----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:34:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.561158680336717 0.000000000000000 0.000000000000000 b 0.000000000000000 3.789418560000000 0.000000000000000 c -1.857779289772376 0.000000000000000 8.923122247230626 Atomic positions (fractional): *1 O 0.58526264023003 0.25000000000000 0.45695963135813 15.999 2 O 0.41473735976997 0.75000000000000 0.54304036864187 15.999 *3 O 0.69687305744715 0.25000000000000 0.18390568136372 15.999 4 O 0.30312694255285 0.75000000000000 0.81609431863628 15.999 *5 O 0.48470201092718 0.25000000000000 0.74572126656514 15.999 6 O 0.51529798907282 0.75000000000000 0.25427873343486 15.999 *7 O 0.17475859970819 0.25000000000000 0.59108169983048 15.999 8 O 0.82524140029181 0.75000000000000 0.40891830016952 15.999 *9 O 0.05588187148541 0.25000000000000 0.84750745800255 15.999 10 O 0.94411812851459 0.75000000000000 0.15249254199745 15.999 *11 O 0.71831511210776 0.75000000000000 0.68858211012232 15.999 12 O 0.28168488789224 0.25000000000000 0.31141788987768 15.999 *13 O 0.64769881104619 0.75000000000000 0.96393075835914 15.999 14 O 0.35230118895381 0.25000000000000 0.03606924164086 15.999 *15 Na 0.00208514221251 0.25000000000000 0.34064016178056 22.990 16 Na 0.99791485778749 0.75000000000000 0.65935983821944 22.990 *17 Na 0.81871774043303 0.25000000000000 0.91600381460229 22.990 18 Na 0.18128225956697 0.75000000000000 0.08399618539771 22.990 *19 Ti 0.46969413739451 0.25000000000000 0.22024886891096 47.867 20 Ti 0.53030586260549 0.75000000000000 0.77975113108904 47.867 *21 Ti 0.25126854665313 0.25000000000000 0.82246748030427 47.867 22 Ti 0.74873145334687 0.75000000000000 0.17753251969573 47.867 *23 Ti 0.35388799855310 0.25000000000000 0.51505705624730 47.867 24 Ti 0.64611200144690 0.75000000000000 0.48494294375270 47.867 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.561158680336717 0.000000000000000 0.000000000000000 b 0.000000000000000 3.789418560000000 0.000000000000000 c -1.857779289772376 0.000000000000000 8.923122247230626 Atomic positions (fractional): *1 O 0.58526264023003 0.25000000000000 0.45695963135813 15.999 > 1 2 O 0.41473735976997 0.75000000000000 0.54304036864187 15.999 > 2 *3 O 0.69687305744715 0.25000000000000 0.18390568136372 15.999 > 3 4 O 0.30312694255285 0.75000000000000 0.81609431863628 15.999 > 4 *5 O 0.48470201092718 0.25000000000000 0.74572126656514 15.999 > 5 6 O 0.51529798907282 0.75000000000000 0.25427873343486 15.999 > 6 *7 O 0.17475859970819 0.25000000000000 0.59108169983048 15.999 > 7 8 O 0.82524140029181 0.75000000000000 0.40891830016952 15.999 > 8 *9 O 0.05588187148541 0.25000000000000 0.84750745800255 15.999 > 9 10 O 0.94411812851459 0.75000000000000 0.15249254199745 15.999 > 10 *11 O 0.71831511210776 0.75000000000000 0.68858211012232 15.999 > 11 12 O 0.28168488789224 0.25000000000000 0.31141788987768 15.999 > 12 *13 O 0.64769881104619 0.75000000000000 0.96393075835914 15.999 > 13 14 O 0.35230118895381 0.25000000000000 0.03606924164086 15.999 > 14 *15 Na 0.00208514221251 0.25000000000000 0.34064016178056 22.990 > 15 16 Na 0.99791485778749 0.75000000000000 0.65935983821944 22.990 > 16 *17 Na 0.81871774043303 0.25000000000000 0.91600381460229 22.990 > 17 18 Na 0.18128225956697 0.75000000000000 0.08399618539771 22.990 > 18 *19 Ti 0.46969413739451 0.25000000000000 0.22024886891096 47.867 > 19 20 Ti 0.53030586260549 0.75000000000000 0.77975113108904 47.867 > 20 *21 Ti 0.25126854665313 0.25000000000000 0.82246748030427 47.867 > 21 22 Ti 0.74873145334687 0.75000000000000 0.17753251969573 47.867 > 22 *23 Ti 0.35388799855310 0.25000000000000 0.51505705624730 47.867 > 23 24 Ti 0.64611200144690 0.75000000000000 0.48494294375270 47.867 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 17.122317360673435 0.000000000000000 0.000000000000000 b 0.000000000000000 11.368255680000001 0.000000000000000 c -1.857779289772376 0.000000000000000 8.923122247230626 Atomic positions (fractional): *1 O 0.29263132011501 0.08333333333333 0.45695963135813 15.999 > 1 2 O 0.79263132011501 0.08333333333333 0.45695963135813 15.999 > 1 3 O 0.29263132011501 0.41666666666667 0.45695963135813 15.999 > 1 4 O 0.79263132011501 0.41666666666667 0.45695963135813 15.999 > 1 5 O 0.29263132011501 0.75000000000000 0.45695963135813 15.999 > 1 6 O 0.79263132011501 0.75000000000000 0.45695963135813 15.999 > 1 7 O 0.20736867988499 0.25000000000000 0.54304036864187 15.999 > 2 8 O 0.70736867988499 0.25000000000000 0.54304036864187 15.999 > 2 9 O 0.20736867988499 0.58333333333333 0.54304036864187 15.999 > 2 10 O 0.70736867988499 0.58333333333333 0.54304036864187 15.999 > 2 11 O 0.20736867988499 0.91666666666667 0.54304036864187 15.999 > 2 12 O 0.70736867988499 0.91666666666667 0.54304036864187 15.999 > 2 *13 O 0.34843652872357 0.08333333333333 0.18390568136372 15.999 > 3 14 O 0.84843652872357 0.08333333333333 0.18390568136372 15.999 > 3 15 O 0.34843652872357 0.41666666666667 0.18390568136372 15.999 > 3 16 O 0.84843652872357 0.41666666666667 0.18390568136372 15.999 > 3 17 O 0.34843652872357 0.75000000000000 0.18390568136372 15.999 > 3 18 O 0.84843652872357 0.75000000000000 0.18390568136372 15.999 > 3 19 O 0.15156347127643 0.25000000000000 0.81609431863628 15.999 > 4 20 O 0.65156347127643 0.25000000000000 0.81609431863628 15.999 > 4 21 O 0.15156347127643 0.58333333333333 0.81609431863628 15.999 > 4 22 O 0.65156347127643 0.58333333333333 0.81609431863628 15.999 > 4 23 O 0.15156347127643 0.91666666666667 0.81609431863628 15.999 > 4 24 O 0.65156347127643 0.91666666666667 0.81609431863628 15.999 > 4 *25 O 0.24235100546359 0.08333333333333 0.74572126656514 15.999 > 5 26 O 0.74235100546359 0.08333333333333 0.74572126656514 15.999 > 5 27 O 0.24235100546359 0.41666666666667 0.74572126656514 15.999 > 5 28 O 0.74235100546359 0.41666666666667 0.74572126656514 15.999 > 5 29 O 0.24235100546359 0.75000000000000 0.74572126656514 15.999 > 5 30 O 0.74235100546359 0.75000000000000 0.74572126656514 15.999 > 5 31 O 0.25764899453641 0.25000000000000 0.25427873343486 15.999 > 6 32 O 0.75764899453641 0.25000000000000 0.25427873343486 15.999 > 6 33 O 0.25764899453641 0.58333333333333 0.25427873343486 15.999 > 6 34 O 0.75764899453641 0.58333333333333 0.25427873343486 15.999 > 6 35 O 0.25764899453641 0.91666666666667 0.25427873343486 15.999 > 6 36 O 0.75764899453641 