 1.110 ( 0.873 1.820 -0.160) 2.024 1.170 ( 2.987 -1.248 1.218) 3.459 1.225 ( 0.099 0.570 -1.290) 1.413 1.265 ( -0.349 -0.772 -0.608) 1.042 1.324 ( -1.677 -1.256 0.279) 2.114 1.373 ( 1.033 -0.323 1.624) 1.952 1.441 ( 2.443 -0.481 -0.912) 2.651 1.504 ( 1.318 -0.004 0.532) 1.422 1.549 ( -0.104 -1.077 -0.345) 1.135 1.666 ( -1.242 0.633 2.005) 2.442 1.675 ( -1.242 0.447 -1.152) 1.752 1.751 ( 0.145 0.459 -0.193) 0.518 1.798 ( 0.474 -0.899 -3.952) 4.080 1.904 ( 4.314 -3.277 2.673) 6.042 2.029 ( 2.731 -3.498 -2.219) 4.962 2.153 ( 3.566 -2.277 1.644) 4.539 2.264 ( -1.179 -2.350 -7.343) 7.799 2.594 ( 0.848 -0.077 3.601) 3.701 2.712 ( -0.862 -0.546 -5.694) 5.784 2.865 ( 0.678 -0.251 4.012) 4.077 2.924 ( 0.427 -1.082 3.268) 3.469 3.009 ( -1.458 -1.845 -0.802) 2.485 3.028 ( 0.741 -0.093 3.473) 3.552 3.147 ( 1.780 -2.651 -4.705) 5.686 3.277 ( -3.166 -1.080 -6.516) 7.325 3.415 ( -1.263 -1.276 2.585) 3.147 3.470 ( 0.005 -2.242 -0.096) 2.244 3.797 ( 1.673 0.622 3.197) 3.662 3.888 ( -1.253 0.808 -2.629) 3.023 4.173 ( -0.084 -0.942 0.962) 1.350 4.231 ( 1.028 0.925 -0.699) 1.549 4.272 ( -2.353 2.054 -0.282) 3.136 4.305 ( 1.178 0.472 0.328) 1.311 4.540 ( -0.995 0.458 0.995) 1.480 4.573 ( 0.221 0.464 -1.397) 1.488 4.854 ( 0.441 -0.208 1.598) 1.671 4.865 ( -2.193 0.089 0.233) 2.207 4.925 ( 0.873 0.589 -0.668) 1.247 4.943 ( 1.323 -0.065 -0.475) 1.407 5.029 ( -0.477 0.249 0.402) 0.672 5.075 ( 3.824 -2.431 -0.141) 4.534 5.263 ( -1.708 2.301 4.012) 4.930 5.373 ( 0.576 0.172 -0.783) 0.987 5.776 ( -1.259 0.610 1.606) 2.130 5.845 ( -0.273 0.451 -1.364) 1.462 5.945 ( -0.399 -0.387 2.080) 2.153 6.045 ( 0.180 1.610 -2.005) 2.577 6.102 ( -0.124 0.125 0.823) 0.842 6.123 ( -1.114 -0.393 -1.306) 1.761 6.222 ( 2.817 0.296 1.524) 3.217 6.244 ( -1.237 -0.195 -2.281) 2.602 6.449 ( -0.945 0.701 1.924) 2.255 6.549 ( -0.374 2.020 -2.262) 3.056 8.245 ( 0.502 -0.674 1.569) 1.780 8.315 ( 0.875 -3.363 -2.322) 4.179 8.768 ( -3.639 3.025 2.655) 5.427 8.893 ( -0.165 2.383 -1.145) 2.649 9.029 ( -1.055 -0.654 0.296) 1.277 9.104 ( 2.849 -0.761 -1.056) 3.133 ======================= Grid point 71 (24/78) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.604 ( 3.476 -3.341 8.028) 9.364 0.742 ( 5.383 -7.533 5.141) 10.591 0.766 ( 2.918 -1.710 -1.616) 3.748 0.863 ( 3.505 -0.552 -2.766) 4.499 0.968 ( 1.214 -0.950 -1.985) 2.514 1.031 ( 0.188 -0.284 -1.305) 1.349 1.097 ( 0.021 -1.438 0.356) 1.481 1.147 ( 2.345 -5.764 2.880) 6.857 1.205 ( -0.389 -0.472 0.655) 0.896 1.233 ( 1.447 -1.138 2.140) 2.823 1.270 ( -0.858 -2.553 -1.508) 3.086 1.345 ( -0.515 -1.661 1.789) 2.495 1.403 ( 2.304 -1.207 -0.428) 2.636 1.472 ( 1.658 -0.578 0.267) 1.776 1.535 ( 1.888 -0.830 -0.429) 2.107 1.559 ( 0.011 -0.361 -1.404) 1.450 1.642 ( -2.109 -0.046 1.620) 2.660 1.662 ( -0.500 -0.502 0.698) 0.995 1.751 ( 0.304 0.321 -0.173) 0.475 1.816 ( 1.406 -1.901 -2.774) 3.645 2.041 ( 6.270 -4.912 3.114) 8.552 2.135 ( 5.108 -5.212 -3.389) 8.046 2.242 ( 3.842 -2.918 -0.521) 4.852 2.307 ( 1.725 -4.567 -2.493) 5.482 2.622 ( -0.392 -1.100 1.307) 1.753 2.689 ( -1.030 -0.142 -2.887) 3.069 2.879 ( -1.125 0.224 1.925) 2.241 2.927 ( -0.711 0.212 2.043) 2.173 3.014 ( -0.171 0.283 -0.132) 0.356 3.075 ( 0.256 -2.195 2.699) 3.489 3.200 ( -0.189 -2.885 -1.531) 3.272 3.272 ( 0.505 -2.678 -2.823) 3.924 3.459 ( -1.114 -4.830 1.015) 5.059 3.520 ( -0.260 -4.378 -1.041) 4.508 3.800 ( -0.053 1.250 1.490) 1.946 3.852 ( -0.519 1.027 -1.345) 1.770 4.165 ( -0.690 2.836 -1.941) 3.505 4.210 ( 1.753 2.451 1.625) 3.423 4.247 ( -0.143 -0.848 0.549) 1.021 4.316 ( 1.228 -0.618 -0.517) 1.468 4.511 ( -2.046 1.370 0.971) 2.647 4.549 ( -0.756 1.547 -1.229) 2.116 4.845 ( -1.516 0.391 0.320) 1.598 4.860 ( -0.079 0.467 0.915) 1.030 4.916 ( 0.071 0.088 -1.221) 1.226 4.962 ( 2.400 -0.030 0.653) 2.487 5.022 ( -0.466 0.019 0.191) 0.504 5.174 ( 4.200 -2.958 0.838) 5.205 5.245 ( 0.933 0.434 2.523) 2.724 5.370 ( 0.649 0.437 -1.320) 1.534 5.759 ( -1.065 0.878 1.373) 1.947 5.821 ( -0.544 1.151 -1.387) 1.882 5.950 ( -0.349 0.116 1.907) 1.942 6.005 ( -1.487 1.714 -1.237) 2.584 6.102 ( -1.060 0.456 -0.742) 1.372 6.115 ( 0.059 -0.646 0.206) 0.681 6.222 ( -0.938 -0.057 -2.211) 2.402 6.245 ( 1.374 0.586 1.738) 2.291 6.429 ( -1.011 0.993 1.212) 1.865 6.494 ( -0.824 2.520 -1.914) 3.269 8.268 ( -0.758 -1.399 1.279) 2.042 8.375 ( 1.585 -3.112 -1.373) 3.753 8.700 ( -2.098 2.589 1.276) 3.568 8.841 ( -0.552 2.804 -0.492) 2.899 9.024 ( -1.283 -0.148 -0.063) 1.293 9.137 ( 1.645 -0.769 -0.471) 1.876 ======================= Grid point 72 (25/78) ======================= q-point: ( 0.38 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( 2.038 -1.244 4.248) 4.873 0.796 ( 2.080 -1.336 -3.197) 4.041 0.870 ( 1.936 -1.202 0.893) 2.447 0.933 ( 2.388 -3.196 1.066) 4.129 0.983 ( 1.077 -0.620 -3.148) 3.384 1.016 ( 0.567 1.186 -0.107) 1.319 1.112 ( -0.026 -1.851 -1.259) 2.239 1.172 ( 0.578 1.588 -0.320) 1.720 1.232 ( -1.090 -0.686 1.372) 1.882 1.245 ( 0.038 -0.287 -0.039) 0.292 1.315 ( 0.934 -0.391 -0.133) 1.021 1.394 ( -0.227 -3.112 1.404) 3.422 1.445 ( 3.179 -0.211 -1.199) 3.404 1.486 ( -1.986 -0.916 -0.475) 2.238 1.531 ( 0.306 -0.282 0.248) 0.485 1.585 ( -0.476 -2.465 -0.776) 2.627 1.638 ( -1.301 -0.169 1.391) 1.912 1.672 ( 0.356 0.790 0.863) 1.223 1.762 ( 1.890 -1.245 -2.437) 3.326 1.861 ( 1.067 -2.346 -0.487) 2.623 2.175 ( 3.308 -2.735 1.921) 4.702 2.264 ( 5.502 -4.720 -1.758) 7.460 2.312 ( 1.539 -2.508 -0.264) 2.954 2.399 ( 2.286 -3.376 -1.262) 4.268 2.612 ( -1.985 -0.364 -2.107) 2.917 2.702 ( 1.197 -0.503 3.611) 3.838 2.864 ( -1.109 -0.107 -1.171) 1.616 2.911 ( -0.859 0.891 0.325) 1.280 3.027 ( 0.721 -0.529 1.650) 1.876 3.086 ( -0.848 1.042 1.142) 1.764 3.217 ( -1.090 -0.746 0.819) 1.554 3.340 ( 2.419 -2.862 0.235) 3.755 3.545 ( -1.130 -5.647 -0.061) 5.760 3.604 ( -0.324 -5.988 -0.755) 6.044 3.771 ( -1.118 0.717 -0.816) 1.559 3.837 ( 0.842 1.431 0.522) 1.740 4.087 ( -0.563 3.889 -2.640) 4.734 4.187 ( 1.862 2.807 1.704) 3.775 4.278 ( 0.156 -1.759 0.777) 1.929 4.347 ( 1.664 -1.546 -0.866) 2.430 4.467 ( -2.373 1.353 0.795) 2.845 4.503 ( -1.074 2.140 -0.849) 2.541 4.822 ( -0.977 0.758 0.003) 1.236 4.849 ( -0.490 0.548 0.366) 0.821 4.920 ( 0.299 -0.430 -0.463) 0.699 4.986 ( 1.177 -0.132 0.819) 1.440 5.025 ( 0.490 -0.263 0.000) 0.556 5.207 ( -0.994 0.284 2.723) 2.912 5.308 ( 4.015 -2.041 -0.680) 4.555 5.369 ( 1.608 -0.080 -1.209) 2.013 5.733 ( -1.297 1.287 1.046) 2.105 5.794 ( -0.360 0.767 -1.205) 1.473 5.950 ( -0.371 0.552 0.932) 1.145 5.958 ( -1.614 0.898 0.206) 1.859 6.074 ( -1.116 0.724 -1.493) 2.000 6.130 ( 0.508 -0.363 0.451) 0.770 6.209 ( -0.611 -0.106 -1.864) 1.964 6.252 ( 0.600 0.413 2.218) 2.334 6.404 ( -1.001 1.071 -0.663) 1.609 6.453 ( -0.061 0.955 -0.495) 1.078 8.282 ( -0.939 -0.775 0.807) 1.461 8.432 ( 1.268 -2.068 -0.032) 2.426 8.654 ( -0.856 1.151 -0.016) 1.434 8.792 ( -0.711 2.064 0.144) 2.188 9.012 ( -0.772 0.128 -0.382) 0.871 9.159 ( 0.828 -0.484 -0.233) 0.987 ======================= Grid point 73 (26/78) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.716 ( -0.163 0.841 2.238) 2.396 0.833 ( 0.752 -1.419 -2.355) 2.851 0.883 ( 0.187 0.826 -1.201) 1.469 0.944 ( -1.332 0.413 0.000) 1.395 0.982 ( -0.788 0.870 -0.322) 1.217 1.021 ( 0.331 -1.289 -0.878) 1.594 1.132 ( -0.946 1.117 -1.092) 1.826 1.167 ( 0.304 -1.201 -0.756) 1.452 1.204 ( 0.123 0.602 0.006) 0.615 1.262 ( 0.677 0.355 2.027) 2.166 1.318 ( 1.147 0.751 -0.463) 1.447 1.410 ( -1.275 0.108 -0.331) 1.321 1.457 ( 0.628 0.186 -1.027) 1.218 1.491 ( -0.536 -1.096 -0.045) 1.221 1.544 ( -0.896 -0.484 0.279) 1.056 1.618 ( -0.189 -0.121 -1.054) 1.078 1.622 ( -0.037 0.075 0.790) 0.795 1.664 ( 0.653 0.306 1.880) 2.014 1.790 ( 1.636 -1.360 -4.137) 4.652 1.887 ( -0.500 0.319 0.406) 0.719 2.185 ( -1.603 2.472 -0.442) 2.979 2.331 ( -1.282 -0.388 0.052) 1.340 2.363 ( -0.177 -0.874 0.453) 1.000 2.447 ( 2.094 -1.964 -1.741) 3.357 2.596 ( -1.697 0.500 0.206) 1.781 2.730 ( 1.031 0.382 4.237) 4.378 2.849 ( -0.645 0.016 0.090) 0.651 2.925 ( 2.050 -1.665 -0.974) 2.815 3.012 ( -1.633 2.652 -0.144) 3.118 3.054 ( -0.095 1.667 -0.094) 1.672 3.232 ( 0.806 -0.453 3.045) 3.183 3.389 ( 0.122 -1.175 0.378) 1.240 3.597 ( 0.753 -0.202 0.041) 0.781 3.672 ( -0.817 -2.494 -0.592) 2.690 3.764 ( 0.018 1.197 -0.015) 1.198 3.816 ( 0.757 0.482 -0.289) 0.943 4.030 ( -0.440 0.489 -2.610) 2.692 4.178 ( 0.450 0.041 1.373) 1.446 4.301 ( -0.084 -0.269 0.683) 0.739 4.374 ( 0.109 0.031 -0.713) 0.721 4.444 ( 0.047 -0.074 -0.188) 0.207 4.468 ( -0.014 0.118 0.045) 0.127 4.809 ( -0.271 -0.189 -0.194) 0.384 4.841 ( -0.222 0.031 0.384) 0.445 4.927 ( 0.229 -0.175 -0.236) 0.372 4.995 ( -0.479 -0.182 0.867) 1.007 5.031 ( 0.490 0.275 -0.132) 0.577 5.199 ( -1.010 0.403 2.448) 2.679 5.336 ( 0.963 0.013 -1.956) 2.180 5.390 ( -0.193 0.140 -0.131) 0.272 5.711 ( -0.290 0.146 0.688) 0.761 5.786 ( 0.166 -0.391 -0.862) 0.961 5.927 ( -1.091 0.133 -0.046) 1.100 5.960 ( 1.297 0.173 1.314) 1.854 6.052 ( -0.477 0.206 -1.484) 1.572 6.139 ( 0.594 -0.007 0.216) 0.632 6.198 ( -0.637 0.020 -1.173) 1.335 6.264 ( 0.391 -0.402 2.036) 2.111 6.380 ( -0.465 0.158 -1.528) 1.605 6.451 ( 0.627 -0.168 0.041) 0.651 8.280 ( -0.565 0.365 0.626) 0.919 8.460 ( 0.063 -0.158 0.617) 0.640 8.651 ( 0.439 -1.144 -0.699) 1.411 8.762 ( -1.065 0.478 0.481) 1.263 9.005 ( 0.686 0.355 -0.496) 0.918 9.167 ( 0.247 0.096 -0.188) 0.325 ======================= Grid point 74 (27/78) ======================= q-point: (-0.38 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( -1.890 3.849 1.983) 4.724 0.766 ( -3.536 6.085 -1.180) 7.136 0.846 ( -2.497 2.571 -0.416) 3.608 0.945 ( -0.863 -2.176 -1.482) 2.770 0.976 ( -1.881 -0.288 0.355) 1.936 1.025 ( -0.815 -0.572 0.644) 1.186 1.096 ( -1.220 0.942 -1.488) 2.142 1.148 ( -0.644 0.521 -0.695) 1.082 1.234 ( 1.094 2.110 1.954) 3.077 1.258 ( 0.523 -1.265 -0.368) 1.418 1.311 ( 0.146 1.172 -0.359) 1.234 1.382 ( -1.863 1.048 -0.520) 2.200 1.445 ( -1.371 1.410 0.233) 1.980 1.483 ( -0.477 1.169 1.764) 2.169 1.542 ( -0.449 0.213 -1.846) 1.912 1.586 ( 1.185 1.405 -0.801) 2.005 1.629 ( -0.356 0.134 0.795) 0.881 1.696 ( 1.764 -1.016 1.867) 2.762 1.799 ( 0.263 1.904 -2.331) 3.022 1.847 ( -2.447 0.527 -0.811) 2.631 2.087 ( -3.822 5.071 0.116) 6.350 2.284 ( -4.227 2.265 -0.239) 4.801 2.311 ( -3.958 3.215 -0.868) 5.172 2.472 ( -0.931 0.665 -0.945) 1.484 2.550 ( -2.057 2.437 0.448) 3.221 2.750 ( 1.650 -0.424 1.366) 2.183 2.857 ( 0.317 0.255 2.254) 2.291 2.933 ( -2.378 1.441 0.411) 2.810 2.974 ( 3.308 1.010 -1.925) 3.959 3.032 ( 2.006 1.702 0.582) 2.694 3.253 ( 0.226 0.174 1.320) 1.350 3.393 ( -1.179 -0.203 0.660) 1.366 3.560 ( 1.367 5.553 0.019) 5.719 3.649 ( 0.286 5.739 -0.509) 5.769 3.720 ( -1.246 -0.141 -0.842) 1.511 3.855 ( 1.314 -2.105 0.316) 2.501 4.050 ( 0.114 -3.802 -2.034) 4.314 4.202 ( -1.013 -2.167 0.970) 2.582 4.290 ( -0.611 0.999 0.978) 1.526 4.349 ( -0.751 1.410 -1.052) 1.913 4.457 ( 1.225 -0.893 0.663) 1.654 4.508 ( 1.977 -2.467 -0.693) 3.236 4.822 ( 0.198 -1.421 -0.102) 1.438 4.844 ( 0.132 -0.143 0.423) 0.466 4.928 ( 0.271 0.142 -0.337) 0.455 4.988 ( -1.563 0.148 0.722) 1.728 5.025 ( -0.204 0.391 -0.053) 0.444 5.194 ( -0.796 0.204 2.716) 2.838 5.319 ( -3.443 1.924 -0.260) 3.953 5.354 ( -0.819 0.494 -1.485) 1.766 5.730 ( 0.779 -1.160 0.899) 1.661 5.801 ( 0.554 -1.360 -1.078) 1.822 5.925 ( -0.180 -0.319 0.581) 0.687 5.988 ( 2.578 -0.697 0.681) 2.756 6.046 ( 0.393 -0.036 -1.107) 1.175 6.145 ( 0.672 0.061 -0.022) 0.675 6.186 ( -0.771 0.099 -0.923) 1.207 6.284 ( -0.035 -0.880 1.505) 1.744 6.381 ( 0.347 -0.936 -0.946) 1.375 6.469 ( 1.226 -1.159 -0.479) 1.754 8.264 ( -0.103 1.378 0.746) 1.571 8.444 ( -0.830 1.576 -0.005) 1.781 8.687 ( 0.838 -2.160 0.069) 2.318 8.765 ( -0.692 -1.918 0.057) 2.040 9.010 ( 1.968 0.447 -0.334) 2.045 9.159 ( -0.354 0.688 -0.243) 0.811 ======================= Grid point 75 (28/78) ======================= q-point: (-0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.549 ( -3.977 8.655 2.707) 9.903 0.596 ( -6.674 8.243 4.332) 11.457 0.780 ( -2.472 1.715 -0.179) 3.014 0.901 ( -2.902 2.412 -2.352) 4.446 0.986 ( -0.944 1.645 2.069) 2.807 1.017 ( -2.317 1.746 -0.976) 3.061 1.049 ( -2.046 1.679 2.592) 3.705 1.134 ( -0.836 0.661 0.730) 1.292 1.193 ( -0.954 1.456 -0.405) 1.787 1.226 ( -2.343 5.519 1.678) 6.227 1.307 ( 1.337 -0.793 -1.117) 1.914 1.355 ( -1.167 0.235 0.139) 1.198 1.396 ( -1.117 1.408 -0.477) 1.859 1.468 ( -0.955 2.214 0.995) 2.608 1.502 ( -0.112 0.911 -0.571) 1.081 1.588 ( -0.371 0.769 -0.090) 0.859 1.640 ( 1.233 -1.003 0.115) 1.593 1.706 ( -1.775 1.412 1.137) 2.537 1.747 ( 0.599 0.326 -0.283) 0.739 1.834 ( -1.936 -0.504 -1.749) 2.657 1.968 ( -2.616 4.576 -1.024) 5.369 2.170 ( -5.415 4.607 -0.331) 7.117 2.211 ( -4.209 3.614 0.013) 5.548 2.417 ( -3.027 1.822 -1.078) 3.694 2.497 ( -0.063 2.198 0.587) 2.276 2.776 ( 1.730 0.303 -2.345) 2.930 2.840 ( -0.861 0.733 1.734) 2.071 2.929 ( 1.437 1.782 -0.677) 2.388 2.944 ( 2.364 2.530 0.286) 3.475 3.047 ( 2.195 0.975 2.779) 3.674 3.230 ( -0.939 1.892 -2.333) 3.147 3.387 ( -1.024 -0.122 0.441) 1.122 3.469 ( 0.093 5.260 0.745) 5.313 3.542 ( 0.085 5.581 -1.511) 5.782 3.726 ( -0.471 -1.133 0.524) 1.334 3.896 ( 0.952 -1.389 -0.460) 1.745 4.126 ( 1.265 -4.465 -1.033) 4.755 4.206 ( -1.048 0.984 0.595) 1.556 4.293 ( -1.788 -2.359 1.222) 3.203 4.317 ( 0.179 1.151 -1.179) 1.657 4.494 ( 1.729 -1.126 0.636) 2.159 4.560 ( 1.339 -1.807 -0.915) 2.428 4.843 ( -0.405 0.049 0.566) 0.698 4.857 ( 0.812 -1.574 0.167) 1.779 4.926 ( 0.433 0.399 -0.381) 0.701 4.970 ( -2.184 -0.185 0.324) 2.216 5.020 ( -0.070 -0.117 -0.001) 0.137 5.183 ( -3.123 1.539 0.880) 3.591 5.233 ( -4.422 0.763 3.216) 5.521 5.354 ( 1.021 -0.221 -1.589) 1.901 5.760 ( 0.275 -1.278 1.366) 1.891 5.829 ( 0.879 -1.441 -1.346) 2.159 5.934 ( 0.412 -0.303 1.069) 1.185 6.015 ( 0.051 -0.110 -0.630) 0.642 6.065 ( 3.179 -0.664 0.240) 3.257 6.149 ( 0.679 0.206 -0.340) 0.787 6.174 ( -0.996 -0.056 -0.972) 1.393 6.296 ( -0.776 -0.407 0.352) 0.944 6.408 ( 0.936 -1.381 0.440) 1.725 6.510 ( 1.579 -2.247 -1.295) 3.036 8.240 ( 0.163 1.882 1.026) 2.150 8.395 ( -0.865 2.865 -1.196) 3.223 8.734 ( 0.332 -2.450 1.966) 3.159 8.812 ( 0.722 -3.584 -1.107) 3.820 9.024 ( 2.153 0.415 -0.022) 2.193 9.135 ( -1.262 1.037 -0.492) 1.706 ======================= Grid point 76 (29/78) ======================= q-point: (-0.12 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.374 ( -3.995 8.787 9.413) 13.482 0.416 ( -6.432 7.339 11.175) 14.836 0.699 ( -6.163 8.491 7.224) 12.738 0.808 ( -2.178 4.279 5.363) 7.199 0.852 ( -1.899 3.694 -1.812) 4.531 0.968 ( -0.772 1.773 0.912) 2.138 1.058 ( -2.815 4.133 -2.674) 5.671 1.092 ( 0.551 -1.267 1.743) 2.224 1.126 ( 0.036 1.072 0.324) 1.120 1.211 ( 0.966 -0.514 -2.471) 2.703 1.293 ( -1.453 1.382 -0.694) 2.122 1.338 ( -1.480 0.005 1.496) 2.105 1.378 ( -0.976 0.417 0.542) 1.192 1.437 ( -0.533 0.353 0.021) 0.640 1.498 ( -0.808 -0.014 0.543) 0.974 1.558 ( -0.489 1.038 -0.393) 1.213 1.660 ( 0.240 -0.360 1.940) 1.988 1.699 ( -0.500 -0.412 -1.195) 1.359 1.747 ( -0.024 -0.738 -1.348) 1.537 1.816 ( -0.656 0.151 -0.748) 1.007 1.877 ( -1.402 3.479 -1.159) 3.926 2.053 ( -3.853 3.242 -0.766) 5.094 2.124 ( -1.949 2.483 0.561) 3.207 2.354 ( -2.723 1.151 -5.024) 5.829 2.509 ( 2.922 -0.937 5.871) 6.625 2.757 ( 0.982 0.713 -6.195) 6.313 2.838 ( 0.093 0.974 0.564) 1.129 2.870 ( 2.472 4.108 1.251) 4.955 2.969 ( 1.507 0.210 4.052) 4.328 3.044 ( 0.392 1.512 0.871) 1.789 3.171 ( -0.117 1.990 -5.757) 6.092 3.371 ( -1.905 0.234 -2.543) 3.186 3.415 ( -0.904 1.412 2.846) 3.303 3.468 ( 0.173 2.849 -0.821) 2.970 3.747 ( 0.785 -0.603 1.844) 2.093 3.916 ( -0.003 -0.811 -1.375) 1.596 4.174 ( -0.641 0.790 0.915) 1.368 4.203 ( 1.803 -2.043 -0.408) 2.755 4.287 ( 0.018 0.694 -1.205) 1.390 4.341 ( -2.272 -3.588 0.274) 4.256 4.525 ( 1.736 -0.108 0.403) 1.785 4.583 ( -0.246 -0.733 -0.920) 1.202 4.837 ( 0.068 0.584 1.016) 1.174 4.887 ( -0.094 -1.209 -0.003) 1.213 4.924 ( 1.061 0.651 -0.226) 1.265 4.957 ( -2.877 -1.153 -0.650) 3.167 5.026 ( -0.084 -0.425 0.032) 0.435 5.089 ( -4.732 2.473 -0.700) 5.384 5.260 ( -0.952 -3.606 5.616) 6.742 5.363 ( 1.007 -0.180 -0.999) 1.429 5.790 ( -0.840 -2.021 1.668) 2.752 5.852 ( 0.826 -0.667 -1.554) 1.882 5.942 ( 0.071 0.694 0.808) 1.068 6.013 ( 1.737 -0.000 0.508) 1.809 6.107 ( 1.316 -0.865 -0.156) 1.583 6.145 ( 0.215 0.706 -0.975) 1.223 6.165 ( -0.195 -0.016 -0.117) 0.228 6.285 ( -1.169 0.427 -0.921) 1.548 6.440 ( 0.611 -0.800 1.459) 1.773 6.555 ( 1.222 -1.792 -1.828) 2.836 8.217 ( 0.423 1.530 1.428) 2.136 8.329 ( -0.373 3.465 -2.060) 4.048 8.797 ( -0.058 -3.897 3.332) 5.128 8.876 ( 1.763 -2.826 -1.747) 3.762 9.036 ( 1.521 0.486 0.303) 1.625 9.093 ( -2.397 1.527 -1.086) 3.043 ======================= Grid point 78 (30/78) ======================= q-point: ( 0.12 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.461 ( 5.350 -0.000 10.052) 11.387 0.565 ( 11.325 -0.000 8.829) 14.360 0.787 ( 3.438 -0.000 -4.208) 5.434 0.804 ( 4.155 -0.000 3.111) 5.191 0.875 ( 5.523 -0.000 4.658) 7.225 0.982 ( 1.354 -0.000 0.162) 1.364 1.008 ( 3.862 -0.000 1.828) 4.273 1.115 ( -0.797 0.000 -2.254) 2.391 1.204 ( -1.005 0.000 -2.995) 3.159 1.221 ( 4.211 -0.000 0.200) 4.216 1.268 ( -1.881 0.000 1.104) 2.181 1.303 ( 1.957 -0.000 1.220) 2.306 1.397 ( 1.806 -0.000 3.712) 4.128 1.460 ( 2.805 -0.000 -1.350) 3.113 1.534 ( -0.078 0.000 -0.113) 0.137 1.538 ( 4.104 -0.000 1.873) 4.511 1.658 ( -1.632 0.000 -1.733) 2.380 1.665 ( -2.294 0.000 2.471) 3.371 1.755 ( -1.373 0.000 1.429) 1.982 1.783 ( 2.749 -0.000 -4.969) 5.679 1.943 ( 6.675 -0.000 3.520) 7.546 2.037 ( 6.418 -0.000 -2.680) 6.955 2.186 ( 5.449 -0.000 2.101) 5.840 2.206 ( 0.596 -0.000 -8.704) 8.724 2.594 ( -0.994 0.000 1.105) 1.486 2.675 ( -1.112 