----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 02:31:03]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.001779010253572 -2.789650855000000 0.000000000000000 b 5.001779010253572 2.789650855000000 0.000000000000000 c -3.360535400441021 0.000000000000000 12.542903509269117 Atomic positions (fractional): *1 O 0.07579019960530 0.19084877787416 0.45759535232390 15.999 *2 O 0.57255266752270 0.67564721210187 0.37167268353472 15.999 3 O 0.67564721210187 0.57255266752270 0.87167268353472 15.999 4 O 0.42744733247730 0.32435278789813 0.62832731646528 15.999 *5 O 0.86051312692307 0.13948687307693 0.25000000000000 15.999 6 O 0.13948687307693 0.86051312692307 0.75000000000000 15.999 *7 O 0.46532869596084 0.78464322291331 0.60004123139790 15.999 8 O 0.21535677708669 0.53467130403916 0.89995876860210 15.999 9 O 0.80915122212584 0.92420980039470 0.04240464767610 15.999 10 O 0.78464322291331 0.46532869596084 0.10004123139790 15.999 11 O 0.92420980039470 0.80915122212584 0.54240464767610 15.999 12 O 0.19084877787416 0.07579019960530 0.95759535232390 15.999 13 O 0.53467130403916 0.21535677708669 0.39995876860210 15.999 14 O 0.32435278789813 0.42744733247730 0.12832731646528 15.999 *15 K 0.93913696921804 0.35754747225959 0.67814079547584 39.098 16 K 0.64245252774041 0.06086303078196 0.82185920452416 39.098 17 K 0.06086303078196 0.64245252774041 0.32185920452416 39.098 18 K 0.35754747225959 0.93913696921804 0.17814079547584 39.098 *19 Ge 0.68062797533935 0.24387618256610 0.12150193911592 72.640 20 Ge 0.24387618256610 0.68062797533935 0.62150193911592 72.640 21 Ge 0.31937202466065 0.75612381743390 0.87849806088408 72.640 22 Ge 0.75612381743390 0.31937202466065 0.37849806088408 72.640 *23 Zr 0.00000000000000 0.50000000000000 0.00000000000000 91.224 24 Zr 0.50000000000000 0.00000000000000 0.50000000000000 91.224 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.003558020507144 0.000000000000000 0.000000000000000 b 0.000000000000000 5.579301709999999 0.000000000000000 c -3.360535400441021 0.000000000000000 12.542903509269117 Atomic positions (fractional): *1 O 0.13331948873973 0.05752928913443 0.45759535232390 15.999 > 1 *2 O 0.12409993981228 0.55154727228959 0.37167268353472 15.999 > 2 3 O 0.12409993981228 0.44845272771041 0.87167268353472 15.999 > 3 4 O 0.87590006018772 0.44845272771041 0.62832731646528 15.999 > 4 *5 O 0.00000000000000 0.13948687307693 0.25000000000000 15.999 > 5 6 O 0.00000000000000 0.86051312692307 0.75000000000000 15.999 > 6 *7 O 0.12498595943707 0.65965726347624 0.60004123139790 15.999 > 7 8 O 0.37501404056292 0.15965726347624 0.89995876860210 15.999 > 8 9 O 0.86668051126027 0.05752928913443 0.04240464767610 15.999 > 9 10 O 0.62498595943708 0.84034273652376 0.10004123139790 15.999 > 10 11 O 0.86668051126027 0.94247071086557 0.54240464767610 15.999 > 11 12 O 0.13331948873973 0.94247071086557 0.95759535232390 15.999 > 12 13 O 0.87501404056292 0.34034273652376 0.39995876860210 15.999 > 13 14 O 0.87590006018772 0.55154727228959 0.12832731646528 15.999 > 14 15 O 0.63331948873973 0.55752928913443 0.45759535232390 15.999 > 1 16 O 0.62409993981228 0.05154727228959 0.37167268353472 15.999 > 2 17 O 0.62409993981228 0.94845272771041 0.87167268353472 15.999 > 3 18 O 0.37590006018772 0.94845272771041 0.62832731646528 15.999 > 4 19 O 0.50000000000000 0.63948687307693 0.25000000000000 15.999 > 5 20 O 0.50000000000000 0.36051312692307 0.75000000000000 15.999 > 6 21 O 0.62498595943708 0.15965726347624 0.60004123139790 15.999 > 7 22 O 0.87501404056292 0.65965726347624 0.89995876860210 15.999 > 8 23 O 0.36668051126027 0.55752928913443 0.04240464767610 15.999 > 9 24 O 0.12498595943707 0.34034273652376 0.10004123139790 15.999 > 10 25 O 0.36668051126027 0.44247071086557 0.54240464767610 15.999 > 11 26 O 0.63331948873973 0.44247071086557 0.95759535232390 15.999 > 12 27 O 0.37501404056292 0.84034273652376 0.39995876860210 15.999 > 13 28 O 0.37590006018772 0.05154727228959 0.12832731646528 15.999 > 14 *29 K 0.14834222073881 0.20920525152078 0.67814079547584 39.098 > 15 30 K 0.35165777926119 0.70920525152078 0.82185920452416 39.098 > 16 31 K 0.85165777926119 0.79079474847922 0.32185920452416 39.098 > 17 32 K 0.64834222073881 0.29079474847922 0.17814079547584 39.098 > 18 33 K 0.64834222073881 0.70920525152078 0.67814079547584 39.098 > 15 34 K 0.85165777926119 0.20920525152078 0.82185920452416 39.098 > 16 35 K 0.35165777926119 0.29079474847922 0.32185920452416 39.098 > 17 36 K 0.14834222073881 0.79079474847922 0.17814079547584 39.098 > 18 *37 Ge 0.96225207895273 0.28162410361338 0.12150193911592 72.640 > 19 38 Ge 0.96225207895273 0.71837589638662 0.62150193911592 72.640 > 20 39 Ge 0.03774792104727 0.71837589638662 0.87849806088408 72.640 > 21 40 Ge 0.03774792104727 0.28162410361338 0.37849806088408 72.640 > 22 41 Ge 0.46225207895273 0.78162410361338 0.12150193911592 72.640 > 19 42 Ge 0.46225207895273 0.21837589638662 0.62150193911592 72.640 > 20 43 Ge 0.53774792104727 0.21837589638662 0.87849806088408 72.640 > 21 44 Ge 0.53774792104727 0.78162410361338 0.37849806088408 72.640 > 22 *45 Zr 0.75000000000000 0.75000000000000 0.00000000000000 91.224 > 23 46 Zr 0.25000000000000 0.75000000000000 0.50000000000000 91.224 > 24 47 Zr 0.25000000000000 0.25000000000000 0.00000000000000 91.224 > 23 48 Zr 0.75000000000000 0.25000000000000 0.50000000000000 91.224 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.003558020507144 0.000000000000000 0.000000000000000 b 0.000000000000000 11.158603419999999 0.000000000000000 c -3.360535400441021 0.000000000000000 12.542903509269117 Atomic positions (fractional): *1 O 0.13331948873973 0.02876464456721 0.45759535232390 15.999 > 1 2 O 0.13331948873973 0.52876464456721 0.45759535232390 15.999 > 1 *3 O 0.12409993981228 0.27577363614479 0.37167268353472 15.999 > 2 4 O 0.12409993981228 0.77577363614479 0.37167268353472 15.999 > 2 5 O 0.12409993981228 0.22422636385521 0.87167268353472 15.999 > 3 6 O 0.12409993981228 0.72422636385521 0.87167268353472 15.999 > 3 7 O 0.87590006018772 0.22422636385521 0.62832731646528 15.999 > 4 8 O 0.87590006018772 0.72422636385521 0.62832731646528 15.999 > 4 *9 O 0.00000000000000 0.06974343653846 0.25000000000000 15.999 > 5 10 O 0.00000000000000 0.56974343653846 0.25000000000000 15.999 > 5 11 O 0.00000000000000 0.43025656346154 0.75000000000000 15.999 > 6 12 O 0.00000000000000 0.93025656346154 0.75000000000000 15.999 > 6 *13 O 0.12498595943707 0.32982863173812 0.60004123139790 15.999 > 7 14 O 0.12498595943707 0.82982863173812 0.60004123139790 15.999 > 7 15 O 0.37501404056292 0.07982863173812 0.89995876860210 15.999 > 8 16 O 0.37501404056292 0.57982863173812 0.89995876860210 15.999 > 8 17 O 0.86668051126027 0.02876464456721 0.04240464767610 15.999 > 9 18 O 0.86668051126027 0.52876464456721 0.04240464767610 15.999 > 9 19 O 0.62498595943708 0.42017136826188 0.10004123139790 15.999 > 10 20 O 0.62498595943708 0.92017136826188 0.10004123139790 15.999 > 10 21 O 0.86668051126027 0.47123535543279 0.54240464767610 15.999 > 11 22 O 0.86668051126027 0.97123535543279 0.54240464767610 15.999 > 11 23 O 0.13331948873973 0.47123535543279 0.95759535232390 15.999 > 12 24 O 0.13331948873973 0.97123535543279 0.95759535232390 15.999 > 12 25 O 0.87501404056292 0.17017136826188 0.39995876860210 15.999 > 13 26 O 0.87501404056292 0.67017136826188 0.39995876860210 15.999 > 13 27 O 0.87590006018772 0.27577363614479 0.12832731646528 15.999 > 14 28 O 0.87590006018772 0.77577363614479 0.12832731646528 15.999 > 14 29 O 0.63331948873973 0.27876464456721 0.45759535232390 15.999 > 1 30 O 0.63331948873973 0.77876464456721 0.45759535232390 15.999 > 1 31 O 0.62409993981228 0.02577363614479 0.37167268353472 15.999 > 2 32 O 0.62409993981228 0.52577363614479 0.37167268353472 15.999 > 2 33 O 0.62409993981228 0.47422636385521 0.87167268353472 15.999 > 3 34 O 0.62409993981228 0.97422636385521 0.87167268353472 15.999 > 3 35 O 0.37590006018772 0.47422636385521 0.62832731646528 15.999 > 4 36 O 0.37590006018772 0.97422636385521 0.62832731646528 15.999 > 4 37 O 0.50000000000000 0.31974343653846 0.25000000000000 15.999 > 5 38 O 0.50000000000000 0.81974343653846 0.25000000000000 15.999 > 5 39 O 0.50000000000000 0.18025656346154 0.75000000000000 15.999 > 6 40 O 0.50000000000000 0.68025656346154 0.75000000000000 15.999 > 6 41 O 0.62498595943708 0.07982863173812 0.60004123139790 15.999 > 7 42 O 0.62498595943708 0.57982863173812 0.60004123139790 15.999 > 7 43 O 0.87501404056292 0.32982863173812 0.89995876860210 15.999 > 8 44 O 0.87501404056292 0.82982863173812 0.89995876860210 15.999 > 8 45 O 0.36668051126027 0.27876464456721 0.04240464767610 15.999 > 9 46 O 0.36668051126027 0.77876464456721 0.04240464767610 15.999 > 9 47 O 0.12498595943707 0.17017136826188 0.10004123139790 15.999 > 10 48 O 0.12498595943707 0.67017136826188 0.10004123139790 15.999 > 10 49 O 0.36668051126027 0.22123535543279 0.54240464767610 15.999 > 11 50 O 0.36668051126027 0.72123535543279 0.54240464767610 15.999 > 11 51 O 0.63331948873973 0.22123535543279 0.95759535232390 15.999 > 12 52 O 0.63331948873973 0.72123535543279 0.95759535232390 15.999 > 12 53 O 0.37501404056292 0.42017136826188 0.39995876860210 15.999 > 13 54 O 0.37501404056292 0.92017136826188 0.39995876860210 15.999 > 13 55 O 0.37590006018772 0.02577363614479 0.12832731646528 15.999 > 14 56 O 0.37590006018772 0.52577363614479 0.12832731646528 15.999 > 14 *57 K 0.14834222073881 0.10460262576039 0.67814079547584 39.098 > 15 58 K 0.14834222073881 0.60460262576039 0.67814079547584 39.098 > 15 59 K 0.35165777926119 0.35460262576039 0.82185920452416 39.098 > 16 60 K 0.35165777926119 0.85460262576039 0.82185920452416 39.098 > 16 61 K 0.85165777926119 0.39539737423961 0.32185920452416 39.098 > 17 62 K 0.85165777926119 0.89539737423961 0.32185920452416 39.098 > 17 63 K 0.64834222073881 0.14539737423961 0.17814079547584 39.098 > 18 64 K 0.64834222073881 0.64539737423961 0.17814079547584 39.098 > 18 65 K 0.64834222073881 0.35460262576039 0.67814079547584 39.098 > 15 66 K 0.64834222073881 0.85460262576039 0.67814079547584 39.098 > 15 67 K 0.85165777926119 0.10460262576039 0.82185920452416 39.098 > 16 68 K 0.85165777926119 0.60460262576039 0.82185920452416 39.098 > 16 69 K 0.35165777926119 0.14539737423961 0.32185920452416 39.098 > 17 70 K 0.35165777926119 0.64539737423961 0.32185920452416 39.098 > 17 71 K 0.14834222073881 0.39539737423961 0.17814079547584 39.098 > 18 72 K 0.14834222073881 0.89539737423961 0.17814079547584 39.098 > 18 *73 Ge 0.96225207895273 0.14081205180669 0.12150193911592 72.640 > 19 74 Ge 0.96225207895273 0.64081205180669 0.12150193911592 72.640 > 19 75 Ge 0.96225207895273 0.35918794819331 0.62150193911592 72.640 > 20 76 Ge 0.96225207895273 0.85918794819331 0.62150193911592 72.640 > 20 77 Ge 0.03774792104727 0.35918794819331 0.87849806088408 72.640 > 21 78 Ge 0.03774792104727 0.85918794819331 0.87849806088408 72.640 > 21 79 Ge 0.03774792104727 0.14081205180669 0.37849806088408 72.640 > 22 80 Ge 0.03774792104727 0.64081205180669 0.37849806088408 72.640 > 22 81 Ge 0.46225207895273 0.39081205180669 0.12150193911592 72.640 > 19 82 Ge 0.46225207895273 0.89081205180669 0.12150193911592 72.640 > 19 83 Ge 0.46225207895273 0.10918794819331 0.62150193911592 72.640 > 20 84 Ge 0.46225207895273 0.60918794819331 0.62150193911592 72.640 > 20 85 Ge 0.53774792104727 0.10918794819331 0.87849806088408 72.640 > 21 86 Ge 0.53774792104727 0.60918794819331 0.87849806088408 72.640 > 21 87 Ge 0.53774792104727 0.39081205180669 0.37849806088408 72.640 > 22 88 Ge 0.53774792104727 0.89081205180669 0.37849806088408 72.640 > 22 *89 Zr 0.75000000000000 0.37500000000000 0.00000000000000 91.224 > 23 90 Zr 0.75000000000000 0.87500000000000 0.00000000000000 91.224 > 23 91 Zr 0.25000000000000 0.37500000000000 0.50000000000000 91.224 > 24 92 Zr 0.25000000000000 0.87500000000000 0.50000000000000 91.224 > 24 93 Zr 0.25000000000000 0.12500000000000 0.00000000000000 91.224 > 23 94 Zr 0.25000000000000 0.62500000000000 0.00000000000000 91.224 > 23 95 Zr 0.75000000000000 0.12500000000000 0.50000000000000 91.224 > 24 96 Zr 0.75000000000000 0.62500000000000 0.50000000000000 91.224 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5375482 0.0000000 0.0006426 0.0000000 3.5547060 0.0000000 0.0006214 0.0000000 3.2426148 -------------------------- Born effective charges -------------------------- 1 O -1.9482109 1.0806743 -0.4585482 1.0281617 -3.0499553 0.7024995 -0.4971160 0.8263188 -1.6343508 2 O -1.8778801 -0.7516525 -0.5033621 -0.7325382 -2.5145160 -0.7353431 -0.3883907 -0.5915563 -1.9780847 3 O -1.8778801 0.7516525 -0.5033621 0.7325382 -2.5145160 0.7353431 -0.3883907 0.5915563 -1.9780847 4 O -1.8778801 -0.7516525 -0.5033621 -0.7325382 -2.5145160 -0.7353431 -0.3883907 -0.5915563 -1.9780847 5 O -1.3137835 0.0000000 0.0625247 0.0000000 -1.4777900 0.0000000 0.1366064 0.0000000 -3.1566916 6 O -1.3137835 0.0000000 0.0625247 0.0000000 -1.4777900 0.0000000 0.1366064 0.0000000 -3.1566916 7 O -3.3306145 -0.1798218 1.0064575 -0.1008359 -1.4853347 0.1249497 0.8613202 0.1238652 -1.7798680 8 O -3.3306145 0.1798218 1.0064575 0.1008359 -1.4853347 -0.1249497 0.8613202 -0.1238652 -1.7798680 9 O -1.9482109 -1.0806743 -0.4585482 -1.0281617 -3.0499553 -0.7024995 -0.4971160 -0.8263188 -1.6343508 10 O -3.3306145 0.1798218 1.0064575 0.1008359 -1.4853347 -0.1249497 0.8613202 -0.1238652 -1.7798680 11 O -1.9482109 1.0806743 -0.4585482 1.0281617 -3.0499553 0.7024995 -0.4971160 0.8263188 -1.6343508 12 O -1.9482109 -1.0806743 -0.4585482 -1.0281617 -3.0499553 -0.7024995 -0.4971160 -0.8263188 -1.6343508 13 O -3.3306145 -0.1798218 1.0064575 -0.1008359 -1.4853347 0.1249497 0.8613202 0.1238652 -1.7798680 14 O -1.8778801 0.7516525 -0.5033621 0.7325382 -2.5145160 0.7353431 -0.3883907 0.5915563 -1.9780847 15 K 1.1799154 -0.0163754 -0.0382200 -0.0057829 1.2120346 0.0311650 -0.0420044 0.0113598 1.2736911 16 K 1.1799154 0.0163754 -0.0382200 0.0057829 1.2120346 -0.0311650 -0.0420044 -0.0113598 1.2736911 17 K 1.1799154 -0.0163754 -0.0382200 -0.0057829 1.2120346 0.0311650 -0.0420044 0.0113598 1.2736911 18 K 1.1799154 0.0163754 -0.0382200 0.0057829 1.2120346 -0.0311650 -0.0420044 -0.0113598 1.2736911 19 Ge 3.6243795 0.1617139 0.1320984 -0.0326883 3.5519165 0.4288324 -0.0689007 -0.4789697 3.4205309 20 Ge 3.6243795 -0.1617139 0.1320984 0.0326883 3.5519165 -0.4288324 -0.0689007 0.4789697 3.4205309 21 Ge 3.6243795 0.1617139 0.1320984 -0.0326883 3.5519165 0.4288324 -0.0689007 -0.4789697 3.4205309 22 Ge 3.6243795 -0.1617139 0.1320984 0.0326883 3.5519165 -0.4288324 -0.0689007 0.4789697 3.4205309 23 Zr 6.0186047 0.0008984 -0.3393757 0.4172978 6.0494996 -0.9348270 0.1335766 0.6083017 4.5528546 24 Zr 6.0186047 -0.0008984 -0.3393757 -0.4172978 6.0494996 0.9348270 0.1335766 -0.6083017 4.5528546 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 12528/12528 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2711 Number of blocks in projector: 2711 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: 582 Use submatrix version of eigh solver. (1) Block: 582 / 582 (2) Block: 250 / 582 (2) 237 eigenvectors found. (2) Block: 500 / 582 (2) 239 eigenvectors found. (2) Block: 582 / 582 (2) 76 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 569 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 574 Use submatrix version of eigh solver. (1) Block: 574 / 574 (2) Block: 250 / 574 (2) 238 eigenvectors found. (2) Block: 500 / 574 (2) 238 eigenvectors found. (2) Block: 574 / 574 (2) 62 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 562 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 574 Use submatrix version of eigh solver. (1) Block: 574 / 574 (2) Block: 250 / 574 (2) 238 eigenvectors found. (2) Block: 500 / 574 (2) 238 eigenvectors found. (2) Block: 574 / 574 (2) 62 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 562 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 327 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 327 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 327 Use standard eigh solver. Tree of FC basis block matrices: - (2711, 2653), data: False |-- (327, 320), data: True |-- (327, 320), data: True |-- (327, 320), data: True |-- (574, 562), data: False |-- (574, 562), data: False |-- (574, 24), data: (574, 36) @ (36, 24) |-- (74, 62), data: True |-- (250, 238), data: True |-- (250, 238), data: True |-- (574, 562), data: False |-- (574, 562), data: False |-- (574, 24), data: (574, 36) @ (36, 24) |-- (74, 62), data: True |-- (250, 238), data: True |-- (250, 238), data: True |-- (582, 569), data: False |-- (582, 569), data: False |-- (582, 17), data: (582, 30) @ (30, 17) |-- (82, 76), data: True |-- (250, 239), data: True |-- (250, 237), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 720 - Time: 0.777 Solver_block: 200 / 720 - Time: 0.728 Solver_block: 300 / 720 - Time: 0.745 Solver_block: 400 / 720 - Time: 0.725 Solver_block: 500 / 720 - Time: 0.725 Solver_block: 600 / 720 - Time: 0.728 Solver_block: 700 / 720 - Time: 0.732 Solver_block: 720 / 720 - Time: 0.261 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.528 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 12528/12528 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2711 Number of blocks in projector: 2711 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: 582 Use submatrix version of eigh solver. (1) Block: 582 / 582 (2) Block: 250 / 582 (2) 237 eigenvectors found. (2) Block: 500 / 582 (2) 239 eigenvectors found. (2) Block: 582 / 582 (2) 76 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 569 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 574 Use submatrix version of eigh solver. (1) Block: 574 / 574 (2) Block: 250 / 574 (2) 238 eigenvectors found. (2) Block: 500 / 574 (2) 238 eigenvectors found. (2) Block: 574 / 574 (2) 62 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 562 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 574 Use submatrix version of eigh solver. (1) Block: 574 / 574 (2) Block: 250 / 574 (2) 238 eigenvectors found. (2) Block: 500 / 574 (2) 238 eigenvectors found. (2) Block: 574 / 574 (2) 62 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 562 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 327 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 327 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 327 Use standard eigh solver. Tree of FC basis block matrices: - (2711, 2653), data: False |-- (327, 320), data: True |-- (327, 320), data: True |-- (327, 320), data: True |-- (574, 562), data: False |-- (574, 562), data: False |-- (574, 24), data: (574, 36) @ (36, 24) |-- (74, 62), data: True |-- (250, 238), data: True |-- (250, 238), data: True |-- (574, 562), data: False |-- (574, 562), data: False |-- (574, 24), data: (574, 36) @ (36, 24) |-- (74, 62), data: True |-- (250, 238), data: True |-- (250, 238), data: True |-- (582, 569), data: False |-- (582, 569), data: False |-- (582, 17), data: (582, 30) @ (30, 17) |-- (82, 76), data: True |-- (250, 239), data: True |-- (250, 237), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 02:31:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 02:31:40]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.001779010253572 -2.789650855000000 0.000000000000000 b 5.001779010253572 2.789650855000000 0.000000000000000 c -3.360535400441021 0.000000000000000 12.542903509269117 Atomic positions (fractional): 1 O 0.07579019960530 0.19084877787416 0.45759535232390 15.999 2 O 0.57255266752270 0.67564721210187 0.37167268353472 15.999 3 O 0.67564721210187 0.57255266752270 0.87167268353472 15.999 4 O 0.42744733247730 0.32435278789813 0.62832731646528 15.999 5 O 0.86051312692307 0.13948687307693 0.25000000000000 15.999 6 O 0.13948687307693 0.86051312692307 0.75000000000000 15.999 7 O 0.46532869596084 0.78464322291331 0.60004123139790 15.999 8 O 0.21535677708669 0.53467130403916 0.89995876860210 15.999 9 O 0.80915122212584 0.92420980039470 0.04240464767610 15.999 10 O 0.78464322291331 0.46532869596084 0.10004123139790 15.999 11 O 0.92420980039470 0.80915122212584 0.54240464767610 15.999 12 O 0.19084877787416 0.07579019960530 0.95759535232390 15.999 13 O 0.53467130403916 0.21535677708669 0.39995876860210 15.999 14 O 0.32435278789813 0.42744733247730 0.12832731646528 15.999 15 K 0.93913696921804 0.35754747225959 0.67814079547584 39.098 16 K 0.64245252774041 0.06086303078196 0.82185920452416 39.098 17 K 0.06086303078196 0.64245252774041 0.32185920452416 39.098 18 K 0.35754747225959 0.93913696921804 0.17814079547584 39.098 19 Ge 0.68062797533935 0.24387618256610 0.12150193911592 72.640 20 Ge 0.24387618256610 0.68062797533935 0.62150193911592 72.640 21 Ge 0.31937202466065 0.75612381743390 0.87849806088408 72.640 22 Ge 0.75612381743390 0.31937202466065 0.37849806088408 72.640 23 Zr 0.00000000000000 0.50000000000000 0.00000000000000 91.224 24 Zr 0.50000000000000 0.00000000000000 0.50000000000000 91.224 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.003558020507144 0.000000000000000 0.000000000000000 b 0.000000000000000 11.158603419999999 0.000000000000000 c -3.360535400441021 0.000000000000000 12.542903509269117 Atomic positions (fractional): 1 O 0.13331948873973 0.02876464456721 0.45759535232390 15.999 > 1 2 O 0.13331948873973 0.52876464456721 0.45759535232390 15.999 > 1 3 O 0.12409993981228 0.27577363614479 0.37167268353472 15.999 > 3 4 O 0.12409993981228 0.77577363614479 0.37167268353472 15.999 > 3 5 O 0.12409993981228 0.22422636385521 0.87167268353472 15.999 > 5 6 O 0.12409993981228 0.72422636385521 0.87167268353472 15.999 > 5 7 O 0.87590006018772 0.22422636385521 0.62832731646528 15.999 > 7 8 O 0.87590006018772 0.72422636385521 0.62832731646528 15.999 > 7 9 O 0.00000000000000 0.06974343653846 0.25000000000000 15.999 > 9 10 O 0.00000000000000 0.56974343653846 0.25000000000000 15.999 > 9 11 O 0.00000000000000 0.43025656346154 0.75000000000000 15.999 > 11 12 O 0.00000000000000 0.93025656346154 0.75000000000000 15.999 > 11 13 O 0.12498595943707 0.32982863173812 0.60004123139790 15.999 > 13 14 O 0.12498595943707 0.82982863173812 0.60004123139790 15.999 > 13 15 O 0.37501404056292 0.07982863173812 0.89995876860210 15.999 > 15 16 O 0.37501404056292 0.57982863173812 0.89995876860210 15.999 > 15 17 O 0.86668051126027 0.02876464456721 0.04240464767610 15.999 > 17 18 O 0.86668051126027 0.52876464456721 0.04240464767610 15.999 > 17 19 O 0.62498595943708 0.42017136826188 0.10004123139790 15.999 > 19 20 O 0.62498595943708 0.92017136826188 0.10004123139790 15.999 > 19 21 O 0.86668051126027 0.47123535543279 0.54240464767610 15.999 > 21 22 O 0.86668051126027 0.97123535543279 0.54240464767610 15.999 > 21 23 O 0.13331948873973 0.47123535543279 0.95759535232390 15.999 > 23 24 O 0.13331948873973 0.97123535543279 0.95759535232390 15.999 > 23 25 O 0.87501404056292 0.17017136826188 0.39995876860210 15.999 > 25 26 O 0.87501404056292 0.67017136826188 0.39995876860210 15.999 > 25 27 O 0.87590006018772 0.27577363614479 0.12832731646528 15.999 > 27 28 O 0.87590006018772 0.77577363614479 0.12832731646528 15.999 > 27 29 O 0.63331948873973 0.27876464456721 0.45759535232390 15.999 > 1 30 O 0.63331948873973 0.77876464456721 0.45759535232390 15.999 > 1 31 O 0.62409993981228 0.02577363614479 0.37167268353472 15.999 > 3 32 O 0.62409993981228 0.52577363614479 0.37167268353472 15.999 > 3 33 O 0.62409993981228 0.47422636385521 0.87167268353472 15.999 > 5 34 O 0.62409993981228 0.97422636385521 0.87167268353472 15.999 > 5 35 O 0.37590006018772 0.47422636385521 0.62832731646528 15.999 > 7 36 O 0.37590006018772 0.97422636385521 0.62832731646528 15.999 > 7 37 O 0.50000000000000 0.31974343653846 0.25000000000000 15.999 > 9 38 O 0.50000000000000 0.81974343653846 0.25000000000000 15.999 > 9 39 O 0.50000000000000 0.18025656346154 0.75000000000000 15.999 > 11 40 O 0.50000000000000 0.68025656346154 0.75000000000000 15.999 > 11 41 O 0.62498595943708 0.07982863173812 0.60004123139790 15.999 > 13 42 O 0.62498595943708 0.57982863173812 0.60004123139790 15.999 > 13 43 O 0.87501404056292 0.32982863173812 0.89995876860210 15.999 > 15 44 O 0.87501404056292 0.82982863173812 0.89995876860210 15.999 > 15 45 O 0.36668051126027 0.27876464456721 0.04240464767610 15.999 > 17 46 O 0.36668051126027 0.77876464456721 0.04240464767610 15.999 > 17 47 O 0.12498595943707 0.17017136826188 0.10004123139790 15.999 > 19 48 O 0.12498595943707 0.67017136826188 0.10004123139790 15.999 > 19 49 O 0.36668051126027 0.22123535543279 0.54240464767610 15.999 > 21 50 O 0.36668051126027 0.72123535543279 0.54240464767610 15.999 > 21 51 O 0.63331948873973 0.22123535543279 0.95759535232390 15.999 > 23 52 O 0.63331948873973 0.72123535543279 0.95759535232390 15.999 > 23 53 O 0.37501404056292 0.42017136826188 0.39995876860210 15.999 > 25 54 O 0.37501404056292 0.92017136826188 0.39995876860210 15.999 > 25 55 O 0.37590006018772 0.02577363614479 0.12832731646528 15.999 > 27 56 O 0.37590006018772 0.52577363614479 0.12832731646528 15.999 > 27 57 K 0.14834222073881 0.10460262576039 0.67814079547584 39.098 > 57 58 K 0.14834222073881 0.60460262576039 0.67814079547584 39.098 > 57 59 K 0.35165777926119 0.35460262576039 0.82185920452416 39.098 > 59 60 K 0.35165777926119 0.85460262576039 0.82185920452416 39.098 > 59 61 K 0.85165777926119 0.39539737423961 0.32185920452416 39.098 > 61 62 K 0.85165777926119 0.89539737423961 0.32185920452416 39.098 > 61 63 K 0.64834222073881 0.14539737423961 0.17814079547584 39.098 > 63 64 K 0.64834222073881 0.64539737423961 0.17814079547584 39.098 > 63 65 K 0.64834222073881 0.35460262576039 0.67814079547584 39.098 > 57 66 K 0.64834222073881 0.85460262576039 0.67814079547584 39.098 > 57 67 K 0.85165777926119 0.10460262576039 0.82185920452416 39.098 > 59 68 K 0.85165777926119 0.60460262576039 0.82185920452416 39.098 > 59 69 K 0.35165777926119 0.14539737423961 0.32185920452416 39.098 > 61 70 K 0.35165777926119 0.64539737423961 0.32185920452416 39.098 > 61 71 K 0.14834222073881 0.39539737423961 0.17814079547584 39.098 > 63 72 K 0.14834222073881 0.89539737423961 0.17814079547584 39.098 > 63 73 Ge 0.96225207895273 0.14081205180669 0.12150193911592 72.640 > 73 74 Ge 0.96225207895273 0.64081205180669 0.12150193911592 72.640 > 73 75 Ge 0.96225207895273 0.35918794819331 0.62150193911592 72.640 > 75 76 Ge 0.96225207895273 0.85918794819331 0.62150193911592 72.640 > 75 77 Ge 0.03774792104727 0.35918794819331 0.87849806088408 72.640 > 77 78 Ge 0.03774792104727 0.85918794819331 0.87849806088408 72.640 > 77 79 Ge 0.03774792104727 0.14081205180669 0.37849806088408 72.640 > 79 80 Ge 0.03774792104727 0.64081205180669 0.37849806088408 72.640 > 79 81 Ge 0.46225207895273 0.39081205180669 0.12150193911592 72.640 > 73 82 Ge 0.46225207895273 0.89081205180669 0.12150193911592 72.640 > 73 83 Ge 0.46225207895273 0.10918794819331 0.62150193911592 72.640 > 75 84 Ge 0.46225207895273 0.60918794819331 0.62150193911592 72.640 > 75 85 Ge 0.53774792104727 0.10918794819331 0.87849806088408 72.640 > 77 86 Ge 0.53774792104727 0.60918794819331 0.87849806088408 72.640 > 77 87 Ge 0.53774792104727 0.39081205180669 0.37849806088408 72.640 > 79 88 Ge 0.53774792104727 0.89081205180669 0.37849806088408 72.640 > 79 89 Zr 0.75000000000000 0.37500000000000 0.00000000000000 91.224 > 89 90 Zr 0.75000000000000 0.87500000000000 0.00000000000000 91.224 > 89 91 Zr 0.25000000000000 0.37500000000000 0.50000000000000 91.224 > 91 92 Zr 0.25000000000000 0.87500000000000 0.50000000000000 91.224 > 91 93 Zr 0.25000000000000 0.12500000000000 0.00000000000000 91.224 > 89 94 Zr 0.25000000000000 0.62500000000000 0.00000000000000 91.224 > 89 95 Zr 0.75000000000000 0.12500000000000 0.50000000000000 91.224 > 91 96 Zr 0.75000000000000 0.62500000000000 0.50000000000000 91.224 > 91 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5375482 0.0000000 0.0006426 0.0000000 3.5547060 0.0000000 0.0006214 0.0000000 3.2426148 -------------------------- Born effective charges -------------------------- 1 O -1.9482109 1.0806743 -0.4585482 1.0281617 -3.0499553 0.7024995 -0.4971160 0.8263188 -1.6343508 2 O -1.8778801 -0.7516525 -0.5033621 -0.7325382 -2.5145160 -0.7353431 -0.3883907 -0.5915563 -1.9780847 3 O -1.8778801 0.7516525 -0.5033621 0.7325382 -2.5145160 0.7353431 -0.3883907 0.5915563 -1.9780847 4 O -1.8778801 -0.7516525 -0.5033621 -0.7325382 -2.5145160 -0.7353431 -0.3883907 -0.5915563 -1.9780847 5 O -1.3137835 0.0000000 0.0625247 0.0000000 -1.4777900 0.0000000 0.1366064 0.0000000 -3.1566916 6 O -1.3137835 0.0000000 0.0625247 0.0000000 -1.4777900 0.0000000 0.1366064 0.0000000 -3.1566916 7 O -3.3306145 -0.1798218 1.0064575 -0.1008359 -1.4853347 0.1249497 0.8613202 0.1238652 -1.7798680 8 O -3.3306145 0.1798218 1.0064575 0.1008359 -1.4853347 -0.1249497 0.8613202 -0.1238652 -1.7798680 9 O -1.9482109 -1.0806743 -0.4585482 -1.0281617 -3.0499553 -0.7024995 -0.4971160 -0.8263188 -1.6343508 10 O -3.3306145 0.1798218 1.0064575 0.1008359 -1.4853347 -0.1249497 0.8613202 -0.1238652 -1.7798680 11 O -1.9482109 1.0806743 -0.4585482 1.0281617 -3.0499553 0.7024995 -0.4971160 0.8263188 -1.6343508 12 O -1.9482109 -1.0806743 -0.4585482 -1.0281617 -3.0499553 -0.7024995 -0.4971160 -0.8263188 -1.6343508 13 O -3.3306145 -0.1798218 1.0064575 -0.1008359 -1.4853347 0.1249497 0.8613202 0.1238652 -1.7798680 14 O -1.8778801 0.7516525 -0.5033621 0.7325382 -2.5145160 0.7353431 -0.3883907 0.5915563 -1.9780847 15 K 1.1799154 -0.0163754 -0.0382200 -0.0057829 1.2120346 0.0311650 -0.0420044 0.0113598 1.2736911 16 K 1.1799154 0.0163754 -0.0382200 0.0057829 1.2120346 -0.0311650 -0.0420044 -0.0113598 1.2736911 17 K 1.1799154 -0.0163754 -0.0382200 -0.0057829 1.2120346 0.0311650 -0.0420044 0.0113598 1.2736911 18 K 1.1799154 0.0163754 -0.0382200 0.0057829 1.2120346 -0.0311650 -0.0420044 -0.0113598 1.2736911 19 Ge 3.6243795 0.1617139 0.1320984 -0.0326883 3.5519165 0.4288324 -0.0689007 -0.4789697 3.4205309 20 Ge 3.6243795 -0.1617139 0.1320984 0.0326883 3.5519165 -0.4288324 -0.0689007 0.4789697 3.4205309 21 Ge 3.6243795 0.1617139 0.1320984 -0.0326883 3.5519165 0.4288324 -0.0689007 -0.4789697 3.4205309 22 Ge 3.6243795 -0.1617139 0.1320984 0.0326883 3.5519165 -0.4288324 -0.0689007 0.4789697 3.4205309 23 Zr 6.0186047 0.0008984 -0.3393757 0.4172978 6.0494996 -0.9348270 0.1335766 0.6083017 4.5528546 24 Zr 6.0186047 -0.0008984 -0.3393757 -0.4172978 6.0494996 0.9348270 0.1335766 -0.6083017 4.5528546 ---------------------------------------------------------------------------- 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] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] Computing fc3[ 3, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] Computing fc3[ 13, 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] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] 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] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] Computing fc3[ 89, 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] [-0.0026 0.0000 0.0097] [ 0.0026 0.0000 -0.0097] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yxz) -0.00000000 (yxz) -0.00000000 (yzx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000004 (yx) -0.00000004 (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 02:32:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 02:32:08]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.001779010253572 -2.789650855000000 0.000000000000000 b 5.001779010253572 2.789650855000000 0.000000000000000 c -3.360535400441021 0.000000000000000 12.542903509269117 Atomic positions (fractional): 1 O 0.07579019960530 0.19084877787416 0.45759535232390 15.999 2 O 0.57255266752270 0.67564721210187 0.37167268353472 15.999 3 O 0.67564721210187 0.57255266752270 0.87167268353472 15.999 4 O 0.42744733247730 0.32435278789813 0.62832731646528 15.999 5 O 0.86051312692307 0.13948687307693 0.25000000000000 15.999 6 O 0.13948687307693 0.86051312692307 0.75000000000000 15.999 7 O 0.46532869596084 0.78464322291331 0.60004123139790 15.999 8 O 0.21535677708669 0.53467130403916 0.89995876860210 15.999 9 O 0.80915122212584 0.92420980039470 0.04240464767610 15.999 10 O 0.78464322291331 0.46532869596084 0.10004123139790 15.999 11 O 0.92420980039470 0.80915122212584 0.54240464767610 15.999 12 O 0.19084877787416 0.07579019960530 0.95759535232390 15.999 13 O 0.53467130403916 0.21535677708669 0.39995876860210 15.999 14 O 0.32435278789813 0.42744733247730 0.12832731646528 15.999 15 K 0.93913696921804 0.35754747225959 0.67814079547584 39.098 16 K 0.64245252774041 0.06086303078196 0.82185920452416 39.098 17 K 0.06086303078196 0.64245252774041 0.32185920452416 39.098 18 K 0.35754747225959 0.93913696921804 0.17814079547584 39.098 19 Ge 0.68062797533935 0.24387618256610 0.12150193911592 72.640 20 Ge 0.24387618256610 0.68062797533935 0.62150193911592 72.640 21 Ge 0.31937202466065 0.75612381743390 0.87849806088408 72.640 22 Ge 0.75612381743390 0.31937202466065 0.37849806088408 72.640 23 Zr 0.00000000000000 0.50000000000000 0.00000000000000 91.224 24 Zr 0.50000000000000 0.00000000000000 0.50000000000000 91.224 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.003558020507144 0.000000000000000 0.000000000000000 b 0.000000000000000 11.158603419999999 0.000000000000000 c -3.360535400441021 0.000000000000000 12.542903509269117 Atomic positions (fractional): 1 O 0.13331948873973 0.02876464456721 0.45759535232390 15.999 > 1 2 O 0.13331948873973 0.52876464456721 0.45759535232390 15.999 > 1 3 O 0.12409993981228 0.27577363614479 0.37167268353472 15.999 > 3 4 O 0.12409993981228 0.77577363614479 0.37167268353472 15.999 > 3 5 O 0.12409993981228 0.22422636385521 0.87167268353472 15.999 > 5 6 O 0.12409993981228 0.72422636385521 0.87167268353472 15.999 > 5 7 O 0.87590006018772 0.22422636385521 0.62832731646528 15.999 > 7 8 O 0.87590006018772 0.72422636385521 0.62832731646528 15.999 > 7 9 O 0.00000000000000 0.06974343653846 0.25000000000000 15.999 > 9 10 O 0.00000000000000 0.56974343653846 0.25000000000000 15.999 > 9 11 O 0.00000000000000 0.43025656346154 0.75000000000000 15.999 > 11 12 O 0.00000000000000 0.93025656346154 0.75000000000000 15.999 > 11 13 O 0.12498595943707 0.32982863173812 0.60004123139790 15.999 > 13 14 O 0.12498595943707 0.82982863173812 0.60004123139790 15.999 > 13 15 O 0.37501404056292 0.07982863173812 0.89995876860210 15.999 > 15 16 O 0.37501404056292 0.57982863173812 0.89995876860210 15.999 > 15 17 O 0.86668051126027 0.02876464456721 0.04240464767610 15.999 > 17 18 O 0.86668051126027 0.52876464456721 0.04240464767610 15.999 > 17 19 O 0.62498595943708 0.42017136826188 0.10004123139790 15.999 > 19 20 O 0.62498595943708 0.92017136826188 0.10004123139790 15.999 > 19 21 O 0.86668051126027 0.47123535543279 0.54240464767610 15.999 > 21 22 O 0.86668051126027 0.97123535543279 0.54240464767610 15.999 > 21 23 O 0.13331948873973 0.47123535543279 0.95759535232390 15.999 > 23 24 O 0.13331948873973 0.97123535543279 0.95759535232390 15.999 > 23 25 O 0.87501404056292 0.17017136826188 0.39995876860210 15.999 > 25 26 O 0.87501404056292 0.67017136826188 0.39995876860210 15.999 > 25 27 O 0.87590006018772 0.27577363614479 0.12832731646528 15.999 > 27 28 O 0.87590006018772 0.77577363614479 0.12832731646528 15.999 > 27 29 O 0.63331948873973 0.27876464456721 0.45759535232390 15.999 > 1 30 O 0.63331948873973 0.77876464456721 0.45759535232390 15.999 > 1 31 O 0.62409993981228 0.02577363614479 0.37167268353472 15.999 > 3 32 O 0.62409993981228 0.52577363614479 0.37167268353472 15.999 > 3 33 O 0.62409993981228 0.47422636385521 0.87167268353472 15.999 > 5 34 O 0.62409993981228 0.97422636385521 0.87167268353472 15.999 > 5 35 O 0.37590006018772 0.47422636385521 0.62832731646528 15.999 > 7 36 O 0.37590006018772 0.97422636385521 0.62832731646528 15.999 > 7 37 O 0.50000000000000 0.31974343653846 0.25000000000000 15.999 > 9 38 O 0.50000000000000 0.81974343653846 0.25000000000000 15.999 > 9 39 O 0.50000000000000 0.18025656346154 0.75000000000000 15.999 > 11 40 O 0.50000000000000 0.68025656346154 0.75000000000000 15.999 > 11 41 O 0.62498595943708 0.07982863173812 0.60004123139790 15.999 > 13 42 O 0.62498595943708 0.57982863173812 0.60004123139790 15.999 > 13 43 O 0.87501404056292 0.32982863173812 0.89995876860210 15.999 > 15 44 O 0.87501404056292 0.82982863173812 0.89995876860210 15.999 > 15 45 O 0.36668051126027 0.27876464456721 0.04240464767610 15.999 > 17 46 O 0.36668051126027 0.77876464456721 0.04240464767610 15.999 > 17 47 O 0.12498595943707 0.17017136826188 0.10004123139790 15.999 > 19 48 O 0.12498595943707 0.67017136826188 0.10004123139790 15.999 > 19 49 O 0.36668051126027 0.22123535543279 0.54240464767610 15.999 > 21 50 O 0.36668051126027 0.72123535543279 0.54240464767610 15.999 > 21 51 O 0.63331948873973 0.22123535543279 0.95759535232390 15.999 > 23 52 O 0.63331948873973 0.72123535543279 0.95759535232390 15.999 > 23 53 O 0.37501404056292 0.42017136826188 0.39995876860210 15.999 > 25 54 O 0.37501404056292 0.92017136826188 0.39995876860210 15.999 > 25 55 O 0.37590006018772 0.02577363614479 0.12832731646528 15.999 > 27 56 O 0.37590006018772 0.52577363614479 0.12832731646528 15.999 > 27 57 K 0.14834222073881 0.10460262576039 0.67814079547584 39.098 > 57 58 K 0.14834222073881 0.60460262576039 0.67814079547584 39.098 > 57 59 K 0.35165777926119 0.35460262576039 0.82185920452416 39.098 > 59 60 K 0.35165777926119 0.85460262576039 0.82185920452416 39.098 > 59 61 K 0.85165777926119 0.39539737423961 0.32185920452416 39.098 > 61 62 K 0.85165777926119 0.89539737423961 0.32185920452416 39.098 > 61 63 K 0.64834222073881 0.14539737423961 0.17814079547584 39.098 > 63 64 K 0.64834222073881 0.64539737423961 0.17814079547584 39.098 > 63 65 K 0.64834222073881 0.35460262576039 0.67814079547584 39.098 > 57 66 K 0.64834222073881 0.85460262576039 0.67814079547584 39.098 > 57 67 K 0.85165777926119 0.10460262576039 0.82185920452416 39.098 > 59 68 K 0.85165777926119 0.60460262576039 0.82185920452416 39.098 > 59 69 K 0.35165777926119 0.14539737423961 0.32185920452416 39.098 > 61 70 K 0.35165777926119 0.64539737423961 0.32185920452416 39.098 > 61 71 K 0.14834222073881 0.39539737423961 0.17814079547584 39.098 > 63 72 K 0.14834222073881 0.89539737423961 0.17814079547584 39.098 > 63 73 Ge 0.96225207895273 0.14081205180669 0.12150193911592 72.640 > 73 74 Ge 0.96225207895273 0.64081205180669 0.12150193911592 72.640 > 73 75 Ge 0.96225207895273 0.35918794819331 0.62150193911592 72.640 > 75 76 Ge 0.96225207895273 0.85918794819331 0.62150193911592 72.640 > 75 77 Ge 0.03774792104727 0.35918794819331 0.87849806088408 72.640 > 77 78 Ge 0.03774792104727 0.85918794819331 0.87849806088408 72.640 > 77 79 Ge 0.03774792104727 0.14081205180669 0.37849806088408 72.640 > 79 80 Ge 0.03774792104727 0.64081205180669 0.37849806088408 72.640 > 79 81 Ge 0.46225207895273 0.39081205180669 0.12150193911592 72.640 > 73 82 Ge 0.46225207895273 0.89081205180669 0.12150193911592 72.640 > 73 83 Ge 0.46225207895273 0.10918794819331 0.62150193911592 72.640 > 75 84 Ge 0.46225207895273 0.60918794819331 0.62150193911592 72.640 > 75 85 Ge 0.53774792104727 0.10918794819331 0.87849806088408 72.640 > 77 86 Ge 0.53774792104727 0.60918794819331 0.87849806088408 72.640 > 77 87 Ge 0.53774792104727 0.39081205180669 0.37849806088408 72.640 > 79 88 Ge 0.53774792104727 0.89081205180669 0.37849806088408 72.640 > 79 89 Zr 0.75000000000000 0.37500000000000 0.00000000000000 91.224 > 89 90 Zr 0.75000000000000 0.87500000000000 0.00000000000000 91.224 > 89 91 Zr 0.25000000000000 0.37500000000000 0.50000000000000 91.224 > 91 92 Zr 0.25000000000000 0.87500000000000 0.50000000000000 91.224 > 91 93 Zr 0.25000000000000 0.12500000000000 0.00000000000000 91.224 > 89 94 Zr 0.25000000000000 0.62500000000000 0.00000000000000 91.224 > 89 95 Zr 0.75000000000000 0.12500000000000 0.50000000000000 91.224 > 91 96 Zr 0.75000000000000 0.62500000000000 0.50000000000000 91.224 > 91 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.5375482 0.0000000 0.0006426 0.0000000 3.5547060 0.0000000 0.0006214 0.0000000 3.2426148 -------------------------- Born effective charges -------------------------- 1 O -1.9482109 1.0806743 -0.4585482 1.0281617 -3.0499553 0.7024995 -0.4971160 0.8263188 -1.6343508 2 O -1.8778801 -0.7516525 -0.5033621 -0.7325382 -2.5145160 -0.7353431 -0.3883907 -0.5915563 -1.9780847 3 O -1.8778801 0.7516525 -0.5033621 0.7325382 -2.5145160 0.7353431 -0.3883907 0.5915563 -1.9780847 4 O -1.8778801 -0.7516525 -0.5033621 -0.7325382 -2.5145160 -0.7353431 -0.3883907 -0.5915563 -1.9780847 5 O -1.3137835 0.0000000 0.0625247 0.0000000 -1.4777900 0.0000000 0.1366064 0.0000000 -3.1566916 6 O -1.3137835 0.0000000 0.0625247 0.0000000 -1.4777900 0.0000000 0.1366064 0.0000000 -3.1566916 7 O -3.3306145 -0.1798218 1.0064575 -0.1008359 -1.4853347 0.1249497 0.8613202 0.1238652 -1.7798680 8 O -3.3306145 0.1798218 1.0064575 0.1008359 -1.4853347 -0.1249497 0.8613202 -0.1238652 -1.7798680 9 O -1.9482109 -1.0806743 -0.4585482 -1.0281617 -3.0499553 -0.7024995 -0.4971160 -0.8263188 -1.6343508 10 O -3.3306145 0.1798218 1.0064575 0.1008359 -1.4853347 -0.1249497 0.8613202 -0.1238652 -1.7798680 11 O -1.9482109 1.0806743 -0.4585482 1.0281617 -3.0499553 0.7024995 -0.4971160 0.8263188 -1.6343508 12 O -1.9482109 -1.0806743 -0.4585482 -1.0281617 -3.0499553 -0.7024995 -0.4971160 -0.8263188 -1.6343508 13 O -3.3306145 -0.1798218 1.0064575 -0.1008359 -1.4853347 0.1249497 0.8613202 0.1238652 -1.7798680 14 O -1.8778801 0.7516525 -0.5033621 0.7325382 -2.5145160 0.7353431 -0.3883907 0.5915563 -1.9780847 15 K 1.1799154 -0.0163754 -0.0382200 -0.0057829 1.2120346 0.0311650 -0.0420044 0.0113598 1.2736911 16 K 1.1799154 0.0163754 -0.0382200 0.0057829 1.2120346 -0.0311650 -0.0420044 -0.0113598 1.2736911 17 K 1.1799154 -0.0163754 -0.0382200 -0.0057829 1.2120346 0.0311650 -0.0420044 0.0113598 1.2736911 18 K 1.1799154 0.0163754 -0.0382200 0.0057829 1.2120346 -0.0311650 -0.0420044 -0.0113598 1.2736911 19 Ge 3.6243795 0.1617139 0.1320984 -0.0326883 3.5519165 0.4288324 -0.0689007 -0.4789697 3.4205309 20 Ge 3.6243795 -0.1617139 0.1320984 0.0326883 3.5519165 -0.4288324 -0.0689007 0.4789697 3.4205309 21 Ge 3.6243795 0.1617139 0.1320984 -0.0326883 3.5519165 0.4288324 -0.0689007 -0.4789697 3.4205309 22 Ge 3.6243795 -0.1617139 0.1320984 0.0326883 3.5519165 -0.4288324 -0.0689007 0.4789697 3.4205309 23 Zr 6.0186047 0.0008984 -0.3393757 0.4172978 6.0494996 -0.9348270 0.1335766 0.6083017 4.5528546 24 Zr 6.0186047 -0.0008984 -0.3393757 -0.4172978 6.0494996 0.9348270 0.1335766 -0.6083017 4.5528546 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yxz) -0.00000000 (yxz) -0.00000000 (yzx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- 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 ... [ 10 10 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.59, Number of G-points: 299, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/117) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.442 ( 0.000 0.000 0.000) 0.000 1.763 ( 0.000 0.000 0.000) 0.000 2.213 ( 0.000 0.000 0.000) 0.000 2.273 ( 0.000 0.000 0.000) 0.000 2.423 ( 0.000 0.000 0.000) 0.000 2.501 ( 0.000 0.000 0.000) 0.000 2.821 ( 0.000 0.000 0.000) 0.000 3.027 ( 0.000 0.000 0.000) 0.000 3.076 ( 0.000 0.000 0.000) 0.000 3.492 ( 0.000 0.000 0.000) 0.000 3.598 ( 0.000 0.000 0.000) 0.000 3.601 ( 0.000 0.000 0.000) 0.000 3.642 ( 0.000 0.000 0.000) 0.000 3.843 ( 0.000 0.000 0.000) 0.000 3.870 ( 0.000 0.000 0.000) 0.000 3.898 ( 0.000 0.000 0.000) 0.000 4.007 ( 0.000 0.000 0.000) 0.000 4.607 ( 0.000 0.000 0.000) 0.000 4.702 ( 0.000 0.000 0.000) 0.000 4.800 ( 0.000 0.000 0.000) 0.000 4.827 ( 0.000 0.000 0.000) 0.000 5.459 ( 0.000 0.000 0.000) 0.000 5.817 ( 0.000 0.000 0.000) 0.000 5.841 ( 0.000 0.000 0.000) 0.000 5.929 ( 0.000 0.000 0.000) 0.000 6.254 ( 0.000 0.000 0.000) 0.000 6.402 ( 0.000 0.000 0.000) 0.000 7.099 ( 0.000 0.000 0.000) 0.000 7.101 ( 0.000 0.000 0.000) 0.000 7.241 ( 0.000 0.000 0.000) 0.000 7.263 ( 0.000 0.000 0.000) 0.000 7.389 ( 0.000 0.000 0.000) 0.000 7.478 ( 0.000 0.000 0.000) 0.000 7.889 ( 0.000 0.000 0.000) 0.000 7.970 ( 0.000 0.000 0.000) 0.000 8.467 ( 0.000 0.000 0.000) 0.000 8.583 ( 0.000 0.000 0.000) 0.000 8.725 ( 0.000 0.000 0.000) 0.000 8.845 ( 0.000 0.000 0.000) 0.000 8.866 ( 0.000 0.000 0.000) 0.000 9.154 ( 0.000 0.000 0.000) 0.000 9.350 ( 0.000 0.000 0.000) 0.000 9.814 ( 0.000 0.000 0.000) 0.000 10.050 ( 0.000 0.000 0.000) 0.000 10.222 ( 0.000 0.000 0.000) 0.000 11.132 ( 0.000 0.000 0.000) 0.000 11.299 ( 0.000 0.000 0.000) 0.000 11.636 ( 0.000 0.000 0.000) 0.000 11.657 ( 0.000 0.000 0.000) 0.000 12.169 ( 0.000 0.000 0.000) 0.000 12.825 ( 0.000 0.000 0.000) 0.000 13.213 ( 0.000 0.000 0.000) 0.000 14.101 ( 0.000 0.000 0.000) 0.000 15.271 ( 0.000 0.000 0.000) 0.000 15.325 ( 0.000 0.000 0.000) 0.000 20.555 ( 0.000 0.000 0.000) 0.000 20.568 ( 0.000 0.000 0.000) 0.000 21.278 ( 0.000 0.000 0.000) 0.000 21.417 ( 0.000 0.000 0.000) 0.000 21.419 ( 0.000 0.000 0.000) 0.000 21.795 ( 0.000 0.000 0.000) 0.000 21.893 ( 0.000 0.000 0.000) 0.000 22.409 ( 0.000 0.000 0.000) 0.000 22.467 ( 0.000 0.000 0.000) 0.000 24.284 ( 0.000 0.000 0.000) 0.000 24.972 ( 0.000 0.000 0.000) 0.000 25.080 ( 0.000 0.000 0.000) 0.000 25.741 ( 0.000 0.000 0.000) 0.000 25.751 