0.91666666666667 0.25427873343486 15.999 > 6 *37 O 0.08737929985409 0.08333333333333 0.59108169983048 15.999 > 7 38 O 0.58737929985409 0.08333333333333 0.59108169983048 15.999 > 7 39 O 0.08737929985409 0.41666666666667 0.59108169983048 15.999 > 7 40 O 0.58737929985409 0.41666666666667 0.59108169983048 15.999 > 7 41 O 0.08737929985409 0.75000000000000 0.59108169983048 15.999 > 7 42 O 0.58737929985409 0.75000000000000 0.59108169983048 15.999 > 7 43 O 0.41262070014591 0.25000000000000 0.40891830016952 15.999 > 8 44 O 0.91262070014591 0.25000000000000 0.40891830016952 15.999 > 8 45 O 0.41262070014591 0.58333333333333 0.40891830016952 15.999 > 8 46 O 0.91262070014591 0.58333333333333 0.40891830016952 15.999 > 8 47 O 0.41262070014591 0.91666666666667 0.40891830016952 15.999 > 8 48 O 0.91262070014591 0.91666666666667 0.40891830016952 15.999 > 8 *49 O 0.02794093574270 0.08333333333333 0.84750745800255 15.999 > 9 50 O 0.52794093574270 0.08333333333333 0.84750745800255 15.999 > 9 51 O 0.02794093574270 0.41666666666667 0.84750745800255 15.999 > 9 52 O 0.52794093574270 0.41666666666667 0.84750745800255 15.999 > 9 53 O 0.02794093574270 0.75000000000000 0.84750745800255 15.999 > 9 54 O 0.52794093574270 0.75000000000000 0.84750745800255 15.999 > 9 55 O 0.47205906425730 0.25000000000000 0.15249254199745 15.999 > 10 56 O 0.97205906425730 0.25000000000000 0.15249254199745 15.999 > 10 57 O 0.47205906425730 0.58333333333333 0.15249254199745 15.999 > 10 58 O 0.97205906425730 0.58333333333333 0.15249254199745 15.999 > 10 59 O 0.47205906425730 0.91666666666667 0.15249254199745 15.999 > 10 60 O 0.97205906425730 0.91666666666667 0.15249254199745 15.999 > 10 *61 O 0.35915755605388 0.25000000000000 0.68858211012232 15.999 > 11 62 O 0.85915755605388 0.25000000000000 0.68858211012232 15.999 > 11 63 O 0.35915755605388 0.58333333333333 0.68858211012232 15.999 > 11 64 O 0.85915755605388 0.58333333333333 0.68858211012232 15.999 > 11 65 O 0.35915755605388 0.91666666666667 0.68858211012232 15.999 > 11 66 O 0.85915755605388 0.91666666666667 0.68858211012232 15.999 > 11 67 O 0.14084244394612 0.08333333333333 0.31141788987768 15.999 > 12 68 O 0.64084244394612 0.08333333333333 0.31141788987768 15.999 > 12 69 O 0.14084244394612 0.41666666666667 0.31141788987768 15.999 > 12 70 O 0.64084244394612 0.41666666666667 0.31141788987768 15.999 > 12 71 O 0.14084244394612 0.75000000000000 0.31141788987768 15.999 > 12 72 O 0.64084244394612 0.75000000000000 0.31141788987768 15.999 > 12 *73 O 0.32384940552310 0.25000000000000 0.96393075835914 15.999 > 13 74 O 0.82384940552310 0.25000000000000 0.96393075835914 15.999 > 13 75 O 0.32384940552310 0.58333333333333 0.96393075835914 15.999 > 13 76 O 0.82384940552310 0.58333333333333 0.96393075835914 15.999 > 13 77 O 0.32384940552310 0.91666666666667 0.96393075835914 15.999 > 13 78 O 0.82384940552310 0.91666666666667 0.96393075835914 15.999 > 13 79 O 0.17615059447690 0.08333333333333 0.03606924164086 15.999 > 14 80 O 0.67615059447690 0.08333333333333 0.03606924164086 15.999 > 14 81 O 0.17615059447690 0.41666666666667 0.03606924164086 15.999 > 14 82 O 0.67615059447690 0.41666666666667 0.03606924164086 15.999 > 14 83 O 