0.000 -5.716) 5.823 2.873 ( -1.643 0.000 3.053) 3.467 2.942 ( 0.642 -0.000 4.045) 4.096 2.969 ( -0.991 0.000 -1.735) 1.998 3.049 ( 0.362 -0.000 3.140) 3.161 3.149 ( 5.163 -0.000 -0.562) 5.194 3.202 ( -3.836 0.000 -7.365) 8.304 3.400 ( -1.784 0.000 2.573) 3.131 3.453 ( -0.351 0.000 0.928) 0.992 3.833 ( 1.866 -0.000 2.988) 3.523 3.867 ( -2.213 0.000 -3.241) 3.924 4.168 ( 0.192 -0.000 1.007) 1.025 4.235 ( 0.896 -0.000 -1.646) 1.875 4.261 ( -2.162 0.000 -1.159) 2.453 4.340 ( 1.917 -0.000 2.531) 3.175 4.534 ( -1.966 0.000 1.458) 2.448 4.571 ( 0.189 -0.000 -2.561) 2.568 4.845 ( -1.318 0.000 -0.199) 1.333 4.865 ( 0.523 -0.000 1.571) 1.656 4.922 ( -1.134 0.000 -1.716) 2.057 4.974 ( 2.545 -0.000 1.545) 2.977 5.068 ( 4.016 -0.000 -0.152) 4.019 5.069 ( 3.347 -0.000 0.378) 3.368 5.277 ( -2.010 0.000 3.036) 3.641 5.375 ( 0.249 -0.000 -0.552) 0.606 5.774 ( -1.246 0.000 1.505) 1.954 5.839 ( -0.679 0.000 -0.855) 1.091 5.946 ( -0.454 0.000 2.410) 2.453 6.044 ( -0.862 0.000 -3.055) 3.174 6.099 ( -1.477 0.000 0.004) 1.477 6.110 ( -0.177 0.000 0.245) 0.302 6.222 ( -0.786 0.000 -2.545) 2.663 6.259 ( 2.215 -0.000 0.555) 2.283 6.447 ( -2.002 0.000 2.570) 3.257 6.551 ( -1.048 0.000 -2.558) 2.765 8.266 ( 0.148 -0.000 -1.567) 1.574 8.269 ( 1.382 -0.000 0.704) 1.551 8.766 ( -3.720 0.000 2.467) 4.463 8.872 ( -4.656 0.000 -0.829) 4.729 9.051 ( 3.070 -0.000 0.558) 3.120 9.115 ( 1.806 -0.000 -1.794) 2.546 ======================= Grid point 79 (31/78) ======================= q-point: ( 0.25 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.610 ( 5.194 -5.541 6.833) 10.216 0.729 ( 7.070 -4.013 4.458) 9.272 0.788 ( 3.731 0.895 -0.044) 3.837 0.878 ( 4.648 -2.067 -4.587) 6.850 0.987 ( 3.755 -3.359 3.228) 5.983 0.991 ( 1.609 0.518 -1.149) 2.044 1.069 ( 2.401 -1.151 -0.188) 2.669 1.105 ( -0.864 -1.842 -0.143) 2.040 1.185 ( -0.619 -1.060 -2.349) 2.650 1.234 ( 1.997 0.228 0.678) 2.121 1.296 ( 3.361 -0.047 0.659) 3.425 1.324 ( 1.278 -0.180 1.671) 2.112 1.426 ( 1.883 0.616 3.225) 3.784 1.483 ( 1.947 -0.588 -0.843) 2.202 1.536 ( 0.598 -0.041 0.272) 0.658 1.583 ( 2.249 1.004 -0.260) 2.477 1.628 ( -1.685 0.079 -0.061) 1.688 1.659 ( 0.096 -0.330 2.564) 2.587 1.754 ( 0.144 -0.164 1.970) 1.982 1.804 ( 3.398 -0.495 -3.776) 5.104 2.054 ( 7.165 -2.834 3.890) 8.631 2.117 ( 6.885 -2.578 -4.183) 8.459 2.225 ( 4.440 -2.392 -5.381) 7.375 2.279 ( 6.396 -2.723 1.434) 7.098 2.595 ( -0.966 -0.858 -0.737) 1.487 2.655 ( -0.922 -1.291 -3.816) 4.133 2.855 ( -2.891 -0.303 -0.889) 3.040 2.936 ( -0.393 0.698 2.064) 2.214 3.005 ( 0.559 -2.080 1.305) 2.518 3.067 ( 0.018 -0.932 1.802) 2.029 3.138 ( -2.179 -1.235 -5.099) 5.681 3.244 ( 4.874 -2.551 2.722) 6.138 3.400 ( -1.894 -1.398 1.961) 3.064 3.464 ( -0.764 -1.781 0.382) 1.975 3.815 ( -1.945 1.467 -1.916) 3.099 3.862 ( 0.968 0.068 1.237) 1.572 4.177 ( -0.044 0.056 -0.890) 0.893 4.233 ( -0.549 0.593 -0.007) 0.808 4.246 ( 1.046 -0.557 -1.355) 1.800 4.349 ( 1.187 1.654 2.268) 3.047 4.510 ( -2.533 0.775 1.284) 2.943 4.555 ( -0.508 0.754 -2.179) 2.361 4.835 ( -0.977 0.008 -0.079) 0.980 4.871 ( -0.189 0.200 0.935) 0.974 4.904 ( -1.122 -0.089 -1.162) 1.618 4.991 ( 1.300 0.689 1.194) 1.895 5.066 ( 4.345 2.301 0.210) 4.921 5.170 ( 4.370 -2.926 0.982) 5.350 5.267 ( 0.229 0.281 2.064) 2.096 5.374 ( 0.184 0.080 -0.928) 0.949 5.764 ( -1.226 0.411 1.390) 1.899 5.822 ( -1.222 0.541 -1.118) 1.743 5.951 ( -0.634 -0.232 2.084) 2.190 6.009 ( -2.079 1.448 -1.518) 2.953 6.085 ( -1.275 -0.288 -1.284) 1.832 6.113 ( 0.252 -0.241 0.594) 0.689 6.207 ( -0.115 0.079 -2.463) 2.467 6.271 ( 0.800 0.459 1.098) 1.434 6.430 ( -2.338 0.389 2.068) 3.145 6.513 ( -1.293 1.812 -2.208) 3.135 8.253 ( 0.152 -0.044 -0.008) 0.158 8.325 ( 0.821 -3.563 -0.554) 3.698 8.723 ( -2.397 2.040 1.513) 3.493 8.824 ( -5.198 -0.397 -0.432) 5.231 9.057 ( 2.708 2.433 0.064) 3.641 9.135 ( 1.126 -0.937 -0.777) 1.658 ======================= Grid point 80 (32/78) ======================= q-point: ( 0.38 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( 4.233 -1.128 4.606) 6.357 0.793 ( 2.795 -0.656 -4.083) 4.992 0.868 ( 1.878 -2.351 3.385) 4.529 0.922 ( 2.745 -0.621 -0.871) 2.946 0.995 ( 2.940 1.292 -3.017) 4.407 1.038 ( 1.887 -0.383 -0.208) 1.936 1.085 ( -1.036 -0.643 -0.605) 1.361 1.140 ( -0.388 -3.202 -1.780) 3.684 1.229 ( 0.828 -1.580 0.068) 1.785 1.261 ( 3.363 -0.508 1.208) 3.609 1.328 ( 2.998 0.424 -0.384) 3.052 1.360 ( -0.202 -2.204 3.141) 3.842 1.439 ( 0.986 -0.081 0.765) 1.251 1.502 ( 1.494 0.282 -1.184) 1.928 1.537 ( -0.839 0.769 0.712) 1.343 1.555 ( 0.235 0.353 -0.984) 1.072 1.638 ( 0.891 -0.365 1.039) 1.416 1.690 ( 1.680 -0.438 2.068) 2.700 1.767 ( 2.088 0.372 -0.724) 2.241 1.843 ( 3.432 -1.202 -0.730) 3.709 2.173 ( 4.030 -2.543 0.802) 4.832 2.231 ( 5.384 -4.551 -0.675) 7.082 2.303 ( 4.565 -2.161 -2.155) 5.491 2.381 ( 4.500 -1.858 -0.650) 4.911 2.593 ( 0.703 -0.218 -2.035) 2.163 2.686 ( 0.269 -3.025 0.673) 3.111 2.837 ( -1.138 -0.856 -1.714) 2.229 2.911 ( -2.369 1.087 0.151) 2.611 3.024 ( -0.361 -0.550 -0.002) 0.657 3.088 ( -0.899 -0.663 1.134) 1.592 3.172 ( 0.018 -4.195 -0.294) 4.205 3.333 ( 2.674 -1.365 3.466) 4.585 3.443 ( -0.314 -4.976 0.556) 5.017 3.509 ( -0.293 -4.615 0.244) 4.630 3.768 ( -1.338 1.061 -1.584) 2.329 3.866 ( 0.786 0.898 0.730) 1.400 4.134 ( -0.528 3.144 -2.919) 4.323 4.240 ( 0.117 0.423 1.215) 1.292 4.260 ( 0.967 -0.616 0.349) 1.198 4.345 ( 1.009 0.028 0.481) 1.118 4.469 ( -2.439 1.472 0.848) 2.972 4.522 ( -0.568 1.630 -1.215) 2.111 4.820 ( -1.232 0.341 0.134) 1.285 4.861 ( -0.158 0.756 0.043) 0.774 4.902 ( -0.657 -0.895 -0.305) 1.151 4.987 ( -0.139 0.693 0.705) 0.998 5.080 ( 4.868 1.861 0.235) 5.217 5.212 ( -0.545 0.238 2.588) 2.655 5.310 ( 3.048 -1.627 -0.707) 3.527 5.376 ( 1.101 -0.305 -0.829) 1.411 5.744 ( -1.441 1.008 1.142) 2.097 5.794 ( -1.100 0.630 -1.201) 1.746 5.946 ( -2.891 0.862 0.722) 3.102 5.965 ( 0.092 0.348 0.626) 0.722 6.070 ( -0.652 0.334 -1.882) 2.019 6.126 ( 0.291 -0.588 0.331) 0.735 6.200 ( 0.297 0.053 -1.833) 1.858 6.272 ( 0.036 0.514 1.804) 1.876 6.405 ( -1.990 0.665 0.663) 2.201 6.464 ( -0.810 1.525 -1.323) 2.175 8.265 ( 0.166 -0.881 0.258) 0.933 8.392 ( 0.293 -3.580 -0.045) 3.592 8.672 ( -1.383 2.000 0.397) 2.464 8.779 ( -4.580 -0.164 0.217) 4.588 9.042 ( 2.490 2.149 -0.407) 3.314 9.154 ( 0.499 -0.595 -0.305) 0.835 ======================= Grid point 81 (33/78) ======================= q-point: ( 0.50 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.770 ( 2.935 2.161 1.826) 4.077 0.822 ( 2.273 -0.830 -2.625) 3.570 0.892 ( 0.370 0.334 -1.287) 1.380 0.937 ( -0.351 0.745 -0.443) 0.935 0.992 ( -0.700 -0.587 -0.104) 0.920 1.025 ( 0.933 2.337 0.582) 2.583 1.126 ( 0.143 -1.646 -0.546) 1.740 1.152 ( 1.069 -0.178 -2.138) 2.397 1.237 ( 1.303 1.321 1.196) 2.207 1.300 ( 1.682 0.963 3.106) 3.661 1.344 ( 1.955 -0.117 -2.092) 2.865 1.389 ( -1.011 -0.850 2.257) 2.615 1.442 ( -0.610 0.377 -1.483) 1.647 1.511 ( 2.982 0.251 -1.727) 3.455 1.526 ( -0.498 -0.405 -0.179) 0.666 1.585 ( 1.069 -2.632 0.708) 2.928 1.646 ( 0.616 0.639 0.434) 0.988 1.706 ( 2.159 1.730 1.962) 3.392 1.778 ( 1.987 -0.117 -3.018) 3.615 1.892 ( 2.306 -0.401 0.255) 2.355 2.207 ( 0.169 1.245 -0.565) 1.378 2.313 ( -0.239 -0.892 0.330) 0.981 2.353 ( 0.722 -1.008 0.834) 1.494 2.445 ( 4.827 -1.523 -2.337) 5.575 2.597 ( 0.128 0.569 0.559) 0.808 2.740 ( 0.271 -1.631 2.801) 3.253 2.831 ( -1.319 -0.302 -1.135) 1.766 2.902 ( 0.436 -2.066 -0.829) 2.268 3.020 ( -1.322 0.229 -0.852) 1.589 3.074 ( -0.831 0.865 0.533) 1.313 3.236 ( 1.217 -1.966 1.713) 2.878 3.366 ( -1.171 -0.905 1.665) 2.227 3.546 ( 1.127 -6.202 -0.534) 6.326 3.609 ( 1.270 -5.139 1.126) 5.412 3.748 ( -0.402 -0.390 -0.836) 1.006 3.852 ( 0.354 1.668 -0.225) 1.720 4.061 ( -0.028 3.728 -2.392) 4.429 4.208 ( -0.853 2.621 1.059) 2.952 4.291 ( 0.582 -1.312 0.637) 1.570 4.361 ( -0.612 -0.721 -0.640) 1.142 4.440 ( 0.281 -0.076 0.311) 0.425 4.486 ( -0.151 1.747 -0.335) 1.786 4.807 ( -0.481 0.135 0.114) 0.513 4.849 ( 0.179 0.618 0.164) 0.664 4.911 ( -0.689 -0.975 -0.035) 1.194 4.974 ( -1.471 0.140 0.413) 1.534 5.093 ( 4.412 2.334 0.043) 4.992 5.205 ( -1.016 0.487 2.362) 2.617 5.335 ( 0.748 -0.241 -1.978) 2.128 5.388 ( -0.775 0.348 -0.038) 0.851 5.716 ( -0.830 0.675 0.604) 1.228 5.779 ( -0.301 -0.029 -0.636) 0.705 5.911 ( -1.958 -0.062 0.291) 1.980 5.979 ( 1.470 -0.203 0.860) 1.715 6.052 ( -0.005 0.472 -1.354) 1.434 6.137 ( 0.105 -0.488 -0.194) 0.535 6.195 ( 0.242 0.290 -0.914) 0.989 6.272 ( -0.012 0.157 1.892) 1.899 6.376 ( -1.007 0.691 -0.937) 1.539 6.445 ( -0.442 -0.237 -0.323) 0.596 8.282 ( 0.539 -0.403 0.576) 0.887 8.439 ( -0.816 -2.103 0.365) 2.285 8.642 ( -0.293 0.314 -0.261) 0.502 8.741 ( -3.659 -0.131 0.594) 3.709 9.038 ( 2.970 1.289 -0.652) 3.302 9.163 ( -0.237 -0.371 -0.304) 0.535 ======================= Grid point 82 (34/78) ======================= q-point: (-0.38 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( 2.301 3.418 1.580) 4.413 0.813 ( -0.762 3.630 -2.091) 4.257 0.868 ( -0.419 1.084 -1.862) 2.195 0.927 ( 0.280 0.244 -0.005) 0.371 0.965 ( -1.511 1.603 0.064) 2.203 1.016 ( -0.279 -0.015 2.214) 2.231 1.110 ( 0.037 1.277 -0.483) 1.365 1.151 ( -0.457 0.624 -1.410) 1.608 1.259 ( 3.154 -0.201 0.385) 3.184 1.289 ( -0.269 1.623 1.644) 2.326 1.345 ( 2.000 1.565 -1.471) 2.935 1.382 ( -1.592 1.172 0.342) 2.006 1.429 ( -0.662 -0.223 0.961) 1.188 1.512 ( -0.088 -0.280 -2.112) 2.133 1.538 ( 1.926 0.959 -0.231) 2.164 1.625 ( 0.949 0.388 -1.862) 2.126 1.646 ( 1.674 0.715 2.064) 2.752 1.709 ( 2.143 0.511 1.731) 2.801 1.791 ( 1.238 -0.886 -3.347) 3.677 1.877 ( -0.719 3.615 0.153) 3.689 2.140 ( -2.276 4.813 0.592) 5.357 2.291 ( -2.073 1.830 1.297) 3.054 2.330 ( -2.408 2.768 -0.082) 3.670 2.477 ( 0.886 0.948 -2.492) 2.809 2.575 ( -0.946 1.794 1.460) 2.499 2.764 ( 0.821 -0.294 2.132) 2.303 2.843 ( -0.809 -2.017 0.820) 2.323 2.921 ( -2.291 -0.113 -0.292) 2.312 3.007 ( 2.194 0.095 -1.235) 2.519 3.068 ( 0.796 0.339 0.956) 1.289 3.267 ( 0.798 0.127 0.771) 1.117 3.364 ( -2.194 -0.939 -0.238) 2.398 3.633 ( 1.865 -0.765 -0.247) 2.031 3.666 ( 0.547 -0.237 0.540) 0.804 3.764 ( 0.046 0.614 -0.492) 0.788 3.822 ( 0.164 -0.322 -0.810) 0.887 4.014 ( 0.557 0.550 -0.974) 1.249 4.167 ( -2.052 0.205 0.497) 2.121 4.305 ( 0.017 0.582 0.515) 0.778 4.351 ( -0.945 0.151 -0.844) 1.276 4.462 ( 0.958 -0.021 0.271) 0.996 4.484 ( 1.357 -1.991 -0.295) 2.427 4.810 ( 0.510 -0.521 0.078) 0.733 4.849 ( 0.548 -0.031 0.631) 0.836 4.917 ( -0.938 -0.661 -0.014) 1.148 4.957 ( -2.289 -0.276 0.069) 2.307 5.088 ( 4.010 3.111 -0.155) 5.078 5.198 ( -0.927 0.168 2.521) 2.691 5.317 ( -4.215 2.470 -0.110) 4.887 5.348 ( -0.334 0.192 -1.851) 1.890 5.721 ( 0.317 -0.929 0.757) 1.240 5.783 ( 0.258 -0.826 -0.712) 1.120 5.911 ( -0.586 -0.939 0.606) 1.261 6.003 ( 1.665 -0.390 0.049) 1.711 6.051 ( 1.128 -0.183 -0.531) 1.260 6.143 ( -0.117 -0.412 -0.444) 0.617 6.187 ( 0.118 0.596 -0.237) 0.652 6.278 ( -0.406 -0.232 1.315) 1.396 6.367 ( 0.302 -0.606 -0.917) 1.139 6.453 ( -0.148 -1.157 -0.508) 1.272 8.290 ( 0.836 0.707 1.139) 1.580 8.445 ( -1.601 -0.062 -0.138) 1.608 8.655 ( 0.115 -1.858 0.039) 1.862 8.723 ( -2.111 -1.149 0.350) 2.429 9.050 ( 3.317 0.870 -0.543) 3.472 9.158 ( -0.934 0.104 -0.441) 1.038 ======================= Grid point 83 (35/78) ======================= q-point: (-0.25 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( -3.674 7.944 1.261) 8.843 0.708 ( 2.882 6.507 1.869) 7.358 0.811 ( -1.037 4.183 -0.223) 4.315 0.888 ( -1.363 0.912 -2.851) 3.289 0.979 ( 0.453 -1.498 1.422) 2.115 1.019 ( -0.552 0.666 0.590) 1.047 1.095 ( 0.783 1.364 1.367) 2.083 1.145 ( 1.157 -0.151 -0.603) 1.313 1.224 ( -2.244 3.464 1.034) 4.255 1.282 ( -0.396 2.219 0.672) 2.352 1.328 ( 0.335 1.538 1.127) 1.936 1.357 ( 1.659 0.620 -0.717) 1.910 1.422 ( -0.885 0.942 0.060) 1.294 1.495 ( 0.482 2.858 -1.030) 3.076 1.523 ( 0.195 1.287 -0.673) 1.466 1.615 ( 1.083 1.368 -0.722) 1.888 1.649 ( 1.717 1.244 0.553) 2.191 1.721 ( -0.724 0.818 0.992) 1.476 1.764 ( -3.647 2.844 0.398) 4.642 1.816 ( 1.876 0.435 -2.638) 3.266 2.032 ( -1.157 5.628 0.383) 5.758 2.213 ( -2.644 4.756 -0.290) 5.449 2.249 ( -1.626 4.126 1.419) 4.656 2.426 ( -1.841 2.803 -2.059) 3.935 2.541 ( 0.805 1.964 1.426) 2.557 2.786 ( 0.401 -0.000 -0.022) 0.401 2.843 ( -1.378 0.461 0.997) 1.762 2.922 ( -0.283 -1.779 1.460) 2.319 3.014 ( 1.826 1.565 -1.770) 2.985 3.082 ( 1.128 0.103 2.049) 2.341 3.251 ( -0.201 2.088 -0.692) 2.209 3.358 ( -1.944 -1.020 -1.745) 2.805 3.576 ( 0.183 6.730 -0.090) 6.733 3.637 ( -0.083 5.449 -2.247) 5.894 3.727 ( 1.105 0.647 2.188) 2.535 3.865 ( -0.079 -2.613 -1.176) 2.867 4.059 ( 1.584 -4.258 0.421) 4.562 4.171 ( -2.055 -2.667 -0.258) 3.377 4.281 ( -0.745 1.605 0.750) 1.922 4.333 ( 0.037 0.979 -1.350) 1.668 4.487 ( 1.069 -1.501 0.712) 1.975 4.533 ( 0.680 -2.267 -0.608) 2.443 4.833 ( 0.880 -0.994 0.403) 1.388 4.859 ( 0.472 -0.076 1.021) 1.127 4.916 ( -1.573 -0.772 -0.148) 1.758 4.942 ( -1.304 -0.243 -0.569) 1.443 5.075 ( 4.257 3.126 -0.164) 5.284 5.180 ( -4.305 2.231 0.521) 4.877 5.222 ( -3.186 1.052 2.988) 4.493 5.352 ( 0.997 -0.450 -1.933) 2.221 5.745 ( -0.009 -1.209 1.079) 1.620 5.805 ( 0.571 -1.585 -0.994) 1.957 5.927 ( -0.019 -0.908 0.974) 1.332 6.016 ( 0.362 -0.157 -0.553) 0.680 6.077 ( 1.872 -0.893 -0.013) 2.074 6.148 ( -0.203 -0.502 -0.730) 0.909 6.178 ( 0.505 0.776 0.508) 1.055 6.278 ( -1.205 -0.427 0.021) 1.278 6.392 ( 0.913 -1.496 0.250) 1.771 6.478 ( 0.217 -2.097 -1.229) 2.440 8.282 ( 0.719 1.749 1.826) 2.629 8.415 ( -1.189 1.424 -1.322) 2.278 8.693 ( -1.120 -2.565 1.702) 3.276 8.750 ( 0.469 -3.321 -0.993) 3.498 9.066 ( 2.841 0.935 -0.119) 2.993 9.136 ( -1.491 0.848 -0.695) 1.851 ======================= Grid point 84 (36/78) ======================= q-point: (-0.12 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.528 ( -2.164 7.571 7.821) 11.098 0.600 ( 3.892 11.114 4.915) 12.760 0.750 ( -0.001 2.171 -1.266) 2.513 0.852 ( -0.255 1.289 -2.860) 3.147 0.972 ( -1.101 3.317 0.703) 3.565 1.023 ( 1.214 0.758 1.946) 2.416 1.048 ( 0.639 5.952 5.123) 7.879 1.119 ( -1.697 3.317 0.302) 3.738 1.184 ( 0.028 0.322 2.064) 2.089 1.219 ( 0.045 3.399 1.413) 3.681 1.309 ( -0.232 0.990 -1.651) 1.938 1.355 ( 0.105 1.597 -0.215) 1.615 1.381 ( 0.309 2.176 -1.465) 2.641 1.444 ( -0.062 1.462 -0.719) 1.630 1.503 ( 0.533 1.175 0.465) 1.371 1.576 ( -0.470 1.810 -1.152) 2.196 1.657 ( -0.614 -0.649 1.722) 1.940 1.688 ( -1.099 0.562 -0.048) 1.235 1.742 ( 0.579 -0.118 -0.667) 0.891 1.815 ( 0.684 0.453 -2.279) 2.422 1.944 ( 1.301 5.018 0.353) 5.196 2.104 ( -0.209 5.503 -2.207) 5.933 2.178 ( 0.498 3.943 2.242) 4.563 2.346 ( -1.819 2.935 -4.470) 5.648 2.554 ( 2.937 0.366 5.138) 5.929 2.754 ( -1.285 1.073 -4.385) 4.693 2.851 ( 0.496 -0.106 2.693) 2.740 2.937 ( -0.735 0.615 1.485) 1.767 3.004 ( 2.154 0.822 1.047) 2.532 3.071 ( -0.942 2.330 0.403) 2.545 3.201 ( 0.313 2.935 -2.276) 3.727 3.336 ( -2.502 0.067 -4.045) 4.757 3.466 ( -0.585 5.095 1.042) 5.233 3.532 ( 0.166 5.003 -1.860) 5.340 3.757 ( 1.522 -0.748 3.149) 3.576 3.887 ( -0.747 -1.428 -1.960) 2.538 4.158 ( 1.899 -4.087 0.951) 4.606 4.190 ( -0.781 -0.950 -0.161) 1.240 4.261 ( -1.619 -0.772 0.572) 1.883 4.312 ( 0.252 0.997 -1.671) 1.962 4.525 ( 0.388 -1.421 0.788) 1.670 4.562 ( -0.167 -1.263 -0.732) 1.469 4.848 ( 0.099 -0.003 1.299) 1.303 4.872 ( -0.308 -0.524 0.881) 1.070 4.914 ( -0.922 -0.900 -0.517) 1.388 4.938 ( 0.481 -0.155 -1.171) 1.276 5.065 ( 1.389 2.908 0.137) 3.225 5.084 ( -1.673 2.109 -0.324) 2.711 5.228 ( -1.155 -1.195 4.601) 4.892 5.364 ( 0.962 -0.440 -1.391) 1.748 5.766 ( -0.600 -1.027 1.406) 1.841 5.833 ( 0.353 -1.473 -1.300) 1.996 5.944 ( -0.200 -0.461 1.298) 1.392 6.021 ( 0.523 -0.619 -0.543) 0.975 6.099 ( 0.202 -0.371 -0.025) 0.423 6.142 ( -0.869 0.085 -1.296) 1.562 6.188 ( 2.317 0.126 1.609) 2.823 6.267 ( -1.605 -0.180 -1.330) 2.092 6.427 ( 0.276 -1.508 1.187) 1.939 6.516 ( 0.154 -2.711 -1.853) 3.287 8.261 ( 0.320 2.106 2.192) 3.056 8.369 ( 0.068 2.582 -2.422) 3.541 8.732 ( -2.217 -3.197 2.549) 4.651 8.824 ( 1.779 -4.179 -1.289) 4.721 9.067 ( -0.485 1.075 0.282) 1.213 9.103 ( 0.610 1.401 -0.969) 1.809 ======================= Grid point 87 (37/78) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( 4.425 -0.000 3.943) 5.927 0.763 ( 4.461 -0.000 0.206) 4.466 0.833 ( 2.988 -0.000 -2.383) 3.822 0.880 ( 5.025 -0.000 1.643) 5.287 0.990 ( -0.668 0.000 -0.765) 1.016 1.015 ( 3.705 -0.000 0.919) 3.818 1.066 ( -1.514 0.000 -0.919) 1.771 1.141 ( 6.327 -0.000 1.634) 6.535 1.154 ( 0.216 -0.000 -3.614) 3.620 1.276 ( 1.912 -0.000 0.264) 1.930 1.290 ( 1.206 -0.000 3.488) 3.691 1.369 ( 2.638 -0.000 0.228) 2.648 1.470 ( 1.425 -0.000 3.118) 3.428 1.481 ( 1.139 -0.000 -2.202) 2.479 1.553 ( 1.406 -0.000 1.007) 1.730 1.600 ( -1.662 0.000 -0.430) 1.717 1.606 ( -0.496 0.000 0.471) 0.684 1.674 ( 0.878 -0.000 3.315) 3.429 1.775 ( 2.172 -0.000 3.458) 4.083 1.845 ( 7.554 -0.000 -3.416) 8.290 2.122 ( 7.364 -0.000 4.699) 8.736 2.133 ( 5.296 -0.000 -6.216) 8.166 2.262 ( 8.980 -0.000 -2.977) 9.460 2.333 ( 7.791 -0.000 1.255) 7.892 2.578 ( -0.434 0.000 -0.288) 0.521 2.618 ( 0.043 -0.000 -4.921) 4.922 2.825 ( -1.184 0.000 -2.619) 2.874 2.944 ( -1.751 0.000 0.647) 1.867 2.993 ( 0.670 -0.000 2.695) 2.777 3.051 ( -0.427 0.000 -1.402) 1.466 3.079 ( -2.742 0.000 -5.385) 6.043 3.301 ( 5.325 -0.000 6.051) 8.060 3.378 ( -1.799 0.000 2.595) 3.157 3.441 ( -1.572 0.000 0.988) 1.857 3.797 ( -1.959 0.000 -2.410) 3.106 3.880 ( 1.220 -0.000 1.321) 1.798 4.173 ( -0.176 0.000 -1.342) 1.354 4.232 ( -0.258 0.000 0.111) 0.281 4.246 ( 1.421 -0.000 -1.623) 2.157 4.374 ( -1.113 0.000 2.448) 2.689 4.500 ( -1.732 0.000 1.558) 2.330 4.550 ( -0.127 0.000 -2.428) 2.431 4.825 ( -0.977 0.000 -0.265) 1.012 4.869 ( -1.042 0.000 0.856) 