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/117) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.577 ( -1.925 -31.013 5.268) 31.516 0.681 ( 27.542 -22.851 -8.780) 36.849 1.198 ( 20.320 -48.791 2.573) 52.916 1.622 ( 13.299 -7.999 3.739) 15.963 1.972 ( 5.425 -9.240 -1.476) 10.816 2.207 ( 0.318 -2.295 7.909) 8.242 2.248 ( 5.838 -1.601 2.983) 6.748 2.455 ( 6.095 0.288 0.457) 6.119 2.646 ( 0.047 -10.469 0.122) 10.470 2.802 ( -4.924 0.895 0.566) 5.036 2.999 ( -2.729 2.762 0.040) 3.883 3.052 ( -2.147 0.718 0.709) 2.372 3.438 ( 2.969 7.667 4.184) 9.225 3.530 ( 2.798 1.820 3.237) 4.650 3.620 ( 5.391 2.334 -9.657) 11.304 3.710 ( 0.450 6.142 3.285) 6.979 3.768 ( 6.531 1.406 -1.727) 6.900 3.915 ( 0.665 -1.632 0.510) 1.835 4.035 ( -0.016 -1.589 6.367) 6.562 4.054 ( 8.652 -8.283 -9.183) 15.093 4.517 ( -5.856 5.201 -5.067) 9.329 4.820 ( -0.138 -3.126 1.460) 3.453 4.838 ( -4.370 -7.478 0.868) 8.705 4.929 ( 2.645 -7.154 -1.224) 7.725 5.546 ( 3.378 -6.202 -0.808) 7.108 5.721 ( -0.043 7.517 2.511) 7.925 5.784 ( 2.185 6.731 -1.351) 7.205 5.986 ( 1.949 -3.036 -0.466) 3.638 6.278 ( -2.005 -2.312 3.443) 4.606 6.462 ( 1.586 -2.333 3.279) 4.325 6.936 ( 2.001 19.714 -0.599) 19.824 7.070 ( 6.087 15.189 2.260) 16.518 7.241 ( -10.813 -3.463 -8.071) 13.930 7.389 ( -13.547 -9.615 -3.554) 16.988 7.500 ( 7.042 -0.495 6.130) 9.350 7.830 ( -5.369 3.739 10.051) 11.993 7.915 ( 3.862 5.618 -10.895) 12.852 8.144 ( -4.427 4.830 -5.568) 8.598 8.571 ( 5.469 -3.174 2.026) 6.640 8.660 ( 5.133 1.096 0.138) 5.251 8.733 ( 2.548 1.861 4.152) 5.215 8.917 ( -4.678 6.389 -4.791) 9.255 9.063 ( 6.550 -7.624 5.771) 11.590 9.394 ( 2.952 -3.321 0.075) 4.444 9.800 ( -3.307 1.199 0.760) 3.598 9.964 ( 12.124 8.325 -5.207) 15.602 10.129 ( -7.188 -3.276 1.745) 8.090 10.260 ( 7.713 -3.337 -13.142) 15.599 11.168 ( 0.113 -3.446 -0.552) 3.492 11.590 ( -6.137 -5.304 -17.777) 19.540 11.689 ( 4.157 0.509 4.081) 5.848 12.092 ( -1.560 -3.178 2.672) 4.436 12.194 ( -3.689 0.741 28.598) 28.845 12.829 ( -3.237 -1.488 0.296) 3.575 13.191 ( -0.740 1.838 0.324) 2.008 13.982 ( -9.911 21.551 -2.385) 23.840 15.463 ( -1.010 -16.049 -0.354) 16.085 15.653 ( -17.619 -12.220 -0.869) 21.459 20.583 ( 2.823 -0.791 -0.419) 2.961 20.895 ( 15.931 6.129 -15.436) 23.013 21.325 ( 4.302 4.122 14.394) 15.578 21.413 ( -1.443 -0.193 0.167) 1.465 21.439 ( 0.885 -1.370 0.085) 1.634 21.800 ( 10.688 6.761 0.073) 12.647 22.382 ( -2.388 2.008 0.263) 3.131 22.421 ( -2.012 3.594 0.085) 4.120 24.113 ( -0.739 5.628 1.837) 5.966 24.427 ( 15.447 -0.773 -1.864) 15.578 25.101 ( -2.467 -2.952 0.484) 3.878 25.493 ( -10.123 12.845 -2.135) 16.494 25.814 ( 2.106 -6.722 0.522) 7.063 26.278 ( -4.109 -18.830 -9.091) 21.309 ======================= Grid point 2 (3/117) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( -0.395 -28.671 0.978) 28.690 1.310 ( 25.489 -20.150 -10.551) 34.162 1.796 ( 0.261 -4.170 4.019) 5.797 1.909 ( 1.958 -7.023 3.898) 8.268 2.075 ( 8.963 -6.510 -0.562) 11.092 2.479 ( 7.158 -6.609 5.702) 11.288 2.500 ( 6.750 3.265 4.143) 8.567 2.610 ( 11.538 -25.337 9.380) 29.378 2.706 ( -0.716 -4.079 -9.360) 10.235 2.825 ( -0.300 2.154 -7.732) 8.032 2.989 ( -2.120 -5.807 8.076) 10.170 3.062 ( -0.499 -9.421 -1.497) 9.552 3.408 ( 5.298 5.936 5.797) 9.844 3.532 ( 9.063 3.883 -2.947) 10.291 3.599 ( 3.673 -4.772 -0.120) 6.023 3.728 ( 3.085 -3.192 -3.636) 5.738 3.816 ( 5.142 -1.371 -5.606) 7.729 3.967 ( 2.908 -2.178 1.035) 3.778 4.010 ( -2.928 -2.429 5.164) 6.414 4.208 ( 4.372 3.337 -3.248) 6.388 4.496 ( 1.717 -8.779 -5.083) 10.288 4.823 ( -3.653 -1.900 -1.057) 4.251 4.977 ( -1.715 -6.360 5.431) 8.537 5.042 ( 1.590 -3.135 -1.162) 3.702 5.626 ( 2.407 1.190 -5.286) 5.929 5.680 ( 2.413 5.032 -1.579) 5.799 5.772 ( 7.655 -8.791 3.246) 12.100 6.026 ( 0.394 1.711 -2.199) 2.814 6.297 ( -1.614 -1.348 5.787) 6.157 6.476 ( 1.621 10.539 6.547) 12.512 6.548 ( -4.369 13.252 1.147) 14.000 6.828 ( 11.467 20.153 0.695) 23.197 7.179 ( -5.154 0.850 -6.624) 8.436 7.366 ( -10.338 -2.149 -4.982) 11.676 7.516 ( -2.700 3.669 4.147) 6.161 7.755 ( -5.534 2.824 -0.870) 6.273 7.807 ( 2.613 2.732 -10.685) 11.334 7.962 ( -2.681 8.067 1.950) 8.722 8.607 ( -4.732 1.144 2.350) 5.406 8.696 ( -3.884 2.256 0.367) 4.507 8.741 ( 3.406 -0.101 5.780) 6.710 8.772 ( 2.691 0.697 1.157) 3.011 9.305 ( 5.440 -7.079 -2.796) 9.355 9.552 ( 7.093 -4.368 2.926) 8.830 9.696 ( -6.601 1.442 1.379) 6.896 9.976 ( -0.650 -1.884 -3.027) 3.625 10.088 ( -3.427 -0.563 1.221) 3.681 10.440 ( 6.701 -12.422 -8.086) 16.266 11.226 ( -0.722 -3.099 -2.117) 3.822 11.589 ( -4.943 -4.653 -8.705) 11.039 11.741 ( 6.801 0.422 2.955) 7.427 12.134 ( 2.043 -0.971 -5.552) 5.995 12.220 ( 0.213 3.002 23.215) 23.410 12.787 ( -5.795 1.734 1.428) 6.215 13.153 ( -0.016 1.323 -0.170) 1.335 13.482 ( -5.190 22.407 -4.273) 23.394 15.691 ( -3.673 -8.929 -1.312) 9.743 15.723 ( -6.413 -11.155 0.995) 12.906 20.640 ( 3.620 -1.970 -0.643) 4.172 20.919 ( 6.017 0.453 -3.772) 7.116 21.336 ( 0.932 0.633 4.349) 4.492 21.396 ( -2.076 0.194 0.909) 2.274 21.471 ( 0.990 -0.983 0.100) 1.399 21.775 ( 13.506 9.827 -0.329) 16.706 22.293 ( -3.851 3.749 -0.312) 5.384 22.325 ( -2.687 3.666 -0.000) 4.546 24.029 ( -5.045 1.342 0.728) 5.271 24.567 ( 9.677 -1.087 -2.429) 10.037 25.080 ( -7.235 3.089 3.485) 8.604 25.222 ( -1.833 7.068 -0.795) 7.345 26.005 ( 2.337 -10.856 0.974) 11.148 26.514 ( 2.849 -10.162 -5.798) 12.042 ======================= Grid point 3 (4/117) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( 4.418 -12.107 -6.825) 14.583 1.807 ( 6.429 -13.505 -4.130) 15.517 1.888 ( -0.243 -9.954 1.842) 10.126 1.932 ( 5.631 -3.292 2.641) 7.037 2.329 ( 6.038 -8.942 2.910) 11.175 2.432 ( 1.722 6.195 1.187) 6.539 2.568 ( 5.093 2.022 2.865) 6.184 2.648 ( -3.331 2.879 -0.795) 4.474 2.826 ( -0.571 -5.514 -3.921) 6.790 2.982 ( -1.577 1.855 5.661) 6.163 3.154 ( 4.756 -8.658 -3.397) 10.446 3.222 ( 2.198 0.315 9.728) 9.978 3.388 ( 6.842 -6.755 -1.932) 9.807 3.592 ( 3.793 2.439 -0.017) 4.509 3.737 ( 1.755 -2.307 0.783) 3.003 3.845 ( 4.403 -2.434 -5.245) 7.268 3.931 ( 9.532 -6.863 0.484) 11.755 4.023 ( 7.571 5.652 -7.055) 11.791 4.223 ( 3.019 -15.752 8.464) 18.135 4.284 ( 4.772 -22.724 -5.060) 23.765 4.667 ( -1.751 -7.587 -0.666) 7.815 4.807 ( -2.848 0.895 1.552) 3.365 5.015 ( 2.520 4.087 -1.583) 5.056 5.078 ( 1.212 -1.516 0.862) 2.123 5.570 ( -8.328 10.033 -3.606) 13.528 5.698 ( 0.271 -3.218 -2.588) 4.138 5.774 ( -0.005 1.641 -0.010) 1.641 6.114 ( 6.054 -3.587 5.558) 8.967 6.224 ( -2.842 4.181 2.360) 5.579 6.383 ( 2.044 6.623 4.929) 8.505 6.428 ( 14.702 3.964 6.628) 16.607 6.651 ( 11.606 11.195 -3.206) 16.441 7.013 ( -5.157 7.599 -8.015) 12.189 7.263 ( -8.786 -0.562 -10.935) 14.039 7.450 ( 0.795 2.179 4.341) 4.922 7.573 ( -10.014 5.728 -2.738) 11.857 7.733 ( -2.547 0.005 -3.457) 4.294 7.995 ( 4.826 -3.004 6.223) 8.429 8.480 ( -7.047 5.835 -2.617) 9.517 8.539 ( -2.845 9.133 0.017) 9.566 8.799 ( -0.975 -2.840 7.481) 8.061 8.860 ( 0.876 -3.743 3.710) 5.342 9.424 ( -6.315 8.010 0.214) 10.202 9.435 ( 2.822 -3.034 -7.614) 8.669 9.790 ( 5.209 -1.635 3.764) 6.632 9.924 ( -15.851 -5.079 -0.680) 16.659 10.178 ( 11.158 -2.258 -0.097) 11.385 10.792 ( 7.461 -18.734 -0.639) 20.175 11.248 ( -0.996 -1.171 -2.748) 3.149 11.608 ( -2.713 -3.804 -5.443) 7.174 11.826 ( 10.105 0.819 0.695) 10.161 12.101 ( -10.324 0.363 4.018) 11.084 12.216 ( 4.045 2.845 5.045) 7.064 12.670 ( -2.681 6.955 4.929) 8.936 13.069 ( -5.938 12.567 -5.009) 14.774 13.175 ( 3.641 1.723 -0.861) 4.119 15.765 ( -3.961 -5.265 1.659) 6.794 15.858 ( -2.513 -7.333 -1.863) 7.972 20.716 ( 3.423 -2.540 -0.750) 4.328 20.978 ( 3.385 -1.944 2.399) 4.582 21.332 ( -2.239 -0.162 -0.762) 2.371 21.372 ( -1.757 0.582 -0.583) 1.941 21.491 ( 0.113 -0.397 -0.355) 0.545 21.711 ( 12.117 11.022 0.857) 16.402 22.198 ( -2.342 2.879 -0.841) 3.806 22.255 ( -2.069 1.343 0.082) 2.468 23.955 ( -4.751 1.541 0.104) 4.995 24.636 ( 5.176 0.847 -5.937) 7.922 24.933 ( -3.210 5.699 10.733) 12.569 25.153 ( -1.920 1.100 -3.305) 3.977 26.218 ( 0.992 -9.891 1.148) 10.007 26.666 ( 3.322 -4.773 -3.723) 6.905 ======================= Grid point 4 (5/117) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( 1.248 7.390 -3.819) 8.411 1.971 ( -3.569 -7.331 5.087) 9.610 2.029 ( 0.884 -10.589 -0.130) 10.627 2.293 ( 9.970 -10.167 -6.562) 15.679 2.347 ( -2.009 1.351 1.251) 2.725 2.482 ( -0.057 -0.118 -2.167) 2.171 2.551 ( 1.796 1.260 -1.408) 2.607 2.604 ( 3.941 -0.147 3.292) 5.137 2.850 ( -3.658 0.560 0.141) 3.703 2.978 ( 3.905 0.428 3.989) 5.599 3.179 ( -1.408 0.597 3.006) 3.372 3.262 ( 0.498 -0.190 2.653) 2.706 3.544 ( 1.092 0.252 -0.836) 1.398 3.629 ( 0.062 -2.844 -2.661) 3.895 3.862 ( 4.938 -3.468 -2.965) 6.723 3.867 ( 6.409 -6.221 -0.469) 8.944 3.995 ( 11.142 -0.504 -4.791) 12.139 4.080 ( 1.854 -2.720 2.505) 4.137 4.560 ( -3.618 1.197 -1.215) 4.000 4.619 ( 3.833 -4.290 1.982) 6.085 4.753 ( -4.250 -7.348 3.600) 9.221 4.848 ( 4.252 -6.360 -1.867) 7.875 4.937 ( 2.703 -3.421 1.052) 4.485 5.135 ( 0.580 8.460 0.040) 8.480 5.193 ( -10.851 -2.081 1.083) 11.102 5.714 ( -2.675 6.391 -6.213) 9.306 5.873 ( -1.597 -2.095 5.526) 6.122 6.000 ( -1.286 -2.034 -2.529) 3.491 6.182 ( 2.738 9.659 7.459) 12.507 6.354 ( 1.981 0.312 1.240) 2.358 6.614 ( 17.456 1.880 -3.527) 17.908 6.672 ( 10.601 -3.114 -0.363) 11.055 6.917 ( 0.484 0.272 -2.404) 2.467 7.139 ( 1.642 5.192 -8.114) 9.772 7.403 ( -14.416 -2.077 -1.315) 14.624 7.522 ( 6.219 -4.389 7.734) 10.852 7.718 ( -2.736 -1.283 -3.431) 4.572 8.064 ( -1.179 2.020 4.815) 5.353 8.269 ( -8.404 6.350 -2.281) 10.777 8.360 ( -0.380 6.729 -3.645) 7.663 8.847 ( -1.855 -2.013 4.443) 5.219 8.917 ( -1.349 -1.896 5.892) 6.335 9.182 ( -7.184 7.651 -3.075) 10.936 9.506 ( 6.000 0.156 -5.483) 8.130 9.827 ( -9.145 -5.584 4.058) 11.458 9.893 ( 1.342 1.262 -1.162) 2.178 10.315 ( 6.227 -2.343 0.910) 6.716 11.176 ( 7.138 -13.450 -1.013) 15.260 11.244 ( -0.929 -0.815 -0.892) 1.524 11.645 ( -0.566 -3.594 -3.403) 4.982 11.825 ( 2.112 7.904 1.931) 8.406 12.050 ( -5.133 -4.027 5.985) 8.854 12.236 ( 1.057 -2.589 -5.273) 5.969 12.523 ( -0.382 9.327 6.866) 11.588 12.808 ( -3.333 8.598 -4.703) 10.351 13.214 ( 2.298 -1.130 -0.136) 2.565 15.809 ( -2.195 -2.616 1.284) 3.648 15.929 ( -1.127 -3.395 -1.379) 3.833 20.785 ( 2.129 -1.897 -0.583) 2.911 21.065 ( 2.488 -3.027 5.938) 7.114 21.302 ( -2.383 0.266 -2.220) 3.268 21.321 ( -2.152 2.112 -5.036) 5.870 21.482 ( -0.373 0.801 -0.035) 0.884 21.664 ( 7.433 5.370 2.587) 9.528 22.140 ( -0.977 1.460 -0.802) 1.931 22.231 ( -0.691 0.098 0.058) 0.700 23.888 ( -2.830 1.441 -0.081) 3.177 24.614 ( 1.144 2.333 -4.866) 5.516 24.898 ( 0.868 1.230 10.241) 10.351 25.103 ( -2.046 0.830 -4.334) 4.864 26.368 ( 0.032 -5.738 0.717) 5.783 26.738 ( 1.947 -1.411 -1.749) 2.974 ======================= Grid point 5 (6/117) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( 0.000 -0.000 0.000) 0.000 2.051 ( 0.000 -0.000 0.000) 0.000 2.167 ( 0.000 -0.000 0.000) 0.000 2.241 ( 0.000 -0.000 0.000) 0.000 2.442 ( 0.000 -0.000 0.000) 0.000 2.466 ( 0.000 -0.000 -0.000) 0.000 2.537 ( 0.000 -0.000 0.000) 0.000 2.685 ( 0.000 -0.000 0.000) 0.000 2.808 ( 0.000 -0.000 -0.000) 0.000 3.027 ( 0.000 -0.000 -0.000) 0.000 3.143 ( 0.000 -0.000 -0.000) 0.000 3.262 ( 0.000 -0.000 0.000) 0.000 3.555 ( 0.000 -0.000 0.000) 0.000 3.599 ( 0.000 -0.000 0.000) 0.000 3.871 ( 0.000 -0.000 0.000) 0.000 4.055 ( 0.000 -0.000 0.000) 0.000 4.108 ( 0.000 -0.000 0.000) 0.000 4.304 ( -0.000 0.000 -0.000) 0.000 4.322 ( 0.000 -0.000 0.000) 0.000 4.606 ( 0.000 0.000 0.000) 0.000 4.666 ( 0.000 -0.000 0.000) 0.000 4.852 ( 0.000 -0.000 0.000) 0.000 5.121 ( -0.000 -0.000 -0.000) 0.000 5.123 ( 0.000 -0.000 0.000) 0.000 5.357 ( -0.000 0.000 -0.000) 0.000 5.426 ( 0.000 -0.000 0.000) 0.000 5.886 ( 0.000 -0.000 -0.000) 0.000 6.041 ( 0.000 -0.000 0.000) 0.000 6.146 ( 0.000 -0.000 0.000) 0.000 6.343 ( 0.000 -0.000 0.000) 0.000 6.719 ( 0.000 -0.000 0.000) 0.000 6.780 ( -0.000 -0.000 0.000) 0.000 6.848 ( -0.000 0.000 -0.000) 0.000 7.137 ( -0.000 -0.000 0.000) 0.000 7.346 ( 0.000 -0.000 0.000) 0.000 7.643 ( 0.000 -0.000 -0.000) 0.000 7.803 ( 0.000 -0.000 0.000) 0.000 7.879 ( 0.000 0.000 0.000) 0.000 8.181 ( 0.000 -0.000 0.000) 0.000 8.299 ( 0.000 -0.000 -0.000) 0.000 8.861 ( 0.000 -0.000 -0.000) 0.000 8.944 ( 0.000 -0.000 0.000) 0.000 9.051 ( 0.000 -0.000 0.000) 0.000 9.526 ( 0.000 -0.000 -0.000) 0.000 9.848 ( -0.000 -0.000 0.000) 0.000 9.879 ( 0.000 0.000 -0.000) 0.000 10.371 ( 0.000 -0.000 0.000) 0.000 11.234 ( 0.000 -0.000 0.000) 0.000 11.360 ( 0.000 -0.000 0.000) 0.000 11.697 ( -0.000 -0.000 -0.000) 0.000 11.723 ( 0.000 -0.000 0.000) 0.000 12.074 ( 0.000 -0.000 -0.000) 0.000 12.296 ( 0.000 -0.000 0.000) 0.000 12.406 ( 0.000 -0.000 -0.000) 0.000 12.701 ( 0.000 -0.000 0.000) 0.000 13.238 ( 0.000 -0.000 0.000) 0.000 15.823 ( 0.000 -0.000 0.000) 0.000 15.952 ( 0.000 -0.000 0.000) 0.000 20.813 ( 0.000 -0.000 0.000) 0.000 21.137 ( 0.000 -0.000 -0.000) 0.000 21.249 ( 0.000 -0.000 0.000) 0.000 21.290 ( 0.000 -0.000 0.000) 0.000 21.471 ( 0.000 -0.000 0.000) 0.000 21.661 ( 0.000 -0.000 -0.000) 0.000 22.121 ( 0.000 -0.000 0.000) 0.000 22.228 ( 0.000 -0.000 0.000) 0.000 23.859 ( 0.000 -0.000 0.000) 0.000 24.588 ( 0.000 -0.000 -0.000) 0.000 24.913 ( 0.000 -0.000 0.000) 0.000 25.075 ( 0.000 -0.000 -0.000) 0.000 26.422 ( 0.000 -0.000 0.000) 0.000 26.756 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 12 (7/117) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.460 ( 19.267 0.000 29.257) 35.031 0.678 ( 29.283 0.000 15.681) 33.217 1.156 ( 59.561 0.000 -15.670) 61.588 1.858 ( 32.879 0.000 5.968) 33.416 1.877 ( 6.972 0.000 -5.006) 8.583 2.142 ( -10.843 -0.000 1.351) 10.926 2.333 ( 7.306 0.000 6.258) 9.620 2.516 ( 8.935 0.000 -3.436) 9.572 2.635 ( 0.656 0.000 14.668) 14.683 2.741 ( -7.783 -0.000 -4.457) 8.969 2.976 ( -6.389 -0.000 0.478) 6.407 3.034 ( 1.171 0.000 -0.153) 1.181 3.547 ( -2.786 -0.000 1.804) 3.319 3.594 ( -1.017 -0.000 4.154) 4.276 3.717 ( 1.422 0.000 10.872) 10.965 3.768 ( 7.428 0.000 3.599) 8.254 3.891 ( 4.926 0.000 0.486) 4.950 3.911 ( 2.467 0.000 -4.958) 5.538 4.046 ( 17.027 0.000 -10.371) 19.937 4.106 ( 3.758 0.000 -11.542) 12.138 4.473 ( -9.667 -0.000 -4.076) 10.491 4.682 ( -2.555 -0.000 1.320) 2.876 4.796 ( -1.880 -0.000 -3.076) 3.605 4.869 ( 4.879 0.000 0.829) 4.949 5.539 ( 7.355 0.000 -0.090) 7.356 5.851 ( 0.938 0.000 3.978) 4.087 5.899 ( 5.898 0.000 -4.810) 7.610 5.907 ( -1.846 -0.000 1.473) 2.361 6.239 ( -4.174 -0.000 7.659) 8.722 6.492 ( 5.609 0.000 5.601) 7.927 6.885 ( -10.281 -0.000 -9.187) 13.788 7.025 ( -12.534 -0.000 -8.867) 15.354 7.294 ( 4.879 0.000 2.051) 5.293 7.481 ( 11.436 0.000 -0.070) 11.437 7.494 ( 1.363 0.000 6.597) 6.736 7.828 ( -6.274 -0.000 3.150) 7.021 7.999 ( 1.200 0.000 4.092) 4.265 8.042 ( -11.614 -0.000 -11.839) 16.585 8.591 ( 3.259 0.000 3.117) 4.510 8.710 ( -8.567 -0.000 -1.910) 8.777 8.790 ( 4.848 0.000 5.773) 7.539 8.976 ( -0.251 -0.000 -2.552) 2.564 9.066 ( -0.919 -0.000 5.074) 5.156 9.387 ( 2.306 0.000 2.959) 3.752 9.792 ( -2.776 -0.000 0.628) 2.847 9.986 ( -5.565 -0.000 -0.380) 5.577 10.165 ( -4.159 -0.000 -3.746) 5.598 10.646 ( 20.323 0.000 -63.037) 66.232 11.157 ( 4.601 0.000 -6.720) 8.145 11.224 ( -5.975 -0.000 7.259) 9.401 11.809 ( 13.536 0.000 -6.732) 15.117 11.909 ( -14.622 -0.000 54.550) 56.476 12.222 ( -0.239 -0.000 13.540) 13.542 12.774 ( -5.163 -0.000 1.178) 5.295 13.203 ( -1.809 -0.000 3.015) 3.516 14.023 ( -6.708 -0.000 -1.935) 6.982 15.288 ( 1.457 0.000 0.589) 1.571 15.318 ( -0.468 -0.000 -0.703) 0.845 20.625 ( 4.928 0.000 1.483) 5.146 21.071 ( 7.871 0.000 -23.898) 25.161 21.395 ( -1.917 -0.000 1.522) 2.447 21.430 ( 0.959 0.000 -0.014) 0.959 21.577 ( 0.802 0.000 12.822) 12.847 21.827 ( -5.121 -0.000 -1.805) 5.430 22.368 ( -4.267 -0.000 1.082) 4.402 22.420 ( -4.510 -0.000 -0.062) 4.511 24.420 ( 12.224 0.000 -0.600) 12.238 24.869 ( -0.898 -0.000 -5.990) 6.057 24.954 ( -1.410 -0.000 -1.394) 1.983 25.317 ( -6.283 -0.000 -4.434) 7.690 25.770 ( 2.943 0.000 0.482) 2.983 25.891 ( 12.563 0.000 -7.643) 14.705 ======================= Grid point 13 (8/117) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( 17.584 -10.946 17.878) 27.361 1.257 ( 26.104 -18.682 4.440) 32.406 1.768 ( 30.198 -7.742 -8.487) 32.309 1.928 ( 8.055 0.275 1.707) 8.238 2.104 ( 9.416 -5.392 -0.073) 10.850 2.382 ( 16.676 -13.467 1.270) 21.472 2.470 ( 11.085 -8.982 7.170) 15.968 2.575 ( -3.182 0.278 -4.167) 5.250 2.669 ( 10.264 -2.394 -2.161) 10.759 2.728 ( 0.517 -6.022 0.179) 6.046 2.887 ( -4.200 4.375 -1.013) 6.149 3.049 ( 2.475 1.042 1.614) 3.133 3.539 ( 0.284 -0.474 3.951) 3.989 3.566 ( 4.676 1.932 7.740) 9.246 3.726 ( 2.233 0.202 2.934) 3.692 3.793 ( 7.625 11.989 -3.314) 14.590 3.884 ( 7.142 0.516 -4.740) 8.587 3.962 ( 3.970 -1.833 0.379) 4.389 4.051 ( 0.393 5.427 2.397) 5.946 4.268 ( 14.424 -4.597 -5.439) 16.086 4.364 ( -3.368 -2.863 -12.816) 13.557 4.737 ( -5.756 -3.966 -0.240) 6.994 4.826 ( -0.712 -7.817 4.370) 8.984 4.968 ( 2.400 -4.459 -0.774) 5.122 5.642 ( 5.117 -1.300 -4.520) 6.950 5.779 ( 4.360 3.813 6.374) 8.612 5.852 ( 5.354 4.935 -1.554) 7.445 6.037 ( 3.973 -2.881 -2.356) 5.444 6.223 ( -7.125 -2.301 9.588) 12.166 6.568 ( 4.442 -0.371 7.146) 8.422 6.716 ( -11.681 8.240 -4.976) 15.136 6.937 ( -11.500 -6.414 -9.713) 16.362 7.316 ( 5.981 7.562 4.843) 10.790 7.362 ( 4.181 9.510 0.453) 10.398 7.564 ( -1.602 1.573 -1.864) 2.918 7.744 ( -6.728 3.200 1.223) 7.550 7.827 ( -5.670 5.114 -12.175) 14.372 8.029 ( -1.613 1.176 3.251) 3.816 8.567 ( -7.442 1.884 -0.683) 7.707 8.650 ( -2.659 -1.438 2.673) 4.035 8.817 ( 2.765 2.696 5.034) 6.344 8.847 ( -2.591 4.555 -0.035) 5.241 9.216 ( 4.529 -6.510 3.769) 8.781 9.503 ( 4.869 -8.022 5.026) 10.645 9.690 ( -5.292 4.680 -0.677) 7.097 9.967 ( -8.131 1.181 0.870) 8.262 10.116 ( 3.073 -1.547 -0.832) 3.539 10.392 ( 14.170 9.770 -22.520) 28.345 11.198 ( 4.979 -1.132 -4.425) 6.757 11.420 ( -1.416 -9.787 -8.735) 13.194 11.827 ( 3.129 1.880 10.861) 11.458 12.101 ( 0.699 -6.095 1.298) 6.271 12.262 ( -0.608 -1.469 15.693) 15.773 12.739 ( -5.494 -1.959 3.585) 6.847 13.164 ( -2.889 2.247 2.575) 4.475 13.776 ( -7.755 16.847 -4.960) 19.198 15.428 ( -2.891 -13.014 1.525) 13.418 15.455 ( -2.625 -11.379 -1.703) 11.801 20.683 ( 6.346 0.244 1.210) 6.465 21.033 ( 7.144 5.007 -9.870) 13.173 21.363 ( -1.417 1.614 1.061) 2.396 21.449 ( 1.555 5.510 4.699) 7.407 21.454 ( -0.357 0.234 0.063) 0.431 21.938 ( 2.018 -5.647 -0.445) 6.013 22.299 ( -5.763 2.385 0.806) 6.289 22.343 ( -5.474 2.391 -0.020) 5.973 24.271 ( 12.294 23.233 1.270) 26.316 24.647 ( 6.450 1.872 -2.100) 7.037 25.019 ( -5.519 -1.962 2.251) 6.275 25.283 ( -7.450 2.876 -1.592) 8.143 25.881 ( 4.333 -6.931 0.710) 8.205 26.255 ( 5.618 -19.682 -8.211) 22.053 ======================= Grid point 14 (9/117) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( 12.576 -17.627 5.417) 22.321 1.768 ( 12.630 -10.953 1.986) 16.836 1.893 ( 8.636 2.382 -2.155) 9.214 2.018 ( 12.583 1.472 0.129) 12.670 2.341 ( 14.531 -2.645 2.031) 14.909 2.507 ( -2.130 -0.773 0.750) 2.387 2.646 ( 4.242 1.543 1.866) 4.884 2.707 ( 0.647 3.405 -1.110) 3.639 2.727 ( 5.994 -9.101 -9.833) 14.678 2.846 ( 0.423 -7.350 -0.357) 7.371 3.075 ( 3.126 -3.566 0.326) 4.753 3.201 ( 20.100 -18.631 4.658) 27.800 3.478 ( -1.997 11.409 7.744) 13.932 3.654 ( 3.919 -0.840 -2.365) 4.654 3.723 ( 0.094 -0.678 5.454) 5.497 3.785 ( 5.681 -7.842 0.965) 9.732 3.925 ( 9.668 1.276 -1.674) 9.895 4.027 ( 3.250 -1.666 2.239) 4.284 4.101 ( 12.710 -6.903 -5.144) 15.351 4.282 ( 4.964 5.718 -10.251) 12.745 4.516 ( 3.385 -7.751 -4.070) 9.386 4.730 ( -4.250 -3.558 -2.541) 6.097 4.990 ( -0.732 -3.714 6.630) 7.635 5.063 ( 0.564 -7.035 2.818) 7.599 5.620 ( -1.221 3.115 -5.242) 6.219 5.711 ( 0.912 6.109 -0.704) 6.216 5.874 ( -0.172 8.332 -5.009) 9.723 6.077 ( 1.948 -6.059 9.810) 11.694 6.262 ( -1.358 -0.068 4.407) 4.612 6.484 ( 1.716 4.018 3.785) 5.781 6.651 ( 9.254 1.567 6.870) 11.631 6.888 ( -4.170 -1.258 -6.134) 7.523 7.140 ( -8.880 14.163 -7.647) 18.382 7.183 ( 3.375 9.057 -0.363) 9.672 7.518 ( -4.669 5.549 -2.977) 7.839 7.561 ( -1.181 2.646 -3.768) 4.753 7.712 ( -3.697 1.462 -7.479) 8.470 8.023 ( 0.484 -0.868 8.040) 8.101 8.462 ( -8.049 1.869 -3.472) 8.963 8.613 ( -4.021 3.172 0.340) 5.133 8.793 ( -0.588 1.171 5.784) 5.931 8.825 ( -0.122 -0.984 5.150) 5.245 9.339 ( -2.221 -5.565 -1.960) 6.304 9.444 ( -10.276 4.563 3.331) 11.726 9.782 ( -5.257 2.546 -6.413) 8.674 9.835 ( 7.082 -3.821 7.550) 11.035 10.264 ( 11.524 -1.188 -0.104) 11.585 10.501 ( 3.807 -16.351 -7.590) 18.424 11.248 ( 6.024 0.281 -6.899) 9.163 11.516 ( 1.209 -3.852 -4.631) 6.144 11.879 ( 0.759 -2.153 7.677) 8.009 12.067 ( -4.078 4.485 -0.999) 6.144 12.319 ( 2.729 1.719 4.696) 5.697 12.764 ( -0.141 -0.292 11.464) 11.468 13.087 ( -5.742 1.725 -1.003) 6.079 13.379 ( -1.897 17.027 -7.062) 18.531 15.582 ( -5.244 -9.664 0.466) 11.005 15.655 ( -1.720 -11.637 -0.743) 11.787 20.746 ( 6.371 0.128 0.269) 6.378 21.021 ( 5.195 1.601 -0.476) 5.457 21.326 ( -0.616 1.385 -1.348) 2.029 21.380 ( -1.255 2.610 0.502) 2.939 21.471 ( -1.070 -1.079 -0.019) 1.520 21.980 ( 4.823 5.817 0.434) 7.569 22.202 ( -4.713 1.046 -0.047) 4.828 22.253 ( -3.603 1.843 0.073) 4.047 24.060 ( 6.373 11.766 1.510) 13.467 24.675 ( 2.829 0.529 -5.223) 5.963 24.978 ( -5.226 1.340 7.927) 9.589 25.161 ( -3.118 3.378 -2.307) 5.143 26.076 ( 4.200 -8.857 0.986) 9.852 26.552 ( 3.502 -10.704 -5.100) 12.363 ======================= Grid point 15 (10/117) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( 10.370 -10.116 -5.241) 15.406 1.815 ( -4.939 1.100 8.500) 9.892 1.943 ( 5.776 -2.185 3.866) 7.286 2.226 ( 14.031 -1.408 -7.264) 15.862 2.454 ( 3.710 -1.509 -4.654) 6.140 2.540 ( 9.447 4.322 -0.127) 10.389 2.626 ( 4.772 1.894 1.014) 5.233 2.701 ( 7.507 1.951 4.290) 8.864 2.849 ( 4.318 -0.267 -5.290) 6.834 2.970 ( 2.654 -5.238 4.782) 7.573 3.150 ( -2.506 -0.492 2.367) 3.482 3.323 ( 1.172 1.742 -3.395) 3.991 3.576 ( 9.276 -3.602 3.637) 10.594 3.632 ( -0.051 4.797 2.754) 5.531 3.789 ( 3.322 -7.699 1.638) 8.543 3.863 ( 3.199 0.526 -2.260) 3.952 4.053 ( 1.666 -0.283 -0.934) 1.931 4.156 ( 8.276 4.266 -9.084) 13.008 4.363 ( 5.404 -21.244 3.126) 22.143 4.446 ( 12.642 -13.438 0.509) 18.457 4.591 ( -4.003 -2.524 -1.361) 4.924 4.779 ( -0.092 -5.716 0.407) 5.731 5.037 ( -1.554 -2.581 1.035) 3.186 5.099 ( -0.351 7.812 0.261) 7.824 5.382 ( -4.923 16.222 -1.945) 17.064 5.644 ( -5.267 -3.150 0.784) 6.187 5.815 ( 3.082 -2.519 -2.082) 4.492 5.999 ( -11.293 5.170 6.468) 14.004 6.344 ( 3.798 -1.754 1.082) 4.322 6.485 ( 4.812 8.810 9.291) 13.678 6.743 ( -8.738 10.403 -7.158) 15.356 6.811 ( 18.948 -1.233 2.129) 19.107 7.017 ( 16.259 -0.489 -1.907) 16.378 7.078 ( -6.183 -4.886 -6.124) 9.980 7.285 ( -11.913 6.228 -4.007) 14.027 7.577 ( 4.746 1.163 5.634) 7.458 7.662 ( 0.981 -0.675 -10.556) 10.623 8.083 ( -1.204 -2.129 9.163) 9.484 8.276 ( -11.211 6.778 -5.100) 14.059 8.471 ( -2.519 7.261 -3.688) 8.525 8.805 ( -1.749 -1.393 6.317) 6.700 8.871 ( -1.373 -2.877 5.956) 6.755 9.214 ( -7.057 6.055 -0.408) 9.307 9.480 ( -7.695 -10.515 0.089) 13.030 9.640 ( -1.483 4.494 -2.036) 5.152 9.990 ( 7.501 -1.432 1.440) 7.771 10.348 ( 3.972 -0.246 0.026) 3.980 10.891 ( 2.341 -20.510 -1.314) 20.685 11.270 ( 6.303 1.863 -7.410) 9.905 11.575 ( 1.492 -2.779 -2.433) 3.983 11.848 ( -12.988 1.185 1.677) 13.149 12.027 ( 5.622 -0.186 7.098) 9.056 12.292 ( 5.037 4.622 -3.445) 7.655 12.736 ( 1.576 8.192 13.646) 15.994 12.929 ( -4.070 9.054 -6.594) 11.917 13.207 ( 0.974 0.574 -3.678) 3.848 15.686 ( -4.288 -7.333 0.034) 8.494 15.814 ( -1.083 -7.857 -0.212) 7.934 20.804 ( 5.089 0.013 -0.043) 5.090 21.069 ( 3.461 -1.324 4.136) 5.553 21.288 ( -0.970 1.551 -5.193) 5.505 21.321 ( -1.768 1.745 -0.682) 2.576 21.470 ( -1.791 -0.556 0.064) 1.877 21.858 ( 0.214 8.952 2.083) 9.194 22.161 ( -0.752 1.334 -0.622) 1.653 22.225 ( -0.170 -0.303 0.123) 0.368 23.955 ( 3.923 6.444 1.155) 7.632 24.649 ( -0.044 1.939 -5.497) 5.830 24.935 ( -3.019 1.471 8.904) 9.516 25.088 ( -1.964 1.020 -3.373) 4.034 26.265 ( 3.244 -7.399 0.849) 8.124 26.698 ( 1.223 -4.481 -2.524) 5.286 ======================= Grid point 16 (11/117) ======================= q-point: ( 0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( 4.265 10.335 1.526) 11.284 2.010 ( 3.765 -8.408 2.932) 9.668 2.079 ( 4.306 -7.910 0.507) 9.020 2.271 ( -2.768 -0.785 -5.174) 5.921 2.440 ( -1.024 4.242 -2.369) 4.966 2.500 ( 8.688 6.117 -1.536) 10.736 2.632 ( 6.941 5.221 0.282) 8.690 2.798 ( 10.531 2.507 5.477) 12.132 2.859 ( 7.216 2.171 -3.417) 8.274 3.097 ( 7.608 -2.791 -0.748) 8.139 3.170 ( -1.143 1.969 2.838) 3.638 3.272 ( -1.350 1.578 0.829) 2.236 3.539 ( -0.925 1.791 1.901) 2.770 3.640 ( 3.488 2.570 -2.422) 4.963 3.828 ( -3.970 -1.431 1.166) 4.379 4.032 ( 4.908 -5.252 -4.372) 8.413 4.111 ( 1.119 2.058 0.256) 2.357 4.219 ( 10.621 -8.664 2.260) 13.892 4.423 ( -7.675 1.565 -1.291) 7.939 4.614 ( -4.651 12.257 -0.667) 13.127 4.759 ( 2.309 -6.473 0.748) 6.913 4.843 ( -0.891 4.748 0.154) 4.833 4.966 ( -2.249 -7.923 -1.094) 8.308 5.063 ( 2.526 -4.207 -0.679) 4.954 5.220 ( 3.210 -5.627 1.912) 6.754 5.579 ( -7.319 8.049 -1.245) 10.950 5.875 ( 1.899 -1.564 -1.961) 3.146 5.964 ( -2.454 -7.832 0.414) 8.217 6.310 ( 3.258 11.368 8.818) 14.751 6.336 ( -3.821 4.598 -0.059) 5.978 6.610 ( -9.048 -3.554 2.005) 9.925 6.927 ( 3.511 3.860 -4.115) 6.645 6.948 ( -1.124 9.913 -3.036) 10.428 7.024 ( -5.217 1.041 0.862) 5.389 7.427 ( 19.611 -6.219 0.459) 20.578 7.604 ( -1.455 -2.549 -5.690) 6.402 7.774 ( 11.131 -7.268 1.002) 13.331 7.938 ( -12.844 11.707 -2.417) 17.546 8.149 ( -2.764 -2.306 5.602) 6.659 8.338 ( 0.464 3.832 -5.313) 6.567 8.832 ( -1.464 -1.991 3.149) 4.003 8.928 ( -0.009 -2.510 4.179) 4.875 9.067 ( -2.500 4.116 0.944) 4.907 9.568 ( -7.398 -3.242 4.668) 9.329 9.601 ( 0.089 -4.643 -5.906) 7.513 10.056 ( 9.306 3.093 -0.242) 9.810 10.360 ( -3.546 -0.566 1.979) 4.100 11.175 ( -6.135 -13.016 -5.777) 15.506 11.274 ( 5.219 2.242 -4.089) 6.999 11.643 ( 1.065 -3.342 0.531) 3.548 11.728 ( -6.241 0.948 3.744) 7.339 12.080 ( -1.085 0.140 1.888) 2.182 12.289 ( 9.010 1.114 -2.963) 9.550 12.621 ( 3.611 10.223 11.655) 15.918 12.739 ( -0.264 6.128 -6.578) 8.994 13.221 ( -0.998 -1.053 -1.829) 2.334 15.762 ( -2.557 -5.077 -0.668) 5.724 15.915 ( -0.106 -4.137 0.652) 4.189 20.839 ( 3.093 0.959 0.381) 3.261 21.147 ( 2.409 -1.558 4.549) 5.378 21.215 ( -2.828 0.856 -7.089) 7.680 21.298 ( 0.684 0.411 0.206) 0.824 21.460 ( -1.774 -0.472 0.152) 1.842 21.710 ( -3.507 6.113 1.849) 7.286 22.139 ( 0.923 1.092 0.212) 1.445 22.232 ( 0.720 0.060 -0.151) 0.739 23.912 ( 4.601 3.386 0.969) 5.795 24.600 ( -0.668 1.543 -0.884) 1.900 24.890 ( -4.247 0.748 -2.045) 4.772 25.075 ( 0.311 -0.667 2.115) 2.240 26.400 ( 2.836 -3.832 0.399) 4.783 26.740 ( -1.139 -1.163 -0.776) 1.803 ======================= Grid point 17 (12/117) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 5.791 2.702 3.149) 7.124 2.097 ( 3.461 2.144 0.919) 4.174 2.192 ( -0.787 4.071 -3.141) 5.202 2.244 ( 0.556 0.534 1.241) 1.461 2.379 ( -2.210 -6.346 -4.838) 8.280 2.501 ( 1.629 2.624 3.554) 4.709 2.612 ( 9.347 5.298 -2.666) 11.070 2.757 ( 8.007 12.187 2.772) 14.843 2.905 ( 7.906 4.723 -0.721) 9.238 3.007 ( 0.084 6.365 -0.409) 6.379 3.186 ( 3.533 -0.326 -2.698) 4.457 3.309 ( 2.431 0.862 2.609) 3.669 3.551 ( -0.882 1.720 0.893) 2.129 3.646 ( 2.189 -3.693 3.204) 5.357 3.816 ( -5.459 -2.139 0.129) 5.864 3.935 ( -10.854 9.679 -1.619) 14.632 3.998 ( -7.979 10.487 0.623) 13.192 4.150 ( -3.069 6.686 -0.590) 7.381 4.481 ( 3.527 -6.186 0.952) 7.184 4.586 ( -1.764 1.024 -1.287) 2.412 4.720 ( 4.507 -10.988 -3.874) 12.492 4.862 ( 1.230 0.588 -0.265) 1.389 5.034 ( -4.248 -0.652 -0.989) 4.410 5.134 ( -4.109 7.784 1.912) 9.007 5.366 ( 7.214 3.287 -6.325) 10.142 5.504 ( 3.610 -15.760 3.992) 16.653 5.885 ( 2.321 2.750 -4.825) 6.019 6.067 ( -1.633 -3.201 6.043) 7.030 6.132 ( -2.382 6.779 4.080) 8.263 6.293 ( -5.090 -2.346 -1.109) 5.713 6.517 ( -8.771 5.642 1.983) 10.616 6.629 ( -17.932 7.226 -1.185) 19.369 6.984 ( 2.605 4.075 -0.228) 4.842 7.022 ( 6.242 -6.721 5.985) 10.952 7.500 ( -0.017 2.347 -7.200) 7.573 7.604 ( -5.134 9.032 0.487) 10.401 7.733 ( 4.633 -3.127 -4.504) 7.179 8.046 ( 9.809 -6.675 2.050) 12.040 8.225 ( 3.327 -5.542 3.204) 7.215 8.309 ( 1.329 0.563 -0.745) 1.624 8.854 ( -1.275 -1.106 -0.578) 1.784 8.940 ( 1.362 1.141 -5.589) 5.864 9.104 ( 3.239 -6.231 6.897) 9.843 9.524 ( -1.052 2.958 3.207) 4.488 9.687 ( -6.153 -7.532 -1.128) 9.791 10.086 ( 10.471 3.780 -2.731) 11.463 10.307 ( -5.337 1.911 2.178) 6.073 11.195 ( -12.517 -1.373 -3.691) 13.121 11.283 ( 4.715 1.454 -1.007) 5.035 11.684 ( -1.875 -0.067 -0.949) 2.103 11.706 ( -0.357 -1.704 5.586) 5.851 12.050 ( -2.746 -1.252 -8.475) 8.996 12.350 ( 4.343 3.579 2.126) 6.016 12.541 ( 10.608 6.190 5.801) 13.583 12.722 ( 1.754 -4.544 -0.114) 4.872 13.195 ( -3.953 0.629 -1.585) 4.305 15.814 ( -0.343 -2.603 -1.372) 2.963 15.964 ( 0.610 -0.796 1.446) 1.759 20.827 ( 1.023 2.919 0.983) 3.246 21.097 ( -0.439 3.960 -6.797) 7.878 21.275 ( -0.750 -5.809 5.747) 8.206 21.318 ( 2.133 -0.910 0.111) 2.322 21.456 ( -1.458 -0.763 -0.311) 1.675 21.575 ( -6.528 3.648 -0.196) 7.481 22.142 ( 1.571 0.008 0.797) 1.761 22.235 ( 0.263 0.062 -0.118) 0.295 23.933 ( 6.582 0.780 0.934) 6.694 24.586 ( -1.421 -0.510 4.719) 4.955 24.824 ( -4.348 -0.591 -10.450) 11.334 25.114 ( 1.303 -1.343 4.173) 4.573 26.450 ( 2.785 1.718 -0.380) 3.294 26.728 ( -2.908 -0.043 0.785) 3.012 ======================= Grid point 18 (13/117) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( 3.004 -0.190 5.667) 6.417 2.017 ( 1.233 8.161 -0.739) 8.287 2.063 ( 3.240 10.156 -1.898) 10.828 2.174 ( -1.419 8.847 -0.526) 8.975 2.406 ( 2.099 7.719 1.696) 8.177 2.460 ( -2.505 0.814 1.279) 2.928 2.566 ( 1.822 8.848 2.670) 9.420 2.639 ( 9.429 3.552 -5.111) 11.298 2.866 ( -1.588 -0.761 -4.807) 5.119 2.956 ( 2.829 5.565 -0.615) 6.273 3.188 ( -1.060 -0.607 2.658) 2.925 3.284 ( 4.541 5.183 -4.503) 8.231 3.441 ( -11.108 4.786 3.033) 12.469 3.616 ( 0.315 7.744 0.017) 7.751 3.739 ( -1.875 -2.258 0.368) 2.958 3.795 ( -4.731 -2.103 0.502) 5.202 3.903 ( -2.221 -1.393 6.845) 7.330 3.986 ( -6.063 10.900 -3.017) 12.832 4.427 ( -12.252 9.951 -1.850) 15.892 4.605 ( -0.459 1.871 1.851) 2.672 4.772 ( -1.626 5.557 -0.424) 5.805 4.847 ( 5.986 10.214 -5.226) 12.941 4.885 ( -2.651 -3.509 1.495) 4.645 5.100 ( -0.751 -4.136 -1.798) 4.572 5.458 ( 11.504 -5.121 1.476) 12.679 5.758 ( -0.113 -0.482 5.143) 5.167 5.857 ( -0.696 -0.253 -2.144) 2.268 5.978 ( -3.129 -0.038 -4.781) 5.714 6.176 ( -0.125 -6.020 -0.412) 6.036 6.209 ( -8.111 3.626 1.606) 9.029 6.324 ( -11.887 3.448 -0.482) 12.386 6.462 ( -4.033 -4.114 0.401) 5.775 6.990 ( 3.982 -1.810 5.073) 6.698 7.257 ( 3.709 -10.213 8.990) 14.103 7.428 ( 1.340 0.453 -6.290) 6.447 7.548 ( 1.240 -2.977 -0.383) 3.248 7.753 ( -1.974 0.769 -3.456) 4.053 8.099 ( 6.170 8.915 -1.667) 10.969 8.388 ( 0.986 -8.447 0.848) 8.547 8.411 ( 3.817 -8.342 3.245) 9.731 8.839 ( -0.272 1.270 -4.093) 4.294 8.893 ( -1.741 3.325 -3.826) 5.360 9.297 ( 1.969 -7.778 3.256) 8.658 9.497 ( 1.492 0.369 4.005) 4.290 9.728 ( -2.586 -2.385 -0.306) 3.531 10.081 ( -4.615 1.304 -2.730) 5.518 10.244 ( 10.756 6.421 2.068) 12.697 10.974 ( -11.323 10.879 -1.946) 15.822 11.304 ( 4.532 1.398 0.191) 4.747 11.667 ( -2.815 -0.639 1.455) 3.232 11.738 ( -1.684 -0.212 8.649) 8.814 12.040 ( -2.718 -4.580 -16.362) 17.207 12.265 ( 1.351 6.901 1.365) 7.163 12.645 ( 11.307 -2.008 4.758) 12.430 12.899 ( 3.350 -10.682 1.404) 11.283 13.127 ( -6.122 0.107 -1.158) 6.232 15.836 ( 1.313 0.365 -1.685) 2.167 15.966 ( 1.288 2.202 1.790) 3.116 20.766 ( -0.303 4.297 0.926) 4.406 21.007 ( -0.167 4.088 -3.556) 5.421 21.366 ( 3.718 -0.896 -0.570) 3.866 21.381 ( 0.118 -3.119 4.918) 5.825 21.432 ( -10.239 -2.752 -2.840) 10.976 21.482 ( -2.006 -0.332 0.489) 2.091 22.177 ( 2.041 -1.732 0.661) 2.757 22.242 ( -0.137 -1.014 0.066) 1.025 24.013 ( 8.258 -0.716 0.781) 8.326 24.588 ( -5.114 -0.177 7.065) 8.724 24.807 ( -0.789 -5.368 -11.866) 13.048 25.161 ( 1.275 -1.137 3.006) 3.458 26.384 ( 1.693 7.916 -1.042) 8.162 26.692 ( -3.178 1.207 2.112) 4.002 ======================= Grid point 19 (14/117) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( -6.774 16.702 5.865) 18.954 1.736 ( 1.639 28.826 1.119) 28.894 1.923 ( 6.530 4.976 -2.074) 8.468 2.015 ( 4.263 5.873 -2.952) 7.835 2.218 ( -5.161 17.871 1.888) 18.697 2.381 ( -1.193 -2.169 -2.157) 3.283 2.502 ( -1.081 2.064 -0.844) 2.478 2.716 ( 2.612 -3.727 -1.043) 4.669 2.832 ( -4.477 2.167 4.700) 6.843 2.881 ( -2.251 -0.144 -3.650) 4.291 3.123 ( 1.826 22.231 -3.875) 22.640 3.218 ( 0.435 0.993 -0.379) 1.148 3.310 ( -0.533 -1.238 -0.871) 1.605 3.476 ( -6.297 10.228 2.259) 12.222 3.639 ( -5.571 5.641 -0.724) 7.961 3.751 ( -1.604 1.285 0.680) 2.165 3.865 ( -3.096 2.559 2.789) 4.890 3.913 ( -2.958 -6.447 1.743) 7.304 4.155 ( -0.970 3.729 -4.225) 5.718 4.274 ( 0.257 23.742 3.324) 23.975 4.680 ( 0.268 11.730 -1.295) 11.804 4.847 ( 1.507 -4.007 -1.418) 4.510 4.979 ( -2.183 -6.076 3.600) 7.392 5.069 ( 0.845 3.057 -2.031) 3.766 5.651 ( 0.013 6.476 3.126) 7.191 5.676 ( -2.148 5.615 2.707) 6.593 5.846 ( 4.465 -12.102 -2.990) 13.242 5.918 ( -6.775 1.463 0.507) 6.949 6.152 ( -6.072 -0.349 -1.956) 6.388 6.309 ( 0.475 -18.133 -4.238) 18.628 6.357 ( 1.097 -7.111 -1.320) 7.316 6.519 ( -2.737 -3.497 0.983) 4.548 7.141 ( 3.234 -7.448 5.464) 9.787 7.464 ( 4.450 -2.916 5.910) 7.952 7.506 ( 9.518 -5.364 -8.985) 14.146 7.660 ( -6.336 -5.547 7.162) 11.055 7.754 ( 0.090 -10.597 -0.227) 10.599 7.938 ( 1.950 11.436 -2.202) 11.808 8.558 ( 1.202 -7.653 -1.712) 7.934 8.594 ( 1.858 -8.594 1.529) 8.924 8.749 ( -2.669 5.838 -4.718) 7.967 8.802 ( -1.853 3.293 0.118) 3.780 9.368 ( 1.040 1.506 2.247) 2.898 9.510 ( -6.471 -0.057 -0.058) 6.472 9.761 ( 8.394 0.621 -1.008) 8.477 9.963 ( -10.098 1.130 1.138) 10.225 10.280 ( 15.039 6.215 0.121) 16.273 10.622 ( -9.171 15.049 0.482) 17.630 11.310 ( 2.975 2.933 0.796) 4.252 11.645 ( -4.555 -1.429 0.402) 4.791 11.755 ( 4.634 2.998 10.670) 12.013 12.038 ( -6.355 -4.362 -15.470) 17.283 12.182 ( 0.622 2.931 -0.805) 3.103 12.821 ( 9.796 -2.709 2.927) 10.577 13.064 ( -6.910 -5.311 -1.482) 8.841 13.186 ( 2.905 -14.258 1.854) 14.669 15.820 ( 1.809 2.779 -0.646) 3.378 15.914 ( 1.728 5.888 0.755) 6.182 20.685 ( -0.341 4.269 0.549) 4.318 20.925 ( -1.236 3.975 0.411) 4.183 21.316 ( -3.878 1.940 -3.625) 5.652 21.418 ( 2.425 -0.582 -0.180) 2.500 21.460 ( -0.770 -2.048 -1.000) 2.405 21.513 ( -5.593 -6.339 3.245) 9.055 22.250 ( 2.290 -3.808 0.041) 4.444 22.277 ( -0.214 -3.100 0.349) 3.127 24.111 ( 8.172 -0.420 0.268) 8.188 24.514 ( -7.346 2.267 2.055) 7.958 24.955 ( 2.315 -12.043 -4.333) 13.006 25.187 ( 0.339 0.008 1.278) 1.322 26.205 ( 0.029 12.123 -0.774) 12.148 26.623 ( -2.012 4.423 2.222) 5.343 ======================= Grid point 20 (15/117) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( -0.000 25.889 0.000) 25.889 1.194 ( -0.000 32.314 0.000) 32.314 1.802 ( -0.000 20.149 0.000) 20.149 1.891 ( -0.000 19.389 0.000) 19.389 1.960 ( 0.000 -2.518 -0.000) 2.518 2.373 ( -0.000 11.217 0.000) 11.217 2.403 ( 0.000 0.198 0.000) 0.198 2.403 ( -0.000 27.952 0.000) 27.952 2.787 ( 0.000 -2.688 -0.000) 2.688 2.881 ( -0.000 4.970 0.000) 4.970 2.946 ( 0.000 -4.198 -0.000) 4.198 3.085 ( -0.000 9.096 0.000) 9.096 3.341 ( -0.000 0.412 0.000) 0.412 3.434 ( 0.000 -9.790 -0.000) 9.790 3.536 ( -0.000 3.406 0.000) 3.406 3.727 ( -0.000 0.470 0.000) 0.470 3.770 ( -0.000 6.436 0.000) 6.436 3.936 ( -0.000 0.995 0.000) 0.995 4.031 ( -0.000 3.104 0.000) 3.104 4.174 ( -0.000 0.797 0.000) 0.797 4.495 ( -0.000 4.589 0.000) 4.589 4.868 ( -0.000 1.924 0.000) 1.924 4.991 ( -0.000 4.215 0.000) 4.215 5.015 ( -0.000 4.319 0.000) 4.319 5.618 ( 0.000 -1.866 -0.000) 1.866 5.631 ( 0.000 -2.146 -0.000) 2.146 5.699 ( -0.000 6.894 0.000) 6.894 6.023 ( -0.000 1.954 0.000) 1.954 6.274 ( 0.000 -6.960 -0.000) 6.960 6.503 ( -0.000 1.843 0.000) 1.843 6.515 ( 0.000 -18.057 -0.000) 18.057 6.708 ( 0.000 -21.678 -0.000) 21.678 7.296 ( 0.000 -5.586 -0.000) 5.586 7.461 ( -0.000 2.740 0.000) 2.740 7.645 ( -0.000 3.742 0.000) 3.742 7.757 ( 0.000 -9.402 -0.000) 9.402 7.776 ( -0.000 0.522 0.000) 0.522 8.018 ( 0.000 -12.094 -0.000) 12.094 8.616 ( -0.000 5.136 0.000) 5.136 8.672 ( 0.000 -4.102 -0.000) 4.102 8.710 ( -0.000 5.632 0.000) 5.632 8.771 ( 0.000 -10.462 -0.000) 10.462 9.247 ( -0.000 12.973 0.000) 12.973 9.428 ( -0.000 2.527 0.000) 2.527 9.812 ( 0.000 -0.135 -0.000) 0.135 9.892 ( -0.000 0.794 0.000) 0.794 10.278 ( -0.000 5.286 0.000) 5.286 10.325 ( -0.000 9.255 0.000) 9.255 11.253 ( -0.000 4.841 0.000) 4.841 11.650 ( 0.000 -1.401 -0.000) 1.401 11.727 ( -0.000 5.099 0.000) 5.099 12.047 ( 0.000 -3.933 -0.000) 3.933 12.159 ( -0.000 0.126 0.000) 0.126 12.879 ( -0.000 1.446 0.000) 1.446 13.131 ( 0.000 -5.088 -0.000) 5.088 13.564 ( 0.000 -25.020 -0.000) 25.020 15.725 ( -0.000 10.789 0.000) 10.789 15.825 ( -0.000 3.753 0.000) 3.753 20.615 ( -0.000 3.260 0.000) 3.260 20.847 ( -0.000 3.348 0.000) 3.348 21.268 ( -0.000 0.325 0.000) 0.325 21.432 ( -0.000 0.246 0.000) 0.246 21.460 ( -0.000 1.230 0.000) 1.230 21.610 ( 0.000 -7.550 -0.000) 7.550 22.340 ( 0.000 -3.841 -0.000) 3.841 22.348 ( 0.000 -4.938 -0.000) 4.938 24.163 ( -0.000 0.849 0.000) 0.849 24.403 ( -0.000 4.427 0.000) 4.427 25.166 ( -0.000 2.384 0.000) 2.384 25.237 ( 0.000 -17.239 -0.000) 17.239 25.977 ( -0.000 12.090 0.000) 12.090 26.503 ( -0.000 8.230 0.000) 8.230 ======================= Grid point 23 (16/117) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( 26.466 0.000 25.207) 36.549 1.304 ( 22.361 0.000 16.794) 27.965 1.951 ( -4.659 -0.000 -0.555) 4.692 2.008 ( 10.523 0.000 -12.633) 16.441 2.108 ( 36.585 0.000 -14.616) 39.397 2.434 ( -10.537 -0.000 15.967) 19.130 2.494 ( 11.893 0.000 1.409) 11.976 2.533 ( 12.407 0.000 -19.287) 22.933 2.721 ( 13.265 0.000 -2.627) 13.523 2.783 ( 4.383 0.000 7.582) 8.758 2.924 ( 5.258 0.000 -1.016) 5.356 3.137 ( 11.200 0.000 2.252) 11.425 3.587 ( 6.625 0.000 3.165) 7.342 3.594 ( -0.643 -0.000 3.134) 3.199 3.767 ( -1.728 -0.000 9.342) 9.500 3.913 ( 1.221 0.000 -6.765) 6.875 3.996 ( 10.564 0.000 9.748) 14.374 4.016 ( 6.499 0.000 0.404) 6.511 4.156 ( 8.644 0.000 -15.366) 17.630 4.252 ( -4.562 -0.000 -8.996) 10.087 4.363 ( 14.368 0.000 -1.181) 14.417 4.610 ( -5.891 -0.000 4.803) 7.601 4.740 ( -1.782 -0.000 -3.186) 3.651 4.980 ( 6.269 0.000 -0.954) 6.341 5.699 ( 7.561 0.000 -4.523) 8.811 5.911 ( 1.741 0.000 5.363) 5.639 5.921 ( 2.675 0.000 8.335) 8.754 6.027 ( 9.719 0.000 -7.835) 12.484 6.146 ( -10.033 -0.000 9.650) 13.920 6.619 ( 2.691 0.000 7.296) 7.777 6.675 ( -5.946 -0.000 -6.431) 8.759 6.721 ( -12.445 -0.000 -6.393) 13.991 7.392 ( 2.042 0.000 3.536) 4.083 7.420 ( -10.539 -0.000 2.863) 10.921 7.601 ( 1.297 0.000 -8.382) 8.482 7.689 ( -8.467 -0.000 1.563) 8.610 7.838 ( -2.007 -0.000 -12.004) 12.170 7.994 ( -7.106 -0.000 6.105) 9.368 8.501 ( -7.889 -0.000 -4.477) 9.070 8.649 ( 0.517 0.000 4.817) 4.845 8.829 ( -5.950 -0.000 0.276) 5.956 8.877 ( 0.552 0.000 3.730) 3.770 9.252 ( 7.748 0.000 4.596) 9.008 9.447 ( 0.500 0.000 7.715) 7.731 9.740 ( -0.433 -0.000 1.825) 1.876 9.869 ( -4.442 -0.000 -1.793) 4.790 10.042 ( -3.677 -0.000 -9.056) 9.773 10.718 ( 8.313 0.000 -19.868) 21.537 11.213 ( 0.785 0.000 9.835) 9.866 11.263 ( 12.611 0.000 -16.641) 20.880 11.894 ( -7.688 -0.000 23.172) 24.414 12.042 ( 11.875 0.000 -5.865) 13.244 12.318 ( 4.476 0.000 5.506) 7.096 12.653 ( -7.216 -0.000 2.892) 7.774 13.170 ( -4.146 -0.000 6.185) 7.446 13.839 ( -9.255 -0.000 -5.148) 10.591 15.301 ( -0.718 -0.000 -1.091) 1.306 15.332 ( 2.386 0.000 0.979) 2.579 20.757 ( 6.542 0.000 2.263) 6.923 21.115 ( 5.241 0.000 -8.803) 10.245 21.376 ( -0.457 -0.000 0.528) 0.698 21.426 ( -1.820 -0.000 -0.827) 1.999 21.671 ( 3.290 0.000 5.847) 6.709 21.729 ( -2.012 -0.000 -3.033) 3.640 22.263 ( -6.529 -0.000 1.402) 6.678 22.296 ( -7.587 -0.000 -0.192) 7.589 24.655 ( 7.721 0.000 -1.801) 7.928 24.797 ( -5.112 -0.000 2.924) 5.889 24.933 ( 1.737 0.000 0.945) 1.978 25.187 ( -4.562 -0.000 -2.962) 5.439 25.867 ( 6.363 0.000 0.988) 6.440 26.102 ( 11.787 0.000 -6.821) 13.618 ======================= Grid point 24 (17/117) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( 22.667 1.926 18.693) 29.444 1.660 ( 5.892 -10.969 10.645) 16.381 1.958 ( 2.694 -1.089 3.004) 4.180 2.176 ( 8.035 -2.207 -4.030) 9.256 2.338 ( 17.802 -12.973 -11.162) 24.694 2.383 ( -3.022 -3.813 -8.228) 9.559 2.622 ( 2.834 -3.297 -7.920) 9.034 2.727 ( 0.888 0.575 2.608) 2.815 2.800 ( 9.544 2.743 0.880) 9.969 2.816 ( 8.341 -4.648 0.395) 9.557 3.036 ( 15.827 -1.526 -3.677) 16.320 3.273 ( 16.768 0.197 4.631) 17.397 3.605 ( 2.188 -1.405 1.638) 3.074 3.719 ( 6.797 0.871 11.355) 13.262 3.752 ( 0.718 1.973 5.342) 5.740 3.814 ( -0.478 6.651 -5.444) 8.608 4.050 ( 7.038 2.386 -1.398) 7.561 4.082 ( 5.857 0.995 4.920) 7.713 4.199 ( 15.869 1.957 -0.712) 16.005 4.267 ( 3.743 -3.787 -17.419) 18.215 4.497 ( 8.679 -1.887 -6.182) 10.821 4.629 ( -2.658 -3.361 -2.068) 4.758 4.847 ( -0.738 -12.777 10.532) 16.575 5.025 ( 4.097 1.920 -1.267) 4.699 5.657 ( -1.019 5.186 -2.428) 5.816 5.882 ( 1.319 8.893 2.654) 9.374 5.994 ( -10.360 -0.327 7.930) 13.051 6.021 ( 8.215 2.456 -2.116) 8.831 6.219 ( 7.656 -8.686 1.160) 11.637 6.543 ( -2.343 1.984 2.665) 4.066 6.649 ( -4.952 -3.834 0.436) 6.278 6.750 ( -0.222 -5.919 -0.566) 5.950 7.218 ( -10.693 9.287 -2.293) 14.347 7.346 ( -10.546 6.708 0.744) 12.521 7.569 ( 1.419 -3.372 2.277) 4.309 7.610 ( -2.984 3.985 -10.644) 11.751 7.686 ( -2.352 6.970 -5.857) 9.403 7.971 ( -7.437 -3.240 3.721) 8.924 8.411 ( -4.900 1.371 -4.617) 6.870 8.627 ( -3.112 2.359 0.679) 3.964 8.801 ( -2.267 -0.946 2.571) 3.556 8.857 ( -0.543 2.772 5.465) 6.152 9.269 ( -1.393 0.781 5.870) 6.083 9.477 ( -5.303 5.115 4.563) 8.666 9.723 ( 3.882 -3.407 -4.399) 6.784 9.850 ( -4.212 0.052 0.137) 4.215 10.177 ( 7.413 -15.437 -2.569) 17.316 10.532 ( 7.264 13.550 -6.465) 16.678 11.334 ( 12.190 0.615 -10.095) 15.840 11.430 ( 4.767 -8.573 -3.823) 10.528 11.871 ( -4.770 0.514 12.484) 13.374 12.107 ( -0.845 2.904 0.053) 3.024 12.377 ( 7.692 -0.430 1.445) 7.838 12.681 ( -2.686 -7.813 6.318) 10.401 13.101 ( -5.682 4.042 6.180) 9.318 13.601 ( -6.890 12.767 -7.615) 16.385 15.368 ( -2.624 -7.863 -0.995) 8.349 15.452 ( 1.212 -9.239 0.788) 9.351 20.822 ( 5.983 0.434 1.595) 6.207 21.117 ( 5.096 2.897 -3.598) 6.878 21.352 ( 0.164 1.798 -1.415) 2.294 21.413 ( -2.671 -0.341 -0.676) 2.777 21.501 ( 2.074 8.211 1.858) 8.670 21.954 ( 0.991 -10.135 -0.667) 10.205 22.164 ( -8.518 2.511 1.350) 8.982 22.229 ( -5.209 -0.353 0.141) 5.222 24.488 ( 6.446 22.248 2.386) 23.286 24.680 ( -0.902 0.290 -4.403) 4.504 24.960 ( -1.421 0.173 5.972) 6.142 25.169 ( -3.586 0.805 -2.307) 4.339 25.999 ( 6.800 -5.807 1.035) 9.002 26.350 ( 6.435 -13.548 -5.352) 15.924 ======================= Grid point 25 (18/117) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 12.899 -5.641 8.694) 16.547 1.783 ( -7.917 -3.476 10.590) 13.671 1.988 ( 4.376 -0.406 2.914) 5.273 2.321 ( 3.501 -1.760 -6.114) 7.262 2.524 ( 17.265 3.211 -14.817) 22.976 2.594 ( -0.124 -2.502 -4.355) 5.024 2.651 ( 6.076 -10.007 -3.726) 12.285 2.783 ( 4.543 -4.371 -7.333) 9.670 2.850 ( 9.036 -1.538 10.050) 13.602 2.959 ( 10.833 -2.094 -1.660) 11.158 3.178 ( 7.595 -0.042 1.416) 7.726 3.446 ( -0.988 10.099 3.814) 10.840 3.581 ( 6.344 -5.588 1.901) 8.665 3.679 ( -0.252 -0.427 4.826) 4.851 3.780 ( 12.177 0.353 0.947) 12.219 3.885 ( 0.650 -1.651 4.504) 4.841 4.109 ( 4.495 3.414 2.445) 6.151 4.165 ( 9.027 -7.331 -1.611) 11.740 4.222 ( 2.556 3.575 -10.940) 11.790 4.406 ( 8.866 -8.728 -3.308) 12.874 4.607 ( 7.164 -0.703 -4.499) 8.488 4.692 ( 7.526 -2.318 -2.147) 8.163 4.973 ( -3.044 1.829 2.271) 4.216 5.117 ( 0.404 -9.865 10.716) 14.571 5.550 ( -1.166 5.072 -3.234) 6.127 5.655 ( -6.978 12.308 -0.008) 14.149 5.843 ( -1.185 3.446 -4.761) 5.995 5.996 ( -9.082 5.009 11.197) 15.262 6.387 ( 4.886 2.534 1.250) 5.645 6.600 ( 1.158 -0.881 2.009) 2.481 6.747 ( -5.272 -9.200 -1.793) 10.754 6.816 ( -2.843 0.641 -3.005) 4.186 6.993 ( 9.300 -0.181 0.383) 9.310 7.150 ( -6.967 1.189 4.181) 8.212 7.383 ( 1.178 13.574 -9.522) 16.623 7.579 ( -4.398 0.247 -5.928) 7.386 7.697 ( 6.760 -2.470 -0.494) 7.213 7.995 ( -5.637 -5.546 6.433) 10.194 8.275 ( -8.999 6.199 -4.805) 11.937 8.523 ( -4.840 3.671 -4.391) 7.495 8.806 ( -1.011 0.146 5.272) 5.370 8.840 ( -0.425 -0.528 5.516) 5.558 9.265 ( -7.513 -2.819 5.181) 9.552 9.300 ( -1.075 8.245 2.578) 8.705 9.703 ( 0.530 2.864 -8.189) 8.691 9.943 ( -0.394 -8.800 3.112) 9.342 10.414 ( 2.864 5.541 -2.126) 6.590 10.575 ( 6.924 -17.541 -0.531) 18.865 11.392 ( 12.486 3.543 -12.032) 17.698 11.555 ( 3.579 -2.481 -3.932) 5.867 11.793 ( -8.263 3.538 6.944) 11.358 12.057 ( -1.748 -0.188 7.975) 8.166 12.431 ( 8.307 3.513 -2.313) 9.312 12.851 ( 1.608 -5.679 10.524) 12.066 12.954 ( -6.674 5.685 1.864) 8.963 13.302 ( -2.222 10.900 -9.062) 14.348 15.487 ( -4.069 -9.046 -1.105) 9.981 15.642 ( 0.255 -10.142 0.835) 10.179 20.869 ( 4.905 0.710 0.637) 4.997 21.116 ( 4.349 1.660 0.618) 4.696 21.307 ( -0.689 2.721 -3.858) 4.771 21.365 ( 0.898 3.238 0.554) 3.405 21.443 ( -1.471 0.521 0.409) 1.614 21.957 ( -6.521 5.571 0.880) 8.622 22.133 ( -1.585 -3.787 -0.372) 4.122 22.212 ( -0.960 -1.296 0.696) 1.756 24.221 ( 7.148 15.434 2.028) 17.129 24.644 ( -2.012 0.369 -5.327) 5.706 24.951 ( -2.492 1.385 7.896) 8.395 25.089 ( -2.231 2.460 -3.288) 4.673 26.184 ( 6.038 -6.851 0.910) 9.178 26.583 ( 1.415 -8.714 -2.939) 9.305 ======================= Grid point 26 (19/117) ======================= q-point: ( 0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( -8.093 -0.637 9.804) 12.728 1.860 ( 10.429 -6.440 1.513) 12.350 2.090 ( 6.286 -2.877 4.040) 8.007 2.294 ( -0.350 4.264 -7.302) 8.464 2.455 ( -1.146 2.096 -3.016) 3.847 2.652 ( 7.045 -1.229 -9.048) 11.533 2.798 ( 4.581 4.337 -5.093) 8.107 2.918 ( 7.860 -7.549 -3.565) 11.466 3.012 ( 13.717 2.445 9.207) 16.701 3.103 ( 4.586 0.953 -2.313) 5.224 3.176 ( 6.725 3.879 -0.227) 7.767 3.323 ( 2.351 1.681 2.186) 3.623 3.626 ( 0.545 3.475 4.379) 5.617 3.719 ( 6.423 3.211 2.562) 7.624 3.851 ( -0.389 5.126 0.047) 5.141 3.977 ( 6.279 -5.673 -1.131) 8.537 4.113 ( 4.231 -7.862 0.059) 8.928 4.177 ( -0.678 1.555 -3.114) 3.546 4.416 ( -1.216 -1.437 0.343) 1.914 4.583 ( 3.459 -5.485 0.498) 6.504 4.656 ( 5.842 -10.026 0.256) 11.607 4.844 ( 5.152 -1.775 -0.771) 5.503 4.996 ( 0.996 -2.758 0.360) 2.955 5.061 ( -2.026 13.469 -1.503) 13.703 5.357 ( -0.846 12.693 -0.764) 12.744 5.540 ( -2.971 -2.908 4.767) 6.326 5.809 ( -10.182 -1.949 2.208) 10.599 5.868 ( 3.024 -0.699 -0.980) 3.255 6.295 ( -10.923 5.042 -4.070) 12.700 6.480 ( -5.732 -0.140 -1.460) 5.916 6.668 ( 0.565 12.785 10.902) 16.812 6.744 ( -17.296 -1.843 -0.820) 17.413 7.129 ( 5.104 8.256 -3.013) 10.163 7.232 ( 15.943 2.240 -2.011) 16.224 7.425 ( 15.248 -15.403 1.824) 21.751 7.526 ( -2.634 -0.615 -8.326) 8.754 7.799 ( 8.754 -1.724 1.002) 8.978 7.989 ( -13.636 9.408 -5.299) 17.393 8.080 ( -2.412 -4.556 8.329) 9.796 8.384 ( -3.776 4.144 -6.845) 8.848 8.807 ( -1.391 -0.142 5.725) 5.893 8.887 ( 0.095 -2.994 2.745) 4.063 9.168 ( 0.670 6.081 4.131) 7.382 9.300 ( -6.871 -7.597 1.214) 10.315 9.664 ( 3.649 2.171 -5.491) 6.941 10.104 ( 1.116 -7.782 3.103) 8.451 10.324 ( -3.482 4.464 -1.030) 5.754 10.856 ( -4.347 -12.239 -5.191) 13.987 11.395 ( 9.216 4.552 -7.319) 12.619 11.610 ( 2.161 -2.591 -3.183) 4.638 11.710 ( -2.454 1.260 8.500) 8.936 12.063 ( -3.631 0.136 3.463) 5.020 12.439 ( 9.046 3.851 0.374) 9.839 12.784 ( -2.331 6.832 4.387) 8.447 12.895 ( 2.757 6.490 1.205) 7.154 13.176 ( -1.650 -0.585 -5.296) 5.578 15.602 ( -3.565 -8.411 -1.002) 9.190 15.810 ( 0.217 -7.747 0.891) 7.801 20.898 ( 3.698 0.988 0.430) 3.852 21.147 ( 2.229 -0.491 1.918) 2.982 21.226 ( -0.784 3.288 -4.669) 5.764 21.336 ( 2.408 2.437 0.389) 3.449 21.424 ( -2.848 -0.662 0.111) 2.926 21.779 ( -7.129 6.198 1.736) 9.605 22.159 ( 0.609 -0.341 -0.050) 0.700 22.237 ( 0.486 -0.655 0.219) 0.845 24.082 ( 6.764 8.665 1.525) 11.098 24.607 ( -1.440 0.477 -2.647) 3.051 24.874 ( -4.885 3.686 0.249) 6.125 25.064 ( -0.218 -1.076 1.149) 1.589 26.356 ( 5.272 -5.484 0.661) 7.636 26.681 ( -1.911 -3.575 -1.275) 4.249 ======================= Grid point 27 (20/117) ======================= q-point: ( 0.60 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( -0.223 4.359 4.333) 6.150 2.065 ( -0.816 -8.041 0.182) 8.085 2.181 ( 0.262 3.050 -2.702) 4.083 2.198 ( 3.796 -1.793 0.496) 4.227 2.412 ( -0.795 2.275 -1.204) 2.694 2.666 ( 7.459 10.350 -0.652) 12.774 2.775 ( 9.221 0.017 -3.834) 9.986 3.028 ( 7.657 2.910 -1.018) 8.255 3.094 ( 13.760 6.406 5.405) 16.112 3.148 ( 0.520 -0.663 -1.929) 2.105 3.214 ( -1.158 -10.100 -2.602) 10.494 3.281 ( 5.425 9.626 1.023) 11.096 3.548 ( 0.871 1.158 1.990) 2.462 3.698 ( -2.211 8.974 1.132) 9.312 3.760 ( 0.487 1.725 3.296) 3.752 4.007 ( -4.798 6.935 -1.141) 8.510 4.100 ( -0.711 2.481 -1.594) 3.033 4.225 ( -8.226 5.209 -2.397) 10.027 4.478 ( 11.356 -2.386 2.417) 11.853 4.527 ( -1.879 3.427 -0.458) 3.935 4.813 ( 2.901 -3.360 -0.785) 4.507 4.871 ( 2.367 9.109 -2.232) 9.673 4.923 ( -0.610 -4.668 -1.526) 4.949 5.084 ( -3.830 -1.526 1.281) 4.318 5.293 ( 3.724 -13.357 2.945) 14.176 5.490 ( 0.745 6.761 -1.926) 7.069 5.884 ( -5.560 -11.166 1.100) 12.522 5.941 ( 5.019 -1.934 -1.798) 5.671 6.105 ( -13.848 -1.141 -3.176) 14.253 6.402 ( -2.492 12.182 3.849) 13.016 6.491 ( -10.780 -2.486 5.123) 12.191 6.570 ( -6.774 7.748 1.723) 10.434 7.049 ( 6.050 4.630 0.894) 7.671 7.244 ( 10.858 12.036 -0.252) 16.212 7.479 ( -3.337 -1.079 -9.772) 10.382 7.634 ( -11.356 7.237 -2.232) 13.649 7.761 ( 5.772 -1.523 0.879) 6.034 7.999 ( 8.324 -8.466 2.786) 12.195 8.175 ( 1.599 -4.617 5.771) 7.562 8.333 ( 2.534 -1.486 -6.041) 6.718 8.818 ( -1.092 -0.963 2.229) 2.663 8.939 ( 0.366 -1.629 -1.800) 2.455 9.122 ( 4.855 2.121 6.198) 8.154 9.408 ( -7.050 -10.268 0.884) 12.486 9.645 ( 4.536 3.188 -2.867) 6.242 10.181 ( -9.477 3.037 -1.297) 10.036 10.261 ( 6.652 -4.363 2.872) 8.458 10.934 ( -12.052 -9.021 -6.420) 16.366 11.392 ( 7.307 3.777 -1.807) 8.422 11.663 ( 0.330 -1.297 -0.913) 1.620 11.718 ( 1.174 0.085 7.571) 7.662 11.989 ( -5.097 1.801 -5.496) 7.709 12.487 ( 7.460 2.560 5.903) 9.851 12.687 ( -0.971 1.920 -2.544) 3.332 12.803 ( 8.285 8.017 3.296) 11.990 13.153 ( -4.629 0.132 -2.967) 5.500 15.711 ( -1.796 -6.934 -0.853) 7.213 15.925 ( 0.360 -4.456 0.886) 4.557 20.903 ( 2.607 2.608 1.008) 3.823 21.133 ( -1.157 1.086 -6.112) 6.315 21.208 ( 1.220 -0.065 2.917) 3.163 21.326 ( 1.316 0.381 0.830) 1.602 21.415 ( -2.671 -1.452 -0.087) 3.042 21.615 ( -5.022 5.628 1.268) 7.648 22.169 ( 1.653 0.499 0.537) 1.808 22.239 ( -0.352 0.395 -0.125) 0.543 24.045 ( 6.843 3.683 1.111) 7.850 24.588 ( -0.951 0.309 3.482) 3.623 24.756 ( -5.336 2.081 -7.568) 9.491 25.101 ( 0.361 -1.969 2.660) 3.329 26.481 ( 4.964 -2.374 0.145) 5.504 26.685 ( -3.972 -0.950 -0.121) 4.086 ======================= Grid point 29 (21/117) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( 2.247 0.048 2.506) 3.366 2.090 ( -3.495 -2.360 -2.118) 4.719 2.167 ( 1.605 3.682 1.064) 4.155 2.284 ( 2.091 0.855 2.138) 3.110 2.334 ( -1.041 -0.131 -3.965) 4.102 2.544 ( 0.743 7.639 1.693) 7.859 2.829 ( 12.390 7.645 -3.160) 14.898 2.978 ( 1.294 9.524 -1.078) 9.672 3.062 ( 14.487 13.996 -4.770) 20.700 3.097 ( 5.382 9.687 4.687) 12.032 3.162 ( -1.861 0.203 4.281) 4.672 3.365 ( 0.848 0.063 -4.357) 4.439 3.438 ( -14.430 9.700 6.053) 18.411 3.645 ( -0.235 -4.563 -5.005) 6.777 3.689 ( -5.964 -0.524 2.973) 6.684 3.794 ( -0.024 4.945 -0.652) 4.988 3.937 ( 0.682 7.518 1.631) 7.723 4.123 ( -0.667 2.994 0.904) 3.198 4.471 ( -2.275 11.479 -0.869) 11.735 4.517 ( -3.350 0.830 -1.398) 3.724 4.766 ( 1.776 -9.522 -1.994) 9.889 4.868 ( -1.881 2.822 0.928) 3.516 4.959 ( -1.188 -2.991 -0.848) 3.328 5.095 ( 0.339 6.676 -0.738) 6.725 5.507 ( 7.119 -8.392 -3.602) 11.579 5.583 ( 1.410 -10.081 3.170) 10.661 5.936 ( 3.616 7.846 -2.773) 9.074 6.020 ( -5.827 -3.383 3.912) 7.791 6.059 ( -1.889 -7.261 0.321) 7.510 6.203 ( -4.155 5.968 3.690) 8.155 6.326 ( -8.103 6.784 -1.911) 10.739 6.425 ( -2.463 4.990 -0.178) 5.568 7.047 ( 3.235 2.549 3.164) 5.193 7.174 ( 2.999 0.136 3.237) 4.415 7.433 ( -0.248 1.834 -6.492) 6.751 7.478 ( -4.614 -2.752 -1.080) 5.480 7.767 ( -0.198 3.072 -1.201) 3.304 8.213 ( 3.769 -7.462 0.959) 8.414 8.309 ( 2.039 -6.520 3.126) 7.512 8.351 ( 2.960 4.008 -1.453) 5.189 8.816 ( -1.249 -0.414 -0.410) 1.378 8.938 ( 0.498 2.245 -2.742) 3.579 9.226 ( 5.000 -5.016 3.214) 7.777 9.465 ( -5.662 -2.773 2.028) 6.623 9.683 ( 5.606 -3.400 -1.075) 6.644 10.035 ( -9.074 2.492 -1.237) 9.491 10.401 ( 8.840 -1.215 1.793) 9.102 10.921 ( -10.271 -2.829 -2.925) 11.048 11.390 ( 4.525 2.799 -0.099) 5.322 11.648 ( -1.167 1.560 0.012) 1.948 11.763 ( 2.120 -0.667 9.709) 9.960 11.901 ( -5.218 -0.938 -11.791) 12.928 12.430 ( 2.002 8.984 1.319) 9.298 12.742 ( 0.705 -6.155 2.706) 6.760 12.825 ( 12.603 1.732 1.719) 12.837 13.058 ( -8.623 1.541 -2.704) 9.167 15.802 ( -0.206 -4.200 -0.684) 4.261 15.982 ( 0.381 -1.413 0.733) 1.636 20.854 ( 0.728 4.727 0.748) 4.841 21.094 ( 3.768 4.169 -4.788) 7.383 21.217 ( -6.858 -4.440 3.441) 8.865 21.367 ( 2.554 -1.915 0.095) 3.194 21.421 ( -1.621 -1.640 -0.455) 2.350 21.488 ( -1.821 4.763 0.723) 5.150 22.183 ( 2.017 -0.121 0.527) 2.088 22.224 ( -1.333 0.017 -0.148) 1.341 24.080 ( 5.562 0.109 0.609) 5.597 24.581 ( -2.692 1.644 8.574) 9.136 24.685 ( -2.031 -2.843 -11.226) 11.757 25.148 ( 0.423 -1.953 1.646) 2.589 26.515 ( 3.265 4.065 -0.620) 5.250 26.662 ( -3.343 -1.289 0.872) 3.688 ======================= Grid point 30 (22/117) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( -0.000 4.501 0.000) 4.501 2.082 ( -0.000 6.795 0.000) 6.795 2.093 ( -0.000 4.876 0.000) 4.876 2.126 ( -0.000 9.670 0.000) 9.670 2.417 ( 0.000 -1.949 -0.000) 1.949 2.430 ( -0.000 6.425 0.000) 6.425 2.606 ( -0.000 14.948 0.000) 14.948 2.814 ( -0.000 11.755 0.000) 11.755 2.871 ( -0.000 13.289 0.000) 13.289 2.946 ( -0.000 8.546 0.000) 8.546 3.142 ( 0.000 -4.504 -0.000) 4.504 3.279 ( 0.000 -2.108 -0.000) 2.108 3.346 ( -0.000 3.814 0.000) 3.814 3.660 ( -0.000 2.709 0.000) 2.709 3.743 ( 0.000 -6.980 -0.000) 6.980 3.765 ( -0.000 0.832 0.000) 0.832 3.873 ( -0.000 21.583 0.000) 21.583 3.890 ( -0.000 2.922 0.000) 2.922 4.249 ( -0.000 8.082 0.000) 8.082 4.603 ( 0.000 -1.095 -0.000) 1.095 4.761 ( -0.000 4.526 0.000) 4.526 4.847 ( 0.000 -1.810 -0.000) 1.810 4.912 ( -0.000 9.926 0.000) 9.926 5.087 ( 0.000 -5.694 -0.000) 5.694 5.588 ( 0.000 -3.241 -0.000) 3.241 5.791 ( -0.000 7.255 0.000) 7.255 5.839 ( 0.000 -12.167 -0.000) 12.167 5.899 ( -0.000 9.012 0.000) 9.012 6.081 ( -0.000 3.665 0.000) 3.665 6.175 ( -0.000 4.247 0.000) 4.247 6.239 ( 0.000 -9.699 -0.000) 9.699 6.435 ( 0.000 -5.072 -0.000) 5.072 7.064 ( 0.000 -2.864 -0.000) 2.864 7.310 ( 0.000 -11.864 -0.000) 11.864 7.462 ( 0.000 -4.723 -0.000) 4.723 7.546 ( 0.000 -6.288 -0.000) 6.288 7.679 ( -0.000 4.551 0.000) 4.551 8.185 ( -0.000 12.250 0.000) 12.250 8.406 ( 0.000 -9.002 -0.000) 9.002 8.453 ( 0.000 -8.086 -0.000) 8.086 8.818 ( 0.000 -0.113 -0.000) 0.113 8.848 ( -0.000 6.477 0.000) 6.477 9.355 ( 0.000 -4.797 -0.000) 4.797 9.462 ( 0.000 -0.737 -0.000) 0.737 9.818 ( 0.000 -5.352 -0.000) 5.352 9.908 ( -0.000 4.690 0.000) 4.690 10.448 ( -0.000 2.640 0.000) 2.640 10.802 ( -0.000 9.454 0.000) 9.454 11.374 ( -0.000 2.078 0.000) 2.078 11.610 ( -0.000 0.837 0.000) 0.837 11.830 ( 0.000 -0.676 -0.000) 0.676 11.882 ( 0.000 -4.422 -0.000) 4.422 12.283 ( -0.000 7.734 0.000) 7.734 12.874 ( 0.000 -6.553 -0.000) 6.553 12.910 ( -0.000 1.659 0.000) 1.659 13.007 ( 0.000 -7.564 -0.000) 7.564 15.845 ( 0.000 -0.643 -0.000) 0.643 15.986 ( -0.000 1.539 0.000) 1.539 20.769 ( -0.000 4.934 0.000) 4.934 21.013 ( -0.000 5.614 0.000) 5.614 21.273 ( 0.000 -4.215 -0.000) 4.215 21.403 ( -0.000 0.113 0.000) 0.113 21.426 ( 0.000 -0.253 -0.000) 0.253 21.449 ( 0.000 -1.899 -0.000) 1.899 22.220 ( 0.000 -1.894 -0.000) 1.894 22.221 ( 0.000 -1.551 -0.000) 1.551 24.131 ( 0.000 -1.741 -0.000) 1.741 24.526 ( -0.000 2.729 0.000) 2.729 24.769 ( 0.000 -8.282 -0.000) 8.282 25.182 ( 0.000 -1.177 -0.000) 1.177 26.403 ( -0.000 9.318 0.000) 9.318 26.660 ( -0.000 0.659 0.000) 0.659 ======================= Grid point 35 (23/117) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( -10.383 -0.000 5.174) 11.601 1.730 ( 23.980 0.000 23.384) 33.494 1.976 ( 2.191 0.000 2.518) 3.338 2.143 ( 8.745 0.000 -10.906) 13.979 2.308 ( 8.967 0.000 2.272) 9.251 2.338 ( 5.484 0.000 -8.165) 9.836 2.595 ( -0.025 -0.000 -0.316) 0.317 2.766 ( -3.064 -0.000 -4.116) 5.131 2.826 ( -0.295 -0.000 6.027) 6.035 2.927 ( 20.808 0.000 -14.138) 25.156 3.217 ( 13.359 0.000 -2.418) 13.576 3.453 ( 13.706 0.000 1.834) 13.828 3.636 ( 3.626 0.000 3.653) 5.147 3.710 ( -2.110 -0.000 2.418) 3.209 3.811 ( 4.698 0.000 0.284) 4.707 3.909 ( 3.898 0.000 -5.496) 6.738 4.079 ( 3.563 0.000 -3.817) 5.221 4.193 ( 4.367 0.000 1.689) 4.682 4.378 ( 21.878 0.000 -11.683) 24.802 4.393 ( 20.857 0.000 7.230) 22.075 4.501 ( -6.839 -0.000 -0.489) 6.856 4.580 ( 5.571 0.000 0.582) 5.601 4.705 ( -2.093 -0.000 8.315) 8.574 5.128 ( 10.668 0.000 -5.134) 11.839 5.760 ( 2.274 0.000 -2.640) 3.484 5.811 ( -20.449 -0.000 14.685) 25.175 6.043 ( 4.273 0.000 -7.415) 8.558 6.108 ( 8.212 0.000 9.054) 12.223 6.186 ( 5.501 0.000 -4.339) 7.007 6.540 ( -2.020 -0.000 1.748) 2.671 6.561 ( -3.998 -0.000 -0.884) 4.095 6.671 ( -1.363 -0.000 4.251) 4.464 7.204 ( -10.796 -0.000 1.480) 10.897 7.291 ( -13.453 -0.000 -7.153) 15.236 7.507 ( -8.937 -0.000 -2.859) 9.383 7.526 ( -3.473 -0.000 7.334) 8.115 7.789 ( 1.616 0.000 -7.759) 7.925 7.843 ( -4.281 -0.000 -6.344) 7.654 8.356 ( -6.744 -0.000 -2.904) 7.343 8.594 ( -8.408 -0.000 -0.262) 8.412 8.776 ( -1.042 -0.000 1.324) 1.685 8.906 ( 1.352 0.000 5.237) 5.409 9.302 ( -2.637 -0.000 4.853) 5.523 9.490 ( -0.874 -0.000 10.176) 10.214 9.738 ( -4.958 -0.000 -4.488) 6.687 9.810 ( -0.041 -0.000 -4.340) 4.340 10.083 ( 15.148 0.000 -6.099) 16.330 10.753 ( 1.361 0.000 -2.368) 2.731 11.346 ( 5.944 0.000 11.453) 12.903 11.466 ( 16.123 0.000 -18.755) 24.733 11.857 ( -4.670 -0.000 9.902) 10.948 12.160 ( 0.384 0.000 -2.625) 2.653 12.450 ( 6.785 0.000 1.523) 6.954 12.584 ( 0.920 0.000 3.745) 3.856 13.098 ( -7.281 -0.000 9.147) 11.691 13.608 ( -10.277 -0.000 -8.237) 13.170 15.280 ( -0.716 -0.000 -1.119) 1.329 15.387 ( 2.422 0.000 1.016) 2.626 20.881 ( 4.240 0.000 1.272) 4.427 21.183 ( 4.426 0.000 -2.355) 5.013 21.364 ( -2.674 -0.000 -1.197) 2.929 21.381 ( 1.084 0.000 -0.952) 1.443 21.723 ( 2.232 0.000 -2.560) 3.396 21.762 ( 3.114 0.000 3.615) 4.771 22.129 ( -8.466 -0.000 -0.463) 8.478 22.138 ( -6.376 -0.000 1.288) 6.505 24.646 ( -3.911 -0.000 -3.836) 5.478 24.716 ( -5.038 -0.000 6.005) 7.839 25.057 ( 6.277 0.000 3.754) 7.314 25.095 ( -2.993 -0.000 -4.141) 5.110 26.024 ( 7.968 0.000 1.639) 8.135 26.275 ( 8.426 0.000 -4.922) 9.758 ======================= Grid point 36 (24/117) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( -19.144 -7.476 2.228) 20.672 1.919 ( 15.521 5.970 18.114) 24.589 2.028 ( 6.091 -0.841 2.069) 6.488 2.259 ( 2.066 -5.221 -3.450) 6.590 2.453 ( 11.139 -9.340 -9.746) 17.502 2.522 ( 1.685 -5.165 -7.359) 9.148 2.669 ( -5.518 1.326 -2.471) 6.190 2.764 ( 15.109 -8.494 1.440) 17.392 2.855 ( 2.161 -4.292 8.634) 9.881 3.037 ( 11.409 1.289 -8.041) 14.018 3.311 ( 9.705 -0.940 -2.308) 10.020 3.497 ( 4.558 4.324 -3.473) 7.179 3.599 ( -1.797 2.827 1.837) 3.821 3.751 ( -1.991 3.951 -2.241) 4.959 3.827 ( 3.575 -6.044 5.306) 8.801 3.988 ( 12.937 3.171 -6.613) 14.872 4.192 ( 5.277 -3.144 1.807) 6.403 4.215 ( 3.392 -0.406 3.377) 4.804 4.303 ( -2.130 5.680 -1.047) 6.156 4.419 ( 16.005 9.081 -5.499) 19.205 4.579 ( -2.648 -2.227 -2.336) 4.174 4.813 ( 25.534 -5.219 -2.548) 26.186 4.908 ( -0.053 -15.040 15.156) 21.352 5.121 ( 5.867 10.450 -2.715) 12.288 5.585 ( -6.077 3.640 3.400) 7.857 5.773 ( -6.471 0.348 1.102) 6.573 5.884 ( -4.643 14.077 0.634) 14.836 6.101 ( 1.631 6.852 -0.897) 7.100 6.449 ( -5.119 -12.230 -2.010) 13.409 6.494 ( 4.518 -1.311 5.904) 7.548 6.564 ( -2.981 -1.074 0.873) 3.286 6.783 ( 4.853 -7.948 0.257) 9.316 7.039 ( -7.342 5.145 -8.053) 12.051 7.089 ( -8.322 0.853 7.678) 11.355 7.444 ( -6.754 -1.744 -8.722) 11.169 7.594 ( -1.237 -3.558 4.192) 5.636 7.680 ( 2.099 5.738 -0.749) 6.155 7.855 ( -2.480 -4.212 -5.854) 7.626 8.272 ( -7.158 2.237 -2.015) 7.765 8.479 ( -10.200 0.953 -2.991) 10.672 8.777 ( -1.530 -1.317 0.363) 2.051 8.899 ( 1.444 3.476 4.747) 6.058 9.252 ( -2.318 3.312 6.881) 7.981 9.477 ( 1.282 6.554 7.840) 10.298 9.721 ( 1.023 3.554 -10.724) 11.343 9.736 ( -6.213 -8.458 -1.728) 10.636 10.398 ( 12.993 -13.227 -1.684) 18.617 10.616 ( 2.489 11.622 1.768) 12.016 11.515 ( 5.054 -4.590 3.284) 7.576 11.556 ( 13.662 1.763 -15.217) 20.526 11.802 ( -6.735 3.344 7.401) 10.551 12.077 ( -2.884 3.017 4.335) 6.018 12.558 ( 9.857 0.386 -2.524) 10.183 12.704 ( 2.683 -9.107 3.326) 10.059 13.009 ( -7.713 3.699 10.388) 13.456 13.404 ( -8.396 7.625 -9.459) 14.768 15.318 ( -1.735 -5.258 -1.228) 5.671 15.488 ( 1.564 -7.607 1.033) 7.835 20.914 ( 2.466 0.165 0.354) 2.497 21.199 ( 4.094 2.053 -0.268) 4.588 21.336 ( -0.845 1.142 -1.120) 1.809 21.387 ( 0.690 0.308 -1.341) 1.539 21.559 ( 3.226 9.872 0.681) 10.408 21.966 ( -3.552 0.885 -0.648) 3.717 21.996 ( -4.551 -6.339 1.077) 7.878 22.145 ( -3.404 -3.996 0.518) 5.275 24.545 ( -1.376 11.171 2.801) 11.599 24.610 ( -2.406 1.693 -2.806) 4.065 25.000 ( 1.109 3.139 2.921) 4.429 25.110 ( -0.959 2.563 -1.464) 3.104 26.149 ( 7.053 -4.568 1.217) 8.490 26.430 ( 3.564 -8.634 -3.067) 9.831 ======================= Grid point 37 (25/117) ======================= q-point: ( 0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( -13.381 -14.655 5.347) 20.552 1.992 ( 10.875 4.424 11.160) 16.198 2.122 ( 6.822 -1.416 2.684) 7.467 2.301 ( -0.421 0.090 -5.750) 5.766 2.506 ( -2.112 4.306 -1.626) 5.065 2.600 ( -1.116 -3.035 -8.837) 9.410 2.713 ( 1.452 -10.184 -7.563) 12.768 2.867 ( 2.284 -2.604 -1.317) 3.706 3.162 ( 14.804 -2.880 -5.470) 16.043 3.176 ( 12.633 -4.346 6.199) 14.728 3.366 ( 6.076 8.882 -0.662) 10.782 3.423 ( -3.186 4.855 4.157) 7.142 3.649 ( 8.494 -10.448 0.554) 13.476 3.759 ( 2.303 -8.445 -4.122) 9.675 3.866 ( -3.386 4.724 1.583) 6.024 4.037 ( 9.443 -1.471 -0.019) 9.557 4.081 ( -4.347 7.443 3.127) 9.169 4.252 ( 4.379 3.332 3.868) 6.726 4.376 ( 3.554 2.382 -1.870) 4.669 4.436 ( 4.770 -6.825 -4.132) 9.295 4.679 ( 2.858 -7.056 -1.786) 7.820 4.872 ( -0.198 8.490 0.658) 8.517 5.052 ( 5.063 -1.277 5.131) 7.321 5.227 ( 13.963 -1.963 3.151) 14.448 5.457 ( -9.533 13.793 -0.241) 16.768 5.602 ( 6.134 3.554 -1.465) 7.239 5.718 ( -6.254 0.554 1.004) 6.359 5.963 ( -1.119 8.203 1.958) 8.507 6.256 ( -16.075 5.942 -2.961) 17.392 6.425 ( -14.732 0.825 -0.424) 14.761 6.575 ( -5.344 5.977 -2.566) 8.418 6.904 ( 6.013 3.756 9.340) 11.726 7.191 ( 9.804 -16.602 -5.315) 20.000 7.260 ( 8.140 -13.206 7.735) 17.335 7.360 ( 0.781 3.778 -7.644) 8.562 7.487 ( -0.254 3.478 -4.299) 5.536 7.805 ( 3.227 -6.759 2.506) 7.898 7.911 ( -4.325 -5.963 -2.256) 7.704 8.078 ( -7.404 8.874 1.296) 11.630 8.360 ( -7.816 1.559 -5.655) 9.773 8.802 ( -1.437 -2.651 2.287) 3.785 8.859 ( -0.149 1.998 2.111) 2.910 9.177 ( -3.151 2.874 4.505) 6.204 9.374 ( 4.114 8.717 4.269) 10.542 9.693 ( 3.318 -1.710 -8.929) 9.678 9.875 ( -6.340 -12.015 2.133) 13.752 10.443 ( 1.179 9.177 0.782) 9.285 10.680 ( 3.174 -6.416 -2.144) 7.472 11.545 ( 3.762 3.480 -4.823) 7.038 11.595 ( 6.584 1.412 -8.622) 10.940 11.733 ( -2.437 -0.237 8.655) 8.995 12.053 ( -1.674 0.861 5.747) 6.048 12.585 ( 5.579 4.195 -0.712) 7.017 12.855 ( 0.321 -0.079 -0.061) 0.336 12.948 ( 0.039 -1.789 10.849) 10.996 13.176 ( -5.294 5.820 -9.934) 12.673 15.414 ( -2.396 -7.977 -1.005) 8.390 15.660 ( 0.697 -9.268 0.831) 9.331 20.930 ( 1.230 -0.033 -0.145) 1.239 21.205 ( 4.204 2.099 0.154) 4.701 21.278 ( -0.473 3.903 -0.595) 3.976 21.377 ( -1.272 -0.005 -1.055) 1.652 21.459 ( 4.002 6.036 0.336) 7.250 21.797 ( -8.767 4.721 0.926) 10.000 22.119 ( 0.022 -4.591 -0.321) 4.602 22.203 ( -0.460 -3.559 0.559) 3.632 24.335 ( 3.096 12.154 1.841) 12.676 24.576 ( -1.939 -0.673 -2.958) 3.600 24.943 ( -1.202 6.733 2.919) 7.436 25.045 ( -0.909 -0.062 -1.304) 1.590 26.314 ( 6.016 -5.780 0.784) 8.380 26.571 ( -1.417 -6.006 -1.454) 6.339 ======================= Grid point 38 (26/117) ======================= q-point: ( 0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( -4.185 -7.354 4.240) 9.464 2.048 ( 5.645 2.132 6.911) 9.175 2.191 ( -1.140 1.621 -6.773) 7.057 2.236 ( 1.662 0.406 1.801) 2.484 2.416 ( -1.065 1.661 -1.993) 2.804 2.702 ( 0.720 -10.757 -4.584) 11.715 2.846 ( 6.040 -1.835 -4.548) 7.780 2.940 ( -3.002 -6.695 0.229) 7.340 3.175 ( 3.450 8.478 -0.284) 9.157 3.206 ( 0.141 5.611 -0.676) 5.654 3.333 ( 8.171 1.122 -0.007) 8.248 3.381 ( 2.273 1.721 1.424) 3.187 3.712 ( -4.072 10.129 6.069) 12.491 3.852 ( 8.262 -0.486 -3.017) 8.809 3.880 ( 4.071 5.731 1.189) 7.130 4.073 ( -1.901 1.999 1.577) 3.177 4.096 ( 6.683 3.583 -0.052) 7.583 4.231 ( -0.846 3.067 0.660) 3.249 4.357 ( -2.574 -13.742 -0.380) 13.986 4.648 ( 1.742 -14.110 0.216) 14.219 4.785 ( 8.740 1.054 0.374) 8.811 4.813 ( -3.546 7.424 -3.519) 8.948 4.984 ( -5.101 8.187 0.149) 9.648 5.124 ( 3.939 -4.282 0.318) 5.827 5.349 ( 2.219 16.796 -0.248) 16.944 5.575 ( -3.876 3.719 3.886) 6.629 5.656 ( 1.974 -6.206 1.335) 6.648 5.927 ( -3.176 1.403 -2.635) 4.359 6.015 ( -1.985 0.744 -3.170) 3.814 6.276 ( -18.274 -2.049 1.671) 18.464 6.461 ( -0.657 0.831 -1.229) 1.623 6.829 ( 2.851 13.045 7.185) 15.163 7.227 ( 6.246 6.880 -0.061) 9.293 7.374 ( -4.965 -1.879 -7.395) 9.103 7.492 ( 8.489 -1.281 -2.482) 8.937 7.695 ( 4.632 -3.169 3.969) 6.873 7.724 ( -6.850 5.805 -0.471) 8.991 7.945 ( 3.961 -5.775 -0.515) 7.022 8.093 ( -0.140 -7.313 4.336) 8.503 8.269 ( -3.015 -2.025 -5.213) 6.353 8.816 ( -0.180 0.582 3.581) 3.633 8.880 ( -0.846 -4.021 -1.239) 4.292 9.167 ( -2.227 -4.849 2.207) 5.775 9.282 ( 1.961 5.300 0.737) 5.699 9.759 ( 8.886 1.290 -4.053) 9.851 9.996 ( -11.015 -7.986 3.362) 14.015 10.329 ( 2.865 3.056 -0.573) 4.228 10.710 ( -5.296 -2.307 -3.327) 6.666 11.532 ( 5.861 4.202 -1.485) 7.363 11.619 ( -0.017 -3.060 -2.213) 3.776 11.755 ( 0.961 -0.290 4.768) 4.872 11.995 ( -2.575 4.185 -0.343) 4.926 12.566 ( 1.862 0.683 2.414) 3.124 12.788 ( 1.826 8.140 0.073) 8.342 12.973 ( 3.428 2.926 2.575) 5.191 13.089 ( -4.090 -1.360 -4.073) 5.930 15.546 ( -1.411 -8.858 -0.480) 8.983 15.820 ( 0.269 -7.574 0.446) 7.592 20.945 ( 0.930 -0.350 0.022) 0.994 21.153 ( -0.431 4.675 -0.717) 4.750 21.261 ( 3.924 0.626 -0.380) 3.992 21.360 ( -3.392 -0.594 -0.072) 3.445 21.391 ( 2.090 4.992 0.193) 5.415 21.655 ( -4.554 3.718 0.893) 5.946 22.175 ( 0.699 -1.621 0.021) 1.766 22.237 ( -0.329 -0.452 0.135) 0.575 24.199 ( 3.362 7.216 0.786) 7.999 24.576 ( -0.682 -1.202 -0.423) 1.445 24.787 ( -2.536 7.342 -1.294) 7.875 25.069 ( -0.080 -2.168 0.887) 2.344 26.468 ( 4.904 -4.866 0.456) 6.924 26.615 ( -3.633 -2.392 -0.567) 4.386 ======================= Grid point 39 (27/117) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( -0.000 1.091 0.000) 1.091 2.029 ( -0.000 0.275 0.000) 0.275 2.183 ( 0.000 -2.743 -0.000) 2.743 2.258 ( -0.000 0.509 0.000) 0.509 2.397 ( -0.000 1.386 0.000) 1.386 2.726 ( -0.000 9.310 0.000) 9.310 3.008 ( 0.000 -6.824 -0.000) 6.824 3.019 ( 0.000 -2.244 -0.000) 2.244 3.072 ( -0.000 4.140 0.000) 4.140 3.196 ( 0.000 -6.371 -0.000) 6.371 3.351 ( -0.000 4.347 0.000) 4.347 3.352 ( -0.000 0.633 0.000) 0.633 3.495 ( -0.000 8.201 0.000) 8.201 3.744 ( -0.000 15.703 0.000) 15.703 3.749 ( -0.000 11.270 0.000) 11.270 3.920 ( -0.000 9.286 0.000) 9.286 4.093 ( -0.000 4.983 0.000) 4.983 4.112 ( 0.000 -0.581 -0.000) 0.581 4.506 ( -0.000 2.199 0.000) 2.199 4.690 ( -0.000 1.464 0.000) 1.464 4.842 ( 0.000 -6.884 -0.000) 6.884 4.863 ( -0.000 16.489 0.000) 16.489 4.916 ( -0.000 9.892 0.000) 9.892 4.984 ( 0.000 -14.953 -0.000) 14.953 5.375 ( 0.000 -15.628 -0.000) 15.628 5.524 ( -0.000 5.138 0.000) 5.138 5.833 ( 0.000 -9.033 -0.000) 9.033 5.842 ( 0.000 -6.541 -0.000) 6.541 6.107 ( -0.000 0.417 0.000) 0.417 6.187 ( 0.000 -1.794 -0.000) 1.794 6.467 ( -0.000 0.161 0.000) 0.161 6.554 ( -0.000 18.344 0.000) 18.344 7.156 ( -0.000 5.918 0.000) 5.918 7.356 ( -0.000 11.193 0.000) 11.193 7.388 ( -0.000 1.305 0.000) 1.305 7.491 ( -0.000 5.384 0.000) 5.384 7.807 ( -0.000 0.335 0.000) 0.335 8.088 ( 0.000 -7.501 -0.000) 7.501 8.220 ( 0.000 -5.804 -0.000) 5.804 8.353 ( 0.000 -5.409 -0.000) 5.409 8.816 ( -0.000 0.315 0.000) 0.315 8.937 ( 0.000 -2.310 -0.000) 2.310 9.226 ( -0.000 1.222 0.000) 1.222 9.313 ( 0.000 -9.756 -0.000) 9.756 9.734 ( -0.000 5.066 0.000) 5.066 9.996 ( 0.000 -1.054 -0.000) 1.054 10.393 ( 0.000 -4.424 -0.000) 4.424 10.749 ( 0.000 -7.035 -0.000) 7.035 11.479 ( -0.000 4.294 0.000) 4.294 11.659 ( 0.000 -0.715 -0.000) 0.715 11.783 ( 0.000 -1.125 -0.000) 1.125 11.886 ( -0.000 4.648 0.000) 4.648 12.620 ( -0.000 10.119 0.000) 10.119 12.627 ( 0.000 -5.188 -0.000) 5.188 12.974 ( -0.000 2.280 0.000) 2.280 13.027 ( -0.000 3.135 0.000) 3.135 15.690 ( 0.000 -7.624 -0.000) 7.624 15.932 ( 0.000 -4.549 -0.000) 4.549 20.936 ( -0.000 2.954 0.000) 2.954 21.106 ( 0.000 -1.200 -0.000) 1.200 21.226 ( -0.000 5.731 0.000) 5.731 21.354 ( 0.000 -1.522 -0.000) 1.522 21.369 ( 0.000 -1.282 -0.000) 1.282 21.566 ( -0.000 4.418 0.000) 4.418 22.196 ( 0.000 -0.288 -0.000) 0.288 22.225 ( -0.000 1.041 0.000) 1.041 24.132 ( -0.000 2.816 0.000) 2.816 24.603 ( 0.000 -2.142 -0.000) 2.142 24.653 ( -0.000 5.249 0.000) 5.249 25.112 ( 0.000 -2.365 -0.000) 2.365 26.585 ( 0.000 -4.160 -0.000) 4.160 26.592 ( -0.000 1.476 0.000) 1.476 ======================= Grid point 46 (28/117) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( -23.352 -0.000 -2.283) 23.464 2.097 ( 8.740 0.000 1.728) 8.909 2.123 ( 2.542 0.000 8.184) 8.570 2.257 ( 9.035 0.000 -0.838) 9.074 2.471 ( 0.490 0.000 -4.948) 4.972 2.488 ( 11.090 0.000 -1.721) 11.223 2.578 ( -6.475 -0.000 2.172) 6.829 2.822 ( 13.870 0.000 7.762) 15.894 2.827 ( -0.766 -0.000 1.660) 1.828 3.154 ( 11.571 0.000 -8.578) 14.404 3.334 ( 1.583 0.000 -1.035) 1.891 3.561 ( -1.820 -0.000 -3.148) 3.636 3.601 ( -7.867 -0.000 -2.629) 8.294 3.747 ( 5.385 0.000 2.930) 6.130 3.930 ( 6.896 0.000 -1.832) 7.135 4.061 ( 15.434 0.000 -16.811) 22.821 4.153 ( 6.095 0.000 -4.698) 7.695 4.258 ( -5.319 -0.000 1.638) 5.565 4.344 ( -0.813 -0.000 -1.618) 1.811 4.586 ( -7.383 -0.000 19.227) 20.595 4.597 ( -3.636 -0.000 3.440) 5.005 4.909 ( 21.224 0.000 -7.709) 22.581 4.940 ( 23.477 0.000 9.315) 25.257 5.336 ( 12.340 0.000 -7.848) 14.624 5.461 ( -16.995 -0.000 8.570) 19.033 5.819 ( 5.008 0.000 0.981) 5.103 6.083 ( 1.329 0.000 -3.605) 3.843 6.190 ( -0.439 -0.000 -1.861) 1.912 6.191 ( -6.342 -0.000 2.879) 6.965 6.446 ( -11.605 -0.000 7.285) 13.702 6.633 ( 5.352 0.000 2.371) 5.854 6.639 ( 1.248 0.000 -0.820) 1.493 7.011 ( -6.386 -0.000 -8.779) 10.856 7.037 ( -5.569 -0.000 2.293) 6.022 7.317 ( -7.681 -0.000 -4.473) 8.888 7.532 ( -1.580 -0.000 12.394) 12.494 7.760 ( -0.159 -0.000 -11.580) 11.581 7.819 ( 4.437 0.000 -3.561) 5.690 8.206 ( -6.233 -0.000 0.162) 6.235 8.364 ( -12.073 -0.000 -1.270) 12.140 8.748 ( -1.498 -0.000 -2.406) 2.834 8.967 ( 1.747 0.000 3.000) 3.472 9.303 ( -0.474 -0.000 8.411) 8.424 9.524 ( -0.576 -0.000 7.747) 7.768 9.577 ( -5.417 -0.000 -8.224) 9.848 9.803 ( 1.249 0.000 -4.387) 4.561 10.382 ( 13.621 0.000 -3.483) 14.059 10.757 ( -0.490 -0.000 1.535) 1.611 11.534 ( 6.254 0.000 9.159) 11.091 11.663 ( 10.738 0.000 -10.760) 15.201 11.818 ( -2.707 -0.000 3.242) 4.223 12.056 ( -7.406 -0.000 -0.125) 7.407 12.609 ( 9.955 0.000 -4.428) 10.896 12.729 ( 9.472 0.000 4.148) 10.340 12.973 ( -10.503 -0.000 10.780) 15.050 13.344 ( -11.207 -0.000 -8.925) 14.326 15.263 ( -0.445 -0.000 -0.729) 0.854 15.433 ( 1.515 0.000 0.649) 1.648 20.932 ( 0.906 0.000 -0.215) 0.932 21.253 ( 2.439 0.000 1.000) 2.636 21.331 ( -0.374 -0.000 -0.202) 0.425 21.409 ( 2.459 0.000 -2.246) 3.330 21.768 ( 3.004 0.000 -1.550) 3.380 21.825 ( 1.266 0.000 2.642) 2.930 21.973 ( -6.065 -0.000 -0.975) 6.143 22.030 ( -4.764 -0.000 0.889) 4.846 24.544 ( -3.598 -0.000 -2.273) 4.255 24.668 ( -2.631 -0.000 4.825) 5.496 25.023 ( -1.939 -0.000 -3.490) 3.993 25.164 ( 2.789 0.000 2.177) 3.539 26.172 ( 5.256 0.000 1.367) 5.430 26.382 ( 4.308 0.000 -2.582) 5.023 ======================= Grid point 47 (29/117) ======================= q-point: ( 0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( -12.819 -15.025 -0.470) 19.756 2.142 ( 1.718 0.197 4.159) 4.504 2.187 ( 6.965 0.304 1.214) 7.076 2.342 ( 2.856 2.958 3.984) 5.725 2.475 ( -0.299 -5.516 -3.596) 6.591 2.515 ( -1.677 -2.502 -3.937) 4.957 2.599 ( 0.323 -0.246 -1.529) 1.582 2.834 ( 0.161 -1.728 -0.681) 1.864 3.149 ( 10.670 -14.991 10.069) 20.975 3.265 ( 13.581 -1.065 -2.062) 13.778 3.367 ( 1.029 -3.071 -2.500) 4.091 3.457 ( -5.198 3.099 -5.142) 7.941 3.572 ( -5.741 -5.156 -3.902) 8.647 3.749 ( 4.152 6.728 1.726) 8.093 3.903 ( 1.726 4.321 -0.755) 4.714 4.111 ( 0.375 3.817 -1.907) 4.283 4.169 ( 2.079 2.866 -4.587) 5.794 4.244 ( 4.661 -4.628 -5.207) 8.382 4.398 ( -10.841 2.649 8.397) 13.966 4.474 ( 7.761 -5.074 -1.718) 9.430 4.712 ( 5.132 -1.603 6.227) 8.227 4.939 ( 1.325 3.179 4.473) 5.645 5.066 ( -1.532 9.408 -1.286) 9.618 5.410 ( 18.208 -5.286 -0.157) 18.960 5.535 ( -0.254 -3.959 1.086) 4.114 5.779 ( 6.723 10.548 0.327) 12.512 5.826 ( 3.850 14.234 -1.782) 14.853 6.063 ( -10.127 8.755 1.380) 13.458 6.156 ( -15.232 2.169 0.412) 15.391 6.296 ( -9.836 2.328 -1.682) 10.247 6.758 ( 5.288 6.638 2.818) 8.943 6.905 ( 2.345 -15.581 -2.856) 16.014 6.950 ( 6.367 -13.555 -0.660) 14.991 7.052 ( -3.278 -7.345 6.142) 10.120 7.275 ( -5.039 -3.596 -6.848) 9.231 7.616 ( 1.324 0.940 6.252) 6.459 7.696 ( -1.582 -1.661 -2.915) 3.709 7.821 ( 2.384 0.451 -4.442) 5.062 8.158 ( -2.726 4.018 1.294) 5.025 8.258 ( -8.206 -2.019 -2.570) 8.833 8.741 ( -1.098 -1.662 -1.198) 2.325 8.939 ( 0.602 4.499 1.561) 4.800 9.266 ( -0.104 5.527 4.465) 7.106 9.555 ( 2.300 -1.406 0.648) 2.772 9.622 ( -3.945 -7.042 7.101) 10.751 9.682 ( 0.320 6.372 -10.842) 12.580 10.593 ( 5.991 -8.178 -1.263) 10.216 10.653 ( 0.435 9.598 1.357) 9.703 11.610 ( 4.106 3.075 -0.713) 5.179 11.703 ( -4.342 0.910 4.564) 6.365 11.715 ( 5.043 3.871 -6.034) 8.765 12.049 ( -1.760 -2.869 3.134) 4.598 12.691 ( 5.029 2.944 -5.854) 8.260 12.838 ( 5.910 -3.357 5.187) 8.550 12.930 ( -3.151 -2.301 8.823) 9.647 13.172 ( -9.002 4.260 -8.177) 12.886 15.289 ( -0.616 -3.773 -0.503) 3.856 15.516 ( 0.665 -7.063 0.423) 7.107 20.935 ( 0.203 0.047 -0.286) 0.353 21.267 ( 2.196 0.656 0.653) 2.383 21.320 ( -0.752 1.244 0.276) 1.480 21.400 ( 0.923 2.878 -1.508) 3.377 21.649 ( 5.814 8.726 0.135) 10.486 21.798 ( -8.483 5.444 0.305) 10.084 22.006 ( 0.768 -7.643 -0.087) 7.682 22.099 ( -1.332 -7.087 0.265) 7.216 24.505 ( -1.640 2.175 -0.331) 2.744 24.582 ( -0.596 6.213 0.850) 6.299 25.004 ( -0.458 -0.413 -0.499) 0.794 25.114 ( 0.604 7.463 0.490) 7.503 26.266 ( 3.343 -5.040 0.675) 6.086 26.459 ( 0.646 -4.790 -1.138) 4.966 ======================= Grid point 48 (30/117) ======================= q-point: ( 0.60 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 0.000 -19.898 -0.000) 19.898 2.162 ( -0.000 0.212 0.000) 0.212 2.230 ( -0.000 7.358 0.000) 7.358 2.237 ( 0.000 -0.752 -0.000) 0.752 2.486 ( -0.000 4.888 0.000) 4.888 2.550 ( 0.000 -3.034 -0.000) 3.034 2.696 ( 0.000 -11.548 -0.000) 11.548 2.882 ( 0.000 -2.803 -0.000) 2.803 3.289 ( -0.000 4.664 0.000) 4.664 3.366 ( -0.000 1.317 0.000) 1.317 3.394 ( -0.000 3.534 0.000) 3.534 3.415 ( -0.000 1.933 0.000) 1.933 3.675 ( 0.000 -8.634 -0.000) 8.634 3.847 ( 0.000 -1.365 -0.000) 1.365 3.877 ( 0.000 -22.609 -0.000) 22.609 4.044 ( -0.000 8.621 0.000) 8.621 4.106 ( -0.000 0.620 0.000) 0.620 4.284 ( -0.000 3.241 0.000) 3.241 4.361 ( -0.000 3.150 0.000) 3.150 4.512 ( -0.000 0.482 0.000) 0.482 4.772 ( -0.000 0.188 0.000) 0.188 4.841 ( -0.000 0.057 0.000) 0.057 5.065 ( 0.000 -5.095 -0.000) 5.095 5.269 ( -0.000 19.691 0.000) 19.691 5.609 ( -0.000 4.446 0.000) 4.446 5.655 ( -0.000 10.068 0.000) 10.068 5.700 ( -0.000 7.032 0.000) 7.032 5.937 ( 0.000 -6.624 -0.000) 6.624 5.985 ( -0.000 4.816 0.000) 4.816 6.181 ( -0.000 4.236 0.000) 4.236 6.544 ( -0.000 10.190 0.000) 10.190 7.019 ( -0.000 4.384 0.000) 4.384 7.251 ( 0.000 -4.942 -0.000) 4.942 7.310 ( 0.000 -17.593 -0.000) 17.593 7.458 ( 0.000 -20.197 -0.000) 20.197 7.461 ( -0.000 9.828 0.000) 9.828 7.835 ( 0.000 -4.707 -0.000) 4.707 7.857 ( 0.000 -4.254 -0.000) 4.254 8.018 ( -0.000 5.393 0.000) 5.393 8.237 ( -0.000 0.611 0.000) 0.611 8.788 ( 0.000 -4.250 -0.000) 4.250 8.862 ( -0.000 3.766 0.000) 3.766 9.163 ( -0.000 4.708 0.000) 4.708 9.435 ( -0.000 10.194 0.000) 10.194 9.749 ( 0.000 -10.546 -0.000) 10.546 9.766 ( 0.000 -7.247 -0.000) 7.247 10.460 ( -0.000 10.482 0.000) 10.482 10.697 ( -0.000 0.150 0.000) 0.150 11.554 ( 0.000 -0.470 -0.000) 0.470 11.655 ( -0.000 4.618 0.000) 4.618 11.739 ( 0.000 -2.182 -0.000) 2.182 12.056 ( -0.000 2.388 0.000) 2.388 12.616 ( -0.000 4.187 0.000) 4.187 12.940 ( -0.000 2.292 0.000) 2.292 12.997 ( 0.000 -1.652 -0.000) 1.652 13.014 ( -0.000 0.480 0.000) 0.480 15.387 ( 0.000 -7.480 -0.000) 7.480 15.670 ( 0.000 -9.017 -0.000) 9.017 20.938 ( 0.000 -0.374 -0.000) 0.374 21.254 ( -0.000 5.417 0.000) 5.417 21.284 ( 0.000 -0.344 -0.000) 0.344 21.345 ( -0.000 1.820 0.000) 1.820 21.538 ( -0.000 8.717 0.000) 8.717 21.675 ( -0.000 2.225 0.000) 2.225 22.120 ( 0.000 -4.819 -0.000) 4.819 22.200 ( 0.000 -3.975 -0.000) 3.975 24.369 ( -0.000 9.712 0.000) 9.712 24.548 ( 0.000 -0.969 -0.000) 0.969 24.938 ( -0.000 9.840 0.000) 9.840 25.033 ( 0.000 -1.483 -0.000) 1.483 26.394 ( 0.000 -6.301 -0.000) 6.301 26.537 ( 0.000 -4.001 -0.000) 4.001 ======================= Grid point 60 (31/117) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( 0.000 0.000 0.000) 0.000 2.138 ( 0.000 0.000 -0.000) 0.000 2.254 ( 0.000 0.000 0.000) 0.000 2.368 ( 0.000 0.000 0.000) 0.000 2.384 ( 0.000 0.000 -0.000) 0.000 2.514 ( 0.000 0.000 0.000) 0.000 2.598 ( 0.000 0.000 0.000) 0.000 2.821 ( 0.000 0.000 -0.000) 0.000 3.048 ( 0.000 0.000 -0.000) 0.000 3.345 ( 0.000 0.000 0.000) 0.000 3.387 ( -0.000 -0.000 -0.000) 0.000 3.426 ( 0.000 0.000 0.000) 0.000 3.450 ( 0.000 0.000 0.000) 0.000 3.838 ( -0.000 -0.000 -0.000) 0.000 3.985 ( 0.000 0.000 0.000) 0.000 4.112 ( 0.000 0.000 -0.000) 0.000 4.225 ( 0.000 0.000 0.000) 0.000 4.244 ( -0.000 -0.000 0.000) 0.000 4.382 ( 0.000 0.000 -0.000) 0.000 4.510 ( 0.000 0.000 0.000) 0.000 4.543 ( 0.000 0.000 0.000) 0.000 5.123 ( 0.000 0.000 0.000) 0.000 5.235 ( 0.000 0.000 -0.000) 0.000 5.322 ( 0.000 0.000 -0.000) 0.000 5.470 ( 0.000 0.000 0.000) 0.000 5.938 ( 0.000 0.000 0.000) 0.000 6.045 ( 0.000 0.000 -0.000) 0.000 6.074 ( 0.000 0.000 0.000) 0.000 6.188 ( 0.000 0.000 0.000) 0.000 6.264 ( 0.000 0.000 0.000) 0.000 6.676 ( 0.000 0.000 0.000) 0.000 6.691 ( 0.000 0.000 0.000) 0.000 6.927 ( 0.000 0.000 0.000) 0.000 7.025 ( 0.000 0.000 0.000) 0.000 7.199 ( -0.000 -0.000 -0.000) 0.000 7.568 ( 0.000 0.000 -0.000) 0.000 7.713 ( 0.000 0.000 0.000) 0.000 7.883 ( 0.000 0.000 -0.000) 0.000 8.142 ( 0.000 0.000 0.000) 0.000 8.202 ( 0.000 0.000 0.000) 0.000 8.720 ( 0.000 0.000 0.000) 0.000 8.994 ( 0.000 0.000 0.000) 0.000 9.336 ( 0.000 0.000 -0.000) 0.000 9.487 ( 0.000 0.000 0.000) 0.000 9.541 ( 0.000 0.000 0.000) 0.000 9.804 ( 0.000 0.000 -0.000) 0.000 10.517 ( 0.000 0.000 0.000) 0.000 10.756 ( 0.000 0.000 0.000) 0.000 11.640 ( 0.000 0.000 0.000) 0.000 11.764 ( -0.000 -0.000 0.000) 0.000 11.780 ( 0.000 0.000 -0.000) 0.000 11.958 ( 0.000 0.000 0.000) 0.000 12.776 ( -0.000 -0.000 0.000) 0.000 12.819 ( 0.000 0.000 -0.000) 0.000 12.902 ( -0.000 -0.000 0.000) 0.000 13.141 ( 0.000 0.000 0.000) 0.000 15.256 ( 0.000 0.000 0.000) 0.000 15.450 ( 0.000 0.000 0.000) 0.000 20.936 ( 0.000 0.000 0.000) 0.000 21.280 ( 0.000 0.000 0.000) 0.000 21.330 ( 0.000 0.000 0.000) 0.000 21.435 ( 0.000 0.000 0.000) 0.000 21.802 ( 0.000 0.000 0.000) 0.000 21.838 ( 0.000 0.000 -0.000) 0.000 21.909 ( -0.000 -0.000 0.000) 0.000 21.977 ( -0.000 -0.000 0.000) 0.000 24.500 ( 0.000 0.000 0.000) 0.000 24.656 ( 0.000 0.000 0.000) 0.000 24.992 ( 0.000 0.000 -0.000) 0.000 25.197 ( 0.000 0.000 0.000) 0.000 26.230 ( 0.000 0.000 0.000) 0.000 26.418 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 109 (32/117) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.511 ( -29.129 -0.000 24.704) 38.194 0.605 ( 6.616 0.000 29.445) 30.179 1.012 ( -6.407 -0.000 49.081) 49.497 1.305 ( 12.312 0.000 -12.838) 17.787 1.597 ( -0.994 -0.000 -18.032) 18.059 2.295 ( 2.940 0.000 -0.839) 3.057 2.304 ( 1.123 0.000 5.837) 5.944 2.432 ( -4.862 -0.000 -0.769) 4.922 2.797 ( -4.453 -0.000 -4.612) 6.411 2.919 ( 10.821 0.000 -8.435) 13.720 3.109 ( 16.288 0.000 -3.286) 16.616 3.141 ( 2.942 0.000 -16.543) 16.802 3.152 ( 5.395 0.000 3.896) 6.655 3.480 ( -8.991 -0.000 -4.236) 9.938 3.715 ( 4.260 0.000 9.688) 10.583 3.747 ( 6.032 0.000 1.690) 6.264 3.829 ( -1.000 -0.000 1.427) 1.743 3.869 ( -1.970 -0.000 -2.766) 3.396 3.994 ( -9.044 -0.000 -8.210) 12.215 4.063 ( -8.852 -0.000 2.712) 9.259 4.652 ( -0.553 -0.000 6.972) 6.993 4.821 ( -3.117 -0.000 -0.604) 3.175 4.877 ( -6.166 -0.000 13.229) 14.595 4.891 ( -5.097 -0.000 8.905) 10.261 5.390 ( 2.930 0.000 -7.278) 7.846 5.598 ( 7.677 0.000 -18.171) 19.726 5.859 ( 0.459 0.000 -0.629) 0.778 5.875 ( 1.469 0.000 -3.123) 3.452 6.459 ( 0.772 0.000 10.887) 10.914 6.502 ( 2.939 0.000 7.902) 8.430 6.984 ( -9.787 -0.000 -7.376) 12.255 7.028 ( 3.731 0.000 -8.669) 9.437 7.257 ( -3.976 -0.000 1.507) 4.252 7.345 ( 4.671 0.000 -2.468) 5.283 7.402 ( 5.783 0.000 9.275) 10.930 7.552 ( 8.308 0.000 3.372) 8.966 7.997 ( 3.414 0.000 2.995) 4.542 8.318 ( -13.292 -0.000 -11.182) 17.370 8.603 ( 1.024 0.000 3.581) 3.725 8.773 ( 2.394 0.000 2.949) 3.799 8.793 ( -6.206 -0.000 -4.269) 7.532 8.857 ( 7.667 0.000 -1.351) 7.785 9.165 ( 0.894 0.000 0.973) 1.321 9.226 ( -18.332 -0.000 -2.871) 18.556 9.536 ( 11.160 0.000 12.323) 16.625 9.830 ( -0.144 -0.000 0.905) 0.917 10.033 ( -0.364 -0.000 -1.492) 1.536 10.137 ( -0.745 -0.000 -7.569) 7.606 11.148 ( -4.474 -0.000 1.594) 4.749 11.256 ( 8.901 0.000 -3.318) 9.499 11.740 ( -10.209 -0.000 6.921) 12.334 11.994 ( 7.062 0.000 -3.898) 8.066 12.867 ( -0.026 -0.000 4.103) 4.103 13.130 ( -0.429 -0.000 -7.001) 7.014 13.860 ( 1.281 0.000 6.096) 6.229 14.071 ( -0.724 -0.000 -2.964) 3.051 15.278 ( 0.402 0.000 0.650) 0.764 15.316 ( -0.457 -0.000 -0.840) 0.956 20.570 ( 1.651 0.000 0.209) 1.664 20.581 ( -12.974 -0.000 -0.196) 12.976 21.417 ( 0.121 0.000 0.034) 0.126 21.419 ( -0.118 -0.000 -0.046) 0.127 21.808 ( 1.854 0.000 1.280) 2.253 21.877 ( -1.042 -0.000 -1.469) 1.801 22.419 ( 0.878 0.000 0.923) 1.274 22.460 ( -0.714 -0.000 -0.698) 0.998 24.179 ( 3.410 0.000 1.523) 3.734 24.264 ( -0.810 -0.000 -1.864) 2.033 24.993 ( -2.281 -0.000 1.944) 2.998 25.083 ( 5.136 0.000 -1.636) 5.390 25.742 ( 0.442 0.000 0.172) 0.475 25.750 ( -0.533 -0.000 -0.133) 0.549 ======================= Grid point 110 (33/117) ======================= q-point: ( 0.10 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( 7.775 -19.701 11.909) 24.298 1.043 ( -1.956 -14.207 27.963) 31.425 1.453 ( 10.774 -33.754 21.941) 41.675 1.569 ( 21.093 -9.440 -7.838) 24.402 1.803 ( 8.070 -19.370 -14.246) 25.363 2.231 ( -2.171 2.624 -1.798) 3.851 2.403 ( 6.854 -4.714 7.435) 11.157 2.462 ( 1.207 -6.092 -1.829) 6.474 2.698 ( 0.166 10.393 -0.505) 10.407 2.768 ( -2.728 -0.417 -5.700) 6.333 3.041 ( -1.086 4.351 2.026) 4.921 3.135 ( -4.144 -2.763 0.820) 5.047 3.208 ( 10.535 3.822 -12.050) 16.456 3.483 ( 4.484 -1.594 -3.756) 6.063 3.637 ( -0.016 9.912 3.454) 10.497 3.766 ( -1.391 4.178 7.132) 8.382 3.806 ( 3.698 2.072 0.810) 4.316 3.872 ( 3.736 1.120 -1.655) 4.237 3.955 ( 2.982 -2.247 -1.397) 3.986 4.122 ( -0.332 -11.244 -6.332) 12.908 4.552 ( -7.858 7.475 13.918) 17.645 4.804 ( -3.492 -1.155 -2.421) 4.403 4.942 ( 0.018 -5.697 3.345) 6.607 4.981 ( -3.425 -8.760 10.104) 13.804 5.440 ( 4.435 -2.238 -8.566) 9.902 5.600 ( 5.038 1.590 -13.474) 14.472 5.788 ( 1.259 2.936 3.444) 4.697 5.947 ( 2.744 -3.266 -3.809) 5.719 6.421 ( 1.466 6.105 8.170) 10.304 6.609 ( 4.299 -2.074 7.704) 9.063 6.844 ( -6.397 9.687 -4.512) 12.454 7.038 ( -11.828 -9.391 -10.799) 18.566 7.194 ( 12.135 18.411 6.314) 22.937 7.258 ( -0.051 0.552 -4.865) 4.896 7.570 ( 1.531 -0.506 0.262) 1.634 7.658 ( 8.383 0.975 -5.374) 10.006 8.024 ( -3.246 3.730 7.218) 8.749 8.108 ( -10.197 3.337 -3.051) 11.154 8.674 ( -1.445 2.885 0.284) 3.239 8.686 ( 1.025 -3.609 6.249) 7.289 8.782 ( 1.748 2.262 -2.935) 4.097 8.821 ( 0.978 1.375 0.502) 1.761 9.167 ( 1.913 -1.783 2.706) 3.763 9.362 ( 4.125 -11.741 -6.745) 14.155 9.692 ( 7.067 -1.192 1.407) 7.304 9.844 ( -0.309 -0.711 -2.215) 2.346 10.100 ( -0.397 -8.635 0.433) 8.655 10.144 ( -7.029 -4.656 -6.201) 10.466 11.144 ( -0.729 -2.056 -0.683) 2.285 11.384 ( 5.691 -4.678 -5.107) 8.964 11.695 ( -2.547 -0.915 3.711) 4.593 12.049 ( 6.673 0.912 -2.648) 7.237 12.856 ( -7.530 2.552 3.852) 8.834 12.951 ( -7.339 10.989 11.256) 17.358 13.302 ( -1.908 16.751 18.572) 25.083 13.839 ( -8.564 22.248 -11.179) 26.330 15.458 ( -1.372 -14.541 0.205) 14.607 15.560 ( -5.876 -16.295 -5.156) 18.073 20.577 ( 1.853 -1.125 0.037) 2.168 20.711 ( 9.488 -6.101 -2.406) 11.534 21.413 ( -1.630 -0.255 0.025) 1.650 21.438 ( 1.268 -0.903 0.013) 1.557 21.578 ( -6.934 11.259 6.396) 14.689 21.821 ( 10.552 6.761 1.554) 12.629 22.390 ( -2.048 3.020 0.593) 3.697 22.414 ( -2.154 3.255 -0.778) 3.980 24.155 ( -2.392 4.957 1.466) 5.696 24.396 ( 15.785 -1.162 -0.705) 15.843 25.098 ( -3.042 -4.419 -0.689) 5.409 25.316 ( -0.028 -3.271 -11.317) 11.780 25.828 ( 2.146 -7.675 0.777) 8.007 25.934 ( 5.244 -21.745 -10.548) 24.731 ======================= Grid point 111 (34/117) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( 14.465 -19.262 2.173) 24.186 1.309 ( -4.531 -14.457 15.874) 21.944 1.869 ( 4.450 -6.014 0.888) 7.534 1.973 ( 4.591 -8.920 3.526) 10.633 2.065 ( 9.021 -5.843 0.567) 10.763 2.333 ( 4.075 -14.529 -17.681) 23.244 2.538 ( -0.271 -1.494 -4.044) 4.319 2.624 ( 7.581 1.962 3.507) 8.580 2.738 ( 0.702 6.808 0.156) 6.846 2.880 ( 10.054 -26.515 13.108) 31.240 3.033 ( 1.023 -7.118 -2.227) 7.528 3.110 ( -1.003 2.778 3.863) 4.862 3.375 ( 13.082 -14.532 -10.757) 22.317 3.480 ( 1.600 5.980 -3.961) 7.349 3.587 ( 6.491 -3.925 -4.005) 8.578 3.709 ( 1.556 3.671 11.801) 12.457 3.829 ( 1.847 -1.810 1.113) 2.815 3.889 ( 2.580 -2.168 -1.413) 3.655 4.003 ( 4.915 2.606 -0.819) 5.623 4.273 ( -2.721 -4.133 -7.391) 8.894 4.464 ( -1.210 -4.077 10.680) 11.495 4.782 ( -3.425 -2.479 -2.637) 4.982 5.037 ( 1.792 -1.914 0.506) 2.670 5.079 ( -0.192 0.112 3.319) 3.326 5.496 ( 2.273 -5.274 -5.133) 7.703 5.602 ( 1.737 0.040 -5.023) 5.315 5.855 ( 4.183 -4.559 4.293) 7.530 6.006 ( 2.316 -0.545 -1.227) 2.677 6.313 ( 6.536 8.693 -2.853) 11.244 6.569 ( 1.160 12.355 0.517) 12.420 6.681 ( -4.314 3.581 11.143) 12.474 6.923 ( 2.817 13.532 5.860) 15.013 7.059 ( 2.117 7.909 -3.117) 8.760 7.151 ( -4.970 4.966 -11.994) 13.900 7.518 ( -4.162 2.506 -3.079) 5.752 7.619 ( -5.078 0.190 -5.428) 7.435 7.861 ( -8.723 5.278 8.357) 13.183 8.050 ( 3.943 1.843 5.389) 6.927 8.586 ( -7.853 2.265 -3.645) 8.949 8.707 ( -2.718 1.087 -0.502) 2.970 8.767 ( 2.662 0.926 -1.152) 3.045 8.874 ( 3.026 -2.013 5.217) 6.358 9.230 ( 2.634 -2.835 -3.114) 4.967 9.593 ( -2.131 -2.430 -8.229) 8.841 9.703 ( 6.042 -0.991 9.579) 11.368 9.924 ( 5.848 -5.348 -1.415) 8.050 10.097 ( -9.994 -2.731 -1.494) 10.468 10.372 ( 4.342 -18.552 1.515) 19.114 11.180 ( -0.471 -2.725 -1.782) 3.290 11.480 ( 1.015 -3.891 -3.511) 5.338 11.728 ( 5.766 0.043 -0.138) 5.768 12.075 ( 2.138 0.407 -2.223) 3.111 12.596 ( -12.377 9.752 7.943) 17.645 12.906 ( 3.244 4.042 10.949) 12.113 13.160 ( -0.958 4.637 2.363) 5.292 13.323 ( -5.617 20.253 -10.907) 23.679 15.650 ( -3.954 -9.807 -1.952) 10.752 15.739 ( -4.185 -11.012 0.420) 11.788 20.631 ( 2.765 -2.191 -0.070) 3.528 20.894 ( 8.490 -4.431 1.160) 9.646 21.374 ( -4.955 2.900 -0.177) 5.744 21.405 ( -1.818 1.884 -0.934) 2.780 21.478 ( 0.259 -0.713 0.592) 0.962 21.803 ( 13.677 9.483 2.358) 16.809 22.280 ( -3.919 4.434 -0.846) 5.978 22.326 ( -2.447 3.558 0.173) 4.322 24.062 ( -4.571 2.266 2.009) 5.483 24.508 ( 8.416 1.415 -2.538) 8.904 25.104 ( -3.966 -0.875 -1.285) 4.260 25.227 ( -1.851 5.973 1.069) 6.344 26.037 ( 1.488 -11.723 1.774) 11.949 26.324 ( 7.650 -15.405 -9.096) 19.457 ======================= Grid point 112 (35/117) ======================= q-point: ( 0.30 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( 0.654 -5.040 1.782) 5.386 1.711 ( 5.929 -21.103 -1.778) 21.992 1.965 ( 0.880 -4.680 4.139) 6.309 2.056 ( 1.064 -0.414 6.542) 6.640 2.308 ( 5.552 -8.663 -2.761) 10.654 2.491 ( -1.166 4.938 1.388) 5.260 2.581 ( 6.434 -5.332 -5.143) 9.812 2.619 ( -1.970 -2.302 -1.657) 3.453 2.691 ( 4.912 -1.088 -2.373) 5.563 3.040 ( -2.409 -1.324 -2.211) 3.528 3.082 ( 7.390 1.772 -2.556) 8.017 3.336 ( -1.155 4.914 -1.713) 5.331 3.488 ( 10.734 -10.489 12.238) 19.365 3.608 ( 1.243 1.141 1.529) 2.278 3.723 ( -0.403 -6.884 -3.425) 7.700 3.760 ( 6.651 -1.022 -3.812) 7.734 3.870 ( 3.303 3.324 0.040) 4.686 4.040 ( 9.630 -4.926 5.432) 12.104 4.230 ( 8.277 -27.459 -0.189) 28.680 4.351 ( -0.050 -11.371 2.341) 11.610 4.570 ( 1.289 -3.650 -6.762) 7.792 4.812 ( -1.621 -2.702 0.150) 3.155 4.993 ( 2.996 5.033 -0.299) 5.865 5.118 ( -0.712 -4.182 1.880) 4.640 5.545 ( -5.475 6.360 0.553) 8.410 5.630 ( -0.643 -1.135 -2.780) 3.071 5.807 ( -3.333 -0.490 2.569) 4.236 6.189 ( 13.685 -8.098 2.425) 16.085 6.265 ( -7.609 16.686 0.109) 18.339 6.345 ( 13.972 1.458 -4.634) 14.792 6.539 ( 1.043 9.556 -5.762) 11.207 6.722 ( 11.285 17.612 12.909) 24.580 6.932 ( -2.969 1.480 1.855) 3.801 7.034 ( -3.727 0.652 -8.421) 9.232 7.436 ( -2.728 1.541 -2.060) 3.749 7.582 ( -7.928 -3.789 -1.568) 8.926 7.733 ( -6.328 1.621 5.575) 8.588 8.122 ( 5.619 -0.744 3.974) 6.922 8.422 ( -8.244 5.493 -1.690) 10.049 8.561 ( -7.185 8.053 1.491) 10.895 8.814 ( 2.771 -1.988 -5.062) 6.104 8.907 ( -1.080 0.227 -1.646) 1.982 9.319 ( 6.813 -1.498 -1.680) 7.176 9.427 ( -11.434 4.357 -0.164) 12.237 9.843 ( 7.904 0.216 2.795) 8.387 9.988 ( -16.222 -6.248 4.829) 18.042 10.166 ( 12.141 -4.313 -1.372) 12.957 10.784 ( 6.538 -17.753 -0.100) 18.919 11.227 ( -2.005 -4.405 1.420) 5.044 11.542 ( 0.052 -3.714 -1.624) 4.054 11.801 ( 12.178 1.841 -2.394) 12.547 12.058 ( -6.150 -1.620 -3.360) 7.193 12.335 ( -8.349 7.938 1.902) 11.676 12.824 ( 3.405 12.421 5.999) 14.208 12.945 ( -5.398 10.830 -3.681) 12.648 13.167 ( 1.619 -1.718 0.060) 2.362 15.738 ( -3.860 -5.536 -2.912) 7.350 15.876 ( -2.174 -7.281 2.441) 7.981 20.703 ( 2.802 -2.558 -0.339) 3.810 21.048 ( 6.216 -3.714 3.598) 8.086 21.267 ( -4.326 2.071 -4.655) 6.684 21.359 ( -2.878 1.048 -0.151) 3.066 21.491 ( -0.003 -0.207 0.213) 0.297 21.764 ( 11.619 9.727 3.054) 15.458 22.181 ( -2.095 2.816 -0.453) 3.539 22.255 ( -2.033 1.500 -0.007) 2.526 23.982 ( -4.140 2.464 2.190) 5.292 24.522 ( 4.167 2.245 -4.558) 6.571 25.067 ( -2.565 1.652 -4.917) 5.787 25.118 ( -1.834 3.421 6.663) 7.710 26.244 ( 0.024 -9.548 0.801) 9.581 26.583 ( 5.939 -7.776 -2.705) 10.152 ======================= Grid point 113 (36/117) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( 0.157 2.240 1.217) 2.554 2.018 ( -0.317 -8.793 -1.908) 9.003 2.075 ( -2.051 -2.629 4.045) 