0.17615059447690 0.75000000000000 0.03606924164086 15.999 > 14 84 O 0.67615059447690 0.75000000000000 0.03606924164086 15.999 > 14 *85 Na 0.00104257110626 0.08333333333333 0.34064016178056 22.990 > 15 86 Na 0.50104257110626 0.08333333333333 0.34064016178056 22.990 > 15 87 Na 0.00104257110626 0.41666666666667 0.34064016178056 22.990 > 15 88 Na 0.50104257110626 0.41666666666667 0.34064016178056 22.990 > 15 89 Na 0.00104257110626 0.75000000000000 0.34064016178056 22.990 > 15 90 Na 0.50104257110626 0.75000000000000 0.34064016178056 22.990 > 15 91 Na 0.49895742889374 0.25000000000000 0.65935983821944 22.990 > 16 92 Na 0.99895742889374 0.25000000000000 0.65935983821944 22.990 > 16 93 Na 0.49895742889374 0.58333333333333 0.65935983821944 22.990 > 16 94 Na 0.99895742889374 0.58333333333333 0.65935983821944 22.990 > 16 95 Na 0.49895742889374 0.91666666666667 0.65935983821944 22.990 > 16 96 Na 0.99895742889374 0.91666666666667 0.65935983821944 22.990 > 16 *97 Na 0.40935887021651 0.08333333333333 0.91600381460229 22.990 > 17 98 Na 0.90935887021651 0.08333333333333 0.91600381460229 22.990 > 17 99 Na 0.40935887021651 0.41666666666667 0.91600381460229 22.990 > 17 100 Na 0.90935887021651 0.41666666666667 0.91600381460229 22.990 > 17 101 Na 0.40935887021651 0.75000000000000 0.91600381460229 22.990 > 17 102 Na 0.90935887021651 0.75000000000000 0.91600381460229 22.990 > 17 103 Na 0.09064112978349 0.25000000000000 0.08399618539771 22.990 > 18 104 Na 0.59064112978349 0.25000000000000 0.08399618539771 22.990 > 18 105 Na 0.09064112978349 0.58333333333333 0.08399618539771 22.990 > 18 106 Na 0.59064112978349 0.58333333333333 0.08399618539771 22.990 > 18 107 Na 0.09064112978349 0.91666666666667 0.08399618539771 22.990 > 18 108 Na 0.59064112978349 0.91666666666667 0.08399618539771 22.990 > 18 *109 Ti 0.23484706869726 0.08333333333333 0.22024886891096 47.867 > 19 110 Ti 0.73484706869726 0.08333333333333 0.22024886891096 47.867 > 19 111 Ti 0.23484706869726 0.41666666666667 0.22024886891096 47.867 > 19 112 Ti 0.73484706869726 0.41666666666667 0.22024886891096 47.867 > 19 113 Ti 0.23484706869726 0.75000000000000 0.22024886891096 47.867 > 19 114 Ti 0.73484706869726 0.75000000000000 0.22024886891096 47.867 > 19 115 Ti 0.26515293130274 0.25000000000000 0.77975113108904 47.867 > 20 116 Ti 0.76515293130274 0.25000000000000 0.77975113108904 47.867 > 20 117 Ti 0.26515293130274 0.58333333333333 0.77975113108904 47.867 > 20 118 Ti 0.76515293130274 0.58333333333333 0.77975113108904 47.867 > 20 119 Ti 0.26515293130274 0.91666666666667 0.77975113108904 47.867 > 20 120 Ti 0.76515293130274 0.91666666666667 0.77975113108904 47.867 > 20 *121 Ti 0.12563427332657 0.08333333333333 0.82246748030427 47.867 > 21 122 Ti 0.62563427332657 0.08333333333333 0.82246748030427 47.867 > 21 123 Ti 0.12563427332657 0.41666666666667 0.82246748030427 47.867 > 21 124 Ti 0.62563427332657 0.41666666666667 0.82246748030427 47.867 > 21 125 Ti 0.12563427332657 0.75000000000000 0.82246748030427 47.867 > 21 126 Ti 0.62563427332657 0.75000000000000 0.82246748030427 47.867 > 21 127 Ti 0.37436572667343 0.25000000000000 0.17753251969573 47.867 > 22 128 Ti 0.87436572667343 0.25000000000000 