1.349 4.889 ( -0.719 0.000 -0.728) 1.023 5.012 ( 0.867 -0.000 0.886) 1.240 5.142 ( 3.216 -0.000 0.534) 3.260 5.194 ( 6.856 -0.000 0.630) 6.885 5.273 ( -0.211 0.000 1.711) 1.724 5.372 ( 0.200 -0.000 -0.906) 0.927 5.759 ( -1.330 0.000 1.309) 1.866 5.806 ( -2.093 0.000 -1.016) 2.327 5.948 ( -0.848 0.000 1.997) 2.169 5.997 ( -2.058 0.000 -1.794) 2.730 6.063 ( -1.864 0.000 -0.018) 1.864 6.115 ( 0.734 -0.000 -0.594) 0.944 6.205 ( 0.681 -0.000 -1.691) 1.823 6.280 ( -0.129 0.000 0.355) 0.378 6.415 ( -2.994 0.000 2.525) 3.917 6.508 ( -1.278 0.000 -2.159) 2.509 8.264 ( 0.870 -0.000 -1.675) 1.888 8.289 ( 0.043 -0.000 1.089) 1.090 8.726 ( -2.028 0.000 1.606) 2.587 8.758 ( -5.752 0.000 -0.266) 5.759 9.121 ( 0.638 0.000 -1.174) 1.336 9.121 ( 2.728 0.000 0.198) 2.736 ======================= Grid point 88 (38/78) ======================= q-point: ( 0.38 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( 1.845 -4.599 0.618) 4.994 0.814 ( 3.423 -1.336 -0.751) 3.750 0.867 ( 1.540 -0.872 2.144) 2.780 0.943 ( 3.130 -0.783 -1.526) 3.569 1.007 ( -0.105 -2.479 0.321) 2.502 1.039 ( 2.265 0.368 -2.191) 3.173 1.074 ( -0.857 -2.431 1.601) 3.034 1.120 ( 3.619 2.263 -2.300) 4.848 1.203 ( 1.006 -1.203 -0.119) 1.572 1.298 ( 2.734 0.056 1.764) 3.254 1.334 ( 0.331 -1.711 2.704) 3.218 1.377 ( 2.518 1.561 -0.043) 2.963 1.464 ( 0.564 0.938 0.146) 1.104 1.495 ( -0.396 -0.560 -1.334) 1.500 1.543 ( -1.138 0.468 0.651) 1.392 1.577 ( 0.486 1.486 0.653) 1.694 1.635 ( 0.355 -1.489 1.534) 2.168 1.696 ( 0.436 -0.789 1.934) 2.133 1.815 ( 4.287 0.586 2.809) 5.158 1.902 ( 7.652 1.374 -1.981) 8.023 2.180 ( 5.548 -1.425 -3.493) 6.709 2.227 ( 5.028 -2.408 3.218) 6.437 2.328 ( 5.519 0.234 -1.815) 5.814 2.421 ( 6.787 -0.274 -0.288) 6.799 2.593 ( 2.064 -1.234 -1.102) 2.645 2.635 ( 1.563 -2.544 -2.044) 3.619 2.817 ( 1.072 -0.421 -2.721) 2.955 2.906 ( -2.989 1.606 -0.475) 3.427 2.993 ( -2.627 -1.158 -1.638) 3.306 3.053 ( -1.044 -1.634 -2.151) 2.896 3.104 ( 1.421 -4.055 1.796) 4.657 3.344 ( -1.206 -0.766 2.046) 2.495 3.403 ( 1.720 -1.085 3.487) 4.037 3.447 ( -0.875 -2.596 1.650) 3.198 3.770 ( -0.395 0.771 -1.068) 1.375 3.888 ( 0.759 0.620 0.089) 0.984 4.154 ( -0.516 1.161 -2.441) 2.752 4.236 ( 0.140 -0.414 0.960) 1.055 4.263 ( 1.343 -0.666 -1.009) 1.808 4.353 ( -2.481 0.648 1.390) 2.917 4.481 ( -0.771 1.448 1.336) 2.116 4.536 ( 0.207 0.811 -1.589) 1.796 4.812 ( -1.186 0.161 0.104) 1.201 4.861 ( -1.025 -0.149 0.347) 1.093 4.885 ( -0.254 -0.275 -0.249) 0.450 5.009 ( 0.142 1.241 0.369) 1.303 5.159 ( 3.455 1.428 0.701) 3.803 5.233 ( 1.574 1.440 1.411) 2.557 5.307 ( 2.285 -1.704 -0.554) 2.904 5.378 ( 1.260 -0.348 -0.454) 1.384 5.745 ( -1.585 0.566 1.051) 1.984 5.780 ( -2.001 -0.103 -0.913) 2.202 5.937 ( -2.498 1.069 0.812) 2.836 5.969 ( -0.480 -0.109 0.127) 0.509 6.053 ( -0.998 -0.556 -0.840) 1.418 6.123 ( 0.675 -0.238 -0.748) 1.035 6.205 ( 1.013 0.357 -1.038) 1.494 6.278 ( -0.605 -0.031 0.741) 0.957 6.392 ( -2.865 0.203 1.998) 3.498 6.477 ( -0.710 1.371 -1.800) 2.371 8.262 ( 0.938 -0.038 -0.310) 0.988 8.329 ( -0.304 -3.432 0.147) 3.448 8.687 ( -2.520 1.487 0.546) 2.977 8.724 ( -3.843 -0.784 0.872) 4.018 9.100 ( 1.472 1.850 -0.901) 2.530 9.152 ( 1.152 -0.231 -0.327) 1.220 ======================= Grid point 89 (39/78) ======================= q-point: ( 0.50 0.25 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( 1.239 -3.349 -0.248) 3.580 0.843 ( 2.507 1.575 0.892) 3.092 0.901 ( 1.061 -0.648 0.584) 1.374 0.953 ( 1.116 1.136 -0.762) 1.765 0.993 ( -0.791 1.528 -2.009) 2.645 1.080 ( 1.149 0.873 0.755) 1.629 1.086 ( 1.032 -1.915 -0.670) 2.276 1.158 ( 1.753 -0.821 -0.578) 2.020 1.240 ( 0.835 -2.670 0.267) 2.810 1.319 ( -0.550 -0.224 1.644) 1.748 1.359 ( 0.572 1.017 3.181) 3.388 1.382 ( 1.717 -0.452 -1.173) 2.128 1.446 ( -0.537 0.456 -1.058) 1.271 1.514 ( 0.329 -1.995 -0.209) 2.033 1.534 ( 0.768 1.067 0.396) 1.373 1.570 ( 1.104 -0.157 -0.249) 1.142 1.655 ( -0.327 -0.330 1.931) 1.986 1.718 ( 0.105 -0.902 0.071) 0.911 1.845 ( 4.804 2.389 1.243) 5.508 1.939 ( 5.478 1.449 -0.980) 5.750 2.232 ( 3.109 0.368 -1.233) 3.365 2.305 ( 1.708 -1.265 1.224) 2.453 2.350 ( 0.665 0.015 0.334) 0.744 2.479 ( 6.212 -0.018 -1.878) 6.490 2.616 ( 0.861 0.605 0.120) 1.059 2.707 ( 1.416 -3.523 0.781) 3.876 2.817 ( -0.734 0.808 -2.391) 2.629 2.868 ( -0.615 -1.188 -1.221) 1.812 2.990 ( -1.810 -1.555 -0.757) 2.503 3.059 ( -1.129 -1.272 -1.585) 2.325 3.199 ( 0.919 -3.923 2.358) 4.668 3.350 ( -1.823 -0.702 1.884) 2.714 3.451 ( -0.079 -4.636 -0.222) 4.642 3.533 ( 1.125 -5.658 1.694) 6.012 3.756 ( 0.623 1.027 0.090) 1.205 3.876 ( 0.353 1.209 -0.972) 1.591 4.111 ( 0.378 2.740 -1.629) 3.210 4.236 ( -1.215 1.345 0.392) 1.854 4.279 ( 0.487 -0.819 0.419) 1.041 4.336 ( -1.478 -0.924 -0.473) 1.806 4.457 ( 0.395 1.294 0.960) 1.659 4.514 ( 0.279 1.639 -0.739) 1.820 4.802 ( -0.636 -0.072 0.568) 0.856 4.855 ( -0.530 0.074 0.109) 0.546 4.891 ( -0.120 -0.730 -0.048) 0.741 4.981 ( -0.820 1.697 0.013) 1.885 5.171 ( 3.052 1.338 0.712) 3.407 5.221 ( 0.739 1.646 1.248) 2.194 5.331 ( 0.849 -0.280 -1.843) 2.049 5.389 ( -0.617 0.660 0.089) 0.908 5.719 ( -1.348 0.693 0.470) 1.587 5.770 ( -0.801 -0.411 -0.255) 0.936 5.897 ( -1.680 0.585 0.499) 1.848 5.984 ( 0.623 -0.893 0.245) 1.116 6.050 ( -0.229 -0.180 -0.790) 0.842 6.130 ( 0.392 -0.323 -0.868) 1.005 6.206 ( 1.033 0.487 -0.366) 1.199 6.276 ( -0.574 -0.109 1.134) 1.276 6.368 ( -2.059 0.182 0.925) 2.264 6.445 ( -0.204 1.047 -1.307) 1.687 8.282 ( 1.285 -0.821 0.468) 1.595 8.381 ( -1.223 -3.346 -0.074) 3.563 8.649 ( -1.286 0.916 0.519) 1.662 8.703 ( -2.786 -0.351 0.914) 2.953 9.087 ( 2.220 1.365 -0.928) 2.767 9.154 ( -0.166 0.144 -0.621) 0.659 ======================= Grid point 90 (40/78) ======================= q-point: (-0.38 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( 2.192 1.933 -0.424) 2.953 0.851 ( 2.247 -0.052 0.151) 2.253 0.886 ( -0.517 2.767 -1.009) 2.990 0.931 ( -0.202 0.087 0.571) 0.612 0.968 ( -0.738 0.896 -0.778) 1.397 1.061 ( 1.283 2.713 1.879) 3.541 1.110 ( -0.724 -0.600 -0.288) 0.983 1.164 ( 1.012 0.987 0.023) 1.414 1.283 ( 0.714 -1.135 1.088) 1.727 1.306 ( -1.739 0.951 0.275) 2.001 1.347 ( -1.079 0.401 0.712) 1.354 1.396 ( 1.563 0.230 -0.700) 1.728 1.454 ( 1.389 0.831 -0.596) 1.725 1.499 ( -0.436 0.346 -0.697) 0.892 1.564 ( 1.907 -0.615 -0.233) 2.017 1.604 ( 0.146 -2.631 -1.050) 2.836 1.665 ( 0.547 -0.278 2.262) 2.344 1.725 ( -0.099 -0.177 -1.053) 1.072 1.844 ( 4.049 3.303 0.617) 5.262 1.936 ( 1.445 3.227 -1.084) 3.698 2.210 ( 1.056 4.116 0.431) 4.271 2.306 ( -1.514 1.245 1.265) 2.333 2.349 ( -0.354 1.022 1.691) 2.007 2.512 ( 3.558 1.832 -2.996) 4.999 2.595 ( -1.503 1.354 1.171) 2.337 2.759 ( -0.944 -1.738 1.530) 2.500 2.805 ( -0.098 -1.341 -0.176) 1.356 2.886 ( -0.517 -1.554 -1.646) 2.322 3.004 ( 0.313 -1.310 -1.114) 1.748 3.066 ( -0.518 -0.957 0.168) 1.101 3.256 ( -0.499 -2.049 0.795) 2.254 3.341 ( -1.029 0.273 0.384) 1.132 3.562 ( 0.891 -7.080 0.133) 7.137 3.646 ( 0.288 -5.877 0.391) 5.898 3.744 ( 0.262 1.002 0.221) 1.059 3.849 ( 0.164 1.851 -1.612) 2.461 4.065 ( 1.607 3.449 0.037) 3.805 4.176 ( -2.331 2.890 -0.278) 3.723 4.305 ( 0.317 -1.124 0.259) 1.196 4.336 ( -0.640 -0.430 -0.590) 0.971 4.461 ( 0.593 -0.771 0.459) 1.075 4.488 ( 0.436 1.312 -0.398) 1.438 4.808 ( 0.255 -0.513 0.813) 0.994 4.853 ( -0.059 -0.224 0.237) 0.331 4.902 ( -0.030 -0.372 0.076) 0.381 4.944 ( -1.430 1.041 -0.277) 1.790 5.177 ( 2.712 1.683 0.548) 3.239 5.208 ( 0.886 1.439 1.442) 2.221 5.321 ( -3.244 2.639 -0.378) 4.199 5.341 ( -0.362 0.404 -1.716) 1.800 5.712 ( -0.127 -0.447 0.748) 0.881 5.771 ( -0.113 -0.540 -0.604) 0.818 5.894 ( -0.263 -0.781 1.132) 1.400 6.002 ( 0.182 -0.790 -0.957) 1.254 6.055 ( 0.873 -0.340 0.049) 0.938 6.133 ( -0.083 -0.215 -1.107) 1.131 6.205 ( 0.858 0.802 0.537) 1.291 6.275 ( -0.860 0.018 0.849) 1.208 6.359 ( -0.039 -0.453 0.081) 0.462 6.432 ( -0.344 -0.347 -0.978) 1.093 8.309 ( 1.056 -0.265 1.418) 1.788 8.410 ( -1.498 -1.886 -0.704) 2.509 8.638 ( -0.202 -0.273 0.882) 0.945 8.692 ( -1.340 -0.594 0.426) 1.526 9.091 ( 2.504 0.690 -0.762) 2.707 9.143 ( -1.259 -0.042 -0.827) 1.507 ======================= Grid point 91 (41/78) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( -2.041 5.555 0.718) 5.961 0.819 ( 1.722 3.599 0.491) 4.020 0.870 ( 1.170 1.249 -0.968) 1.966 0.905 ( -0.156 3.256 -2.134) 3.896 0.968 ( 0.715 -1.205 1.619) 2.141 1.038 ( 0.354 1.869 0.154) 1.908 1.108 ( 0.045 -0.410 1.031) 1.111 1.156 ( 0.801 1.128 1.007) 1.711 1.258 ( -1.459 1.644 -0.836) 2.351 1.308 ( 0.172 0.879 -1.887) 2.089 1.329 ( -1.779 -0.335 2.268) 2.902 1.403 ( 2.332 1.144 -0.365) 2.623 1.427 ( -0.708 1.261 1.184) 1.869 1.508 ( 1.192 -0.036 -1.724) 2.096 1.571 ( 0.913 1.391 -0.033) 1.664 1.626 ( 0.184 -0.360 -0.737) 0.841 1.683 ( -0.708 -0.221 0.559) 0.929 1.716 ( -0.762 0.431 -0.559) 1.039 1.807 ( -0.364 4.975 0.468) 5.011 1.866 ( 1.125 3.514 -1.547) 4.001 2.138 ( 1.514 5.993 1.900) 6.467 2.256 ( -1.064 2.830 -0.443) 3.056 2.322 ( 0.886 3.569 2.430) 4.408 2.462 ( -0.241 3.908 -2.227) 4.504 2.577 ( 0.566 0.552 2.157) 2.298 2.764 ( -3.042 -1.082 -1.368) 3.506 2.845 ( 1.312 -1.257 2.227) 2.874 2.894 ( -0.113 -0.757 -0.243) 0.803 3.019 ( -0.183 -0.629 -1.594) 1.723 3.083 ( -0.285 -1.180 1.132) 1.660 3.268 ( -1.449 -0.405 0.036) 1.505 3.329 ( 0.376 0.570 -1.352) 1.515 3.656 ( -0.028 -0.678 0.300) 0.742 3.677 ( -0.098 1.599 0.356) 1.642 3.759 ( 0.161 -0.963 -0.478) 1.087 3.815 ( 0.026 -0.180 -1.586) 1.596 4.048 ( 2.266 0.487 1.564) 2.796 4.121 ( -1.803 0.101 -1.205) 2.171 4.305 ( -0.382 1.174 0.354) 1.284 4.339 ( 0.452 -0.088 -0.808) 0.930 4.476 ( 0.032 -0.594 0.403) 0.719 4.497 ( 0.038 -1.995 -0.430) 2.041 4.828 ( 0.489 -0.922 0.844) 1.342 4.861 ( -0.169 -0.396 0.695) 0.817 4.893 ( -0.913 0.271 -0.039) 0.953 4.931 ( 0.382 -0.217 -0.646) 0.782 5.169 ( -0.349 2.189 0.429) 2.258 5.190 ( 0.904 3.067 0.227) 3.205 5.227 ( -1.770 2.102 1.899) 3.340 5.346 ( 1.053 -0.491 -2.141) 2.436 5.728 ( -0.252 -1.070 0.985) 1.476 5.783 ( 0.300 -1.124 -0.939) 1.495 5.916 ( 0.195 -1.059 1.595) 1.924 6.005 ( -0.826 -0.553 -1.523) 1.819 6.077 ( 1.050 -0.801 0.555) 1.432 6.130 ( -0.471 -0.475 -1.339) 1.497 6.203 ( 0.996 0.799 1.337) 1.848 6.262 ( -1.411 0.167 -0.245) 1.442 6.382 ( 1.169 -1.090 0.514) 1.679 6.440 ( -0.399 -1.506 -1.362) 2.069 8.316 ( -0.265 0.763 2.278) 2.417 8.414 ( 0.022 -0.093 -1.502) 1.505 8.654 ( -0.706 -1.287 1.387) 2.019 8.709 ( 0.847 -2.081 -0.441) 2.290 9.096 ( -0.127 0.642 -0.060) 0.657 9.131 ( 0.126 0.099 -1.190) 1.201 ======================= Grid point 92 (42/78) ======================= q-point: (-0.12 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( -1.246 6.271 4.208) 7.654 0.784 ( 1.733 2.728 -0.252) 3.242 0.818 ( 2.290 6.314 1.425) 6.866 0.864 ( 1.905 1.851 -2.513) 3.657 0.992 ( -0.008 0.633 0.123) 0.645 1.011 ( 0.624 -0.459 -1.834) 1.990 1.121 ( 0.313 0.881 0.270) 0.973 1.157 ( -0.842 -1.033 1.654) 2.124 1.224 ( 1.430 2.976 1.419) 3.593 1.263 ( -1.002 1.274 0.033) 1.622 1.325 ( -1.412 1.107 1.104) 2.107 1.387 ( -0.006 2.630 0.807) 2.752 1.413 ( 0.913 1.308 -1.131) 1.955 1.486 ( 0.799 2.666 -0.757) 2.884 1.547 ( 0.264 1.683 -0.019) 1.703 1.601 ( -1.224 2.740 -1.296) 3.268 1.657 ( -0.624 0.952 1.084) 1.572 1.687 ( -2.750 0.936 1.120) 3.114 1.744 ( 1.203 0.843 -1.360) 2.002 1.842 ( 1.865 1.887 -1.718) 3.161 2.070 ( 4.023 5.912 2.087) 7.450 2.196 ( 2.354 4.630 -2.531) 5.778 2.271 ( 1.967 4.498 1.964) 5.288 2.383 ( -0.181 4.075 -2.753) 4.921 2.605 ( 2.439 0.010 5.040) 5.600 2.725 ( -3.405 0.104 -3.931) 5.201 2.870 ( 0.876 0.267 2.322) 2.496 2.916 ( -0.956 -1.640 1.177) 2.233 3.015 ( -0.429 -0.031 -0.458) 0.628 3.096 ( -0.505 0.087 0.741) 0.901 3.245 ( -0.843 1.670 0.153) 1.877 3.313 ( 0.219 1.147 -2.693) 2.935 3.569 ( -0.871 6.700 0.055) 6.756 3.619 ( -0.241 5.906 -1.730) 6.159 3.771 ( 0.947 -0.677 2.426) 2.690 3.840 ( -0.835 -2.151 -1.929) 3.008 4.108 ( 1.018 -4.083 1.141) 4.359 4.136 ( 0.477 -2.969 -1.013) 3.173 4.275 ( -0.391 1.948 0.737) 2.119 4.331 ( 0.764 1.235 -1.307) 1.953 4.496 ( -0.973 -1.738 0.922) 2.195 4.528 ( -0.513 -2.122 -0.834) 2.337 4.842 ( -0.926 -0.756 0.526) 1.306 4.862 ( -1.203 -0.206 1.202) 1.713 4.901 ( 1.473 -0.728 -0.638) 1.762 4.942 ( 1.491 -0.090 -0.412) 1.550 5.076 ( -4.425 2.968 -0.069) 5.329 5.177 ( 4.741 3.044 0.473) 5.654 5.224 ( 0.540 0.115 2.809) 2.863 5.358 ( 0.989 -0.576 -1.830) 2.159 5.746 ( -0.727 -1.170 1.148) 1.793 5.805 ( 0.130 -1.500 -1.164) 1.903 5.939 ( 0.027 -0.681 1.765) 1.892 6.000 ( -1.235 -0.920 -1.449) 2.114 6.097 ( -0.076 -0.600 0.820) 1.019 6.127 ( -0.552 -0.151 -1.451) 1.560 6.214 ( 1.516 -0.011 1.968) 2.484 6.244 ( -1.429 -0.042 -1.463) 2.046 6.411 ( 0.277 -1.095 0.901) 1.445 6.464 ( -0.271 -2.329 -1.758) 2.931 8.297 ( -1.149 1.451 2.151) 2.838 8.404 ( 1.525 1.606 -1.640) 2.756 8.674 ( -1.531 -2.022 1.190) 2.801 8.772 ( 1.897 -3.619 -0.488) 4.115 9.063 ( -3.035 0.919 -0.113) 3.173 9.133 ( 1.903 0.678 -0.706) 2.140 ======================= Grid point 96 (43/78) ======================= q-point: ( 0.38 0.38 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( 2.606 -0.000 2.272) 3.458 0.820 ( 2.822 -0.000 -1.482) 3.188 0.870 ( 0.505 -0.000 1.625) 1.702 0.965 ( 1.519 -0.000 0.759) 1.698 0.971 ( -0.683 0.000 0.755) 1.018 1.054 ( 0.914 -0.000 -1.380) 1.655 1.062 ( 1.555 -0.000 -1.503) 2.162 1.166 ( 2.212 -0.000 -1.983) 2.971 1.203 ( 0.592 -0.000 -0.018) 0.592 1.318 ( -0.121 0.000 1.426) 1.431 1.335 ( 0.081 -0.000 4.245) 4.246 1.421 ( 2.296 -0.000 -0.507) 2.351 1.468 ( -0.515 0.000 -1.177) 1.285 1.485 ( 0.657 -0.000 -1.893) 2.004 1.539 ( -0.153 0.000 0.410) 0.438 1.586 ( -1.466 0.000 1.212) 1.902 1.640 ( 0.861 -0.000 3.311) 3.422 1.699 ( 0.338 -0.000 2.366) 2.390 1.871 ( 3.287 -0.000 3.365) 4.704 1.978 ( 6.208 -0.000 -2.918) 6.860 2.221 ( 7.131 -0.000 -2.758) 7.646 2.263 ( 3.017 -0.000 3.408) 4.552 2.377 ( 3.016 -0.000 -0.938) 3.158 2.487 ( 6.331 -0.000 -0.759) 6.377 2.594 ( 2.681 -0.000 -0.179) 2.687 2.641 ( 4.441 -0.000 -2.997) 5.358 2.825 ( 3.372 -0.000 -3.350) 4.753 2.896 ( -2.758 0.000 -0.640) 2.831 2.933 ( -3.620 0.000 -2.840) 4.601 3.015 ( -1.626 0.000 -2.565) 3.037 3.100 ( 2.854 -0.000 3.085) 4.203 3.317 ( -2.778 0.000 0.772) 2.883 3.408 ( -2.542 0.000 1.648) 3.029 3.435 ( 1.269 -0.000 3.718) 3.929 3.777 ( 0.615 -0.000 0.040) 0.616 3.899 ( 0.636 -0.000 -1.004) 1.188 4.153 ( 0.172 -0.000 -1.485) 1.495 4.239 ( -0.002 0.000 0.979) 0.979 4.264 ( 1.454 -0.000 -1.463) 2.063 4.327 ( -4.003 0.000 0.756) 4.074 4.496 ( -0.518 0.000 1.906) 1.975 4.543 ( 1.034 -0.000 -1.690) 1.981 4.804 ( -0.797 0.000 0.226) 0.828 4.847 ( -1.176 0.000 0.129) 1.183 4.883 ( 0.039 -0.000 0.318) 0.320 5.021 ( -0.324 0.000 -0.435) 0.542 5.188 ( 0.329 -0.000 1.897) 1.926 5.292 ( 2.580 -0.000 -1.726) 3.104 5.298 ( 1.951 -0.000 0.420) 1.996 5.393 ( 2.354 -0.000 0.123) 2.358 5.742 ( -1.301 0.000 1.159) 1.742 5.750 ( -2.293 0.000 -0.782) 2.422 5.938 ( -1.303 0.000 0.847) 1.554 5.945 ( -1.929 0.000 -0.801) 2.089 6.039 ( -0.554 0.000 0.626) 0.836 6.125 ( 0.995 -0.000 -1.536) 1.830 6.218 ( 1.169 -0.000 -0.252) 1.195 6.269 ( -0.878 0.000 0.104) 0.884 6.374 ( -2.677 0.000 2.377) 3.580 6.477 ( -0.345 0.000 -1.780) 1.813 8.278 ( 1.492 -0.000 -1.130) 1.871 8.289 ( -0.755 0.000 0.963) 1.224 8.661 ( -3.860 0.000 1.030) 3.995 8.705 ( -1.111 0.000 0.962) 1.470 9.115 ( 0.213 -0.000 -1.054) 1.075 9.167 ( 1.434 -0.000 -0.665) 1.581 ======================= Grid point 97 (44/78) ======================= q-point: ( 0.50 0.38 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( 2.461 -2.456 4.017) 5.313 0.868 ( 1.734 -2.024 -0.045) 2.665 0.890 ( -0.851 -1.445 1.926) 2.554 0.964 ( -0.657 -0.036 -0.489) 0.820 0.999 ( 1.380 -0.387 -1.264) 1.911 1.053 ( 0.274 -1.912 -2.294) 2.998 1.083 ( 1.151 -0.693 -0.480) 1.426 1.172 ( 2.035 0.555 -0.211) 2.120 1.216 ( 0.328 -1.160 0.269) 1.235 1.307 ( -1.956 0.023 0.462) 2.010 1.362 ( -0.034 -1.480 2.628) 3.016 1.412 ( 0.485 1.502 -1.158) 1.958 1.456 ( -0.761 1.658 -0.195) 1.835 1.478 ( 0.076 -1.031 -0.628) 1.209 1.551 ( 0.465 0.270 0.916) 1.062 1.583 ( 0.143 0.179 0.862) 0.892 1.654 ( 0.201 -0.450 2.508) 2.556 1.713 ( 0.046 -0.176 1.915) 1.924 1.903 ( 1.126 0.206 2.714) 2.946 2.008 ( 3.818 0.993 -2.655) 4.755 2.274 ( 3.798 0.489 -0.077) 3.831 2.304 ( 1.978 -1.102 0.197) 2.273 2.380 ( 1.345 1.563 0.909) 2.254 2.532 ( 3.872 -0.122 -1.621) 4.200 2.628 ( 1.733 -0.005 -0.338) 1.766 2.685 ( 3.124 -1.614 -1.415) 3.790 2.826 ( -0.483 2.091 -2.995) 3.684 2.852 ( 0.286 0.434 -2.175) 2.237 2.932 ( -1.474 -2.807 -0.501) 3.210 3.008 ( -1.529 -2.063 -2.496) 3.581 3.165 ( 2.026 -2.593 3.433) 4.755 3.310 ( -1.737 -1.912 0.208) 2.592 3.399 ( -1.741 -1.310 1.830) 2.845 3.469 ( -0.558 -2.686 1.293) 3.033 3.780 ( 0.617 0.597 0.659) 1.083 3.892 ( 0.374 0.796 -1.910) 2.103 4.150 ( 1.639 1.181 -0.198) 2.029 4.238 ( -0.761 0.316 0.337) 0.890 4.274 ( -0.591 -0.027 -0.226) 0.634 4.299 ( -1.433 -1.195 -0.770) 2.018 4.485 ( -0.528 1.188 1.604) 2.065 4.540 ( 1.020 1.139 -1.135) 1.904 4.799 ( -0.286 0.041 0.689) 0.747 4.843 ( -0.626 -0.526 -0.265) 0.859 4.887 ( 0.299 -0.112 0.794) 0.856 4.999 ( -0.860 1.372 -1.051) 1.931 5.192 ( -0.581 0.119 1.967) 2.054 5.280 ( 2.443 1.979 -0.867) 3.262 5.329 ( 1.151 -0.456 -0.793) 1.470 5.403 ( 0.068 1.156 -0.173) 1.171 5.720 ( -0.864 0.672 0.527) 1.215 5.748 ( -0.875 -0.931 0.126) 1.284 5.902 ( -0.922 1.237 0.308) 1.573 5.958 ( -0.846 -1.815 -0.663) 2.109 6.043 ( -0.013 -0.385 0.849) 0.933 6.129 ( 0.828 -0.009 -1.570) 1.775 6.226 ( 1.256 0.403 0.145) 1.327 6.265 ( -0.837 -0.447 0.150) 0.961 6.356 ( -1.976 0.252 2.139) 2.923 6.459 ( 0.175 1.106 -1.680) 2.019 8.283 ( 0.708 -0.551 0.501) 1.028 8.319 ( -0.313 -2.633 -0.424) 2.686 8.639 ( -1.827 -0.226 1.538) 2.398 8.694 ( -0.732 0.506 0.670) 1.114 9.111 ( 0.593 0.420 -0.778) 1.064 9.164 ( 0.261 0.915 -1.254) 1.574 ======================= Grid point 98 (45/78) ======================= q-point: (-0.38 -0.62 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( -0.136 -2.102 2.700) 3.425 0.884 ( 0.250 0.245 0.535) 0.639 0.908 ( -0.269 0.607 -0.531) 0.850 0.950 ( 0.809 1.091 -0.733) 1.543 0.987 ( 1.219 1.536 -0.435) 2.009 1.081 ( -0.407 -0.806 -1.623) 1.857 1.110 ( 0.916 -0.815 1.312) 1.796 1.184 ( 0.749 -0.240 1.375) 1.584 1.243 ( -1.247 -1.082 -0.133) 1.656 1.299 ( -0.922 -0.916 0.002) 1.300 1.368 ( -0.795 1.957 -0.026) 2.112 1.394 ( -1.034 -0.328 0.862) 1.386 1.454 ( 2.270 -2.247 -1.473) 3.518 1.498 ( -1.074 -0.993 0.128) 1.469 1.545 ( -0.221 -0.365 0.411) 0.592 1.579 ( -0.221 0.383 0.044) 0.444 1.668 ( -1.226 -0.198 2.285) 2.600 1.729 ( 1.667 -0.285 0.516) 1.768 1.904 ( -0.673 0.972 1.709) 2.078 1.995 ( 0.451 2.597 -1.981) 3.297 2.271 ( -1.943 0.890 0.370) 2.169 2.319 ( 2.429 1.875 -1.073) 3.250 2.381 ( 1.176 0.789 4.076) 4.315 2.562 ( 2.578 -0.326 -1.914) 3.228 2.607 ( -1.314 2.439 -1.055) 2.965 2.716 ( -1.939 -0.793 0.134) 2.099 2.790 ( 0.204 -0.350 -1.013) 1.091 2.861 ( 2.376 -1.455 -3.289) 4.311 2.967 ( -0.846 -2.318 -0.160) 2.473 3.026 ( -1.183 -2.360 -1.517) 3.044 3.222 ( -0.626 -1.587 3.136) 3.570 3.333 ( 0.061 -1.300 -0.084) 1.304 3.458 ( 0.651 -5.790 1.517) 6.021 3.530 ( -1.656 -5.844 -0.594) 6.103 3.773 ( 0.346 1.136 1.105) 1.622 3.869 ( 0.091 1.266 -2.220) 2.557 4.141 ( 2.632 2.737 1.004) 3.928 4.197 ( -1.985 2.314 -1.177) 3.268 4.280 ( -0.764 -1.595 0.508) 1.840 4.319 ( 0.617 -1.251 -1.059) 1.752 4.466 ( -0.680 0.822 1.228) 1.627 4.518 ( 0.587 1.876 -0.794) 2.120 4.805 ( 0.130 -0.385 1.171) 1.239 4.846 ( -0.027 -0.365 -0.327) 0.491 4.901 ( 0.678 -0.417 0.871) 1.180 4.957 ( -0.886 1.859 -1.138) 2.352 5.189 ( -1.025 0.088 1.706) 1.992 5.269 ( 1.571 1.948 0.044) 2.503 5.327 ( -1.545 1.064 -1.211) 2.233 5.359 ( 0.428 2.174 -0.791) 2.353 5.712 ( 0.099 0.183 0.938) 0.960 5.758 ( 0.210 -0.686 -0.553) 0.906 5.891 ( 0.124 -0.016 1.351) 1.357 5.972 ( -1.076 -1.399 -1.571) 2.363 6.058 ( 0.833 -0.544 0.885) 1.332 6.128 ( 0.202 0.158 -1.738) 1.757 6.232 ( 1.208 0.664 0.892) 1.642 6.264 ( -1.028 -0.301 0.032) 1.071 6.349 ( -0.491 -0.509 1.457) 1.620 6.437 ( 0.465 1.183 -1.503) 1.969 8.305 ( -0.789 -1.191 1.302) 1.933 8.362 ( 0.731 -2.608 -0.933) 2.864 8.641 ( 0.180 -0.118 1.627) 1.641 8.684 ( -0.060 0.259 0.424) 0.500 9.109 ( 0.021 0.210 -0.587) 0.624 9.140 ( -0.118 0.976 -1.456) 1.757 ======================= Grid point 99 (46/78) ======================= q-point: (-0.25 -0.62 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( -3.621 2.652 0.611) 4.530 0.862 ( -0.848 -0.748 -1.266) 1.698 0.895 ( 1.236 2.928 -0.677) 3.249 0.949 ( 2.748 0.834 0.380) 2.897 0.974 ( 0.351 0.919 1.275) 1.611 1.064 ( -0.425 1.137 -2.854) 3.102 1.122 ( 0.524 0.767 2.767) 2.919 1.196 ( 1.003 1.524 1.197) 2.182 1.237 ( -3.502 -2.086 0.414) 4.097 1.282 ( -0.801 1.238 -0.831) 1.692 1.343 ( -0.432 0.949 -0.109) 1.048 1.395 ( -1.074 -1.487 0.259) 1.853 1.474 ( 0.449 2.155 -0.395) 2.236 1.517 ( 2.474 -0.968 -0.600) 2.724 1.573 ( -0.588 -0.713 -0.429) 1.019 1.582 ( -0.824 -3.274 -0.198) 3.382 1.657 ( -2.472 -0.211 0.740) 2.589 1.738 ( -0.048 1.338 0.708) 1.515 1.863 ( -2.157 2.878 -0.321) 3.611 1.924 ( -1.188 3.214 -1.112) 3.603 2.226 ( -1.979 1.709 0.338) 2.637 2.302 ( 2.989 2.913 0.171) 4.178 2.386 ( 0.617 1.683 3.331) 3.783 2.524 ( -1.081 4.103 -1.932) 4.662 2.590 ( 0.988 -0.836 1.715) 2.149 2.701 ( -3.011 -1.103 -1.188) 3.420 2.823 ( 0.534 -2.272 0.499) 2.387 2.901 ( 2.736 -0.545 -2.495) 3.742 2.990 ( -0.846 -1.781 -0.466) 2.026 3.049 ( -1.251 -2.158 -0.208) 2.503 3.233 ( -2.106 -0.641 2.023) 2.990 3.353 ( 1.880 0.156 -0.184) 1.896 3.579 ( -0.652 -6.530 0.826) 6.615 3.620 ( -0.913 -6.454 -0.564) 6.543 3.762 ( 0.692 1.083 1.267) 1.805 3.835 ( -0.242 1.813 -2.306) 2.943 4.107 ( -0.066 3.491 0.186) 3.497 4.139 ( 1.292 2.757 -0.482) 3.083 4.301 ( -0.707 -1.200 0.376) 1.443 4.340 ( 1.292 -0.534 -0.702) 1.564 4.459 ( -0.992 -0.702 0.441) 1.293 4.490 ( -0.095 1.316 -0.366) 1.369 4.818 ( -0.234 -0.589 1.029) 1.208 4.855 ( 0.368 -0.323 0.139) 0.509 4.900 ( -0.459 0.817 -0.113) 0.944 4.938 ( 1.419 0.052 -0.196) 1.433 5.174 ( -2.744 1.415 0.504) 3.128 5.216 ( -3.388 1.834 1.892) 4.292 5.297 ( 3.317 1.746 -1.338) 3.980 5.352 ( 2.119 0.781 -1.164) 2.540 5.716 ( -0.305 -0.275 0.953) 1.038 5.770 ( 0.851 -0.510 -0.919) 1.353 5.909 ( 0.367 -0.852 2.063) 2.262 5.972 ( -1.651 -0.964 -1.806) 2.630 6.078 ( 0.654 -0.347 0.682) 1.007 6.118 ( -0.090 0.002 -1.799) 1.801 6.232 ( 0.789 0.865 1.582) 1.969 6.251 ( -1.391 0.329 -0.300) 1.461 6.376 ( 0.953 -1.406 0.663) 1.823 6.422 ( 0.445 0.304 -1.373) 1.475 8.310 ( -2.111 -0.701 1.429) 2.644 8.408 ( 1.965 -1.411 -0.720) 2.524 8.650 ( 0.513 0.263 1.097) 1.239 8.695 ( 1.422 -0.894 0.254) 1.699 9.084 ( -2.762 0.537 -0.767) 2.916 9.138 ( 1.510 -0.144 -0.859) 1.743 ======================= Grid point 100 (47/78) ======================= q-point: (-0.12 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( -2.541 3.619 2.062) 4.879 0.832 ( 0.208 3.017 -1.449) 3.353 0.871 ( 1.308 0.926 -0.379) 1.647 0.957 ( 1.838 2.019 0.835) 2.855 0.976 ( 0.580 -0.819 -0.345) 1.061 1.025 ( 0.109 1.679 -3.110) 3.536 1.133 ( 0.907 -0.397 1.311) 1.643 1.162 ( -0.795 2.248 0.352) 2.410 1.234 ( -1.054 -0.288 0.870) 1.397 1.265 ( -2.237 -0.245 0.190) 2.259 1.319 ( -0.338 0.251 -1.241) 1.310 1.417 ( 0.397 -0.809 -0.066) 0.904 1.440 ( 0.400 2.097 -0.109) 2.138 1.533 ( 1.721 1.299 -0.115) 2.159 1.550 ( -3.128 1.289 -0.125) 3.386 1.615 ( -0.266 -0.327 -1.053) 1.134 1.649 ( -0.775 -1.257 0.728) 1.647 1.681 ( -4.061 2.230 1.498) 4.869 1.791 ( 0.937 2.965 -3.253) 4.500 1.886 ( 0.658 1.577 -0.123) 1.713 2.189 ( 1.216 2.413 1.015) 2.887 2.284 ( 3.926 3.259 -0.391) 5.117 2.357 ( 0.336 3.207 1.133) 3.418 2.448 ( 0.430 3.620 -1.587) 3.976 2.629 ( -0.192 -1.045 3.918) 4.059 2.681 ( -1.151 -0.279 -1.226) 1.704 2.863 ( -0.391 -1.863 -0.027) 1.903 2.907 ( 0.961 0.698 -1.144) 1.649 3.013 ( 0.451 -0.883 1.204) 1.560 3.070 ( -1.240 -1.792 0.218) 2.190 3.228 ( -2.121 -0.603 1.381) 2.601 3.358 ( 2.423 1.770 -0.613) 3.063 3.619 ( -2.357 0.162 -0.265) 2.377 3.685 ( -0.023 0.924 0.280) 0.965 3.764 ( 0.037 -0.653 0.307) 0.722 3.806 ( 0.530 -0.420 -1.351) 1.511 4.061 ( -1.014 -0.232 -1.649) 1.950 4.133 ( 2.716 0.362 1.144) 2.969 4.300 ( -0.329 0.836 0.551) 1.054 4.354 ( 1.557 0.474 -0.862) 1.841 4.466 ( -1.334 -0.771 0.431) 1.599 4.481 ( -0.996 -1.565 -0.437) 1.906 4.822 ( -0.965 -0.333 0.207) 1.042 4.852 ( -0.994 0.035 0.549) 1.136 4.907 ( 1.684 -0.540 -0.165) 1.776 4.958 ( 2.070 -0.240 0.171) 2.091 5.085 ( -4.184 3.049 -0.102) 5.178 5.202 ( -1.143 -0.287 2.623) 2.876 5.303 ( 4.415 2.014 -0.716) 4.905 5.359 ( 1.918 0.293 -1.410) 2.399 5.723 ( -0.989 -0.888 0.881) 1.595 5.784 ( 0.540 -0.678 -0.938) 1.277 5.934 ( 0.194 -0.771 1.875) 2.037 5.963 ( -1.798 -0.845 -1.243) 2.344 6.080 ( -1.041 -0.361 -0.639) 1.274 6.122 ( 0.787 -0.327 -0.346) 0.920 6.227 ( -1.281 0.193 -1.196) 1.763 6.236 ( 0.816 0.523 2.056) 2.273 6.398 ( -0.266 -0.719 -0.403) 0.866 6.433 ( 0.942 -1.003 -0.663) 1.527 8.300 ( -1.881 0.079 1.214) 2.240 8.436 ( 1.923 0.274 -0.223) 1.955 8.651 ( -0.159 -0.008 0.134) 0.208 8.742 ( 2.054 -2.212 0.296) 3.032 9.042 ( -3.186 0.503 -0.567) 3.275 9.153 ( 1.330 -0.025 -0.448) 1.404 ======================= Grid point 105 (48/78) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( 2.033 -0.000 5.929) 6.268 0.846 ( -2.705 0.000 0.699) 2.794 0.855 ( 0.617 -0.000 0.496) 0.792 0.956 ( -1.645 0.000 -1.506) 2.230 0.980 ( 0.163 -0.000 1.801) 1.808 1.065 ( 0.434 -0.000 -2.810) 2.843 1.079 ( 2.420 -0.000 -0.472) 2.465 1.191 ( -1.793 0.000 -0.852) 1.986 1.200 ( 1.900 -0.000 0.105) 1.903 1.289 ( -1.514 0.000 -1.989) 2.499 1.352 ( -0.679 0.000 2.752) 2.835 1.415 ( -0.363 0.000 -1.274) 1.324 1.467 ( -1.592 0.000 -0.067) 1.593 1.474 ( 0.587 -0.000 0.438) 0.733 1.580 ( 1.928 -0.000 1.334) 2.344 1.584 ( 0.238 -0.000 0.878) 0.910 1.648 ( -2.210 0.000 3.417) 4.070 1.722 ( -0.143 0.000 2.367) 2.371 1.908 ( -1.804 0.000 2.587) 3.153 2.026 ( 0.867 -0.000 -2.945) 3.070 2.275 ( -3.184 0.000 0.301) 3.199 2.343 ( 5.503 -0.000 -0.624) 5.538 2.409 ( 0.005 -0.000 3.064) 3.064 2.536 ( 0.270 -0.000 -2.873) 2.886 2.652 ( 0.891 -0.000 0.118) 0.899 2.689 ( 2.454 -0.000 -3.069) 3.929 2.841 ( -0.994 0.000 -2.602) 2.786 2.851 ( 0.671 -0.000 -4.413) 4.464 2.896 ( 0.671 -0.000 1.183) 1.360 2.955 ( -2.614 0.000 -2.266) 3.459 3.184 ( 2.974 -0.000 3.473) 4.572 3.273 ( -1.307 0.000 -0.551) 1.418 3.379 ( -1.354 0.000 2.682) 3.005 3.441 ( -1.622 0.000 1.109) 1.965 3.791 ( 0.332 -0.000 0.856) 0.918 3.893 ( 0.060 -0.000 -2.634) 2.635 4.183 ( 2.677 -0.000 1.273) 2.964 4.240 ( -0.298 0.000 0.634) 0.701 4.250 ( -2.870 0.000 -1.115) 3.079 4.282 ( 1.021 -0.000 -1.288) 1.644 4.491 ( -1.354 0.000 1.620) 2.112 4.558 ( 1.181 -0.000 -1.049) 1.579 4.803 ( 0.417 -0.000 0.694) 0.810 4.832 ( -0.213 0.000 -0.418) 0.469 4.896 ( 0.654 -0.000 1.515) 1.650 4.996 ( -1.093 0.000 -1.998) 2.278 5.192 ( -1.072 0.000 2.001) 2.270 5.305 ( 1.089 -0.000 -2.455) 2.686 5.341 ( 1.052 -0.000 1.450) 1.791 5.406 ( -1.886 0.000 -0.839) 2.064 5.726 ( -0.838 0.000 0.582) 1.020 5.736 ( 1.434 -0.000 0.375) 1.482 5.916 ( -0.866 0.000 -0.314) 0.921 5.922 ( 0.323 -0.000 -0.406) 0.519 6.043 ( -0.070 0.000 1.403) 1.405 6.132 ( 0.817 -0.000 -1.766) 1.946 6.242 ( 1.105 -0.000 0.349) 1.159 6.253 ( -0.568 0.000 -0.258) 0.624 6.351 ( -1.214 0.000 2.481) 2.762 6.467 ( 0.637 -0.000 -1.765) 1.876 8.276 ( -1.022 0.000 0.439) 1.112 8.301 ( 1.207 -0.000 -0.461) 1.292 8.634 ( 0.087 -0.000 2.178) 2.180 8.696 ( -0.178 0.000 0.283) 0.334 9.117 ( 0.492 -0.000 -0.385) 0.624 9.166 ( -0.530 0.000 -1.804) 1.880 ======================= Grid point 106 (49/78) ======================= q-point: (-0.38 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( -4.188 -1.219 2.554) 5.055 0.845 ( -2.967 -1.340 0.522) 3.298 0.899 ( 0.108 -2.288 2.119) 3.120 0.952 ( 0.386 -1.645 -0.465) 1.753 1.012 ( -1.330 -2.267 -1.125) 2.859 1.039 ( 0.593 0.573 -1.203) 1.458 1.111 ( 1.199 -0.688 1.520) 2.054 1.176 ( -0.486 -0.622 -1.532) 1.724 1.230 ( 0.931 -0.862 0.763) 1.480 1.270 ( -0.173 -0.592 -2.356) 2.435 1.365 ( -1.065 -1.111 1.986) 2.513 1.396 ( -1.044 1.702 -0.090) 1.999 1.443 ( -0.774 0.157 -0.720) 1.069 1.475 ( -0.312 0.306 0.044) 0.439 1.570 ( 0.531 1.204 1.901) 2.312 1.586 ( -1.045 0.729 0.395) 1.334 1.652 ( -2.095 -0.427 2.598) 3.365 1.734 ( 0.005 -1.075 2.001) 2.271 1.892 ( -3.378 -0.202 1.750) 3.810 2.007 ( -1.896 0.923 -1.933) 2.861 2.227 ( -6.189 -0.098 -0.484) 6.208 2.376 ( 2.727 0.746 -1.781) 3.341 2.414 ( -0.252 0.746 5.457) 5.513 2.530 ( -2.006 -1.791 -2.644) 3.771 2.623 ( -2.303 1.759 -1.582) 3.302 2.708 ( 0.675 -0.101 -1.015) 1.223 2.801 ( 0.629 1.834 -1.842) 2.674 2.850 ( 2.048 -0.951 -5.429) 5.880 2.919 ( -1.098 -1.992 0.848) 2.428 2.957 ( -2.062 -3.205 -1.638) 4.148 3.222 ( 0.994 -0.144 3.812) 3.942 3.294 ( 0.363 -3.004 -0.750) 3.117 3.403 ( 0.624 -2.476 2.396) 3.501 3.444 ( -1.920 -2.127 0.822) 2.981 3.796 ( 0.728 0.602 1.349) 1.647 3.875 ( -0.513 0.667 -2.631) 2.763 4.198 ( -0.240 1.244 -0.724) 1.459 4.218 ( 1.604 1.258 0.285) 2.058 4.248 ( -0.607 -0.796 0.548) 1.142 4.302 ( 1.034 -1.319 -0.953) 1.928 4.475 ( -1.391 0.786 1.322) 2.074 4.551 ( 0.656 1.487 -0.872) 1.844 4.810 ( 0.698 0.187 0.897) 1.152 4.839 ( 0.604 -0.713 -0.468) 1.045 4.910 ( 0.818 0.029 1.852) 2.025 4.968 ( -0.849 0.980 -2.114) 2.480 5.186 ( -1.143 0.168 1.799) 2.138 5.296 ( -1.105 1.317 -1.144) 2.065 5.329 ( -1.396 1.424 -0.098) 1.996 5.380 ( -0.731 -0.094 -0.373) 0.826 5.721 ( 0.018 0.159 0.508) 0.532 5.761 ( 2.468 -0.177 0.075) 2.475 5.901 ( 0.088 0.464 0.664) 0.815 5.940 ( 0.310 -0.800 -0.968) 1.293 6.057 ( 0.542 -0.885 1.172) 1.565 6.128 ( 0.061 0.359 -1.905) 1.940 6.246 ( -0.325 0.166 -0.239) 0.436 6.258 ( 1.025 -0.261 0.389) 1.127 6.350 ( -0.290 0.180 2.281) 2.307 6.460 ( 1.200 1.104 -1.676) 2.338 8.274 ( -1.517 -0.849 0.331) 1.770 8.331 ( 1.273 -2.289 -0.263) 2.632 8.655 ( 1.969 -0.122 2.016) 2.821 8.694 ( 0.510 0.351 0.245) 0.666 9.113 ( -0.397 0.940 -0.397) 1.094 9.145 ( -0.495 0.432 -1.678) 1.802 ======================= Grid point 107 (50/78) ======================= q-point: (-0.25 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( -4.914 -2.041 0.566) 5.351 0.814 ( -4.512 -0.349 -0.115) 4.527 0.930 ( -1.511 -0.954 0.347) 1.821 0.971 ( 0.906 1.024 -0.102) 1.371 1.002 ( -0.478 -0.483 -0.643) 0.936 1.056 ( 0.781 -0.307 -1.076) 1.365 1.136 ( -0.361 -0.498 1.693) 1.801 1.176 ( -1.427 -0.386 -0.477) 1.554 1.228 ( 0.103 0.515 -0.694) 0.870 1.293 ( 0.037 -0.304 -0.413) 0.515 1.346 ( -1.886 1.521 0.610) 2.499 1.373 ( -0.787 -0.604 1.681) 1.952 1.463 ( -1.138 -1.709 -0.508) 2.116 1.480 ( 0.259 -3.422 -0.541) 3.474 1.551 ( -2.575 0.069 -0.231) 2.586 1.583 ( 2.621 1.066 1.769) 3.337 1.636 ( -1.667 0.078 0.286) 1.693 1.743 ( -3.126 0.348 1.646) 3.550 1.862 ( -3.164 0.088 0.228) 3.173 1.938 ( -3.683 2.606 -0.866) 4.594 2.173 ( -6.064 -1.736 -0.915) 6.373 2.371 ( 0.556 1.148 0.249) 1.300 2.404 ( -2.126 0.531 1.200) 2.498 2.538 ( -3.052 -0.211 0.603) 3.118 2.567 ( -1.023 -0.680 -2.556) 2.836 2.694 ( 0.389 1.377 0.821) 1.649 2.804 ( 1.405 -0.949 -0.822) 1.884 2.889 ( 2.535 -2.563 -4.584) 5.832 2.944 ( -1.055 -2.189 0.261) 2.444 2.988 ( -1.721 -2.968 -0.707) 3.503 3.234 ( -0.274 0.655 3.391) 3.464 3.354 ( 1.524 -2.449 0.600) 2.946 3.468 ( -1.517 -4.807 0.064) 5.041 3.508 ( 0.799 -6.074 1.439) 6.293 3.793 ( 0.587 1.310 1.213) 1.880 3.845 ( -0.627 0.999 -1.991) 2.314 4.147 ( -0.779 2.874 -2.763) 4.062 4.213 ( 2.090 2.448 1.351) 3.490 4.267 ( -0.481 -1.709 0.913) 1.996 4.333 ( 1.086 -1.402 -0.755) 1.928 4.453 ( -1.006 0.765 0.907) 1.556 4.521 ( 0.368 2.216 -0.694) 2.351 4.817 ( 0.406 0.031 0.658) 0.774 4.859 ( 1.175 -0.388 0.171) 1.249 4.907 ( -0.597 0.932 -0.231) 1.131 4.953 ( 1.108 0.048 0.046) 1.110 5.171 ( -2.290 1.141 0.668) 2.644 5.216 ( -4.573 2.056 1.452) 5.220 5.320 ( 1.442 0.078 -1.937) 2.416 5.383 ( 0.414 -0.122 0.051) 0.435 5.720 ( 0.203 0.405 0.550) 0.713 5.784 ( 2.464 0.458 -0.514) 2.558 5.908 ( 0.235 -0.562 1.497) 1.616 5.943 ( -0.192 -0.101 -0.911) 0.936 6.081 ( 0.460 -0.317 -0.012) 0.559 6.113 ( -0.022 0.067 -1.376) 1.378 6.233 ( -1.076 0.242 -0.760) 1.339 6.269 ( 0.885 0.791 1.545) 1.949 6.365 ( 0.818 -0.959 0.988) 1.602 6.445 ( 1.542 1.516 -1.339) 2.543 8.274 ( -2.001 -1.180 0.422) 2.361 8.391 ( 1.578 -2.789 -0.041) 3.205 8.674 ( 1.567 0.860 0.633) 1.896 8.708 ( 2.478 -0.214 0.913) 2.650 9.070 ( -2.567 1.543 -0.972) 3.149 9.143 ( 0.736 -0.249 -0.679) 1.032 ======================= Grid point 108 (51/78) ======================= q-point: (-0.12 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( -4.441 0.859 0.951) 4.622 0.825 ( -1.661 -3.561 -1.396) 4.170 0.901 ( -1.059 1.710 -1.053) 2.271 0.953 ( -1.430 0.825 1.865) 2.491 1.002 ( -0.230 1.035 0.057) 1.062 1.044 ( 0.852 1.191 -3.231) 3.547 1.132 ( -1.153 -0.108 0.187) 1.174 1.171 ( -1.100 -1.083 -0.077) 1.546 1.214 ( -1.289 0.729 1.076) 1.830 1.273 ( -0.348 1.654 0.171) 1.698 1.313 ( -0.621 0.367 -1.196) 1.397 1.396 ( 0.182 -1.494 0.647) 1.638 1.459 ( -1.022 0.061 0.055) 1.025 1.523 ( -3.108 -0.825 0.838) 3.323 1.559 ( 0.298 -0.916 -1.370) 1.675 1.582 ( 0.393 -0.992 -0.757) 1.308 1.642 ( 1.136 -0.273 1.905) 2.235 1.674 ( -4.964 1.735 0.975) 5.348 1.824 ( -0.404 1.711 -3.260) 3.704 1.888 ( -1.849 -0.252 0.359) 1.900 2.165 ( -3.498 -2.979 -0.822) 4.667 2.353 ( -0.622 1.174 0.692) 1.498 2.379 ( -2.019 -0.177 -0.530) 2.095 2.483 ( -1.047 2.220 -1.375) 2.813 2.594 ( -1.984 -2.268 0.832) 3.126 2.695 ( 1.904 0.337 2.773) 3.381 2.835 ( 0.614 -1.394 0.108) 1.527 2.926 ( 2.107 0.023 -1.795) 2.768 2.977 ( -1.234 -2.855 0.480) 3.147 3.021 ( -0.443 -2.884 -1.613) 3.334 3.228 ( -0.232 0.917 3.479) 3.605 3.391 ( 1.153 -0.103 0.536) 1.276 3.548 ( -0.758 -5.400 -0.328) 5.463 3.634 ( 0.725 -6.519 1.276) 6.682 3.764 ( -1.304 1.479 -1.115) 2.265 3.825 ( 0.985 1.237 -0.164) 1.590 4.075 ( -0.705 3.287 -2.732) 4.332 4.190 ( 1.466 2.692 1.378) 3.361 4.293 ( -0.524 -1.290 0.834) 1.623 4.361 ( 0.811 -1.092 -0.782) 1.569 4.441 ( -0.493 -0.094 0.396) 0.639 4.486 ( 0.393 2.006 -0.403) 2.084 4.819 ( 0.030 0.402 0.234) 0.466 4.852 ( -0.741 0.925 0.075) 1.187 4.911 ( 1.417 -0.798 -0.171) 1.636 4.971 ( 1.412 -0.433 0.500) 1.560 5.089 ( -4.533 2.643 0.008) 5.248 5.194 ( -1.185 -0.287 2.418) 2.708 5.329 ( 1.368 -0.218 -1.933) 2.378 5.388 ( 0.368 -0.015 -0.076) 0.376 5.714 ( -0.072 0.508 0.596) 0.786 5.791 ( 1.353 0.651 -0.722) 1.666 5.927 ( -0.224 -0.747 0.374) 0.865 5.943 ( 0.524 -0.086 0.679) 0.862 6.067 ( -0.932 0.393 -1.582) 1.877 6.125 ( 1.073 -0.449 0.172) 1.176 6.214 ( -1.213 0.201 -1.089) 1.642 6.265 ( 0.595 1.086 2.004) 2.356 6.385 ( 0.118 -0.310 -0.790) 0.857 6.440 ( 1.754 0.409 -0.355) 1.835 8.277 ( -1.551 -1.009 0.559) 1.933 8.442 ( 0.994 -1.476 0.339) 1.812 8.668 ( 1.010 1.355 -0.232) 1.705 8.744 ( 2.394 -0.410 0.666) 2.518 9.020 ( -2.376 0.707 -0.697) 2.575 9.156 ( 0.692 -0.535 -0.316) 0.930 ======================= Grid point 114 (52/78) ======================= q-point: (-0.38 -0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( -7.903 0.000 1.199) 7.993 0.805 ( -7.444 0.000 1.190) 7.539 0.881 ( 0.688 -0.000 2.732) 2.817 0.912 ( -1.181 0.000 -0.378) 1.240 0.986 ( -0.853 0.000 1.383) 1.625 1.007 ( -4.075 0.000 -3.824) 5.589 1.137 ( 1.774 -0.000 2.188) 2.816 1.164 ( 1.699 -0.000 -3.744) 4.111 1.245 ( -1.256 0.000 -3.521) 3.738 1.250 ( 2.235 -0.000 3.236) 3.933 