5.243 2.142 ( 7.392 -8.217 -5.304) 12.259 2.373 ( -4.398 1.254 1.159) 4.718 2.451 ( 0.234 -1.116 -0.828) 1.410 2.555 ( 2.964 5.681 1.915) 6.688 2.678 ( 1.881 -2.144 2.439) 3.753 2.825 ( -2.175 -6.833 -1.293) 7.286 3.015 ( 4.494 2.788 -1.218) 5.427 3.185 ( 8.717 -2.856 -4.729) 10.320 3.297 ( -3.270 -2.487 1.327) 4.317 3.514 ( 2.075 5.448 0.301) 5.838 3.597 ( -3.719 4.141 -0.811) 5.624 3.782 ( 9.288 -3.990 -2.319) 10.371 3.865 ( 0.310 -3.139 0.989) 3.306 4.032 ( 12.535 -12.226 4.677) 18.123 4.172 ( -0.446 0.037 6.055) 6.071 4.484 ( -1.128 -3.371 -4.513) 5.745 4.626 ( 4.317 0.214 -1.445) 4.558 4.773 ( 1.751 -5.998 -2.573) 6.758 4.843 ( -1.803 -11.721 1.351) 11.936 4.980 ( 0.889 -4.145 1.865) 4.631 5.140 ( -2.971 12.049 1.029) 12.453 5.269 ( -9.329 -4.651 6.707) 12.395 5.567 ( -0.765 6.226 -8.037) 10.196 5.899 ( -6.567 9.881 -4.152) 12.570 5.973 ( 2.413 -9.366 2.017) 9.880 6.308 ( 2.337 4.416 -1.448) 5.202 6.368 ( 3.641 9.146 2.645) 10.194 6.529 ( 19.377 -0.390 -1.779) 19.463 6.730 ( 12.728 -1.436 5.140) 13.802 6.860 ( -5.324 1.981 -2.668) 6.276 7.086 ( 10.096 -2.781 3.564) 11.062 7.367 ( -11.056 -1.231 -1.985) 11.300 7.596 ( -5.725 -5.394 -4.419) 9.022 7.715 ( -0.039 -2.412 6.688) 7.110 8.092 ( -4.160 6.310 -2.524) 7.968 8.268 ( -4.637 7.242 2.022) 8.834 8.381 ( -4.596 0.723 5.723) 7.375 8.812 ( 0.035 2.640 -7.574) 8.021 8.864 ( 0.105 1.696 -8.450) 8.619 9.222 ( -4.125 5.899 3.974) 8.222 9.443 ( 2.809 -3.420 1.041) 4.546 9.862 ( -2.141 -0.271 -1.574) 2.672 9.982 ( -5.875 -2.997 8.779) 10.980 10.325 ( 7.990 -1.005 -0.267) 8.058 11.077 ( 4.927 -10.602 -6.243) 13.254 11.296 ( -5.335 -4.884 4.779) 8.669 11.625 ( 3.225 -3.384 0.720) 4.730 11.834 ( 5.676 5.188 -1.157) 7.776 12.057 ( -2.677 -6.719 -6.808) 9.933 12.169 ( -4.610 4.680 1.872) 6.831 12.612 ( -0.343 10.642 -2.548) 10.949 12.766 ( -0.929 6.649 4.179) 7.908 13.229 ( 1.213 -2.262 1.248) 2.854 15.767 ( -2.186 -2.359 -3.433) 4.703 15.967 ( -0.976 -3.705 3.193) 4.987 20.767 ( 2.137 -1.742 -0.917) 2.906 21.114 ( 0.358 1.845 -4.544) 4.917 21.251 ( 0.364 -4.431 4.444) 6.286 21.315 ( -2.607 0.486 0.566) 2.712 21.486 ( -0.476 0.508 0.274) 0.748 21.708 ( 6.433 7.210 1.244) 9.743 22.134 ( -0.294 1.125 0.335) 1.211 22.229 ( -0.830 0.121 -0.238) 0.871 23.911 ( -2.354 2.077 2.192) 3.829 24.511 ( 2.926 0.994 -4.664) 5.594 24.959 ( -4.544 3.388 -4.659) 7.337 25.117 ( 0.998 -0.039 5.790) 5.876 26.375 ( -0.245 -4.993 -0.239) 5.005 26.717 ( 2.846 -3.115 0.155) 4.223 ======================= Grid point 114 (37/117) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( 1.564 -1.378 3.626) 4.183 2.015 ( 1.303 5.589 -1.620) 5.963 2.160 ( -2.513 -4.167 -2.277) 5.373 2.193 ( 2.513 3.977 -4.400) 6.441 2.416 ( -4.419 -9.325 -0.631) 10.338 2.433 ( -0.023 -0.043 -2.670) 2.671 2.539 ( 1.985 -1.256 1.086) 2.588 2.723 ( 3.585 3.669 2.178) 5.573 2.856 ( -5.177 -1.607 3.946) 6.705 3.032 ( 5.191 1.140 -0.530) 5.341 3.186 ( -7.380 4.323 1.233) 8.641 3.268 ( -0.045 6.809 4.046) 7.921 3.529 ( 3.519 -0.462 -2.403) 4.286 3.567 ( 3.592 -7.985 -3.618) 9.474 3.852 ( 0.629 -0.201 -1.361) 1.513 4.021 ( 3.934 -5.589 -1.151) 6.930 4.104 ( -5.863 3.769 -0.973) 7.037 4.319 ( -5.962 10.321 2.733) 12.229 4.431 ( 7.490 -13.180 6.364) 16.441 4.571 ( -0.172 2.942 -2.370) 3.781 4.724 ( -7.313 0.292 4.627) 8.659 4.857 ( -0.585 1.742 0.341) 1.869 5.093 ( -0.467 -3.036 -0.767) 3.166 5.132 ( 4.478 -3.923 -0.447) 5.970 5.269 ( -5.509 16.794 -6.129) 18.707 5.453 ( 3.341 -11.813 0.389) 12.283 5.823 ( -1.697 -2.515 -1.238) 3.277 6.060 ( 2.554 3.413 -4.058) 5.886 6.214 ( 3.085 10.286 6.770) 12.694 6.312 ( -1.149 -3.949 -1.595) 4.411 6.689 ( 2.903 -2.373 -2.105) 4.300 6.785 ( -1.200 1.273 1.846) 2.543 6.913 ( 3.030 -5.847 3.741) 7.574 7.155 ( -3.087 0.650 1.254) 3.395 7.366 ( 6.230 -2.561 1.623) 6.929 7.505 ( -9.275 2.535 -8.767) 13.013 7.880 ( -4.072 2.751 1.017) 5.018 7.920 ( 1.772 -3.758 5.791) 7.128 8.152 ( 2.355 -0.292 0.417) 2.409 8.414 ( -2.202 -3.373 8.193) 9.130 8.737 ( 2.615 3.155 -11.856) 12.544 8.786 ( 1.242 4.364 -7.978) 9.178 9.169 ( 1.018 -0.157 4.968) 5.073 9.514 ( 1.501 -1.903 0.422) 2.461 9.847 ( 1.803 0.811 -2.465) 3.160 9.986 ( -5.077 -0.240 9.998) 11.216 10.357 ( 1.440 1.846 -1.268) 2.663 11.258 ( -2.089 -3.527 -7.950) 8.944 11.305 ( -1.854 -4.014 6.497) 7.859 11.657 ( 3.284 3.503 -2.889) 5.604 11.784 ( -2.119 1.106 3.511) 4.248 12.026 ( -3.026 3.105 -4.741) 6.424 12.217 ( 4.128 -7.020 -3.016) 8.684 12.448 ( 1.681 8.280 0.680) 8.476 12.733 ( 0.299 -3.008 2.834) 4.143 13.259 ( -1.476 -0.625 1.607) 2.270 15.768 ( 0.187 0.103 -3.392) 3.399 16.005 ( -0.067 -0.132 3.170) 3.174 20.796 ( 1.010 -0.031 -1.460) 1.775 21.046 ( -2.173 2.169 -4.123) 5.140 21.291 ( 0.116 0.053 0.088) 0.155 21.384 ( 0.807 -5.332 8.007) 9.654 21.469 ( -0.230 0.599 -0.155) 0.660 21.645 ( -0.180 2.849 -1.638) 3.292 22.131 ( 0.608 -0.247 0.801) 1.035 22.224 ( -0.114 -0.064 -0.328) 0.354 23.884 ( 0.289 0.377 2.192) 2.243 24.534 ( 3.214 -1.818 -4.711) 5.986 24.848 ( -5.143 2.228 -3.296) 6.502 25.148 ( 1.560 -0.372 4.230) 4.524 26.414 ( -0.038 0.387 -0.576) 0.695 26.767 ( 0.303 -0.865 0.848) 1.249 ======================= Grid point 115 (38/117) ======================= q-point: (-0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( 3.682 -6.739 2.413) 8.049 1.898 ( 2.563 8.057 -1.545) 8.595 2.030 ( -1.046 8.793 0.171) 8.857 2.257 ( -5.499 -5.402 -4.581) 8.966 2.392 ( 2.272 5.731 1.311) 6.303 2.542 ( -2.010 5.790 -1.048) 6.218 2.574 ( -0.984 2.218 2.368) 3.391 2.588 ( -0.949 -2.971 2.539) 4.022 2.848 ( -5.034 -0.585 1.921) 5.420 2.920 ( -7.476 7.258 -1.390) 10.512 3.110 ( -0.229 0.751 -5.495) 5.551 3.195 ( 2.688 -2.143 -0.444) 3.466 3.559 ( 0.532 -0.404 0.774) 1.022 3.667 ( -0.008 3.279 0.353) 3.297 3.829 ( -4.861 -0.395 -2.897) 5.673 3.914 ( -6.345 6.528 1.453) 9.219 4.075 ( -3.017 -1.300 1.446) 3.590 4.173 ( -9.328 2.268 8.815) 13.033 4.525 ( 3.513 -5.101 -2.420) 6.650 4.555 ( -2.524 6.163 -4.215) 7.882 4.708 ( -0.930 13.147 -0.866) 13.208 4.843 ( -6.022 14.305 -1.069) 15.558 4.983 ( 2.415 -10.734 3.206) 11.460 5.124 ( -2.859 -0.063 -0.171) 2.865 5.241 ( 8.978 -7.885 5.774) 13.271 5.686 ( 10.275 -4.041 -8.970) 14.225 5.852 ( 1.339 0.587 1.983) 2.463 5.979 ( -3.131 1.416 -1.972) 3.962 6.107 ( 0.431 1.160 -0.183) 1.251 6.362 ( -2.210 -0.500 2.168) 3.136 6.597 ( -16.783 2.785 -2.507) 17.197 6.746 ( -14.008 -3.033 3.642) 14.788 6.979 ( 1.329 -4.410 2.547) 5.264 7.268 ( 2.925 -9.078 2.310) 9.814 7.345 ( -2.908 1.442 -6.216) 7.013 7.463 ( 12.698 5.304 1.312) 13.823 7.765 ( -6.711 -1.390 2.431) 7.271 8.002 ( 2.229 0.193 -0.774) 2.367 8.339 ( 7.761 -8.152 4.523) 12.131 8.482 ( -1.174 -3.968 7.486) 8.553 8.688 ( 3.293 3.447 -10.595) 11.618 8.739 ( 5.413 1.104 -8.084) 9.791 9.252 ( 4.805 -4.157 1.897) 6.631 9.546 ( -1.298 -1.440 -0.894) 2.135 9.853 ( 14.650 7.897 1.308) 16.694 9.944 ( -10.146 -1.781 7.082) 12.501 10.301 ( -5.100 1.988 -0.345) 5.484 11.094 ( -6.368 10.523 -6.104) 13.731 11.369 ( -5.986 -1.275 9.296) 11.130 11.657 ( 9.586 2.185 -7.296) 12.243 11.807 ( -3.619 -6.579 3.597) 8.325 11.913 ( -2.510 5.734 -5.702) 8.467 12.294 ( -3.220 0.493 -0.274) 3.269 12.442 ( 10.630 -2.918 -0.232) 11.025 12.878 ( 1.798 -10.301 1.843) 10.618 13.232 ( -4.072 0.632 1.248) 4.305 15.750 ( 2.507 2.430 -2.910) 4.545 15.987 ( 0.860 3.527 2.671) 4.507 20.779 ( -0.479 1.811 -1.125) 2.185 20.988 ( -2.339 0.685 -1.064) 2.659 21.307 ( 1.663 -0.718 0.117) 1.815 21.409 ( -0.176 3.101 0.674) 3.178 21.500 ( 1.001 -0.426 1.031) 1.499 21.640 ( -6.907 -8.050 1.466) 10.708 22.155 ( 0.813 -1.351 0.309) 1.607 22.227 ( 0.832 -0.116 -0.252) 0.877 23.914 ( 2.873 -1.127 2.247) 3.818 24.613 ( 3.310 -4.638 -8.259) 10.034 24.767 ( -4.715 0.431 2.065) 5.165 25.179 ( 1.487 -0.244 2.616) 3.019 26.357 ( -0.220 5.656 -0.196) 5.664 26.761 ( -1.672 1.114 0.109) 2.012 ======================= Grid point 116 (39/117) ======================= q-point: (-0.30 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( -3.695 9.791 8.222) 13.309 1.762 ( 6.104 9.449 -4.501) 12.116 1.820 ( 3.291 6.782 -1.514) 7.689 2.079 ( -19.797 10.873 8.347) 24.079 2.251 ( -0.283 8.720 -1.174) 8.803 2.454 ( -7.049 -2.652 0.278) 7.536 2.499 ( -1.829 4.579 -2.120) 5.367 2.609 ( 1.110 2.849 -5.518) 6.309 2.791 ( 3.148 -4.185 -2.738) 5.910 2.884 ( -4.513 -2.586 -2.632) 5.829 3.099 ( -3.131 1.595 -2.705) 4.435 3.277 ( -1.988 0.825 6.329) 6.685 3.426 ( -7.064 5.112 1.335) 8.822 3.586 ( -1.812 -2.577 -0.081) 3.151 3.782 ( -5.382 5.263 5.192) 9.145 3.867 ( 4.349 3.479 -2.613) 6.152 3.979 ( -10.388 6.390 2.718) 12.495 4.040 ( -10.349 12.100 -7.151) 17.454 4.128 ( -8.426 11.585 2.665) 14.571 4.432 ( -0.322 7.152 6.410) 9.610 4.630 ( -3.103 6.229 -4.879) 8.499 4.736 ( 1.532 -5.914 -1.932) 6.407 4.985 ( 0.920 6.375 -2.336) 6.852 5.121 ( -1.713 0.627 2.390) 3.007 5.615 ( 7.549 -9.214 -1.493) 12.005 5.711 ( 1.133 3.959 -1.193) 4.287 5.874 ( 2.728 -6.831 9.027) 11.644 6.000 ( 6.612 -1.883 -2.942) 7.478 6.181 ( -8.624 -1.935 -1.055) 8.901 6.297 ( -1.592 -7.142 -0.599) 7.342 6.333 ( -15.192 3.859 -4.443) 16.292 6.759 ( -11.019 -11.032 5.972) 16.697 7.141 ( 2.717 -7.854 1.900) 8.525 7.296 ( 0.290 -0.807 -7.013) 7.066 7.420 ( 3.746 0.371 1.953) 4.241 7.573 ( 10.688 -5.522 -4.843) 12.968 7.796 ( -1.248 -6.149 3.382) 7.128 8.000 ( -0.072 0.693 6.158) 6.197 8.517 ( 4.269 -3.350 2.064) 5.805 8.580 ( 2.107 -3.546 3.470) 5.390 8.635 ( 3.150 1.186 -7.517) 8.236 8.773 ( 4.219 0.320 -3.170) 5.287 9.387 ( 4.708 -3.510 -2.708) 6.467 9.516 ( -2.686 1.203 -2.108) 3.620 9.809 ( 1.712 8.662 7.957) 11.886 9.955 ( 8.503 0.324 0.443) 8.521 10.169 ( -9.822 4.242 -1.014) 10.747 10.812 ( -6.373 10.797 0.864) 12.567 11.335 ( -6.189 -0.049 6.166) 8.737 11.632 ( 2.936 7.665 -11.730) 14.316 11.787 ( 2.859 3.628 1.602) 4.889 11.918 ( -3.318 -6.960 -3.304) 8.389 12.267 ( -3.759 -1.970 4.226) 5.989 12.634 ( 11.515 -4.712 1.209) 12.500 13.123 ( 4.381 -11.172 0.447) 12.009 13.185 ( -6.114 -3.453 -0.451) 7.036 15.715 ( 4.768 4.761 -2.200) 7.088 15.904 ( 1.490 7.912 1.721) 8.233 20.720 ( -1.936 2.919 -0.481) 3.535 20.978 ( -2.332 -1.915 2.489) 3.911 21.318 ( -1.747 2.310 -2.786) 4.019 21.356 ( 2.043 0.239 -0.704) 2.174 21.491 ( -0.800 0.552 -0.219) 0.997 21.749 ( -10.059 -10.652 3.423) 15.046 22.203 ( 1.809 -2.755 -0.450) 3.327 22.253 ( 2.555 -1.264 -0.011) 2.850 23.980 ( 4.431 -1.008 2.182) 5.042 24.641 ( -5.110 -1.504 -8.506) 10.036 24.827 ( 4.649 -6.390 4.217) 8.957 25.201 ( 1.015 -0.366 1.476) 1.829 26.210 ( -1.089 9.795 0.454) 9.865 26.681 ( -3.590 5.023 -2.386) 6.619 ======================= Grid point 117 (40/117) ======================= q-point: (-0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( 0.208 26.721 17.154) 31.754 1.547 ( -16.808 20.395 8.212) 27.675 1.685 ( -6.950 7.644 -6.524) 12.219 1.845 ( -1.738 2.929 -0.377) 3.427 2.094 ( -3.064 3.557 1.593) 4.958 2.348 ( -1.087 5.571 -7.262) 9.217 2.433 ( -10.389 18.995 -1.329) 21.691 2.516 ( -0.846 0.540 -2.832) 3.004 2.701 ( -9.897 5.373 -1.794) 11.403 2.872 ( -3.602 0.835 -1.110) 3.861 3.006 ( 1.551 -1.738 2.224) 3.221 3.137 ( -4.843 8.747 9.023) 13.467 3.429 ( -1.076 8.955 4.315) 9.998 3.505 ( -5.143 -3.004 -5.702) 8.246 3.565 ( -3.656 8.513 -5.114) 10.582 3.745 ( 4.472 -3.766 -6.065) 8.424 3.802 ( -3.900 1.256 3.020) 5.090 3.946 ( -6.262 2.678 -1.146) 6.906 3.947 ( -5.610 1.205 3.128) 6.535 4.445 ( -6.389 7.465 2.516) 10.142 4.477 ( -2.590 -6.505 1.982) 7.277 4.823 ( 2.024 -2.231 -1.141) 3.222 4.921 ( 4.250 3.479 1.301) 5.644 5.081 ( -0.457 1.718 1.974) 2.657 5.589 ( -1.585 5.564 -5.711) 8.129 5.622 ( -0.708 5.135 -6.439) 8.267 5.827 ( -6.905 5.223 5.972) 10.518 6.080 ( -4.609 4.772 -2.876) 7.231 6.194 ( 4.485 -5.660 1.793) 7.441 6.403 ( -3.422 -14.143 -0.126) 14.552 6.583 ( 7.696 -18.927 5.364) 21.125 6.892 ( -11.228 -14.267 5.001) 18.832 7.266 ( 2.009 -3.427 -0.621) 4.021 7.314 ( 6.819 0.372 -8.236) 10.699 7.439 ( 1.299 0.134 -0.475) 1.390 7.643 ( -0.309 1.609 -9.715) 9.852 7.969 ( 0.438 -6.343 4.173) 7.605 8.103 ( 3.324 -9.950 9.956) 14.463 8.555 ( 4.353 0.894 -3.721) 5.796 8.637 ( 4.596 -0.035 -0.463) 4.620 8.719 ( 4.089 -4.633 0.540) 6.203 8.776 ( -0.751 0.693 2.886) 3.062 9.291 ( -6.506 9.577 -2.957) 11.950 9.586 ( 7.062 -3.799 -6.591) 10.380 9.633 ( -7.327 8.022 8.450) 13.764 9.986 ( -0.732 5.651 -1.459) 5.882 10.052 ( 6.536 0.963 -2.265) 6.984 10.593 ( -9.786 6.948 2.730) 12.308 11.269 ( -3.946 3.599 1.973) 5.693 11.445 ( 0.080 7.120 -16.964) 18.398 11.819 ( 4.454 0.986 8.416) 9.573 11.948 ( -4.844 -2.806 -5.087) 7.564 12.355 ( 0.998 -8.449 15.308) 17.513 12.808 ( 8.858 -1.476 3.889) 9.786 13.146 ( -0.782 -0.833 -0.919) 1.466 13.483 ( 3.060 -21.504 -4.208) 22.124 15.662 ( 7.869 7.744 -2.541) 11.329 15.734 ( 1.091 12.919 0.926) 12.998 20.646 ( -2.127 2.743 -0.187) 3.476 20.997 ( -8.576 -3.621 1.335) 9.405 21.259 ( 0.774 -0.252 -0.480) 0.945 21.388 ( 2.763 -0.261 -0.024) 2.775 21.471 ( -1.106 0.761 0.189) 1.356 21.809 ( -12.757 -8.052 2.167) 15.241 22.286 ( 3.078 -3.691 -0.980) 4.905 22.328 ( 3.379 -3.407 0.313) 4.809 24.042 ( 4.430 -0.465 1.841) 4.820 24.570 ( -9.695 -0.656 -2.524) 10.039 25.022 ( 8.720 -4.495 -0.854) 9.848 25.242 ( 0.814 -4.577 0.790) 4.715 26.002 ( -2.095 11.176 0.665) 11.390 26.471 ( -5.334 12.855 -8.772) 16.451 ======================= Grid point 118 (41/117) ======================= q-point: (-0.10 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( -9.549 21.479 21.251) 31.688 1.017 ( -9.720 24.923 23.844) 35.835 1.364 ( -18.252 29.322 10.419) 36.076 1.436 ( -14.912 12.095 -4.159) 19.646 1.862 ( -6.269 16.118 -11.366) 20.694 2.182 ( 4.864 -4.002 0.943) 6.369 2.311 ( 2.609 0.783 9.901) 10.269 2.499 ( -0.899 -1.952 0.336) 2.175 2.574 ( -0.189 1.852 -6.409) 6.674 2.799 ( 0.992 -0.292 -2.027) 2.276 3.042 ( -0.171 0.873 1.128) 1.437 3.085 ( 5.912 -1.456 -3.153) 6.856 3.241 ( -3.739 5.081 -4.303) 7.637 3.509 ( -1.329 -3.232 -1.479) 3.795 3.600 ( 0.221 -5.155 0.491) 5.183 3.741 ( 0.442 3.981 2.523) 4.733 3.835 ( -4.502 -1.049 1.594) 4.889 3.885 ( -4.671 -4.961 -1.827) 7.055 3.948 ( -1.205 -5.644 -3.046) 6.525 4.228 ( -7.675 6.681 -0.916) 10.216 4.590 ( -1.051 -5.186 6.412) 8.313 4.846 ( -0.682 0.282 1.562) 1.727 4.907 ( 0.510 2.554 8.637) 9.021 5.018 ( -3.735 6.559 7.967) 10.975 5.444 ( -0.536 4.410 -9.519) 10.504 5.563 ( 5.583 0.439 -14.207) 15.271 5.789 ( -2.577 -3.537 2.931) 5.267 5.952 ( -1.350 4.614 -4.451) 6.552 6.334 ( 2.810 -4.901 7.757) 9.596 6.500 ( 1.454 1.001 5.173) 5.466 6.906 ( -5.726 -13.374 -1.614) 14.637 7.118 ( -3.028 -15.415 4.782) 16.422 7.268 ( 3.176 6.922 -11.524) 13.813 7.364 ( 1.033 0.144 -4.545) 4.663 7.439 ( 4.036 2.621 3.875) 6.178 7.530 ( -5.775 2.536 -6.051) 8.740 8.004 ( -0.496 1.749 1.807) 2.563 8.351 ( -0.773 -10.716 0.192) 10.746 8.556 ( 4.258 1.721 0.002) 4.592 8.673 ( 1.164 -1.706 3.422) 3.997 8.755 ( -0.730 0.706 5.766) 5.854 8.904 ( 1.161 -5.586 -5.398) 7.854 9.032 ( -0.026 6.216 2.332) 6.639 9.493 ( -0.410 4.572 9.920) 10.931 9.642 ( -8.251 -0.612 -15.160) 17.271 9.889 ( -2.950 3.179 -2.950) 5.245 10.057 ( 5.328 5.009 -2.557) 7.747 10.317 ( -8.541 11.684 -7.715) 16.401 11.175 ( -1.213 2.196 0.625) 2.586 11.307 ( 1.856 6.503 -9.637) 11.773 11.823 ( -9.273 -0.747 8.145) 12.365 11.945 ( 3.831 -0.128 -4.863) 6.192 12.770 ( 13.105 -20.618 21.958) 32.848 12.893 ( 4.876 -5.185 12.922) 14.753 13.198 ( 2.182 -5.932 5.366) 8.291 13.920 ( 6.575 -21.150 -7.949) 23.532 15.464 ( 1.524 17.041 -0.115) 17.109 15.568 ( 8.679 13.482 -5.664) 17.005 20.587 ( -1.004 1.791 -0.038) 2.054 20.864 ( -21.006 0.924 -10.173) 23.358 21.407 ( 1.092 -2.198 1.634) 2.949 21.432 ( 3.187 -1.451 2.398) 4.245 21.461 ( 6.430 -8.620 10.283) 14.879 21.818 ( -10.572 -6.191 1.523) 12.345 22.373 ( 2.844 -2.376 -0.292) 3.717 22.422 ( 2.090 -3.308 0.090) 3.915 24.110 ( 1.617 -3.872 1.508) 4.459 24.446 ( -16.310 0.446 -0.510) 16.324 25.083 ( 4.555 3.029 -0.975) 5.557 25.373 ( 3.924 -0.423 -11.989) 12.622 25.809 ( -1.434 7.261 0.054) 7.402 26.018 ( -6.527 26.773 -15.403) 31.570 ======================= Grid point 120 (42/117) ======================= q-point: ( 0.10 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( 35.409 0.000 6.342) 35.973 1.087 ( 23.415 0.000 22.158) 32.238 1.316 ( 15.957 0.000 35.739) 39.140 1.551 ( 7.834 0.000 -21.798) 23.163 1.801 ( 31.867 0.000 -11.009) 33.715 2.186 ( -11.776 -0.000 -0.513) 11.788 2.427 ( 6.141 0.000 -4.450) 7.583 2.452 ( 5.643 0.000 4.313) 7.103 2.646 ( -2.598 -0.000 -5.963) 6.504 2.849 ( -0.310 -0.000 1.256) 1.293 3.049 ( -4.242 -0.000 0.820) 4.321 3.085 ( -4.079 -0.000 8.520) 9.446 3.321 ( 10.434 0.000 -14.086) 17.530 3.531 ( 3.960 0.000 -9.271) 10.081 3.778 ( 2.528 0.000 -6.009) 6.519 3.842 ( 2.577 0.000 0.805) 2.700 3.888 ( -0.463 -0.000 0.135) 0.482 3.904 ( 3.374 0.000 2.483) 4.190 3.975 ( 3.034 0.000 -4.043) 5.055 3.983 ( 8.023 0.000 6.842) 10.544 4.599 ( -9.125 -0.000 17.883) 20.076 4.724 ( -5.111 -0.000 -3.512) 6.202 4.865 ( -2.448 -0.000 13.787) 14.003 4.898 ( 2.625 0.000 1.081) 2.839 5.461 ( 7.302 0.000 -7.394) 10.392 5.641 ( 7.204 0.000 -16.191) 17.721 5.878 ( 2.429 0.000 -1.127) 2.678 5.909 ( 3.414 0.000 -0.505) 3.451 6.500 ( -2.424 -0.000 11.858) 12.103 6.643 ( 3.465 0.000 3.416) 4.866 6.746 ( -6.719 -0.000 -0.104) 6.720 6.863 ( -10.081 -0.000 -5.189) 11.338 7.315 ( 6.867 0.000 1.569) 7.044 7.501 ( 0.556 0.000 0.744) 0.929 7.555 ( 2.949 0.000 0.431) 2.980 7.710 ( -0.577 -0.000 -11.810) 11.824 7.985 ( -12.085 -0.000 3.463) 12.571 8.140 ( 5.948 0.000 9.801) 11.464 8.606 ( -10.479 -0.000 -7.209) 12.720 8.694 ( 4.889 0.000 5.837) 7.614 8.843 ( 3.506 0.000 -3.550) 4.990 8.909 ( -4.080 -0.000 -4.612) 6.158 9.202 ( 5.773 0.000 8.509) 10.283 9.239 ( 15.832 0.000 -14.937) 21.766 9.817 ( -1.484 -0.000 0.105) 1.488 9.839 ( 14.080 0.000 -3.522) 14.514 9.975 ( -3.369 -0.000 -2.312) 4.086 10.016 ( -6.639 -0.000 -8.980) 11.168 11.123 ( 0.954 0.000 -1.443) 1.730 11.373 ( 1.089 0.000 5.718) 5.821 11.717 ( 7.757 0.000 -1.136) 7.840 12.134 ( 7.486 0.000 -0.761) 7.525 12.830 ( -5.526 -0.000 4.275) 6.986 12.853 ( -25.602 -0.000 7.860) 26.781 13.479 ( -17.417 -0.000 23.999) 29.653 13.924 ( -10.058 -0.000 -8.391) 13.098 15.300 ( -0.542 -0.000 -0.931) 1.077 15.302 ( 1.565 0.000 0.806) 1.760 20.679 ( 7.132 0.000 4.237) 8.296 20.732 ( 14.954 0.000 -9.176) 17.545 21.408 ( -0.964 -0.000 0.511) 1.091 21.426 ( 0.362 0.000 -0.396) 0.536 21.743 ( -3.247 -0.000 4.852) 5.838 21.775 ( -6.579 -0.000 -3.241) 7.334 22.394 ( -4.024 -0.000 1.305) 4.230 22.405 ( -4.269 -0.000 -1.344) 4.475 24.420 ( 14.262 0.000 1.073) 14.302 24.630 ( 20.546 0.000 -11.790) 23.688 24.951 ( -2.021 -0.000 1.142) 2.322 25.168 ( 2.792 0.000 -5.399) 6.078 25.774 ( 5.462 0.000 -2.225) 5.898 25.780 ( 3.443 0.000 0.519) 3.482 ======================= Grid point 121 (43/117) ======================= q-point: ( 0.20 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( 11.092 -0.408 20.560) 23.365 1.301 ( 34.702 -1.412 4.200) 34.983 1.746 ( 10.781 -15.979 0.128) 19.276 1.897 ( 17.352 -15.028 -1.494) 23.003 2.055 ( 9.621 -5.575 -21.557) 24.256 2.075 ( -5.827 -3.256 -0.957) 6.743 2.507 ( 6.317 -0.524 -4.526) 7.788 2.624 ( 7.990 -11.899 9.113) 16.984 2.704 ( 4.466 -5.238 -2.638) 7.372 2.861 ( 13.513 0.466 10.046) 16.844 2.983 ( -5.180 4.256 6.024) 9.013 3.102 ( 0.595 -0.221 6.182) 6.215 3.399 ( 15.527 -0.984 -15.040) 21.639 3.551 ( 4.788 -3.503 -7.581) 9.626 3.659 ( 2.621 9.358 -6.530) 11.708 3.813 ( 4.162 1.264 -2.182) 4.866 3.902 ( 2.823 2.919 1.386) 4.291 3.931 ( 2.855 2.442 5.511) 6.670 4.048 ( 5.474 -2.370 -0.311) 5.973 4.126 ( 2.027 -5.493 -4.013) 7.098 4.500 ( -3.835 4.616 19.162) 20.079 4.689 ( -5.981 -1.952 -3.788) 7.343 4.961 ( 1.288 -3.777 -0.541) 4.028 5.013 ( 0.320 -9.839 12.255) 15.720 5.496 ( 5.306 1.676 -9.793) 11.263 5.646 ( 6.748 2.656 -12.650) 14.581 5.893 ( 7.294 0.440 3.985) 8.323 5.998 ( 3.906 -3.210 -3.107) 5.934 6.452 ( -3.304 3.575 5.858) 7.617 6.642 ( -7.716 0.298 -2.562) 8.136 6.739 ( 1.920 0.983 8.006) 8.291 6.805 ( -7.251 -4.737 1.791) 8.844 7.306 ( 1.691 10.571 -1.812) 10.857 7.403 ( 1.868 9.635 -0.562) 9.830 7.533 ( -4.483 0.271 -1.972) 4.905 7.570 ( -3.980 6.293 -9.098) 11.757 7.870 ( -10.134 3.069 10.146) 14.665 8.166 ( 4.154 3.770 9.067) 10.662 8.471 ( -12.114 -0.683 -7.541) 14.285 8.695 ( -2.581 2.476 0.421) 3.602 8.809 ( 1.500 1.729 -3.060) 3.821 8.884 ( -0.162 -0.501 -0.547) 0.759 9.265 ( 10.306 -0.039 -0.830) 10.340 9.525 ( 7.578 -7.079 -5.525) 11.750 9.696 ( -6.093 2.472 6.139) 8.996 9.933 ( -5.085 0.044 -5.643) 7.596 9.991 ( 12.923 -2.662 -11.416) 17.447 10.098 ( 0.845 -14.575 3.245) 14.955 11.141 ( 1.038 -0.992 -2.074) 2.522 11.424 ( 0.572 -2.460 5.228) 5.806 11.813 ( 11.358 0.283 -3.077) 11.771 12.158 ( 4.647 4.282 0.633) 6.350 12.599 ( -17.564 3.593 8.709) 19.931 12.855 ( -6.429 -6.968 5.588) 11.005 13.319 ( -4.078 8.998 14.492) 17.539 13.593 ( -8.297 18.627 -13.338) 24.366 15.417 ( -3.107 -10.578 -1.776) 11.167 15.457 ( -1.538 -13.316 1.338) 13.471 20.706 ( 8.642 3.505 0.228) 9.329 20.909 ( 9.418 -4.320 -0.979) 10.407 21.370 ( -2.666 2.083 -0.063) 3.384 21.442 ( -1.148 -0.119 -0.805) 1.407 21.502 ( -1.436 7.922 0.194) 8.053 21.932 ( 1.302 -6.680 -0.019) 6.806 22.315 ( -4.515 3.484 0.108) 5.704 22.333 ( -5.918 1.878 -0.355) 6.219 24.297 ( 12.773 20.494 0.768) 24.161 24.621 ( 5.075 3.806 -0.084) 6.344 25.029 ( -1.657 -3.188 -1.343) 3.836 25.249 ( -4.238 -1.272 -1.158) 4.574 25.895 ( 4.740 -7.405 0.231) 8.795 26.064 ( 10.849 -19.571 -6.509) 23.304 ======================= Grid point 122 (44/117) ======================= q-point: ( 0.30 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( 9.972 -2.392 10.297) 14.532 1.689 ( 28.307 -3.777 -3.037) 28.719 1.941 ( 2.062 -3.005 4.528) 5.812 2.109 ( 5.902 -0.940 2.442) 6.456 2.176 ( -0.060 -8.987 -13.860) 16.519 2.362 ( 10.531 -19.349 -9.233) 23.886 2.551 ( 3.957 -1.223 -4.632) 6.213 2.675 ( 1.307 8.634 -0.017) 8.733 2.839 ( 2.591 -0.671 8.416) 8.832 2.890 ( -1.574 -0.411 3.606) 3.956 3.128 ( 1.433 -1.502 4.455) 4.915 3.327 ( 13.908 -17.664 6.436) 23.386 3.503 ( 4.753 8.500 -5.715) 11.292 3.587 ( 7.474 -4.860 -3.983) 9.764 3.727 ( 9.859 -3.898 -7.729) 13.120 3.883 ( 6.320 5.472 4.430) 9.461 3.905 ( 9.553 -6.980 -8.806) 14.748 3.962 ( 6.187 -4.024 14.535) 16.301 4.125 ( 7.699 0.173 -0.865) 7.749 4.174 ( -4.037 -6.073 -0.154) 7.294 4.519 ( 1.891 -1.345 5.270) 5.759 4.678 ( -5.004 -5.641 -2.409) 7.916 5.028 ( -1.913 -3.835 -0.403) 4.305 5.158 ( 5.563 2.031 2.367) 6.377 5.500 ( -0.368 -3.186 -3.725) 4.916 5.635 ( 4.316 1.775 -5.312) 7.071 5.850 ( -5.242 8.020 0.716) 9.608 6.183 ( 13.290 -8.105 2.047) 15.700 6.417 ( -6.533 5.357 5.476) 10.068 6.488 ( 2.918 4.366 -2.525) 5.827 6.706 ( 0.618 6.199 -5.681) 8.431 6.873 ( -1.308 -5.583 7.660) 9.568 6.981 ( -7.075 11.669 -2.951) 13.961 7.230 ( 5.437 14.660 2.121) 15.779 7.390 ( -10.207 0.885 -4.041) 11.013 7.540 ( 4.590 3.842 -0.514) 6.007 7.734 ( -7.275 2.840 8.291) 11.390 8.191 ( 4.078 0.679 6.947) 8.084 8.354 ( -11.911 -0.363 -5.799) 13.253 8.589 ( -6.823 3.835 -2.650) 8.264 8.805 ( 1.924 0.174 -3.250) 3.781 8.883 ( -1.718 -0.670 -2.203) 2.873 9.344 ( 3.586 0.249 3.290) 4.873 9.447 ( -2.975 5.288 -4.542) 7.579 9.689 ( -14.078 -3.467 -0.607) 14.511 9.954 ( 4.099 -3.744 2.427) 6.059 10.171 ( 12.139 -5.122 -6.181) 14.553 10.489 ( 5.252 -20.709 6.047) 22.204 11.164 ( 0.508 -1.426 -1.912) 2.438 11.486 ( 1.286 -2.402 1.956) 3.354 11.910 ( 7.678 -0.705 -1.163) 7.798 12.093 ( 4.185 6.868 0.195) 8.045 12.395 ( -9.571 5.933 2.727) 11.587 12.937 ( -4.108 -2.390 -1.657) 5.033 13.138 ( -1.514 11.654 9.338) 15.010 13.203 ( -2.190 10.422 -7.717) 13.152 15.557 ( -4.091 -9.171 -1.889) 10.218 15.673 ( -2.527 -12.116 1.673) 12.490 20.743 ( 7.401 1.436 -0.518) 7.557 21.057 ( 5.762 -3.449 3.938) 7.785 21.270 ( -3.452 3.995 -4.159) 6.721 21.372 ( -0.650 3.004 -0.396) 3.099 21.475 ( -1.078 -0.812 0.112) 1.355 21.996 ( 3.758 3.431 0.790) 5.149 22.210 ( -3.437 2.917 0.671) 4.558 22.246 ( -3.923 1.161 -0.698) 4.150 24.108 ( 6.662 11.903 2.409) 13.851 24.585 ( 1.078 2.861 -2.942) 4.243 25.049 ( -0.824 -0.850 -2.599) 2.856 25.156 ( -5.533 3.785 3.125) 7.396 26.095 ( 4.027 -8.976 0.409) 9.847 26.452 ( 6.870 -13.380 -2.642) 15.271 ======================= Grid point 123 (45/117) ======================= q-point: ( 0.40 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( 11.570 -0.252 -1.356) 11.652 1.918 ( 9.584 -0.981 1.513) 9.752 2.058 ( 4.386 -4.148 5.712) 8.311 2.164 ( 4.851 1.328 1.035) 5.135 2.312 ( 0.402 -9.249 -5.882) 10.969 2.519 ( 0.771 6.581 -0.843) 6.680 2.599 ( 3.584 -1.046 -4.440) 5.801 2.720 ( 12.007 -6.517 -1.677) 13.764 2.827 ( 7.418 5.986 1.449) 9.641 2.986 ( -0.149 -7.901 -1.490) 8.042 3.194 ( 3.113 -2.996 0.597) 4.361 3.287 ( -0.734 8.684 0.549) 8.732 3.656 ( 1.702 2.616 -0.399) 3.146 3.663 ( 0.199 4.997 0.339) 5.013 3.768 ( 5.075 -8.944 -1.074) 10.339 3.881 ( 9.553 3.603 4.918) 11.333 3.996 ( 7.994 -2.801 -1.208) 8.556 4.183 ( -0.514 -1.341 8.517) 8.637 4.392 ( 3.962 -10.692 -1.640) 11.519 4.413 ( 11.272 -16.930 -4.534) 20.838 4.571 ( 0.113 -9.373 1.451) 9.485 4.785 ( 0.392 -7.625 0.570) 7.656 5.034 ( -0.886 4.912 -1.099) 5.111 5.124 ( 0.844 1.197 1.576) 2.152 5.373 ( -8.890 14.452 1.027) 16.998 5.611 ( 0.332 1.840 -3.914) 4.338 5.797 ( -0.431 -8.315 0.481) 8.340 6.059 ( -10.184 15.136 -0.871) 18.264 6.347 ( -0.937 3.356 -3.593) 5.005 6.532 ( 2.569 0.156 -3.093) 4.024 6.672 ( 12.069 -1.028 -1.277) 12.180 6.851 ( 5.265 5.206 4.728) 8.785 7.015 ( 1.668 3.840 2.026) 4.651 7.085 ( 8.055 -2.760 5.806) 10.306 7.263 ( -6.982 2.633 1.776) 7.671 7.488 ( -1.976 0.913 -6.398) 6.758 7.722 ( 2.998 -1.133 8.807) 9.372 8.142 ( -6.760 6.327 -6.147) 11.114 8.280 ( -4.693 -2.312 7.964) 9.529 8.406 ( -6.960 6.826 -2.511) 10.066 8.815 ( 0.933 0.209 -5.461) 5.544 8.860 ( -0.493 0.235 -5.830) 5.855 9.269 ( -4.879 4.355 3.153) 7.260 9.443 ( 2.938 -1.924 -0.327) 3.527 9.608 ( -14.574 -5.964 -1.886) 15.860 10.066 ( 6.984 -0.540 4.191) 8.162 10.338 ( 4.140 -4.206 -0.911) 5.971 10.854 ( 0.061 -14.766 -1.109) 14.808 11.204 ( 0.861 -2.514 1.025) 2.848 11.567 ( 2.054 -4.739 2.672) 5.815 11.910 ( -5.281 2.196 3.796) 6.864 12.099 ( 17.803 3.922 -6.344) 19.303 12.217 ( -6.233 5.166 2.228) 8.397 12.739 ( -3.646 9.986 -12.118) 16.121 12.974 ( 0.566 11.249 8.340) 14.015 13.178 ( -0.480 -4.114 1.613) 4.445 15.654 ( -3.000 -6.450 -2.127) 7.425 15.843 ( -2.157 -8.765 2.089) 9.265 20.792 ( 5.761 0.465 -0.910) 5.851 21.156 ( 0.937 3.255 -4.324) 5.493 21.182 ( -0.497 -3.692 4.365) 5.738 21.322 ( -0.298 1.923 0.221) 1.959 21.473 ( -1.847 -0.594 0.053) 1.941 21.894 ( -0.820 8.270 0.909) 8.360 22.161 ( -0.335 1.233 0.544) 1.389 22.221 ( -0.012 -0.167 -0.357) 0.395 24.001 ( 4.091 7.070 2.644) 8.586 24.541 ( 0.687 1.555 -4.279) 4.604 24.973 ( -4.226 4.523 -4.169) 7.463 25.114 ( -1.636 -1.331 4.803) 5.246 26.278 ( 3.149 -6.979 0.100) 7.657 26.663 ( 2.333 -6.045 -0.118) 6.481 ======================= Grid point 124 (46/117) ======================= q-point: ( 0.50 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 10.885 7.047 0.961) 13.003 2.053 ( 2.724 -7.712 1.414) 8.300 2.129 ( 3.822 3.643 -0.157) 5.282 2.174 ( -1.629 -4.280 0.441) 4.601 2.380 ( 4.778 9.147 -4.475) 11.249 2.458 ( 1.169 -2.699 0.473) 2.979 2.631 ( 4.323 2.413 -0.990) 5.049 2.825 ( 10.404 3.069 -0.981) 10.892 2.869 ( 8.519 2.188 2.352) 9.104 3.089 ( 3.133 -2.193 -2.012) 4.322 3.240 ( 0.214 4.932 0.080) 4.937 3.248 ( -3.272 -7.932 2.202) 8.859 3.552 ( 0.516 2.104 -1.892) 2.876 3.599 ( 6.503 6.902 -0.436) 9.493 3.833 ( -1.015 -1.047 -0.865) 1.696 4.001 ( 8.204 -2.400 1.599) 8.696 4.142 ( -2.302 4.485 2.007) 5.426 4.292 ( 5.076 -12.179 5.048) 14.127 4.386 ( -4.281 0.006 -1.523) 4.544 4.580 ( -4.870 10.232 -2.886) 11.693 4.779 ( 1.972 -9.793 -0.049) 9.989 4.862 ( -4.178 8.633 2.303) 9.863 4.941 ( -2.234 -5.266 -1.238) 5.852 5.080 ( 1.011 -1.001 2.387) 2.779 5.279 ( 3.858 -11.836 4.089) 13.103 5.503 ( -2.212 12.276 -5.940) 13.816 5.802 ( 0.140 2.221 -3.993) 4.571 5.987 ( -2.377 -10.114 0.799) 10.421 6.249 ( -3.908 0.840 -5.019) 6.416 6.440 ( -1.465 8.868 -0.211) 8.990 6.713 ( -4.903 4.981 6.949) 9.856 6.874 ( 3.195 2.854 -0.925) 4.383 6.959 ( 7.659 4.206 4.064) 9.637 7.037 ( -9.694 0.532 0.754) 9.738 7.435 ( -3.232 -0.280 -7.459) 8.134 7.463 ( 19.881 -5.426 2.566) 20.767 7.887 ( 8.746 -6.950 7.162) 13.270 7.904 ( -12.053 7.765 -0.265) 14.340 8.183 ( -2.880 4.076 -2.072) 5.404 8.361 ( -1.766 -3.030 7.091) 7.911 8.766 ( 0.684 2.231 -9.825) 10.098 8.841 ( 1.929 1.982 -6.842) 7.380 9.189 ( -1.473 1.461 4.827) 5.254 9.506 ( 1.698 -2.320 -1.608) 3.294 9.617 ( -11.465 -9.576 -0.483) 14.946 10.120 ( 7.086 4.023 5.422) 9.788 10.380 ( -2.923 -0.627 -0.461) 3.025 11.038 ( -6.817 -10.935 -4.741) 13.730 11.268 ( 3.431 -2.163 3.188) 5.159 11.679 ( 0.512 -2.811 3.052) 4.180 11.837 ( -1.368 2.959 5.116) 6.067 12.025 ( -3.676 5.099 -6.621) 9.130 12.257 ( 13.275 0.516 -0.518) 13.295 12.561 ( 0.230 3.773 -9.511) 10.234 12.816 ( 1.654 8.901 6.299) 11.029 13.224 ( -2.497 -1.613 2.025) 3.597 15.723 ( -0.745 -4.026 -2.118) 4.610 15.954 ( -1.691 -5.122 2.075) 5.779 20.828 ( 4.329 0.934 -1.326) 4.623 21.069 ( -1.083 3.410 -4.329) 5.617 21.275 ( -1.514 -3.779 3.594) 5.430 21.316 ( 1.766 -1.297 2.990) 3.707 21.462 ( -1.936 -0.423 0.083) 1.983 21.726 ( -4.043 7.377 -0.525) 8.429 22.149 ( 1.005 0.758 0.575) 1.384 22.227 ( 0.834 0.133 -0.234) 0.876 23.951 ( 4.618 3.894 2.386) 6.494 24.528 ( 1.420 -0.303 -5.121) 5.323 24.840 ( -5.221 3.682 -1.565) 6.578 25.144 ( -0.567 -1.714 2.991) 3.494 26.400 ( 2.858 -3.170 -0.361) 4.283 26.739 ( -0.938 -2.202 0.699) 2.493 ======================= Grid point 125 (47/117) ======================= q-point: (-0.40 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( 9.208 1.926 6.662) 11.527 2.078 ( 3.725 4.508 -1.231) 5.976 2.155 ( 1.954 3.027 -2.029) 4.135 2.245 ( 3.592 7.304 -2.469) 8.506 2.313 ( -2.958 -13.865 -0.106) 14.177 2.502 ( 6.145 1.268 -1.848) 6.541 2.598 ( 2.955 3.851 0.399) 4.871 2.811 ( 1.273 7.424 3.438) 8.280 2.898 ( 12.268 7.230 -0.662) 14.255 3.007 ( -6.071 11.156 1.458) 12.784 3.163 ( 6.202 0.787 -2.067) 6.584 3.299 ( -1.193 6.176 -1.719) 6.521 3.545 ( 0.048 -2.280 -1.543) 2.754 3.653 ( 4.477 -2.556 -2.077) 5.558 3.797 ( -5.129 1.800 -1.168) 5.559 3.964 ( -6.661 6.007 4.107) 9.865 4.057 ( -3.089 2.422 1.754) 4.299 4.185 ( -7.371 4.470 5.410) 10.177 4.462 ( -2.199 1.758 -3.831) 4.754 4.511 ( -2.879 1.896 -2.712) 4.386 4.745 ( 3.388 -15.995 4.284) 16.902 4.866 ( 1.482 1.663 0.653) 2.321 5.027 ( -4.587 -2.525 0.149) 5.238 5.138 ( -5.299 17.816 -0.808) 18.605 5.282 ( 10.259 -7.172 -1.063) 12.562 5.583 ( 7.292 -11.262 2.061) 13.574 5.806 ( 0.690 -1.073 -1.315) 1.832 6.068 ( 0.607 2.219 -4.010) 4.623 6.209 ( -4.790 1.623 0.125) 5.059 6.290 ( -2.275 0.660 1.227) 2.667 6.498 ( -12.315 7.174 -2.505) 14.471 6.641 ( -17.171 6.953 1.533) 18.589 6.996 ( 5.688 2.072 -0.458) 6.071 7.138 ( 3.971 -7.999 4.348) 9.932 7.352 ( -1.547 3.675 -3.719) 5.453 7.666 ( 3.817 4.913 2.850) 6.843 7.682 ( -3.625 -1.574 1.048) 4.089 8.049 ( 7.995 0.294 -2.185) 8.293 8.254 ( 4.032 -8.855 4.932) 10.908 8.440 ( 0.470 -3.366 8.814) 9.446 8.722 ( 2.387 1.052 -11.621) 11.911 8.800 ( 3.765 2.707 -6.894) 8.308 9.219 ( 1.558 -3.290 2.855) 4.626 9.543 ( 2.548 0.109 -0.350) 2.574 9.694 ( -10.678 -10.307 0.067) 14.841 10.097 ( 2.334 4.690 3.552) 6.329 10.341 ( 0.955 3.069 1.090) 3.394 11.058 ( -10.260 -2.463 -5.852) 12.066 11.359 ( 1.596 -0.549 5.896) 6.133 11.674 ( 0.758 -0.360 -3.141) 3.251 11.808 ( 1.783 2.109 5.182) 5.872 11.926 ( -4.389 1.607 -1.317) 4.856 12.306 ( 4.491 3.487 -6.253) 8.452 12.575 ( 10.558 0.010 -1.270) 10.634 12.766 ( 1.531 -1.292 2.683) 3.348 13.196 ( -5.662 0.401 1.698) 5.925 15.773 ( 1.721 -1.605 -1.790) 2.957 16.005 ( -1.273 -1.677 1.666) 2.685 20.833 ( 3.185 2.607 -0.799) 4.193 20.996 ( -0.973 2.389 -1.937) 3.226 21.314 ( 2.102 -1.054 0.056) 2.352 21.407 ( -3.447 -6.624 5.882) 9.506 21.449 ( -1.698 0.181 -0.333) 1.740 21.556 ( -5.337 5.369 -1.815) 7.785 22.154 ( 1.241 0.058 0.094) 1.246 22.231 ( 0.344 -0.026 -0.196) 0.397 23.968 ( 6.353 1.080 2.012) 6.751 24.546 ( 0.330 -2.238 -8.793) 9.080 24.747 ( -3.551 1.336 4.229) 5.682 25.175 ( -0.462 -1.498 1.525) 2.187 26.439 ( 2.736 1.980 -0.459) 3.409 26.743 ( -2.964 -0.450 0.435) 3.029 ======================= Grid point 126 (48/117) ======================= q-point: (-0.30 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 7.179 -1.329 8.020) 10.845 2.003 ( 4.689 7.455 -0.537) 8.823 2.063 ( 3.334 9.812 1.896) 10.535 2.158 ( -3.132 6.234 -0.303) 6.983 2.440 ( -0.676 3.510 -1.612) 3.922 2.485 ( -4.966 9.149 1.671) 10.543 2.553 ( 3.411 -2.214 -1.259) 4.257 2.628 ( 4.399 14.012 2.784) 14.948 2.783 ( -2.702 1.274 -1.850) 3.514 2.851 ( 4.260 7.023 -6.793) 10.659 3.140 ( 6.720 2.284 -7.291) 10.175 3.274 ( 1.873 -1.375 3.756) 4.416 3.484 ( -11.079 6.705 1.319) 13.017 3.619 ( -0.813 8.633 0.326) 8.678 3.759 ( -2.622 -7.371 -3.543) 8.588 3.790 ( -4.185 0.882 2.415) 4.911 3.997 ( -3.839 4.221 3.561) 6.726 4.073 ( -5.686 4.390 7.529) 10.406 4.369 ( -11.853 12.181 -3.130) 17.282 4.543 ( -0.923 -8.463 -6.326) 10.607 4.735 ( 3.781 17.064 -1.609) 17.552 4.775 ( 0.555 10.249 0.676) 10.287 5.013 ( -2.230 -7.816 6.068) 10.143 5.065 ( -0.977 -2.792 -0.967) 3.112 5.511 ( 12.049 -6.477 3.399) 14.096 5.748 ( 0.859 -1.137 -5.267) 5.456 5.884 ( -4.105 -10.177 2.389) 11.231 5.964 ( 3.653 7.941 4.757) 9.952 6.103 ( 1.777 1.800 -4.982) 5.587 6.230 ( -11.039 4.950 0.413) 12.106 6.294 ( -10.509 3.627 -2.926) 11.496 6.500 ( -7.323 -9.225 2.804) 12.107 7.035 ( 0.944 -3.329 -3.478) 4.906 7.238 ( -1.860 -2.851 -7.021) 7.802 7.391 ( 6.344 -6.111 2.335) 9.113 7.601 ( -1.057 -0.757 3.752) 3.971 7.760 ( 2.452 -1.644 3.653) 4.696 8.061 ( 4.793 4.804 -1.089) 6.873 8.452 ( 1.484 -7.273 6.628) 9.951 8.527 ( 0.383 -4.297 6.613) 7.896 8.693 ( 2.955 2.532 -9.158) 9.951 8.807 ( 4.441 -0.107 -4.800) 6.540 9.324 ( 1.496 -4.828 -0.466) 5.076 9.558 ( 3.903 1.520 0.296) 4.199 9.738 ( -10.167 -5.341 1.606) 11.597 10.026 ( -6.129 1.259 -1.698) 6.484 10.319 ( 12.164 7.285 4.191) 14.785 10.900 ( -9.514 6.975 -4.197) 12.521 11.327 ( -1.149 2.702 2.549) 3.888 11.713 ( -2.278 2.633 -14.456) 14.869 11.789 ( -2.108 -3.011 8.048) 8.847 11.901 ( 6.407 1.152 7.262) 9.753 12.244 ( -0.506 2.589 -2.633) 3.727 12.712 ( 13.772 -1.180 1.672) 13.923 12.889 ( -1.483 -10.574 -2.545) 10.977 13.129 ( -6.517 -0.355 1.274) 6.650 15.803 ( 3.598 0.891 -1.085) 3.862 15.996 ( -0.976 1.897 0.734) 2.256 20.790 ( 1.397 4.531 0.832) 4.814 20.961 ( -0.095 0.915 -0.164) 0.935 21.348 ( -0.125 2.271 -2.364) 3.280 21.375 ( -1.348 1.046 -0.590) 1.805 21.458 ( -5.350 -2.508 1.390) 6.070 21.519 ( -3.314 -5.323 2.887) 6.903 22.178 ( 1.701 -1.444 -0.518) 2.291 22.240 ( -0.132 -1.236 -0.178) 1.256 24.042 ( 7.698 -0.501 1.719) 7.903 24.531 ( -5.400 -1.622 -10.358) 11.793 24.782 ( 2.813 -3.985 7.880) 9.268 25.195 ( -0.661 -1.108 0.308) 1.327 26.378 ( 2.090 7.561 0.533) 7.863 26.696 ( -4.059 1.869 -1.730) 4.792 ======================= Grid point 127 (49/117) ======================= q-point: (-0.20 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( -17.217 13.306 17.642) 28.012 1.815 ( 0.855 24.383 6.713) 25.304 1.875 ( 10.573 12.670 -3.694) 16.911 1.971 ( 6.932 5.823 -1.503) 9.177 2.191 ( -5.760 13.594 -1.486) 14.838 2.361 ( 0.529 1.503 -5.012) 5.259 2.495 ( 0.633 3.295 1.011) 3.504 2.627 ( 3.120 -0.669 -7.317) 7.982 2.749 ( -4.773 -0.639 -1.751) 5.124 2.859 ( 7.069 1.107 -5.627) 9.102 3.125 ( 3.779 12.662 0.558) 13.226 3.169 ( -10.338 2.671 4.981) 11.782 3.376 ( -1.142 -2.179 3.241) 4.069 3.561 ( 0.643 1.777 -0.173) 1.898 3.669 ( -5.560 11.972 2.882) 13.511 3.791 ( -7.487 1.717 4.088) 8.702 3.885 ( -1.771 -1.787 -0.767) 2.630 3.952 ( -4.970 6.543 2.209) 8.508 3.974 ( 0.570 14.297 -5.633) 15.377 4.452 ( -2.830 10.467 4.876) 11.889 4.578 ( 2.145 7.678 -6.829) 10.497 4.731 ( 1.340 -6.679 -4.716) 8.286 5.034 ( 4.160 3.943 -1.216) 5.860 5.070 ( -4.433 -0.799 3.225) 5.541 5.671 ( -1.988 4.423 -0.744) 4.906 5.673 ( -0.820 2.339 -2.710) 3.672 5.906 ( -4.877 7.276 5.253) 10.213 6.021 ( -4.009 -14.851 10.339) 18.534 6.097 ( -3.055 2.204 -2.577) 4.564 6.185 ( 6.931 -4.356 -8.572) 11.853 6.321 ( 4.050 -18.068 1.647) 18.590 6.638 ( -4.876 -8.568 7.785) 12.561 7.108 ( -3.117 -7.595 -8.573) 11.869 7.293 ( 3.248 -4.950 -11.502) 12.936 7.511 ( 4.815 1.006 1.522) 5.149 7.679 ( 0.194 -3.482 -4.022) 5.324 7.839 ( 1.633 -6.076 6.183) 8.821 8.004 ( -2.631 1.135 6.124) 6.761 8.589 ( 2.364 -4.437 2.396) 5.569 8.631 ( 1.622 -3.004 0.463) 3.445 8.672 ( 1.439 -1.585 1.150) 2.430 8.823 ( 1.542 1.918 1.648) 2.962 9.363 ( 1.168 2.227 -1.871) 3.135 9.554 ( -5.859 0.067 0.903) 5.929 9.708 ( 3.032 2.635 -0.846) 4.105 9.939 ( -8.503 -1.072 -3.376) 9.211 10.317 ( 14.025 9.663 2.825) 17.265 10.636 ( -10.609 9.698 0.293) 14.377 11.284 ( -1.051 1.780 -1.039) 2.313 11.533 ( -1.846 6.586 -13.869) 15.464 11.839 ( -5.468 -1.805 4.670) 7.414 11.972 ( 9.372 3.329 1.986) 10.142 12.273 ( 3.182 -5.918 10.371) 12.357 12.867 ( 7.212 -1.752 1.612) 7.595 13.024 ( -6.643 -8.711 -2.747) 11.294 13.174 ( 0.389 -11.121 -2.503) 11.406 15.806 ( 4.215 2.988 -0.525) 5.193 15.914 ( -0.821 6.445 -0.635) 6.528 20.718 ( 0.827 4.811 2.082) 5.307 20.921 ( -4.536 2.200 -0.821) 5.108 21.277 ( 1.901 0.851 0.227) 2.095 21.414 ( 3.214 -0.912 -0.147) 3.344 21.453 ( -2.558 -1.062 0.441) 2.805 21.572 ( -7.770 -5.731 1.929) 9.846 22.240 ( 2.151 -3.445 -0.825) 4.144 22.279 ( -0.392 -3.472 -0.176) 3.499 24.133 ( 7.734 -0.128 1.742) 7.928 24.458 ( -7.899 -0.302 -6.316) 10.118 24.963 ( 5.979 -8.741 4.457) 11.490 25.202 ( -1.424 -0.733 0.029) 1.602 26.218 ( 1.065 12.105 2.105) 12.332 26.571 ( -4.216 6.767 -6.636) 10.374 ======================= Grid point 128 (50/117) ======================= q-point: (-0.10 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( -15.516 24.605 12.254) 31.564 1.383 ( -7.930 22.966 19.380) 31.079 1.691 ( 11.846 18.007 -8.711) 23.248 1.905 ( 3.564 14.368 0.826) 14.827 1.998 ( -3.890 4.205 2.546) 6.269 2.298 ( 3.483 10.781 -6.399) 13.012 2.425 ( 3.136 4.512 4.203) 6.918 2.573 ( 4.804 15.531 10.194) 19.189 2.632 ( 5.290 4.983 -11.070) 13.242 2.771 ( -3.508 -0.562 -3.327) 4.868 3.039 ( 2.089 -3.053 -1.748) 4.091 3.110 ( -1.373 1.184 2.974) 3.483 3.350 ( -4.293 15.411 -5.170) 16.813 3.461 ( 0.057 -3.939 4.085) 5.675 3.516 ( 0.025 1.530 0.791) 1.722 3.721 ( -3.719 -1.165 0.165) 3.901 3.804 ( 0.180 1.419 2.200) 2.624 3.846 ( 1.609 1.616 -4.690) 5.215 3.938 ( 1.679 -0.346 0.153) 1.722 4.353 ( -0.457 9.016 -12.113) 15.106 4.456 ( -4.653 -3.061 15.659) 16.620 4.831 ( 0.186 -2.072 -3.625) 4.180 5.002 ( 1.707 3.670 2.064) 4.544 5.070 ( -0.720 -0.985 2.957) 3.199 5.510 ( -1.603 6.775 -4.545) 8.314 5.608 ( 1.018 2.849 -5.732) 6.482 5.774 ( -0.849 3.698 6.403) 7.443 6.006 ( -0.474 3.716 -3.331) 5.013 6.261 ( 0.073 -8.859 1.200) 8.940 6.431 ( 9.290 -14.573 -3.713) 17.676 6.694 ( -1.241 -6.601 11.799) 13.577 6.781 ( -0.752 -18.455 7.448) 19.915 7.178 ( -5.486 -6.027 -8.956) 12.109 7.350 ( -1.913 -1.510 -19.490) 19.642 7.537 ( 5.956 1.186 3.472) 6.996 7.622 ( 1.905 4.803 -2.169) 5.603 7.969 ( -3.074 -5.193 5.262) 8.007 8.070 ( -7.516 -10.316 1.815) 12.892 8.623 ( 4.030 2.021 0.819) 4.582 8.706 ( -0.739 -4.937 -0.262) 4.999 8.768 ( 2.263 4.157 4.818) 6.754 8.792 ( -1.582 -4.672 3.991) 6.345 9.250 ( 1.761 10.477 1.304) 10.704 9.474 ( -2.895 1.907 0.570) 3.514 9.705 ( 5.161 3.400 -4.405) 7.590 9.880 ( -3.488 0.275 -2.612) 4.366 10.247 ( 6.465 10.184 0.219) 12.064 10.360 ( -11.597 8.038 -0.645) 14.125 11.212 ( -1.925 3.530 -1.786) 4.400 11.427 ( 6.147 4.197 -13.062) 15.034 11.769 ( -8.501 1.763 6.202) 10.670 11.998 ( 6.596 1.460 -3.574) 7.643 12.572 ( 6.732 -15.183 24.007) 29.192 12.892 ( -3.641 -0.550 1.019) 3.821 13.128 ( 1.491 -5.305 0.730) 5.559 13.472 ( -1.910 -23.217 -8.863) 24.925 15.722 ( -2.190 10.777 -0.180) 10.998 15.779 ( 2.823 6.932 -3.393) 8.218 20.647 ( -1.357 3.984 2.718) 5.010 20.790 ( -3.081 5.508 -4.173) 7.566 21.374 ( 5.111 -4.326 6.186) 9.116 21.442 ( -1.744 0.153 0.123) 1.755 21.465 ( 4.039 -0.798 2.657) 4.900 21.610 ( -3.814 -7.188 -0.447) 8.150 22.330 ( 1.220 -4.185 -0.364) 4.375 22.349 ( -1.207 -4.981 -0.400) 5.141 24.190 ( 0.813 0.467 2.763) 2.917 24.362 ( -1.792 2.560 -3.843) 4.953 25.160 ( 2.900 0.166 0.169) 2.910 25.229 ( -1.023 -9.486 -1.286) 9.628 25.999 ( 0.912 13.051 2.458) 13.312 26.318 ( -1.573 15.466 -13.928) 20.873 ======================= Grid point 131 (51/117) ======================= q-point: ( 0.20 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( 23.401 0.000 2.738) 23.560 1.614 ( 12.834 0.000 11.740) 17.393 1.649 ( 14.675 0.000 -11.573) 18.690 1.980 ( 0.780 0.000 -30.671) 30.681 2.001 ( 25.385 0.000 6.829) 26.287 2.025 ( 1.966 0.000 8.322) 8.551 2.520 ( 6.233 0.000 2.241) 6.624 2.613 ( 2.728 0.000 -0.814) 2.847 2.827 ( 21.513 0.000 7.989) 22.949 2.936 ( -1.482 -0.000 5.386) 5.586 3.039 ( -6.912 -0.000 14.974) 16.492 3.168 ( 17.751 0.000 -0.202) 17.753 3.521 ( 17.461 0.000 -8.795) 19.551 3.536 ( 4.639 0.000 -9.910) 10.942 3.760 ( 0.890 0.000 -10.824) 10.860 3.855 ( 3.986 0.000 -8.774) 9.637 3.898 ( 2.239 0.000 -1.294) 2.586 3.983 ( 5.468 0.000 -1.395) 5.644 4.014 ( -2.135 -0.000 -0.549) 2.205 4.211 ( 8.716 0.000 9.773) 13.095 4.586 ( -6.420 -0.000 -5.024) 8.152 4.611 ( 1.582 0.000 18.123) 18.192 4.920 ( -0.336 -0.000 16.602) 16.606 4.961 ( 3.436 0.000 -1.701) 3.834 5.570 ( 7.243 0.000 -8.587) 11.234 5.719 ( 8.827 0.000 -15.958) 18.237 5.948 ( 4.913 0.000 -2.472) 5.500 6.025 ( 7.849 0.000 2.345) 8.192 6.434 ( -10.129 -0.000 9.803) 14.096 6.559 ( -2.547 -0.000 -5.460) 6.025 6.682 ( -7.747 -0.000 4.874) 9.153 6.795 ( -0.432 -0.000 9.543) 9.553 7.413 ( -8.211 -0.000 -5.486) 9.875 7.418 ( -11.325 -0.000 -3.621) 11.890 7.487 ( 7.551 0.000 2.771) 8.043 7.599 ( -3.748 -0.000 -8.119) 8.943 7.829 ( -7.939 -0.000 10.298) 13.003 8.145 ( -16.056 -0.000 4.654) 16.717 8.402 ( -0.555 -0.000 -0.883) 1.043 8.730 ( -3.778 -0.000 2.634) 4.605 8.782 ( -3.641 -0.000 -4.884) 6.092 8.869 ( 2.245 0.000 -5.908) 6.320 9.402 ( 4.544 0.000 9.080) 10.154 9.486 ( 10.452 0.000 -6.606) 12.364 9.798 ( -4.070 -0.000 -13.484) 14.085 9.830 ( 0.116 0.000 6.662) 6.663 9.849 ( -5.003 -0.000 2.343) 5.524 10.167 ( 22.700 0.000 -19.471) 29.906 11.157 ( 3.808 0.000 -2.945) 4.814 11.441 ( 2.558 0.000 11.591) 11.870 11.941 ( 13.202 0.000 -3.620) 13.690 12.246 ( -0.251 -0.000 6.511) 6.515 12.456 ( -14.755 -0.000 8.179) 16.870 12.717 ( -6.992 -0.000 3.075) 7.638 13.385 ( -6.298 -0.000 15.055) 16.319 13.641 ( -10.799 -0.000 -14.911) 18.411 15.286 ( -0.563 -0.000 -0.318) 0.647 15.345 ( 2.277 0.000 0.276) 2.294 20.851 ( 5.829 0.000 7.408) 9.426 20.941 ( 11.026 0.000 -7.879) 13.552 21.391 ( -1.197 -0.000 1.052) 1.593 21.397 ( -2.831 -0.000 -1.975) 3.452 21.664 ( -1.294 -0.000 -3.394) 3.632 21.752 ( 1.442 0.000 2.639) 3.007 22.279 ( -7.281 -0.000 -1.403) 7.415 22.287 ( -6.674 -0.000 0.930) 6.739 24.636 ( 2.598 0.000 -0.093) 2.600 24.817 ( 4.273 0.000 -0.983) 4.385 24.993 ( 5.799 0.000 5.120) 7.735 25.109 ( -4.603 -0.000 -4.494) 6.433 25.900 ( 7.734 0.000 2.539) 8.140 25.947 ( 12.490 0.000 -6.530) 14.094 ======================= Grid point 132 (52/117) ======================= q-point: ( 0.30 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( 8.955 0.879 1.494) 9.121 1.809 ( 7.812 -5.096 -2.556) 9.671 1.958 ( 13.699 -12.117 -14.142) 23.119 2.020 ( 1.946 -9.096 -5.972) 11.054 2.104 ( 23.880 -0.856 3.804) 24.197 2.166 ( 5.591 0.501 -0.451) 5.631 2.568 ( 1.921 0.973 -0.187) 2.161 2.808 ( 3.951 -5.948 3.294) 7.864 2.904 ( -0.800 1.312 4.730) 4.973 2.947 ( 5.083 6.439 10.476) 13.306 3.046 ( 6.402 -7.014 6.215) 11.349 3.355 ( 13.836 1.384 2.200) 14.078 3.547 ( 3.437 -3.033 -7.427) 8.728 3.670 ( 2.642 5.811 -7.670) 9.979 3.769 ( 19.411 -5.290 -3.098) 20.356 3.891 ( -0.384 0.069 -0.214) 0.446 3.959 ( 2.290 -0.797 1.688) 2.955 4.027 ( 16.650 -3.988 -12.878) 21.423 4.114 ( 5.614 -5.518 0.835) 7.916 4.256 ( 7.494 6.708 10.321) 14.411 4.523 ( -7.115 -0.800 -1.303) 7.278 4.606 ( 3.289 2.835 8.505) 9.550 4.983 ( 1.886 0.217 -3.274) 3.785 5.113 ( 2.217 -10.854 14.394) 18.164 5.532 ( 3.618 5.916 -9.723) 11.943 5.728 ( 7.351 3.483 -11.392) 13.998 5.970 ( -3.984 8.533 -1.120) 9.484 6.162 ( 14.277 -9.654 1.712) 17.319 6.378 ( -10.188 -1.815 10.747) 14.919 6.522 ( -0.480 0.975 -3.776) 3.930 6.666 ( -3.137 -3.590 2.043) 5.187 6.824 ( -4.340 -1.921 5.420) 7.205 7.135 ( -11.169 13.090 -4.778) 17.858 7.313 ( -7.971 1.262 -4.234) 9.114 7.408 ( -1.720 5.990 -4.062) 7.439 7.640 ( 4.230 -2.555 3.415) 6.007 7.747 ( -6.411 4.956 10.553) 13.305 8.073 ( -14.677 -7.821 2.766) 16.859 8.345 ( -0.291 5.201 1.036) 5.311 8.598 ( -6.289 5.512 -3.532) 9.078 8.795 ( -2.236 -3.133 -1.806) 4.251 8.858 ( 1.288 1.422 -6.444) 6.724 9.405 ( -0.665 1.930 6.985) 7.277 9.532 ( 0.310 3.187 -13.041) 13.429 9.591 ( -4.665 9.573 4.630) 11.612 9.815 ( -2.614 -9.750 -2.703) 10.450 10.207 ( 8.033 -18.506 6.499) 21.195 10.304 ( 18.970 2.448 -11.804) 22.476 11.185 ( 5.781 0.911 -3.629) 6.886 11.500 ( 3.174 0.515 6.573) 7.318 12.008 ( 6.089 3.440 2.440) 7.406 12.233 ( -2.549 0.621 8.549) 8.943 12.361 ( -3.292 2.199 -2.178) 4.519 12.762 ( -4.278 -8.989 1.034) 10.008 13.304 ( -4.999 6.163 13.084) 15.303 13.366 ( -6.862 12.486 -15.299) 20.905 15.354 ( -2.351 -7.627 -0.238) 7.985 15.464 ( 1.002 -9.367 0.211) 9.423 20.874 ( 6.554 3.671 2.448) 7.901 21.061 ( 6.350 -2.836 -0.537) 6.975 21.310 ( -1.845 3.884 -2.602) 5.026 21.409 ( -1.679 -0.862 0.362) 1.922 21.508 ( 1.761 7.729 -0.923) 7.981 21.947 ( 0.949 -9.276 0.152) 9.326 22.178 ( -8.862 1.590 -0.251) 9.007 22.226 ( -4.377 -0.077 -0.203) 4.382 24.532 ( 7.946 19.678 0.364) 21.225 24.628 ( -2.433 5.052 0.608) 5.640 25.015 ( -0.012 -1.044 -1.988) 2.246 25.155 ( -4.141 0.113 2.091) 4.641 26.023 ( 7.532 -5.002 0.667) 9.066 26.247 ( 8.993 -15.722 -2.590) 18.297 ======================= Grid point 133 (53/117) ======================= q-point: ( 0.40 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( 9.831 -4.379 2.159) 10.976 1.914 ( 0.535 -4.414 -3.916) 5.924 2.091 ( 0.386 -2.415 3.819) 4.535 2.202 ( 6.216 0.662 -3.739) 7.284 2.251 ( 19.174 3.078 -0.442) 19.425 2.510 ( 5.748 -13.801 -6.156) 16.168 2.567 ( 2.593 -7.612 -0.026) 8.042 2.742 ( 0.843 5.820 2.005) 6.213 2.926 ( 1.956 -0.756 -1.581) 2.626 3.005 ( 13.616 2.291 4.957) 14.670 3.230 ( 6.576 1.749 3.034) 7.451 3.453 ( 1.951 -2.258 -1.193) 3.214 3.600 ( 3.382 -1.547 -2.848) 4.684 3.653 ( -0.733 -4.553 -6.105) 7.651 3.813 ( 7.101 5.333 2.026) 9.108 3.967 ( -0.856 -1.563 1.427) 2.283 4.133 ( 11.534 -3.469 -1.044) 12.089 4.188 ( 3.392 1.613 2.234) 4.370 4.203 ( 9.767 -1.567 10.363) 14.327 4.337 ( 9.043 -7.670 -1.267) 11.925 4.562 ( 3.161 -4.063 0.149) 5.150 4.657 ( 8.487 -2.883 -1.017) 9.021 4.975 ( -2.292 -1.071 -1.992) 3.220 5.291 ( 5.138 1.335 4.003) 6.648 5.451 ( -1.296 2.617 -3.890) 4.864 5.661 ( -5.478 9.205 0.127) 10.712 5.738 ( -0.161 2.418 -4.945) 5.507 6.186 ( -14.013 10.013 5.066) 17.952 6.416 ( 0.732 5.374 -1.303) 5.578 6.477 ( -2.838 -0.961 -6.053) 6.755 6.767 ( 8.218 -1.714 -2.347) 8.717 6.808 ( -5.390 -11.305 2.571) 12.786 6.960 ( 0.915 0.089 1.036) 1.385 7.231 ( 0.590 4.100 -2.459) 4.817 7.323 ( 2.356 0.479 5.609) 6.103 7.559 ( -3.151 9.592 6.050) 11.770 7.754 ( 3.320 -2.717 5.727) 7.156 8.086 ( -10.597 -4.375 -1.015) 11.509 8.236 ( -3.844 3.952 4.008) 6.816 8.426 ( -6.987 4.552 -4.861) 9.653 8.821 ( -2.138 -1.790 -5.331) 6.016 8.829 ( 2.217 0.584 -3.875) 4.502 9.322 ( -6.384 2.827 -2.031) 7.271 9.383 ( -4.222 6.638 2.995) 8.418 9.513 ( 1.922 -0.735 -5.551) 5.920 9.991 ( -0.996 -10.970 1.401) 11.103 10.371 ( 8.605 2.818 -1.437) 9.168 10.604 ( 2.844 -14.288 3.327) 14.943 11.232 ( 8.573 0.524 -3.643) 9.330 11.532 ( 1.635 -1.432 2.575) 3.370 11.961 ( -2.107 4.502 8.954) 10.241 12.215 ( -6.743 1.029 5.719) 8.901 12.322 ( 12.899 4.070 -7.273) 15.357 12.817 ( -2.733 2.624 -9.017) 9.781 13.104 ( -3.352 3.990 -8.039) 9.580 13.178 ( -2.170 6.108 12.521) 14.100 15.477 ( -3.267 -8.771 0.253) 9.363 15.651 ( -0.419 -10.492 -0.077) 10.500 20.884 ( 5.884 2.583 0.536) 6.449 21.146 ( 1.606 -1.674 2.280) 3.253 21.223 ( 1.202 4.083 -3.630) 5.594 21.383 ( 1.249 3.203 1.057) 3.596 21.440 ( -1.749 0.402 -0.692) 1.923 21.966 ( -6.368 4.440 0.023) 7.763 22.134 ( -2.245 -3.323 0.262) 4.019 22.215 ( -0.487 -1.360 -0.400) 1.499 24.278 ( 7.392 15.832 2.558) 17.659 24.554 ( -1.826 1.493 -2.562) 3.482 25.005 ( -1.823 2.987 -4.855) 5.985 25.082 ( -3.507 0.451 4.811) 5.970 26.202 ( 6.270 -6.484 0.398) 9.029 26.540 ( 2.476 -10.142 -0.344) 10.446 ======================= Grid point 134 (54/117) ======================= q-point: ( 0.50 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( 12.280 6.763 -1.461) 14.095 1.978 ( -2.055 -6.833 10.825) 12.966 2.129 ( -0.640 -0.059 0.425) 0.771 2.220 ( 1.989 0.436 -0.757) 2.173 2.370 ( 7.385 -5.296 -2.036) 9.313 2.509 ( 1.486 1.557 -2.555) 3.340 2.688 ( 4.353 2.798 -3.722) 6.374 2.912 ( 5.179 -8.653 2.233) 10.329 2.985 ( 7.112 -2.761 -7.772) 10.890 3.118 ( 13.607 3.090 1.700) 14.057 3.216 ( 0.185 3.941 2.532) 4.687 3.354 ( 3.537 7.148 0.438) 7.988 3.639 ( 4.652 4.181 -2.577) 6.765 3.752 ( 5.595 -1.076 -0.747) 5.746 3.813 ( 3.023 2.622 -1.457) 4.259 4.076 ( -2.294 -10.910 3.949) 11.828 4.111 ( 4.187 3.853 5.011) 7.582 4.198 ( 3.030 1.824 4.025) 5.358 4.409 ( -0.623 -0.638 -0.814) 1.207 4.553 ( 1.376 -8.579 -3.777) 9.475 4.644 ( 7.732 -8.365 -1.216) 11.456 4.831 ( 0.077 -0.317 -0.238) 0.404 5.023 ( 5.381 -3.819 0.339) 6.608 5.079 ( -5.306 12.614 5.071) 14.594 5.320 ( 1.591 10.506 -2.875) 11.007 5.586 ( 0.265 -1.723 -0.986) 2.003 5.783 ( -1.232 -5.891 -3.153) 6.795 5.884 ( -6.158 9.050 1.036) 10.996 6.191 ( -11.945 3.022 -3.774) 12.886 6.462 ( -3.502 1.522 -2.784) 4.726 6.711 ( -20.806 -1.946 1.123) 20.927 6.850 ( 1.139 6.515 2.522) 7.078 7.131 ( 9.375 1.079 1.058) 9.496 7.188 ( 13.557 3.896 1.285) 14.164 7.414 ( -1.800 2.720 0.309) 3.277 7.536 ( 15.564 -7.881 5.256) 18.220 7.863 ( 0.172 -3.087 3.088) 4.369 7.932 ( -5.199 5.597 1.850) 7.860 8.190 ( -6.598 0.744 -0.471) 6.657 8.308 ( -3.069 -0.859 2.817) 4.253 8.787 ( 0.220 1.473 -9.266) 9.385 8.853 ( 1.503 -0.870 -3.248) 3.683 9.247 ( -0.804 2.227 -0.977) 2.561 9.275 ( -8.943 -4.436 -1.322) 10.070 9.555 ( 4.102 -0.926 -2.413) 4.848 10.182 ( 0.305 -9.872 2.681) 10.235 10.328 ( -1.639 6.185 1.536) 6.580 10.782 ( -5.704 -8.471 -0.423) 10.221 11.318 ( 9.632 -0.104 -0.252) 9.636 11.619 ( 1.028 -4.844 3.355) 5.981 11.893 ( -2.344 2.982 8.827) 9.607 12.081 ( -4.836 6.299 -1.800) 8.142 12.414 ( 12.697 0.150 -2.226) 12.892 12.632 ( 0.727 9.242 -13.509) 16.384 12.992 ( -0.601 6.231 1.821) 6.520 13.170 ( -2.519 -1.824 5.358) 6.195 15.599 ( -2.106 -7.706 0.721) 8.021 15.815 ( -1.075 -8.455 -0.407) 8.533 20.900 ( 4.889 1.676 -0.330) 5.178 21.124 ( 0.414 4.186 -2.717) 5.008 21.215 ( 0.125 -1.905 2.544) 3.180 21.357 ( 2.609 2.122 1.418) 3.650 21.422 ( -3.039 -0.928 -0.264) 3.188 21.791 ( -7.533 6.152 -0.687) 9.750 22.162 ( 0.431 -0.720 0.212) 0.866 22.237 ( 0.555 -0.422 -0.206) 0.727 24.132 ( 6.480 9.153 2.649) 11.523 24.519 ( -0.420 0.290 -4.432) 4.462 24.873 ( -3.867 5.499 -0.232) 6.727 25.098 ( -1.725 -2.482 1.450) 3.352 26.366 ( 5.427 -4.932 0.138) 7.334 26.668 ( -1.824 -4.464 0.308) 4.833 ======================= Grid point 135 (55/117) ======================= q-point: (-0.40 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( 2.091 5.801 8.310) 10.348 2.090 ( -3.861 -0.853 -0.091) 3.955 2.140 ( 4.779 -5.204 4.798) 8.541 2.227 ( 2.101 1.877 -0.333) 2.837 2.425 ( 1.157 5.131 1.480) 5.464 2.543 ( 10.523 0.112 -8.897) 13.780 2.720 ( 5.272 1.950 -1.736) 5.883 3.023 ( 6.489 8.812 0.731) 10.968 3.066 ( 6.219 -2.069 -5.929) 8.838 3.137 ( -0.265 -6.029 1.285) 6.170 3.200 ( 5.133 -0.363 0.368) 5.159 3.305 ( 3.936 6.932 0.223) 7.975 3.582 ( 4.699 7.845 0.867) 9.186 3.723 ( 2.075 4.198 0.690) 4.733 3.813 ( -0.586 2.977 -0.196) 3.040 4.022 ( -5.374 5.189 3.025) 8.060 4.091 ( -7.463 5.578 2.198) 9.573 4.196 ( -2.551 1.510 -0.598) 3.025 4.462 ( 2.175 5.505 -3.106) 6.684 4.560 ( 5.598 -9.718 3.196) 11.661 4.765 ( 0.024 20.736 -4.919) 21.312 4.814 ( 1.555 -7.052 -0.546) 7.242 4.927 ( -1.306 -7.117 0.374) 7.246 5.112 ( -3.209 -3.304 1.406) 4.816 5.395 ( 4.636 -13.499 5.511) 15.300 5.482 ( 3.684 11.577 2.301) 12.365 5.858 ( 7.601 0.068 -6.012) 9.691 5.884 ( -7.256 -12.219 -0.740) 14.230 6.085 ( -11.210 -3.462 0.257) 11.735 6.344 ( -5.696 4.028 -5.801) 9.073 6.531 ( -14.556 3.042 -0.265) 14.873 6.644 ( -6.866 11.872 0.840) 13.740 7.117 ( 5.438 5.340 3.145) 8.245 7.233 ( 11.389 8.141 -0.026) 14.000 7.404 ( 2.119 1.028 3.964) 4.611 7.631 ( -10.616 5.323 1.969) 12.038 7.763 ( 4.213 0.104 -0.481) 4.241 8.102 ( 8.212 -5.320 -0.061) 9.784 8.151 ( -0.245 -5.216 3.131) 6.088 8.388 ( 0.695 -5.758 7.209) 9.252 8.741 ( 2.360 1.595 -9.859) 10.262 8.860 ( 2.727 1.189 -5.472) 6.228 9.208 ( 1.202 0.721 1.390) 1.974 9.364 ( -8.124 -12.984 -4.327) 15.916 9.601 ( 5.569 0.879 -0.459) 5.656 10.147 ( -11.005 4.727 -1.282) 12.046 10.368 ( 7.656 -4.327 5.214) 10.224 10.842 ( -9.918 -7.342 -0.760) 12.363 11.411 ( 7.256 0.226 2.843) 7.796 11.677 ( -1.170 -0.047 0.403) 1.238 11.840 ( -3.919 1.559 2.422) 4.864 11.955 ( 0.376 3.911 5.521) 6.776 12.461 ( 5.246 8.617 -11.492) 15.292 12.548 ( 4.735 -5.139 -4.534) 8.330 12.907 ( 5.500 6.358 3.443) 9.084 13.150 ( -6.188 0.660 2.824) 6.834 15.714 ( 0.022 -5.899 1.044) 5.991 15.926 ( -1.339 -5.341 -0.793) 5.563 20.917 ( 4.593 1.972 -0.148) 5.001 21.042 ( 0.017 3.873 -1.819) 4.279 21.269 ( -0.841 -3.474 2.383) 4.295 21.354 ( 0.773 0.902 2.128) 2.438 21.412 ( -2.977 -1.471 -0.172) 3.325 21.610 ( -5.361 6.031 -1.846) 8.278 22.174 ( 1.393 0.331 -0.099) 1.436 22.234 ( -0.422 0.523 -0.214) 0.705 24.086 ( 6.398 4.149 2.413) 7.998 24.496 ( -1.483 0.008 -8.236) 8.369 24.771 ( -1.691 2.730 5.561) 6.422 25.128 ( -1.708 -2.452 -0.171) 2.993 26.479 ( 5.028 -1.620 -0.294) 5.291 26.690 ( -4.145 -1.694 0.455) 4.501 ======================= Grid point 136 (56/117) ======================= q-point: (-0.30 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( -0.913 -0.538 13.088) 13.131 2.088 ( -0.598 -0.751 0.803) 1.251 2.186 ( 0.587 3.044 0.758) 3.192 2.263 ( 0.376 -1.871 -3.310) 3.820 2.344 ( 3.840 4.242 3.645) 6.784 2.557 ( -1.597 5.270 -0.693) 5.550 2.718 ( 12.784 3.132 -6.500) 14.679 2.912 ( 5.920 6.894 -4.341) 10.071 2.990 ( 0.003 15.168 -1.008) 15.201 3.129 ( 1.926 16.953 -4.406) 17.622 3.217 ( 4.558 2.115 -0.768) 5.083 3.265 ( 6.046 -2.098 0.915) 6.465 3.514 ( -5.109 6.792 -0.549) 8.517 3.616 ( -11.001 2.046 0.676) 11.210 3.719 ( 0.628 -1.055 1.345) 1.821 3.828 ( -5.013 10.790 1.870) 12.044 3.994 ( -1.135 -3.769 5.305) 6.606 4.187 ( -0.675 3.487 4.534) 5.759 4.389 ( -0.421 9.492 -6.768) 11.666 4.438 ( -1.389 2.615 -4.181) 5.123 4.812 ( 1.039 -9.792 4.934) 11.014 4.914 ( 1.433 0.481 2.297) 2.750 4.952 ( -2.713 -3.796 0.398) 4.683 5.069 ( -0.187 9.886 -1.328) 9.977 5.493 ( 9.142 -9.098 2.552) 13.148 5.692 ( -0.578 -7.230 6.955) 10.049 5.860 ( 6.406 5.859 -4.363) 9.716 6.024 ( -4.110 -7.715 -4.773) 9.960 6.073 ( -6.752 -5.167 1.202) 8.587 6.202 ( -6.227 3.523 -3.392) 7.918 6.289 ( -3.675 10.802 -1.422) 11.498 6.397 ( -5.435 5.045 -1.555) 7.577 7.050 ( 0.413 4.692 -2.503) 5.334 7.171 ( -1.984 2.940 -3.331) 4.866 7.405 ( 4.593 -0.048 5.363) 7.061 7.569 ( -2.100 -1.779 5.260) 5.936 7.768 ( 1.811 0.500 2.676) 3.270 8.181 ( 3.963 0.563 -6.061) 7.264 8.322 ( -0.862 -8.986 8.439) 12.357 8.493 ( -0.792 -1.938 7.319) 7.613 8.726 ( 3.330 0.900 -7.905) 8.625 8.852 ( 4.913 1.523 -6.644) 8.402 9.261 ( 1.344 -4.226 0.883) 4.522 9.477 ( -9.185 -8.017 -1.458) 12.279 9.660 ( 9.143 -1.157 -0.667) 9.240 9.966 ( -9.999 2.635 -3.794) 11.015 10.509 ( 8.180 0.116 6.732) 10.595 10.836 ( -7.436 -2.195 -3.860) 8.661 11.417 ( 1.649 4.998 2.035) 5.643 11.663 ( -0.746 -0.581 -7.508) 7.567 11.774 ( -4.938 1.216 7.822) 9.330 11.980 ( 5.041 -0.885 10.898) 12.040 12.334 ( 2.529 6.565 -8.962) 11.393 12.677 ( 0.345 -7.268 -7.351) 10.343 12.903 ( 10.451 3.822 2.934) 11.508 13.054 ( -9.379 1.081 2.413) 9.744 15.810 ( 1.680 -3.279 1.400) 3.941 15.975 ( -1.489 -2.087 -1.373) 2.908 20.891 ( 0.578 4.441 2.604) 5.181 21.004 ( 4.128 2.007 -3.444) 5.738 21.295 ( -6.908 -1.862 3.840) 8.120 21.372 ( 2.842 -1.260 0.344) 3.128 21.411 ( -1.936 -0.858 -0.590) 2.198 21.483 ( -1.993 2.664 -1.355) 3.593 22.184 ( 1.815 0.030 -0.463) 1.874 22.217 ( -1.530 -0.033 -0.396) 1.581 24.112 ( 4.984 0.511 2.366) 5.540 24.439 ( -3.673 0.110 -10.390) 11.020 24.786 ( 2.662 -1.376 9.544) 10.004 25.149 ( -1.961 -2.170 -1.614) 3.341 26.511 ( 4.096 3.560 0.272) 5.434 26.663 ( -4.450 -0.432 -0.778) 4.539 ======================= Grid point 137 (57/117) ======================= q-point: (-0.20 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( -11.667 4.013 12.913) 17.860 2.087 ( 1.300 4.229 0.936) 4.522 2.121 ( -1.049 6.430 2.531) 6.989 2.173 ( 6.082 9.046 2.669) 11.223 2.364 ( -1.383 4.536 -3.622) 5.967 2.434 ( -0.242 2.003 -1.708) 2.643 2.593 ( -3.248 17.456 -0.101) 17.756 2.751 ( 8.010 6.070 -7.333) 12.441 2.828 ( 6.242 15.808 -1.132) 17.034 2.918 ( 4.935 1.961 -6.255) 8.205 3.110 ( -14.683 4.713 2.966) 15.704 3.317 ( 2.187 -0.617 -0.734) 2.389 3.337 ( 5.496 1.455 2.688) 6.288 3.614 ( 0.376 -0.223 -9.463) 9.473 3.682 ( -4.296 -0.668 2.694) 5.114 3.781 ( 1.068 -1.895 -0.497) 2.231 3.989 ( -7.939 6.519 6.941) 12.397 4.008 ( 0.956 12.582 11.095) 16.802 4.221 ( 4.451 9.824 -2.617) 11.098 4.484 ( 0.751 -8.340 -9.840) 12.921 4.742 ( -1.409 16.589 1.826) 16.748 4.875 ( 5.966 12.735 -2.552) 14.293 4.977 ( -3.370 -5.729 6.048) 8.986 5.083 ( 2.056 -4.846 -0.509) 5.289 5.606 ( -3.910 0.954 1.784) 4.403 5.732 ( -0.135 1.224 -3.853) 4.045 5.892 ( 1.035 -7.080 3.862) 8.131 5.976 ( -2.166 3.069 5.893) 6.988 6.094 ( -0.795 1.404 1.146) 1.979 6.153 ( 4.152 -0.535 -3.698) 5.586 6.182 ( 1.516 -2.904 -1.567) 3.631 6.424 ( -1.452 -10.013 -2.780) 10.492 6.988 ( -2.213 -0.191 -4.047) 4.616 7.159 ( -1.774 -5.721 -9.791) 11.478 7.517 ( 0.471 -5.888 3.246) 6.740 7.588 ( 1.147 -0.281 0.209) 1.199 7.805 ( 0.197 -0.859 10.978) 11.013 8.129 ( 1.876 7.018 -4.444) 8.516 8.490 ( -5.420 -8.708 6.203) 11.987 8.509 ( -2.297 -4.437 6.575) 8.258 8.727 ( 4.960 1.559 -6.492) 8.317 8.871 ( 3.753 0.502 -1.746) 4.170 9.349 ( -2.368 -3.904 1.086) 4.694 9.484 ( -2.479 -2.318 0.877) 3.506 9.794 ( -2.152 -4.403 -2.331) 5.427 9.832 ( 4.960 4.236 -5.477) 8.517 10.517 ( -4.600 3.997 6.008) 8.557 10.761 ( 4.872 7.680 -4.063) 9.961 11.337 ( 0.830 4.696 -0.549) 4.800 11.567 ( -2.404 3.875 -10.026) 11.015 11.778 ( -4.326 -1.310 9.305) 10.345 12.107 ( 7.087 0.223 4.642) 8.475 12.267 ( 3.359 -0.678 4.403) 5.579 12.738 ( -8.484 -6.145 -9.541) 14.170 12.976 ( 5.485 -0.550 2.597) 6.094 13.009 ( -1.936 -4.733 0.183) 5.117 15.863 ( 1.329 -0.121 1.770) 2.216 15.962 ( -1.302 1.444 -2.184) 2.924 20.808 ( -2.198 4.581 3.598) 6.226 20.977 ( 3.234 4.886 -3.298) 6.724 21.299 ( 1.339 -3.025 2.298) 4.028 21.387 ( -0.938 0.642 -1.664) 2.016 21.428 ( 1.058 -1.565 1.093) 2.183 21.465 ( -2.643 -2.099 0.499) 3.412 22.212 ( -1.722 -1.975 -0.599) 2.688 22.214 ( 1.434 -1.427 -0.571) 2.102 24.154 ( -1.534 -1.577 2.485) 3.319 24.391 ( 0.428 -0.214 -8.987) 8.999 24.907 ( 4.341 -4.969 9.295) 11.399 25.157 ( -2.456 -1.772 -2.632) 4.013 26.429 ( 1.069 8.675 2.655) 9.135 26.610 ( -1.429 2.685 -4.544) 5.469 ======================= Grid point 138 (58/117) ======================= q-point: (-0.10 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( -7.904 15.930 8.979) 19.921 1.779 ( -9.124 25.867 5.383) 27.952 1.989 ( -3.506 4.389 3.328) 6.529 2.078 ( -4.642 7.959 2.458) 9.536 2.133 ( 12.951 13.902 -3.046) 19.243 2.428 ( 8.276 2.017 -3.113) 9.069 2.513 ( -0.194 -1.808 0.494) 1.885 2.651 ( 3.251 3.356 -6.643) 8.121 2.687 ( -2.061 4.895 -3.701) 6.473 2.972 ( 3.062 -4.960 0.771) 5.880 3.065 ( 3.576 -1.676 -7.904) 8.835 3.229 ( 5.125 18.115 6.754) 20.001 3.362 ( -1.274 -1.537 4.371) 4.805 3.582 ( 4.390 2.181 -4.917) 6.943 3.680 ( -2.423 4.419 8.225) 9.647 3.740 ( 1.777 12.949 1.127) 13.119 3.856 ( -1.891 -3.592 2.043) 4.545 3.868 ( 1.880 2.156 1.046) 3.046 4.060 ( 8.218 18.123 -4.504) 20.403 4.390 ( -4.167 10.761 2.808) 11.876 4.581 ( 1.924 3.258 -8.892) 9.663 4.784 ( 4.400 -1.177 -1.716) 4.867 4.997 ( -3.476 -0.574 1.772) 3.943 5.102 ( 1.910 2.598 1.128) 3.416 5.608 ( -2.509 -1.074 -0.789) 2.841 5.643 ( -0.938 8.093 -0.382) 8.156 5.919 ( -4.287 -0.392 3.365) 5.464 5.950 ( 3.024 -2.281 2.937) 4.793 6.129 ( 8.820 0.094 -4.621) 9.958 6.308 ( 5.623 -9.493 -3.680) 11.631 6.460 ( 6.338 -20.148 11.803) 24.196 6.591 ( -3.847 -9.925 2.702) 10.982 6.992 ( -3.160 -4.694 -5.801) 8.104 7.210 ( -4.254 -4.562 -15.073) 16.313 7.543 ( -7.027 -2.464 -1.959) 7.700 7.648 ( 3.024 -0.473 1.184) 3.281 7.842 ( -5.974 -2.673 7.116) 9.668 8.009 ( 1.764 4.068 3.603) 5.713 8.560 ( -4.538 -6.965 -1.333) 8.419 8.656 ( -4.136 -8.286 6.553) 11.345 8.734 ( 6.900 2.572 -3.833) 8.302 8.879 ( 2.498 2.431 3.730) 5.105 9.312 ( -5.550 1.910 -1.912) 6.173 9.578 ( 9.475 -1.803 5.521) 11.114 9.691 ( -8.300 0.511 -6.540) 10.579 9.921 ( 11.191 2.213 -2.468) 11.671 10.319 ( -15.280 6.459 3.223) 16.899 10.619 ( 9.263 16.011 -0.130) 18.498 11.255 ( -1.070 3.976 -1.990) 4.573 11.507 ( 5.964 1.858 -10.821) 12.495 11.739 ( -6.124 1.324 6.862) 9.292 12.091 ( 3.690 3.637 -3.703) 6.369 12.461 ( 0.475 -9.153 16.656) 19.011 12.748 ( -5.643 -8.154 -3.956) 10.677 13.086 ( 2.718 -6.612 -0.345) 7.157 13.108 ( -2.155 -7.786 -4.043) 9.034 15.824 ( -2.915 4.588 -0.451) 5.454 15.894 ( -0.087 4.928 -0.694) 4.977 20.703 ( -3.045 4.602 2.031) 5.880 20.911 ( 5.468 5.594 -0.808) 7.864 21.368 ( -2.221 -1.062 -0.525) 2.517 21.408 ( 0.339 -1.954 -0.534) 2.054 21.478 ( -0.352 -0.724 0.422) 0.909 21.503 ( 7.953 -6.632 3.150) 10.823 22.239 ( -2.823 -3.937 -0.847) 4.918 22.270 ( 0.709 -3.131 -0.202) 3.217 24.126 ( -9.250 -0.918 1.683) 9.447 24.421 ( 7.399 -0.482 -5.412) 9.180 25.079 ( 1.903 -7.196 6.332) 9.772 25.150 ( -2.662 -1.298 -2.651) 3.975 26.249 ( -0.559 12.098 3.479) 12.601 26.503 ( 2.987 8.294 -7.991) 11.899 ======================= Grid point 142 (59/117) ======================= q-point: ( 0.30 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( -14.237 -0.000 -8.832) 16.754 1.832 ( 18.591 0.000 -16.923) 25.140 1.973 ( 7.505 0.000 -2.369) 7.870 2.042 ( 15.453 0.000 -0.328) 15.457 2.248 ( 11.363 0.000 1.233) 11.429 2.322 ( 12.790 0.000 7.265) 14.709 2.686 ( 6.146 0.000 2.271) 6.552 2.749 ( 6.651 0.000 1.383) 6.794 2.900 ( -10.447 -0.000 15.608) 18.781 2.928 ( -0.361 -0.000 3.556) 3.574 3.226 ( 11.401 0.000 4.121) 12.123 3.453 ( 9.368 0.000 -3.203) 9.900 3.647 ( -0.730 -0.000 -4.617) 4.674 3.705 ( 7.394 0.000 2.913) 7.947 3.731 ( 4.163 0.000 -10.547) 11.339 3.899 ( -6.435 -0.000 4.684) 7.959 4.041 ( 3.279 0.000 0.550) 3.325 4.054 ( 19.424 0.000 -6.417) 20.457 4.270 ( 32.731 0.000 -11.932) 34.838 4.397 ( -0.414 -0.000 5.422) 5.438 4.435 ( 1.037 0.000 -4.091) 4.220 4.762 ( 3.859 0.000 9.635) 10.380 5.008 ( -1.217 -0.000 18.972) 19.011 5.045 ( 7.629 0.000 -2.747) 8.109 5.653 ( 5.878 0.000 -8.642) 10.451 5.785 ( 3.104 0.000 -13.504) 13.856 5.983 ( -1.169 -0.000 -1.172) 1.655 6.211 ( 7.369 0.000 1.175) 7.462 6.260 ( -11.078 -0.000 9.914) 14.866 6.534 ( 1.914 0.000 -1.973) 2.749 6.611 ( -0.112 -0.000 4.332) 4.333 6.754 ( -7.986 -0.000 2.804) 8.464 7.102 ( -15.757 -0.000 -8.874) 18.084 7.220 ( -7.625 -0.000 1.004) 7.691 7.419 ( -8.748 -0.000 -5.647) 10.412 7.634 ( 4.170 0.000 1.672) 4.493 7.802 ( -0.502 -0.000 9.262) 9.276 7.855 ( -10.626 -0.000 7.735) 13.143 8.369 ( -6.125 -0.000 4.459) 7.576 8.580 ( -10.707 -0.000 -1.529) 10.815 8.709 ( -1.249 -0.000 -5.437) 5.579 8.881 ( 2.437 0.000 -8.109) 8.467 9.407 ( -4.614 -0.000 -1.582) 4.877 9.557 ( 0.770 0.000 -4.377) 4.444 9.627 ( -4.795 -0.000 -0.687) 4.844 9.809 ( -1.121 -0.000 5.677) 5.787 10.064 ( 14.624 0.000 4.506) 15.302 10.505 ( 18.107 0.000 -15.812) 24.039 11.266 ( 10.095 0.000 -5.357) 11.428 11.588 ( 4.986 0.000 11.332) 12.380 12.102 ( -13.429 -0.000 12.010) 18.016 12.126 ( 3.898 0.000 -0.154) 3.901 12.431 ( 4.826 0.000 -2.563) 5.464 12.638 ( 0.445 0.000 1.054) 1.145 13.328 ( -7.578 -0.000 12.900) 14.961 13.354 ( -9.283 -0.000 -16.626) 19.042 15.276 ( -0.471 -0.000 0.779) 0.910 15.391 ( 2.233 0.000 -0.703) 2.341 20.961 ( 1.196 0.000 6.791) 6.895 21.107 ( 9.361 0.000 -5.137) 10.678 21.335 ( -1.404 -0.000 -1.584) 2.116 21.368 ( -1.442 -0.000 -0.088) 1.445 21.677 ( 3.124 0.000 -1.987) 3.702 21.807 ( 2.616 0.000 1.082) 2.831 22.114 ( -8.167 -0.000 -1.022) 8.231 22.155 ( -6.598 -0.000 0.373) 6.609 24.589 ( -3.894 -0.000 -1.843) 4.308 24.833 ( -3.967 -0.000 5.154) 6.504 25.000 ( -2.080 -0.000 -5.257) 5.654 25.135 ( 4.054 0.000 3.600) 5.422 26.089 ( 7.958 0.000 4.988) 9.392 26.154 ( 11.031 0.000 -6.136) 12.623 ======================= Grid point 143 (60/117) ======================= q-point: ( 0.40 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( -13.050 -11.367 -1.775) 17.397 2.017 ( 10.276 -0.563 -13.066) 16.632 2.084 ( 7.038 -2.374 3.296) 8.126 2.203 ( 8.105 -12.044 -1.679) 14.614 2.397 ( 16.793 2.064 3.468) 17.271 2.451 ( 5.509 -1.920 1.599) 6.049 2.646 ( 5.075 8.337 2.654) 10.115 2.770 ( -5.977 0.198 4.252) 7.338 2.925 ( 5.312 -1.877 -1.413) 5.809 3.093 ( 6.932 -13.734 10.371) 18.554 3.272 ( 7.846 1.815 -0.378) 8.062 3.463 ( 0.931 8.513 -1.309) 8.663 3.558 ( 0.158 -2.434 -5.079) 5.635 3.675 ( 2.255 3.737 -6.082) 7.486 3.887 ( 1.167 -1.685 -0.088) 2.052 3.913 ( 1.677 -4.905 2.737) 5.862 4.151 ( -1.374 -10.112 -0.408) 10.213 4.231 ( 8.658 -0.180 -4.599) 9.805 4.304 ( 10.837 5.981 1.384) 12.455 4.443 ( 7.439 4.937 3.243) 9.498 4.586 ( 9.057 0.148 1.418) 9.169 4.792 ( 21.467 -0.287 1.703) 21.536 5.018 ( 4.359 4.918 -4.754) 8.111 5.223 ( -0.611 -9.610 14.384) 17.310 5.554 ( 4.132 8.296 -7.337) 11.820 5.755 ( -4.363 0.711 -4.944) 6.632 5.834 ( -3.949 13.696 -2.744) 14.516 6.157 ( -11.123 2.241 4.752) 12.302 6.394 ( -4.565 -3.850 -3.891) 7.127 6.548 ( -0.858 2.568 0.042) 2.708 6.568 ( -1.576 -4.259 -0.753) 4.603 6.776 ( 6.951 -6.585 -1.996) 9.780 6.924 ( -7.661 1.137 -1.615) 7.911 7.221 ( -2.300 -5.035 4.605) 7.200 7.288 ( -6.328 0.159 -3.868) 7.418 7.713 ( -0.317 -4.776 0.353) 4.799 7.746 ( 0.445 9.069 9.326) 13.016 7.879 ( -5.435 -6.487 11.287) 14.107 8.285 ( -6.274 3.346 2.857) 7.663 8.411 ( -9.812 4.054 -3.820) 11.283 8.729 ( -1.797 -3.649 -3.424) 5.317 8.857 ( 1.823 1.992 -8.341) 8.767 9.309 ( -5.330 3.744 -7.334) 9.808 9.495 ( 0.223 2.062 -4.612) 5.057 9.591 ( 0.504 9.318 2.794) 9.741 9.788 ( -0.990 -7.552 6.386) 9.940 10.412 ( 9.122 -14.449 2.767) 17.310 10.553 ( 9.700 6.067 -6.413) 13.116 11.355 ( 13.597 1.580 -6.032) 14.958 11.594 ( 2.495 5.023 5.858) 8.110 11.997 ( -9.764 1.721 10.271) 14.275 12.160 ( -3.564 -2.370 2.453) 4.933 12.460 ( 7.815 1.566 -5.020) 9.419 12.748 ( 5.014 -5.802 0.186) 7.670 13.148 ( -6.803 7.157 -14.854) 17.837 13.248 ( -7.819 3.034 11.809) 14.485 15.321 ( -1.307 -5.228 1.524) 5.600 15.485 ( 1.241 -7.638 -1.292) 7.845 20.967 ( 0.945 1.512 4.563) 4.899 21.178 ( 6.521 0.620 -2.071) 6.870 21.293 ( 1.177 2.828 -2.314) 3.839 21.370 ( -2.256 -1.315 -0.210) 2.620 21.560 ( 3.723 9.183 -0.475) 9.920 21.960 ( -3.202 0.176 0.221) 3.214 22.005 ( -4.734 -5.609 -0.361) 7.349 22.146 ( -3.390 -3.812 -0.423) 5.119 24.540 ( -2.461 0.832 -2.228) 3.422 24.635 ( -1.095 14.768 3.818) 15.292 24.994 ( 0.170 -1.060 -3.155) 3.333 25.124 ( -0.933 4.824 2.256) 5.407 26.184 ( 7.446 -3.118 1.411) 8.195 26.373 ( 4.468 -10.722 -1.288) 11.687 ======================= Grid point 144 (61/117) ======================= q-point: ( 0.50 0.30 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( -11.162 -19.337 6.495) 23.253 2.038 ( 4.570 0.814 -11.856) 12.733 2.194 ( 5.855 -0.950 7.186) 9.318 2.307 ( 5.068 8.362 6.752) 11.883 2.508 ( 5.398 -1.329 -2.481) 6.088 2.525 ( 0.659 7.485 4.024) 8.523 2.630 ( -0.507 -10.309 3.306) 10.838 2.817 ( 7.012 -5.583 -2.830) 9.399 3.029 ( 11.899 -0.083 -4.726) 12.803 3.256 ( 6.364 0.814 0.294) 6.422 3.339 ( 2.852 5.311 -1.617) 6.241 3.458 ( -3.078 1.158 -1.683) 3.694 3.638 ( 7.554 -11.578 -3.767) 14.329 3.682 ( 5.855 -5.875 0.140) 8.296 3.906 ( 1.112 0.413 2.580) 2.839 4.016 ( 4.698 -1.970 -1.324) 5.263 4.140 ( -5.214 -0.098 0.271) 5.222 4.326 ( 5.250 5.787 1.550) 7.966 4.350 ( -2.741 -6.240 1.953) 7.090 4.413 ( 4.137 3.239 0.573) 5.285 4.670 ( 6.593 -2.993 1.592) 7.413 4.861 ( 1.366 5.901 -1.811) 6.322 5.122 ( 21.379 1.168 0.610) 21.419 5.310 ( -5.100 6.565 5.963) 10.231 5.449 ( -4.018 10.733 -3.727) 12.052 5.548 ( 6.726 -1.666 -1.540) 7.098 5.711 ( -4.327 0.043 -1.686) 4.644 5.992 ( -6.545 7.203 1.163) 9.802 6.133 ( -13.623 7.927 -7.002) 17.247 6.452 ( -16.748 -3.053 1.701) 17.109 6.542 ( -3.003 10.060 -0.834) 10.532 6.942 ( 0.956 2.354 -5.464) 6.026 7.096 ( 13.340 -16.228 -3.354) 21.273 7.296 ( 5.613 -4.508 5.616) 9.131 7.445 ( 3.261 -13.813 4.015) 14.750 7.572 ( 0.035 11.145 10.514) 15.322 7.784 ( -1.886 -3.918 -1.141) 4.495 7.980 ( -1.605 -2.692 8.598) 9.152 8.116 ( -8.020 4.542 -0.119) 9.218 8.290 ( -4.165 1.457 0.396) 4.430 8.747 ( -1.197 -1.467 -7.973) 8.195 8.833 ( -0.174 -0.663 -4.104) 4.160 9.157 ( -4.137 4.160 -6.842) 9.013 9.380 ( 0.100 7.334 -3.781) 8.252 9.577 ( 5.832 -1.817 0.955) 6.183 9.956 ( -4.029 -10.704 4.214) 12.189 10.477 ( 2.408 7.545 1.677) 8.095 10.647 ( 1.469 -4.680 -0.129) 4.907 11.447 ( 13.268 1.810 -2.842) 13.689 11.575 ( 0.805 -0.865 3.951) 4.124 11.904 ( -8.254 1.191 7.654) 11.319 12.132 ( -2.974 2.593 1.206) 4.126 12.486 ( 4.551 1.202 -6.291) 7.857 12.817 ( 7.356 8.060 -8.360) 13.746 12.992 ( -2.874 -1.873 -3.833) 5.144 13.164 ( -5.349 1.460 9.479) 10.982 15.433 ( -1.825 -8.093 2.743) 8.738 15.645 ( 0.227 -9.252 -2.220) 9.517 20.963 ( 1.352 1.180 3.079) 3.564 21.205 ( 3.814 2.411 -0.201) 4.517 21.238 ( 1.724 3.376 -2.834) 4.734 21.363 ( -3.075 -1.014 -0.215) 3.245 21.469 ( 4.286 5.607 0.531) 7.078 21.799 ( -8.883 4.717 -0.718) 10.083 22.121 ( 0.038 -4.491 0.497) 4.519 22.200 ( -0.577 -3.681 -0.852) 3.822 24.394 ( 2.245 12.742 3.041) 13.291 24.509 ( -0.716 0.361 -2.730) 2.845 24.960 ( -0.363 6.505 -1.678) 6.728 25.045 ( -2.296 -0.857 1.480) 2.863 26.337 ( 6.383 -5.135 0.952) 8.247 26.546 ( -1.461 -6.918 -0.426) 7.083 ======================= Grid point 145 (62/117) ======================= q-point: ( 0.60 0.30 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( -10.338 -8.005 10.484) 16.760 2.023 ( -1.454 -0.685 -7.898) 8.060 2.238 ( 4.549 4.470 8.998) 11.029 2.243 ( 0.809 1.787 1.922) 2.746 2.459 ( 0.206 1.507 4.814) 5.048 2.654 ( 14.507 -4.215 -7.314) 16.784 2.735 ( 2.602 -3.629 0.658) 4.513 2.955 ( -0.075 -4.763 3.149) 5.710 3.098 ( 6.680 0.769 -5.771) 8.861 3.214 ( -1.347 8.105 0.181) 8.219 3.331 ( 6.335 3.271 -2.094) 7.431 3.363 ( -0.325 0.761 -1.929) 2.099 3.733 ( -1.431 -1.285 -2.724) 3.334 3.845 ( -2.446 6.757 -1.565) 7.354 3.914 ( 9.183 2.982 4.076) 10.480 4.069 ( 4.903 -1.069 0.110) 5.019 4.121 ( -0.794 8.778 0.957) 8.865 4.243 ( -5.098 8.559 1.108) 10.023 4.367 ( -1.498 -17.258 1.136) 17.360 4.533 ( 1.104 -9.643 -9.014) 13.246 4.799 ( 7.304 0.709 0.119) 7.339 4.814 ( 1.794 0.143 2.540) 3.113 5.016 ( -3.210 9.467 2.698) 10.354 5.153 ( -2.114 8.976 0.482) 9.235 5.356 ( 7.123 5.982 2.215) 9.562 5.633 ( -9.566 -1.101 1.411) 9.732 5.699 ( 7.281 -1.285 1.997) 7.659 5.868 ( -5.438 -1.817 -3.205) 6.568 5.940 ( 1.476 1.484 -2.700) 3.416 6.260 ( -16.576 0.534 -2.386) 16.755 6.457 ( -0.474 0.856 0.568) 1.132 6.786 ( -5.171 9.355 -8.413) 13.603 7.337 ( 6.918 8.086 7.853) 13.226 7.435 ( 1.710 0.761 9.525) 9.707 7.459 ( 10.349 -1.566 0.310) 10.471 7.689 ( -6.500 8.875 -0.210) 11.002 7.723 ( -0.073 -6.598 -1.789) 6.837 8.022 ( 1.049 -6.997 0.105) 7.076 8.079 ( -2.660 -2.700 4.006) 5.515 8.309 ( 1.315 -4.871 6.454) 8.192 8.736 ( -0.272 -1.258 -9.807) 9.891 8.843 ( -0.318 -2.194 -5.986) 6.383 9.110 ( -2.524 -4.908 -3.465) 6.517 9.268 ( -0.088 3.869 -2.708) 4.724 9.694 ( 10.967 -0.569 -0.874) 11.016 10.027 ( -12.236 -2.885 -0.626) 12.587 10.422 ( 4.515 0.501 7.652) 8.899 10.673 ( -3.226 -1.899 -0.061) 3.744 11.521 ( 8.424 2.478 0.546) 8.798 11.640 ( -0.006 -3.227 2.797) 4.270 11.820 ( -6.589 1.396 2.401) 7.150 12.049 ( -1.227 3.703 4.862) 6.234 12.474 ( 0.024 0.496 -8.613) 8.627 12.678 ( 5.324 8.455 -10.013) 14.146 13.027 ( 3.678 0.745 2.875) 4.727 13.122 ( -4.576 1.062 4.766) 6.692 15.580 ( -0.958 -8.566 3.588) 9.337 15.794 ( -0.196 -7.798 -2.976) 8.349 20.973 ( 1.647 0.352 2.496) 3.011 21.125 ( 0.391 5.519 -1.704) 5.789 21.255 ( 3.706 -0.227 -0.182) 3.718 21.349 ( -3.629 -1.434 -0.569) 3.943 21.420 ( 2.112 4.388 2.182) 5.337 21.640 ( -5.604 4.142 -2.314) 7.343 22.177 ( 0.704 -1.535 0.265) 1.709 22.232 ( -0.505 -0.559 -0.677) 1.013 24.245 ( 2.066 7.448 3.499) 8.484 24.483 ( 0.417 1.583 -6.503) 6.706 24.840 ( -0.546 4.791 4.633) 6.686 25.063 ( -1.634 -2.377 -1.535) 3.268 26.483 ( 5.338 -4.034 0.709) 6.728 26.603 ( -4.082 -3.167 -0.349) 5.179 ======================= Grid point 146 (63/117) ======================= q-point: (-0.30 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( -7.896 0.331 13.004) 15.217 2.042 ( 0.911 -3.964 0.576) 4.108 2.210 ( -1.195 1.253 -0.472) 1.795 2.241 ( 0.883 0.780 2.203) 2.498 2.450 ( -0.364 1.502 4.100) 4.382 2.673 ( 2.600 7.370 -6.266) 10.017 2.898 ( 11.555 -0.137 -6.319) 13.171 2.995 ( -0.026 2.166 -4.354) 4.863 3.094 ( -2.281 3.004 2.171) 4.352 3.159 ( -1.825 -2.980 -0.920) 3.614 3.271 ( 1.536 4.438 -4.022) 6.183 3.347 ( 0.129 0.063 -3.040) 3.044 3.613 ( -9.395 -0.547 7.628) 12.114 3.736 ( -2.292 8.859 -1.144) 9.222 3.775 ( 0.717 17.140 3.339) 17.477 3.985 ( 1.303 2.409 0.501) 2.784 4.023 ( 4.660 10.640 1.084) 11.666 4.163 ( -1.574 -1.616 1.649) 2.794 4.488 ( 2.306 3.207 -1.007) 4.076 4.632 ( -2.570 7.897 -5.451) 9.934 4.841 ( -0.502 -4.776 -0.017) 4.803 4.853 ( 5.343 6.961 -0.768) 8.808 4.915 ( 0.325 2.174 0.249) 2.213 4.965 ( -0.885 -10.515 -1.429) 10.649 5.490 ( -6.358 -11.983 9.423) 16.517 5.563 ( 1.073 1.536 3.461) 3.936 5.801 ( 0.900 -4.651 -1.303) 4.913 5.892 ( -0.582 -6.931 3.453) 7.765 6.036 ( 10.050 -0.382 -6.631) 12.047 6.148 ( -5.281 -0.599 -4.284) 6.826 6.439 ( 0.874 2.114 -1.765) 2.890 6.485 ( -5.458 13.884 -4.959) 15.721 7.179 ( -2.524 9.841 3.461) 10.733 7.341 ( 0.048 16.287 -2.178) 16.432 7.494 ( 3.471 2.965 6.575) 8.004 7.569 ( 3.303 0.232 5.434) 6.363 7.787 ( 0.222 -2.569 1.047) 2.783 8.110 ( -2.170 -5.052 -7.460) 9.267 8.176 ( -4.013 -6.948 8.583) 11.749 8.451 ( 1.281 -4.907 5.257) 7.305 8.744 ( 1.026 -0.968 -6.285) 6.441 8.874 ( 1.798 -2.036 -7.901) 8.355 9.171 ( -4.986 -3.578 -1.494) 6.316 9.285 ( 2.495 -6.766 -3.058) 7.833 9.754 ( 2.726 3.990 2.129) 5.281 9.921 ( -0.411 0.190 -5.462) 5.481 10.509 ( -5.873 -3.508 8.869) 11.201 10.742 ( 7.585 -5.212 -1.332) 9.299 11.513 ( 0.202 3.790 2.144) 4.359 11.649 ( -0.958 1.328 -5.016) 5.277 11.767 ( -3.305 0.134 8.080) 8.731 12.036 ( 1.669 -0.271 8.729) 8.891 12.411 ( -0.744 3.047 -11.441) 11.863 12.604 ( 1.721 1.409 -8.456) 8.743 13.002 ( -7.427 3.120 4.178) 9.075 13.080 ( 6.620 3.311 2.127) 7.702 15.728 ( -0.073 -7.054 3.579) 7.910 15.899 ( -0.070 -4.892 -3.176) 5.833 20.958 ( -2.310 3.043 2.114) 4.366 21.073 ( 4.718 1.231 -2.711) 5.579 21.272 ( -0.347 2.039 3.559) 4.116 21.348 ( -2.543 -2.196 -0.570) 3.408 21.383 ( 0.985 0.360 1.552) 1.873 21.531 ( -0.527 4.040 -3.426) 5.323 22.193 ( -0.555 0.049 -0.024) 0.558 22.219 ( 0.402 0.915 -0.628) 1.181 24.166 ( -2.116 3.106 3.405) 5.071 24.427 ( 1.864 2.669 -9.247) 9.804 24.827 ( 2.477 0.078 9.118) 9.448 25.080 ( -1.931 -2.234 -3.174) 4.335 26.585 ( 0.848 -2.981 0.099) 3.101 26.592 ( -0.923 0.597 -0.097) 1.104 ======================= Grid point 147 (64/117) ======================= q-point: (-0.20 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( -11.222 1.437 10.774) 15.622 2.142 ( 0.011 0.474 -0.006) 0.474 2.170 ( 1.745 0.492 3.149) 3.633 2.248 ( -0.943 -0.873 -1.883) 2.280 2.425 ( 1.554 2.021 4.834) 5.466 2.499 ( -2.627 6.809 -2.645) 7.763 2.813 ( -10.090 10.441 -5.771) 15.624 2.961 ( 1.286 4.665 -2.942) 5.664 2.986 ( 9.933 8.059 -5.052) 13.753 3.024 ( -4.148 3.199 -4.376) 6.825 3.167 ( -19.170 12.852 3.178) 23.297 3.375 ( 10.011 10.293 -0.653) 14.373 3.397 ( -3.780 -6.127 0.170) 7.201 3.641 ( 8.269 5.716 -1.265) 10.132 3.722 ( -3.254 -3.530 0.986) 4.901 3.835 ( 7.802 16.049 1.909) 17.947 3.977 ( -4.818 1.151 7.019) 8.591 4.142 ( -1.762 -0.999 2.143) 2.949 4.419 ( 4.473 7.402 -4.992) 9.985 4.481 ( 6.401 2.383 -4.061) 7.946 4.856 ( 0.634 -2.297 4.418) 5.019 4.897 ( -1.820 -3.529 3.175) 5.084 4.977 ( 2.358 -3.040 0.569) 3.889 5.080 ( 1.321 2.256 -2.087) 3.345 5.587 ( -7.634 -8.377 3.653) 11.908 5.623 ( -5.911 -2.322 7.196) 9.598 5.882 ( 1.120 -4.901 -7.728) 9.219 5.967 ( 2.370 10.356 -2.276) 10.865 6.048 ( 0.627 -4.302 -0.877) 4.435 6.128 ( 4.610 -1.930 -0.800) 5.061 6.337 ( 7.250 1.738 -2.149) 7.759 6.390 ( 5.464 6.881 -1.874) 8.984 7.014 ( -2.258 4.707 0.772) 5.277 7.089 ( -3.780 6.017 -3.620) 7.975 7.507 ( 3.395 2.348 3.017) 5.112 7.587 ( 0.832 0.124 2.209) 2.364 7.854 ( 2.237 -0.869 8.679) 9.004 8.130 ( -3.445 -3.618 -9.072) 10.356 8.287 ( -6.953 -8.698 7.417) 13.379 8.480 ( -4.002 2.355 7.131) 8.509 8.747 ( 2.179 -1.355 -6.680) 7.156 8.895 ( 2.162 -0.792 -9.190) 9.474 9.205 ( -6.280 -6.330 3.441) 9.557 9.425 ( 3.383 -4.968 -1.686) 6.242 9.689 ( -4.815 -0.318 -0.530) 4.855 9.988 ( 14.484 1.544 -4.379) 15.211 10.459 ( -13.535 -0.271 5.903) 14.769 10.919 ( 13.875 -0.090 -2.749) 14.145 11.426 ( -2.397 4.431 2.950) 5.838 11.586 ( -0.190 2.225 -7.320) 7.653 11.763 ( -2.587 0.444 10.555) 10.877 12.132 ( 3.017 -4.116 7.134) 8.771 12.321 ( 0.683 3.058 -4.383) 5.388 12.569 ( -5.606 -1.300 -11.792) 13.122 12.873 ( -9.194 0.545 3.466) 9.841 13.113 ( 8.162 2.371 1.706) 8.668 15.832 ( -1.011 -3.752 1.914) 4.332 15.952 ( 0.702 -1.598 -1.887) 2.570 20.863 ( -3.468 4.074 1.493) 5.555 21.094 ( 4.783 2.864 -4.302) 7.042 21.250 ( -0.407 -1.065 5.866) 5.976 21.369 ( -1.888 -2.910 0.377) 3.489 21.429 ( 1.930 -2.042 0.368) 2.834 21.456 ( 2.127 3.996 -2.412) 5.129 22.171 ( -2.193 0.024 -0.421) 2.233 22.220 ( 1.524 0.131 -0.431) 1.589 24.093 ( -7.685 0.378 2.006) 7.951 24.406 ( 5.297 0.879 -7.646) 9.343 24.911 ( 3.663 -2.539 10.052) 10.996 25.086 ( -2.375 -1.915 -4.502) 5.439 26.529 ( -4.163 2.741 0.467) 5.006 26.639 ( 4.237 0.769 -0.975) 4.416 ======================= Grid point 148 (65/117) ======================= q-point: (-0.10 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( -10.056 3.414 5.717) 12.061 2.049 ( -1.303 5.248 2.317) 5.883 2.096 ( -3.370 12.693 -0.260) 13.135 2.166 ( -5.332 7.857 -0.212) 9.498 2.429 ( -0.627 -1.061 0.761) 1.448 2.439 ( 3.338 6.589 1.723) 7.585 2.515 ( -1.643 4.760 -1.350) 5.214 2.747 ( -9.707 7.992 4.436) 13.333 2.869 ( 4.385 10.924 -7.272) 13.836 2.925 ( 1.536 -1.699 1.045) 2.518 3.042 ( 7.410 -0.609 -11.184) 13.430 3.351 ( -0.027 2.783 0.074) 2.785 3.454 ( 0.554 -2.704 6.874) 7.408 3.617 ( 1.558 3.610 0.161) 3.935 3.675 ( 8.722 3.465 -7.641) 12.103 3.788 ( 0.541 -2.198 3.095) 3.835 3.902 ( -2.466 3.798 3.586) 5.776 4.113 ( 2.503 9.090 8.570) 12.742 4.439 ( 13.739 7.111 -1.118) 15.510 4.487 ( 3.441 -3.107 -7.747) 9.029 4.726 ( 0.811 19.296 -1.842) 19.400 4.911 ( -2.188 8.355 0.665) 8.662 4.964 ( -0.621 -0.373 3.907) 3.974 5.126 ( 1.916 -5.643 0.670) 5.997 5.475 ( -10.300 -2.422 3.917) 11.282 5.656 ( -4.617 -1.576 -4.455) 6.606 5.901 ( 2.033 5.778 2.264) 6.530 6.037 ( -1.815 -12.819 -2.675) 13.221 6.166 ( 7.028 -8.570 1.821) 11.232 6.186 ( 8.467 3.456 0.269) 9.149 6.373 ( 9.341 -0.330 3.950) 10.148 6.411 ( 5.898 -3.320 -5.226) 8.551 6.954 ( -0.723 2.249 2.510) 3.447 7.045 ( -3.836 -4.772 -9.085) 10.955 7.470 ( -2.164 1.761 -0.891) 2.929 7.624 ( -1.110 -2.449 4.150) 4.945 7.843 ( -4.721 4.357 3.867) 7.499 8.107 ( 0.112 1.846 -1.175) 2.191 8.364 ( -6.654 -7.373 1.740) 10.083 8.471 ( -5.854 -6.711 6.476) 11.011 8.803 ( 4.692 -1.124 -5.990) 7.692 8.905 ( 0.750 -1.037 -5.720) 5.861 9.264 ( -2.167 -4.156 1.655) 4.971 9.484 ( -7.091 -2.074 2.861) 7.923 9.710 ( 7.643 -1.996 -1.701) 8.080 10.091 ( 13.156 1.873 -1.701) 13.398 10.276 ( -16.356 5.598 4.564) 17.880 10.951 ( 10.506 9.360 -3.913) 14.605 11.332 ( -1.539 5.287 3.746) 6.660 11.562 ( 5.233 0.794 -8.391) 9.921 11.743 ( -1.743 1.549 7.426) 7.783 12.161 ( 0.274 2.749 -6.118) 6.713 12.326 ( -8.858 -2.959 5.885) 11.038 12.561 ( 0.739 -8.981 -0.226) 9.014 12.857 ( -6.677 -6.711 -2.077) 9.692 13.156 ( 5.634 1.326 1.100) 5.891 15.838 ( -3.030 0.872 -1.643) 3.556 15.958 ( 0.528 1.976 1.295) 2.421 20.763 ( -1.769 4.092 0.610) 4.499 21.059 ( 4.761 4.417 0.372) 6.505 21.286 ( -2.806 -2.095 -2.828) 4.501 21.378 ( -3.672 -0.534 0.451) 3.738 21.477 ( 1.305 -1.033 0.207) 1.677 21.503 ( 10.361 -4.257 3.205) 11.651 22.162 ( -2.117 -1.625 -0.526) 2.721 22.238 ( 0.433 -1.018 -0.196) 1.124 24.019 ( -8.599 -0.993 1.439) 8.775 24.451 ( 5.800 -1.267 -5.661) 8.204 25.026 ( 1.495 -4.066 8.057) 9.148 25.080 ( -2.235 -1.449 -4.275) 5.037 26.409 ( -2.879 6.866 0.916) 7.501 26.638 ( 4.785 3.853 -2.121) 6.499 ======================= Grid point 153 (66/117) ======================= q-point: ( 0.40 0.40 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( -13.327 -0.000 8.877) 16.013 2.049 ( 5.143 0.000 -15.595) 16.421 2.154 ( 10.480 0.000 -1.163) 10.544 2.157 ( 8.867 0.000 3.507) 9.535 2.464 ( 1.849 0.000 2.550) 3.150 2.608 ( 10.151 0.000 2.251) 10.398 2.679 ( -11.415 -0.000 11.935) 16.515 2.760 ( 0.450 0.000 -8.872) 8.883 2.964 ( 8.308 0.000 2.475) 8.669 3.037 ( 12.871 0.000 1.894) 13.010 3.379 ( 2.600 0.000 6.241) 6.761 3.526 ( -0.664 -0.000 -0.801) 1.040 3.556 ( -7.538 -0.000 -0.595) 7.561 3.718 ( 1.331 0.000 -10.190) 10.277 3.876 ( 8.859 0.000 3.520) 9.533 3.911 ( 7.432 0.000 0.219) 7.435 4.071 ( 2.700 0.000 -3.343) 4.297 4.193 ( -4.762 -0.000 -3.375) 5.837 4.446 ( 1.886 0.000 6.207) 6.487 4.632 ( 0.648 0.000 0.293) 0.711 4.696 ( 23.594 0.000 -7.345) 24.710 5.037 ( 25.249 0.000 -3.501) 25.491 5.037 ( -7.467 -0.000 19.981) 21.331 5.208 ( 6.644 0.000 -1.594) 6.833 5.599 ( -15.046 -0.000 3.877) 15.538 5.731 ( 7.640 0.000 -10.734) 13.175 6.004 ( 4.287 0.000 -3.649) 5.630 6.137 ( -2.559 -0.000 -2.087) 3.303 6.220 ( -6.665 -0.000 -0.249) 6.669 6.437 ( -17.055 -0.000 -6.542) 18.267 6.620 ( 2.910 0.000 -1.589) 3.315 6.687 ( 2.001 0.000 1.861) 2.733 6.906 ( -0.067 -0.000 -0.148) 0.162 7.120 ( -3.503 -0.000 5.801) 6.777 7.241 ( -5.712 -0.000 -3.259) 6.577 7.593 ( -4.654 -0.000 -4.170) 6.249 7.871 ( 0.900 0.000 18.541) 18.563 7.896 ( 4.048 0.000 11.481) 12.173 8.232 ( -7.688 -0.000 2.005) 7.946 8.332 ( -11.731 -0.000 -2.258) 11.946 8.683 ( 0.979 0.000 -2.968) 3.125 8.873 ( 2.167 0.000 -11.914) 12.109 9.267 ( -4.157 -0.000 -10.622) 11.406 9.509 ( -2.156 -0.000 -6.730) 7.067 9.606 ( -1.287 -0.000 9.949) 10.032 9.841 ( 0.721 0.000 5.406) 5.454 10.365 ( 12.530 0.000 1.812) 12.660 10.673 ( 5.439 0.000 -7.773) 9.487 11.504 ( 15.490 0.000 -5.768) 16.529 11.720 ( 2.020 0.000 8.135) 8.382 11.930 ( -8.432 -0.000 6.167) 10.447 12.055 ( -8.901 -0.000 0.562) 8.919 12.529 ( 6.336 0.000 -2.396) 6.774 12.790 ( 11.589 0.000 1.804) 11.728 13.099 ( -6.942 -0.000 -14.821) 16.367 13.202 ( -11.736 -0.000 11.103) 16.156 15.276 ( -0.253 -0.000 2.015) 2.031 15.421 ( 1.369 0.000 -1.766) 2.234 20.990 ( -0.967 -0.000 5.835) 5.914 21.256 ( 6.866 0.000 -2.093) 7.178 21.325 ( 0.282 0.000 -0.313) 0.421 21.333 ( -0.719 -0.000 -3.589) 3.660 21.744 ( 3.964 0.000 -0.825) 4.048 21.855 ( 1.377 0.000 0.350) 1.421 21.961 ( -6.141 -0.000 -0.134) 6.142 22.037 ( -5.037 -0.000 -0.190) 5.041 24.516 ( -2.076 -0.000 -0.548) 2.147 24.731 ( -6.325 -0.000 0.355) 6.335 24.988 ( 1.238 0.000 0.705) 1.424 25.189 ( 0.721 0.000 0.087) 0.726 26.232 ( 3.309 0.000 4.532) 5.612 26.310 ( 7.235 0.000 -4.192) 8.362 ======================= Grid point 154 (67/117) ======================= q-point: ( 0.50 0.40 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( -8.505 -12.753 15.868) 22.063 2.033 ( 0.767 0.196 -13.818) 13.841 2.232 ( 4.612 -0.838 4.202) 6.296 2.404 ( 6.068 -11.710 -1.648) 13.291 2.496 ( 0.928 -0.991 1.975) 2.397 2.512 ( -3.864 6.796 11.261) 13.709 2.661 ( -3.112 1.213 5.130) 6.122 2.784 ( 5.813 -3.330 -5.494) 8.664 3.136 ( 6.537 -7.784 -6.935) 12.305 3.221 ( 4.978 -5.035 -5.014) 8.676 3.381 ( 4.912 2.983 4.094) 7.056 3.433 ( -1.978 2.696 0.573) 3.392 3.552 ( 1.790 -5.411 2.841) 6.368 3.718 ( 3.821 1.374 -3.028) 5.065 3.918 ( -1.378 1.683 1.702) 2.762 4.013 ( 9.416 -0.606 -4.650) 10.519 4.073 ( 0.051 -0.315 -2.684) 2.703 4.249 ( 0.038 -4.587 3.730) 5.912 4.442 ( -3.791 -0.099 -3.014) 4.844 4.514 ( -1.698 6.707 2.922) 7.510 4.811 ( 14.203 6.733 1.226) 15.766 5.038 ( 0.010 10.431 -1.115) 10.491 5.127 ( -15.664 -6.791 15.021) 22.740 5.358 ( 22.704 -6.360 -4.237) 23.956 5.579 ( -5.885 -3.520 1.567) 7.034 5.695 ( 7.958 7.694 -10.742) 15.425 5.769 ( 3.557 16.677 -1.184) 17.094 6.033 ( -6.922 8.312 -3.508) 11.372 6.145 ( -8.298 4.316 -2.435) 9.665 6.251 ( -13.362 -0.208 -0.952) 13.398 6.751 ( -0.930 6.957 -2.073) 7.319 6.864 ( 12.017 -16.418 -0.662) 20.357 6.911 ( 0.268 -8.019 -2.574) 8.426 7.131 ( -8.592 -8.040 -1.192) 11.827 7.272 ( 4.939 -6.434 7.742) 11.213 7.635 ( -4.771 -8.619 -2.982) 10.293 7.830 ( 0.801 11.655 12.621) 17.198 7.942 ( 1.070 -1.298 14.815) 14.910 8.167 ( -5.380 5.552 -1.406) 7.858 8.244 ( -3.135 -3.642 2.958) 5.643 8.700 ( 0.595 -1.241 -4.497) 4.703 8.832 ( 0.855 2.396 -11.201) 11.486 9.190 ( -1.615 2.804 -8.385) 8.988 9.449 ( -1.457 2.160 -8.716) 9.097 9.629 ( 1.163 0.886 6.596) 6.756 9.821 ( -0.138 -0.730 7.007) 7.046 10.579 ( 6.278 -7.535 -0.538) 9.822 10.628 ( 0.890 5.936 -2.396) 6.463 11.618 ( 13.735 2.398 -3.119) 14.287 11.658 ( 1.241 6.949 4.852) 8.565 11.827 ( -11.199 0.046 6.773) 13.088 12.069 ( -5.049 -4.811 -2.310) 7.347 12.561 ( 6.028 2.937 -3.858) 7.736 12.911 ( -3.503 -1.969 -4.567) 6.083 12.991 ( 9.200 3.810 -4.219) 10.815 13.113 ( -10.495 -0.945 8.573) 13.584 15.316 ( -0.428 -4.192 3.050) 5.202 15.493 ( 0.514 -6.775 -2.598) 7.274 20.991 ( -0.689 0.512 5.608) 5.673 21.277 ( 1.410 1.507 0.292) 2.084 21.314 ( 4.223 2.604 -6.001) 7.786 21.324 ( -1.711 0.029 -0.324) 1.741 21.652 ( 5.682 8.403 0.077) 10.143 21.799 ( -8.339 5.545 -0.160) 10.016 22.012 ( 0.895 -7.598 0.669) 7.680 22.091 ( -1.589 -6.838 -0.978) 7.088 24.503 ( -0.279 0.285 0.162) 0.431 24.593 ( -2.997 8.026 0.010) 8.568 25.005 ( 1.343 -0.098 0.619) 1.482 25.113 ( -0.872 7.431 -0.542) 7.502 26.305 ( 2.416 -4.357 2.835) 5.732 26.421 ( 2.015 -5.598 -2.256) 6.363 ======================= Grid point 155 (68/117) ======================= q-point: (-0.40 -0.60 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( -6.555 -15.830 12.624) 21.283 1.978 ( -3.315 0.370 -11.706) 12.172 2.252 ( -4.064 1.080 4.508) 6.164 2.386 ( -0.766 3.175 8.101) 8.734 2.506 ( 0.078 1.479 1.099) 1.844 2.647 ( 5.844 -5.023 7.236) 10.571 2.692 ( 5.210 -5.486 -2.522) 7.975 2.906 ( 1.141 -3.211 4.435) 5.593 3.211 ( 1.325 0.333 -6.663) 6.802 3.265 ( 1.842 -1.303 -8.732) 9.019 3.359 ( -0.855 2.049 -1.837) 2.882 3.415 ( 1.861 4.332 -1.972) 5.111 3.758 ( 7.447 3.078 5.775) 9.914 3.848 ( 1.047 -11.907 -0.548) 11.965 3.862 ( -5.315 -9.621 2.362) 11.242 4.024 ( -6.337 2.588 -2.100) 7.160 4.085 ( 1.759 -0.709 -1.539) 2.443 4.257 ( -3.848 -5.291 -4.850) 8.145 4.381 ( 2.545 6.502 1.674) 7.180 4.435 ( 1.239 7.347 -3.503) 8.233 4.782 ( 0.507 -0.218 1.375) 1.482 4.881 ( 1.266 3.007 0.052) 3.263 5.163 ( -11.343 -5.212 10.039) 16.019 5.314 ( 2.253 17.529 3.564) 18.029 5.584 ( -8.110 0.067 -2.337) 8.440 5.618 ( 1.384 8.627 -1.528) 8.870 5.675 ( 6.517 8.895 -2.515) 11.310 5.850 ( 6.555 -3.711 -8.323) 11.225 6.024 ( -4.177 2.790 3.089) 5.897 6.154 ( 2.882 2.996 -2.449) 4.825 6.570 ( 2.312 9.477 2.935) 10.187 6.835 ( -4.737 5.615 -10.539) 12.846 7.311 ( 6.229 -18.113 0.165) 19.155 7.381 ( -8.906 -19.425 -2.860) 21.560 7.461 ( 4.550 -4.019 11.439) 12.950 7.630 ( -1.826 10.654 11.884) 16.065 7.758 ( 0.424 -6.781 -3.938) 7.853 7.972 ( -2.794 5.942 -3.793) 7.583 8.033 ( -0.315 -0.414 13.159) 13.169 8.312 ( 4.599 -1.098 6.847) 8.321 8.690 ( 0.177 0.526 -10.685) 10.700 8.781 ( -0.940 -0.690 -9.851) 9.919 9.099 ( 0.091 3.315 -1.458) 3.623 9.333 ( -1.065 5.468 -7.741) 9.537 9.733 ( 7.452 -5.936 3.142) 10.032 9.868 ( -5.688 -3.330 1.827) 6.840 10.503 ( -1.843 5.697 4.668) 7.592 10.686 ( 3.016 -0.286 -1.630) 3.440 11.602 ( -0.193 1.747 3.836) 4.220 11.683 ( 9.551 2.978 1.468) 10.112 11.761 ( -7.762 -1.291 3.646) 8.673 12.048 ( -5.323 -0.208 -2.300) 5.802 12.525 ( 3.463 4.850 -4.297) 7.347 12.783 ( -3.053 4.506 -11.543) 12.762 13.047 ( -5.612 -1.932 6.065) 8.486 13.125 ( 7.465 0.334 3.428) 8.221 15.433 ( -0.162 -7.750 4.303) 8.866 15.633 ( 0.094 -8.826 -3.614) 9.538 20.990 ( -0.844 0.382 5.022) 5.106 21.226 ( 1.089 5.076 -3.338) 6.172 21.286 ( -2.804 0.182 0.136) 2.813 21.315 ( 3.569 0.781 -2.009) 4.169 21.559 ( 0.339 7.724 1.884) 7.958 21.654 ( -1.036 3.248 -2.030) 3.967 22.128 ( 0.161 -4.645 0.840) 4.723 22.186 ( -0.195 -4.140 -1.295) 4.342 24.396 ( -2.815 8.710 2.517) 9.494 24.521 ( 3.263 1.466 -2.484) 4.355 24.954 ( -1.728 7.305 1.431) 7.642 25.021 ( 0.953 -0.398 -1.229) 1.605 26.418 ( -1.993 -5.909 2.272) 6.637 26.520 ( 2.191 -4.293 -1.738) 5.124 ======================= Grid point 156 (69/117) ======================= q-point: (-0.30 -0.60 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( -6.955 -8.182 7.882) 13.321 1.953 ( -2.471 -5.027 -2.661) 6.202 2.188 ( -5.440 0.790 1.672) 5.746 2.352 ( 2.166 4.977 5.880) 8.002 2.474 ( 0.199 1.899 2.714) 3.318 2.790 ( 4.485 2.329 -9.111) 10.419 2.834 ( 0.621 -5.665 4.910) 7.522 2.981 ( -0.959 -6.926 5.612) 8.966 3.131 ( -4.003 8.112 -4.435) 10.075 3.205 ( 3.703 4.019 -2.486) 6.004 3.299 ( -7.428 1.382 -1.993) 7.813 3.365 ( -0.252 -0.373 -1.937) 1.989 3.581 ( -6.895 8.431 -2.862) 11.261 3.834 ( -2.359 5.939 -2.209) 6.761 3.971 ( -3.319 3.137 7.151) 8.485 4.019 ( -6.074 0.661 -2.719) 6.687 4.101 ( 0.096 0.312 0.205) 0.386 4.239 ( 0.933 -1.308 1.730) 2.361 4.365 ( 2.139 -6.562 -0.181) 6.905 4.557 ( 3.919 -15.921 -6.979) 17.820 4.782 ( -8.959 0.400 0.195) 8.970 4.888 ( 1.789 3.583 1.408) 4.245 4.994 ( 5.139 19.189 1.700) 19.938 5.168 ( -1.902 -2.214 1.751) 3.404 5.381 ( -7.465 8.203 5.645) 12.445 5.503 ( -5.414 2.124 -3.130) 6.605 5.639 ( 2.539 -7.121 -0.363) 7.569 5.960 ( -5.895 -2.403 0.137) 6.368 6.044 ( 15.992 0.759 -1.525) 16.082 6.214 ( 16.945 2.369 -2.556) 17.300 6.503 ( 3.295 3.776 2.636) 5.663 6.622 ( -4.210 8.682 -9.270) 13.380 7.332 ( -7.062 9.921 7.543) 14.325 7.521 ( -11.484 0.872 -1.450) 11.608 7.602 ( -0.846 -8.785 -1.985) 9.046 7.620 ( 3.824 -3.244 13.980) 14.852 7.713 ( 8.933 9.995 -1.666) 13.509 7.954 ( -3.185 -6.648 -6.811) 10.037 8.081 ( -3.286 -2.040 11.154) 11.805 8.414 ( 4.293 -2.337 7.167) 8.675 8.667 ( -0.947 -2.404 -10.381) 10.697 8.788 ( -0.314 -3.929 -11.424) 12.085 9.113 ( 2.244 -2.283 0.810) 3.302 9.234 ( -0.912 1.323 -4.145) 4.446 9.787 ( -8.198 2.797 -1.667) 8.821 9.950 ( 12.276 -5.391 0.024) 13.407 10.423 ( -6.944 1.714 6.474) 9.648 10.763 ( 9.781 -4.245 0.590) 10.679 11.559 ( -3.093 2.641 0.886) 4.163 11.662 ( -1.605 2.552 -2.601) 3.982 11.767 ( -0.349 0.007 11.247) 11.253 12.016 ( -3.015 -2.530 -0.255) 3.944 12.444 ( 0.699 4.660 -5.491) 7.236 12.651 ( -1.089 4.774 -11.229) 12.250 13.006 ( -5.799 2.215 3.816) 7.287 13.183 ( 5.761 1.428 3.313) 6.798 15.596 ( 0.344 -8.430 4.154) 9.404 15.778 ( 0.571 -7.837 -3.543) 8.619 20.970 ( -3.337 1.383 2.222) 4.241 21.146 ( 2.140 3.789 -1.432) 4.581 21.265 ( -2.843 -1.413 -0.190) 3.180 21.347 ( 4.104 0.234 -0.710) 4.171 21.425 ( -3.518 4.469 2.897) 6.384 21.612 ( 4.993 4.341 -2.915) 7.230 22.180 ( -0.767 -1.008 0.557) 1.384 22.226 ( 0.489 -0.999 -0.931) 1.451 24.219 ( -5.833 7.028 2.700) 9.523 24.505 ( 4.824 3.602 -5.548) 8.187 24.877 ( 0.282 1.197 5.480) 5.616 25.032 ( 0.385 -0.691 -2.539) 2.660 26.470 ( -6.019 -4.435 0.609) 7.501 26.619 ( 4.917 -2.538 -0.248) 5.539 ======================= Grid point 157 (70/117) ======================= q-point: (-0.20 -0.60 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( -8.022 1.253 6.857) 10.627 2.085 ( -1.502 -5.776 1.375) 6.124 2.145 ( -2.375 -4.095 -0.212) 4.738 2.282 ( 1.452 5.133 2.673) 5.967 2.455 ( -0.264 0.936 1.811) 2.056 2.622 ( -4.267 11.526 -3.103) 12.676 2.799 ( -7.297 2.754 -5.432) 9.505 2.910 ( -11.041 0.376 -4.549) 11.947 3.093 ( -8.737 6.508 1.417) 10.986 3.154 ( -1.253 2.421 -0.144) 2.730 3.245 ( 0.612 -0.899 0.898) 1.410 3.271 ( 0.012 5.512 -1.979) 5.857 3.556 ( -5.929 -5.267 3.247) 8.570 3.669 ( 4.103 10.208 -1.161) 11.062 3.729 ( -3.983 3.311 -0.091) 5.180 4.062 ( 5.889 4.123 3.767) 8.116 4.113 ( -0.777 0.324 0.053) 0.843 4.285 ( 10.766 5.292 2.349) 12.224 4.402 ( -11.581 -2.924 -4.082) 12.622 4.559 ( 2.448 13.123 2.971) 13.676 4.810 ( 0.956 -6.754 -5.142) 8.542 4.823 ( -3.056 -5.864 -1.313) 6.741 4.954 ( 3.155 -3.419 -0.873) 4.733 5.123 ( 4.678 8.784 3.932) 10.701 5.297 ( -11.313 -9.840 4.554) 15.670 5.527 ( -4.073 -6.007 0.874) 7.310 5.855 ( 6.649 -7.020 -0.818) 9.704 5.950 ( -3.431 -3.069 -1.397) 4.810 6.177 ( 9.296 3.713 -2.443) 10.304 6.200 ( 5.582 9.178 -5.529) 12.082 6.420 ( 6.026 1.902 -0.753) 6.364 6.589 ( 13.812 3.635 1.474) 14.358 7.107 ( -4.642 9.177 5.107) 11.482 7.233 ( -9.802 12.642 -1.378) 16.056 7.621 ( -2.113 2.644 0.528) 3.426 7.690 ( 12.566 6.562 1.996) 14.316 7.770 ( -5.939 -8.535 2.906) 10.796 7.991 ( -4.632 -3.863 -2.238) 6.433 8.116 ( -5.260 -4.353 7.405) 10.072 8.484 ( -1.069 -0.790 6.945) 7.071 8.693 ( -0.869 -3.222 -8.915) 9.519 8.813 ( -2.513 -3.433 -12.052) 12.781 9.108 ( -1.177 0.211 4.060) 4.232 9.347 ( 5.514 -8.393 -3.912) 10.777 9.678 ( -2.190 2.087 -0.212) 3.033 10.139 ( 13.865 -0.679 -2.453) 14.097 10.324 ( -12.225 -0.179 5.495) 13.404 11.006 ( 14.266 -6.500 -0.629) 15.690 11.459 ( -5.162 3.575 2.994) 6.956 11.600 ( -1.178 1.448 -3.003) 3.536 11.776 ( -2.240 0.230 10.873) 11.104 12.069 ( -1.177 -4.638 -0.289) 4.794 12.361 ( 0.022 3.059 -3.031) 4.307 12.517 ( -4.178 4.037 -12.551) 13.831 12.875 ( -5.674 6.153 4.443) 9.476 13.217 ( 4.431 1.329 2.178) 5.113 15.738 ( -0.359 -5.968 1.308) 6.120 15.900 ( 1.549 -5.169 -1.060) 5.499 20.890 ( -3.965 2.889 -0.154) 4.908 21.122 ( -0.013 0.228 -3.546) 3.553 21.290 ( 0.889 -1.538 5.123) 5.422 21.321 ( -1.006 2.347 1.841) 3.148 21.415 ( 2.068 -1.571 -0.059) 2.598 21.569 ( 5.637 5.179 -2.734) 8.129 22.163 ( -1.587 0.967 0.079) 1.860 22.236 ( 0.612 0.236 -0.335) 0.737 24.053 ( -8.234 3.834 1.875) 9.274 24.479 ( 5.602 3.011 -5.644) 8.503 24.915 ( 0.250 -2.326 5.048) 5.564 25.042 ( 1.051 -0.514 -1.717) 2.078 26.476 ( -5.182 -2.479 -0.283) 5.751 26.693 ( 4.403 -0.380 0.444) 4.442 ======================= Grid point 158 (71/117) ======================= q-point: (-0.10 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( -9.142 3.509 5.521) 11.242 2.063 ( -4.156 -1.149 -1.376) 4.526 2.204 ( -1.406 -0.754 -3.249) 3.620 2.236 ( -0.996 7.153 -0.092) 7.222 2.435 ( -1.539 0.734 -2.312) 2.873 2.484 ( 1.491 0.166 5.108) 5.324 2.592 ( -8.334 9.499 -4.732) 13.493 2.760 ( -10.557 3.027 4.084) 11.718 2.934 ( -5.291 3.680 2.091) 6.776 2.983 ( 1.004 3.810 -2.742) 4.801 3.199 ( 6.336 6.641 -4.822) 10.368 3.293 ( -4.078 -3.574 3.849) 6.650 3.517 ( 4.675 6.661 -2.688) 8.570 3.583 ( -8.033 -4.949 -1.153) 9.505 3.781 ( 6.965 1.039 -1.717) 7.248 3.943 ( 2.045 9.567 1.088) 9.844 4.139 ( 6.912 7.648 9.703) 14.156 4.159 ( 7.774 8.817 0.303) 11.759 4.426 ( -2.552 -9.896 -4.336) 11.102 4.559 ( 2.787 -0.679 -2.812) 4.017 4.851 ( -4.763 -4.907 5.395) 8.711 4.875 ( -1.766 -2.203 0.919) 2.969 5.050 ( 4.645 0.858 -0.002) 4.724 5.086 ( 0.439 2.917 -1.078) 3.141 5.415 ( -6.932 -11.427 -3.005) 13.699 5.490 ( -7.152 5.466 2.283) 9.286 5.879 ( -1.670 0.502 -3.297) 3.730 6.012 ( 3.280 1.984 -1.505) 4.119 6.089 ( 4.848 -7.519 2.988) 9.433 6.310 ( 4.993 -1.069 -0.180) 5.110 6.441 ( 12.013 6.614 -3.416) 14.133 6.657 ( 16.780 6.720 0.865) 18.096 6.945 ( -6.677 3.206 -1.468) 7.550 7.037 ( 1.309 2.695 4.697) 5.571 7.509 ( -5.463 4.272 -3.206) 7.640 7.685 ( 8.212 6.457 3.904) 11.152 7.795 ( -11.779 -2.859 -1.003) 12.162 8.027 ( -4.104 -5.361 0.995) 6.825 8.176 ( -5.032 -6.698 2.843) 8.847 8.431 ( -4.205 3.733 8.596) 10.272 8.745 ( 2.495 -5.092 -10.378) 11.826 8.839 ( -1.019 -4.289 -10.563) 11.446 9.146 ( -2.370 -3.886 6.477) 7.917 9.472 ( 2.187 0.302 -0.505) 2.264 9.715 ( 6.456 -4.814 0.360) 8.061 10.173 ( -9.245 3.217 4.240) 10.667 10.264 ( 5.113 0.414 -0.882) 5.205 11.161 ( 10.516 4.386 -4.771) 12.352 11.382 ( -4.198 1.028 5.675) 7.133 11.592 ( 3.812 -0.743 -4.642) 6.053 11.779 ( -0.611 0.681 7.607) 7.662 12.117 ( -3.416 -3.875 -4.610) 6.923 12.286 ( -5.835 6.533 -4.466) 9.832 12.430 ( -0.470 -5.702 -0.022) 5.722 12.752 ( -4.039 1.821 1.963) 4.846 13.235 ( 3.162 1.521 1.574) 3.846 15.798 ( -1.479 -1.902 -2.303) 3.334 15.978 ( 1.142 -1.335 2.177) 2.798 20.808 ( -1.647 2.660 -0.653) 3.196 21.108 ( -0.731 -0.655 -5.083) 5.177 21.286 ( 0.581 1.946 4.062) 4.541 21.339 ( -1.295 -0.282 3.862) 4.083 21.460 ( 1.131 -1.633 0.203) 1.997 21.564 ( 7.488 0.368 -1.360) 7.619 22.134 ( -1.187 0.324 0.139) 1.239 22.234 ( -0.125 0.110 -0.209) 0.267 23.941 ( -6.677 0.630 1.662) 6.910 24.482 ( 4.665 0.854 -4.848) 6.782 24.955 ( -3.288 -2.957 -1.870) 4.802 25.074 ( 2.825 -0.519 4.019) 4.940 26.448 ( -3.028 1.036 -0.508) 3.241 26.724 ( 3.483 1.352 0.485) 3.767 ======================= Grid point 164 (72/117) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( -2.330 -0.000 24.352) 24.464 1.995 ( -1.141 -0.000 -15.386) 15.428 2.278 ( -1.892 -0.000 3.357) 3.854 2.317 ( 2.221 0.000 0.277) 2.238 2.500 ( 0.663 0.000 6.423) 6.457 2.561 ( -3.471 -0.000 6.949) 7.768 2.620 ( -2.245 -0.000 -0.288) 2.264 2.785 ( 3.486 0.000 -3.374) 4.852 2.966 ( -7.462 -0.000 -4.858) 8.904 3.271 ( 2.250 0.000 -8.058) 8.367 3.400 ( -3.468 -0.000 2.777) 4.443 3.510 ( 4.947 0.000 4.865) 6.938 3.522 ( 3.928 0.000 4.654) 6.090 3.730 ( 6.075 0.000 -12.089) 13.529 4.014 ( 0.315 0.000 2.345) 2.366 4.022 ( 4.492 0.000 -4.044) 6.045 4.192 ( 6.370 0.000 7.697) 9.991 4.218 ( 11.048 0.000 -1.478) 11.146 4.397 ( -5.002 -0.000 -4.605) 6.799 4.527 ( -7.381 -0.000 -2.506) 7.795 4.817 ( -21.771 -0.000 23.305) 31.892 5.088 ( 12.905 0.000 -2.037) 13.065 5.164 ( -10.733 -0.000 -5.536) 12.076 5.385 ( -10.393 -0.000 5.138) 11.594 5.464 ( 14.599 0.000 -1.933) 14.726 5.783 ( 1.525 0.000 -14.464) 14.544 6.045 ( -5.052 -0.000 -0.052) 5.052 6.070 ( 3.723 0.000 -0.588) 3.769 6.140 ( 3.018 0.000 -3.055) 4.295 6.205 ( -1.396 -0.000 -5.142) 5.328 6.622 ( 0.885 0.000 -2.376) 2.535 6.660 ( -1.950 -0.000 -1.507) 2.465 7.003 ( 5.531 0.000 4.061) 6.862 7.054 ( -5.961 -0.000 0.957) 6.037 7.262 ( 6.034 0.000 6.191) 8.645 7.467 ( -5.475 -0.000 -4.247) 6.929 7.985 ( -0.012 -0.000 17.083) 17.083 8.017 ( -3.202 -0.000 11.779) 12.206 8.151 ( -0.232 -0.000 3.219) 3.227 8.194 ( 4.078 0.000 0.204) 4.083 8.692 ( 1.332 0.000 -6.119) 6.262 8.840 ( 1.466 0.000 -14.494) 14.568 9.179 ( 0.431 0.000 -5.705) 5.721 9.411 ( -2.941 -0.000 -9.502) 9.947 9.656 ( 0.891 0.000 10.414) 10.452 9.879 ( 0.517 0.000 3.096) 3.138 10.540 ( 2.885 0.000 1.735) 3.367 10.677 ( -0.452 -0.000 -6.262) 6.278 11.672 ( -11.764 -0.000 3.045) 12.152 11.760 ( 9.170 0.000 0.270) 9.174 11.839 ( -2.008 -0.000 3.602) 4.123 11.941 ( 1.589 0.000 -1.636) 2.281 12.660 ( 8.101 0.000 -3.447) 8.804 12.820 ( -7.478 -0.000 -6.926) 10.193 12.977 ( -15.579 -0.000 8.139) 17.577 13.147 ( 14.854 0.000 -0.297) 14.857 15.287 ( -0.073 -0.000 2.878) 2.879 15.424 ( 0.042 0.000 -2.543) 2.543 21.002 ( -1.102 -0.000 6.320) 6.415 21.272 ( -2.044 -0.000 -1.479) 2.524 21.326 ( -0.067 -0.000 -0.402) 0.407 21.374 ( 4.566 0.000 -5.110) 6.853 21.807 ( 1.703 0.000 0.397) 1.749 21.828 ( -3.021 -0.000 -0.649) 3.090 21.922 ( 1.513 0.000 1.055) 1.844 21.968 ( -0.926 -0.000 -0.880) 1.277 24.516 ( 1.904 0.000 1.582) 2.475 24.622 ( -3.373 -0.000 -2.931) 4.468 25.035 ( 2.034 0.000 3.715) 4.235 25.175 ( -1.429 -0.000 -2.177) 2.604 26.262 ( -2.367 -0.000 2.931) 3.768 26.394 ( 2.866 0.000 -2.337) 3.698 ======================= Grid point 165 (73/117) ======================= q-point: (-0.40 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( 1.865 -8.407 18.956) 20.820 1.903 ( -6.875 1.212 -16.149) 17.594 2.220 ( -8.287 0.739 5.949) 10.228 2.352 ( -3.873 -3.410 2.384) 5.684 2.548 ( 2.947 0.135 3.128) 4.299 2.619 ( 4.390 -5.982 2.553) 7.847 2.636 ( -2.253 -4.345 0.035) 4.894 2.847 ( -1.217 -4.234 1.646) 4.703 2.970 ( -7.098 -11.126 -2.918) 13.516 3.228 ( -4.445 0.531 -6.773) 8.118 3.390 ( 0.343 0.402 1.216) 1.326 3.563 ( 7.262 2.736 0.042) 7.760 3.648 ( 1.726 -6.810 2.012) 7.308 3.684 ( -4.811 1.975 -1.713) 5.475 3.939 ( -5.245 5.280 2.479) 7.845 4.096 ( 7.193 1.821 -5.744) 9.383 4.172 ( -2.687 9.172 -4.307) 10.483 4.200 ( 5.288 2.521 -1.078) 5.956 4.380 ( -0.165 -3.461 3.814) 5.153 4.532 ( 5.311 -2.221 -0.293) 5.764 4.756 ( -23.675 -1.392 9.697) 25.622 4.888 ( -11.077 -1.801 3.040) 11.627 5.070 ( 5.062 11.403 -1.689) 12.590 5.379 ( -18.061 -5.448 -0.406) 18.869 5.566 ( 0.733 0.211 2.810) 2.911 5.715 ( 0.139 2.153 -6.640) 6.981 5.825 ( -7.039 16.603 -1.857) 18.129 6.005 ( 15.318 7.338 -3.319) 17.306 6.098 ( 8.994 2.289 -4.419) 10.279 6.294 ( 12.197 -0.474 -1.288) 12.274 6.726 ( -3.300 -3.682 1.151) 5.076 6.863 ( 0.619 -5.779 -5.240) 7.825 6.924 ( -10.079 -2.784 -1.354) 10.544 7.053 ( 4.963 -9.011 2.951) 10.702 7.437 ( 5.670 -6.870 7.729) 11.794 7.522 ( -3.628 -10.705 -3.644) 11.876 7.853 ( -4.001 11.639 10.050) 15.890 8.016 ( -0.509 0.560 11.273) 11.298 8.165 ( 5.379 4.604 4.703) 8.499 8.341 ( 8.081 -4.742 6.833) 11.597 8.675 ( 0.599 0.313 -11.326) 11.346 8.774 ( 0.127 3.225 -13.964) 14.332 9.163 ( 0.776 2.857 -0.667) 3.035 9.363 ( -1.030 0.877 -10.443) 10.531 9.707 ( 2.585 -2.059 7.159) 7.885 9.845 ( -0.111 2.502 3.142) 4.018 10.590 ( -2.645 4.748 -3.339) 6.379 10.620 ( -3.122 -5.749 0.863) 6.599 11.594 ( -10.209 -4.330 -2.305) 11.327 11.729 ( 0.365 5.307 6.406) 8.326 11.840 ( 7.665 3.584 4.372) 9.524 11.986 ( -1.245 0.006 -2.050) 2.398 12.646 ( 0.666 5.377 -4.197) 6.854 12.758 ( -1.402 -0.098 -8.140) 8.261 12.893 ( -12.011 -5.080 5.868) 14.301 13.276 ( 12.982 2.355 1.977) 13.341 15.334 ( 0.286 -4.449 3.686) 5.785 15.478 ( -0.422 -6.582 -3.236) 7.347 21.000 ( -2.009 0.546 5.855) 6.214 21.245 ( -1.997 0.114 -2.082) 2.887 21.307 ( 0.291 2.279 -1.139) 2.565 21.374 ( 2.779 1.911 -3.147) 4.613 21.649 ( -6.361 8.146 0.129) 10.337 21.791 ( 8.005 5.836 -0.175) 9.908 22.017 ( -1.036 -7.767 0.947) 7.893 22.082 ( 1.504 -6.679 -1.209) 6.952 24.512 ( -0.431 5.588 0.203) 5.608 24.571 ( 2.659 0.745 -0.019) 2.761 25.019 ( -1.845 4.535 0.759) 4.954 25.099 ( 1.010 4.437 -0.687) 4.602 26.280 ( -5.405 -4.822 1.942) 7.499 26.457 ( 1.937 -4.925 -1.368) 5.466 ======================= Grid point 166 (74/117) ======================= q-point: (-0.30 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( 1.074 -8.600 7.868) 11.705 1.794 ( -9.436 -4.530 -7.507) 12.880 2.139 ( -8.261 0.454 5.069) 9.703 2.395 ( -0.864 -2.527 3.209) 4.175 2.554 ( 2.854 3.585 2.627) 5.282 2.729 ( 0.030 -6.414 -6.201) 8.922 2.773 ( 0.097 -5.920 -1.284) 6.059 2.917 ( -0.549 -4.545 9.153) 10.234 3.109 ( -10.989 -6.073 -1.450) 12.639 3.193 ( -1.252 -6.256 0.101) 6.381 3.301 ( -2.462 11.529 -7.437) 13.938 3.365 ( -11.975 8.375 -1.393) 14.679 3.606 ( -7.290 4.094 -3.436) 9.039 3.771 ( -8.461 -3.398 -2.476) 9.448 3.872 ( -3.283 -8.634 2.890) 9.679 4.058 ( -3.454 1.478 1.529) 4.056 4.083 ( 8.795 1.343 2.640) 9.280 4.205 ( -1.013 2.346 -0.083) 2.557 4.395 ( -3.646 5.160 0.623) 6.349 4.490 ( 6.799 -2.246 -1.101) 7.245 4.743 ( -3.049 -1.175 3.693) 4.931 4.866 ( -3.733 4.060 -0.784) 5.571 4.993 ( -7.816 -10.933 2.283) 13.633 5.163 ( -22.221 0.030 -2.190) 22.329 5.474 ( 8.257 16.675 0.393) 18.612 5.614 ( -2.457 -0.016 0.641) 2.540 5.670 ( 2.910 4.693 -3.485) 6.530 5.946 ( 2.294 7.247 1.041) 7.672 6.206 ( 16.169 1.305 -6.427) 17.448 6.463 ( 18.468 -0.426 1.562) 18.539 6.649 ( 2.429 7.036 0.683) 7.475 6.713 ( 1.484 8.434 -3.530) 9.262 7.114 ( -14.541 -17.233 -4.781) 23.049 7.300 ( -7.601 -14.923 4.435) 17.325 7.547 ( -0.942 7.256 6.905) 10.060 7.663 ( -0.722 1.554 10.381) 10.521 7.711 ( -0.486 -10.799 -5.048) 11.930 8.002 ( 1.372 4.516 4.421) 6.467 8.140 ( 7.122 6.311 9.173) 13.217 8.488 ( 6.991 -0.371 7.232) 10.065 8.633 ( 1.295 1.326 -14.026) 14.148 8.703 ( -0.429 -0.692 -13.260) 13.285 9.116 ( 1.450 1.025 -0.254) 1.794 9.281 ( -0.326 4.699 -3.596) 5.926 9.753 ( -2.407 1.377 -2.791) 3.935 9.909 ( 4.794 -7.997 4.345) 10.287 10.464 ( -2.864 5.128 2.221) 6.280 10.704 ( -2.269 -8.018 0.010) 8.333 11.567 ( -3.630 -0.492 -7.341) 8.204 11.683 ( -0.513 3.173 7.784) 8.421 11.846 ( 0.524 4.032 13.846) 14.431 11.930 ( -2.519 -0.702 -4.934) 5.584 12.526 ( -2.293 4.976 -4.135) 6.864 12.691 ( -0.830 3.940 -10.943) 11.660 12.935 ( -3.708 -5.209 3.447) 7.264 13.312 ( 6.745 5.268 3.235) 9.149 15.467 ( 1.126 -7.841 3.757) 8.767 15.616 ( 0.377 -9.428 -3.237) 9.975 20.965 ( -4.054 1.431 2.896) 5.184 21.201 ( -4.448 2.144 -0.182) 4.941 21.260 ( 3.734 2.465 -2.358) 5.058 21.380 ( 2.696 -0.097 -0.883) 2.839 21.467 ( -5.427 5.130 0.971) 7.531 21.774 ( 8.893 5.802 -0.876) 10.655 22.137 ( 0.239 -4.471 1.458) 4.709 22.179 ( 0.327 -3.808 -1.740) 4.199 24.332 ( -4.659 10.854 1.466) 11.902 24.600 ( 5.387 1.995 -1.148) 5.859 24.895 ( -3.546 2.688 -0.935) 4.547 25.068 ( 3.073 2.463 0.736) 4.007 26.315 ( -7.040 -5.569 0.791) 9.011 26.585 ( 3.006 -5.921 -0.269) 6.645 ======================= Grid point 167 (75/117) ======================= q-point: (-0.20 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( -0.601 -3.244 0.760) 3.385 1.890 ( -4.645 -13.678 4.240) 15.055 2.065 ( -7.283 0.464 1.940) 7.551 2.394 ( -0.477 5.153 2.041) 5.563 2.503 ( 0.603 3.049 0.735) 3.194 2.747 ( -11.402 0.199 -3.193) 11.842 2.750 ( -3.370 2.311 -8.685) 9.598 2.825 ( -8.477 11.927 -4.389) 15.277 3.047 ( -7.138 -0.912 6.312) 9.572 3.119 ( -11.953 0.500 -2.429) 12.208 3.184 ( -8.417 -6.986 2.221) 11.161 3.327 ( 4.146 0.636 2.258) 4.763 3.511 ( 1.456 1.825 -4.209) 4.813 3.686 ( -5.236 -0.610 -0.539) 5.299 3.811 ( -7.397 5.095 -1.583) 9.120 4.101 ( 1.705 -0.268 3.570) 3.965 4.141 ( -10.387 -8.424 6.455) 14.850 4.259 ( 12.448 2.543 4.737) 13.560 4.390 ( -0.789 1.966 -2.557) 3.321 4.540 ( -2.871 -5.649 -3.820) 7.399 4.629 ( -6.700 -6.420 -1.804) 9.453 4.848 ( -5.312 -1.158 -0.430) 5.453 5.065 ( -5.983 -8.210 5.600) 11.600 5.082 ( -0.352 9.236 1.356) 9.342 5.331 ( 8.205 3.657 -4.440) 10.020 5.457 ( -0.133 10.454 -1.130) 10.516 5.755 ( 6.363 -7.887 -1.857) 10.302 5.892 ( -1.179 -0.066 0.806) 1.430 6.292 ( 8.202 1.188 -3.796) 9.115 6.428 ( -3.713 12.089 -8.191) 15.068 6.604 ( 16.251 7.239 8.141) 19.565 6.782 ( 18.461 -1.373 1.555) 18.577 7.130 ( -17.569 -4.706 -2.830) 18.407 7.311 ( -4.835 12.854 5.041) 14.630 7.453 ( -14.120 -11.944 2.542) 18.668 7.635 ( -5.235 2.009 0.757) 5.658 7.871 ( 0.628 -4.152 5.348) 6.800 7.937 ( 2.889 3.070 -2.725) 5.020 8.134 ( 6.709 5.310 9.284) 12.625 8.527 ( 2.337 2.770 7.190) 8.051 8.616 ( 2.822 -1.610 -12.716) 13.125 8.703 ( -1.458 -2.796 -11.647) 12.067 9.170 ( 2.190 2.824 2.844) 4.567 9.240 ( 5.724 -6.611 -3.493) 9.416 9.689 ( -1.327 1.586 -2.984) 3.630 10.113 ( -0.025 -8.020 3.394) 8.709 10.349 ( -0.102 5.914 1.023) 6.003 10.910 ( 2.786 -13.993 -0.718) 14.286 11.507 ( 0.692 3.057 -5.798) 6.591 11.607 ( -5.548 4.103 8.303) 10.796 11.796 ( -2.675 1.050 11.756) 12.102 11.972 ( -0.021 -3.524 -3.424) 4.913 12.409 ( -2.924 4.004 -1.952) 5.329 12.551 ( -1.555 6.270 -13.083) 14.591 12.953 ( -0.377 3.324 3.082) 4.548 13.276 ( 1.409 2.737 3.085) 4.358 15.626 ( 1.084 -7.199 0.876) 7.332 15.791 ( 2.029 -8.748 -0.564) 8.997 20.889 ( -4.736 2.014 -0.340) 5.158 21.111 ( -4.005 1.823 -1.308) 4.591 21.283 ( 3.064 -0.567 0.095) 3.118 21.366 ( -2.552 2.166 2.756) 4.336 21.419 ( 3.079 -0.853 -0.242) 3.204 21.742 ( 7.554 6.957 -1.061) 10.324 22.168 ( -0.385 0.495 0.583) 0.857 22.228 ( -0.220 -1.550 -0.507) 1.645 24.086 ( -7.765 8.433 1.941) 11.627 24.590 ( 5.841 4.194 -4.017) 8.237 24.867 ( -2.479 -1.707 -0.173) 3.015 25.073 ( 3.349 0.811 1.679) 3.833 26.350 ( -5.690 -5.344 0.148) 7.807 26.700 ( 2.850 -3.272 0.295) 4.349 ======================= Grid point 168 (76/117) ======================= q-point: (-0.10 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( -2.842 5.725 1.251) 6.513 1.968 ( -7.196 -0.983 -0.085) 7.264 2.097 ( -4.627 -7.547 0.817) 8.890 2.304 ( 1.207 -0.221 -1.676) 2.077 2.459 ( -2.811 6.462 -2.297) 7.412 2.549 ( -0.910 4.875 5.256) 7.226 2.635 ( -7.352 1.447 0.572) 7.514 2.657 ( -8.025 -0.777 -7.174) 10.792 2.940 ( -5.716 2.651 3.820) 7.368 3.057 ( -3.879 0.983 -4.808) 6.256 3.215 ( -6.640 -0.312 0.983) 6.720 3.221 ( -5.784 0.802 2.747) 6.454 3.508 ( 3.008 0.592 -1.301) 3.330 3.665 ( -0.550 3.968 -0.410) 4.027 3.804 ( 5.572 -3.044 -0.853) 6.406 4.095 ( -0.773 3.067 0.474) 3.198 4.118 ( -9.993 -3.232 0.385) 10.510 4.249 ( -0.083 1.765 6.198) 6.445 4.420 ( 5.069 -4.391 -1.454) 6.862 4.610 ( -0.355 4.091 -1.778) 4.475 4.754 ( -3.124 -10.749 -0.223) 11.196 4.856 ( 4.834 9.002 1.795) 10.374 4.971 ( -1.422 -11.093 -0.989) 11.228 5.125 ( -3.698 -0.015 5.681) 6.779 5.194 ( -1.001 3.494 -0.291) 3.647 5.531 ( 6.450 -3.088 -5.725) 9.161 5.870 ( -2.120 -0.019 -2.510) 3.286 5.981 ( 3.905 -8.749 0.679) 9.605 6.124 ( -1.661 10.780 -4.654) 11.859 6.344 ( 2.735 0.776 0.418) 2.874 6.655 ( 11.453 3.979 5.611) 13.360 6.955 ( -7.825 6.625 -2.878) 10.650 6.982 ( 11.803 5.177 1.471) 12.972 7.080 ( -0.348 3.702 4.582) 5.901 7.436 ( -14.358 -2.962 0.273) 14.663 7.565 ( -10.766 -3.843 -5.116) 12.524 7.879 ( -2.501 -0.281 4.140) 4.845 7.949 ( 2.710 2.114 0.629) 3.494 8.137 ( 6.559 3.820 5.441) 9.339 8.486 ( -2.867 3.707 8.924) 10.080 8.669 ( 4.082 -3.485 -12.198) 13.326 8.717 ( 0.740 -3.945 -10.633) 11.365 9.153 ( 2.721 1.865 5.050) 6.033 9.475 ( 8.749 -5.598 -2.714) 10.735 9.680 ( 1.750 -3.667 0.378) 4.081 10.119 ( -10.647 1.332 5.050) 11.859 10.325 ( 4.300 0.487 -0.994) 4.440 11.183 ( 2.287 -11.841 -4.642) 12.922 11.410 ( -1.826 7.040 7.052) 10.130 11.568 ( 0.595 -3.012 -3.401) 4.582 11.810 ( 0.706 1.506 8.212) 8.379 11.996 ( -3.811 -3.517 -5.126) 7.291 12.345 ( -2.415 -1.079 2.377) 3.556 12.379 ( -0.743 7.636 -10.967) 13.385 12.839 ( -0.241 8.243 3.458) 8.942 13.269 ( -0.264 0.168 1.898) 1.924 15.735 ( 0.634 -3.990 -2.363) 4.681 15.942 ( 1.928 -5.023 2.319) 5.859 20.818 ( -2.584 1.113 -1.325) 3.110 21.058 ( -3.230 -0.525 -3.063) 4.482 21.295 ( -0.426 0.396 0.010) 0.582 21.374 ( 1.950 -1.098 5.892) 6.303 21.459 ( 2.171 -0.228 0.267) 2.199 21.671 ( 3.660 6.175 -1.305) 7.296 22.144 ( -0.287 1.341 0.587) 1.492 22.231 ( -0.740 0.022 -0.225) 0.773 23.923 ( -4.703 3.164 2.003) 6.011 24.558 ( 4.776 3.762 -4.523) 7.578 24.867 ( -3.943 -1.920 -2.666) 5.132 25.111 ( 3.290 -0.189 3.868) 5.081 26.391 ( -2.978 -3.825 -0.320) 4.858 26.758 ( 1.671 -0.658 0.656) 1.912 ======================= Grid point 175 (77/117) ======================= q-point: (-0.40 -0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( 7.121 0.000 15.913) 17.434 1.783 ( -12.083 -0.000 -19.459) 22.906 2.147 ( -10.432 -0.000 7.129) 12.636 2.289 ( -2.808 -0.000 0.844) 2.932 2.417 ( -13.683 -0.000 -10.705) 17.373 2.563 ( -4.406 -0.000 0.211) 4.411 2.600 ( 4.923 0.000 4.852) 6.912 2.807 ( -2.021 -0.000 2.227) 3.007 2.858 ( 0.164 0.000 9.818) 9.820 3.199 ( -1.414 -0.000 -4.058) 4.297 3.391 ( -0.774 -0.000 4.441) 4.508 3.623 ( 2.757 0.000 -0.873) 2.891 3.624 ( 0.586 0.000 -0.399) 0.709 3.695 ( -3.018 -0.000 -1.611) 3.421 3.973 ( -4.732 -0.000 2.128) 5.189 4.111 ( 0.303 0.000 -8.149) 8.154 4.198 ( -2.816 -0.000 -15.221) 15.480 4.246 ( -7.220 -0.000 3.335) 7.953 4.462 ( -11.309 -0.000 15.862) 19.481 4.483 ( 1.017 0.000 -7.111) 7.184 4.501 ( 4.795 0.000 11.888) 12.819 4.757 ( -20.709 -0.000 -7.655) 22.078 5.086 ( -21.708 -0.000 10.435) 24.086 5.320 ( 10.904 0.000 -4.188) 11.681 5.479 ( -10.530 -0.000 6.422) 12.334 5.718 ( 0.910 0.000 -9.249) 9.294 6.112 ( -3.886 -0.000 -5.679) 6.881 6.149 ( 0.781 0.000 3.068) 3.165 6.207 ( 7.107 0.000 1.113) 7.193 6.233 ( 18.369 0.000 -9.764) 20.803 6.612 ( -5.066 -0.000 -0.279) 5.074 6.666 ( 1.118 0.000 1.613) 1.963 6.998 ( 3.291 0.000 -2.211) 3.965 7.138 ( 7.186 0.000 2.946) 7.766 7.361 ( -1.302 -0.000 -5.447) 5.601 7.430 ( 6.529 0.000 6.293) 9.068 7.973 ( -3.352 -0.000 9.390) 9.970 8.045 ( -1.581 -0.000 14.295) 14.382 8.265 ( 6.986 0.000 7.443) 10.208 8.411 ( 11.740 0.000 4.659) 12.631 8.648 ( 0.334 0.000 -14.191) 14.195 8.774 ( 0.002 0.000 -15.326) 15.326 9.222 ( 3.777 0.000 3.092) 4.881 9.311 ( -0.832 -0.000 -11.229) 11.259 9.751 ( 3.105 0.000 8.344) 8.903 9.886 ( -1.023 -0.000 1.125) 1.521 10.469 ( -11.422 -0.000 4.045) 12.117 10.615 ( -0.761 -0.000 -10.329) 10.357 11.402 ( -12.578 -0.000 -3.178) 12.974 11.780 ( -1.422 -0.000 1.545) 2.100 11.955 ( 2.456 0.000 13.157) 13.384 12.051 ( 8.595 0.000 -0.726) 8.625 12.632 ( -7.402 -0.000 -5.253) 9.077 12.654 ( -15.058 -0.000 0.037) 15.058 12.835 ( 7.235 0.000 -1.734) 7.440 13.442 ( 13.343 0.000 0.900) 13.374 15.302 ( -0.025 -0.000 2.975) 2.975 15.397 ( -1.156 -0.000 -2.727) 2.962 20.994 ( -3.667 -0.000 5.681) 6.762 21.225 ( -1.322 -0.000 -2.133) 2.510 21.330 ( 1.236 0.000 -0.377) 1.292 21.397 ( 0.273 0.000 -3.334) 3.345 21.766 ( -2.838 -0.000 -2.577) 3.834 21.804 ( -1.957 -0.000 1.982) 2.785 21.998 ( 5.387 0.000 1.416) 5.570 22.004 ( 4.586 0.000 -1.628) 4.866 24.577 ( 0.852 0.000 -3.819) 3.913 24.605 ( 5.304 0.000 3.765) 6.505 25.101 ( 2.268 0.000 3.868) 4.484 25.110 ( -3.706 -0.000 -3.199) 4.896 26.176 ( -7.063 -0.000 1.667) 7.258 26.397 ( -1.686 -0.000 -1.333) 2.149 ======================= Grid point 176 (78/117) ======================= q-point: (-0.30 -0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( 0.822 -3.213 3.599) 4.894 1.589 ( -12.560 -2.131 -11.081) 16.884 2.070 ( -8.631 -0.170 6.323) 10.700 2.291 ( -4.582 -6.521 -1.004) 8.033 2.432 ( -11.082 -13.998 -9.982) 20.455 2.589 ( -4.156 -6.720 -6.048) 9.950 2.659 ( 4.773 1.025 4.111) 6.382 2.841 ( -2.352 -6.200 8.144) 10.502 2.942 ( -1.607 -5.510 12.683) 13.921 3.126 ( -3.921 4.892 -0.449) 6.286 3.348 ( -10.074 5.730 1.864) 11.738 3.496 ( -2.405 6.908 -5.305) 9.036 3.615 ( -8.011 -1.661 -2.499) 8.555 3.717 ( 4.440 6.945 -6.315) 10.384 3.738 ( -9.912 3.718 3.115) 11.035 4.005 ( -11.023 3.447 -3.800) 12.158 4.131 ( -10.272 -4.232 0.900) 11.146 4.189 ( -3.713 1.154 1.459) 4.153 4.410 ( -3.820 -0.194 1.294) 4.038 4.561 ( -10.878 -1.469 4.084) 11.712 4.609 ( 6.341 -11.007 -7.430) 14.717 4.666 ( 2.493 -6.410 2.549) 7.335 4.913 ( -21.095 0.054 9.190) 23.010 5.126 ( -2.314 16.770 -1.374) 16.985 5.528 ( -1.484 -4.500 0.357) 4.752 5.728 ( 4.103 0.428 -5.193) 6.632 5.820 ( 3.259 12.502 -3.396) 13.359 6.167 ( 4.026 9.772 4.727) 11.578 6.351 ( 7.022 -1.317 -6.623) 9.742 6.485 ( 9.436 -13.360 1.681) 16.442 6.557 ( -10.643 -3.799 0.132) 11.301 6.781 ( -5.218 -7.943 -0.704) 9.530 6.959 ( 11.997 7.741 -4.004) 14.828 7.164 ( 6.837 3.532 3.671) 8.527 7.476 ( 1.849 -11.381 -5.920) 12.961 7.579 ( 4.955 -5.007 5.027) 8.654 7.848 ( -1.320 11.864 10.352) 15.801 8.054 ( -2.559 1.313 13.199) 13.509 8.352 ( 7.889 2.589 5.844) 10.153 8.526 ( 5.098 -0.657 -2.322) 5.641 8.641 ( 4.670 -1.186 -8.131) 9.452 8.697 ( 0.757 3.137 -13.812) 14.184 9.169 ( 0.459 4.532 -3.076) 5.497 9.351 ( 3.623 0.406 -1.692) 4.019 9.779 ( 1.471 1.304 0.817) 2.129 9.851 ( -1.016 0.053 2.660) 2.848 10.437 ( -12.899 -7.975 -0.081) 15.166 10.540 ( -1.128 2.130 -2.595) 3.542 11.384 ( -7.172 -8.970 -8.060) 14.031 11.755 ( -0.777 1.547 0.953) 1.976 11.950 ( -5.630 5.867 20.178) 21.755 12.029 ( 7.304 7.930 1.032) 10.830 12.534 ( -5.692 1.884 -3.971) 7.191 12.599 ( -9.248 -6.901 -6.569) 13.278 12.901 ( 7.205 0.123 -0.652) 7.235 13.508 ( 9.259 6.218 0.886) 11.189 15.362 ( 0.622 -5.537 2.772) 6.223 15.449 ( -0.591 -7.509 -2.540) 7.948 20.950 ( -5.712 1.118 3.525) 6.804 21.197 ( -1.782 1.474 -0.500) 2.366 21.333 ( 2.612 1.810 -1.827) 3.665 21.389 ( 0.528 -0.375 -1.343) 1.491 21.542 ( -4.513 9.499 -0.418) 10.525 21.965 ( 9.209 4.516 -0.463) 10.268 21.991 ( -1.618 -10.503 0.471) 10.637 22.131 ( 3.733 -3.363 -0.530) 5.052 24.502 ( -0.001 9.461 -1.042) 9.518 24.677 ( 6.014 0.079 3.067) 6.752 24.932 ( -5.597 7.741 -2.743) 9.938 25.144 ( 2.539 1.427 1.421) 3.240 26.146 ( -8.092 -4.561 0.870) 9.330 26.458 ( -1.476 -8.559 -0.747) 8.718 ======================= Grid point 177 (79/117) ======================= q-point: (-0.20 -0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( -10.642 -13.926 0.313) 17.530 1.643 ( 2.313 -5.316 -1.830) 6.080 2.007 ( -7.301 0.192 4.363) 8.508 2.381 ( -2.912 -6.189 0.042) 6.840 2.541 ( -10.524 2.398 -12.180) 16.275 2.573 ( -10.892 -14.063 -5.774) 18.702 2.684 ( 1.118 2.078 2.351) 3.331 2.863 ( -13.997 9.279 5.971) 17.823 2.940 ( -11.629 1.828 -2.148) 11.966 2.997 ( -4.899 -0.299 8.565) 9.872 3.179 ( -4.011 2.038 0.839) 4.576 3.321 ( 5.273 -1.112 -2.276) 5.850 3.554 ( -2.931 -0.602 -6.004) 6.708 3.589 ( -6.106 0.315 -0.488) 6.134 3.762 ( -7.003 -1.732 1.363) 7.341 3.877 ( -13.727 -7.758 3.530) 16.158 4.103 ( -3.970 1.257 0.082) 4.165 4.195 ( -4.474 -7.047 0.867) 8.392 4.375 ( -7.352 -4.483 1.727) 8.782 4.490 ( -5.766 4.172 3.618) 7.984 4.692 ( -1.875 10.814 1.716) 11.109 4.787 ( -5.185 0.014 6.925) 8.651 4.885 ( -2.075 -13.360 -7.525) 15.473 4.925 ( 4.077 -5.408 -2.133) 7.101 5.575 ( 0.778 -0.091 -0.094) 0.789 5.634 ( 6.539 10.114 -2.849) 12.377 5.778 ( 7.926 2.512 -5.791) 10.132 5.998 ( 1.306 12.047 7.523) 14.263 6.368 ( 1.141 1.446 -1.645) 2.469 6.483 ( -7.225 1.554 -4.637) 8.724 6.775 ( -10.364 -11.362 -1.614) 15.464 6.861 ( 7.482 -7.230 -0.691) 10.427 6.961 ( 15.733 8.833 2.792) 18.258 7.190 ( -1.729 -0.960 3.180) 3.745 7.525 ( -2.847 8.399 0.309) 8.874 7.659 ( -1.110 5.432 3.946) 6.805 7.773 ( 4.778 -7.330 4.176) 9.695 7.995 ( -4.874 4.282 7.739) 10.099 8.359 ( 8.406 5.489 3.252) 10.553 8.547 ( 0.921 -1.323 -7.475) 7.647 8.632 ( 1.536 0.721 -9.085) 9.242 8.692 ( 5.583 2.661 -1.951) 6.485 9.172 ( 6.683 -3.952 -3.394) 8.474 9.312 ( 3.941 5.962 3.186) 7.824 9.713 ( -0.061 3.567 -6.021) 6.998 9.954 ( -2.547 -8.818 3.686) 9.891 10.403 ( -5.898 0.154 -2.569) 6.435 10.632 ( -2.251 -12.732 3.890) 13.502 11.448 ( -2.806 -5.506 -9.799) 11.584 11.706 ( -4.214 5.559 6.233) 9.355 11.783 ( -6.655 2.491 7.732) 10.501 12.012 ( 5.463 4.301 7.637) 10.328 12.426 ( -5.833 2.863 -1.812) 6.745 12.583 ( -0.896 1.009 -12.184) 12.259 12.987 ( 5.361 -1.787 2.086) 6.024 13.415 ( 2.385 10.094 1.848) 10.535 15.506 ( 1.584 -7.946 0.315) 8.108 15.629 ( 2.064 -11.237 -0.139) 11.426 20.866 ( -6.320 1.598 0.445) 6.534 21.118 ( -3.687 3.869 0.782) 5.401 21.321 ( 2.596 1.052 -2.683) 3.879 21.377 ( -2.905 2.590 1.283) 4.098 21.433 ( 2.168 -0.592 -0.319) 2.269 21.944 ( 7.311 6.577 -0.022) 9.834 22.152 ( 0.609 -5.436 1.184) 5.597 22.189 ( 1.890 -0.539 -1.238) 2.322 24.217 ( -7.731 14.561 1.702) 16.574 24.716 ( 6.920 3.489 -2.190) 8.053 24.817 ( -3.568 -0.256 -1.001) 3.715 25.136 ( 3.020 2.152 1.448) 3.981 26.178 ( -6.562 -6.804 0.326) 9.459 26.616 ( 0.094 -8.375 -0.286) 8.381 ======================= Grid point 178 (80/117) ======================= q-point: (-0.10 -0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( 4.990 -0.578 -6.034) 7.851 1.802 ( -7.585 -18.006 9.575) 21.758 1.917 ( -8.699 1.753 1.278) 8.966 2.306 ( -6.008 3.484 -3.557) 7.803 2.423 ( -9.874 -4.749 -2.384) 11.213 2.539 ( -9.897 5.579 -0.773) 11.388 2.630 ( -5.145 2.010 -1.270) 5.668 2.660 ( -2.615 1.506 1.335) 3.300 2.812 ( -7.914 -6.511 -6.491) 12.131 2.945 ( -3.871 2.232 2.664) 5.202 3.162 ( -1.063 1.335 2.787) 3.268 3.340 ( -3.862 7.570 -2.313) 8.808 3.544 ( 0.095 -1.441 -0.323) 1.480 3.599 ( -3.963 -4.801 1.108) 6.323 3.761 ( 3.544 -7.371 -1.144) 8.258 3.924 ( -10.757 -3.400 4.406) 12.111 4.116 ( -3.630 -1.783 3.855) 5.587 4.275 ( -8.392 1.859 -1.669) 8.756 4.324 ( -10.628 -16.309 -0.749) 19.480 4.460 ( -5.980 -6.947 2.283) 9.446 4.591 ( 8.406 0.593 0.260) 8.431 4.765 ( -3.696 -1.331 -0.089) 3.929 5.015 ( -2.031 -6.263 -1.010) 6.661 5.096 ( 2.863 -2.163 0.168) 3.592 5.454 ( 4.141 16.559 4.569) 17.670 5.585 ( 12.420 3.014 -5.645) 13.972 5.821 ( 2.187 -2.523 -2.416) 4.122 5.910 ( 2.142 -0.475 0.966) 2.397 6.302 ( -2.314 10.609 -6.564) 12.689 6.365 ( -2.847 -0.836 2.919) 4.162 6.719 ( -19.617 -4.813 -3.823) 20.558 6.911 ( 5.687 10.178 5.991) 13.108 7.091 ( -11.853 -1.500 3.747) 12.521 7.166 ( 13.662 -4.388 1.675) 14.447 7.378 ( 5.305 8.297 1.753) 10.003 7.493 ( -6.714 6.482 -2.926) 9.781 7.856 ( -5.978 2.658 6.764) 9.410 7.953 ( 2.907 -3.044 -1.427) 4.445 8.364 ( 9.438 5.692 3.632) 11.605 8.551 ( -1.210 2.157 3.319) 4.139 8.624 ( 2.910 -1.427 -9.851) 10.370 8.694 ( 5.764 0.536 -7.190) 9.231 9.258 ( 5.533 3.393 1.731) 6.717 9.460 ( 16.919 -10.327 0.916) 19.843 9.634 ( -3.699 1.553 -3.425) 5.275 10.032 ( -7.277 -2.760 4.163) 8.826 10.341 ( -4.332 0.257 -0.596) 4.380 10.889 ( -2.353 -16.198 -1.049) 16.402 11.470 ( -9.589 0.148 7.437) 12.136 11.553 ( 3.919 2.104 -1.675) 4.753 11.821 ( 0.303 -5.746 -4.611) 7.374 11.965 ( -0.819 6.401 3.436) 7.310 12.323 ( -4.031 1.853 1.474) 4.675 12.496 ( 3.340 6.126 -9.136) 11.495 13.017 ( 4.384 6.683 2.729) 8.446 13.273 ( -2.896 3.562 1.695) 4.893 15.654 ( 2.477 -6.079 -2.081) 6.886 15.847 ( 2.770 -8.940 2.043) 9.580 20.791 ( -4.332 0.156 -1.023) 4.454 21.027 ( -3.520 1.783 0.016) 3.946 21.314 ( 0.665 1.433 0.136) 1.585 21.358 ( 0.071 -2.009 -0.195) 2.020 21.475 ( 2.217 -0.877 0.289) 2.402 21.843 ( 0.777 9.797 1.168) 9.897 22.176 ( 0.873 1.724 0.525) 2.002 22.217 ( 0.224 -0.962 -0.410) 1.070 23.967 ( -4.149 5.940 2.240) 7.584 24.683 ( 5.766 5.480 -7.079) 10.648 24.799 ( -3.985 -0.726 1.453) 4.304 25.151 ( 2.848 0.266 2.385) 3.724 26.256 ( -3.578 -7.318 0.099) 8.147 26.727 ( -0.347 -4.075 -0.131) 4.092 ======================= Grid point 186 (81/117) ======================= q-point: (-0.30 -0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( -22.573 -0.000 -13.264) 26.182 1.425 ( -6.170 -0.000 -2.052) 6.502 2.010 ( -5.927 -0.000 5.834) 8.317 2.111 ( -4.592 -0.000 -10.234) 11.217 2.214 ( -5.257 -0.000 -3.900) 6.546 2.455 ( -5.892 -0.000 1.064) 5.987 2.738 ( 5.716 0.000 6.560) 8.701 2.743 ( -4.859 -0.000 0.514) 4.886 2.950 ( -0.106 -0.000 12.033) 12.033 3.156 ( -5.346 -0.000 4.823) 7.200 3.308 ( -13.500 -0.000 6.361) 14.924 3.431 ( -17.054 -0.000 -1.871) 17.156 3.559 ( -4.221 -0.000 -10.348) 11.176 3.616 ( -14.808 -0.000 6.154) 16.036 3.861 ( -15.995 -0.000 2.390) 16.172 3.938 ( -3.040 -0.000 -5.497) 6.282 4.012 ( -5.353 -0.000 -8.546) 10.084 4.098 ( -9.145 -0.000 -10.933) 14.253 4.203 ( -0.909 -0.000 3.032) 3.165 4.403 ( -1.172 -0.000 -7.940) 8.026 4.619 ( -2.138 -0.000 -0.396) 2.175 4.674 ( -3.455 -0.000 8.220) 8.916 4.809 ( -3.674 -0.000 18.494) 18.855 5.267 ( -13.345 -0.000 9.330) 16.284 5.500 ( 10.671 0.000 -13.094) 16.892 5.726 ( 3.751 0.000 -9.769) 10.465 5.926 ( -9.642 -0.000 -4.405) 10.601 6.136 ( -3.049 -0.000 2.990) 4.271 6.337 ( -5.033 -0.000 8.386) 9.780 6.539 ( 10.636 0.000 -3.682) 11.255 6.565 ( 9.188 0.000 4.516) 10.238 6.639 ( -1.029 -0.000 1.332) 1.683 7.139 ( 10.689 0.000 -4.785) 11.711 7.327 ( 4.272 0.000 -2.373) 4.887 7.402 ( 13.479 0.000 -4.702) 14.276 7.580 ( 5.754 0.000 3.993) 7.004 7.988 ( -0.971 -0.000 9.071) 9.123 8.076 ( -3.378 -0.000 14.001) 14.403 8.417 ( 3.589 0.000 0.186) 3.594 8.594 ( 1.556 0.000 -1.364) 2.069 8.637 ( 7.401 0.000 -7.654) 10.647 8.730 ( 5.715 0.000 -9.531) 11.113 9.276 ( 2.860 0.000 -8.876) 9.326 9.316 ( 1.698 0.000 4.979) 5.260 9.818 ( -2.121 -0.000 4.631) 5.094 9.857 ( -1.370 -0.000 -0.831) 1.602 10.205 ( -12.710 -0.000 4.169) 13.376 10.549 ( 1.555 0.000 -17.550) 17.619 11.183 ( -6.938 -0.000 -4.081) 8.049 11.751 ( -2.457 -0.000 -0.551) 2.518 12.020 ( -8.299 -0.000 30.810) 31.908 12.219 ( 4.535 0.000 3.079) 5.482 12.357 ( -9.933 -0.000 -7.325) 12.342 12.498 ( -1.102 -0.000 -4.853) 4.977 12.982 ( 7.640 0.000 -2.448) 8.023 13.676 ( 10.224 0.000 -1.375) 10.316 15.316 ( -0.033 -0.000 2.288) 2.288 15.354 ( -1.764 -0.000 -2.211) 2.829 20.903 ( -7.499 -0.000 3.250) 8.173 21.206 ( 0.292 0.000 -0.189) 0.348 21.370 ( -0.939 -0.000 -3.007) 3.150 21.378 ( 3.234 0.000 0.194) 3.240 21.677 ( -4.339 -0.000 -3.693) 5.698 21.774 ( -1.801 -0.000 2.413) 3.010 22.110 ( 6.535 0.000 -1.244) 6.652 22.139 ( 7.714 0.000 0.660) 7.742 24.615 ( 4.890 0.000 -3.670) 6.114 24.742 ( 4.502 0.000 5.721) 7.280 24.992 ( -5.979 -0.000 -2.827) 6.614 25.162 ( 2.110 0.000 2.402) 3.197 26.016 ( -8.941 -0.000 0.776) 8.975 26.310 ( -6.258 -0.000 -1.900) 6.541 ======================= Grid point 187 (82/117) ======================= q-point: (-0.20 -0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( -20.259 -8.085 -0.315) 21.815 1.476 ( -8.736 -14.984 -4.808) 17.999 1.970 ( -3.979 1.579 2.307) 4.863 2.124 ( -4.936 -6.266 -6.449) 10.258 2.252 ( -7.111 -9.468 -10.792) 16.021 2.434 ( -7.288 -2.378 -2.047) 7.935 2.750 ( -7.734 -6.833 0.024) 10.320 2.792 ( 2.966 2.847 3.228) 5.227 2.917 ( -13.325 4.629 13.255) 19.357 2.992 ( -11.940 4.415 13.045) 18.227 3.141 ( -7.461 1.825 3.210) 8.325 3.250 ( -28.862 -6.280 5.496) 30.044 3.383 ( -5.171 4.408 -16.276) 17.637 3.557 ( -4.638 -3.555 -2.882) 6.515 3.678 ( -3.605 2.709 -4.157) 6.133 3.829 ( 2.042 6.176 -2.708) 7.046 4.019 ( -7.450 -6.769 -4.347) 10.964 4.062 ( -6.914 -0.432 1.219) 7.034 4.203 ( -10.966 1.399 1.087) 11.108 4.467 ( 2.651 -8.867 -2.809) 9.672 4.596 ( -5.620 -4.163 -2.452) 7.412 4.726 ( -0.343 -3.759 11.193) 11.813 4.839 ( 0.415 1.435 12.259) 12.350 5.048 ( -3.451 10.680 0.439) 11.233 5.549 ( 4.459 -1.748 -9.984) 11.073 5.727 ( -1.549 1.073 -11.571) 11.724 5.848 ( 0.208 -0.867 1.077) 1.398 6.188 ( -6.791 -5.234 2.778) 9.013 6.258 ( -7.411 2.497 7.574) 10.887 6.485 ( 5.982 6.014 -1.418) 8.600 6.643 ( -1.090 1.447 0.689) 1.938 6.827 ( 13.327 -6.498 5.113) 15.683 7.205 ( 11.946 3.078 -3.291) 12.768 7.302 ( 1.782 5.102 -3.480) 6.428 7.516 ( 5.384 -0.717 -3.219) 6.314 7.713 ( 5.833 -4.221 1.322) 7.321 7.903 ( 1.142 9.606 10.199) 14.057 8.045 ( -3.704 3.287 9.068) 10.332 8.448 ( 2.436 -0.244 -1.521) 2.882 8.544 ( 1.659 2.203 -6.564) 7.120 8.702 ( 6.276 3.734 -6.654) 9.879 8.758 ( 4.156 0.008 -0.831) 4.239 9.188 ( 2.823 1.451 -1.354) 3.451 9.449 ( 4.801 -1.980 1.387) 5.376 9.723 ( -6.936 1.667 -2.219) 7.471 9.846 ( 1.380 0.741 -0.961) 1.838 10.187 ( -8.867 -7.004 -2.404) 11.552 10.543 ( 2.210 -2.846 -3.654) 5.131 11.234 ( -2.835 -10.210 -9.566) 14.276 11.695 ( -5.397 1.344 -3.462) 6.552 11.871 ( -11.778 9.729 22.924) 27.548 12.191 ( 4.006 5.974 6.484) 9.684 12.332 ( -9.923 -4.965 1.643) 11.217 12.551 ( 6.279 -2.443 -6.052) 9.056 13.039 ( 6.459 0.454 -0.833) 6.528 13.662 ( 6.804 10.729 -1.459) 12.788 15.378 ( 0.363 -6.906 -0.370) 6.926 15.445 ( 0.938 -10.298 0.344) 10.347 20.821 ( -7.934 0.993 1.397) 8.117 21.183 ( -0.036 4.194 2.811) 5.049 21.332 ( -0.948 1.171 -5.274) 5.485 21.425 ( 2.431 -0.245 0.584) 2.512 21.456 ( -3.579 7.195 -0.912) 8.088 21.965 ( -1.011 -10.791 0.189) 10.839 22.145 ( 8.634 2.325 -0.162) 8.943 22.222 ( 5.473 0.078 -0.256) 5.479 24.466 ( -5.292 19.684 0.398) 20.387 24.775 ( -4.519 -0.006 3.304) 5.598 24.840 ( 5.599 3.853 -3.779) 7.777 25.207 ( 3.140 1.052 1.148) 3.505 25.990 ( -7.279 -5.894 0.230) 9.369 26.388 ( -4.749 -13.733 -2.266) 14.706 ======================= Grid point 188 (83/117) ======================= q-point: (-0.10 -0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( -8.486 -25.120 10.625) 28.564 1.688 ( 1.929 -9.525 -4.063) 10.533 1.859 ( -9.786 2.466 -2.580) 10.417 2.134 ( -20.389 -7.246 5.070) 22.224 2.201 ( -10.631 -2.445 -8.148) 13.616 2.433 ( -1.646 -5.492 -5.632) 8.037 2.617 ( -7.996 4.673 -7.762) 12.084 2.644 ( -9.258 4.849 2.736) 10.803 2.857 ( 2.655 3.498 3.711) 5.749 2.947 ( -3.720 0.994 0.913) 3.958 3.134 ( -18.070 -6.315 -0.883) 19.162 3.167 ( -6.339 -10.346 12.031) 17.087 3.441 ( -2.405 -9.042 3.867) 10.125 3.589 ( 3.535 -4.765 -8.989) 10.771 3.676 ( -5.457 -10.970 -2.465) 12.497 3.695 ( 0.028 7.542 -2.874) 8.072 3.946 ( -11.408 -1.762 3.059) 11.942 4.077 ( -8.933 -0.536 2.266) 9.232 4.106 ( -9.057 -6.462 -1.450) 11.220 4.504 ( -1.537 6.325 3.993) 7.636 4.599 ( -8.916 -1.638 3.793) 9.826 4.761 ( 3.749 0.849 -3.698) 5.334 4.863 ( 0.370 -6.491 3.028) 7.172 5.041 ( 4.509 -4.397 -0.861) 6.356 5.609 ( 2.144 -2.640 -5.252) 6.258 5.676 ( 0.320 0.205 -4.429) 4.445 5.889 ( 3.120 -1.768 -3.617) 5.093 6.091 ( 1.923 12.368 12.807) 17.907 6.230 ( -10.302 -5.422 -0.688) 11.662 6.411 ( 4.296 8.228 -1.224) 9.362 6.533 ( -8.695 5.067 -4.010) 10.833 7.021 ( 2.036 4.340 6.224) 7.856 7.160 ( 1.142 1.542 -1.345) 2.343 7.248 ( 6.865 3.980 -0.741) 7.970 7.477 ( -1.702 4.649 -3.020) 5.799 7.667 ( 0.398 8.582 -0.633) 8.614 7.914 ( 4.947 3.714 9.491) 11.329 7.951 ( 0.155 2.211 3.589) 4.218 8.479 ( 4.339 -0.565 -1.000) 4.489 8.557 ( 4.475 -0.803 -5.640) 7.244 8.657 ( 3.399 3.126 -4.335) 6.334 8.761 ( 1.887 2.151 -0.225) 2.871 9.326 ( 6.650 -7.336 -1.907) 10.083 9.478 ( 8.403 2.576 5.820) 10.541 9.652 ( -1.188 -0.042 -8.129) 8.215 9.901 ( -2.269 -5.220 3.445) 6.654 10.203 ( -9.619 -5.296 -4.518) 11.873 10.664 ( -0.208 -7.885 5.541) 9.640 11.353 ( -3.687 -6.444 -3.029) 8.018 11.578 ( -7.217 0.912 -2.473) 7.683 11.734 ( -1.142 0.786 4.481) 4.690 12.082 ( -2.998 6.208 -2.870) 7.468 12.326 ( -3.473 1.344 8.380) 9.170 12.612 ( 8.030 2.296 -3.355) 9.000 13.105 ( 4.698 -1.277 0.538) 4.899 13.448 ( 1.299 16.085 -0.408) 16.142 15.551 ( 3.988 -8.699 -1.657) 9.712 15.686 ( 2.726 -12.594 1.435) 12.966 20.737 ( -6.081 -0.035 -0.460) 6.099 21.067 ( -2.795 5.980 3.692) 7.564 21.311 ( -1.505 -1.688 -4.747) 5.258 21.354 ( 0.428 2.180 0.344) 2.249 21.473 ( 1.137 -1.239 -0.053) 1.682 21.989 ( -4.373 5.737 1.121) 7.300 22.211 ( 4.723 -0.020 0.703) 4.775 22.242 ( 3.902 2.040 -0.884) 4.491 24.066 ( -6.836 10.987 2.069) 13.105 24.723 ( -4.117 0.525 -4.479) 6.106 24.860 ( 7.095 3.952 1.061) 8.190 25.200 ( 2.494 2.214 1.347) 3.597 26.067 ( -4.531 -8.866 0.198) 9.959 26.583 ( -2.781 -10.702 -2.581) 11.354 ======================= Grid point 197 (84/117) ======================= q-point: (-0.20 -0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( -21.672 -0.000 8.149) 23.153 1.063 ( -22.575 -0.000 -4.419) 23.003 1.990 ( 0.564 0.000 -4.156) 4.195 2.013 ( -10.479 -0.000 -9.586) 14.202 2.075 ( -0.136 -0.000 -8.729) 8.730 2.347 ( -6.731 -0.000 2.749) 7.270 2.508 ( -30.926 -0.000 4.641) 31.272 2.790 ( -25.289 -0.000 9.109) 26.879 2.792 ( -14.714 -0.000 3.875) 15.216 2.908 ( -6.163 -0.000 14.306) 15.577 3.002 ( -10.914 -0.000 6.450) 12.678 3.116 ( -5.744 -0.000 0.438) 5.761 3.319 ( -3.008 -0.000 -19.478) 19.709 3.495 ( 1.115 0.000 -4.708) 4.838 3.670 ( -1.486 -0.000 -1.823) 2.352 3.790 ( -5.246 -0.000 -10.033) 11.322 3.962 ( -4.159 -0.000 -2.969) 5.110 4.029 ( 2.751 0.000 3.034) 4.095 4.209 ( -8.973 -0.000 -7.296) 11.565 4.328 ( 5.231 0.000 4.827) 7.118 4.520 ( -6.391 -0.000 2.485) 6.857 4.741 ( 3.025 0.000 12.432) 12.794 4.879 ( -0.960 -0.000 10.811) 10.854 5.078 ( -10.568 -0.000 10.965) 15.229 5.577 ( 6.037 0.000 -20.065) 20.954 5.634 ( -6.741 -0.000 -14.525) 16.013 5.822 ( 0.592 0.000 2.458) 2.528 6.040 ( -6.941 -0.000 -0.137) 6.943 6.271 ( -2.429 -0.000 9.603) 9.905 6.518 ( -2.704 -0.000 -2.812) 3.901 6.817 ( 10.125 0.000 6.977) 12.296 6.892 ( 14.378 0.000 9.115) 17.023 7.310 ( -2.107 -0.000 -4.416) 4.893 7.320 ( 8.711 0.000 -5.628) 10.370 7.642 ( 6.011 0.000 -3.998) 7.219 7.696 ( 3.637 0.000 -0.738) 3.711 8.028 ( 3.272 0.000 5.928) 6.771 8.048 ( -5.739 -0.000 9.519) 11.115 8.486 ( 7.874 0.000 -4.324) 8.983 8.573 ( 0.528 0.000 -1.259) 1.366 8.773 ( -0.431 -0.000 -6.660) 6.674 8.821 ( 10.588 0.000 0.177) 10.589 9.232 ( -12.772 -0.000 2.100) 12.943 9.317 ( 3.389 0.000 -2.190) 4.035 9.760 ( -0.651 -0.000 3.491) 3.551 9.859 ( 3.262 0.000 -3.351) 4.676 10.121 ( 0.807 0.000 -1.181) 1.430 10.460 ( 0.264 0.000 -28.269) 28.271 11.089 ( -0.682 -0.000 -2.294) 2.394 11.626 ( -10.551 -0.000 -2.359) 10.812 11.945 ( -10.281 -0.000 20.542) 22.971 12.161 ( -10.125 -0.000 5.760) 11.649 12.297 ( 3.113 0.000 15.354) 15.667 12.606 ( 10.270 0.000 -1.920) 10.448 13.107 ( 5.499 0.000 -0.116) 5.501 13.850 ( 9.145 0.000 -3.994) 9.979 15.309 ( -1.614 -0.000 -1.193) 2.007 15.324 ( -0.054 -0.000 1.147) 1.149 20.752 ( -8.330 -0.000 1.548) 8.472 21.242 ( 2.539 0.000 1.081) 2.760 21.329 ( -1.024 -0.000 -4.511) 4.626 21.430 ( 1.314 0.000 -0.376) 1.367 21.564 ( -4.817 -0.000 -1.839) 5.156 21.777 ( 1.440 0.000 1.561) 2.124 22.241 ( 6.718 0.000 -0.465) 6.734 22.296 ( 7.338 0.000 0.046) 7.338 24.706 ( -11.842 -0.000 3.194) 12.265 24.719 ( 6.976 0.000 -4.153) 8.118 24.949 ( 2.683 0.000 2.358) 3.572 25.206 ( 1.609 0.000 -1.681) 2.327 25.855 ( -6.685 -0.000 -0.175) 6.687 26.121 ( -10.935 -0.000 -5.195) 12.106 ======================= Grid point 198 (85/117) ======================= q-point: (-0.10 -0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( -9.144 -18.322 22.325) 30.294 1.207 ( -13.930 -30.027 2.508) 33.196 1.772 ( -17.128 3.120 -13.987) 22.332 1.961 ( -18.303 -1.317 1.164) 18.387 2.076 ( 1.504 -0.616 0.264) 1.647 2.287 ( -15.319 -8.725 4.361) 18.161 2.319 ( -24.953 -11.240 -4.531) 27.740 2.593 ( -6.719 2.478 -6.319) 9.551 2.771 ( -10.368 -8.202 5.834) 14.450 2.827 ( -10.908 -0.625 4.618) 11.861 2.999 ( 2.928 0.153 7.575) 8.123 3.057 ( -2.930 0.351 2.240) 3.705 3.294 ( 1.235 -3.640 -9.816) 10.542 3.499 ( 0.405 -0.766 -3.637) 3.739 3.634 ( -0.497 2.534 -4.281) 4.999 3.792 ( -5.247 -4.911 -2.573) 7.633 3.877 ( 0.335 5.947 -5.164) 7.883 3.997 ( -4.565 3.734 4.507) 7.423 4.026 ( -7.122 4.124 -0.055) 8.230 4.408 ( -9.376 -5.736 -0.536) 11.005 4.549 ( 2.115 -2.206 4.013) 5.044 4.815 ( 2.426 -0.889 6.075) 6.602 4.859 ( -2.664 2.819 11.856) 12.475 5.025 ( -0.878 -1.645 4.139) 4.539 5.545 ( 0.625 -2.155 -15.545) 15.706 5.586 ( -3.053 -3.048 -10.442) 11.298 5.832 ( -2.678 0.401 3.028) 4.062 6.038 ( -5.255 -5.859 -3.533) 8.627 6.256 ( 0.475 4.022 8.897) 9.775 6.493 ( -1.479 -0.140 -0.465) 1.557 6.834 ( 13.041 13.964 6.986) 20.344 7.103 ( 7.476 -6.450 2.209) 10.118 7.211 ( -2.315 8.304 -0.174) 8.622 7.322 ( -0.490 3.191 -4.847) 5.824 7.548 ( -3.017 5.692 -3.315) 7.245 7.701 ( -4.931 1.227 -5.428) 7.435 8.007 ( -0.359 0.797 6.356) 6.416 8.113 ( 10.418 2.416 9.500) 14.304 8.539 ( 6.495 2.909 -3.480) 7.922 8.587 ( 5.491 -0.275 -2.281) 5.952 8.718 ( -0.440 1.315 -3.598) 3.856 8.839 ( 3.969 6.268 -0.668) 7.449 9.175 ( -6.805 -8.197 0.448) 10.663 9.455 ( -1.838 -10.573 0.778) 10.759 9.690 ( 4.597 8.764 0.362) 9.904 9.908 ( 5.992 0.137 -5.422) 8.082 10.052 ( -3.979 -0.352 -5.416) 6.730 10.521 ( -3.201 -9.663 -8.943) 13.549 11.174 ( 1.310 -8.098 -7.455) 11.085 11.479 ( -12.511 0.759 -2.845) 12.853 11.824 ( -1.967 6.226 12.331) 13.953 12.073 ( -9.619 1.030 -3.139) 10.170 12.398 ( 4.913 3.350 25.532) 26.215 12.713 ( 9.453 -0.735 1.236) 9.562 13.139 ( 3.653 1.041 0.032) 3.798 13.789 ( 7.716 15.068 -3.783) 17.346 15.399 ( 2.920 -11.742 -1.085) 12.149 15.479 ( 2.043 -12.402 0.608) 12.584 20.672 ( -6.681 0.150 0.134) 6.684 21.206 ( -5.628 9.427 -3.369) 11.485 21.258 ( 2.171 0.843 0.355) 2.356 21.402 ( -1.198 3.717 0.793) 3.985 21.456 ( 0.088 -1.136 0.112) 1.145 21.944 ( -2.099 -5.631 0.056) 6.010 22.292 ( 5.670 1.438 -0.022) 5.849 22.337 ( 5.735 2.726 -0.199) 6.353 24.264 ( -13.140 22.573 0.733) 26.130 24.678 ( -6.446 1.744 0.165) 6.680 24.969 ( 6.907 -0.147 -1.511) 7.072 25.291 ( 5.320 1.507 -1.020) 5.623 25.872 ( -4.492 -7.040 -0.207) 8.354 26.242 ( -7.172 -20.712 -8.615) 23.551 ======================= Grid point 208 (86/117) ======================= q-point: (-0.10 -0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.635 ( -19.003 -0.000 12.533) 22.764 0.683 ( -6.387 -0.000 37.362) 37.904 1.570 ( -56.245 -0.000 22.976) 60.757 1.590 ( -24.903 -0.000 -18.269) 30.885 1.762 ( -9.141 -0.000 -9.587) 13.246 2.164 ( 7.903 0.000 1.215) 7.996 2.300 ( 0.231 0.000 5.050) 5.056 2.543 ( -3.295 -0.000 -2.642) 4.223 2.589 ( -8.639 -0.000 2.639) 9.033 2.778 ( 1.042 0.000 -2.312) 2.536 3.035 ( 2.429 0.000 2.985) 3.848 3.050 ( -1.855 -0.000 0.797) 2.019 3.242 ( -0.182 -0.000 -11.963) 11.965 3.547 ( 4.831 0.000 0.041) 4.831 3.663 ( 1.593 0.000 -0.182) 1.603 3.667 ( -3.590 -0.000 -4.356) 5.645 3.878 ( -3.551 -0.000 -0.080) 3.552 3.984 ( -7.204 -0.000 0.532) 7.223 4.123 ( 2.571 0.000 -8.134) 8.530 4.253 ( -11.071 -0.000 4.326) 11.886 4.565 ( 5.494 0.000 3.255) 6.386 4.841 ( 1.086 0.000 4.822) 4.943 4.893 ( -3.353 -0.000 13.795) 14.197 4.963 ( -7.477 -0.000 12.182) 14.294 5.446 ( -4.081 -0.000 -9.779) 10.596 5.562 ( 4.642 