1.356 ( -0.617 0.000 2.348) 2.427 1.407 ( -0.499 0.000 -0.200) 0.537 1.442 ( -0.579 0.000 -0.316) 0.660 1.455 ( -4.546 0.000 -0.237) 4.553 1.579 ( -1.392 0.000 -0.914) 1.665 1.592 ( 1.176 -0.000 1.232) 1.703 1.648 ( -1.807 0.000 5.919) 6.189 1.713 ( -2.130 0.000 0.996) 2.352 1.857 ( -4.201 0.000 1.374) 4.420 1.985 ( -2.747 0.000 -1.119) 2.966 2.151 ( -8.379 0.000 -0.881) 8.425 2.368 ( -3.536 0.000 0.533) 3.576 2.452 ( 1.352 -0.000 3.649) 3.892 2.459 ( -5.298 0.000 -4.022) 6.652 2.600 ( -5.189 0.000 -1.111) 5.307 2.712 ( 2.591 -0.000 -3.095) 4.036 2.823 ( 1.146 -0.000 -4.855) 4.988 2.840 ( 0.521 -0.000 -2.393) 2.449 2.888 ( -1.904 0.000 -1.213) 2.258 2.898 ( -0.795 0.000 1.411) 1.619 3.255 ( 0.118 -0.000 -2.520) 2.522 3.259 ( 1.732 -0.000 4.785) 5.089 3.404 ( 1.493 -0.000 2.576) 2.978 3.415 ( -1.792 0.000 2.149) 2.798 3.820 ( 1.863 -0.000 1.731) 2.543 3.861 ( -1.433 0.000 -2.606) 2.974 4.201 ( -0.330 0.000 -3.307) 3.323 4.207 ( -1.172 0.000 0.769) 1.402 4.286 ( 3.405 -0.000 2.464) 4.203 4.291 ( 0.678 -0.000 -1.085) 1.279 4.473 ( -1.181 0.000 1.214) 1.694 4.566 ( 0.497 -0.000 -1.011) 1.127 4.831 ( 0.495 -0.000 -0.692) 0.851 4.833 ( 1.864 -0.000 0.975) 2.104 4.929 ( 0.935 -0.000 2.600) 2.763 4.957 ( -0.975 0.000 -2.642) 2.816 5.184 ( -1.008 0.000 2.042) 2.277 5.284 ( -3.507 0.000 -1.833) 3.957 5.338 ( -2.883 0.000 2.069) 3.548 5.344 ( -0.842 0.000 -1.472) 1.696 5.726 ( 0.750 -0.000 0.370) 0.836 5.789 ( 2.952 -0.000 -0.126) 2.955 5.904 ( -0.306 0.000 0.285) 0.418 5.955 ( 3.083 -0.000 -0.186) 3.089 6.055 ( 0.490 -0.000 1.198) 1.294 6.121 ( -0.678 0.000 -2.077) 2.185 6.246 ( 0.125 -0.000 -0.887) 0.896 6.265 ( 0.950 -0.000 0.478) 1.064 6.361 ( 0.226 -0.000 2.549) 2.559 6.480 ( 2.072 -0.000 -1.691) 2.675 8.257 ( -0.974 0.000 -0.288) 1.016 8.314 ( 0.252 -0.000 0.104) 0.273 8.691 ( 3.697 -0.000 1.920) 4.166 8.704 ( 0.934 -0.000 0.167) 0.948 9.127 ( -1.768 0.000 -1.899) 2.595 9.127 ( 0.499 -0.000 0.098) 0.508 ======================= Grid point 115 (53/78) ======================= q-point: (-0.25 -0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( -8.328 -3.593 1.553) 9.202 0.735 ( -9.302 -1.696 2.081) 9.682 0.880 ( -2.118 -1.157 -0.427) 2.451 0.940 ( -3.453 -1.141 -1.629) 3.985 0.968 ( -0.747 -3.201 -0.184) 3.293 1.029 ( -0.624 -4.346 0.013) 4.391 1.132 ( -0.046 1.433 0.267) 1.458 1.175 ( 0.442 0.009 -1.771) 1.825 1.215 ( -2.358 -0.355 -0.985) 2.580 1.293 ( 0.768 0.284 1.168) 1.426 1.341 ( -3.008 -0.617 1.522) 3.427 1.373 ( -1.925 1.709 2.086) 3.313 1.423 ( 0.066 -1.485 -1.701) 2.259 1.447 ( -1.397 -0.449 0.432) 1.530 1.532 ( -2.835 1.502 -0.925) 3.339 1.622 ( 1.609 -0.071 0.579) 1.711 1.642 ( -0.318 0.687 3.673) 3.750 1.702 ( -4.336 -0.845 1.537) 4.677 1.818 ( -4.498 -0.036 0.647) 4.545 1.941 ( -2.976 1.602 -0.281) 3.391 2.070 ( -7.816 -1.372 -1.297) 8.041 2.330 ( -6.331 -1.163 0.942) 6.506 2.378 ( -5.844 0.249 -2.846) 6.505 2.489 ( -0.851 -2.073 0.304) 2.261 2.534 ( -4.513 0.178 -1.847) 4.880 2.728 ( 2.366 0.454 -1.282) 2.729 2.811 ( 0.617 0.568 -1.339) 1.580 2.844 ( 1.900 -2.462 -3.922) 5.005 2.899 ( -1.346 -1.882 0.018) 2.314 2.931 ( 0.776 -2.628 1.130) 2.964 3.249 ( 0.128 -0.230 -0.994) 1.028 3.318 ( 1.413 -2.823 2.937) 4.312 3.412 ( -1.223 -0.949 2.029) 2.552 3.452 ( 1.197 -2.784 2.031) 3.648 3.819 ( -1.274 1.399 -1.207) 2.245 3.850 ( 1.436 0.140 0.497) 1.526 4.174 ( 0.516 1.721 -3.253) 3.716 4.212 ( -1.423 -1.319 0.372) 1.976 4.290 ( 1.514 0.727 0.231) 1.695 4.324 ( 1.302 -0.100 1.555) 2.031 4.463 ( -0.247 0.635 0.958) 1.176 4.556 ( 0.872 1.445 -1.180) 2.059 4.830 ( 0.863 0.367 -0.122) 0.945 4.863 ( 1.447 -0.607 0.602) 1.680 4.921 ( -0.452 1.357 -0.921) 1.701 4.957 ( 0.505 -0.600 0.994) 1.266 5.173 ( -2.270 1.456 0.954) 2.861 5.205 ( -4.665 1.680 1.098) 5.078 5.321 ( -1.178 -0.603 -0.268) 1.350 5.352 ( -1.320 -1.401 -0.528) 1.996 5.736 ( 1.180 0.373 0.687) 1.416 5.815 ( 2.474 0.163 -0.921) 2.645 5.905 ( -0.128 -0.230 1.089) 1.120 5.971 ( 2.974 1.625 0.073) 3.390 6.075 ( 0.101 -0.473 -0.573) 0.750 6.106 ( -0.121 -0.394 -1.011) 1.092 6.231 ( -0.476 0.920 -1.217) 1.598 6.285 ( 0.853 -0.516 0.825) 1.294 6.373 ( 0.919 0.127 1.857) 2.076 6.486 ( 2.533 1.384 -1.508) 3.256 8.244 ( -1.324 -0.267 -0.238) 1.372 8.348 ( 0.412 -3.225 0.040) 3.251 8.709 ( 1.593 0.904 0.566) 1.917 8.741 ( 4.128 -0.222 1.000) 4.253 9.077 ( -2.046 2.279 -0.954) 3.207 9.139 ( 0.239 -0.515 -0.402) 0.696 ======================= Grid point 116 (54/78) ======================= q-point: (-0.12 -0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.664 ( -7.209 -3.444 0.763) 8.026 0.710 ( -6.678 -4.960 1.964) 8.547 0.855 ( -4.225 -0.976 -1.104) 4.474 0.962 ( -1.395 -3.537 -1.548) 4.105 0.990 ( -0.643 0.530 1.885) 2.061 1.056 ( -1.054 1.115 -1.016) 1.841 1.112 ( -1.725 -0.691 -2.718) 3.292 1.156 ( -1.343 0.205 -0.091) 1.361 1.208 ( -1.298 -0.275 1.795) 2.232 1.274 ( -2.249 -1.644 -0.168) 2.791 1.316 ( -1.650 2.080 0.218) 2.664 1.372 ( -0.776 -1.642 0.855) 2.007 1.432 ( -1.998 -0.728 0.060) 2.127 1.474 ( -0.848 -2.699 0.800) 2.940 1.508 ( -0.431 -2.007 -0.732) 2.180 1.601 ( -0.478 1.802 -0.465) 1.921 1.650 ( -3.867 0.733 1.649) 4.267 1.675 ( 2.799 0.406 1.696) 3.298 1.785 ( -4.077 -1.702 -0.191) 4.423 1.886 ( -1.568 1.704 -1.140) 2.581 2.051 ( -5.024 -4.201 -0.926) 6.614 2.298 ( -6.344 -2.480 0.426) 6.825 2.321 ( -5.288 -1.512 -2.848) 6.194 2.482 ( -2.708 -0.430 -0.275) 2.755 2.529 ( -2.176 -2.747 -0.619) 3.559 2.738 ( 2.598 0.968 0.308) 2.790 2.826 ( 1.004 -1.139 1.126) 1.890 2.912 ( 2.011 -3.434 -1.867) 4.395 2.921 ( -0.590 -2.300 -1.103) 2.618 2.983 ( 1.593 -1.570 1.302) 2.588 3.249 ( -0.144 0.064 0.514) 0.538 3.384 ( 0.122 -1.713 2.167) 2.765 3.453 ( 0.321 -4.863 0.512) 4.900 3.537 ( 0.691 -5.623 0.905) 5.738 3.768 ( -2.297 1.638 -1.830) 3.362 3.861 ( 1.992 1.091 0.819) 2.414 4.123 ( 0.459 3.625 -2.880) 4.653 4.223 ( -0.956 -0.768 0.637) 1.382 4.289 ( 0.828 1.390 1.533) 2.229 4.335 ( -0.754 -1.174 -0.221) 1.412 4.458 ( 1.074 0.894 0.762) 1.592 4.532 ( 1.596 2.240 -1.083) 2.956 4.833 ( 0.926 0.442 0.152) 1.037 4.863 ( -0.975 1.237 0.050) 1.576 4.911 ( 1.360 -0.474 -0.598) 1.560 4.974 ( 0.356 -0.484 0.921) 1.100 5.084 ( -4.985 2.466 0.111) 5.563 5.190 ( -0.949 -0.084 2.771) 2.930 5.321 ( -1.785 -1.179 -0.509) 2.199 5.357 ( -1.357 -1.033 -0.906) 1.932 5.737 ( 0.926 1.066 0.886) 1.667 5.819 ( 1.356 1.130 -1.226) 2.149 5.918 ( 0.216 -0.547 1.088) 1.237 5.975 ( 3.073 1.444 0.608) 3.450 6.057 ( -1.098 0.176 -2.044) 2.327 6.129 ( 1.250 -0.633 0.308) 1.435 6.205 ( -1.046 0.602 -1.310) 1.781 6.293 ( 0.288 0.708 1.475) 1.662 6.387 ( 0.935 0.106 0.207) 0.963 6.477 ( 2.321 1.757 -1.008) 3.080 8.245 ( -1.063 -1.260 0.241) 1.666 8.408 ( 0.133 -3.131 -0.073) 3.134 8.706 ( 1.361 1.527 0.559) 2.120 8.778 ( 3.199 0.870 0.121) 3.317 9.018 ( -1.497 1.630 -0.419) 2.252 9.149 ( 0.056 -0.658 -0.321) 0.735 ======================= Grid point 123 (55/78) ======================= q-point: (-0.25 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.544 ( -10.623 0.000 3.369) 11.145 0.614 ( -12.329 0.000 3.913) 12.935 0.863 ( -5.401 0.000 -0.526) 5.426 0.876 ( -2.375 0.000 1.375) 2.744 0.893 ( -3.681 0.000 -3.524) 5.096 0.979 ( -0.629 0.000 0.902) 1.099 1.134 ( -7.627 0.000 1.091) 7.705 1.152 ( -1.023 0.000 1.398) 1.732 1.179 ( -1.466 0.000 -3.015) 3.352 1.310 ( 0.073 -0.000 1.647) 1.649 1.312 ( -1.630 0.000 -3.962) 4.284 1.367 ( -1.190 0.000 4.216) 4.381 1.423 ( -0.948 0.000 -1.965) 2.182 1.429 ( -0.628 0.000 0.772) 0.996 1.519 ( -2.028 0.000 -0.814) 2.186 1.615 ( -4.886 0.000 4.475) 6.625 1.661 ( 2.894 -0.000 1.521) 3.270 1.670 ( -1.839 0.000 0.002) 1.839 1.790 ( -2.491 0.000 0.787) 2.613 1.925 ( -2.624 0.000 -0.682) 2.712 1.972 ( -7.767 0.000 -1.597) 7.930 2.246 ( -8.702 0.000 1.250) 8.792 2.291 ( -8.453 0.000 -2.499) 8.815 2.458 ( -1.703 0.000 -0.975) 1.962 2.479 ( -4.058 0.000 -1.776) 4.429 2.742 ( 2.567 -0.000 -3.870) 4.645 2.802 ( 0.826 -0.000 -4.417) 4.493 2.833 ( -0.478 0.000 0.725) 0.868 2.888 ( 1.103 -0.000 1.681) 2.010 2.930 ( 2.892 -0.000 2.158) 3.609 3.228 ( -0.322 0.000 -4.563) 4.574 3.329 ( 1.872 -0.000 4.011) 4.426 3.405 ( -1.386 0.000 3.416) 3.687 3.447 ( 0.738 -0.000 1.803) 1.949 3.801 ( -2.581 0.000 -2.279) 3.444 3.880 ( 2.625 -0.000 1.168) 2.873 4.185 ( -1.417 0.000 0.830) 1.642 4.189 ( 1.411 -0.000 -3.249) 3.542 4.292 ( 0.142 -0.000 -1.139) 1.148 4.361 ( 1.675 -0.000 3.198) 3.610 4.472 ( 0.456 -0.000 0.870) 0.982 4.575 ( 1.508 -0.000 -1.768) 2.324 4.836 ( 0.212 -0.000 -0.585) 0.622 4.880 ( 1.863 -0.000 1.070) 2.149 4.921 ( -0.659 0.000 -2.354) 2.445 4.962 ( 0.442 -0.000 2.476) 2.515 5.171 ( -5.464 0.000 -0.551) 5.491 5.182 ( -1.028 0.000 1.983) 2.233 5.268 ( -4.812 0.000 2.508) 5.426 5.346 ( 1.125 -0.000 -1.453) 1.838 5.759 ( 1.805 -0.000 1.331) 2.243 5.832 ( 1.883 -0.000 -1.540) 2.433 5.906 ( -0.289 0.000 1.710) 1.734 6.024 ( 3.156 -0.000 -0.904) 3.283 6.082 ( 1.355 -0.000 0.738) 1.543 6.084 ( -0.829 0.000 -1.810) 1.991 6.236 ( -0.270 0.000 -2.002) 2.020 6.284 ( 0.417 -0.000 0.562) 0.700 6.392 ( 1.069 -0.000 2.210) 2.455 6.522 ( 3.063 -0.000 -1.699) 3.503 8.233 ( -0.913 0.000 -0.940) 1.311 8.313 ( -0.516 0.000 0.248) 0.573 8.737 ( 1.800 -0.000 1.435) 2.302 8.786 ( 4.682 -0.000 0.122) 4.683 9.080 ( -1.755 0.000 -0.562) 1.843 9.133 ( 0.140 -0.000 -0.608) 0.624 ======================= Grid point 124 (56/78) ======================= q-point: (-0.12 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.506 ( -10.433 -4.993 4.179) 12.298 0.548 ( -10.986 -4.859 4.841) 12.951 0.803 ( -4.148 -0.191 -1.844) 4.543 0.863 ( -4.400 -4.685 0.308) 6.435 0.927 ( -4.895 -6.629 2.122) 8.509 0.994 ( -2.725 -2.163 0.316) 3.493 1.098 ( -3.733 -0.283 1.735) 4.126 1.127 ( -2.615 -1.703 0.983) 3.272 1.155 ( -2.046 -0.364 -1.172) 2.386 1.255 ( -1.788 2.926 -3.593) 4.966 1.316 ( -1.276 -0.800 -1.749) 2.308 1.358 ( -0.977 0.158 2.241) 2.449 1.408 ( -2.174 0.068 1.122) 2.448 1.434 ( 0.345 -1.194 -0.560) 1.363 1.500 ( -0.259 0.558 1.383) 1.513 1.591 ( -3.662 -0.792 2.361) 4.429 1.650 ( -0.224 0.714 -0.095) 0.754 1.697 ( 1.233 -0.513 0.364) 1.384 1.757 ( -0.980 1.589 0.430) 1.916 1.876 ( -3.763 0.677 -1.138) 3.990 1.939 ( -3.897 -3.195 -1.693) 5.316 2.180 ( -8.250 -2.269 0.495) 8.570 2.220 ( -6.771 -1.922 -1.701) 7.241 2.433 ( -3.357 -0.554 -0.651) 3.464 2.468 ( -1.149 -1.833 -0.660) 2.261 2.760 ( 2.489 -0.564 -4.443) 5.124 2.818 ( 0.816 -1.417 1.387) 2.145 2.852 ( 0.790 -3.159 -3.597) 4.852 2.912 ( 1.581 -0.327 2.639) 3.093 2.988 ( 2.784 -1.642 3.117) 4.490 3.220 ( -0.645 -1.552 -4.455) 4.762 3.372 ( 1.198 -1.347 2.589) 3.155 3.410 ( -0.893 -1.072 2.945) 3.259 3.476 ( 0.000 -2.562 0.477) 2.606 3.761 ( -2.078 0.950 -1.538) 2.754 3.900 ( 1.972 0.794 0.289) 2.146 4.175 ( 1.376 2.041 -2.031) 3.191 4.189 ( -0.996 -1.207 0.611) 1.680 4.297 ( 0.111 -1.043 -1.279) 1.654 4.353 ( -0.378 2.958 2.719) 4.035 4.485 ( 1.573 0.169 0.741) 1.747 4.574 ( 1.818 1.204 -1.775) 2.812 4.838 ( -0.109 -0.390 -0.151) 0.433 4.884 ( 0.329 1.546 0.324) 1.614 4.913 ( 0.585 -0.326 -0.911) 1.131 4.974 ( 0.011 -0.099 1.361) 1.365 5.080 ( -4.651 2.971 -0.089) 5.520 5.184 ( -2.120 -0.979 1.336) 2.690 5.252 ( -4.046 -0.981 3.168) 5.231 5.351 ( 1.038 0.053 -1.371) 1.721 5.771 ( 1.177 1.249 1.659) 2.388 5.840 ( 1.345 0.438 -1.695) 2.207 5.918 ( 0.400 -0.659 1.878) 2.030 6.032 ( -0.465 0.118 -2.531) 2.576 6.048 ( 2.493 2.049 0.601) 3.283 6.128 ( 1.435 -1.359 0.044) 1.977 6.204 ( -1.250 1.348 -1.891) 2.637 6.298 ( -0.056 -0.579 0.418) 0.716 6.408 ( 1.338 0.447 1.421) 2.002 6.529 ( 2.576 1.723 -1.602) 3.489 8.220 ( -0.921 -0.483 -0.095) 1.044 8.347 ( -0.313 -3.671 -0.602) 3.733 8.750 ( 1.723 1.479 2.069) 3.072 8.828 ( 4.045 0.606 -0.811) 4.170 9.038 ( -1.399 2.251 0.087) 2.652 9.134 ( -0.631 -0.555 -0.906) 1.236 ======================= Grid point 132 (57/78) ======================= q-point: (-0.12 -0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.368 ( -10.715 0.000 9.377) 14.239 0.392 ( -13.708 0.000 6.530) 15.184 0.667 ( -16.627 0.000 13.993) 21.731 0.814 ( -0.510 0.000 -2.361) 2.415 0.829 ( -2.183 0.000 -0.985) 2.396 0.964 ( -1.246 0.000 0.621) 1.392 1.022 ( -3.269 0.000 1.240) 3.496 1.129 ( -0.907 0.000 -2.181) 2.362 1.133 ( -1.643 0.000 0.139) 1.649 1.236 ( -3.282 0.000 -3.742) 4.977 1.299 ( 1.060 -0.000 -3.695) 3.844 1.355 ( -1.794 0.000 3.217) 3.683 1.387 ( -4.518 0.000 3.344) 5.621 1.429 ( 0.849 -0.000 0.380) 0.931 1.506 ( -1.031 0.000 1.085) 1.496 1.560 ( -1.397 0.000 0.210) 1.413 1.655 ( 0.116 -0.000 1.022) 1.028 1.709 ( 0.930 -0.000 -0.936) 1.320 1.764 ( -1.235 0.000 -0.117) 1.241 1.846 ( -3.025 0.000 -0.457) 3.059 1.862 ( -2.529 0.000 -2.813) 3.783 2.083 ( -7.168 0.000 0.272) 7.174 2.136 ( -4.846 0.000 -0.800) 4.912 2.390 ( -2.869 0.000 -4.155) 5.049 2.471 ( 2.580 -0.000 5.050) 5.671 2.757 ( 2.255 -0.000 -5.924) 6.338 2.800 ( 1.460 -0.000 -2.168) 2.614 2.829 ( -0.555 0.000 1.626) 1.719 2.936 ( 1.477 -0.000 3.821) 4.097 3.009 ( 2.231 -0.000 2.369) 3.255 3.180 ( -0.366 0.000 -6.276) 6.286 3.376 ( 0.435 -0.000 0.755) 0.871 3.405 ( -1.296 0.000 3.823) 4.036 3.450 ( -0.992 0.000 0.180) 1.008 3.750 ( -0.824 0.000 -0.173) 0.842 3.922 ( 1.113 -0.000 -0.793) 1.367 4.169 ( -0.806 0.000 1.061) 1.333 4.206 ( 1.908 -0.000 -1.528) 2.444 4.282 ( -0.041 0.000 -1.194) 1.195 4.394 ( -0.263 0.000 1.511) 1.533 4.502 ( 1.734 -0.000 0.615) 1.840 4.592 ( 1.187 -0.000 -2.237) 2.532 4.830 ( -0.380 0.000 0.286) 0.476 4.902 ( -0.003 0.000 -1.156) 1.156 4.911 ( 0.397 -0.000 0.429) 0.585 4.981 ( 0.298 -0.000 0.776) 0.831 5.082 ( -3.180 0.000 0.030) 3.180 5.104 ( -6.262 0.000 -2.485) 6.737 5.276 ( 2.042 -0.000 6.013) 6.350 5.358 ( 0.981 -0.000 -0.982) 1.388 5.815 ( 2.351 -0.000 1.893) 3.019 5.847 ( 1.030 -0.000 -1.699) 1.987 5.916 ( -0.169 0.000 2.209) 2.215 6.009 ( -1.126 0.000 -1.758) 2.087 6.110 ( 0.913 -0.000 0.266) 0.950 6.115 ( 2.709 -0.000 -0.221) 2.718 6.197 ( -2.054 0.000 -3.019) 3.651 6.285 ( -0.556 0.000 -0.014) 0.556 6.430 ( 0.929 -0.000 2.114) 2.309 6.562 ( 2.029 -0.000 -2.009) 2.855 8.207 ( -1.046 0.000 -0.290) 1.086 8.298 ( -0.907 0.000 -0.125) 0.915 8.803 ( 3.293 -0.000 3.506) 4.810 8.867 ( 3.943 -0.000 -1.631) 4.267 9.050 ( -1.633 0.000 0.927) 1.878 9.108 ( -1.944 0.000 -2.960) 3.541 ======================= Grid point 133 (58/78) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.560 ( -1.335 0.000 -0.507) 1.428 0.560 ( 1.335 -0.000 0.507) 1.428 0.662 ( 0.725 -0.000 -1.267) 1.460 0.662 ( -0.725 0.000 1.267) 1.460 0.964 ( 0.816 -0.000 -0.724) 1.091 0.964 ( -0.816 0.000 0.724) 1.091 1.036 ( 0.973 -0.000 -9.125) 9.176 1.036 ( -0.973 0.000 9.125) 9.176 1.173 ( -0.386 0.000 -1.028) 1.098 1.173 ( 0.386 -0.000 1.028) 1.098 1.308 ( -1.648 0.000 -2.644) 3.116 1.308 ( 1.648 -0.000 2.644) 3.116 1.410 ( -1.016 0.000 -1.647) 1.935 1.410 ( 1.016 -0.000 1.647) 1.935 1.517 ( -0.344 0.000 -1.251) 1.298 1.517 ( 0.344 -0.000 1.251) 1.298 1.663 ( 0.483 -0.000 -1.146) 1.244 1.663 ( -0.483 0.000 1.146) 1.244 1.766 ( 1.165 -0.000 -0.929) 1.489 1.766 ( -1.165 0.000 0.929) 1.489 1.923 ( -1.238 0.000 -5.408) 5.548 1.923 ( 1.238 -0.000 5.408) 5.548 2.151 ( -2.853 0.000 -4.147) 5.034 2.151 ( 2.853 -0.000 4.147) 5.034 2.626 ( -0.142 0.000 -2.728) 2.732 2.626 ( 0.142 -0.000 2.728) 2.732 2.943 ( -2.040 0.000 0.070) 2.041 2.943 ( 2.040 -0.000 -0.070) 2.041 2.989 ( 1.903 -0.000 -2.138) 2.863 2.989 ( -1.903 0.000 2.138) 2.863 3.156 ( -3.377 0.000 -8.883) 9.503 3.156 ( 3.377 -0.000 8.883) 9.503 3.451 ( 0.816 -0.000 -0.717) 1.086 3.451 ( -0.816 0.000 0.717) 1.086 3.850 ( -1.406 0.000 -3.736) 3.992 3.850 ( 1.406 -0.000 3.736) 3.992 4.195 ( 0.631 -0.000 -1.748) 1.859 4.195 ( -0.631 0.000 1.748) 1.859 4.311 ( -3.459 0.000 -1.405) 3.733 4.311 ( 3.459 -0.000 1.405) 3.733 4.560 ( -0.987 0.000 -1.087) 1.468 4.560 ( 0.987 -0.000 1.087) 1.468 4.876 ( -1.465 0.000 -1.713) 2.255 4.876 ( 1.465 -0.000 1.713) 2.255 4.921 ( -2.244 0.000 -0.539) 2.308 4.921 ( 2.244 -0.000 0.539) 2.308 5.038 ( -0.580 0.000 -0.397) 0.703 5.038 ( 0.580 -0.000 0.397) 0.703 5.347 ( 1.313 -0.000 -1.507) 1.999 5.347 ( -1.313 0.000 1.507) 1.999 5.824 ( 1.128 -0.000 -1.191) 1.640 5.824 ( -1.128 0.000 1.191) 1.640 5.995 ( 0.567 -0.000 -3.322) 3.370 5.995 ( -0.567 0.000 3.322) 3.370 6.116 ( -0.144 0.000 -0.051) 0.152 6.116 ( 0.144 -0.000 0.051) 0.152 6.223 ( -2.553 0.000 -1.975) 3.227 6.223 ( 2.553 -0.000 1.975) 3.227 6.515 ( 0.570 -0.000 -3.136) 3.187 6.515 ( -0.570 0.000 3.136) 3.187 8.254 ( -1.168 0.000 -1.490) 1.893 8.254 ( 1.168 -0.000 1.490) 1.893 8.877 ( 2.711 -0.000 -1.915) 3.319 8.877 ( -2.711 0.000 1.915) 3.319 9.047 ( 1.901 -0.000 -1.175) 2.234 9.047 ( -1.901 0.000 1.175) 2.234 ======================= Grid point 135 (59/78) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.585 ( 2.189 -3.900 -7.449) 8.689 0.632 ( 3.704 -4.834 -2.786) 6.697 0.701 ( 2.699 -2.464 -1.879) 4.110 0.726 ( 2.335 -3.154 7.173) 8.176 0.976 ( -0.243 -0.668 -0.485) 0.861 0.990 ( 0.791 -1.106 0.828) 1.592 1.055 ( 0.095 -3.944 -5.032) 6.395 1.092 ( 0.878 -4.646 2.610) 5.401 1.177 ( 0.373 -0.462 -0.876) 1.059 1.185 ( 2.005 -2.066 -2.213) 3.631 1.286 ( -1.162 -0.082 -0.735) 1.377 1.319 ( 1.303 1.143 2.576) 3.105 1.405 ( 1.849 0.283 -1.722) 2.543 1.432 ( 2.228 0.425 2.144) 3.121 1.513 ( 0.432 -0.362 -1.934) 2.014 1.532 ( 1.293 -0.167 1.836) 2.252 1.667 ( -1.222 -0.555 0.653) 1.492 1.677 ( 0.387 -0.991 0.066) 1.066 1.748 ( -0.377 0.932 -0.742) 1.249 1.776 ( 1.380 0.357 1.829) 2.318 1.929 ( 1.592 -2.965 -5.559) 6.498 1.991 ( 4.067 -2.788 4.834) 6.905 2.153 ( -0.225 -3.595 -2.328) 4.288 2.227 ( 3.679 -2.671 4.964) 6.732 2.609 ( -2.285 -0.096 -3.413) 4.108 2.650 ( -0.288 -2.033 2.771) 3.449 2.891 ( -3.308 -0.295 -4.473) 5.571 2.945 ( -0.632 -0.592 -1.568) 1.791 3.009 ( 0.538 -0.705 1.624) 1.851 3.038 ( 1.735 -2.001 0.753) 2.754 3.122 ( -2.160 -3.158 -4.758) 6.105 3.237 ( 4.145 -1.123 8.423) 9.455 3.453 ( -1.033 -1.141 0.930) 1.799 3.462 ( 0.537 -1.010 -1.023) 1.534 3.815 ( -1.799 0.654 -3.716) 4.181 3.869 ( 1.051 0.611 2.882) 3.128 4.191 ( -1.267 0.722 0.255) 1.480 4.204 ( 0.784 -0.748 -1.097) 1.542 4.266 ( -1.953 0.612 0.265) 2.064 4.327 ( 3.046 2.447 1.213) 4.090 4.541 ( -1.367 0.346 -1.010) 1.734 4.565 ( -0.250 0.438 0.815) 0.959 4.860 ( -1.539 -0.582 -0.782) 1.822 4.886 ( -0.140 0.644 0.621) 0.906 4.907 ( -0.496 -0.158 0.240) 0.573 4.948 ( 3.635 0.805 0.410) 3.745 5.031 ( -0.564 0.260 -0.241) 0.666 5.079 ( 4.146 -2.429 0.379) 4.820 5.328 ( -1.626 1.114 2.108) 2.886 5.340 ( 0.999 1.209 -2.255) 2.747 5.812 ( -1.009 0.583 1.183) 1.660 5.820 ( 0.210 1.036 -0.544) 1.189 5.984 ( -0.357 0.363 -2.059) 2.122 5.998 ( -0.466 -0.120 1.302) 1.388 6.105 ( -0.937 0.604 -0.314) 1.158 6.122 ( 0.283 -0.346 0.946) 1.047 6.193 ( -2.063 -0.163 -2.219) 3.034 6.257 ( 2.206 -0.287 1.566) 2.721 6.490 ( -0.486 1.694 -2.596) 3.137 6.504 ( -1.044 1.343 2.479) 3.007 8.254 ( -1.153 -1.715 -1.517) 2.564 8.295 ( 1.786 -2.527 1.065) 3.273 8.818 ( -3.716 3.175 1.820) 5.215 8.863 ( 0.877 2.443 -1.405) 2.952 9.038 ( -1.448 -0.120 0.314) 1.487 9.086 ( 2.666 -1.566 -0.461) 3.126 ======================= Grid point 136 (60/78) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( 2.461 -3.933 -6.226) 7.765 0.719 ( 3.594 -2.672 -2.868) 5.317 0.784 ( 3.912 -3.469 -1.858) 5.549 0.833 ( 4.858 -2.403 3.344) 6.368 0.978 ( -0.771 0.271 3.619) 3.710 1.013 ( 1.100 -0.936 -0.674) 1.594 1.084 ( -0.863 -1.131 -2.104) 2.540 1.146 ( 0.108 -0.669 -0.796) 1.045 1.207 ( -0.313 -3.461 -0.235) 3.483 1.259 ( -0.120 -2.011 0.327) 2.041 1.278 ( 0.070 -0.918 0.018) 0.921 1.363 ( 3.478 -2.247 -0.084) 4.142 1.423 ( 1.570 -1.530 -2.687) 3.468 1.447 ( 1.186 0.157 2.456) 2.732 1.522 ( 0.650 -0.463 -1.521) 1.718 1.555 ( 0.206 -0.227 1.473) 1.505 1.658 ( -0.861 -0.141 -0.574) 1.044 1.697 ( -0.108 -1.083 1.850) 2.147 1.742 ( 0.476 0.025 -0.005) 0.476 1.795 ( 2.149 -0.235 1.146) 2.447 2.013 ( 4.558 -5.542 -5.405) 8.984 2.127 ( 6.285 -4.945 3.816) 8.861 2.234 ( 2.149 -4.705 -1.094) 5.287 2.330 ( 3.203 -3.026 4.202) 6.089 2.565 ( -2.174 -0.066 -4.189) 4.720 2.708 ( -0.025 -3.503 3.239) 4.771 2.868 ( -2.156 -0.912 -1.842) 2.979 2.938 ( -1.798 0.199 -0.786) 1.972 3.004 ( -0.107 -0.418 -3.122) 3.152 3.085 ( 0.040 -1.615 -0.591) 1.721 3.182 ( 0.107 -4.496 0.921) 4.591 3.325 ( 3.747 -1.117 5.645) 6.867 3.481 ( -1.107 -3.610 0.320) 3.790 3.507 ( 0.389 -4.467 0.488) 4.510 3.770 ( -1.717 0.917 -2.900) 3.493 3.870 ( 0.480 1.162 1.746) 2.151 4.128 ( -1.901 3.875 -1.184) 4.476 4.220 ( 1.624 0.269 -0.536) 1.731 4.273 ( -0.232 -1.171 1.823) 2.179 4.314 ( 2.110 1.577 0.013) 2.634 4.512 ( -1.313 1.117 -0.940) 1.963 4.541 ( -1.785 1.496 0.679) 2.426 4.853 ( -1.378 0.442 0.271) 1.472 4.862 ( -0.557 0.776 -0.749) 1.214 4.912 ( -0.023 -0.358 0.770) 0.849 4.972 ( 3.161 0.326 0.170) 3.182 5.022 ( -0.290 0.059 -0.138) 0.326 5.185 ( 5.613 -3.279 0.279) 6.506 5.299 ( -0.951 1.143 0.946) 1.762 5.324 ( 1.061 0.748 -1.709) 2.146 5.790 ( -0.746 1.601 -0.944) 2.003 5.795 ( -0.843 0.913 1.278) 1.782 5.962 ( -0.474 0.844 -1.385) 1.690 5.999 ( -0.491 0.175 1.114) 1.230 6.076 ( -2.193 0.635 -0.830) 2.429 6.134 ( -0.028 -0.327 0.918) 0.975 6.177 ( -0.584 -0.407 -1.458) 1.622 6.282 ( 1.347 0.085 1.447) 1.978 6.436 ( -1.210 2.569 -1.683) 3.300 6.476 ( -0.953 1.402 1.430) 2.218 8.269 ( -1.118 -1.907 -1.197) 2.514 8.369 ( 2.077 -3.247 0.886) 3.954 8.734 ( -2.945 3.298 1.582) 4.696 8.819 ( 0.658 2.714 -1.359) 3.106 9.023 ( -1.800 -0.027 0.028) 1.800 9.129 ( 1.685 -1.100 -0.077) 2.014 ======================= Grid point 137 (61/78) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( 1.439 -3.277 -2.874) 4.590 0.772 ( 2.145 -0.587 1.029) 2.450 0.848 ( 1.805 -1.133 -1.728) 2.743 0.907 ( 2.400 -1.329 0.369) 2.768 0.989 ( 0.919 -0.474 0.268) 1.069 1.031 ( 0.289 0.514 0.901) 1.077 1.090 ( 0.710 -1.473 -0.744) 1.797 1.137 ( -0.305 0.396 -0.803) 0.946 1.241 ( -1.113 0.547 0.310) 1.279 1.273 ( 0.299 -0.472 -0.507) 0.754 1.300 ( 0.617 -1.986 0.777) 2.220 1.395 ( 2.207 0.511 -2.124) 3.106 1.461 ( -0.137 -0.373 1.094) 1.164 1.471 ( -0.375 -1.494 0.918) 1.793 1.531 ( 0.919 -0.642 0.030) 1.121 1.565 ( -0.463 -1.842 -0.812) 2.066 1.653 ( -0.394 -0.003 -0.399) 0.560 1.714 ( -0.293 0.047 1.609) 1.636 1.732 ( -0.717 1.089 1.047) 1.672 1.851 ( 2.464 -2.730 -0.499) 3.712 2.132 ( 4.193 -4.168 -3.671) 6.959 2.279 ( 4.339 -4.254 1.058) 6.168 2.318 ( 2.539 -3.301 -1.371) 4.384 2.398 ( 0.470 -1.035 3.688) 3.859 2.572 ( 1.543 -2.081 -1.166) 2.841 2.767 ( -0.294 -1.798 1.039) 2.097 2.870 ( -0.679 -1.838 2.065) 2.847 2.898 ( -1.542 1.247 -0.626) 2.080 3.008 ( -0.089 -0.457 -3.038) 3.073 3.079 ( -1.741 0.131 -2.217) 2.822 3.245 ( 0.630 -1.647 1.675) 2.432 3.380 ( 2.693 -0.201 2.085) 3.411 3.554 ( -1.633 -5.486 0.584) 5.754 3.610 ( 0.453 -5.640 1.629) 5.888 3.740 ( -0.609 -0.238 -1.767) 1.884 3.851 ( -0.022 2.076 0.579) 2.155 4.040 ( -0.895 3.828 -1.180) 4.104 4.210 ( 1.533 2.415 0.308) 2.877 4.296 ( 0.064 -1.221 0.585) 1.356 4.335 ( 1.692 -1.268 -0.075) 2.116 4.473 ( -1.788 1.401 -0.560) 2.340 4.494 ( -1.559 1.884 0.379) 2.475 4.821 ( -0.710 1.260 -0.020) 1.446 4.852 ( -0.597 0.118 -0.140) 0.625 4.921 ( 0.070 -0.375 0.368) 0.530 4.996 ( 1.571 -0.124 0.033) 1.576 5.024 ( 0.464 -0.163 -0.020) 0.492 5.249 ( 0.330 -0.188 -0.747) 0.838 5.294 ( 0.256 -0.049 0.823) 0.863 5.345 ( 4.022 -1.451 -0.650) 4.325 5.748 ( -1.387 1.663 -0.338) 2.192 5.779 ( -0.281 0.619 0.477) 0.831 5.939 ( -0.439 0.868 -0.714) 1.206 5.988 ( -1.170 0.402 0.940) 1.554 6.044 ( -1.270 0.382 -0.898) 1.601 6.139 ( -0.110 -0.134 0.371) 0.410 6.180 ( 0.072 -0.416 -0.553) 0.695 6.292 ( 0.537 0.302 1.124) 1.282 6.380 ( -0.967 1.929 -1.009) 2.382 6.456 ( -0.484 0.544 0.597) 0.942 8.283 ( -0.679 -1.169 -0.675) 1.511 8.439 ( 1.604 -2.273 0.456) 2.819 8.668 ( -1.808 2.214 1.197) 3.099 8.783 ( 0.587 1.742 -1.001) 2.093 9.006 ( -1.447 -0.008 -0.025) 1.447 9.155 ( 0.714 -0.606 -0.001) 0.936 ======================= Grid point 138 (62/78) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.752 ( -0.000 0.000 0.000) 0.000 0.791 ( -0.000 0.000 0.000) 0.000 0.858 ( -0.000 0.000 0.000) 0.000 0.930 ( -0.000 0.000 0.000) 0.000 0.994 ( -0.000 0.000 0.000) 0.000 1.032 ( -0.000 0.000 0.000) 0.000 1.107 ( -0.000 0.000 -0.000) 0.000 1.142 ( -0.000 0.000 0.000) 0.000 1.211 ( -0.000 0.000 0.000) 0.000 1.280 ( -0.000 0.000 -0.000) 0.000 1.325 ( -0.000 0.000 0.000) 0.000 1.401 ( -0.000 0.000 0.000) 0.000 1.459 ( -0.000 0.000 0.000) 0.000 1.475 ( -0.000 0.000 0.000) 0.000 1.555 ( -0.000 0.000 0.000) 0.000 1.582 ( -0.000 0.000 0.000) 0.000 1.649 ( -0.000 0.000 0.000) 0.000 1.704 ( -0.000 0.000 0.000) 0.000 1.723 ( -0.000 0.000 -0.000) 0.000 1.891 ( -0.000 0.000 0.000) 0.000 2.182 ( -0.000 0.000 0.000) 0.000 2.328 ( -0.000 0.000 0.000) 0.000 2.374 ( -0.000 0.000 -0.000) 0.000 2.415 ( -0.000 0.000 0.000) 0.000 2.604 ( -0.000 0.000 0.000) 0.000 2.775 ( -0.000 0.000 0.000) 0.000 2.874 ( -0.000 0.000 0.000) 0.000 2.913 ( -0.000 0.000 -0.000) 0.000 2.991 ( -0.000 0.000 0.000) 0.000 3.060 ( -0.000 0.000 0.000) 0.000 3.264 ( -0.000 0.000 0.000) 0.000 3.401 ( -0.000 0.000 0.000) 0.000 3.598 ( -0.000 0.000 0.000) 0.000 3.663 ( -0.000 0.000 0.000) 0.000 3.762 ( -0.000 0.000 0.000) 0.000 3.814 ( -0.000 0.000 0.000) 0.000 3.998 ( -0.000 0.000 0.000) 0.000 4.194 ( -0.000 0.000 0.000) 0.000 4.310 ( -0.000 0.000 0.000) 0.000 4.363 ( -0.000 0.000 -0.000) 0.000 4.441 ( -0.000 0.000 0.000) 0.000 4.469 ( -0.000 0.000 0.000) 0.000 4.806 ( -0.000 0.000 0.000) 0.000 4.847 ( -0.000 0.000 0.000) 0.000 4.926 ( -0.000 0.000 0.000) 0.000 5.005 ( -0.000 0.000 0.000) 0.000 5.029 ( -0.000 0.000 0.000) 0.000 5.246 ( -0.000 0.000 0.000) 0.000 5.295 ( -0.000 0.000 0.000) 0.000 5.389 ( -0.000 0.000 0.000) 0.000 5.722 ( -0.000 0.000 0.000) 0.000 5.774 ( -0.000 0.000 0.000) 0.000 5.926 ( -0.000 0.000 0.000) 0.000 5.979 ( -0.000 0.000 0.000) 0.000 6.034 ( -0.000 0.000 0.000) 0.000 6.140 ( -0.000 0.000 0.000) 0.000 6.183 ( -0.000 0.000 0.000) 0.000 6.294 ( -0.000 0.000 -0.000) 0.000 6.355 ( -0.000 0.000 0.000) 0.000 6.450 ( -0.000 0.000 0.000) 0.000 8.288 ( -0.000 0.000 0.000) 0.000 8.469 ( -0.000 0.000 0.000) 0.000 8.641 ( -0.000 0.000 0.000) 0.000 8.769 ( -0.000 0.000 0.000) 0.000 8.998 ( -0.000 0.000 -0.000) 0.000 9.164 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 144 (63/78) ======================= q-point: ( 0.12 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( 5.469 -0.000 -6.734) 8.675 0.595 ( 5.780 -0.000 -9.966) 11.521 0.704 ( 2.401 -0.000 3.740) 4.444 0.762 ( 6.578 -0.000 4.843) 8.168 0.958 ( -0.246 0.000 -5.628) 5.633 0.977 ( 1.383 -0.000 0.059) 1.384 1.035 ( 4.686 -0.000 -2.809) 5.463 1.095 ( 2.910 -0.000 4.158) 5.075 1.168 ( 0.789 -0.000 -2.560) 2.679 1.209 ( 2.971 -0.000 -0.934) 3.114 1.257 ( -1.145 0.000 -1.454) 1.851 1.354 ( 1.089 -0.000 2.403) 2.638 1.425 ( 1.415 -0.000 -0.682) 1.570 1.471 ( 2.243 -0.000 0.246) 2.256 1.511 ( 1.091 -0.000 -0.515) 1.206 1.564 ( 5.090 -0.000 0.152) 5.092 1.650 ( -2.074 0.000 1.023) 2.312 1.674 ( 0.494 -0.000 0.696) 0.853 1.757 ( -0.236 0.000 0.872) 0.903 1.800 ( 2.145 -0.000 2.245) 3.105 1.909 ( 4.230 -0.000 -6.517) 7.770 2.038 ( 6.500 -0.000 4.780) 8.068 2.127 ( 2.885 -0.000 -0.196) 2.892 2.266 ( 4.486 -0.000 5.618) 7.189 2.576 ( -2.259 0.000 -4.149) 4.724 2.627 ( -2.069 0.000 3.620) 4.170 2.828 ( -3.981 0.000 -4.466) 5.982 2.920 ( 0.428 -0.000 -5.209) 5.226 3.023 ( -0.514 0.000 0.842) 0.986 3.031 ( 0.306 -0.000 0.178) 0.354 3.061 ( -0.675 0.000 -0.909) 1.133 3.306 ( 4.433 -0.000 7.670) 8.859 3.437 ( -0.988 0.000 1.070) 1.456 3.456 ( 0.237 -0.000 -0.944) 0.973 3.790 ( -1.530 0.000 -3.532) 3.849 3.891 ( 0.401 -0.000 2.224) 2.259 4.186 ( -1.586 0.000 0.620) 1.703 4.197 ( 0.981 -0.000 -1.647) 1.917 4.256 ( -1.241 0.000 0.810) 1.482 4.385 ( 2.289 -0.000 1.554) 2.767 4.527 ( -1.006 0.000 -1.644) 1.928 4.561 ( -1.733 0.000 1.135) 2.072 4.840 ( -0.828 0.000 -0.402) 0.921 4.895 ( -0.730 0.000 -0.620) 0.958 4.898 ( -0.152 0.000 1.347) 1.355 4.992 ( 2.017 -0.000 0.027) 2.017 5.073 ( 5.488 -0.000 0.701) 5.533 5.078 ( 3.050 -0.000 0.347) 3.069 5.328 ( -1.654 0.000 1.896) 2.517 5.348 ( -0.053 0.000 -2.015) 2.016 5.810 ( -1.376 0.000 1.790) 2.257 5.828 ( -0.687 0.000 -0.246) 0.730 5.975 ( 0.077 -0.000 -3.221) 3.222 5.990 ( -1.155 0.000 1.349) 1.776 6.107 ( -1.689 0.000 0.684) 1.822 6.113 ( -0.503 0.000 0.003) 0.503 6.176 ( 0.077 -0.000 -1.184) 1.187 6.275 ( 1.336 -0.000 0.798) 1.556 6.489 ( -0.686 0.000 -3.138) 3.212 6.508 ( -2.234 0.000 2.933) 3.687 8.229 ( 0.103 -0.000 -1.731) 1.734 8.288 ( 1.202 -0.000 0.810) 1.450 8.820 ( -3.880 0.000 2.552) 4.644 8.850 ( -3.877 0.000 -1.372) 4.113 9.068 ( 2.775 -0.000 1.124) 2.994 9.079 ( 1.650 -0.000 -1.617) 2.310 ======================= Grid point 145 (64/78) ======================= q-point: ( 0.25 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( 6.255 -2.357 -6.245) 9.147 0.690 ( 5.532 -4.834 -6.531) 9.829 0.771 ( 4.628 -2.300 0.631) 5.206 0.855 ( 4.772 -1.716 1.779) 5.374 0.970 ( 1.123 -2.774 -1.062) 3.176 1.006 ( 0.934 -1.684 -0.905) 2.128 1.069 ( 1.820 1.883 1.749) 3.149 1.145 ( 1.885 -2.316 2.300) 3.769 1.171 ( -0.433 -0.197 0.031) 0.477 1.238 ( 4.812 -0.929 -1.619) 5.161 1.281 ( 2.616 -1.281 -1.396) 3.230 1.364 ( 1.672 0.129 0.979) 1.941 1.426 ( 0.399 0.272 -0.873) 0.998 1.474 ( 0.976 0.123 -2.147) 2.361 1.523 ( 1.571 0.663 -0.465) 1.768 1.597 ( 1.478 2.145 1.730) 3.127 1.646 ( 0.351 -0.743 0.822) 1.162 1.694 ( 2.039 -0.683 0.078) 2.152 1.754 ( 1.280 0.438 -0.095) 1.356 1.829 ( 1.817 0.667 3.723) 4.196 1.967 ( 6.265 -3.326 -5.676) 9.085 2.148 ( 8.021 -2.428 3.607) 9.124 2.204 ( 5.406 -2.858 0.621) 6.146 2.345 ( 4.118 -1.539 4.820) 6.524 2.536 ( -0.876 0.030 -4.259) 4.349 2.649 ( -1.758 -3.352 3.549) 5.189 2.804 ( -2.600 -2.135 -1.649) 3.747 2.910 ( -0.049 -0.334 -4.167) 4.180 2.988 ( -2.003 0.309 -3.945) 4.435 3.044 ( -1.188 -1.763 -1.409) 2.550 3.119 ( 1.379 -4.155 4.039) 5.956 3.366 ( 2.337 -0.587 3.830) 4.524 3.442 ( -0.566 -0.516 1.413) 1.607 3.464 ( 0.476 -1.589 0.097) 1.662 3.762 ( -0.707 0.680 -1.957) 2.189 3.892 ( -0.260 0.677 1.034) 1.263 4.155 ( -1.862 1.785 -0.377) 2.606 4.213 ( 1.208 -1.146 -1.449) 2.207 4.261 ( -0.083 -0.807 1.908) 2.073 4.379 ( 1.086 2.666 0.289) 2.893 4.510 ( -0.935 0.440 -1.508) 1.828 4.540 ( -2.165 0.641 1.225) 2.569 4.837 ( -0.793 -0.364 0.108) 0.879 4.878 ( -0.387 0.987 0.019) 1.060 4.901 ( -0.908 -0.442 0.675) 1.215 4.997 ( 0.924 0.582 -0.576) 1.235 5.073 ( 4.554 2.544 0.405) 5.232 5.186 ( 5.176 -3.155 0.544) 6.086 5.311 ( -1.204 0.897 1.319) 1.999 5.335 ( 0.561 0.315 -2.322) 2.410 5.799 ( -1.566 0.696 0.836) 1.907 5.803 ( -1.385 0.862 0.029) 1.632 5.962 ( -0.342 0.273 -1.998) 2.045 5.993 ( -0.533 -0.480 1.188) 1.388 6.064 ( -2.438 1.432 -0.818) 2.943 6.124 ( -0.645 -0.988 0.387) 1.242 6.177 ( 1.003 0.425 0.051) 1.090 6.291 ( 0.412 -0.511 0.765) 1.008 6.455 ( -0.939 1.675 -2.422) 3.091 6.484 ( -2.527 0.944 2.188) 3.474 8.235 ( 0.375 -0.964 -1.237) 1.612 8.331 ( 0.976 -3.163 0.759) 3.396 8.759 ( -3.340 2.608 1.354) 4.449 8.816 ( -3.829 -0.402 -0.134) 3.852 9.049 ( 1.795 2.580 -0.727) 3.226 9.123 ( 1.411 -1.326 -0.096) 1.938 ======================= Grid point 146 (65/78) ======================= q-point: ( 0.38 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( 5.468 -1.612 -3.004) 6.444 0.777 ( 3.469 -2.420 -3.523) 5.504 0.849 ( 3.999 -1.051 -0.418) 4.156 0.929 ( 2.427 -2.029 1.300) 3.420 0.992 ( -0.032 1.646 1.277) 2.083 1.041 ( 1.899 -1.282 0.896) 2.460 1.077 ( 0.319 -1.101 -0.358) 1.201 1.151 ( 0.167 1.170 1.673) 2.048 1.224 ( 1.248 -3.152 -0.616) 3.445 1.279 ( 1.682 0.463 -0.592) 1.842 1.313 ( 4.077 0.807 0.590) 4.197 1.405 ( 1.186 -1.524 -2.412) 3.090 1.430 ( 0.428 -0.899 1.204) 1.563 1.481 ( 0.311 -0.666 -0.335) 0.807 1.527 ( 1.249 -1.040 -1.902) 2.502 1.562 ( -0.045 2.645 2.121) 3.391 1.667 ( 1.814 0.206 0.762) 1.979 1.709 ( -0.153 -0.089 -0.661) 0.684 1.771 ( 3.113 1.739 0.939) 3.687 1.849 ( 2.657 -0.264 1.321) 2.979 2.088 ( 6.068 -4.885 -4.333) 8.914 2.273 ( 4.333 -1.975 1.559) 5.011 2.302 ( 5.490 -3.091 0.409) 6.314 2.410 ( 1.723 -0.569 4.163) 4.541 2.559 ( 3.396 -2.035 -1.535) 4.246 2.717 ( -0.746 -4.091 1.894) 4.569 2.818 ( -2.247 -2.473 1.169) 3.540 2.886 ( -1.928 0.122 -2.226) 2.948 2.980 ( 0.320 -1.729 -3.617) 4.022 3.040 ( -2.187 -0.826 -3.090) 3.875 3.219 ( 1.275 -3.677 2.777) 4.781 3.403 ( 0.546 -0.704 1.291) 1.569 3.456 ( -1.395 -3.206 0.159) 3.500 3.533 ( 1.195 -4.886 1.553) 5.265 3.743 ( 0.627 1.009 -0.172) 1.200 3.872 ( -0.805 1.160 -0.160) 1.421 4.094 ( -0.711 3.387 -0.411) 3.485 4.239 ( 0.840 -0.456 -0.804) 1.249 4.282 ( -0.291 -0.846 1.395) 1.657 4.346 ( 0.795 1.301 -0.585) 1.633 4.476 ( -1.683 1.382 -0.529) 2.241 4.510 ( -0.951 1.450 0.536) 1.815 4.829 ( -1.172 0.374 0.527) 1.338 4.860 ( 0.401 0.988 0.010) 1.067 4.904 ( -1.041 -0.910 0.273) 1.409 4.990 ( -0.229 0.412 -0.418) 0.630 5.084 ( 4.822 2.084 0.095) 5.254 5.246 ( 0.601 -0.378 -0.938) 1.177 5.298 ( -0.313 0.285 0.599) 0.733 5.356 ( 3.205 -1.331 -0.699) 3.540 5.757 ( -1.792 1.426 -0.588) 2.365 5.788 ( -0.820 0.545 1.154) 1.517 5.941 ( -1.426 0.757 -0.775) 1.791 5.984 ( -1.273 0.375 0.328) 1.367 6.036 ( -0.066 0.012 -0.676) 0.680 6.130 ( -0.716 -0.546 0.137) 0.911 6.183 ( 1.054 0.178 0.351) 1.125 6.300 ( -0.239 -0.058 0.704) 0.746 6.405 ( -0.766 2.291 -1.049) 2.633 6.453 ( -2.001 0.489 0.792) 2.207 8.258 ( 0.694 -1.408 -0.739) 1.735 8.400 ( 0.264 -3.575 0.600) 3.634 8.693 ( -2.217 2.395 1.324) 3.522 8.782 ( -3.200 0.157 -0.070) 3.204 9.025 ( 1.867 1.952 -0.880) 2.841 9.147 ( 0.294 -0.740 -0.213) 0.824 ======================= Grid point 147 (66/78) ======================= q-point: ( 0.50 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( 3.605 -0.284 -1.166) 3.799 0.814 ( 1.409 0.114 -0.064) 1.415 0.873 ( 1.325 1.204 0.860) 1.986 0.946 ( 0.685 1.128 1.314) 1.863 0.999 ( -0.987 -0.924 0.902) 1.625 1.043 ( 1.149 2.046 -0.739) 2.461 1.105 ( 1.688 -1.290 -0.499) 2.182 1.149 ( -0.007 0.400 1.958) 1.999 1.263 ( 3.390 2.523 -0.946) 4.330 1.275 ( 1.272 -1.130 -1.433) 2.224 1.317 ( -0.090 1.063 -1.395) 1.756 1.410 ( 0.072 -0.043 -0.671) 0.677 1.451 ( -0.210 -0.486 1.463) 1.556 1.508 ( 1.717 0.786 1.712) 2.549 1.542 ( -0.579 -0.902 1.786) 2.083 1.565 ( 1.180 -1.696 -1.769) 2.720 1.677 ( 1.445 0.775 0.840) 1.842 1.705 ( 0.659 -0.022 -2.153) 2.252 1.755 ( 2.531 3.166 1.803) 4.436 1.892 ( 1.963 -0.577 -0.145) 2.051 2.177 ( 2.279 -1.367 -1.736) 3.174 2.332 ( 1.914 -0.950 1.664) 2.708 2.378 ( 1.788 -0.720 0.207) 1.938 2.431 ( 0.434 1.187 1.940) 2.316 2.612 ( 1.998 -0.477 0.092) 2.056 2.753 ( -0.695 -1.616 -1.829) 2.538 2.845 ( -2.423 -1.969 1.691) 3.551 2.892 ( -0.416 -2.398 -0.057) 2.434 2.986 ( -0.286 -0.067 -1.366) 1.398 3.037 ( 0.509 -2.038 -2.798) 3.499 3.266 ( 0.638 -0.365 0.518) 0.899 3.396 ( -2.255 0.535 0.290) 2.335 3.540 ( 0.612 -5.983 0.183) 6.017 3.643 ( 0.842 -5.624 1.075) 5.787 3.737 ( 0.938 0.745 0.344) 1.246 3.838 ( -0.998 1.707 -0.944) 2.191 4.037 ( 0.903 3.284 0.418) 3.432 4.212 ( -1.222 2.484 -0.577) 2.828 4.302 ( 0.239 -1.119 0.167) 1.157 4.351 ( -0.681 -0.819 -0.084) 1.069 4.446 ( 0.280 0.565 0.082) 0.635 4.481 ( -0.062 1.310 -0.036) 1.312 4.814 ( -0.054 0.571 0.493) 0.757 4.852 ( 0.431 0.418 0.080) 0.606 4.911 ( -0.956 -0.942 -0.074) 1.344 4.977 ( -1.664 -0.070 -0.072) 1.667 5.092 ( 4.348 2.527 -0.151) 5.032 5.245 ( 0.107 -0.065 -0.406) 0.425 5.292 ( -0.493 