0.000 -20.474) 20.993 5.858 ( 2.063 0.000 -2.008) 2.879 5.911 ( -5.077 -0.000 -0.625) 5.116 6.330 ( 2.513 0.000 10.338) 10.639 6.470 ( -1.780 -0.000 2.752) 3.277 7.047 ( 7.207 0.000 2.690) 7.693 7.112 ( 2.452 0.000 -4.158) 4.827 7.244 ( -0.716 -0.000 1.782) 1.920 7.391 ( 1.880 0.000 1.052) 2.155 7.517 ( -15.439 -0.000 2.556) 15.649 7.618 ( -8.088 -0.000 -13.477) 15.718 7.981 ( -2.634 -0.000 2.041) 3.332 8.299 ( 16.916 0.000 9.991) 19.646 8.567 ( -4.217 -0.000 -3.651) 5.578 8.678 ( 11.102 0.000 -3.429) 11.619 8.704 ( 0.990 0.000 -0.244) 1.019 8.955 ( -5.973 -0.000 -4.837) 7.686 9.056 ( 5.669 0.000 3.227) 6.523 9.369 ( 1.762 0.000 4.849) 5.159 9.809 ( 1.779 0.000 2.159) 2.798 9.896 ( -2.580 -0.000 -17.460) 17.649 10.139 ( -16.265 -0.000 -28.439) 32.762 10.144 ( 2.581 0.000 -5.343) 5.933 11.124 ( 5.200 0.000 -2.667) 5.844 11.335 ( -15.247 -0.000 1.867) 15.361 11.914 ( 1.820 0.000 -0.748) 1.967 11.953 ( -13.350 -0.000 7.142) 15.141 12.749 ( 30.723 0.000 42.105) 52.123 12.784 ( 6.495 0.000 2.051) 6.812 13.220 ( 6.308 0.000 10.119) 11.924 14.004 ( 7.847 0.000 -4.016) 8.815 15.281 ( -0.803 -0.000 -0.095) 0.809 15.325 ( -0.199 -0.000 -0.025) 0.201 20.613 ( -5.349 -0.000 0.170) 5.351 21.115 ( -13.026 -0.000 -20.085) 23.939 21.394 ( 4.086 0.000 2.473) 4.776 21.427 ( -0.808 -0.000 -0.322) 0.870 21.546 ( 5.956 0.000 10.417) 11.999 21.842 ( 3.851 0.000 -0.393) 3.871 22.358 ( 4.678 0.000 0.213) 4.683 22.419 ( 4.625 0.000 -0.011) 4.625 24.438 ( -13.826 -0.000 1.277) 13.885 24.763 ( -6.028 -0.000 -16.418) 17.489 25.003 ( 0.222 0.000 3.393) 3.400 25.125 ( -8.346 -0.000 -12.331) 14.890 25.762 ( -2.535 -0.000 -0.388) 2.565 25.839 ( -10.875 -0.000 -4.958) 11.952 ======================= Grid point 209 (87/117) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 62 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( 22.090 0.000 -20.398) 30.067 0.966 ( -22.090 -0.000 20.398) 30.067 1.156 ( -4.866 -0.000 -25.289) 25.753 1.156 ( 4.866 0.000 25.289) 25.753 1.910 ( 7.317 0.000 -38.266) 38.959 1.910 ( -7.317 -0.000 38.266) 38.959 2.385 ( -3.140 -0.000 -2.313) 3.900 2.385 ( 3.140 0.000 2.313) 3.900 2.762 ( 7.517 0.000 -5.478) 9.301 2.762 ( -7.517 -0.000 5.478) 9.301 3.036 ( 3.707 0.000 -2.738) 4.609 3.036 ( -3.707 -0.000 2.738) 4.609 3.332 ( -1.799 -0.000 -9.788) 9.952 3.332 ( 1.799 0.000 9.788) 9.952 3.783 ( -7.729 -0.000 -2.436) 8.104 3.783 ( 7.729 0.000 2.436) 8.104 3.879 ( 0.353 0.000 -3.204) 3.224 3.879 ( -0.353 -0.000 3.204) 3.224 3.952 ( -7.623 -0.000 -9.751) 12.377 3.952 ( 7.623 0.000 9.751) 12.377 4.780 ( -5.234 -0.000 -3.801) 6.469 4.780 ( 5.234 0.000 3.801) 6.469 5.125 ( -2.326 -0.000 -1.888) 2.996 5.125 ( 2.326 0.000 1.888) 2.996 5.239 ( 3.118 0.000 -7.977) 8.565 5.239 ( -3.118 -0.000 7.977) 8.565 5.847 ( -0.875 -0.000 -0.072) 0.878 5.847 ( 0.875 0.000 0.072) 0.878 6.609 ( 1.700 0.000 -0.987) 1.966 6.609 ( -1.700 -0.000 0.987) 1.966 6.894 ( -4.774 -0.000 1.403) 4.976 6.894 ( 4.774 0.000 -1.403) 4.976 7.297 ( 6.477 0.000 -2.342) 6.887 7.297 ( -6.477 -0.000 2.342) 6.887 7.549 ( 1.553 0.000 -4.216) 4.493 7.549 ( -1.553 -0.000 4.216) 4.493 8.108 ( -9.242 -0.000 -8.502) 12.558 8.108 ( 9.242 0.000 8.502) 12.558 8.694 ( -6.652 -0.000 -5.231) 8.463 8.694 ( 6.652 0.000 5.231) 8.463 8.821 ( 5.981 0.000 -2.062) 6.327 8.821 ( -5.981 -0.000 2.062) 6.327 9.188 ( -6.506 -0.000 -1.328) 6.640 9.188 ( 6.506 0.000 1.328) 6.640 9.772 ( -3.616 -0.000 -9.011) 9.710 9.772 ( 3.616 0.000 9.011) 9.710 10.018 ( -0.243 -0.000 -1.585) 1.604 10.018 ( 0.243 0.000 1.585) 1.604 11.193 ( 8.090 0.000 -2.811) 8.565 11.193 ( -8.090 -0.000 2.811) 8.565 11.884 ( 10.134 0.000 -6.835) 12.224 11.884 ( -10.134 -0.000 6.835) 12.224 12.982 ( -0.167 -0.000 -7.112) 7.114 12.982 ( 0.167 0.000 7.112) 7.114 13.984 ( -1.288 -0.000 -5.656) 5.801 13.984 ( 1.288 0.000 5.656) 5.801 15.296 ( -0.608 -0.000 -1.055) 1.218 15.296 ( 0.608 0.000 1.055) 1.218 20.576 ( -4.672 -0.000 -0.287) 4.681 20.576 ( 4.672 0.000 0.287) 4.681 21.418 ( -0.171 -0.000 -0.056) 0.180 21.418 ( 0.171 0.000 0.056) 0.180 21.841 ( -1.528 -0.000 -1.924) 2.457 21.841 ( 1.528 0.000 1.924) 2.457 22.441 ( -1.109 -0.000 -1.126) 1.581 22.441 ( 1.109 0.000 1.126) 1.581 24.220 ( -1.737 -0.000 -2.357) 2.928 24.220 ( 1.737 0.000 2.357) 2.928 25.040 ( 3.818 0.000 -2.492) 4.559 25.040 ( -3.818 -0.000 2.492) 4.559 25.746 ( -0.686 -0.000 -0.217) 0.720 25.746 ( 0.686 0.000 0.217) 0.720 ======================= Grid point 211 (88/117) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( 0.588 -11.576 18.208) 21.584 1.267 ( 14.102 -14.384 -13.605) 24.308 1.437 ( 8.853 -23.389 -13.692) 28.512 1.573 ( 10.057 -21.127 10.685) 25.723 1.962 ( 5.472 -7.183 -12.261) 15.227 1.992 ( -0.020 -6.616 9.260) 11.381 2.405 ( -1.741 -1.811 -1.377) 2.865 2.510 ( -1.258 -4.499 -3.762) 5.998 2.551 ( 4.888 -0.270 -0.964) 4.990 2.713 ( 3.211 3.734 1.456) 5.136 3.001 ( -0.180 1.496 -0.869) 1.739 3.055 ( 2.105 1.390 -0.879) 2.672 3.308 ( -2.003 -0.001 1.756) 2.664 3.402 ( 4.170 -1.634 1.176) 4.630 3.656 ( -6.486 5.680 -1.128) 8.694 3.794 ( 3.073 4.489 0.378) 5.454 3.840 ( -0.118 2.512 -1.018) 2.713 3.905 ( 5.594 2.098 -2.217) 6.372 3.922 ( 0.087 -5.332 -4.242) 6.814 4.063 ( 6.774 -2.409 10.676) 12.871 4.729 ( -3.668 0.074 -5.332) 6.472 4.814 ( 1.576 3.955 6.458) 7.735 5.068 ( -7.165 -0.441 8.415) 11.061 5.129 ( 3.283 3.756 -5.804) 7.653 5.303 ( -1.532 -8.100 4.267) 9.283 5.351 ( 5.232 -7.952 -6.648) 11.610 5.859 ( 1.804 -2.023 0.698) 2.799 5.866 ( 2.660 -0.641 -0.787) 2.847 6.486 ( -4.042 9.449 -4.416) 11.186 6.595 ( 3.159 3.877 -3.958) 6.377 6.883 ( -2.390 -1.537 -0.454) 2.878 6.992 ( -0.081 -5.143 12.228) 13.266 7.200 ( 4.211 11.350 -2.488) 12.359 7.282 ( 9.917 10.962 2.954) 15.075 7.531 ( -3.627 -0.304 -4.080) 5.468 7.555 ( -3.138 -0.960 -4.569) 5.626 8.046 ( -1.863 -0.929 -2.365) 3.150 8.203 ( 6.848 3.892 9.890) 12.643 8.619 ( -10.271 -0.750 -4.714) 11.326 8.723 ( -5.401 1.873 -1.011) 5.806 8.794 ( 2.399 0.737 4.304) 4.983 8.850 ( 3.777 -1.273 -1.068) 4.126 9.096 ( -7.329 -4.348 -5.046) 9.903 9.392 ( 12.899 -6.006 8.563) 16.607 9.720 ( -0.943 -0.997 -10.177) 10.269 9.829 ( 4.384 -0.638 5.876) 7.359 10.034 ( -8.950 -6.934 -2.148) 11.524 10.161 ( 2.523 -11.176 5.799) 12.841 11.155 ( -4.715 -2.121 1.577) 5.405 11.293 ( 10.400 -1.018 -3.840) 11.133 11.817 ( -6.916 -0.224 7.131) 9.936 11.965 ( 9.975 0.860 -5.733) 11.537 12.892 ( -8.791 5.199 -1.860) 10.382 12.989 ( -0.522 -0.543 1.392) 1.583 13.545 ( -8.756 26.073 -18.691) 33.254 13.688 ( -4.246 23.529 15.541) 28.516 15.469 ( -3.791 -14.726 -0.085) 15.207 15.502 ( -0.651 -15.388 0.333) 15.406 20.583 ( 0.085 -2.020 0.358) 2.054 20.730 ( 12.532 -5.216 3.665) 14.060 21.412 ( -1.371 -0.087 -0.100) 1.377 21.437 ( 0.838 -0.885 -0.027) 1.219 21.609 ( -10.726 11.359 -2.578) 15.834 21.838 ( 9.476 5.541 -0.100) 10.978 22.382 ( -3.430 3.531 -1.075) 5.039 22.415 ( -1.319 2.947 0.710) 3.306 24.150 ( -3.091 2.984 -1.786) 4.653 24.412 ( 16.654 -0.869 2.053) 16.802 25.078 ( -6.149 -5.273 -0.780) 8.138 25.214 ( 5.396 -7.238 1.840) 9.214 25.822 ( 0.733 -9.273 -1.370) 9.403 25.873 ( 5.132 -13.670 2.376) 14.794 ======================= Grid point 212 (89/117) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 6.237 -14.645 11.921) 19.887 1.569 ( -3.241 -10.684 3.389) 11.668 1.752 ( 1.683 -11.420 -8.972) 14.620 1.957 ( 10.388 -15.842 -12.714) 22.815 2.092 ( 4.318 -3.753 4.426) 7.233 2.163 ( 1.078 -5.351 6.642) 8.597 2.444 ( -0.895 -6.688 -3.244) 7.487 2.567 ( 6.664 0.197 -6.977) 9.650 2.754 ( 9.803 -2.521 -1.883) 10.295 2.916 ( 8.491 0.355 -6.165) 10.499 3.037 ( 4.306 -5.466 -2.938) 7.553 3.167 ( 7.471 -19.219 9.477) 22.694 3.367 ( 3.105 -10.666 6.738) 12.993 3.458 ( -2.101 0.889 -1.722) 2.858 3.495 ( 0.942 2.029 -0.993) 2.448 3.750 ( 1.448 -0.713 -4.171) 4.473 3.837 ( 2.849 0.838 1.950) 3.553 3.947 ( 8.330 1.154 -1.279) 8.506 4.038 ( 2.571 -7.345 -4.830) 9.159 4.197 ( 3.567 -2.455 12.353) 13.090 4.628 ( -2.560 6.527 -0.597) 7.037 4.764 ( -1.671 -0.559 3.286) 3.729 5.013 ( 0.719 5.526 -5.039) 7.513 5.092 ( -1.129 -2.465 0.218) 2.721 5.490 ( 0.416 -10.029 4.346) 10.939 5.532 ( 1.731 -8.115 -0.491) 8.312 5.917 ( 0.281 -2.455 -1.041) 2.681 5.983 ( 7.516 -6.189 2.233) 9.989 6.257 ( 2.944 11.746 -2.358) 12.337 6.492 ( 4.771 10.168 -6.992) 13.230 6.737 ( -8.792 18.483 -7.416) 21.770 6.975 ( 1.982 5.784 -3.151) 6.878 7.088 ( -0.717 0.386 11.652) 11.680 7.148 ( 6.905 13.744 8.111) 17.389 7.497 ( -1.491 1.802 1.146) 2.604 7.517 ( -7.565 -4.280 -3.698) 9.446 8.002 ( -2.417 6.635 2.761) 7.582 8.151 ( 1.607 4.710 4.005) 6.388 8.516 ( -8.288 -0.447 -1.897) 8.514 8.668 ( -3.792 0.276 -1.965) 4.280 8.747 ( -2.582 1.869 -1.663) 3.595 8.871 ( -2.381 -0.173 -4.838) 5.395 9.230 ( 5.285 -6.561 2.733) 8.856 9.499 ( -3.623 0.465 0.122) 3.655 9.799 ( 10.189 -4.793 -4.423) 12.098 9.930 ( 7.299 -3.229 3.732) 8.811 10.034 ( -15.975 -7.070 -2.005) 17.584 10.498 ( 7.779 -15.736 9.193) 19.816 11.191 ( -2.092 -5.543 3.811) 7.044 11.393 ( 10.271 0.163 -4.895) 11.380 11.790 ( -3.753 -0.470 5.358) 6.558 12.008 ( 4.393 1.141 -4.947) 6.714 12.595 ( -10.329 13.068 -6.203) 17.775 12.959 ( -5.026 4.389 -8.409) 10.735 13.141 ( -0.104 6.148 -2.572) 6.665 13.324 ( -0.899 17.717 10.851) 20.795 15.630 ( -5.816 -8.911 0.279) 10.645 15.743 ( -1.400 -12.340 -0.044) 12.419 20.637 ( 1.455 -2.800 0.525) 3.198 20.950 ( 11.283 -3.648 3.905) 12.484 21.323 ( -6.869 6.284 -4.363) 10.281 21.391 ( -2.362 0.250 -0.273) 2.391 21.479 ( 0.502 -0.588 -0.467) 0.903 21.833 ( 12.689 7.798 0.131) 14.894 22.271 ( -3.309 4.113 0.177) 5.282 22.331 ( -2.937 3.562 0.142) 4.619 24.078 ( -3.932 1.133 -0.902) 4.190 24.503 ( 8.045 3.538 2.458) 9.126 25.053 ( -5.538 0.748 -3.049) 6.366 25.245 ( -0.320 3.030 0.503) 3.088 26.033 ( 0.894 -12.216 -2.106) 12.429 26.291 ( 9.757 -16.647 6.140) 20.249 ======================= Grid point 213 (90/117) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( -6.049 -3.124 8.521) 10.907 1.735 ( 0.933 -12.756 3.075) 13.154 1.958 ( 3.293 -10.865 -6.937) 13.305 2.137 ( 2.209 0.284 1.441) 2.653 2.274 ( 2.388 -11.373 -0.862) 11.653 2.453 ( 11.630 -15.292 -3.217) 19.480 2.511 ( 0.325 4.423 1.656) 4.734 2.546 ( 0.689 -6.058 -3.905) 7.240 2.737 ( 1.707 7.324 3.124) 8.143 2.924 ( 5.689 1.784 -5.871) 8.367 3.077 ( 4.305 4.495 0.428) 6.239 3.313 ( -4.756 4.002 0.247) 6.221 3.530 ( 8.853 -5.478 -7.788) 13.001 3.598 ( 3.519 -1.032 -1.365) 3.913 3.761 ( 4.416 -21.399 8.997) 23.630 3.820 ( 3.513 5.285 5.189) 8.198 3.889 ( 0.734 4.033 0.721) 4.162 4.076 ( 11.672 -17.298 -2.276) 20.991 4.220 ( 6.875 -7.935 -7.068) 12.656 4.369 ( -0.066 -13.330 8.727) 15.933 4.552 ( 3.655 -0.883 2.417) 4.470 4.787 ( 0.296 -0.334 -3.448) 3.477 4.972 ( 1.358 -1.527 -1.229) 2.385 5.142 ( -0.416 -3.648 0.265) 3.681 5.572 ( -3.037 2.164 1.857) 4.166 5.637 ( -5.514 1.240 3.923) 6.880 5.869 ( -5.590 -1.469 3.518) 6.766 6.174 ( -5.152 16.252 -8.555) 19.075 6.227 ( 7.466 -2.461 -3.183) 8.481 6.264 ( 12.759 2.898 -1.313) 13.150 6.348 ( 7.504 4.871 -6.304) 10.944 6.862 ( 6.433 11.695 -4.189) 13.989 7.014 ( 3.372 8.691 11.926) 15.137 7.122 ( 0.458 -0.745 10.566) 10.602 7.429 ( -2.467 3.976 0.767) 4.741 7.524 ( -10.806 -6.552 -2.013) 12.796 7.836 ( -2.261 5.991 1.642) 6.611 8.111 ( -0.482 2.496 -3.951) 4.698 8.465 ( -3.987 -0.315 5.559) 6.849 8.578 ( -9.310 3.307 -0.271) 9.883 8.689 ( 0.233 1.155 -6.425) 6.533 8.796 ( -2.910 3.467 -5.782) 7.343 9.347 ( 1.332 1.622 1.765) 2.742 9.438 ( -3.253 -2.310 2.987) 4.984 9.918 ( 0.990 2.184 3.652) 4.368 9.992 ( -9.886 -9.058 -6.654) 14.969 10.144 ( 10.476 -6.947 0.820) 12.597 10.803 ( 5.776 -8.711 1.598) 10.574 11.344 ( -2.083 -9.898 10.647) 14.686 11.480 ( 11.427 0.248 -5.439) 12.658 11.780 ( -1.668 -0.897 1.037) 2.159 11.979 ( -2.380 1.385 -4.986) 5.696 12.326 ( -1.817 7.622 -1.770) 8.033 12.725 ( -10.405 7.340 -7.404) 14.729 13.063 ( 1.905 14.302 6.779) 15.941 13.172 ( 2.773 -2.431 0.356) 3.705 15.698 ( -4.574 -4.945 -0.668) 6.769 15.913 ( -1.252 -7.943 0.864) 8.087 20.706 ( 1.537 -2.784 0.610) 3.238 21.053 ( 3.807 2.047 -3.646) 5.655 21.243 ( 0.183 -2.781 3.053) 4.134 21.356 ( -2.768 0.587 -0.233) 2.839 21.491 ( 0.247 -0.274 -0.140) 0.395 21.794 ( 10.206 9.529 -0.449) 13.970 22.186 ( -1.556 2.638 0.844) 3.177 22.254 ( -2.519 1.488 -0.087) 2.927 24.012 ( -3.748 1.864 -0.116) 4.188 24.498 ( 3.143 3.435 3.294) 5.704 24.949 ( -3.114 3.589 -6.527) 8.073 25.202 ( -0.913 0.968 1.745) 2.195 26.233 ( 0.289 -9.509 -1.477) 9.627 26.602 ( 6.013 -7.922 4.024) 10.729 ======================= Grid point 214 (91/117) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( -5.341 0.241 4.939) 7.279 1.935 ( 0.737 -8.881 -4.567) 10.014 2.060 ( -0.003 0.000 -2.763) 2.763 2.164 ( 3.488 0.157 4.257) 5.506 2.414 ( -2.829 0.905 0.192) 2.976 2.464 ( -0.527 -1.238 3.902) 4.127 2.585 ( -0.235 2.081 0.295) 2.115 2.664 ( 1.587 -5.067 -2.718) 5.965 2.864 ( 1.472 -12.181 4.391) 13.032 2.938 ( 7.201 1.069 -5.616) 9.194 3.078 ( 11.030 -0.600 -3.770) 11.672 3.242 ( -1.426 -2.260 -4.229) 5.003 3.575 ( -3.409 2.028 -0.792) 4.045 3.612 ( -2.731 7.685 5.700) 9.950 3.780 ( 8.915 -3.191 1.488) 9.585 3.905 ( 1.671 -3.913 2.128) 4.758 4.095 ( 7.402 -5.696 0.795) 9.374 4.249 ( 4.379 -2.328 0.440) 4.978 4.466 ( 0.628 -9.158 3.477) 9.816 4.559 ( 1.237 7.956 -4.700) 9.323 4.720 ( 4.122 -12.339 -2.017) 13.165 4.841 ( 0.966 -13.457 -0.771) 13.513 5.003 ( -1.205 4.115 0.621) 4.332 5.144 ( 0.205 5.005 -1.232) 5.158 5.391 ( -5.314 8.977 -7.153) 12.649 5.474 ( -10.314 -0.557 10.319) 14.600 5.843 ( -5.331 4.795 -0.327) 7.178 5.989 ( 2.323 -4.691 -0.532) 5.262 6.180 ( 1.137 0.514 -7.095) 7.204 6.397 ( 5.455 2.125 -0.575) 5.882 6.550 ( 17.410 -1.764 2.097) 17.624 6.785 ( 14.030 4.113 -0.425) 14.626 6.924 ( -1.903 4.538 7.451) 8.929 7.207 ( 7.153 -0.856 6.862) 9.949 7.318 ( -6.649 1.601 -2.925) 7.438 7.503 ( -13.967 -4.894 -3.394) 15.184 7.802 ( 6.478 0.312 0.651) 6.519 8.028 ( -3.043 2.585 -3.080) 5.043 8.361 ( -10.896 6.917 5.839) 14.166 8.498 ( -1.395 -2.307 4.503) 5.248 8.636 ( -1.874 3.704 -6.545) 7.750 8.701 ( -0.119 1.851 -6.082) 6.359 9.261 ( -2.976 3.479 0.485) 4.605 9.505 ( 1.120 -2.093 3.330) 4.089 9.847 ( -7.648 -0.436 0.254) 7.665 10.074 ( 0.084 -4.417 -1.762) 4.756 10.305 ( 7.291 -0.559 -0.980) 7.378 11.007 ( 5.182 -8.763 0.824) 10.214 11.448 ( -7.904 -3.373 10.327) 13.435 11.564 ( 10.963 2.139 -8.368) 13.956 11.829 ( -0.413 -4.049 2.303) 4.677 11.920 ( -0.554 0.088 -6.146) 6.172 12.235 ( 0.426 3.929 4.066) 5.670 12.507 ( -8.383 2.838 -5.459) 10.399 12.866 ( 0.513 10.021 3.300) 10.563 13.246 ( 2.929 -1.781 0.136) 3.431 15.724 ( -2.482 -2.241 -0.509) 3.382 16.009 ( -0.724 -3.769 0.605) 3.885 20.760 ( 0.711 -1.545 0.385) 1.744 21.018 ( 0.709 1.379 -3.659) 3.974 21.307 ( -0.955 0.634 0.319) 1.190 21.370 ( 0.856 -5.604 4.066) 6.977 21.494 ( -0.454 -0.086 0.663) 0.808 21.698 ( 5.460 9.053 -2.391) 10.839 22.149 ( -0.126 1.035 0.776) 1.299 22.225 ( -1.008 0.135 -0.071) 1.020 23.945 ( -2.346 1.786 0.136) 2.951 24.477 ( 1.044 1.917 2.657) 3.439 24.853 ( -1.343 2.417 -5.193) 5.883 25.193 ( -0.405 0.042 1.450) 1.506 26.363 ( 0.014 -5.013 -0.675) 5.058 26.741 ( 2.494 -2.709 1.704) 4.058 ======================= Grid point 215 (92/117) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( -0.000 0.000 0.000) 0.000 2.030 ( -0.000 0.000 0.000) 0.000 2.064 ( -0.000 -0.000 0.000) 0.000 2.161 ( 0.000 0.000 -0.000) 0.000 2.388 ( 0.000 0.000 0.000) 0.000 2.431 ( -0.000 -0.000 -0.000) 0.000 2.556 ( -0.000 0.000 0.000) 0.000 2.743 ( -0.000 0.000 0.000) 0.000 2.934 ( -0.000 0.000 0.000) 0.000 2.985 ( 0.000 0.000 0.000) 0.000 3.194 ( -0.000 -0.000 0.000) 0.000 3.410 ( -0.000 0.000 0.000) 0.000 3.418 ( 0.000 -0.000 -0.000) 0.000 3.524 ( -0.000 0.000 0.000) 0.000 3.838 ( 0.000 0.000 0.000) 0.000 4.028 ( 0.000 -0.000 0.000) 0.000 4.075 ( -0.000 0.000 -0.000) 0.000 4.355 ( -0.000 0.000 0.000) 0.000 4.516 ( -0.000 0.000 -0.000) 0.000 4.536 ( 0.000 -0.000 0.000) 0.000 4.780 ( -0.000 0.000 0.000) 0.000 4.864 ( -0.000 0.000 0.000) 0.000 5.099 ( -0.000 0.000 0.000) 0.000 5.126 ( -0.000 0.000 0.000) 0.000 5.184 ( -0.000 0.000 0.000) 0.000 5.442 ( -0.000 0.000 0.000) 0.000 5.846 ( -0.000 0.000 0.000) 0.000 5.981 ( -0.000 0.000 -0.000) 0.000 6.250 ( -0.000 0.000 0.000) 0.000 6.337 ( -0.000 0.000 0.000) 0.000 6.664 ( -0.000 0.000 0.000) 0.000 6.821 ( -0.000 0.000 0.000) 0.000 6.952 ( 0.000 0.000 0.000) 0.000 7.169 ( -0.000 0.000 0.000) 0.000 7.374 ( 0.000 -0.000 0.000) 0.000 7.410 ( -0.000 0.000 -0.000) 0.000 7.904 ( -0.000 0.000 0.000) 0.000 7.956 ( 0.000 0.000 0.000) 0.000 8.213 ( -0.000 0.000 0.000) 0.000 8.535 ( 0.000 -0.000 0.000) 0.000 8.557 ( -0.000 0.000 -0.000) 0.000 8.675 ( -0.000 0.000 0.000) 0.000 9.212 ( -0.000 0.000 0.000) 0.000 9.533 ( -0.000 0.000 0.000) 0.000 9.812 ( -0.000 0.000 0.000) 0.000 10.115 ( -0.000 0.000 0.000) 0.000 10.336 ( -0.000 0.000 0.000) 0.000 11.155 ( -0.000 0.000 0.000) 0.000 11.416 ( -0.000 -0.000 0.000) 0.000 11.589 ( -0.000 0.000 0.000) 0.000 11.835 ( -0.000 0.000 0.000) 0.000 11.955 ( -0.000 0.000 -0.000) 0.000 12.194 ( 0.000 0.000 0.000) 0.000 12.446 ( -0.000 0.000 0.000) 0.000 12.770 ( 0.000 0.000 0.000) 0.000 13.279 ( -0.000 0.000 0.000) 0.000 15.730 ( -0.000 0.000 0.000) 0.000 16.040 ( -0.000 0.000 0.000) 0.000 20.777 ( -0.000 0.000 0.000) 0.000 21.007 ( -0.000 0.000 0.000) 0.000 21.292 ( -0.000 0.000 0.000) 0.000 21.466 ( -0.000 0.000 -0.000) 0.000 21.486 ( 0.000 0.000 0.000) 0.000 21.614 ( -0.000 0.000 0.000) 0.000 22.141 ( -0.000 0.000 0.000) 0.000 22.220 ( -0.000 0.000 0.000) 0.000 23.915 ( -0.000 0.000 0.000) 0.000 24.468 ( -0.000 0.000 0.000) 0.000 24.817 ( -0.000 0.000 0.000) 0.000 25.194 ( -0.000 0.000 0.000) 0.000 26.407 ( -0.000 0.000 0.000) 0.000 26.778 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 222 (93/117) ======================= q-point: ( 0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( 8.052 0.000 -14.906) 16.941 1.245 ( 25.266 0.000 9.024) 26.829 1.385 ( 12.571 0.000 -26.735) 29.543 1.501 ( 16.890 0.000 14.310) 22.137 1.986 ( 0.067 0.000 24.820) 24.820 1.997 ( 23.181 0.000 -17.869) 29.269 2.441 ( 4.245 0.000 5.067) 6.611 2.471 ( -2.862 -0.000 -10.054) 10.453 2.504 ( 1.400 0.000 3.830) 4.078 2.796 ( 10.131 0.000 -4.399) 11.045 3.032 ( -2.180 -0.000 -1.088) 2.436 3.068 ( 5.922 0.000 -2.804) 6.552 3.318 ( 1.960 0.000 -10.921) 11.095 3.397 ( -3.556 -0.000 12.678) 13.167 3.676 ( -2.020 -0.000 -2.243) 3.019 3.754 ( -4.489 -0.000 -9.136) 10.179 3.887 ( 1.310 0.000 -0.635) 1.456 3.936 ( 3.214 0.000 3.969) 5.107 3.989 ( 7.062 0.000 3.931) 8.083 4.178 ( 8.971 0.000 9.310) 12.929 4.643 ( -6.074 -0.000 -4.427) 7.516 4.880 ( 3.262 0.000 0.053) 3.263 5.022 ( -9.331 -0.000 14.463) 17.212 5.174 ( -0.411 -0.000 15.373) 15.379 5.285 ( 5.872 0.000 -5.361) 7.951 5.292 ( 8.244 0.000 -17.721) 19.545 5.852 ( 1.381 0.000 -0.999) 1.704 5.904 ( 4.969 0.000 0.079) 4.970 6.527 ( -4.673 -0.000 -8.854) 10.012 6.555 ( -2.382 -0.000 -4.202) 4.830 6.929 ( 3.300 0.000 11.233) 11.707 6.930 ( -2.464 -0.000 9.357) 9.675 7.395 ( 8.874 0.000 6.514) 11.008 7.442 ( -5.518 -0.000 -13.559) 14.639 7.480 ( -5.028 -0.000 -2.675) 5.696 7.553 ( 8.788 0.000 -0.929) 8.837 8.030 ( 4.039 0.000 -0.766) 4.111 8.363 ( 8.901 0.000 10.770) 13.972 8.465 ( -14.525 -0.000 -5.572) 15.557 8.667 ( -5.670 -0.000 -4.447) 7.205 8.794 ( -5.050 -0.000 -6.431) 8.177 8.844 ( 3.552 0.000 5.858) 6.851 9.110 ( 1.772 0.000 -2.262) 2.874 9.404 ( 8.451 0.000 10.399) 13.400 9.672 ( 0.912 0.000 -9.491) 9.535 9.856 ( 2.009 0.000 -1.401) 2.449 9.972 ( -3.542 -0.000 3.062) 4.682 10.004 ( -2.641 -0.000 6.613) 7.121 11.104 ( -1.925 -0.000 -0.257) 1.942 11.394 ( 12.471 0.000 -2.565) 12.732 11.795 ( -1.206 -0.000 7.325) 7.424 12.076 ( 11.140 0.000 -4.795) 12.129 12.844 ( -10.468 -0.000 -3.442) 11.019 12.926 ( -8.752 -0.000 4.278) 9.741 13.660 ( -18.405 -0.000 -19.358) 26.711 13.848 ( -13.765 -0.000 12.313) 18.469 15.285 ( -0.008 -0.000 -0.529) 0.529 15.318 ( 1.049 0.000 0.647) 1.233 20.634 ( 8.495 0.000 -2.228) 8.783 20.813 ( 12.359 0.000 10.041) 15.924 21.415 ( -0.931 -0.000 -0.693) 1.161 21.419 ( 0.049 0.000 0.522) 0.524 21.696 ( -8.238 -0.000 -5.016) 9.645 21.812 ( -3.238 -0.000 2.448) 4.059 22.376 ( -4.576 -0.000 -1.390) 4.782 22.414 ( -4.323 -0.000 0.613) 4.367 24.483 ( 18.276 0.000 -3.877) 18.683 24.494 ( 18.717 0.000 7.593) 20.199 24.997 ( 0.001 0.000 3.510) 3.510 25.080 ( 1.058 0.000 -4.085) 4.219 25.757 ( 2.521 0.000 -0.040) 2.522 25.793 ( 4.905 0.000 0.928) 4.992 ======================= Grid point 223 (94/117) ======================= q-point: ( 0.20 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( 6.701 -19.624 -10.786) 23.374 1.464 ( 8.050 -7.971 -21.701) 24.481 1.487 ( 19.945 -3.337 3.263) 20.484 1.828 ( 9.471 -10.621 9.711) 17.228 2.083 ( 4.857 -2.904 10.655) 12.065 2.121 ( -1.513 1.887 3.524) 4.274 2.467 ( 15.074 2.567 1.371) 15.353 2.568 ( 17.153 -6.439 -11.276) 21.514 2.811 ( 12.451 -15.583 6.733) 21.052 2.907 ( 17.920 0.316 -5.431) 18.727 3.012 ( 0.531 0.125 2.487) 2.546 3.121 ( 10.155 0.533 -8.103) 13.003 3.292 ( -1.653 -0.872 -0.095) 1.871 3.423 ( -1.412 -3.434 2.206) 4.319 3.582 ( -0.342 5.364 -0.839) 5.440 3.766 ( -1.366 -0.582 -1.355) 2.010 3.844 ( 1.832 -0.781 -2.425) 3.138 4.003 ( 6.145 0.144 2.252) 6.546 4.041 ( 5.066 0.021 -0.525) 5.093 4.268 ( 7.378 0.862 10.796) 13.105 4.611 ( -5.775 -2.855 -3.635) 7.397 4.859 ( -0.759 8.630 8.126) 11.878 4.961 ( -6.623 -3.605 5.909) 9.580 5.165 ( 4.637 7.474 -9.577) 13.003 5.347 ( 2.625 -8.436 6.592) 11.023 5.434 ( 6.430 -5.866 -5.786) 10.451 5.917 ( 3.722 -1.791 -4.605) 6.186 5.965 ( 7.056 -2.941 3.481) 8.400 6.416 ( -0.158 5.266 -5.973) 7.964 6.539 ( -2.981 -0.842 -5.062) 5.935 6.909 ( -7.113 7.621 3.627) 11.038 6.976 ( -1.158 -3.843 10.510) 11.250 7.245 ( -1.087 11.572 -2.011) 11.796 7.340 ( -8.451 4.194 -7.187) 11.860 7.452 ( 1.735 3.501 4.450) 5.922 7.594 ( 6.738 2.322 3.502) 7.941 8.057 ( -2.364 1.537 4.928) 5.678 8.281 ( -6.993 5.381 -6.442) 10.925 8.381 ( -4.426 0.784 7.530) 8.769 8.624 ( -3.203 0.612 -4.579) 5.621 8.751 ( -4.637 0.431 -5.583) 7.271 8.825 ( -1.561 0.923 -0.132) 1.818 9.212 ( 13.587 -5.052 -2.430) 14.698 9.503 ( -2.045 -0.482 -0.681) 2.208 9.734 ( -0.207 -1.932 -6.292) 6.585 9.808 ( -7.183 -2.929 3.211) 8.395 9.958 ( 5.715 -2.450 3.459) 7.116 10.263 ( 3.620 -18.976 12.387) 22.948 11.110 ( -0.446 -2.125 -0.400) 2.208 11.492 ( 8.963 1.206 -0.114) 9.045 11.826 ( 5.798 1.191 4.480) 7.423 12.121 ( 8.011 4.881 -3.979) 10.190 12.660 ( -12.340 6.173 -0.811) 13.822 12.872 ( -9.299 -2.991 -5.872) 11.397 13.270 ( -6.875 13.489 -15.821) 21.898 13.623 ( -7.619 13.440 12.759) 20.037 15.393 ( -2.750 -10.575 -0.514) 10.939 15.478 ( -1.416 -13.082 0.653) 13.174 20.687 ( 8.644 2.256 -1.283) 9.025 21.001 ( 8.988 -4.057 9.077) 13.402 21.350 ( -5.639 4.320 -2.577) 7.556 21.426 ( -0.187 3.105 -0.895) 3.236 21.476 ( -0.825 3.715 -2.037) 4.317 21.938 ( 1.386 -6.587 0.521) 6.751 22.299 ( -4.483 2.242 -0.857) 5.085 22.337 ( -6.121 2.604 0.096) 6.652 24.290 ( 13.607 19.824 -1.305) 24.080 24.648 ( 4.544 3.942 2.335) 6.452 24.984 ( -2.531 -1.474 -2.405) 3.790 25.256 ( -2.046 -2.811 1.730) 3.884 25.878 ( 5.127 -7.783 -1.031) 9.376 26.068 ( 10.843 -19.559 5.971) 23.146 ======================= Grid point 224 (95/117) ======================= q-point: ( 0.30 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( 1.472 -6.172 -2.578) 6.849 1.699 ( 6.310 -12.059 -11.129) 17.581 1.786 ( 19.728 -1.782 3.867) 20.182 2.120 ( -0.570 -4.051 0.420) 4.112 2.200 ( 14.275 -14.976 -1.950) 20.781 2.248 ( 4.361 -8.225 9.014) 12.958 2.515 ( 5.644 1.831 1.102) 6.035 2.683 ( 7.566 7.846 0.196) 10.902 2.904 ( -0.675 6.567 -0.683) 6.637 2.955 ( 3.768 0.970 0.403) 3.911 3.186 ( 7.370 2.007 -2.014) 7.899 3.371 ( 8.190 -17.858 -2.148) 19.764 3.426 ( 2.942 5.449 0.062) 6.193 3.505 ( 5.497 -9.498 -2.818) 11.330 3.617 ( 10.986 -7.560 -0.107) 13.336 3.759 ( 5.716 -8.147 -6.003) 11.623 3.953 ( 7.920 -0.413 2.332) 8.267 4.093 ( 5.000 -3.135 -0.125) 5.903 4.121 ( 8.103 -3.863 -2.157) 9.232 4.331 ( 2.588 2.219 15.643) 16.010 4.629 ( 1.700 -1.151 0.813) 2.208 4.682 ( -6.718 2.608 4.632) 8.567 5.016 ( -3.593 -6.448 -0.539) 7.402 5.064 ( 5.000 5.427 -9.799) 12.266 5.546 ( -0.025 -7.195 6.510) 9.703 5.555 ( 2.138 -3.007 -1.173) 3.872 5.864 ( -5.615 5.393 0.487) 7.801 6.209 ( 13.268 -8.554 0.966) 15.816 6.345 ( 3.124 5.666 -9.860) 11.793 6.447 ( -7.666 9.597 -3.009) 12.646 6.538 ( 2.162 12.684 -6.182) 14.275 7.047 ( 2.409 6.848 5.511) 9.114 7.079 ( -8.125 -4.024 8.943) 12.735 7.208 ( -2.763 3.212 -2.123) 4.739 7.400 ( -1.584 2.944 3.921) 5.152 7.584 ( 5.756 9.125 4.356) 11.635 7.925 ( -5.508 6.166 7.466) 11.140 8.130 ( -3.425 3.537 -9.586) 10.777 8.394 ( -3.236 -3.409 6.412) 7.950 8.524 ( -7.856 1.842 -2.611) 8.481 8.688 ( -1.638 1.104 -6.796) 7.077 8.799 ( -1.656 1.206 -3.483) 4.040 9.346 ( -2.435 -1.093 -3.894) 4.721 9.460 ( 4.381 2.081 7.050) 8.557 9.643 ( -17.939 -3.492 -5.295) 19.027 9.943 ( 4.566 -7.823 -1.588) 9.196 10.130 ( 11.187 -6.225 1.896) 12.942 10.653 ( 1.920 -14.269 6.912) 15.971 11.186 ( -0.642 -6.768 5.740) 8.897 11.549 ( 4.779 -0.603 2.549) 5.450 11.874 ( 11.805 4.245 -3.946) 13.151 12.050 ( 3.249 7.096 -2.032) 8.064 12.436 ( -5.427 7.058 0.708) 8.931 12.725 ( -8.705 5.918 -14.281) 17.741 13.115 ( -3.141 -1.378 -1.030) 3.581 13.358 ( -0.690 13.446 8.474) 15.909 15.534 ( -3.457 -8.424 -0.137) 9.107 15.697 ( -2.910 -12.858 0.408) 13.190 20.734 ( 7.012 1.114 -0.210) 7.103 21.135 ( 4.586 2.502 -0.198) 5.228 21.208 ( -2.354 -0.542 1.867) 3.053 21.366 ( 0.118 2.707 -0.441) 2.745 21.473 ( -1.273 -1.099 -0.147) 1.688 22.004 ( 3.509 3.414 -0.102) 4.897 22.224 ( -1.743 2.774 0.476) 3.311 22.229 ( -6.025 0.421 -0.655) 6.075 24.117 ( 7.251 10.872 -1.857) 13.199 24.597 ( 0.125 4.361 4.603) 6.342 24.954 ( -2.173 1.268 -5.692) 6.223 25.205 ( -3.300 1.857 1.045) 3.928 26.082 ( 4.561 -9.059 -1.181) 10.211 26.487 ( 5.945 -13.327 5.145) 15.473 ======================= Grid point 225 (96/117) ======================= q-point: ( 0.40 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 4.393 0.766 1.496) 4.703 1.946 ( 13.969 2.371 0.159) 14.170 1.995 ( 4.552 -13.206 -8.774) 16.495 2.205 ( -0.002 -3.669 2.896) 4.674 2.349 ( 5.702 -2.692 6.222) 8.859 2.518 ( 0.071 3.666 0.070) 3.667 2.572 ( 4.469 5.398 3.233) 7.718 2.680 ( 12.471 -13.775 -1.461) 18.639 2.793 ( 4.222 4.814 -3.115) 7.120 2.981 ( 3.181 -0.352 -0.340) 3.219 3.200 ( 5.186 2.031 -0.068) 5.570 3.294 ( 2.756 8.857 0.513) 9.290 3.575 ( -2.597 0.669 -3.805) 4.656 3.646 ( 5.449 -4.380 -2.076) 7.292 3.756 ( -1.735 -7.036 -0.768) 7.287 3.976 ( 8.408 3.880 0.767) 9.292 4.089 ( 10.114 -2.094 8.549) 13.407 4.269 ( 3.540 -7.396 -5.624) 9.942 4.337 ( 12.630 -14.094 -0.606) 18.935 4.384 ( 0.240 -2.167 6.163) 6.538 4.613 ( -4.018 -8.086 0.889) 9.073 4.793 ( 4.143 -0.954 -0.874) 4.340 5.007 ( 0.294 -0.362 -0.963) 1.070 5.123 ( 1.447 -6.832 -1.753) 7.201 5.445 ( -14.021 10.963 6.425) 18.923 5.531 ( -0.968 8.548 -3.442) 9.266 5.805 ( -3.272 -7.776 -0.118) 8.437 5.983 ( -4.940 12.731 -5.304) 14.650 6.260 ( -0.853 6.102 -2.237) 6.555 6.447 ( 3.380 -0.291 -4.854) 5.922 6.668 ( 19.527 -5.766 1.224) 20.397 6.945 ( 1.234 6.145 2.572) 6.775 7.117 ( 3.020 5.661 4.130) 7.630 7.154 ( -11.025 -7.076 1.269) 13.162 7.333 ( 2.187 3.656 3.806) 5.713 7.433 ( 2.862 8.785 1.722) 9.399 7.884 ( 5.064 1.084 5.003) 7.201 8.015 ( -4.824 2.037 -5.936) 7.916 8.374 ( -10.567 4.645 2.253) 11.761 8.445 ( -2.764 -3.233 6.234) 7.547 8.640 ( -1.136 1.245 -8.388) 8.556 8.727 ( 0.190 3.198 -6.524) 7.268 9.278 ( -3.612 1.881 -1.031) 4.200 9.499 ( -7.554 -0.909 1.928) 7.849 9.560 ( -8.906 -8.119 -0.397) 12.058 10.095 ( 6.871 -3.205 -1.423) 7.714 10.329 ( 5.140 -3.253 0.287) 6.090 10.863 ( 0.190 -10.366 1.373) 10.458 11.320 ( -3.853 -5.800 9.953) 12.147 11.650 ( 4.339 -3.884 3.606) 6.849 11.857 ( 10.478 6.507 -13.077) 17.976 11.983 ( 3.941 4.518 2.484) 6.489 12.321 ( -0.766 3.727 5.377) 6.587 12.490 ( -6.520 6.275 -10.878) 14.150 13.045 ( -3.279 7.363 0.164) 8.062 13.252 ( 2.372 1.096 3.645) 4.485 15.631 ( -1.866 -5.583 0.024) 5.886 15.868 ( -3.164 -9.463 0.155) 9.979 20.780 ( 5.042 0.684 -0.071) 5.089 21.062 ( 1.317 3.528 -3.366) 5.051 21.292 ( -0.958 -3.915 4.169) 5.799 21.327 ( 1.470 1.281 0.646) 2.054 21.474 ( -1.984 -0.880 0.164) 2.176 21.884 ( -1.698 8.881 -1.832) 9.225 22.174 ( -0.775 1.336 0.591) 1.654 22.215 ( 0.192 -0.591 -0.162) 0.642 24.018 ( 4.410 6.415 -1.578) 7.943 24.533 ( -1.285 3.321 4.440) 5.692 24.880 ( -0.852 2.890 -4.752) 5.627 25.170 ( -2.727 -0.730 0.702) 2.909 26.267 ( 3.562 -6.973 -0.850) 7.876 26.695 ( 1.373 -5.564 2.511) 6.257 ======================= Grid point 226 (97/117) ======================= q-point: ( 0.50 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( 8.957 2.411 -1.238) 9.358 2.019 ( 8.038 0.170 -4.211) 9.075 2.097 ( 4.875 1.204 -0.141) 5.023 2.250 ( -0.474 -0.658 3.486) 3.579 2.387 ( -0.844 7.594 4.581) 8.909 2.500 ( 1.900 -1.498 4.103) 4.763 2.613 ( 3.766 -0.137 -0.339) 3.784 2.745 ( 9.186 -0.307 -7.052) 11.585 2.939 ( 4.653 0.226 4.485) 6.467 3.023 ( 4.507 0.199 -3.048) 5.445 3.201 ( 5.649 2.134 -1.219) 6.161 3.316 ( 1.767 -5.460 -0.437) 5.755 3.496 ( 1.193 2.561 -1.451) 3.176 3.625 ( 0.963 7.606 2.541) 8.077 3.808 ( -2.960 -2.677 -1.132) 4.148 4.069 ( 9.525 -1.309 4.057) 10.435 4.131 ( -0.162 6.986 -2.419) 7.395 4.368 ( -8.629 3.995 -1.446) 9.618 4.388 ( 1.288 -7.371 1.032) 7.553 4.542 ( 2.238 -3.632 2.153) 4.779 4.760 ( 2.060 -10.723 -0.965) 10.962 4.899 ( -10.253 16.223 -1.256) 19.233 4.932 ( 3.423 -12.712 2.031) 13.321 5.140 ( 0.329 2.077 2.634) 3.370 5.315 ( 4.382 4.633 -7.279) 9.677 5.409 ( -0.585 -6.079 3.736) 7.159 5.783 ( -1.153 2.046 3.192) 3.963 5.990 ( -2.960 -8.901 -0.299) 9.385 6.147 ( -0.590 3.578 -4.626) 5.878 6.386 ( -4.225 2.816 -3.347) 6.081 6.763 ( -8.722 9.889 -3.029) 13.529 6.897 ( 4.715 2.768 2.440) 5.987 6.999 ( -5.728 4.843 -0.118) 7.502 7.093 ( 0.881 0.715 3.119) 3.319 7.389 ( 4.155 0.692 2.997) 5.170 7.505 ( 17.050 -3.574 1.479) 17.483 7.903 ( -6.481 3.550 -0.730) 7.426 7.970 ( 3.828 -1.176 0.781) 4.080 8.218 ( -2.103 1.284 3.048) 3.919 8.504 ( -1.606 -3.696 4.862) 6.315 8.562 ( -1.478 1.849 -2.934) 3.770 8.685 ( 2.584 1.720 -8.862) 9.390 9.216 ( -1.355 1.163 -1.163) 2.131 9.480 ( -7.537 -5.875 -2.250) 9.818 9.634 ( -5.559 -6.601 3.250) 9.222 10.187 ( 7.981 1.480 -0.076) 8.118 10.341 ( -3.522 0.216 -2.575) 4.369 11.056 ( -3.866 -8.825 5.828) 11.260 11.373 ( -0.924 -2.626 6.348) 6.931 11.673 ( 2.458 5.386 -6.879) 9.076 11.877 ( 3.704 -1.603 0.865) 4.127 11.953 ( 4.000 2.792 -0.194) 4.882 12.250 ( -0.039 5.426 1.171) 5.551 12.407 ( 1.599 -2.831 -4.940) 5.914 12.876 ( 0.499 8.570 0.082) 8.585 13.271 ( -1.061 -0.284 1.701) 2.025 15.703 ( 0.440 -3.334 0.375) 3.384 15.973 ( -2.773 -5.612 -0.361) 6.270 20.805 ( 3.703 1.206 -0.381) 3.912 21.029 ( 1.434 1.716 -0.067) 2.237 21.295 ( -0.088 0.037 0.126) 0.158 21.397 ( -0.335 -4.578 2.628) 5.290 21.467 ( -2.454 -0.711 0.243) 2.566 21.690 ( -4.367 8.098 -2.607) 9.563 22.153 ( 0.328 0.937 -0.199) 1.013 22.227 ( 0.907 0.145 0.159) 0.933 23.968 ( 4.780 3.625 -1.370) 6.154 24.478 ( -2.077 1.916 1.509) 3.204 24.833 ( 0.540 1.236 0.694) 1.517 25.166 ( -2.414 -1.412 -0.997) 2.969 26.391 ( 3.004 -3.223 -0.358) 4.421 26.757 ( -1.473 -1.636 0.733) 2.320 ======================= Grid point 227 (98/117) ======================= q-point: (-0.40 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( 13.916 2.620 -4.391) 14.825 2.077 ( 4.539 0.031 -3.374) 5.656 2.112 ( 3.286 3.736 4.747) 6.876 2.215 ( 2.394 5.052 0.521) 5.615 2.370 ( -0.539 -5.026 4.398) 6.700 2.505 ( 4.110 3.184 1.822) 5.509 2.575 ( 2.644 3.180 -2.457) 4.810 2.857 ( 12.457 3.435 -3.914) 13.502 2.899 ( -1.238 4.130 4.766) 6.426 3.010 ( -0.491 4.535 -4.510) 6.415 3.107 ( -5.913 12.592 2.436) 14.123 3.323 ( -2.492 0.652 1.833) 3.162 3.498 ( -0.280 1.242 -2.082) 2.441 3.603 ( 9.379 -2.433 -2.261) 9.950 3.775 ( -5.879 2.040 -0.788) 6.272 3.982 ( -0.731 7.871 -2.096) 8.178 4.120 ( -3.841 3.749 3.807) 6.580 4.313 ( -3.874 -10.747 4.790) 12.387 4.333 ( -8.426 13.622 -6.638) 17.338 4.512 ( -3.484 0.027 1.474) 3.783 4.842 ( 2.303 -12.838 4.659) 13.850 4.879 ( 1.462 -0.460 0.307) 1.563 5.038 ( -4.618 -0.641 0.995) 4.767 5.119 ( -0.910 12.780 -2.007) 12.968 5.326 ( 10.634 -10.270 4.866) 15.564 5.538 ( 9.509 0.170 -4.089) 10.352 5.868 ( 0.298 -7.732 4.203) 8.806 5.958 ( -0.942 6.292 -3.848) 7.435 6.196 ( -5.480 -10.619 -2.763) 12.265 6.282 ( -3.635 4.509 -0.160) 5.794 6.445 ( -14.517 8.812 -2.568) 17.175 6.661 ( -16.874 6.647 0.382) 18.140 6.953 ( 4.971 4.168 -2.149) 6.834 7.136 ( -0.730 -0.880 -3.999) 4.159 7.410 ( 4.926 3.559 6.431) 8.848 7.697 ( 8.462 1.659 2.351) 8.938 7.738 ( -5.497 -0.464 1.871) 5.825 8.030 ( 4.160 -1.140 0.613) 4.357 8.336 ( 9.953 -5.822 -5.619) 12.827 8.536 ( -0.159 -0.957 1.743) 1.995 8.588 ( 2.509 -1.861 1.704) 3.558 8.679 ( 0.546 -1.788 -0.300) 1.893 9.228 ( 1.858 -2.638 -1.505) 3.560 9.510 ( -0.501 -2.244 -3.171) 3.917 9.698 ( -8.752 -7.520 1.217) 11.603 10.169 ( -5.171 2.462 2.825) 6.386 10.322 ( 7.047 2.182 -3.538) 8.181 11.045 ( -9.690 2.443 4.578) 10.992 11.461 ( 0.368 -2.743 2.029) 3.432 11.556 ( -0.277 4.999 -4.594) 6.794 11.919 ( 6.601 3.091 -3.070) 7.909 11.960 ( -0.626 -0.532 8.559) 8.598 12.199 ( 2.296 0.999 -0.448) 2.544 12.515 ( 4.574 -6.098 -4.714) 8.963 12.783 ( 2.996 2.713 -0.796) 4.120 13.236 ( -4.656 1.321 1.462) 5.055 15.762 ( 2.861 -1.185 0.794) 3.197 16.013 ( -2.342 -1.934 -0.870) 3.160 20.809 ( 3.469 2.323 -0.847) 4.259 21.018 ( -0.135 0.756 3.356) 3.442 21.312 ( 1.877 -0.600 -0.304) 1.994 21.435 ( -2.123 2.844 -2.129) 4.139 21.474 ( -1.253 -3.844 -1.008) 4.167 21.526 ( -7.518 0.767 1.373) 7.681 22.145 ( 0.877 0.332 -0.751) 1.202 22.230 ( 0.194 0.042 0.106) 0.225 23.981 ( 6.561 0.904 -1.300) 6.749 24.432 ( -3.527 0.067 -1.137) 3.706 24.855 ( 2.225 -1.101 5.863) 6.367 25.164 ( -2.235 -1.513 -2.812) 3.897 26.438 ( 2.943 1.389 0.331) 3.270 26.739 ( -3.501 0.852 -0.736) 3.677 ======================= Grid point 228 (99/117) ======================= q-point: (-0.30 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( 15.458 4.862 -7.811) 17.989 2.040 ( 6.908 10.150 3.822) 12.859 2.086 ( 2.838 3.803 -0.744) 4.803 2.173 ( 2.451 3.052 0.604) 3.960 2.406 ( -3.083 2.269 0.293) 3.839 2.495 ( -2.356 8.492 -0.840) 8.852 2.537 ( -1.634 -1.615 -1.989) 3.039 2.708 ( -0.093 17.612 5.441) 18.433 2.772 ( -2.706 11.006 1.471) 11.429 2.847 ( -4.126 0.251 6.581) 7.772 2.994 ( 6.412 -2.368 -6.347) 9.327 3.338 ( 4.367 -1.268 1.744) 4.870 3.521 ( -10.553 2.075 3.044) 11.178 3.618 ( -5.974 3.891 -1.802) 7.353 3.651 ( 1.312 -1.059 -5.117) 5.388 3.819 ( -3.664 0.230 0.125) 3.673 3.992 ( 2.521 5.348 -4.482) 7.419 4.200 ( -1.880 4.121 3.762) 5.888 4.350 ( -11.239 9.458 1.325) 14.749 4.449 ( -8.334 -4.042 -1.704) 9.418 4.707 ( 3.936 19.535 -0.138) 19.928 4.857 ( -1.700 10.266 5.145) 11.608 5.016 ( 1.697 -2.042 -1.932) 3.284 5.116 ( -3.216 -5.717 2.158) 6.905 5.573 ( 8.550 -1.234 1.512) 8.770 5.616 ( 6.608 -3.437 -6.223) 9.706 5.942 ( 0.233 -11.316 3.354) 11.805 5.963 ( 2.533 1.414 -2.828) 4.052 6.150 ( -2.293 2.098 4.874) 5.781 6.232 ( -8.636 3.184 -1.443) 9.317 6.256 ( -11.039 0.514 3.504) 11.593 6.497 ( -11.015 -11.493 -4.303) 16.490 6.949 ( 2.285 -0.092 -0.997) 2.495 7.080 ( -2.854 0.271 -8.147) 8.637 7.444 ( 5.393 0.024 1.808) 5.688 7.648 ( -1.797 -1.534 1.072) 2.595 7.849 ( 8.693 2.044 3.732) 9.679 8.071 ( -0.497 -1.786 1.525) 2.401 8.484 ( 6.572 -0.465 -9.339) 11.429 8.587 ( 8.160 -4.859 -0.012) 9.497 8.666 ( -2.927 -2.341 6.685) 7.664 8.746 ( 0.856 -5.342 3.885) 6.661 9.307 ( 2.158 -2.508 -1.313) 3.560 9.539 ( 7.747 2.068 -1.500) 8.158 9.721 ( -12.889 -7.382 -2.900) 15.134 10.042 ( -13.553 1.670 2.623) 13.905 10.355 ( 15.653 6.878 -1.655) 17.178 10.871 ( -9.193 6.693 2.251) 11.592 11.411 ( -6.230 2.487 5.012) 8.374 11.470 ( -0.670 5.928 -8.610) 10.475 11.880 ( 5.897 4.477 -3.073) 8.016 12.019 ( 1.552 -0.311 6.550) 6.738 12.262 ( 5.782 -3.835 5.928) 9.126 12.679 ( 2.466 -9.317 -6.116) 11.415 12.838 ( 3.594 -4.778 -0.801) 6.033 13.157 ( -6.151 0.980 0.983) 6.305 15.803 ( 4.762 1.302 1.159) 5.071 15.990 ( -2.235 1.765 -1.262) 3.115 20.783 ( 3.709 4.207 -1.125) 5.720 21.009 ( -3.777 0.261 4.015) 5.518 21.292 ( -0.022 3.456 -2.437) 4.229 21.379 ( 2.315 -0.048 0.328) 2.339 21.474 ( -2.794 -0.905 0.448) 2.971 21.547 ( -7.551 -6.733 -0.571) 10.134 22.163 ( 1.773 -1.335 -0.670) 2.319 22.237 ( -0.446 -1.241 -0.084) 1.322 24.054 ( 8.352 -0.788 -1.078) 8.458 24.399 ( -5.754 -1.852 -1.628) 6.260 24.942 ( 3.889 -2.981 7.587) 9.032 25.163 ( -2.119 -1.966 -3.855) 4.819 26.401 ( 3.334 6.453 1.411) 7.399 26.644 ( -5.727 4.561 -2.489) 7.733 ======================= Grid point 229 (100/117) ======================= q-point: (-0.20 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( 13.412 16.173 -10.286) 23.394 1.893 ( 7.390 19.941 -0.848) 21.283 1.954 ( 1.368 10.610 2.551) 10.998 2.124 ( -1.316 4.000 1.411) 4.441 2.180 ( -10.520 14.001 9.858) 20.097 2.205 ( -8.042 6.974 -3.306) 11.146 2.511 ( 1.080 0.234 -1.049) 1.524 2.540 ( -2.301 3.021 2.869) 4.759 2.742 ( 4.771 -0.836 -5.950) 7.672 2.827 ( -6.970 -1.682 7.845) 10.628 3.094 ( 7.111 0.066 -3.250) 7.818 3.300 ( -13.345 5.505 2.712) 14.688 3.419 ( 1.695 -0.322 2.990) 3.452 3.499 ( -4.401 2.790 -4.463) 6.861 3.674 ( 4.073 8.523 1.001) 9.499 3.818 ( -6.451 4.550 -0.956) 7.952 3.861 ( 3.194 5.517 -3.037) 7.062 3.933 ( -4.624 16.867 2.351) 17.647 4.131 ( -0.872 4.278 3.736) 5.746 4.240 ( -6.533 9.776 -5.568) 13.010 4.597 ( 6.941 -0.075 -2.914) 7.528 4.726 ( -6.978 0.071 4.319) 8.207 5.017 ( 4.709 2.301 -0.596) 5.275 5.108 ( -3.859 1.371 0.706) 4.156 5.622 ( 2.633 2.562 -2.101) 4.232 5.650 ( -0.690 4.661 -0.868) 4.791 5.994 ( -0.973 3.789 -0.616) 3.960 6.017 ( -2.828 3.816 -1.549) 4.996 6.036 ( 1.156 -6.484 -2.515) 7.050 6.219 ( -10.862 -8.713 5.839) 15.099 6.472 ( 9.664 -21.326 11.759) 26.201 6.698 ( -7.986 -19.071 -7.158) 21.880 6.987 ( 1.671 -1.204 3.597) 4.145 7.057 ( -0.663 -1.460 -10.468) 10.590 7.523 ( 7.210 -1.140 0.107) 7.301 7.646 ( -1.697 1.763 0.370) 2.475 7.918 ( 6.548 -2.808 0.686) 7.157 8.062 ( -5.621 -0.807 -0.777) 5.731 8.558 ( 6.546 -2.441 -1.800) 7.215 8.658 ( -3.655 -1.127 2.984) 4.851 8.764 ( 7.149 -3.620 -0.873) 8.061 8.855 ( -1.634 -3.984 3.872) 5.791 9.327 ( 6.822 3.411 -2.215) 7.943 9.544 ( -4.427 2.791 2.669) 5.875 9.720 ( -2.142 -3.492 -2.963) 5.056 9.879 ( -11.312 1.625 0.041) 11.428 10.359 ( 15.278 10.025 0.299) 18.275 10.622 ( -11.012 10.636 -0.922) 15.337 11.303 ( 0.497 6.209 -7.021) 9.385 11.332 ( -5.945 2.439 5.758) 8.628 11.876 ( 8.034 3.005 -5.020) 9.938 11.995 ( -5.079 2.104 4.802) 7.300 12.513 ( 13.085 -10.540 10.248) 19.681 12.820 ( -8.576 -11.055 -8.349) 16.293 13.002 ( 5.469 -7.538 2.878) 9.748 13.123 ( -3.363 -3.842 -2.011) 5.487 15.808 ( 5.454 4.581 0.714) 7.158 15.897 ( -2.570 5.631 -0.807) 6.242 20.737 ( 5.417 5.306 -0.603) 7.607 20.904 ( -9.928 4.022 -0.395) 10.719 21.316 ( 5.992 -2.852 3.028) 7.295 21.411 ( 1.002 -0.977 -0.185) 1.411 21.472 ( -0.813 -0.881 0.992) 1.556 21.571 ( -9.341 -5.760 -2.211) 11.194 22.229 ( 2.667 -3.578 -0.064) 4.463 22.272 ( -0.906 -3.496 -0.374) 3.631 24.157 ( 10.007 -0.482 -0.327) 10.024 24.362 ( -9.055 -2.153 -1.092) 9.371 25.070 ( 5.191 -3.848 5.143) 8.259 25.176 ( -2.597 -3.126 -2.953) 5.024 26.282 ( 4.313 11.587 2.954) 12.711 26.431 ( -7.883 10.877 -4.382) 14.130 ======================= Grid point 230 (101/117) ======================= q-point: (-0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( 12.497 21.844 -11.428) 27.639 1.440 ( -12.497 21.844 11.428) 27.639 1.821 ( 11.476 14.184 -13.428) 22.654 1.821 ( -11.476 14.184 13.428) 22.654 2.094 ( -0.304 4.172 -9.615) 10.485 2.094 ( 0.304 4.172 9.615) 10.485 2.504 ( 1.794 0.457 -3.563) 4.016 2.504 ( -1.794 0.457 3.563) 4.016 2.723 ( -7.294 11.649 -2.880) 14.043 2.723 ( 7.294 11.649 2.880) 14.043 3.037 ( -0.916 6.749 -5.563) 8.794 3.037 ( 0.916 6.749 5.563) 8.794 3.377 ( 4.052 3.414 -6.523) 8.404 3.377 ( -4.052 3.414 6.523) 8.404 3.645 ( -0.195 -2.198 -5.237) 5.683 3.645 ( 0.195 -2.198 5.237) 5.683 3.834 ( -0.389 -0.084 -2.237) 2.272 3.834 ( 0.389 -0.084 2.237) 2.272 4.075 ( 0.438 5.428 -13.365) 14.432 4.075 ( -0.438 5.428 13.365) 14.432 4.713 ( 0.950 -4.293 -8.928) 9.952 4.713 ( -0.950 -4.293 8.928) 9.952 5.065 ( -0.798 -1.968 -3.166) 3.812 5.065 ( 0.798 -1.968 3.166) 3.812 5.498 ( 2.661 10.312 -3.743) 11.289 5.498 ( -2.661 10.312 3.743) 11.289 5.900 ( 1.518 4.167 -6.220) 7.639 5.900 ( -1.518 4.167 6.220) 7.639 6.336 ( -1.115 -13.919 -3.988) 14.522 6.336 ( 1.115 -13.919 3.988) 14.522 6.924 ( -4.878 -13.310 -4.814) 14.971 6.924 ( 4.878 -13.310 4.814) 14.971 7.035 ( -0.094 -2.015 -6.527) 6.832 7.035 ( 0.094 -2.015 6.527) 6.832 7.586 ( -2.058 1.231 -1.339) 2.747 7.586 ( 2.058 1.231 1.339) 2.747 8.051 ( -4.695 -4.512 -3.017) 7.177 8.051 ( 4.695 -4.512 3.017) 7.177 8.661 ( -3.109 -3.089 -2.685) 5.139 8.661 ( 3.109 -3.089 2.685) 5.139 8.841 ( -5.117 1.642 -1.225) 5.512 8.841 ( 5.117 1.642 1.225) 5.512 9.347 ( -8.219 6.489 -7.415) 12.831 9.347 ( 8.219 6.489 7.415) 12.831 9.778 ( -3.484 0.317 -6.941) 7.773 9.778 ( 3.484 0.317 6.941) 7.773 10.297 ( -9.100 11.429 -4.053) 15.162 10.297 ( 9.100 11.429 4.053) 15.162 11.246 ( 4.440 2.273 -5.217) 7.218 11.246 ( -4.440 2.273 5.217) 7.218 11.899 ( 7.696 1.826 -6.021) 9.941 11.899 ( -7.696 1.826 6.021) 9.941 12.871 ( -10.580 -8.763 -5.256) 14.709 12.871 ( 10.580 -8.763 5.256) 14.709 13.247 ( -3.074 -15.775 -11.650) 19.850 13.247 ( 3.074 -15.775 11.650) 19.850 15.730 ( 1.035 9.917 -0.602) 9.989 15.730 ( -1.035 9.917 0.602) 9.989 20.711 ( -6.107 5.442 -2.840) 8.658 20.711 ( 6.107 5.442 2.840) 8.658 21.428 ( -1.545 -1.014 -1.117) 2.159 21.428 ( 1.545 -1.014 1.117) 2.159 21.568 ( -9.548 -6.779 -3.852) 12.327 21.568 ( 9.548 -6.779 3.852) 12.327 22.334 ( -1.977 -4.818 -0.722) 5.258 22.334 ( 1.977 -4.818 0.722) 5.258 24.269 ( -9.029 0.454 -3.814) 9.812 24.269 ( 9.029 0.454 3.814) 9.812 25.187 ( -4.473 -1.719 -2.028) 5.203 25.187 ( 4.473 -1.719 2.028) 5.203 26.093 ( -3.000 15.997 -7.465) 17.906 26.093 ( 3.000 15.997 7.465) 17.906 ======================= Grid point 234 (102/117) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( 18.826 0.000 -15.209) 24.202 1.310 ( 2.873 0.000 -32.328) 32.456 1.742 ( 14.921 0.000 10.262) 18.109 1.813 ( 9.576 0.000 8.616) 12.881 2.123 ( 2.078 0.000 -1.200) 2.399 2.243 ( 8.570 0.000 10.434) 13.503 2.580 ( 7.510 0.000 -2.168) 7.817 2.704 ( 17.031 0.000 14.503) 22.369 2.934 ( 30.867 0.000 1.662) 30.912 3.001 ( 0.039 0.000 3.393) 3.394 3.108 ( 18.017 0.000 -5.208) 18.755 3.219 ( 10.621 0.000 -11.138) 15.390 3.258 ( 3.530 0.000 -14.684) 15.103 3.395 ( 5.431 0.000 8.584) 10.158 3.654 ( 0.264 0.000 -0.836) 0.877 3.671 ( -0.655 -0.000 -2.810) 2.885 3.919 ( 1.855 0.000 1.652) 2.484 4.007 ( 0.419 0.000 3.275) 3.302 4.090 ( 2.202 0.000 4.318) 4.847 4.375 ( 4.707 0.000 4.212) 6.316 4.500 ( -4.782 -0.000 -1.622) 5.049 4.883 ( -2.132 -0.000 -2.318) 3.150 4.974 ( -1.767 -0.000 9.765) 9.923 5.284 ( 1.650 0.000 18.889) 18.961 5.379 ( 6.136 0.000 -6.527) 8.959 5.381 ( 10.095 0.000 -17.237) 19.976 5.888 ( 3.196 0.000 -3.423) 4.683 6.041 ( 8.297 0.000 -0.049) 8.297 6.438 ( 0.423 0.000 -7.061) 7.074 6.493 ( -1.856 -0.000 0.320) 1.883 6.856 ( -10.693 -0.000 5.892) 12.209 6.957 ( -6.273 -0.000 4.631) 7.797 7.288 ( -2.235 -0.000 -4.794) 5.289 7.296 ( -11.601 -0.000 -4.451) 12.426 7.563 ( -7.278 -0.000 2.469) 7.685 7.602 ( 5.650 0.000 7.216) 9.165 8.055 ( -4.473 -0.000 9.987) 10.943 8.112 ( -12.670 -0.000 -4.097) 13.316 8.535 ( 0.884 0.000 8.580) 8.626 8.586 ( 1.541 0.000 -14.573) 14.654 8.679 ( -2.554 -0.000 -2.973) 3.919 8.811 ( -6.944 -0.000 1.271) 7.059 9.320 ( 15.573 0.000 -6.740) 16.969 9.417 ( -4.575 -0.000 -9.499) 10.544 9.724 ( -0.302 -0.000 8.490) 8.495 9.855 ( 1.838 0.000 -4.878) 5.212 10.019 ( 5.098 0.000 13.974) 14.875 10.040 ( 4.378 0.000 4.381) 6.194 11.100 ( 2.206 0.000 -2.405) 3.263 11.602 ( 7.513 0.000 3.175) 8.157 11.941 ( 11.525 0.000 4.305) 12.303 12.255 ( 8.691 0.000 -3.154) 9.246 12.564 ( -16.138 -0.000 2.889) 16.394 12.712 ( -9.750 -0.000 -7.847) 12.516 13.272 ( -9.410 -0.000 -18.594) 20.839 13.682 ( -9.587 -0.000 12.648) 15.870 15.289 ( 0.400 0.000 0.671) 0.781 15.342 ( 1.313 0.000 -0.561) 1.428 20.815 ( 10.655 0.000 -4.721) 11.654 21.054 ( 4.580 0.000 12.455) 13.270 21.350 ( -3.497 -0.000 -2.676) 4.403 21.414 ( -1.296 -0.000 1.130) 1.719 21.596 ( 0.962 0.000 -3.239) 3.378 21.785 ( -0.060 -0.000 0.690) 0.692 22.250 ( -7.011 -0.000 -1.231) 7.118 22.297 ( -6.979 -0.000 0.074) 6.980 24.655 ( -2.777 -0.000 2.109) 3.487 24.772 ( 11.841 0.000 -3.115) 12.244 25.018 ( -4.834 -0.000 -4.345) 6.500 25.118 ( 4.822 0.000 6.413) 8.023 25.868 ( 8.773 0.000 -1.775) 8.951 25.984 ( 10.957 0.000 6.231) 12.605 ======================= Grid point 235 (103/117) ======================= q-point: ( 0.30 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( 5.344 -9.390 -20.009) 22.740 1.537 ( 12.862 -13.874 -10.881) 21.825 1.934 ( 16.620 -5.913 3.301) 17.946 2.027 ( 6.756 -8.186 8.745) 13.752 2.127 ( 2.894 -1.276 -4.072) 5.156 2.350 ( 11.651 1.333 9.143) 14.870 2.634 ( 7.812 3.294 7.437) 11.278 2.859 ( 0.961 -1.920 -1.052) 2.391 3.018 ( 5.319 8.081 7.282) 12.109 3.057 ( 8.101 4.656 3.415) 9.948 3.182 ( 0.563 -4.791 1.019) 4.931 3.306 ( 9.954 2.512 -11.034) 15.071 3.381 ( 9.235 -5.524 -3.101) 11.199 3.587 ( -0.382 1.845 1.915) 2.687 3.640 ( 30.883 -4.350 -10.544) 32.922 3.804 ( 7.255 2.343 -1.965) 7.873 3.923 ( 8.047 -9.456 2.963) 12.765 4.063 ( -0.793 -0.352 3.094) 3.214 4.167 ( 7.365 -5.007 4.014) 9.768 4.424 ( -1.839 -5.604 1.325) 6.045 4.487 ( -0.335 1.454 5.371) 5.574 4.857 ( -6.561 1.411 7.606) 10.143 4.897 ( 2.238 6.886 -1.128) 7.328 5.214 ( 6.667 9.177 -13.974) 17.999 5.451 ( 2.277 -6.387 10.281) 12.316 5.537 ( 6.437 -3.701 -5.006) 8.955 5.911 ( -2.603 3.573 -3.944) 5.924 6.188 ( 13.247 -8.402 1.060) 15.722 6.418 ( 2.727 2.436 -6.678) 7.614 6.474 ( -4.779 2.296 0.819) 5.364 6.692 ( -6.365 6.530 -2.404) 9.430 6.884 ( -16.449 -2.643 0.454) 16.667 7.120 ( -8.894 3.225 3.688) 10.154 7.243 ( 0.404 2.792 0.183) 2.827 7.442 ( -5.936 0.856 3.941) 7.176 7.703 ( 0.906 -2.216 2.462) 3.434 7.975 ( -6.844 4.544 6.183) 10.282 8.080 ( -2.613 -1.795 2.587) 4.091 8.439 ( -0.133 6.521 2.834) 7.111 8.508 ( -5.678 4.732 -3.545) 8.197 8.660 ( -2.185 0.272 -7.201) 7.530 8.771 ( -2.964 -2.154 -1.111) 3.829 9.275 ( -4.814 1.985 -10.262) 11.507 9.487 ( -1.565 -2.881 -0.558) 3.326 9.653 ( 1.137 12.716 4.110) 13.411 9.819 ( 2.213 -7.030 1.571) 7.535 10.158 ( 14.362 -4.524 -1.828) 15.168 10.394 ( 2.540 -18.134 10.147) 20.935 11.139 ( 4.083 -1.791 -0.150) 4.461 11.628 ( 3.981 3.859 4.871) 7.380 12.056 ( 12.387 2.128 1.427) 12.649 12.237 ( 4.527 8.179 -4.094) 10.206 12.425 ( -10.979 0.124 6.053) 12.538 12.648 ( -4.894 -2.417 -15.603) 16.530 13.088 ( -5.972 4.098 -8.195) 10.937 13.547 ( -6.413 8.038 9.778) 14.190 15.361 ( -0.651 -7.004 0.879) 7.089 15.458 ( -0.585 -10.093 -0.672) 10.132 20.865 ( 9.511 3.624 -2.478) 10.475 21.150 ( 0.655 -3.574 7.825) 8.627 21.258 ( -0.338 5.715 -2.066) 6.087 21.422 ( -1.828 -1.456 0.746) 2.453 21.477 ( 2.614 7.543 -1.930) 8.213 21.958 ( 0.980 -9.771 0.704) 9.845 22.158 ( -8.699 1.225 -1.265) 8.875 22.223 ( -4.929 0.408 -0.190) 4.949 24.497 ( 5.003 15.972 -2.363) 16.903 24.701 ( 1.567 9.109 5.242) 10.626 24.921 ( -1.634 -0.636 -6.130) 6.376 25.204 ( -3.066 0.447 1.598) 3.486 26.008 ( 8.230 -5.479 -1.407) 9.987 26.291 ( 7.259 -15.614 5.611) 18.110 ======================= Grid point 236 (104/117) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( 8.632 -13.557 -10.087) 18.975 1.723 ( 3.841 -6.620 -9.170) 11.944 2.121 ( 8.792 1.649 -5.192) 10.344 2.225 ( 7.678 -2.629 11.211) 13.840 2.427 ( 5.368 -0.229 2.060) 5.754 2.447 ( 13.202 -16.714 6.204) 22.184 2.634 ( 3.911 3.140 6.783) 8.436 2.853 ( 2.217 12.984 6.834) 14.840 2.879 ( 5.017 1.714 -2.234) 5.754 3.064 ( 9.084 3.444 1.109) 9.778 3.253 ( 0.720 2.670 -2.556) 3.766 3.397 ( -0.349 -10.687 -5.537) 12.041 3.495 ( 5.199 0.278 -2.401) 5.734 3.577 ( 1.960 -2.386 -1.069) 3.268 3.805 ( 9.332 4.226 -1.777) 10.397 4.005 ( 10.154 -11.804 -5.929) 16.662 4.066 ( 4.829 0.704 2.090) 5.309 4.197 ( 4.579 -7.214 0.373) 8.552 4.366 ( 12.808 -5.120 2.128) 13.957 4.445 ( 2.723 6.313 8.361) 10.824 4.618 ( 1.268 2.842 6.018) 6.775 4.690 ( 2.897 -6.109 5.065) 8.447 4.907 ( -4.025 -4.601 -4.048) 7.332 5.140 ( 8.409 3.187 -14.419) 16.993 5.520 ( -4.474 4.364 5.823) 8.542 5.615 ( 3.179 0.206 -2.638) 4.136 5.713 ( -8.628 5.545 1.597) 10.379 6.160 ( -8.592 14.783 -7.215) 18.558 6.328 ( -6.392 4.317 -0.263) 7.718 6.464 ( 7.537 -0.752 -0.624) 7.601 6.739 ( 13.577 -5.216 0.457) 14.552 6.846 ( -13.315 -10.746 1.368) 17.165 6.992 ( -9.697 2.465 0.536) 10.020 7.218 ( 3.858 -0.406 0.082) 3.880 7.448 ( 3.908 2.071 6.371) 7.756 7.656 ( -0.388 7.847 2.327) 8.194 7.875 ( -4.019 -1.396 -0.020) 4.255 8.069 ( 3.340 4.587 2.020) 6.023 8.332 ( -9.845 2.528 4.378) 11.067 8.396 ( -3.049 0.638 3.353) 4.577 8.612 ( -1.490 -0.152 -9.676) 9.791 8.764 ( -0.452 1.205 -4.582) 4.760 9.182 ( -8.825 -2.457 -5.653) 10.764 9.382 ( -4.927 5.792 -2.691) 8.066 9.571 ( 1.735 2.022 7.001) 7.491 10.003 ( 1.998 -9.800 -0.652) 10.023 10.362 ( 9.380 -1.677 0.851) 9.567 10.667 ( -0.653 -10.694 1.227) 10.784 11.257 ( 5.014 -4.197 6.490) 9.213 11.631 ( 1.750 -0.738 6.225) 6.508 12.060 ( 4.673 7.984 -13.962) 16.748 12.119 ( 2.222 4.660 4.330) 6.738 12.376 ( 0.073 1.527 6.150) 6.337 12.543 ( 0.073 6.578 -13.657) 15.158 13.022 ( -4.461 -2.393 -1.791) 5.370 13.370 ( -2.615 7.752 6.198) 10.264 15.494 ( -0.953 -7.798 1.163) 7.941 15.640 ( -2.566 -11.460 -0.893) 11.778 20.881 ( 7.385 3.397 -0.728) 8.162 21.146 ( 1.338 4.197 -1.912) 4.802 21.238 ( -0.394 -1.944 4.522) 4.938 21.396 ( 2.978 4.056 -0.258) 5.038 21.428 ( -2.957 -1.370 -0.028) 3.259 21.957 ( -7.296 5.495 -0.927) 9.181 22.145 ( -1.541 -4.398 1.044) 4.775 22.197 ( -0.997 -1.294 -1.282) 2.077 24.272 ( 8.002 14.289 -2.846) 16.622 24.591 ( -3.197 4.363 5.941) 8.035 24.899 ( 0.031 0.987 -5.562) 5.649 25.141 ( -3.653 1.410 1.164) 4.085 26.193 ( 6.885 -6.538 -0.978) 9.545 26.575 ( 0.885 -9.704 2.995) 10.194 ======================= Grid point 237 (105/117) ======================= q-point: ( 0.50 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( 9.992 -0.229 -8.640) 13.212 2.011 ( -0.273 -16.613 -6.959) 18.014 2.140 ( 8.004 3.635 -3.404) 9.426 2.303 ( 6.093 6.655 11.959) 14.981 2.437 ( 0.011 -0.765 3.822) 3.898 2.554 ( 0.804 2.434 7.059) 7.510 2.697 ( 5.569 6.192 3.516) 9.040 2.837 ( 7.511 1.222 -5.646) 9.476 3.000 ( 9.187 -8.533 6.383) 14.070 3.118 ( 11.409 3.624 -1.071) 12.019 3.234 ( -0.397 -3.346 -1.124) 3.552 3.353 ( -0.554 8.322 -0.313) 8.346 3.546 ( 5.052 -1.177 -5.773) 7.761 3.704 ( 2.787 -3.636 -2.348) 5.148 3.801 ( 8.236 7.231 -0.166) 10.962 4.109 ( 1.333 -4.599 1.050) 4.902 4.224 ( -2.514 -5.616 0.948) 6.226 4.301 ( 2.850 4.833 5.699) 7.997 4.396 ( -4.187 6.336 -4.523) 8.839 4.459 ( -0.987 -8.516 0.087) 8.574 4.619 ( 9.110 -6.512 -0.836) 11.230 4.835 ( 0.893 0.361 0.586) 1.127 5.050 ( 4.940 -3.444 2.118) 6.383 5.204 ( -2.072 -0.019 6.019) 6.366 5.228 ( 1.159 7.063 -6.104) 9.406 5.508 ( 1.157 8.025 -5.007) 9.529 5.744 ( -3.260 -8.590 -0.561) 9.205 5.895 ( -2.374 7.054 0.364) 7.452 6.185 ( -9.129 2.373 3.447) 10.042 6.396 ( -2.709 6.182 -2.470) 7.187 6.724 ( -22.016 -0.183 -1.826) 22.093 6.820 ( -8.330 3.837 -3.181) 9.707 7.101 ( 17.659 -5.580 -0.681) 18.532 7.306 ( 7.719 9.841 5.450) 13.642 7.468 ( 8.194 -2.403 2.129) 8.800 7.606 ( 9.282 0.597 2.346) 9.592 7.877 ( -6.297 -0.534 -0.037) 6.319 7.997 ( -1.141 3.622 -1.228) 3.990 8.228 ( -2.176 0.710 5.939) 6.365 8.415 ( -2.965 -4.024 5.361) 7.329 8.564 ( -1.744 1.406 -6.991) 7.342 8.723 ( 1.894 0.557 -8.959) 9.174 9.187 ( -6.788 -7.601 -0.683) 10.213 9.249 ( -3.579 3.021 -2.833) 5.474 9.596 ( 1.801 -0.563 4.926) 5.275 10.182 ( -1.086 -8.834 -2.405) 9.220 10.354 ( 1.948 6.436 0.556) 6.747 10.842 ( -4.555 -10.182 4.879) 12.175 11.375 ( 5.557 -1.419 5.440) 7.905 11.701 ( -0.705 -1.693 2.794) 3.342 11.921 ( 1.001 4.348 -6.203) 7.641 12.069 ( 2.023 3.757 -2.431) 4.911 12.387 ( 0.698 1.388 -2.378) 2.840 12.396 ( 6.061 7.321 -1.232) 9.584 12.994 ( -0.315 3.016 -1.002) 3.194 13.274 ( -2.246 2.267 3.281) 4.577 15.622 ( 0.556 -6.396 1.152) 6.523 15.798 ( -3.503 -9.553 -1.044) 10.228 20.890 ( 5.888 2.785 -0.440) 6.528 21.098 ( 2.787 3.586 -0.071) 4.542 21.262 ( -2.635 -2.128 1.873) 3.870 21.383 ( 2.871 1.119 0.792) 3.182 21.418 ( -3.406 -1.206 -0.031) 3.614 21.757 ( -8.061 6.930 -2.102) 10.836 22.169 ( 0.303 0.050 0.417) 0.518 22.228 ( 0.238 -1.253 -0.516) 1.376 24.139 ( 7.898 8.750 -2.259) 12.001 24.500 ( -4.048 3.282 3.088) 6.058 24.868 ( 1.217 1.531 -0.199) 1.966 25.104 ( -3.769 -1.127 -0.911) 4.038 26.359 ( 5.859 -4.849 -0.651) 7.633 26.689 ( -2.775 -4.105 1.262) 5.113 ======================= Grid point 238 (106/117) ======================= q-point: ( 0.60 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( 12.088 -0.634 -5.373) 13.243 2.124 ( 1.871 -0.247 -1.571) 2.456 2.194 ( 1.768 -2.846 -3.285) 4.692 2.243 ( 0.285 5.758 4.737) 7.461 2.412 ( 3.827 2.582 4.453) 6.415 2.547 ( -0.359 1.393 5.520) 5.705 2.695 ( 5.109 5.047 -0.295) 7.188 2.930 ( 10.530 -3.213 -4.483) 11.887 3.073 ( 3.237 9.106 2.151) 9.900 3.179 ( 9.551 0.553 -0.564) 9.584 3.202 ( -7.123 2.933 2.983) 8.261 3.280 ( 1.412 1.054 -2.287) 2.887 3.590 ( 5.243 5.438 0.147) 7.556 3.711 ( 6.636 6.742 -2.824) 9.873 3.745 ( -0.804 0.125 -3.211) 3.312 4.099 ( -4.910 2.399 2.314) 5.934 4.121 ( -6.933 3.864 -1.200) 8.027 4.239 ( -0.964 2.475 5.294) 5.923 4.393 ( 2.519 1.521 -2.832) 4.084 4.653 ( -3.678 18.773 -5.814) 19.994 4.662 ( 2.294 -11.238 7.144) 13.513 4.815 ( 2.041 -4.319 0.332) 4.789 4.935 ( -2.483 -6.526 0.646) 7.012 5.140 ( -5.434 0.165 1.110) 5.548 5.431 ( 8.615 1.265 -3.227) 9.286 5.529 ( 12.117 -10.376 -0.725) 15.969 5.826 ( 2.059 2.556 6.036) 6.871 5.867 ( -7.441 -9.846 -0.451) 12.350 6.087 ( -5.904 0.979 0.330) 5.994 6.245 ( -7.918 2.769 -3.464) 9.075 6.478 ( -12.107 6.398 -4.781) 14.504 6.616 ( -12.706 5.737 -1.604) 14.033 7.158 ( 5.619 11.996 1.220) 13.302 7.226 ( 8.777 7.411 -1.283) 11.559 7.552 ( 4.823 3.497 7.088) 9.259 7.681 ( -8.340 1.898 2.223) 8.838 7.762 ( 4.072 -0.935 1.420) 4.413 8.021 ( 2.088 -4.479 -4.188) 6.477 8.315 ( 5.942 -4.765 0.834) 7.662 8.457 ( -2.315 -3.601 -0.604) 4.324 8.599 ( 3.360 -4.757 5.011) 7.683 8.711 ( 3.965 2.820 -7.951) 9.321 9.193 ( 0.332 -1.169 -3.055) 3.288 9.299 ( -7.007 -10.937 -0.389) 12.995 9.636 ( 3.071 0.294 3.125) 4.391 10.125 ( -14.096 2.862 -0.718) 14.402 10.405 ( 12.480 -2.243 -1.731) 12.798 10.917 ( -12.158 -5.269 6.520) 14.768 11.463 ( 5.350 -0.642 1.843) 5.695 11.627 ( -2.264 5.023 -4.099) 6.867 11.940 ( 0.720 -2.683 7.131) 7.653 12.025 ( 3.510 2.784 -6.460) 7.862 12.301 ( 3.422 5.285 4.039) 7.480 12.430 ( 1.943 -2.533 -6.693) 7.415 12.930 ( 5.776 5.917 -0.949) 8.323 13.215 ( -5.685 1.692 2.335) 6.374 15.741 ( 2.739 -4.628 1.118) 5.493 15.901 ( -3.811 -6.360 -1.153) 7.504 20.899 ( 5.839 2.574 -1.000) 6.459 21.058 ( -0.112 2.811 2.566) 3.808 21.298 ( -0.040 -3.001 0.748) 3.093 21.395 ( -0.529 -0.245 -0.236) 0.629 21.408 ( -2.526 -1.352 0.391) 2.892 21.554 ( -6.349 6.394 -2.347) 9.312 22.169 ( 1.424 0.859 -0.359) 1.701 22.231 ( -0.762 0.305 0.003) 0.821 24.100 ( 8.569 4.332 -1.701) 9.751 24.405 ( -5.615 2.312 0.364) 6.083 24.884 ( 2.778 -0.329 5.195) 5.900 25.090 ( -3.799 -1.977 -3.548) 5.561 26.474 ( 5.238 -1.759 -0.133) 5.528 26.697 ( -4.568 -1.090 0.110) 4.697 ======================= Grid point 239 (107/117) ======================= q-point: (-0.30 0.20 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( 14.399 0.952 -6.584) 15.862 2.138 ( -5.447 0.829 5.245) 7.607 2.161 ( 3.837 1.549 -0.246) 4.145 2.217 ( -1.304 -0.260 -0.684) 1.495 2.426 ( 3.483 3.497 4.192) 6.476 2.516 ( -2.530 2.718 -3.119) 4.849 2.683 ( 7.530 3.674 3.842) 9.217 2.873 ( -8.011 9.381 1.624) 12.443 2.985 ( 1.026 5.273 -3.453) 6.385 2.998 ( 1.523 11.508 -0.831) 11.638 3.211 ( 18.520 13.333 -1.020) 22.843 3.329 ( 0.137 -3.103 3.564) 4.727 3.449 ( -2.111 2.130 -4.387) 5.314 3.626 ( -10.935 9.392 0.540) 14.425 3.734 ( 4.243 2.089 -0.432) 4.749 3.845 ( -10.130 10.055 0.455) 14.280 4.093 ( 5.987 0.518 0.375) 6.021 4.209 ( -3.163 -3.098 -5.216) 6.841 4.313 ( 0.489 5.175 3.970) 6.540 4.407 ( -7.317 6.219 1.763) 9.763 4.899 ( 1.703 -8.914 1.659) 9.226 4.922 ( 1.562 -3.484 0.005) 3.818 4.978 ( -0.355 -1.651 0.850) 1.891 5.049 ( -4.693 5.760 -0.140) 7.431 5.606 ( 12.783 -6.072 7.050) 15.811 5.724 ( 10.611 3.869 -5.757) 12.677 5.853 ( -6.364 2.233 0.851) 6.798 5.885 ( -4.417 -9.699 -2.626) 10.977 6.063 ( -2.756 -4.446 -1.985) 5.595 6.148 ( -8.996 -2.237 -1.283) 9.359 6.276 ( 0.234 7.628 1.203) 7.726 6.382 ( -9.774 6.251 -0.144) 11.603 7.026 ( 3.065 6.710 0.380) 7.386 7.090 ( -2.030 7.148 -3.856) 8.371 7.514 ( 2.844 1.925 3.434) 4.856 7.593 ( -4.328 0.457 -0.742) 4.415 7.913 ( 6.526 -4.023 9.161) 11.945 8.058 ( -1.989 -0.684 -6.615) 6.942 8.482 ( 8.072 -6.745 -7.496) 12.917 8.556 ( -2.638 -7.242 7.667) 10.872 8.652 ( 4.351 4.015 -2.633) 6.479 8.692 ( -0.376 -0.433 1.943) 2.026 9.276 ( 4.541 -5.035 -0.809) 6.828 9.421 ( -8.170 -10.351 -2.397) 13.403 9.668 ( 8.189 2.144 1.206) 8.551 9.929 ( -15.244 1.800 0.596) 15.361 10.562 ( 14.886 0.251 -2.677) 15.127 10.837 ( -13.620 0.779 4.135) 14.255 11.466 ( 0.846 4.251 2.661) 5.086 11.521 ( -1.624 3.964 -4.777) 6.416 11.988 ( 1.853 1.858 4.017) 4.798 12.018 ( 1.662 -0.769 -3.009) 3.523 12.315 ( 5.739 -0.595 10.747) 12.198 12.479 ( -3.243 -6.063 -11.458) 13.363 12.921 ( 9.896 3.060 -1.007) 10.407 13.109 ( -8.850 2.109 2.000) 9.315 15.844 ( 4.478 -2.316 1.289) 5.203 15.941 ( -4.152 -2.789 -1.338) 5.178 20.903 ( 6.334 3.471 -1.990) 7.492 21.005 ( -4.092 2.221 3.775) 5.995 21.338 ( 0.700 1.154 -1.194) 1.802 21.384 ( -4.264 -2.133 -0.479) 4.792 21.402 ( 0.204 0.658 1.715) 1.849 21.444 ( -2.000 -1.016 -1.601) 2.756 22.172 ( 2.068 0.262 -0.487) 2.140 22.213 ( -1.801 0.023 0.114) 1.805 24.140 ( 9.333 0.962 -1.083) 9.445 24.314 ( -7.657 0.360 -0.259) 7.670 24.958 ( 4.120 -2.050 7.302) 8.631 25.078 ( -3.940 -2.353 -5.560) 7.209 26.524 ( 5.184 2.105 0.809) 5.653 26.640 ( -5.536 1.758 -1.062) 5.904 ======================= Grid point 240 (108/117) ======================= q-point: (-0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 107 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( 10.219 4.496 -8.736) 14.176 2.040 ( -10.219 4.496 8.736) 14.176 2.174 ( -0.495 2.591 -2.346) 3.530 2.174 ( 0.495 2.591 2.346) 3.530 2.348 ( 0.602 10.657 -3.959) 11.385 2.348 ( -0.602 10.657 3.959) 11.385 2.631 ( 3.335 10.452 -3.350) 11.471 2.631 ( -3.335 10.452 3.350) 11.471 2.819 ( 1.594 6.817 -1.726) 7.210 2.819 ( -1.594 6.817 1.726) 7.210 3.230 ( -1.879 4.435 -3.025) 5.688 3.230 ( 1.879 4.435 3.025) 5.688 3.443 ( -3.646 -1.788 -6.696) 7.831 3.443 ( 3.646 -1.788 6.696) 7.831 3.744 ( -1.507 -0.199 -1.931) 2.458 3.744 ( 1.507 -0.199 1.931) 2.458 4.109 ( 0.557 7.862 -2.802) 8.365 4.109 ( -0.557 7.862 2.802) 8.365 4.274 ( -2.399 2.609 -10.385) 10.973 4.274 ( 2.399 2.609 10.385) 10.973 4.806 ( 5.420 14.400 -3.844) 15.860 4.806 ( -5.420 14.400 3.844) 15.860 5.059 ( 3.379 -4.218 -2.248) 5.853 5.059 ( -3.379 -4.218 2.248) 5.853 5.658 ( 1.871 2.059 -3.356) 4.359 5.658 ( -1.871 2.059 3.356) 4.359 5.988 ( -3.130 -5.121 -5.078) 7.862 5.988 ( 3.130 -5.121 5.078) 7.862 6.095 ( -2.927 1.698 -0.489) 3.420 6.095 ( 2.927 1.698 0.489) 3.420 6.290 ( -6.322 -9.286 -9.280) 14.571 6.290 ( 6.322 -9.286 9.280) 14.571 7.000 ( -1.668 -0.092 -5.242) 5.502 7.000 ( 1.668 -0.092 5.242) 5.502 7.566 ( -3.734 -1.975 -1.012) 4.344 7.566 ( 3.734 -1.975 1.012) 4.344 8.009 ( -1.366 1.092 -8.090) 8.277 8.009 ( 1.366 1.092 8.090) 8.277 8.594 ( 7.194 -0.403 -5.937) 9.337 8.594 ( -7.194 -0.403 5.937) 9.337 8.726 ( 3.149 -6.495 -11.281) 13.393 8.726 ( -3.149 -6.495 11.281) 13.393 9.433 ( -6.349 -2.895 -4.558) 8.335 9.433 ( 6.349 -2.895 4.558) 8.335 9.765 ( -13.723 0.228 1.029) 13.763 9.765 ( 13.723 0.228 -1.029) 13.763 10.650 ( -3.826 5.806 -4.856) 8.482 10.650 ( 3.826 5.806 4.856) 8.482 11.395 ( -0.763 5.676 -6.207) 8.445 11.395 ( 0.763 5.676 6.207) 8.445 11.988 ( 3.525 2.115 -10.150) 10.951 11.988 ( -3.525 2.115 10.150) 10.951 12.507 ( -9.240 -7.819 -13.384) 18.046 12.507 ( 9.240 -7.819 13.384) 18.046 13.007 ( -8.874 -1.443 -0.269) 8.995 13.007 ( 8.874 -1.443 0.269) 8.995 15.910 ( -3.462 0.869 -2.540) 4.381 15.910 ( 3.462 0.869 2.540) 4.381 20.894 ( -0.612 4.305 -3.916) 5.852 20.894 ( 0.612 4.305 3.916) 5.852 21.347 ( -3.897 -0.780 -1.965) 4.434 21.347 ( 3.897 -0.780 1.965) 4.434 21.456 ( -2.289 -2.261 -1.235) 3.446 21.456 ( 2.289 -2.261 1.235) 3.446 22.205 ( -2.290 -1.665 0.067) 2.832 22.205 ( 2.290 -1.665 -0.067) 2.832 24.237 ( -3.129 -1.173 -5.151) 6.139 24.237 ( 3.129 -1.173 5.151) 6.139 25.068 ( -4.321 -3.129 -6.373) 8.311 25.068 ( 4.321 -3.129 6.373) 8.311 26.508 ( -3.610 6.368 -4.704) 8.701 26.508 ( 3.610 6.368 4.704) 8.701 ======================= Grid point 246 (109/117) ======================= q-point: ( 0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 6.236 0.000 -8.237) 10.331 1.523 ( 19.303 0.000 -11.799) 22.623 1.996 ( 7.523 0.000 0.737) 7.559 2.051 ( 9.397 0.000 8.980) 12.998 2.165 ( 10.122 0.000 -8.263) 13.067 2.433 ( 4.892 0.000 2.567) 5.524 2.752 ( 9.763 0.000 2.453) 10.066 2.822 ( -5.415 -0.000 -1.109) 5.528 3.058 ( -2.162 -0.000 6.313) 6.673 3.125 ( -6.474 -0.000 6.369) 9.082 3.363 ( 9.044 0.000 5.268) 10.467 3.370 ( 15.663 0.000 -1.010) 15.696 3.502 ( 7.891 0.000 -9.413) 12.283 3.656 ( -0.649 -0.000 8.325) 8.351 3.818 ( 20.765 0.000 6.574) 21.780 3.893 ( 14.394 0.000 -9.327) 17.151 3.980 ( 5.297 0.000 -1.266) 5.446 3.986 ( 5.500 0.000 -3.238) 6.382 4.213 ( 13.186 0.000 8.788) 15.846 4.315 ( -1.668 -0.000 -6.101) 6.325 4.542 ( 1.235 0.000 6.490) 6.606 4.807 ( -3.197 -0.000 -4.557) 5.567 5.053 ( 7.653 0.000 -0.396) 7.663 5.399 ( -1.179 -0.000 18.758) 18.795 5.434 ( 3.130 0.000 -9.317) 9.829 5.504 ( 9.847 0.000 -13.042) 16.342 5.935 ( 3.236 0.000 -2.573) 4.134 6.188 ( 5.090 0.000 -2.334) 5.600 6.435 ( -12.143 -0.000 6.834) 13.934 6.471 ( 5.466 0.000 -4.708) 7.214 6.663 ( -2.868 -0.000 0.224) 2.877 6.705 ( -16.336 -0.000 -7.649) 18.038 7.044 ( -10.571 -0.000 3.239) 11.056 7.261 ( -1.733 -0.000 3.138) 3.585 7.353 ( -11.696 -0.000 -0.247) 11.699 7.632 ( -3.283 -0.000 -1.130) 3.472 8.035 ( 1.864 0.000 5.885) 6.173 8.071 ( 0.245 0.000 14.490) 14.492 8.486 ( -7.230 -0.000 6.189) 9.517 8.494 ( -5.649 -0.000 -8.890) 10.533 8.647 ( -1.780 -0.000 0.492) 1.847 8.662 ( -4.321 -0.000 -8.935) 9.925 9.244 ( -6.457 -0.000 -6.746) 9.338 9.438 ( 0.458 0.000 -6.472) 6.489 9.761 ( 0.166 0.000 8.222) 8.224 9.889 ( 0.938 0.000 -0.224) 0.965 10.232 ( 7.767 0.000 12.309) 14.555 10.276 ( 17.926 0.000 -5.930) 18.882 11.181 ( 8.070 0.000 -2.981) 8.603 11.736 ( 4.265 0.000 2.864) 5.137 12.190 ( 5.239 0.000 6.807) 8.590 12.255 ( -13.700 -0.000 1.610) 13.794 12.408 ( 5.434 0.000 2.438) 5.956 12.539 ( 2.667 0.000 -15.336) 15.566 13.037 ( -7.326 -0.000 -10.475) 12.783 13.563 ( -9.328 -0.000 9.512) 13.323 15.307 ( 0.587 0.000 2.173) 2.250 15.362 ( 1.268 0.000 -2.068) 2.426 20.995 ( 9.964 0.000 -5.578) 11.419 21.127 ( -1.660 -0.000 8.229) 8.394 21.315 ( 0.504 0.000 0.347) 0.612 21.374 ( -2.948 -0.000 0.482) 2.987 21.649 ( 4.303 0.000 -0.523) 4.334 21.809 ( 2.070 0.000 -0.888) 2.253 22.099 ( -7.298 -0.000 -0.230) 7.301 22.153 ( -6.992 -0.000 -0.529) 7.012 24.574 ( -4.214 -0.000 0.518) 4.246 24.860 ( -7.412 -0.000 -5.052) 8.970 24.939 ( 5.476 0.000 2.021) 5.837 25.181 ( 0.378 0.000 0.704) 0.799 26.057 ( 10.633 0.000 -3.392) 11.161 26.213 ( 7.276 0.000 6.699) 9.890 ======================= Grid point 247 (110/117) ======================= q-point: ( 0.40 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( 7.167 -8.705 0.905) 11.312 1.694 ( 7.667 -3.223 -15.247) 17.368 2.209 ( 8.983 -8.740 0.098) 12.533 2.219 ( 6.241 -6.000 9.822) 13.093 2.278 ( 18.048 -4.808 -7.514) 20.133 2.493 ( 2.733 -1.325 2.463) 3.911 2.726 ( -5.845 3.268 -0.720) 6.735 2.932 ( 9.379 -6.319 2.613) 11.607 3.000 ( -6.323 4.174 9.437) 12.102 3.151 ( -1.026 -9.018 -4.151) 9.980 3.349 ( 7.415 13.405 7.052) 16.864 3.396 ( 7.430 8.823 -3.289) 11.994 3.536 ( 7.474 -2.103 1.201) 7.857 3.582 ( -0.007 1.771 2.073) 2.726 3.877 ( -0.117 0.357 -4.573) 4.589 3.952 ( 2.269 -1.403 1.989) 3.328 4.152 ( -0.132 -3.541 -1.142) 3.723 4.253 ( 16.227 5.292 -4.105) 17.555 4.256 ( 6.186 -12.233 8.862) 16.323 4.530 ( 0.552 -1.164 2.880) 3.155 4.584 ( 18.458 -6.449 0.814) 19.569 4.781 ( 2.891 -2.991 -5.813) 7.148 4.988 ( 6.543 14.674 2.503) 16.261 5.288 ( 9.170 7.345 -15.602) 19.531 5.519 ( -2.115 -3.668 12.070) 12.791 5.618 ( 4.126 -2.721 -6.037) 7.802 5.802 ( -5.344 11.777 -0.739) 12.954 6.240 ( -15.426 4.331 2.949) 16.292 6.291 ( -8.013 4.681 -5.161) 10.619 6.517 ( -11.388 -11.011 -1.696) 15.931 6.564 ( 13.376 -2.985 -0.331) 13.709 6.758 ( 5.167 -3.141 0.694) 6.086 6.922 ( -9.737 2.149 0.632) 9.992 7.207 ( -4.084 1.252 -1.666) 4.585 7.363 ( -2.576 -10.333 5.766) 12.110 7.657 ( -3.125 -4.605 -3.108) 6.374 7.950 ( 0.412 9.609 3.517) 10.241 8.158 ( 3.460 -0.705 11.394) 11.928 8.328 ( -10.844 6.057 1.814) 12.552 8.414 ( -3.765 2.512 7.850) 9.061 8.568 ( -1.582 0.638 -12.460) 12.576 8.701 ( -3.242 -4.121 -5.600) 7.672 9.133 ( -2.749 3.369 -3.518) 5.593 9.411 ( -3.788 1.447 -4.989) 6.429 9.709 ( 0.817 8.278 6.807) 10.749 9.876 ( 1.264 -4.037 1.019) 4.351 10.429 ( 9.687 -2.952 -1.576) 10.249 10.503 ( 7.059 -9.514 2.498) 12.107 11.293 ( 11.481 -2.108 0.274) 11.677 11.715 ( 2.135 5.109 5.006) 7.465 12.103 ( -8.002 2.529 -5.410) 9.985 12.172 ( -7.427 2.231 2.785) 8.239 12.446 ( 5.835 1.892 3.287) 6.959 12.629 ( 12.111 -0.300 -11.104) 16.434 12.931 ( -5.882 -0.472 -4.307) 7.306 13.444 ( -9.013 4.295 7.032) 12.212 15.369 ( 0.272 -5.410 2.672) 6.040 15.443 ( -0.199 -7.637 -2.476) 8.031 21.022 ( 6.866 4.098 -1.859) 8.209 21.163 ( 0.284 -2.052 2.458) 3.215 21.278 ( 0.187 3.545 1.361) 3.801 21.372 ( -2.600 -1.577 0.324) 3.058 21.547 ( 4.657 8.773 -0.644) 9.954 21.966 ( -7.836 4.750 -0.110) 9.164 21.994 ( 0.388 -10.709 -0.175) 10.717 22.133 ( -3.731 -3.163 -0.623) 4.931 24.504 ( -0.651 4.824 -1.111) 4.993 24.697 ( -5.320 8.425 1.577) 10.088 24.927 ( 4.935 3.469 -2.406) 6.495 25.155 ( -2.600 2.779 0.501) 3.839 26.176 ( 8.893 -3.514 -1.698) 9.711 26.407 ( 1.976 -10.240 3.548) 11.016 ======================= Grid point 248 (111/117) ======================= q-point: ( 0.50 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( 2.823 -14.718 1.262) 15.039 1.752 ( 4.697 -2.768 -13.824) 14.860 2.291 ( 10.162 3.153 -7.361) 12.937 2.394 ( 4.857 -5.416 7.419) 10.390 2.488 ( 1.270 2.701 4.953) 5.783 2.604 ( -3.524 3.229 1.248) 4.940 2.758 ( 10.639 -16.796 1.538) 19.941 2.872 ( -2.961 6.064 12.750) 14.426 3.061 ( 4.897 1.708 5.315) 7.426 3.193 ( -0.352 3.303 -3.448) 4.787 3.325 ( 4.499 0.149 -3.545) 5.730 3.345 ( 5.000 0.717 -4.780) 6.954 3.575 ( 5.516 1.890 -0.943) 5.907 3.721 ( 12.413 -6.049 2.293) 13.998 3.940 ( 3.054 -6.268 -1.950) 7.240 4.016 ( -0.547 -2.435 3.290) 4.129 4.119 ( -4.105 -3.003 -1.150) 5.215 4.288 ( 2.574 2.656 -5.200) 6.381 4.405 ( -7.092 6.503 0.262) 9.626 4.430 ( -2.004 -1.060 3.187) 3.911 4.760 ( 6.836 4.339 6.170) 10.180 4.811 ( 0.489 -0.409 -2.497) 2.577 5.105 ( 27.227 -6.178 -2.095) 27.998 5.245 ( 8.628 4.507 -12.059) 15.498 5.435 ( -5.429 13.237 4.322) 14.946 5.588 ( -4.210 2.875 3.609) 6.246 5.659 ( 1.878 0.052 -2.871) 3.431 6.003 ( -4.083 8.110 -3.749) 9.823 6.069 ( -18.646 1.325 5.087) 19.373 6.472 ( -19.501 -2.603 0.417) 19.678 6.559 ( 1.149 11.517 3.032) 11.965 6.814 ( -5.853 4.704 -6.561) 9.971 7.064 ( 15.528 -16.889 0.302) 22.945 7.356 ( 7.221 -13.793 -0.786) 15.589 7.562 ( 2.427 -5.965 6.840) 9.395 7.641 ( 0.723 3.234 -1.483) 3.631 7.822 ( -0.778 2.725 -0.910) 2.976 8.059 ( -10.147 9.078 -2.892) 13.919 8.245 ( 1.403 -0.332 13.863) 13.937 8.381 ( -0.468 1.023 5.257) 5.376 8.527 ( -2.105 -1.013 -7.121) 7.494 8.673 ( -4.674 -0.609 -10.510) 11.519 9.088 ( 0.946 0.341 1.520) 1.823 9.294 ( -3.830 4.438 -4.088) 7.147 9.658 ( 4.854 2.161 5.515) 7.658 9.981 ( -4.458 -7.897 -1.929) 9.271 10.493 ( 5.587 3.402 -0.232) 6.546 10.678 ( -0.710 -5.683 2.280) 6.164 11.454 ( 11.195 -0.927 3.404) 11.738 11.689 ( 0.475 0.629 6.126) 6.177 11.958 ( -5.349 3.542 -4.551) 7.866 12.070 ( -5.916 0.345 -6.364) 8.696 12.458 ( 4.255 3.378 3.467) 6.445 12.603 ( 5.452 8.571 -6.491) 12.054 12.979 ( 3.128 -4.355 -0.686) 5.405 13.303 ( -7.093 3.554 3.993) 8.881 15.502 ( 0.516 -7.687 2.716) 8.169 15.586 ( -1.921 -9.682 -2.545) 10.193 21.009 ( 5.679 3.700 -0.084) 6.778 21.201 ( 3.986 3.080 -0.095) 5.038 21.209 ( -3.551 -0.096 1.082) 3.714 21.365 ( -3.336 -0.772 0.374) 3.444 21.477 ( 5.154 4.708 0.111) 6.981 21.777 ( -9.044 5.811 -1.084) 10.805 22.142 ( -0.055 -4.332 1.652) 4.637 22.172 ( -0.596 -3.970 -1.817) 4.406 24.383 ( 4.981 9.587 -3.105) 11.241 24.536 ( -4.797 4.874 4.228) 8.040 24.914 ( 3.399 1.969 -2.246) 4.525 25.070 ( -4.017 2.168 0.630) 4.608 26.336 ( 7.588 -4.972 -0.940) 9.120 26.562 ( -3.230 -6.783 1.607) 7.683 ======================= Grid point 249 (112/117) ======================= q-point: ( 0.60 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( 6.167 -5.600 -7.175) 10.994 1.933 ( -4.316 -11.345 -0.160) 12.139 2.297 ( 7.689 5.168 -3.287) 9.830 2.382 ( -2.064 6.816 1.557) 7.290 2.500 ( 4.199 1.068 0.866) 4.418 2.564 ( -3.852 -0.088 7.423) 8.363 2.883 ( 9.097 1.741 9.883) 13.544 2.956 ( 5.565 0.001 -4.539) 7.181 3.101 ( -1.071 -4.039 7.635) 8.704 3.168 ( -3.024 1.029 -5.355) 6.235 3.295 ( 1.553 4.243 -0.460) 4.542 3.315 ( -0.102 3.370 -1.431) 3.663 3.642 ( 8.365 -1.871 -5.625) 10.252 3.814 ( -3.101 5.682 -0.469) 6.490 3.977 ( 9.244 5.113 1.841) 10.723 4.090 ( 3.266 4.582 -0.435) 5.643 4.099 ( -2.615 -0.072 -2.283) 3.472 4.272 ( -7.575 6.876 0.242) 10.233 4.378 ( 2.278 -12.223 -3.832) 13.011 4.424 ( -3.963 -15.853 4.837) 17.042 4.793 ( 8.756 0.370 -0.671) 8.790 4.866 ( 0.105 -0.034 2.436) 2.438 5.042 ( -0.327 18.613 -1.372) 18.667 5.151 ( -7.176 11.443 1.187) 13.559 5.430 ( 11.920 -3.206 3.795) 12.914 5.587 ( 10.253 0.315 -11.049) 15.076 5.642 ( -3.055 -5.920 -0.548) 6.684 5.917 ( -18.179 -5.278 6.153) 19.905 5.948 ( 6.773 2.699 3.386) 8.039 6.215 ( -17.001 4.308 -1.713) 17.622 6.483 ( 2.291 4.472 2.456) 5.593 6.621 ( -7.466 6.444 -6.790) 11.974 7.424 ( 12.492 -2.140 -0.390) 12.680 7.471 ( 8.837 12.837 1.990) 15.711 7.587 ( -1.905 -3.313 2.190) 4.405 7.684 ( -6.787 5.048 0.034) 8.459 7.777 ( 1.107 -1.221 7.374) 7.556 7.888 ( -3.021 -5.920 -9.148) 11.308 8.308 ( 2.740 -1.279 6.677) 7.330 8.385 ( -2.341 -1.200 -1.435) 2.997 8.552 ( 3.687 -4.770 0.710) 6.071 8.661 ( -3.425 -5.696 -6.983) 9.640 9.132 ( 0.330 -3.219 3.597) 4.839 9.189 ( -2.221 1.836 -3.985) 4.918 9.726 ( 9.735 0.870 3.304) 10.318 9.987 ( -13.070 -1.803 -2.731) 13.473 10.510 ( 10.827 0.937 -0.724) 10.892 10.717 ( -10.140 -4.257 4.074) 11.728 11.545 ( 7.653 1.662 1.616) 7.996 11.661 ( -3.464 2.947 -1.032) 4.664 11.923 ( 0.436 -2.190 7.558) 7.880 12.016 ( -2.564 -1.457 -10.684) 11.083 12.432 ( 2.121 4.620 6.192) 8.012 12.479 ( 2.113 6.362 -6.648) 9.441 13.056 ( 6.595 1.383 -0.612) 6.766 13.196 ( -6.730 2.095 1.960) 7.316 15.659 ( 2.140 -7.499 1.966) 8.042 15.723 ( -3.069 -8.702 -1.933) 9.427 21.007 ( 6.010 2.993 -0.387) 6.725 21.110 ( -3.584 3.612 1.080) 5.202 21.257 ( 3.009 -1.886 0.372) 3.571 21.341 ( -4.270 -1.084 -0.138) 4.408 21.460 ( 4.682 3.360 0.745) 5.811 21.586 ( -7.339 5.480 -1.648) 9.307 22.188 ( 1.206 -0.688 0.394) 1.443 22.215 ( -1.092 -1.338 -0.513) 1.802 24.284 ( 7.461 7.110 -2.062) 10.511 24.410 ( -6.082 4.565 1.911) 7.841 24.924 ( 3.321 0.325 2.602) 4.231 25.015 ( -4.122 -0.608 -2.408) 4.812 26.484 ( 6.682 -3.558 -0.556) 7.590 26.607 ( -5.595 -3.359 0.666) 6.560 ======================= Grid point 250 (113/117) ======================= q-point: (-0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( -0.919 -5.678 -3.468) 6.716 2.025 ( 0.919 -5.678 3.468) 6.716 2.235 ( 2.388 5.386 -5.003) 7.729 2.235 ( -2.388 5.386 5.003) 7.729 2.531 ( 3.314 1.382 -4.601) 5.836 2.531 ( -3.314 1.382 4.601) 5.836 2.882 ( -9.447 6.872 -3.545) 12.208 2.882 ( 9.447 6.872 3.545) 12.208 3.137 ( -6.950 3.497 -2.340) 8.124 3.137 ( 6.950 3.497 2.340) 8.124 3.269 ( -1.843 -2.588 -3.662) 4.848 3.269 ( 1.843 -2.588 3.662) 4.848 3.705 ( -2.154 4.567 -2.154) 5.490 3.705 ( 2.154 4.567 2.154) 5.490 3.882 ( -2.498 9.999 -4.752) 11.348 3.882 ( 2.498 9.999 4.752) 11.348 4.140 ( -1.681 0.668 -4.421) 4.776 4.140 ( 1.681 0.668 4.421) 4.776 4.516 ( -4.433 7.657 -4.351) 9.860 4.516 ( 4.433 7.657 4.351) 9.860 4.843 ( -3.673 -0.884 0.276) 3.788 4.843 ( 3.673 -0.884 -0.276) 3.788 4.934 ( -8.522 -4.689 -0.487) 9.739 4.934 ( 8.522 -4.689 0.487) 9.739 5.617 ( -8.510 -7.407 -0.745) 11.307 5.617 ( 8.510 -7.407 0.745) 11.307 5.846 ( 6.009 -2.131 -6.670) 9.227 5.846 ( -6.009 -2.131 6.670) 9.227 6.024 ( -6.657 0.190 -6.608) 9.381 6.024 ( 6.657 0.190 6.608) 9.381 6.425 ( -5.106 6.437 -0.520) 8.233 6.425 ( 5.106 6.437 0.520) 8.233 7.270 ( -0.712 14.993 -4.459) 15.658 7.270 ( 0.712 14.993 4.459) 15.658 7.582 ( -0.441 2.026 -2.582) 3.312 7.582 ( 0.441 2.026 2.582) 3.312 7.932 ( -5.007 -4.899 -10.150) 12.333 7.932 ( 5.007 -4.899 10.150) 12.333 8.406 ( 2.823 -5.610 -11.532) 13.132 8.406 ( -2.823 -5.610 11.532) 13.132 8.701 ( -1.655 -2.233 -5.580) 6.234 8.701 ( 1.655 -2.233 5.580) 6.234 9.208 ( 2.678 -5.630 -3.844) 7.324 9.208 ( -2.678 -5.630 3.844) 7.324 9.820 ( -10.843 2.323 -3.390) 11.596 9.820 ( 10.843 2.323 3.390) 11.596 10.669 ( -3.093 -3.377 -4.037) 6.105 10.669 ( 3.093 -3.377 4.037) 6.105 11.560 ( -1.967 3.281 -3.053) 4.894 11.560 ( 1.967 3.281 3.053) 4.894 12.003 ( 0.173 -1.616 -12.292) 12.399 12.003 ( -0.173 -1.616 12.292) 12.399 12.391 ( -0.995 2.156 -10.077) 10.353 12.391 ( 0.995 2.156 10.077) 10.353 13.078 ( -4.975 3.506 0.075) 6.086 13.078 ( 4.975 3.506 -0.075) 6.086 15.816 ( -1.109 -5.861 -4.562) 7.509 15.816 ( 1.109 -5.861 4.562) 7.509 21.012 ( 1.217 2.793 -2.521) 3.954 21.012 ( -1.217 2.793 2.521) 3.954 21.328 ( -2.765 -2.077 -1.640) 3.828 21.328 ( 2.765 -2.077 1.640) 3.828 21.444 ( -1.077 3.244 -4.329) 5.516 21.444 ( 1.077 3.244 4.329) 5.516 22.202 ( -0.802 0.595 -0.667) 1.201 22.202 ( 0.802 0.595 0.667) 1.201 24.267 ( -0.695 3.403 -6.018) 6.948 24.267 ( 0.695 3.403 6.018) 6.948 24.984 ( -3.325 -1.563 -6.389) 7.371 24.984 ( 3.325 -1.563 6.389) 7.371 26.589 ( -5.896 -1.042 -0.053) 5.987 26.589 ( 5.896 -1.042 0.053) 5.987 ======================= Grid point 258 (114/117) ======================= q-point: ( 0.40 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( 5.995 0.000 14.383) 15.582 1.684 ( 5.245 0.000 -19.255) 19.957 2.206 ( 11.888 0.000 5.601) 13.141 2.248 ( 6.024 0.000 4.694) 7.637 2.403 ( 17.233 0.000 -13.815) 22.087 2.511 ( 2.742 0.000 2.860) 3.962 2.680 ( -6.164 -0.000 -3.051) 6.878 2.911 ( 2.658 0.000 -5.894) 6.466 3.002 ( -8.106 -0.000 15.614) 17.593 3.042 ( 0.950 0.000 -5.487) 5.568 3.503 ( 0.577 0.000 -5.600) 5.630 3.526 ( 1.126 0.000 6.938) 7.029 3.578 ( 2.317 0.000 1.296) 2.655 3.621 ( -6.265 -0.000 6.317) 8.897 3.958 ( 7.440 0.000 5.133) 9.038 3.983 ( 2.577 0.000 3.003) 3.957 4.039 ( -0.205 -0.000 1.293) 1.309 4.189 ( 6.053 0.000 4.794) 7.722 4.471 ( -0.848 -0.000 -4.443) 4.523 4.606 ( 0.285 0.000 -3.292) 3.305 4.640 ( 21.632 0.000 3.835) 21.970 4.827 ( 23.496 0.000 -14.684) 27.707 5.232 ( 4.920 0.000 0.506) 4.946 5.421 ( 5.525 0.000 -16.901) 17.781 5.433 ( -5.112 -0.000 18.277) 18.979 5.590 ( 0.958 0.000 -3.925) 4.041 5.995 ( 1.504 0.000 3.439) 3.754 6.134 ( -11.821 -0.000 1.796) 11.957 6.196 ( -2.567 -0.000 -1.700) 3.079 6.286 ( -14.121 -0.000 -6.838) 15.689 6.606 ( 1.634 0.000 0.165) 1.643 6.693 ( -0.166 -0.000 -0.879) 0.894 6.946 ( 0.583 0.000 2.810) 2.870 7.168 ( -6.171 -0.000 -1.201) 6.287 7.263 ( 1.371 0.000 5.143) 5.323 7.530 ( -5.282 -0.000 -3.416) 6.290 8.092 ( 0.845 0.000 -0.476) 0.970 8.181 ( 1.683 0.000 6.914) 7.116 8.311 ( -7.858 -0.000 7.742) 11.031 8.403 ( -5.792 -0.000 17.091) 18.045 8.556 ( 0.322 0.000 -17.496) 17.499 8.581 ( -3.032 -0.000 -8.035) 8.588 9.152 ( -0.632 -0.000 2.280) 2.366 9.355 ( -3.779 -0.000 -8.147) 8.981 9.806 ( -0.407 -0.000 8.540) 8.549 9.877 ( -0.818 -0.000 -2.919) 3.032 10.443 ( 7.866 0.000 6.032) 9.912 10.540 ( 9.061 0.000 -4.397) 10.072 11.411 ( 16.319 0.000 -3.353) 16.660 11.804 ( 1.970 0.000 0.255) 1.986 12.020 ( -10.133 -0.000 2.706) 10.488 12.086 ( -12.704 -0.000 0.628) 12.719 12.540 ( 5.966 0.000 3.261) 6.799 12.747 ( 17.735 0.000 -8.929) 19.856 12.856 ( -5.659 -0.000 -4.200) 7.047 13.384 ( -13.210 -0.000 6.503) 14.723 15.333 ( 0.442 0.000 3.381) 3.410 15.368 ( 0.783 0.000 -3.302) 3.394 21.134 ( -1.063 -0.000 7.231) 7.308 21.136 ( 6.904 0.000 -7.832) 10.440 21.318 ( -2.134 -0.000 0.590) 2.214 21.332 ( -0.033 -0.000 1.672) 1.672 21.738 ( 4.296 0.000 0.334) 4.309 21.841 ( 1.308 0.000 -1.545) 2.024 21.972 ( -5.018 -0.000 1.264) 5.175 22.024 ( -5.196 -0.000 -1.068) 5.305 24.524 ( -0.930 -0.000 1.451) 1.724 24.686 ( -6.929 -0.000 -3.875) 7.939 25.040 ( 3.284 0.000 3.583) 4.860 25.165 ( -1.197 -0.000 -2.382) 2.666 26.230 ( 8.147 0.000 -3.558) 8.890 26.332 ( 1.572 0.000 4.767) 5.020 ======================= Grid point 259 (115/117) ======================= q-point: ( 0.50 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( 3.415 -5.271 15.764) 16.969 1.689 ( 1.923 -2.665 -19.080) 19.361 2.348 ( 3.291 -3.247 4.482) 6.439 2.369 ( 5.528 -4.044 -4.921) 8.434 2.537 ( 2.944 0.412 3.488) 4.583 2.601 ( -3.813 1.636 -1.309) 4.350 2.644 ( 16.105 -10.000 -3.353) 19.251 2.897 ( -9.957 -2.368 8.256) 13.149 3.022 ( 0.921 -2.404 0.729) 2.676 3.073 ( -2.754 -5.028 -7.624) 9.539 3.425 ( 2.238 5.744 -1.284) 6.297 3.469 ( -3.079 4.458 4.917) 7.316 3.621 ( 4.496 -5.473 3.011) 7.696 3.707 ( 0.790 -9.067 -0.024) 9.101 3.950 ( 10.415 6.859 1.973) 12.626 4.007 ( 2.304 1.603 2.596) 3.823 4.046 ( -1.167 0.619 1.752) 2.194 4.305 ( -13.364 7.150 -4.346) 15.767 4.380 ( 6.284 -5.842 2.218) 8.862 4.535 ( -5.077 1.782 -0.687) 5.424 4.805 ( 16.428 4.892 -0.765) 17.158 5.019 ( -0.488 11.763 0.349) 11.779 5.187 ( 20.773 -6.950 -15.103) 26.607 5.437 ( 3.862 1.499 -3.089) 5.168 5.479 ( -4.217 -2.862 12.071) 13.103 5.612 ( -4.982 -3.676 -0.797) 6.242 5.770 ( 5.216 17.119 1.858) 17.992 5.975 ( -10.837 7.292 -1.143) 13.112 6.081 ( -1.810 4.223 -2.413) 5.190 6.265 ( -15.344 -1.510 1.445) 15.486 6.759 ( 0.738 -4.979 1.774) 5.337 6.802 ( 1.669 -2.359 -2.839) 4.051 6.908 ( 8.890 -4.477 0.668) 9.976 7.096 ( -6.895 -7.484 -1.723) 10.321 7.425 ( 5.283 -9.855 6.137) 12.755 7.565 ( -4.604 -8.100 -4.464) 10.331 7.986 ( 2.866 9.622 -0.466) 10.051 8.101 ( -8.578 6.950 -1.668) 11.166 8.315 ( 2.649 0.307 18.261) 18.454 8.444 ( 0.264 0.867 14.614) 14.642 8.459 ( -2.032 0.007 -15.311) 15.446 8.567 ( -3.913 -2.088 -13.567) 14.274 9.157 ( 3.874 1.784 4.659) 6.317 9.287 ( -5.174 1.276 -6.580) 8.467 9.773 ( 2.485 3.970 5.350) 7.110 9.853 ( -2.702 -0.905 -2.505) 3.794 10.561 ( 5.577 -1.861 -0.347) 5.889 10.617 ( 0.977 -2.744 0.720) 3.000 11.578 ( 15.706 -0.286 -0.775) 15.728 11.765 ( -0.799 4.486 4.319) 6.278 11.931 ( -5.642 1.191 -2.216) 6.177 11.962 ( -10.765 -0.796 -2.028) 10.984 12.582 ( 5.772 2.889 4.703) 7.986 12.719 ( -3.600 4.467 -7.636) 9.552 12.974 ( 14.259 -3.695 -1.930) 14.855 13.250 ( -13.448 0.687 4.436) 14.177 15.394 ( 0.427 -5.192 3.784) 6.439 15.422 ( -0.256 -5.969 -3.705) 7.030 21.117 ( 3.197 2.563 1.732) 4.449 21.176 ( -0.832 -0.382 -2.476) 2.640 21.285 ( 1.676 2.328 0.606) 2.932 21.332 ( -2.278 0.103 0.914) 2.457 21.652 ( 6.133 7.909 -0.082) 10.009 21.794 ( -7.932 5.971 -0.321) 9.934 22.028 ( 1.734 -8.209 0.456) 8.403 22.070 ( -2.325 -6.000 -0.587) 6.461 24.509 ( 1.763 2.605 0.369) 3.168 24.582 ( -5.017 3.610 -0.875) 6.242 25.021 ( 4.274 5.088 0.643) 6.676 25.099 ( -3.129 4.210 -0.639) 5.284 26.326 ( 6.713 -3.737 -1.815) 7.895 26.413 ( -2.806 -6.134 2.273) 7.118 ======================= Grid point 260 (116/117) ======================= q-point: ( 0.60 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 107 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( 1.607 -7.255 -11.612) 13.786 1.746 ( -1.607 -7.255 11.612) 13.786 2.416 ( 1.196 0.405 -7.859) 7.960 2.416 ( -1.196 0.405 7.859) 7.960 2.543 ( 0.280 0.868 -4.579) 4.669 2.543 ( -0.280 0.868 4.579) 4.669 2.903 ( 3.291 -4.174 -11.837) 12.976 2.903 ( -3.291 -4.174 11.837) 12.976 3.112 ( -1.386 -4.516 -3.479) 5.867 3.112 ( 1.386 -4.516 3.479) 5.867 3.366 ( 3.227 4.295 -1.861) 5.686 3.366 ( -3.227 4.295 1.861) 5.686 3.822 ( -13.462 2.531 -2.141) 13.864 3.822 ( 13.462 2.531 2.141) 13.864 3.978 ( -9.101 -5.946 -3.833) 11.528 3.978 ( 9.101 -5.946 3.833) 11.528 4.103 ( -4.043 -6.553 -5.498) 9.461 4.103 ( 4.043 -6.553 5.498) 9.461 4.409 ( -1.072 9.591 -0.747) 9.679 4.409 ( 1.072 9.591 0.747) 9.679 4.833 ( 1.307 0.544 -3.397) 3.680 4.833 ( -1.307 0.544 3.397) 3.680 5.341 ( 3.973 9.793 -3.262) 11.060 5.341 ( -3.973 9.793 3.262) 11.060 5.585 ( -10.026 -3.410 2.646) 10.916 5.585 ( 10.026 -3.410 -2.646) 10.916 5.672 ( -9.287 5.872 -4.953) 12.052 5.672 ( 9.287 5.872 4.953) 12.052 6.093 ( -9.994 2.136 -1.517) 10.332 6.093 ( 9.994 2.136 1.517) 10.332 6.665 ( -4.992 8.325 -6.569) 11.720 6.665 ( 4.992 8.325 6.569) 11.720 7.326 ( -8.726 -18.450 -1.670) 20.477 7.326 ( 8.726 -18.450 1.670) 20.477 7.653 ( -0.824 -6.105 -6.997) 9.322 7.653 ( 0.824 -6.105 6.997) 9.322 7.853 ( -0.971 9.725 -8.524) 12.969 7.853 ( 0.971 9.725 8.524) 12.969 8.359 ( 1.028 1.654 -16.763) 16.875 8.359 ( -1.028 1.654 16.763) 16.875 8.527 ( -2.320 -2.182 -10.918) 11.373 8.527 ( 2.320 -2.182 10.918) 11.373 9.177 ( -2.671 2.457 -7.049) 7.928 9.177 ( 2.671 2.457 7.049) 7.928 9.824 ( -7.610 -2.065 -4.661) 9.160 9.824 ( 7.610 -2.065 4.661) 9.160 10.616 ( 0.424 0.549 -4.912) 4.961 10.616 ( -0.424 0.549 4.912) 4.961 11.668 ( -2.959 3.062 -1.255) 4.439 11.668 ( 2.959 3.062 1.255) 4.439 11.915 ( -0.953 -2.093 -9.663) 9.933 11.915 ( 0.953 -2.093 9.663) 9.933 12.570 ( -2.003 5.620 -8.204) 10.144 12.570 ( 2.003 5.620 8.204) 10.144 13.136 ( -7.962 -0.547 0.319) 7.987 13.136 ( 7.962 -0.547 -0.319) 7.987 15.537 ( -0.008 -8.327 -5.519) 9.990 15.537 ( 0.008 -8.327 5.519) 9.990 21.116 ( 0.050 2.566 -6.595) 7.077 21.116 ( -0.050 2.566 6.595) 7.077 21.291 ( -4.234 0.528 0.371) 4.283 21.291 ( 4.234 0.528 -0.371) 4.283 21.605 ( -5.603 5.572 -1.992) 8.149 21.605 ( 5.603 5.572 1.992) 8.149 22.154 ( -0.282 -4.391 -1.685) 4.712 22.154 ( 0.282 -4.391 1.685) 4.712 24.459 ( 3.434 5.739 -3.301) 7.459 24.459 ( -3.434 5.739 3.301) 7.459 24.988 ( -1.620 2.795 -1.286) 3.477 24.988 ( 1.620 2.795 1.286) 3.477 26.472 ( -1.831 -5.052 -1.989) 5.730 26.472 ( 1.831 -5.052 1.989) 5.730 ======================= Grid point 271 (117/117) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.43e-04 3.43e-04 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( -0.612 -0.000 -21.824) 21.832 1.613 ( 0.612 0.000 21.824) 21.832 2.339 ( -0.832 -0.000 -0.595) 1.023 2.339 ( 0.832 0.000 0.595) 1.023 2.579 ( -2.440 -0.000 -3.241) 4.057 2.579 ( 2.440 0.000 3.241) 4.057 2.707 ( -16.580 -0.000 4.263) 17.120 2.707 ( 16.580 0.000 -4.263) 17.120 3.032 ( 2.069 0.000 -12.577) 12.746 3.032 ( -2.069 -0.000 12.577) 12.746 3.505 ( 3.479 0.000 -8.039) 8.760 3.505 ( -3.479 -0.000 8.039) 8.760 3.567 ( 0.479 0.000 -0.595) 0.763 3.567 ( -0.479 -0.000 0.595) 0.763 4.026 ( 0.235 0.000 -1.474) 1.492 4.026 ( -0.235 -0.000 1.474) 1.492 4.252 ( -13.794 -0.000 -4.685) 14.568 4.252 ( 13.794 0.000 4.685) 14.568 4.411 ( -10.758 -0.000 -8.524) 13.726 4.411 ( 10.758 0.000 8.524) 13.726 5.078 ( -14.968 -0.000 -2.157) 15.123 5.078 ( 14.968 0.000 2.157) 15.123 5.278 ( 23.069 0.000 -19.548) 30.237 5.278 ( -23.069 -0.000 19.548) 30.237 5.509 ( 5.893 0.000 -8.368) 10.235 5.509 ( -5.893 -0.000 8.368) 10.235 6.050 ( -7.021 -0.000 0.831) 7.070 6.050 ( 7.021 0.000 -0.831) 7.070 6.126 ( -3.652 -0.000 -1.880) 4.107 6.126 ( 3.652 0.000 1.880) 4.107 6.625 ( -2.751 -0.000 -1.631) 3.198 6.625 ( 2.751 0.000 1.631) 3.198 7.050 ( -5.975 -0.000 -1.057) 6.068 7.050 ( 5.975 0.000 1.057) 6.068 7.385 ( -6.573 -0.000 -5.055) 8.292 7.385 ( 6.573 0.000 5.055) 8.292 8.113 ( -3.036 -0.000 -1.279) 3.294 8.113 ( 3.036 0.000 1.279) 3.294 8.382 ( -2.475 -0.000 -8.557) 8.908 8.382 ( 2.475 0.000 8.557) 8.908 8.495 ( 2.864 0.000 -11.210) 11.570 8.495 ( -2.864 -0.000 11.210) 11.570 9.226 ( -4.046 -0.000 -7.969) 8.937 9.226 ( 4.046 0.000 7.969) 8.937 9.841 ( 0.038 0.000 -6.859) 6.859 9.841 ( -0.038 -0.000 6.859) 6.859 10.580 ( -2.546 -0.000 -2.839) 3.813 10.580 ( 2.546 0.000 2.839) 3.813 11.739 ( -15.300 -0.000 2.788) 15.552 11.739 ( 15.300 0.000 -2.788) 15.552 11.898 ( 2.153 0.000 -2.505) 3.303 11.898 ( -2.153 -0.000 2.505) 3.303 12.683 ( -6.106 -0.000 -5.328) 8.104 12.683 ( 6.106 0.000 5.328) 8.104 13.104 ( -17.335 -0.000 4.284) 17.856 13.104 ( 17.335 0.000 -4.284) 17.856 15.357 ( 0.081 0.000 -3.809) 3.809 15.357 ( -0.081 -0.000 3.809) 3.809 21.162 ( 0.993 0.000 -8.625) 8.682 21.162 ( -0.993 -0.000 8.625) 8.682 21.321 ( -1.437 -0.000 0.246) 1.458 21.321 ( 1.437 0.000 -0.246) 1.458 21.816 ( -3.110 -0.000 -0.557) 3.159 21.816 ( 3.110 0.000 0.557) 3.159 21.946 ( -1.643 -0.000 -1.230) 2.052 21.946 ( 1.643 0.000 1.230) 2.052 24.561 ( -3.437 -0.000 -2.844) 4.461 24.561 ( 3.437 0.000 2.844) 4.461 25.114 ( -2.164 -0.000 -3.756) 4.335 25.114 ( 2.164 0.000 3.756) 4.335 26.332 ( 3.720 0.000 -3.687) 5.238 26.332 ( -3.720 -0.000 3.687) 5.238 =================== 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 3/28800 10.0 190.442 174.758 198.032 0.000 -28.984 -0.000 3/28800 20.0 40.463 36.986 34.416 0.000 -5.000 0.000 3/28800 30.0 18.501 16.277 14.181 0.000 -2.294 0.000 3/28800 40.0 11.562 10.037 8.468 0.000 -1.423 0.000 3/28800 50.0 8.404 7.277 6.006 0.000 -1.021 0.000 3/28800 60.0 6.644 5.759 4.679 0.000 -0.794 0.000 3/28800 70.0 5.532 4.804 3.860 0.000 -0.648 0.000 3/28800 80.0 4.768 4.147 3.309 0.000 -0.547 0.000 3/28800 90.0 4.209 3.665 2.912 0.000 -0.472 0.000 3/28800 100.0 3.781 3.294 2.612 0.000 -0.415 0.000 3/28800 110.0 3.440 2.999 2.377 0.000 -0.370 0.000 3/28800 120.0 3.162 2.757 2.186 0.000 -0.334 0.000 3/28800 130.0 2.929 2.555 2.028 0.000 -0.304 0.000 3/28800 140.0 2.731 2.382 1.893 0.000 -0.280 0.000 3/28800 150.0 2.560 2.233 1.777 0.000 -0.258 0.000 3/28800 160.0 2.410 2.103 1.676 0.000 -0.240 0.000 3/28800 170.0 2.277 1.988 1.586 0.000 -0.225 0.000 3/28800 180.0 2.159 1.886 1.506 0.000 -0.211 0.000 3/28800 190.0 2.054 1.794 1.434 0.000 -0.199 0.000 3/28800 200.0 1.958 1.712 1.369 0.000 -0.188 0.000 3/28800 210.0 1.871 1.637 1.309 0.000 -0.178 0.000 3/28800 220.0 1.792 1.568 1.255 0.000 -0.170 0.000 3/28800 230.0 1.719 1.506 1.205 0.000 -0.162 0.000 3/28800 240.0 1.653 1.448 1.159 0.000 -0.154 0.000 3/28800 250.0 1.591 1.395 1.116 0.000 -0.148 0.000 3/28800 260.0 1.534 1.345 1.077 0.000 -0.142 0.000 3/28800 270.0 1.480 1.300 1.040 0.000 -0.136 0.000 3/28800 280.0 1.431 1.257 1.005 0.000 -0.131 0.000 3/28800 290.0 1.385 1.217 0.973 0.000 -0.126 0.000 3/28800 300.0 1.341 1.180 0.943 0.000 -0.122 0.000 3/28800 310.0 1.301 1.145 0.914 0.000 -0.118 0.000 3/28800 320.0 1.262 1.112 0.888 0.000 -0.114 0.000 3/28800 330.0 1.226 1.080 0.862 0.000 -0.110 0.000 3/28800 340.0 1.192 1.051 0.839 0.000 -0.107 0.000 3/28800 350.0 1.160 1.023 0.816 0.000 -0.104 0.000 3/28800 360.0 1.129 0.997 0.795 0.000 -0.101 0.000 3/28800 370.0 1.101 0.972 0.774 0.000 -0.098 0.000 3/28800 380.0 1.073 0.948 0.755 0.000 -0.095 0.000 3/28800 390.0 1.047 0.925 0.737 0.000 -0.093 0.000 3/28800 400.0 1.022 0.904 0.719 0.000 -0.090 0.000 3/28800 410.0 0.998 0.883 0.703 0.000 -0.088 0.000 3/28800 420.0 0.976 0.863 0.687 0.000 -0.086 0.000 3/28800 430.0 0.954 0.845 0.671 0.000 -0.084 0.000 3/28800 440.0 0.933 0.827 0.657 0.000 -0.082 0.000 3/28800 450.0 0.913 0.809 0.643 0.000 -0.080 0.000 3/28800 460.0 0.894 0.793 0.629 0.000 -0.078 0.000 3/28800 470.0 0.876 0.777 0.617 0.000 -0.076 0.000 3/28800 480.0 0.859 0.762 0.604 0.000 -0.075 0.000 3/28800 490.0 0.842 0.747 0.592 0.000 -0.073 0.000 3/28800 500.0 0.826 0.733 0.581 0.000 -0.072 0.000 3/28800 510.0 0.810 0.719 0.570 0.000 -0.070 0.000 3/28800 520.0 0.795 0.706 0.559 0.000 -0.069 0.000 3/28800 530.0 0.780 0.693 0.549 0.000 -0.067 0.000 3/28800 540.0 0.767 0.681 0.539 0.000 -0.066 0.000 3/28800 550.0 0.753 0.669 0.530 0.000 -0.065 0.000 3/28800 560.0 0.740 0.658 0.521 0.000 -0.064 0.000 3/28800 570.0 0.728 0.647 0.512 0.000 -0.063 0.000 3/28800 580.0 0.715 0.636 0.503 0.000 -0.061 0.000 3/28800 590.0 0.704 0.626 0.495 0.000 -0.060 0.000 3/28800 600.0 0.692 0.616 0.487 0.000 -0.059 0.000 3/28800 610.0 0.681 0.606 0.479 0.000 -0.058 0.000 3/28800 620.0 0.671 0.597 0.472 0.000 -0.057 0.000 3/28800 630.0 0.660 0.588 0.465 0.000 -0.056 0.000 3/28800 640.0 0.650 0.579 0.457 0.000 -0.056 0.000 3/28800 650.0 0.640 0.570 0.451 0.000 -0.055 0.000 3/28800 660.0 0.631 0.562 0.444 0.000 -0.054 0.000 3/28800 670.0 0.622 0.554 0.437 0.000 -0.053 0.000 3/28800 680.0 0.613 0.546 0.431 0.000 -0.052 0.000 3/28800 690.0 0.604 0.539 0.425 0.000 -0.051 0.000 3/28800 700.0 0.596 0.531 0.419 0.000 -0.051 0.000 3/28800 710.0 0.588 0.524 0.413 0.000 -0.050 0.000 3/28800 720.0 0.580 0.517 0.408 0.000 -0.049 0.000 3/28800 730.0 0.572 0.510 0.402 0.000 -0.049 0.000 3/28800 740.0 0.564 0.503 0.397 0.000 -0.048 0.000 3/28800 750.0 0.557 0.497 0.392 0.000 -0.047 0.000 3/28800 760.0 0.550 0.491 0.387 0.000 -0.047 0.000 3/28800 770.0 0.543 0.484 0.382 0.000 -0.046 0.000 3/28800 780.0 0.536 0.478 0.377 0.000 -0.045 0.000 3/28800 790.0 0.529 0.472 0.372 0.000 -0.045 0.000 3/28800 800.0 0.523 0.467 0.368 0.000 -0.044 0.000 3/28800 810.0 0.517 0.461 0.363 0.000 -0.044 0.000 3/28800 820.0 0.510 0.456 0.359 0.000 -0.043 0.000 3/28800 830.0 0.504 0.450 0.355 0.000 -0.043 0.000 3/28800 840.0 0.498 0.445 0.351 0.000 -0.042 0.000 3/28800 850.0 0.493 0.440 0.346 0.000 -0.042 0.000 3/28800 860.0 0.487 0.435 0.343 0.000 -0.041 0.000 3/28800 870.0 0.482 0.430 0.339 0.000 -0.041 0.000 3/28800 880.0 0.476 0.425 0.335 0.000 -0.040 0.000 3/28800 890.0 0.471 0.421 0.331 0.000 -0.040 0.000 3/28800 900.0 0.466 0.416 0.328 0.000 -0.039 0.000 3/28800 910.0 0.461 0.412 0.324 0.000 -0.039 0.000 3/28800 920.0 0.456 0.407 0.321 0.000 -0.038 0.000 3/28800 930.0 0.451 0.403 0.317 0.000 -0.038 0.000 3/28800 940.0 0.446 0.399 0.314 0.000 -0.038 0.000 3/28800 950.0 0.442 0.395 0.311 0.000 -0.037 0.000 3/28800 960.0 0.437 0.391 0.307 0.000 -0.037 0.000 3/28800 970.0 0.433 0.387 0.304 0.000 -0.036 0.000 3/28800 980.0 0.428 0.383 0.301 0.000 -0.036 0.000 3/28800 990.0 0.424 0.379 0.298 0.000 -0.036 0.000 3/28800 1000.0 0.420 0.375 0.295 0.000 -0.035 0.000 3/28800 Thermal conductivity related properties were written into "kappa-m10104.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 02:38:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|