0.018 -0.149) 0.516 5.388 ( -0.511 0.213 -0.031) 0.555 5.724 ( -0.480 0.544 -0.078) 0.730 5.776 ( -0.628 0.361 0.420) 0.838 5.919 ( -0.994 -0.176 0.436) 1.100 5.977 ( 0.260 -0.252 -1.321) 1.370 6.039 ( 0.769 0.136 0.544) 0.952 6.131 ( -0.711 -0.500 -0.303) 0.920 6.192 ( 1.022 0.256 0.666) 1.246 6.294 ( -0.509 0.339 -0.325) 0.693 6.367 ( -0.123 1.246 0.481) 1.341 6.438 ( -1.305 -0.484 -0.205) 1.407 8.287 ( 1.350 -0.933 -0.195) 1.652 8.446 ( -1.217 -2.001 0.065) 2.343 8.651 ( -0.617 1.228 0.991) 1.695 8.751 ( -2.859 -0.165 0.120) 2.866 9.020 ( 2.660 0.921 -0.687) 2.897 9.155 ( -0.596 -0.513 -0.232) 0.820 ======================= Grid point 148 (67/78) ======================= q-point: (-0.38 0.12 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( 2.222 1.588 -0.858) 2.863 0.799 ( 0.676 3.131 1.161) 3.407 0.857 ( -0.842 1.163 0.837) 1.663 0.930 ( -1.447 2.677 0.894) 3.172 0.980 ( -1.116 0.105 0.656) 1.299 1.024 ( 0.197 0.672 -1.893) 2.018 1.120 ( -0.587 1.480 1.010) 1.886 1.151 ( 2.214 0.323 1.920) 2.949 1.257 ( 1.752 0.926 -1.126) 2.279 1.285 ( -0.242 0.641 -1.385) 1.545 1.303 ( 1.198 -0.455 -0.612) 1.420 1.404 ( 0.280 1.027 1.107) 1.535 1.458 ( 0.543 0.152 -1.192) 1.318 1.493 ( -2.005 0.891 2.583) 3.389 1.559 ( 1.892 1.339 0.952) 2.506 1.587 ( 0.844 -0.307 -0.566) 1.061 1.678 ( 0.996 0.752 0.075) 1.250 1.709 ( 0.731 -0.082 -1.555) 1.720 1.746 ( 3.347 1.787 0.073) 3.794 1.880 ( -1.364 2.630 0.241) 2.972 2.169 ( -1.176 2.609 1.996) 3.489 2.304 ( -4.228 3.782 -1.439) 5.853 2.370 ( -0.139 3.357 3.645) 4.958 2.410 ( 1.110 1.427 -2.285) 2.914 2.605 ( 0.081 1.827 1.673) 2.479 2.766 ( -0.913 -0.984 -3.191) 3.461 2.858 ( -0.802 -1.551 0.189) 1.756 2.898 ( -0.107 -0.265 -0.994) 1.035 3.015 ( 1.108 -1.539 2.280) 2.966 3.075 ( 0.658 -1.937 -1.028) 2.290 3.262 ( 0.711 1.177 -1.005) 1.704 3.354 ( -3.373 0.818 -0.502) 3.506 3.622 ( 2.322 -0.713 -0.510) 2.482 3.683 ( 0.679 2.791 0.531) 2.921 3.759 ( -0.129 -1.019 0.515) 1.149 3.801 ( -0.774 -1.025 -0.932) 1.587 4.021 ( 1.818 0.041 1.486) 2.348 4.161 ( -2.772 0.194 -1.018) 2.959 4.311 ( 0.215 0.443 -0.182) 0.525 4.339 ( -1.441 0.763 0.126) 1.635 4.468 ( 1.473 -1.307 0.289) 1.990 4.478 ( 0.860 -0.962 -0.231) 1.311 4.817 ( 1.038 -0.240 0.499) 1.176 4.858 ( 0.905 -0.280 0.023) 0.948 4.912 ( -1.010 -0.395 -0.427) 1.165 4.958 ( -2.850 -0.314 0.066) 2.868 5.085 ( 4.029 3.076 -0.112) 5.071 5.249 ( -0.396 -0.064 0.599) 0.721 5.286 ( -0.522 -0.054 -1.114) 1.231 5.334 ( -4.336 2.107 0.553) 4.853 5.735 ( 0.976 -1.241 0.187) 1.590 5.770 ( -0.405 -0.376 -0.122) 0.566 5.931 ( 0.484 -0.921 1.222) 1.605 5.983 ( 0.391 -0.576 -1.874) 1.999 6.055 ( 1.639 -0.408 1.022) 1.974 6.131 ( -0.802 -0.513 -0.670) 1.164 6.198 ( 1.102 0.660 1.224) 1.774 6.278 ( -0.958 0.261 -1.439) 1.748 6.371 ( 0.961 -0.789 1.392) 1.867 6.438 ( -0.936 -0.956 -0.764) 1.541 8.311 ( 2.047 0.201 0.419) 2.099 8.438 ( -2.733 0.376 -0.385) 2.785 8.654 ( 1.269 -0.952 -0.127) 1.591 8.737 ( -2.787 -1.450 0.679) 3.215 9.039 ( 3.437 0.470 -0.326) 3.484 9.149 ( -1.416 -0.017 -0.194) 1.430 ======================= Grid point 149 (68/78) ======================= q-point: (-0.25 0.12 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( 1.197 4.315 2.499) 5.128 0.751 ( 1.219 2.924 -1.032) 3.331 0.813 ( -2.700 3.148 1.773) 4.510 0.841 ( -3.709 4.025 -0.562) 5.502 0.977 ( 1.030 0.273 -1.530) 1.865 1.007 ( -1.801 0.084 -0.484) 1.867 1.113 ( 2.792 0.660 1.072) 3.063 1.162 ( -0.631 0.480 1.174) 1.416 1.252 ( -0.463 0.146 -1.149) 1.248 1.254 ( -0.762 0.223 0.012) 0.794 1.336 ( 4.003 1.545 0.421) 4.312 1.383 ( -0.150 2.678 1.407) 3.029 1.437 ( -0.514 1.439 -2.536) 2.961 1.455 ( -3.180 1.485 1.507) 3.820 1.549 ( 2.365 2.590 1.439) 3.791 1.586 ( 0.516 1.927 -0.643) 2.096 1.673 ( 0.733 0.609 0.855) 1.280 1.702 ( -0.768 -0.015 -1.733) 1.896 1.751 ( 2.881 1.269 -2.473) 4.003 1.799 ( -3.458 3.206 2.020) 5.130 2.093 ( -1.797 5.621 4.871) 7.652 2.155 ( -4.252 6.227 -4.317) 8.689 2.310 ( -0.002 4.647 2.059) 5.083 2.350 ( -1.916 3.921 -2.731) 5.148 2.615 ( 3.405 0.484 4.974) 6.047 2.724 ( -2.679 1.343 -4.924) 5.764 2.887 ( 1.210 -1.096 1.910) 2.512 2.920 ( -0.061 -1.911 -1.328) 2.328 3.041 ( 1.315 0.735 2.567) 2.977 3.088 ( -1.168 -0.108 -1.701) 2.066 3.244 ( 1.447 2.157 0.719) 2.695 3.301 ( -2.803 1.442 -2.540) 4.048 3.579 ( 1.162 6.152 -0.095) 6.262 3.598 ( -0.448 6.520 -0.600) 6.562 3.781 ( 1.740 -1.190 2.420) 3.209 3.829 ( -1.219 -2.062 -1.903) 3.060 4.085 ( 2.427 -3.818 1.764) 4.856 4.154 ( -3.099 -3.172 -1.302) 4.622 4.295 ( 0.399 1.490 -0.362) 1.584 4.307 ( -1.024 1.435 0.045) 1.764 4.505 ( 1.084 -1.624 0.744) 2.090 4.518 ( 0.549 -2.172 -0.604) 2.320 4.845 ( 1.670 -1.092 0.494) 2.055 4.873 ( 0.594 -0.285 0.108) 0.668 4.904 ( -0.482 -0.163 -0.793) 0.942 4.934 ( -2.912 -0.253 0.099) 2.924 5.075 ( 4.255 2.939 0.083) 5.172 5.183 ( -5.969 3.421 -0.100) 6.880 5.288 ( 0.979 -0.855 -0.750) 1.501 5.305 ( -1.227 -0.678 1.011) 1.728 5.771 ( 0.633 -1.667 0.376) 1.822 5.780 ( -0.003 -1.084 -0.409) 1.159 5.959 ( 0.815 -0.887 1.727) 2.105 5.987 ( -0.272 -0.629 -1.978) 2.094 6.089 ( 1.903 -0.679 1.131) 2.316 6.126 ( -0.950 -0.335 -1.084) 1.480 6.205 ( 1.713 0.592 1.872) 2.605 6.258 ( -1.758 -0.034 -1.806) 2.520 6.414 ( 1.374 -2.055 1.516) 2.900 6.447 ( -0.688 -1.573 -1.249) 2.123 8.321 ( 2.468 1.542 0.926) 3.054 8.385 ( -3.013 1.987 -0.803) 3.698 8.703 ( 2.570 -2.853 -1.134) 4.003 8.751 ( -2.864 -3.024 1.256) 4.351 9.063 ( 3.556 0.775 -0.079) 3.640 9.125 ( -2.363 0.685 -0.105) 2.463 ======================= Grid point 150 (69/78) ======================= q-point: (-0.12 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( -0.875 4.982 -3.435) 6.114 0.693 ( 0.875 4.982 3.435) 6.114 0.737 ( 1.207 3.092 -6.857) 7.618 0.737 ( -1.207 3.092 6.857) 7.618 0.988 ( 1.630 0.005 -2.071) 2.635 0.988 ( -1.630 0.005 2.071) 2.635 1.129 ( -0.625 1.395 -1.948) 2.476 1.129 ( 0.625 1.395 1.948) 2.476 1.251 ( -1.320 2.767 -2.201) 3.774 1.251 ( 1.320 2.767 2.201) 3.774 1.295 ( 0.204 3.493 -5.139) 6.217 1.295 ( -0.204 3.493 5.139) 6.217 1.414 ( 0.952 0.943 -2.556) 2.886 1.414 ( -0.952 0.943 2.556) 2.886 1.532 ( -0.029 1.704 -2.401) 2.944 1.532 ( 0.029 1.704 2.401) 2.944 1.687 ( -0.523 0.346 -1.284) 1.429 1.687 ( 0.523 0.346 1.284) 1.429 1.750 ( -0.137 0.176 -2.149) 2.160 1.750 ( 0.137 0.176 2.149) 2.160 2.013 ( -1.094 5.054 -5.343) 7.435 2.013 ( 1.094 5.054 5.343) 7.435 2.247 ( -1.131 4.598 -3.998) 6.197 2.247 ( 1.131 4.598 3.998) 6.197 2.657 ( -2.305 1.135 -4.595) 5.265 2.657 ( 2.305 1.135 4.595) 5.265 2.926 ( -1.310 -0.736 -3.698) 3.992 2.926 ( 1.310 -0.736 3.698) 3.992 3.048 ( -1.044 1.598 -2.522) 3.163 3.048 ( 1.044 1.598 2.522) 3.163 3.222 ( -1.914 3.452 -4.706) 6.142 3.222 ( 1.914 3.452 4.706) 6.142 3.497 ( 0.428 3.918 -1.550) 4.235 3.497 ( -0.428 3.918 1.550) 4.235 3.830 ( -1.432 -1.093 -3.315) 3.773 3.830 ( 1.432 -1.093 3.315) 3.773 4.179 ( -2.190 -2.958 -0.869) 3.781 4.179 ( 2.190 -2.958 0.869) 3.781 4.279 ( 0.428 0.531 -1.173) 1.356 4.279 ( -0.428 0.531 1.173) 1.356 4.544 ( -0.682 -1.294 -0.892) 1.713 4.544 ( 0.682 -1.294 0.892) 1.713 4.877 ( 0.058 -0.463 -0.968) 1.075 4.877 ( -0.058 -0.463 0.968) 1.075 4.912 ( -0.032 -0.203 -0.691) 0.721 4.912 ( 0.032 -0.203 0.691) 0.721 5.075 ( -4.285 2.394 -0.343) 4.920 5.075 ( 4.285 2.394 0.343) 4.920 5.314 ( 1.449 -1.216 -3.279) 3.785 5.314 ( -1.449 -1.216 3.279) 3.785 5.800 ( 0.572 -1.267 -1.693) 2.190 5.800 ( -0.572 -1.267 1.693) 2.190 5.986 ( -0.133 -0.656 -2.329) 2.424 5.986 ( 0.133 -0.656 2.329) 2.424 6.114 ( -1.100 -0.015 -1.217) 1.641 6.114 ( 1.100 -0.015 1.217) 1.641 6.229 ( -2.481 0.135 -2.072) 3.235 6.229 ( 2.481 0.135 2.072) 3.235 6.468 ( -0.080 -2.223 -2.387) 3.263 6.468 ( 0.080 -2.223 2.387) 3.263 8.315 ( -0.991 2.570 -2.530) 3.740 8.315 ( 0.991 2.570 2.530) 3.740 8.785 ( 1.630 -3.836 -2.096) 4.665 8.785 ( -1.630 -3.836 2.096) 4.665 9.080 ( -2.139 1.199 -0.575) 2.519 9.080 ( 2.139 1.199 0.575) 2.519 ======================= Grid point 154 (70/78) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.659 ( 5.600 -0.000 -0.302) 5.608 0.663 ( 7.100 -0.000 -6.802) 9.833 0.803 ( 5.108 -0.000 1.170) 5.241 0.903 ( 4.990 -0.000 -0.486) 5.013 0.933 ( 1.292 -0.000 -3.246) 3.493 1.003 ( 1.316 -0.000 -1.154) 1.751 1.112 ( 2.156 -0.000 1.742) 2.771 1.139 ( -3.353 0.000 3.017) 4.511 1.175 ( 2.259 -0.000 0.032) 2.259 1.290 ( 4.257 -0.000 1.714) 4.590 1.304 ( 7.598 -0.000 -3.543) 8.384 1.390 ( 1.548 -0.000 1.297) 2.019 1.426 ( -0.559 0.000 0.150) 0.579 1.457 ( -0.926 0.000 -3.474) 3.595 1.540 ( 0.331 -0.000 -1.835) 1.864 1.638 ( -1.079 0.000 1.532) 1.874 1.642 ( 1.422 -0.000 2.740) 3.087 1.724 ( 3.423 -0.000 -1.181) 3.621 1.782 ( 5.066 -0.000 -0.623) 5.104 1.874 ( 2.626 -0.000 4.177) 4.934 1.998 ( 8.526 -0.000 -4.535) 9.657 2.224 ( 7.635 -0.000 3.944) 8.593 2.255 ( 8.024 -0.000 1.049) 8.092 2.392 ( 4.551 -0.000 3.885) 5.984 2.517 ( 1.197 -0.000 -4.416) 4.575 2.610 ( -2.413 0.000 4.562) 5.161 2.763 ( -0.785 0.000 -1.195) 1.430 2.897 ( 0.508 -0.000 -3.935) 3.968 2.952 ( -2.589 0.000 -3.824) 4.618 2.999 ( -2.150 0.000 -2.890) 3.602 3.118 ( 1.645 -0.000 5.439) 5.682 3.368 ( -1.205 0.000 0.185) 1.219 3.448 ( -0.428 0.000 -0.641) 0.771 3.459 ( 1.129 -0.000 2.297) 2.560 3.765 ( 0.788 -0.000 0.183) 0.809 3.894 ( -0.860 0.000 -0.059) 0.862 4.151 ( -1.518 0.000 0.133) 1.524 4.211 ( 1.501 -0.000 -1.541) 2.151 4.260 ( -0.075 0.000 1.730) 1.731 4.398 ( -1.851 0.000 -0.281) 1.872 4.503 ( 0.065 -0.000 -1.884) 1.885 4.535 ( -1.191 0.000 1.768) 2.131 4.827 ( -0.786 0.000 0.291) 0.838 4.885 ( -1.797 0.000 0.474) 1.859 4.887 ( 0.136 -0.000 0.707) 0.720 5.007 ( 0.504 -0.000 -1.393) 1.481 5.157 ( 4.240 -0.000 0.759) 4.307 5.202 ( 4.950 -0.000 -0.075) 4.950 5.312 ( -1.312 0.000 1.783) 2.214 5.333 ( 1.393 -0.000 -2.772) 3.103 5.787 ( -2.506 0.000 -1.040) 2.713 5.794 ( -1.633 0.000 1.833) 2.455 5.952 ( -0.461 0.000 -2.322) 2.367 5.988 ( -1.043 0.000 1.904) 2.171 6.065 ( -1.595 0.000 0.185) 1.606 6.099 ( -0.496 0.000 -0.828) 0.965 6.198 ( 1.227 -0.000 1.106) 1.652 6.286 ( -0.428 0.000 0.167) 0.460 6.452 ( -0.608 0.000 -2.974) 3.036 6.473 ( -3.251 0.000 2.739) 4.251 8.234 ( 1.220 -0.000 -0.926) 1.532 8.308 ( 0.278 -0.000 0.618) 0.678 8.755 ( -4.279 0.000 -0.279) 4.288 8.767 ( -3.164 0.000 1.815) 3.648 9.089 ( 0.754 -0.000 -1.275) 1.481 9.125 ( 1.936 -0.000 0.146) 1.942 ======================= Grid point 155 (71/78) ======================= q-point: ( 0.38 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( 6.267 -1.905 0.116) 6.551 0.760 ( 5.661 -2.946 -2.658) 6.913 0.872 ( 4.449 -1.714 -0.047) 4.768 0.914 ( 2.230 -0.340 -1.179) 2.546 0.991 ( 0.056 -2.861 -1.351) 3.164 1.024 ( 1.037 -1.371 0.605) 1.823 1.095 ( -1.288 1.358 1.531) 2.418 1.151 ( 0.364 -1.493 3.389) 3.721 1.200 ( 1.398 -0.765 -1.131) 1.954 1.317 ( 2.185 0.995 -0.534) 2.459 1.362 ( 3.075 0.303 0.759) 3.182 1.402 ( 1.677 0.448 -0.937) 1.972 1.427 ( 0.497 -0.841 -0.180) 0.994 1.450 ( 0.066 -0.904 -2.041) 2.234 1.532 ( 1.057 0.409 -1.120) 1.593 1.615 ( -0.403 1.575 1.569) 2.259 1.667 ( 0.176 0.108 0.989) 1.010 1.735 ( 1.873 0.524 0.414) 1.988 1.843 ( 6.996 0.466 -2.210) 7.352 1.901 ( 2.788 1.519 3.231) 4.530 2.088 ( 8.889 -1.763 -3.223) 9.618 2.307 ( 3.714 -0.504 2.843) 4.704 2.329 ( 5.927 -0.521 1.362) 6.104 2.447 ( 3.943 0.308 2.603) 4.735 2.557 ( 4.724 -2.081 -2.429) 5.705 2.642 ( -1.526 -4.063 3.705) 5.706 2.773 ( 0.042 -1.527 -0.137) 1.534 2.866 ( -2.186 1.368 -2.816) 3.819 2.935 ( -0.225 -1.925 -2.832) 3.432 2.988 ( -1.774 -1.774 -3.247) 4.103 3.182 ( 1.560 -3.266 4.125) 5.488 3.362 ( -2.321 -1.668 -0.387) 2.884 3.437 ( -0.430 0.243 -0.168) 0.522 3.485 ( 0.085 -2.103 0.067) 2.106 3.775 ( 1.579 0.771 1.728) 2.464 3.876 ( -1.155 0.663 -1.167) 1.770 4.130 ( -0.257 1.511 0.464) 1.601 4.230 ( 1.403 -0.992 -1.166) 2.077 4.270 ( -0.418 -0.651 1.328) 1.537 4.358 ( -2.853 1.074 -0.899) 3.179 4.489 ( 0.368 1.270 -1.093) 1.715 4.527 ( -0.347 0.845 1.180) 1.493 4.821 ( -0.904 -0.067 0.569) 1.070 4.868 ( -1.595 -0.147 0.203) 1.615 4.892 ( 0.364 0.215 0.920) 1.012 4.996 ( -0.374 0.686 -1.586) 1.768 5.174 ( 4.691 2.384 0.555) 5.291 5.242 ( 0.908 -0.446 -1.204) 1.572 5.303 ( -0.380 0.486 0.681) 0.919 5.361 ( 3.132 -1.162 -0.925) 3.467 5.753 ( -2.079 0.640 -0.658) 2.272 5.785 ( -1.605 -0.074 1.438) 2.156 5.933 ( -1.480 0.569 -1.019) 1.885 5.973 ( -1.938 0.111 -0.013) 1.941 6.048 ( 0.944 0.730 0.827) 1.451 6.107 ( -0.723 -1.105 -0.604) 1.452 6.206 ( 1.219 0.670 0.940) 1.678 6.288 ( -0.953 -0.775 0.249) 1.253 6.425 ( -0.408 1.340 -2.147) 2.563 6.444 ( -2.785 0.673 1.857) 3.414 8.249 ( 1.559 -0.650 -0.601) 1.793 8.341 ( -0.528 -3.133 0.625) 3.238 8.705 ( -2.706 1.271 0.803) 3.096 8.745 ( -3.312 -0.285 0.684) 3.394 9.076 ( 1.599 1.793 -0.862) 2.552 9.141 ( 0.483 -0.211 -0.503) 0.729 ======================= Grid point 156 (72/78) ======================= q-point: ( 0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( 5.014 0.278 -0.655) 5.064 0.827 ( 3.733 -0.485 -0.511) 3.799 0.924 ( 2.074 1.267 0.998) 2.628 0.950 ( -0.831 -1.472 0.577) 1.786 0.978 ( -1.272 0.074 1.141) 1.710 1.063 ( -0.096 -0.929 -1.635) 1.883 1.105 ( 2.113 -0.910 2.651) 3.510 1.178 ( 1.398 0.726 1.031) 1.883 1.235 ( 0.239 -2.924 -0.953) 3.085 1.308 ( 0.696 0.812 -2.215) 2.460 1.369 ( 0.977 1.531 -0.588) 1.909 1.395 ( -0.258 0.513 0.032) 0.575 1.448 ( 0.436 -0.535 1.782) 1.911 1.478 ( 0.046 -3.265 -1.903) 3.779 1.550 ( 1.954 -0.569 -0.265) 2.052 1.583 ( 0.015 2.561 1.844) 3.155 1.664 ( 0.542 -0.429 -1.701) 1.836 1.743 ( 0.572 1.146 2.026) 2.397 1.866 ( 5.529 3.557 0.077) 6.575 1.920 ( 3.345 0.663 -0.099) 3.412 2.185 ( 6.014 -1.228 -2.016) 6.460 2.343 ( 0.083 -0.232 2.053) 2.068 2.393 ( 3.742 -0.719 2.429) 4.519 2.476 ( 2.321 1.546 1.907) 3.378 2.620 ( 2.974 -1.432 -1.678) 3.703 2.699 ( -1.987 -2.562 -0.628) 3.303 2.796 ( -0.943 -1.713 1.094) 2.241 2.837 ( -1.649 -1.908 -1.264) 2.821 2.965 ( 0.328 -1.896 -1.510) 2.446 2.997 ( 0.237 -1.921 -2.088) 2.847 3.259 ( 1.166 -2.185 1.657) 2.980 3.364 ( -3.463 -1.241 -0.407) 3.701 3.460 ( 1.200 -3.763 0.723) 4.016 3.541 ( -0.721 -5.326 -1.027) 5.472 3.779 ( 1.423 1.350 1.957) 2.771 3.844 ( -1.043 1.054 -1.696) 2.252 4.104 ( 1.645 2.642 0.992) 3.267 4.233 ( -1.555 1.748 -0.611) 2.418 4.282 ( 0.206 -1.401 -0.159) 1.425 4.326 ( -1.812 -0.706 -0.273) 1.963 4.469 ( 1.145 1.382 -0.231) 1.809 4.505 ( -0.237 1.582 0.346) 1.636 4.818 ( -0.180 -0.116 0.602) 0.639 4.858 ( -1.183 -0.153 0.176) 1.206 4.896 ( 0.594 0.092 0.444) 0.747 4.969 ( -1.418 0.800 -0.978) 1.899 5.181 ( 4.473 2.377 -0.025) 5.066 5.244 ( 0.060 0.026 0.030) 0.072 5.292 ( 0.287 0.720 -0.599) 0.980 5.386 ( -0.617 0.369 -0.236) 0.757 5.727 ( -0.635 0.456 0.111) 0.790 5.771 ( -1.671 0.184 0.394) 1.727 5.911 ( -0.593 0.020 0.823) 1.015 5.963 ( -0.550 -0.600 -2.007) 2.165 6.057 ( 1.166 0.291 1.394) 1.841 6.111 ( -0.827 -0.652 -0.746) 1.291 6.214 ( 1.487 0.357 0.901) 1.775 6.287 ( -1.212 -0.255 -0.175) 1.251 6.391 ( -0.280 1.538 -0.075) 1.565 6.417 ( -1.656 0.106 -0.006) 1.659 8.284 ( 2.238 -1.379 -0.324) 2.649 8.386 ( -1.985 -3.060 0.367) 3.666 8.669 ( -0.912 1.164 1.004) 1.788 8.718 ( -2.909 -0.129 0.173) 2.917 9.066 ( 2.563 1.406 -0.664) 2.998 9.140 ( -0.788 -0.164 -0.449) 0.922 ======================= Grid point 157 (73/78) ======================= q-point: ( 0.62 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( 2.997 1.628 0.041) 3.411 0.856 ( 3.240 1.133 -0.095) 3.433 0.879 ( -1.438 2.427 0.349) 2.843 0.938 ( -3.508 0.511 0.536) 3.585 0.991 ( 1.058 0.719 2.630) 2.925 1.038 ( -0.592 1.548 -3.257) 3.654 1.148 ( 2.007 0.621 2.750) 3.460 1.181 ( 0.920 0.631 0.645) 1.289 1.266 ( -0.425 -0.760 -1.959) 2.144 1.283 ( -0.818 0.719 -1.828) 2.128 1.346 ( 3.724 1.985 -0.110) 4.221 1.398 ( -1.258 -0.847 0.658) 1.653 1.467 ( 0.591 0.073 0.629) 0.866 1.493 ( -2.143 0.427 0.538) 2.250 1.573 ( 0.653 -1.364 0.461) 1.581 1.583 ( 0.858 -1.223 -0.632) 1.622 1.682 ( 2.479 -0.154 -1.480) 2.892 1.724 ( -1.410 1.121 1.929) 2.639 1.854 ( 5.293 4.224 0.169) 6.774 1.914 ( -0.245 2.464 -0.441) 2.515 2.221 ( 3.173 1.855 0.563) 3.718 2.308 ( -4.230 2.217 -0.579) 4.810 2.439 ( 1.543 1.719 4.553) 5.106 2.454 ( 1.957 2.809 -1.828) 3.881 2.636 ( 0.287 0.525 2.487) 2.558 2.702 ( -2.135 -2.035 -5.518) 6.256 2.829 ( 0.682 -2.127 0.788) 2.368 2.863 ( -1.866 -2.483 0.150) 3.109 3.003 ( 1.409 -1.961 0.943) 2.592 3.032 ( -0.158 -2.498 -1.860) 3.118 3.286 ( 1.697 0.369 -0.518) 1.812 3.333 ( -3.304 0.458 0.380) 3.357 3.578 ( 2.342 -6.367 0.990) 6.856 3.630 ( -1.631 -6.533 -1.438) 6.885 3.773 ( 1.217 1.806 2.047) 2.989 3.807 ( -0.956 1.553 -1.760) 2.534 4.082 ( 2.857 3.015 1.444) 4.397 4.158 ( -3.287 2.978 -1.250) 4.608 4.310 ( 0.613 -0.990 -0.078) 1.167 4.327 ( -1.185 -0.742 0.089) 1.402 4.468 ( 1.233 0.078 -0.140) 1.244 4.481 ( -0.172 0.763 0.134) 0.794 4.828 ( 0.991 -0.288 0.612) 1.200 4.853 ( -0.805 -0.504 -0.101) 0.955 4.902 ( 0.806 0.066 -0.170) 0.826 4.936 ( -2.172 0.595 -0.179) 2.259 5.183 ( 4.678 2.750 -0.162) 5.428 5.244 ( -1.272 0.062 1.164) 1.725 5.283 ( 1.045 0.552 -1.789) 2.144 5.332 ( -4.168 2.398 0.499) 4.834 5.730 ( 0.807 -0.509 0.451) 1.055 5.755 ( -1.244 -0.287 -0.381) 1.332 5.928 ( 0.894 -0.902 1.950) 2.327 5.962 ( -0.499 -0.854 -2.461) 2.652 6.071 ( 1.449 -0.053 1.320) 1.961 6.107 ( -1.200 -0.492 -1.024) 1.652 6.228 ( 1.699 0.496 1.324) 2.211 6.270 ( -1.356 0.459 -1.264) 1.909 6.379 ( 0.603 0.091 1.301) 1.437 6.407 ( -1.271 -0.717 -0.984) 1.760 8.331 ( 3.004 -0.978 0.075) 3.160 8.397 ( -3.274 -1.383 -0.095) 3.555 8.660 ( 0.921 0.174 0.606) 1.116 8.696 ( -2.419 -0.401 -0.035) 2.453 9.078 ( 3.092 0.390 -0.282) 3.129 9.129 ( -1.926 -0.207 -0.217) 1.949 ======================= Grid point 158 (74/78) ======================= q-point: (-0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( 0.431 2.793 -1.627) 3.261 0.814 ( -0.431 2.793 1.627) 3.261 0.865 ( -3.044 2.904 -0.964) 4.316 0.865 ( 3.044 2.904 0.964) 4.316 0.998 ( -1.072 0.865 -1.832) 2.292 0.998 ( 1.072 0.865 1.832) 2.292 1.157 ( -1.038 0.916 -2.394) 2.766 1.157 ( 1.038 0.916 2.394) 2.766 1.257 ( -0.318 1.063 -2.008) 2.294 1.257 ( 0.318 1.063 2.008) 2.294 1.383 ( -1.751 -0.585 -1.211) 2.208 1.383 ( 1.751 -0.585 1.211) 2.208 1.461 ( 1.951 1.480 -2.300) 3.360 1.461 ( -1.951 1.480 2.300) 3.360 1.600 ( 0.263 -0.165 -1.803) 1.829 1.600 ( -0.263 -0.165 1.803) 1.829 1.695 ( 1.834 0.837 -1.177) 2.335 1.695 ( -1.834 0.837 1.177) 2.335 1.830 ( -1.336 4.055 -0.995) 4.384 1.830 ( 1.336 4.055 0.995) 4.384 2.201 ( -2.223 4.669 -3.615) 6.309 2.201 ( 2.223 4.669 3.615) 6.309 2.398 ( 0.189 4.175 -3.575) 5.500 2.398 ( -0.189 4.175 3.575) 5.500 2.673 ( -3.428 -0.406 -5.969) 6.895 2.673 ( 3.428 -0.406 5.969) 6.895 2.879 ( -0.973 -1.782 -1.169) 2.343 2.879 ( 0.973 -1.782 1.169) 2.343 3.054 ( -0.235 -1.595 -3.458) 3.816 3.054 ( 0.235 -1.595 3.458) 3.816 3.292 ( -0.276 1.126 -1.772) 2.117 3.292 ( 0.276 1.126 1.772) 2.117 3.668 ( -1.301 1.012 -0.624) 1.763 3.668 ( 1.301 1.012 0.624) 1.763 3.776 ( -0.523 -1.040 -1.764) 2.114 3.776 ( 0.523 -1.040 1.764) 2.114 4.086 ( -3.052 0.211 -1.863) 3.582 4.086 ( 3.052 0.211 1.863) 3.582 4.319 ( 0.241 0.646 -0.891) 1.127 4.319 ( -0.241 0.646 0.891) 1.127 4.486 ( -0.048 -1.355 -0.514) 1.450 4.486 ( 0.048 -1.355 0.514) 1.450 4.852 ( -1.046 -0.701 -1.107) 1.677 4.852 ( 1.046 -0.701 1.107) 1.677 4.911 ( 0.054 0.120 -1.094) 1.102 4.911 ( -0.054 0.120 1.094) 1.102 5.182 ( -5.117 3.299 -0.192) 6.092 5.182 ( 5.117 3.299 0.192) 6.092 5.287 ( 1.519 -0.187 -3.158) 3.509 5.287 ( -1.519 -0.187 3.158) 3.509 5.756 ( 0.086 -1.100 -1.454) 1.825 5.756 ( -0.086 -1.100 1.454) 1.825 5.961 ( -0.767 -0.825 -2.389) 2.641 5.961 ( 0.767 -0.825 2.389) 2.641 6.099 ( -1.424 -0.704 -1.359) 2.090 6.099 ( 1.424 -0.704 1.359) 2.090 6.239 ( -1.644 0.628 -1.753) 2.484 6.239 ( 1.644 0.628 1.753) 2.484 6.406 ( -1.138 -1.266 -1.580) 2.323 6.406 ( 1.138 -1.266 1.580) 2.323 8.370 ( -1.317 0.354 -2.288) 2.663 8.370 ( 1.317 0.354 2.288) 2.663 8.688 ( -0.236 -1.509 -1.314) 2.015 8.688 ( 0.236 -1.509 1.314) 2.015 9.105 ( -2.060 0.184 -0.659) 2.171 9.105 ( 2.060 0.184 0.659) 2.171 ======================= Grid point 164 (75/78) ======================= q-point: ( 0.38 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( 6.268 -0.000 -3.111) 6.998 0.796 ( 5.721 -0.000 4.924) 7.548 0.886 ( 1.306 -0.000 0.672) 1.468 0.948 ( 1.146 -0.000 -2.935) 3.151 0.957 ( 2.838 -0.000 -0.853) 2.964 1.008 ( 0.221 -0.000 -1.310) 1.329 1.085 ( -2.227 0.000 3.386) 4.053 1.173 ( 1.512 -0.000 2.575) 2.986 1.193 ( 0.126 -0.000 -2.096) 2.100 1.312 ( -2.355 0.000 -1.921) 3.039 1.395 ( -0.483 0.000 -1.862) 1.924 1.404 ( -0.536 0.000 1.035) 1.165 1.444 ( 4.505 -0.000 -0.157) 4.508 1.449 ( 1.377 -0.000 -0.558) 1.486 1.555 ( 2.301 -0.000 1.145) 2.570 1.605 ( -1.671 0.000 0.176) 1.680 1.703 ( 1.718 -0.000 2.054) 2.678 1.743 ( 0.253 -0.000 -0.527) 0.584 1.901 ( 6.228 -0.000 -3.344) 7.069 1.950 ( 1.890 -0.000 2.794) 3.373 2.164 ( 9.550 -0.000 -2.125) 9.784 2.334 ( 0.360 -0.000 3.058) 3.079 2.392 ( 5.004 -0.000 1.930) 5.363 2.504 ( 4.048 -0.000 0.566) 4.088 2.581 ( 4.918 -0.000 -1.144) 5.049 2.602 ( -0.854 0.000 2.848) 2.973 2.771 ( 2.035 -0.000 -0.316) 2.059 2.860 ( -2.406 0.000 -2.403) 3.401 2.895 ( -0.589 0.000 -1.111) 1.258 2.946 ( -0.014 0.000 -3.070) 3.070 3.184 ( 1.565 -0.000 4.042) 4.335 3.318 ( -3.019 0.000 -0.995) 3.178 3.434 ( -0.702 0.000 0.452) 0.835 3.461 ( -0.684 0.000 -1.566) 1.709 3.803 ( 0.994 -0.000 2.387) 2.585 3.863 ( -1.139 0.000 -2.154) 2.437 4.150 ( 1.325 -0.000 1.273) 1.838 4.231 ( 1.556 -0.000 -1.456) 2.131 4.265 ( -0.612 0.000 1.315) 1.450 4.324 ( -4.405 0.000 -1.036) 4.525 4.506 ( 1.535 -0.000 -1.716) 2.303 4.536 ( -0.492 0.000 1.729) 1.798 4.815 ( -0.572 0.000 0.723) 0.922 4.846 ( -1.795 0.000 -0.288) 1.818 4.906 ( 0.713 -0.000 1.883) 2.013 4.988 ( -0.977 0.000 -2.522) 2.704 5.236 ( 1.445 -0.000 2.439) 2.835 5.240 ( 1.319 -0.000 -2.869) 3.158 5.316 ( 1.538 -0.000 1.178) 1.937 5.379 ( 2.987 -0.000 -1.479) 3.333 5.737 ( -1.405 0.000 -0.557) 1.511 5.770 ( -1.988 0.000 1.370) 2.414 5.923 ( -0.901 0.000 -1.174) 1.480 5.950 ( -2.716 0.000 0.328) 2.736 6.070 ( 0.325 -0.000 2.263) 2.287 6.088 ( 0.403 -0.000 -1.787) 1.832 6.227 ( 0.906 -0.000 0.829) 1.228 6.269 ( -1.054 0.000 -0.060) 1.056 6.425 ( 0.117 -0.000 -3.011) 3.013 6.431 ( -2.676 0.000 2.773) 3.854 8.259 ( 1.707 -0.000 -0.537) 1.790 8.307 ( -0.801 0.000 0.668) 1.043 8.691 ( -2.422 0.000 1.368) 2.782 8.718 ( -2.297 0.000 -0.238) 2.309 9.101 ( 0.978 -0.000 0.173) 0.993 9.143 ( 0.351 -0.000 -1.262) 1.310 ======================= Grid point 165 (76/78) ======================= q-point: ( 0.50 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( 5.147 -1.748 -1.277) 5.584 0.868 ( 3.354 -0.285 1.960) 3.895 0.908 ( -0.443 -1.578 0.456) 1.701 0.943 ( -2.430 -0.835 -1.076) 2.786 0.977 ( 2.786 0.302 0.307) 2.819 1.026 ( -1.447 -1.906 -0.093) 2.395 1.110 ( 2.327 -1.953 3.295) 4.482 1.181 ( -0.598 -0.789 -1.676) 1.946 1.206 ( 1.341 -0.916 0.694) 1.766 1.276 ( -3.740 -0.645 -2.375) 4.477 1.387 ( 0.689 0.267 -0.389) 0.835 1.400 ( -0.849 -0.328 0.178) 0.928 1.447 ( 1.964 0.492 -0.873) 2.204 1.468 ( 0.119 0.942 0.301) 0.996 1.572 ( 1.712 0.661 0.903) 2.045 1.603 ( -0.927 0.243 -0.039) 0.959 1.698 ( 2.722 1.662 0.275) 3.201 1.748 ( -1.509 -0.185 0.629) 1.645 1.941 ( 4.387 0.360 -2.825) 5.230 1.963 ( 0.556 0.901 2.228) 2.467 2.241 ( 7.346 0.184 -1.699) 7.542 2.333 ( -2.889 -0.033 2.039) 3.536 2.446 ( 4.612 0.118 3.627) 5.869 2.519 ( 0.314 0.614 -0.621) 0.928 2.615 ( 3.271 -1.107 -3.495) 4.914 2.641 ( -1.533 -2.263 2.970) 4.036 2.787 ( 0.725 0.310 -0.085) 0.793 2.808 ( -1.432 1.048 -1.591) 2.384 2.929 ( 1.222 -2.599 -0.087) 2.873 2.958 ( -0.310 -2.019 -1.482) 2.524 3.237 ( 1.791 -2.488 2.540) 3.981 3.299 ( -3.040 -1.793 -1.227) 3.737 3.436 ( 0.305 -0.908 1.002) 1.386 3.463 ( -1.082 -2.101 -1.755) 2.943 3.813 ( 0.492 0.595 2.362) 2.485 3.841 ( -0.770 0.489 -2.422) 2.588 4.164 ( 2.918 1.439 1.437) 3.557 4.236 ( -1.792 0.948 -0.680) 2.139 4.264 ( 0.384 -0.856 -0.551) 1.088 4.288 ( -2.469 -1.074 -0.059) 2.693 4.506 ( 1.704 1.251 -1.097) 2.382 4.526 ( -0.906 1.071 1.127) 1.800 4.817 ( 0.074 -0.217 0.653) 0.692 4.835 ( -1.305 -0.537 -0.414) 1.470 4.918 ( 1.099 0.486 1.965) 2.303 4.961 ( -1.455 0.563 -2.289) 2.770 5.235 ( 1.746 0.750 -1.918) 2.700 5.246 ( -0.806 0.131 2.004) 2.164 5.331 ( 3.211 1.534 0.448) 3.587 5.387 ( -0.656 0.639 -1.023) 1.373 5.728 ( 0.186 0.063 0.015) 0.197 5.754 ( -2.051 -0.011 0.493) 2.109 5.911 ( -0.026 0.028 0.415) 0.417 5.935 ( -1.454 -0.711 -1.054) 1.931 6.077 ( 0.543 0.235 1.747) 1.844 6.092 ( -0.102 -0.481 -1.300) 1.390 6.235 ( 1.214 0.197 0.616) 1.375 6.264 ( -1.338 -0.548 -0.217) 1.462 6.408 ( -0.007 0.952 -1.101) 1.455 6.412 ( -1.241 0.654 0.959) 1.699 8.283 ( 2.148 -1.121 -0.450) 2.465 8.321 ( -1.795 -2.234 0.547) 2.918 8.677 ( -0.765 0.318 1.392) 1.620 8.695 ( -1.647 0.108 -0.765) 1.819 9.105 ( 1.443 0.888 0.421) 1.746 9.133 ( -0.650 0.425 -1.053) 1.309 ======================= Grid point 166 (77/78) ======================= q-point: ( 0.62 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( -1.296 1.008 -1.439) 2.183 0.882 ( 1.296 1.008 1.439) 2.183 0.909 ( -0.379 0.512 -2.091) 2.186 0.909 ( 0.379 0.512 2.091) 2.186 1.024 ( -1.706 -0.447 -2.972) 3.456 1.024 ( 1.706 -0.447 2.972) 3.456 1.178 ( -1.511 -0.974 -3.673) 4.090 1.178 ( 1.511 -0.974 3.673) 4.090 1.252 ( -1.360 -1.270 -2.532) 3.142 1.252 ( 1.360 -1.270 2.532) 3.142 1.392 ( 1.491 0.629 -1.746) 2.381 1.392 ( -1.491 0.629 1.746) 2.381 1.466 ( 0.439 -1.273 -2.331) 2.692 1.466 ( -0.439 -1.273 2.331) 2.692 1.571 ( -0.534 0.829 -1.085) 1.466 1.571 ( 0.534 0.829 1.085) 1.466 1.717 ( 0.405 0.615 -1.353) 1.540 1.717 ( -0.405 0.615 1.353) 1.540 1.945 ( 0.561 1.973 -2.231) 3.031 1.945 ( -0.561 1.973 2.231) 3.031 2.289 ( -3.377 0.948 -0.291) 3.519 2.289 ( 3.377 0.948 0.291) 3.519 2.491 ( 0.136 0.984 -4.904) 5.004 2.491 ( -0.136 0.984 4.904) 5.004 2.648 ( 1.555 -0.645 -4.916) 5.196 2.648 ( -1.555 -0.645 4.916) 5.196 2.803 ( 0.015 -1.974 -1.846) 2.703 2.803 ( -0.015 -1.974 1.846) 2.703 2.983 ( 0.073 -2.179 -1.624) 2.718 2.983 ( -0.073 -2.179 1.624) 2.718 3.299 ( -0.155 -1.329 -2.887) 3.182 3.299 ( 0.155 -1.329 2.887) 3.182 3.501 ( -1.551 -5.093 -1.989) 5.684 3.501 ( 1.551 -5.093 1.989) 5.684 3.813 ( -0.314 1.027 -2.598) 2.811 3.813 ( 0.314 1.027 2.598) 2.811 4.168 ( -3.364 2.587 -1.424) 4.476 4.168 ( 3.364 2.587 1.424) 4.476 4.296 ( 0.171 -1.486 -0.909) 1.751 4.296 ( -0.171 -1.486 0.909) 1.751 4.495 ( 0.448 1.423 -1.244) 1.942 4.495 ( -0.448 1.423 1.244) 1.942 4.831 ( -0.410 -0.586 -1.031) 1.255 4.831 ( 0.410 -0.586 1.031) 1.255 4.927 ( -1.382 0.750 -1.476) 2.157 4.927 ( 1.382 0.750 1.476) 2.157 5.237 ( 1.687 0.422 -2.487) 3.035 5.237 ( -1.687 0.422 2.487) 3.035 5.333 ( -2.111 2.271 -0.838) 3.212 5.333 ( 2.111 2.271 0.838) 3.212 5.737 ( -0.456 -0.087 -1.186) 1.273 5.737 ( 0.456 -0.087 1.186) 1.273 5.931 ( -0.850 -0.855 -2.142) 2.458 5.931 ( 0.850 -0.855 2.142) 2.458 6.088 ( -0.522 -0.085 -1.781) 1.858 6.088 ( 0.522 -0.085 1.781) 1.858 6.253 ( -1.592 -0.086 -0.917) 1.839 6.253 ( 1.592 -0.086 0.917) 1.839 6.394 ( 0.648 0.625 -2.352) 2.518 6.394 ( -0.648 0.625 2.352) 2.518 8.336 ( -1.003 -2.023 -1.117) 2.519 8.336 ( 1.003 -2.023 1.117) 2.519 8.676 ( -0.483 0.251 -1.213) 1.329 8.676 ( 0.483 0.251 1.213) 1.329 9.110 ( -1.177 0.499 -0.761) 1.488 9.110 ( 1.177 0.499 0.761) 1.488 ======================= Grid point 175 (78/78) ======================= q-point: ( 0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( -3.709 0.000 0.569) 3.752 0.853 ( 3.709 -0.000 -0.569) 3.752 0.915 ( -2.024 0.000 -3.999) 4.482 0.915 ( 2.024 -0.000 3.999) 4.482 0.997 ( -0.437 0.000 -1.260) 1.333 0.997 ( 0.437 -0.000 1.260) 1.333 1.135 ( -3.207 0.000 -4.442) 5.479 1.135 ( 3.207 -0.000 4.442) 5.479 1.229 ( -2.740 0.000 -2.526) 3.727 1.229 ( 2.740 -0.000 2.526) 3.727 1.391 ( 0.871 -0.000 -1.051) 1.365 1.391 ( -0.871 0.000 1.051) 1.365 1.474 ( 1.250 -0.000 -0.576) 1.377 1.474 ( -1.250 0.000 0.576) 1.377 1.596 ( -0.503 0.000 0.090) 0.510 1.596 ( 0.503 -0.000 -0.090) 0.510 1.732 ( 0.031 -0.000 -2.618) 2.618 1.732 ( -0.031 0.000 2.618) 2.618 1.967 ( 2.337 -0.000 -2.511) 3.430 1.967 ( -2.337 0.000 2.511) 3.430 2.301 ( 5.270 -0.000 -2.117) 5.679 2.301 ( -5.270 0.000 2.117) 5.679 2.498 ( -3.218 0.000 -2.306) 3.959 2.498 ( 3.218 -0.000 2.306) 3.959 2.620 ( 0.325 -0.000 -0.140) 0.354 2.620 ( -0.325 0.000 0.140) 0.354 2.807 ( -1.563 0.000 -0.012) 1.563 2.807 ( 1.563 -0.000 0.012) 1.563 2.922 ( -1.771 0.000 -1.143) 2.108 2.922 ( 1.771 -0.000 1.143) 2.108 3.246 ( -2.700 0.000 -2.120) 3.433 3.246 ( 2.700 -0.000 2.120) 3.433 3.435 ( -0.143 0.000 -1.907) 1.912 3.435 ( 0.143 -0.000 1.907) 1.912 3.830 ( -0.266 0.000 -2.776) 2.789 3.830 ( 0.266 -0.000 2.776) 2.789 4.218 ( -3.539 0.000 -1.783) 3.963 4.218 ( 3.539 -0.000 1.783) 3.963 4.257 ( 0.558 -0.000 -1.014) 1.158 4.257 ( -0.558 0.000 1.014) 1.158 4.528 ( 1.588 -0.000 -1.714) 2.336 4.528 ( -1.588 0.000 1.714) 2.336 4.819 ( -0.467 0.000 -0.738) 0.874 4.819 ( 0.467 -0.000 0.738) 0.874 4.943 ( -1.278 0.000 -2.687) 2.975 4.943 ( 1.278 -0.000 2.687) 2.975 5.245 ( 1.410 -0.000 -2.894) 3.219 5.245 ( -1.410 0.000 2.894) 3.219 5.378 ( -1.927 0.000 -1.768) 2.615 5.378 ( 1.927 -0.000 1.768) 2.615 5.737 ( -1.545 0.000 0.333) 1.580 5.737 ( 1.545 -0.000 -0.333) 1.580 5.914 ( -0.766 0.000 0.199) 0.792 5.914 ( 0.766 -0.000 -0.199) 0.792 6.085 ( 0.613 -0.000 -2.376) 2.453 6.085 ( -0.613 0.000 2.376) 2.453 6.248 ( -0.940 0.000 -0.257) 0.975 6.248 ( 0.940 -0.000 0.257) 0.975 6.414 ( 1.135 -0.000 -3.037) 3.242 6.414 ( -1.135 0.000 3.037) 3.242 8.288 ( 1.537 -0.000 -0.652) 1.669 8.288 ( -1.537 0.000 0.652) 1.669 8.682 ( -0.270 0.000 -1.789) 1.809 8.682 ( 0.270 -0.000 1.789) 1.809 9.127 ( -0.767 0.000 -1.425) 1.619 9.127 ( 0.767 -0.000 1.425) 1.619 =================== 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 3/16896 10.0 17.217 17.934 14.087 -0.000 0.214 0.000 3/16896 20.0 4.907 4.844 3.878 -0.000 0.010 0.000 3/16896 30.0 2.695 2.600 2.114 -0.000 -0.006 0.000 3/16896 40.0 1.839 1.751 1.435 -0.000 -0.006 0.000 3/16896 50.0 1.397 1.320 1.086 -0.000 -0.005 0.000 3/16896 60.0 1.129 1.061 0.876 -0.000 -0.003 0.000 3/16896 70.0 0.951 0.890 0.736 -0.000 -0.002 0.000 3/16896 80.0 0.823 0.767 0.636 -0.000 -0.002 0.000 3/16896 90.0 0.727 0.676 0.561 -0.000 -0.001 0.000 3/16896 100.0 0.652 0.605 0.502 -0.000 -0.001 0.000 3/16896 110.0 0.592 0.547 0.455 -0.000 -0.001 0.000 3/16896 120.0 0.542 0.500 0.416 -0.000 -0.001 0.000 3/16896 130.0 0.500 0.461 0.384 -0.000 -0.001 0.000 3/16896 140.0 0.465 0.428 0.356 -0.000 -0.000 0.000 3/16896 150.0 0.434 0.399 0.332 -0.000 -0.000 0.000 3/16896 160.0 0.408 0.374 0.312 -0.000 -0.000 0.000 3/16896 170.0 0.384 0.352 0.293 -0.000 -0.000 0.000 3/16896 180.0 0.363 0.333 0.277 -0.000 -0.000 0.000 3/16896 190.0 0.345 0.315 0.263 -0.000 -0.000 0.000 3/16896 200.0 0.328 0.300 0.250 -0.000 -0.000 0.000 3/16896 210.0 0.313 0.285 0.238 -0.000 -0.000 0.000 3/16896 220.0 0.299 0.273 0.227 -0.000 -0.000 0.000 3/16896 230.0 0.286 0.261 0.217 -0.000 -0.000 0.000 3/16896 240.0 0.275 0.250 0.208 -0.000 -0.000 0.000 3/16896 250.0 0.264 0.240 0.200 -0.000 -0.000 0.000 3/16896 260.0 0.254 0.231 0.193 -0.000 -0.000 0.000 3/16896 270.0 0.245 0.223 0.185 -0.000 -0.000 0.000 3/16896 280.0 0.236 0.215 0.179 -0.000 -0.000 0.000 3/16896 290.0 0.228 0.208 0.173 -0.000 -0.000 0.000 3/16896 300.0 0.221 0.201 0.167 -0.000 -0.000 0.000 3/16896 310.0 0.214 0.195 0.162 -0.000 -0.000 0.000 3/16896 320.0 0.208 0.189 0.157 -0.000 -0.000 0.000 3/16896 330.0 0.202 0.183 0.152 -0.000 -0.000 0.000 3/16896 340.0 0.196 0.178 0.148 -0.000 -0.000 0.000 3/16896 350.0 0.190 0.173 0.144 -0.000 -0.000 0.000 3/16896 360.0 0.185 0.168 0.140 -0.000 -0.000 0.000 3/16896 370.0 0.180 0.164 0.136 -0.000 -0.000 0.000 3/16896 380.0 0.176 0.159 0.132 -0.000 -0.000 0.000 3/16896 390.0 0.171 0.155 0.129 -0.000 -0.000 0.000 3/16896 400.0 0.167 0.152 0.126 -0.000 -0.000 0.000 3/16896 410.0 0.163 0.148 0.123 -0.000 -0.000 0.000 3/16896 420.0 0.160 0.144 0.120 -0.000 -0.000 0.000 3/16896 430.0 0.156 0.141 0.117 -0.000 -0.000 0.000 3/16896 440.0 0.153 0.138 0.115 -0.000 -0.000 0.000 3/16896 450.0 0.149 0.135 0.112 -0.000 -0.000 0.000 3/16896 460.0 0.146 0.132 0.110 -0.000 -0.000 0.000 3/16896 470.0 0.143 0.129 0.107 -0.000 -0.000 0.000 3/16896 480.0 0.140 0.127 0.105 -0.000 -0.000 0.000 3/16896 490.0 0.137 0.124 0.103 -0.000 -0.000 0.000 3/16896 500.0 0.135 0.122 0.101 -0.000 -0.000 0.000 3/16896 510.0 0.132 0.119 0.099 -0.000 -0.000 0.000 3/16896 520.0 0.130 0.117 0.097 -0.000 -0.000 0.000 3/16896 530.0 0.127 0.115 0.095 -0.000 -0.000 0.000 3/16896 540.0 0.125 0.113 0.094 -0.000 -0.000 0.000 3/16896 550.0 0.123 0.111 0.092 -0.000 -0.000 0.000 3/16896 560.0 0.121 0.109 0.090 -0.000 -0.000 0.000 3/16896 570.0 0.119 0.107 0.089 -0.000 -0.000 0.000 3/16896 580.0 0.117 0.105 0.087 -0.000 -0.000 0.000 3/16896 590.0 0.115 0.104 0.086 -0.000 -0.000 0.000 3/16896 600.0 0.113 0.102 0.084 -0.000 -0.000 0.000 3/16896 610.0 0.111 0.100 0.083 -0.000 -0.000 0.000 3/16896 620.0 0.109 0.099 0.082 -0.000 -0.000 0.000 3/16896 630.0 0.108 0.097 0.080 -0.000 -0.000 0.000 3/16896 640.0 0.106 0.096 0.079 -0.000 -0.000 0.000 3/16896 650.0 0.104 0.094 0.078 -0.000 -0.000 0.000 3/16896 660.0 0.103 0.093 0.077 -0.000 -0.000 0.000 3/16896 670.0 0.101 0.091 0.076 -0.000 -0.000 0.000 3/16896 680.0 0.100 0.090 0.075 -0.000 -0.000 0.000 3/16896 690.0 0.099 0.089 0.073 -0.000 -0.000 0.000 3/16896 700.0 0.097 0.088 0.072 -0.000 -0.000 0.000 3/16896 710.0 0.096 0.086 0.071 -0.000 -0.000 0.000 3/16896 720.0 0.095 0.085 0.070 -0.000 -0.000 0.000 3/16896 730.0 0.093 0.084 0.070 -0.000 -0.000 0.000 3/16896 740.0 0.092 0.083 0.069 -0.000 -0.000 0.000 3/16896 750.0 0.091 0.082 0.068 -0.000 -0.000 0.000 3/16896 760.0 0.090 0.081 0.067 -0.000 -0.000 0.000 3/16896 770.0 0.089 0.080 0.066 -0.000 -0.000 0.000 3/16896 780.0 0.088 0.079 0.065 -0.000 -0.000 0.000 3/16896 790.0 0.086 0.078 0.064 -0.000 -0.000 0.000 3/16896 800.0 0.085 0.077 0.064 -0.000 -0.000 0.000 3/16896 810.0 0.084 0.076 0.063 -0.000 -0.000 0.000 3/16896 820.0 0.083 0.075 0.062 -0.000 -0.000 0.000 3/16896 830.0 0.082 0.074 0.061 -0.000 -0.000 0.000 3/16896 840.0 0.081 0.073 0.061 -0.000 -0.000 0.000 3/16896 850.0 0.080 0.072 0.060 -0.000 -0.000 0.000 3/16896 860.0 0.080 0.072 0.059 -0.000 -0.000 0.000 3/16896 870.0 0.079 0.071 0.058 -0.000 -0.000 0.000 3/16896 880.0 0.078 0.070 0.058 -0.000 -0.000 0.000 3/16896 890.0 0.077 0.069 0.057 -0.000 -0.000 0.000 3/16896 900.0 0.076 0.068 0.057 -0.000 -0.000 0.000 3/16896 910.0 0.075 0.068 0.056 -0.000 -0.000 0.000 3/16896 920.0 0.075 0.067 0.055 -0.000 -0.000 0.000 3/16896 930.0 0.074 0.066 0.055 -0.000 -0.000 0.000 3/16896 940.0 0.073 0.066 0.054 -0.000 -0.000 0.000 3/16896 950.0 0.072 0.065 0.054 -0.000 -0.000 0.000 3/16896 960.0 0.071 0.064 0.053 -0.000 -0.000 0.000 3/16896 970.0 0.071 0.064 0.052 -0.000 -0.000 0.000 3/16896 980.0 0.070 0.063 0.052 -0.000 -0.000 0.000 3/16896 990.0 0.069 0.062 0.051 -0.000 -0.000 0.000 3/16896 1000.0 0.069 0.062 0.051 -0.000 -0.000 0.000 3/16896 Thermal conductivity related properties were written into "kappa-m884.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:49:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|