0.17753251969573 47.867 > 22 129 Ti 0.37436572667343 0.58333333333333 0.17753251969573 47.867 > 22 130 Ti 0.87436572667343 0.58333333333333 0.17753251969573 47.867 > 22 131 Ti 0.37436572667343 0.91666666666667 0.17753251969573 47.867 > 22 132 Ti 0.87436572667343 0.91666666666667 0.17753251969573 47.867 > 22 *133 Ti 0.17694399927655 0.08333333333333 0.51505705624730 47.867 > 23 134 Ti 0.67694399927655 0.08333333333333 0.51505705624730 47.867 > 23 135 Ti 0.17694399927655 0.41666666666667 0.51505705624730 47.867 > 23 136 Ti 0.67694399927655 0.41666666666667 0.51505705624730 47.867 > 23 137 Ti 0.17694399927655 0.75000000000000 0.51505705624730 47.867 > 23 138 Ti 0.67694399927655 0.75000000000000 0.51505705624730 47.867 > 23 139 Ti 0.32305600072345 0.25000000000000 0.48494294375270 47.867 > 24 140 Ti 0.82305600072345 0.25000000000000 0.48494294375270 47.867 > 24 141 Ti 0.32305600072345 0.58333333333333 0.48494294375270 47.867 > 24 142 Ti 0.82305600072345 0.58333333333333 0.48494294375270 47.867 > 24 143 Ti 0.32305600072345 0.91666666666667 0.48494294375270 47.867 > 24 144 Ti 0.82305600072345 0.91666666666667 0.48494294375270 47.867 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8543954 0.0000000 -0.3284097 0.0000000 4.9080462 0.0000000 -0.3284107 0.0000000 5.0003297 -------------------------- Born effective charges -------------------------- 1 O -1.3335348 0.0000000 0.1023646 0.0000000 -4.4745005 0.0000000 0.3064989 0.0000000 -1.9057126 2 O -1.3335348 0.0000000 0.1023646 0.0000000 -4.4745005 0.0000000 0.3064989 0.0000000 -1.9057126 3 O -1.7092723 0.0000000 0.2796775 0.0000000 -4.8174098 0.0000000 0.4558639 0.0000000 -1.3779647 4 O -1.7092723 0.0000000 0.2796775 0.0000000 -4.8174098 0.0000000 0.4558639 0.0000000 -1.3779647 5 O -1.3280576 0.0000000 0.1365499 0.0000000 -4.8365016 0.0000000 0.1391443 0.0000000 -1.9583028 6 O -1.3280576 0.0000000 0.1365499 0.0000000 -4.8365016 0.0000000 0.1391443 0.0000000 -1.9583028 7 O -2.4792129 0.0000000 0.6286465 0.0000000 -1.2118403 0.0000000 1.1501565 0.0000000 -3.0234897 8 O -2.4792129 0.0000000 0.6286465 0.0000000 -1.2118403 0.0000000 1.1501565 0.0000000 -3.0234897 9 O -3.2925479 0.0000000 0.3758435 0.0000000 -1.1141052 0.0000000 -0.0607136 0.0000000 -1.3826412 10 O -3.2925479 0.0000000 0.3758435 0.0000000 -1.1141052 0.0000000 -0.0607136 0.0000000 -1.3826412 11 O -2.0436677 0.0000000 0.6462689 0.0000000 -1.1093109 0.0000000 1.1244926 0.0000000 -3.8840954 12 O -2.0436677 0.0000000 0.6462689 0.0000000 -1.1093109 0.0000000 1.1244926 0.0000000 -3.8840954 13 O -0.9484165 0.0000000 -0.5094700 0.0000000 -1.1932650 0.0000000 -1.4258789 0.0000000 -5.3815907 14 O -0.9484165 0.0000000 -0.5094700 0.0000000 -1.1932650 0.0000000 -1.4258789 0.0000000 -5.3815907 15 Na 1.5828238 0.0000000 0.4420373 0.0000000 1.0284063 0.0000000 0.2006063 0.0000000 1.0073651 16 Na 1.5828238 0.0000000 0.4420373 0.0000000 1.0284063 0.0000000 0.2006063 0.0000000 1.0073651 17 Na 1.3721058 0.0000000 -0.2545741 0.0000000 1.0837743 0.0000000 0.1051598 0.0000000 1.1909236 18 Na 1.3721058 0.0000000 -0.2545741 0.0000000 1.0837743 0.0000000 0.1051598 0.0000000 1.1909236 19 Ti 3.5148336 0.0000000 -0.2417394 0.0000000 5.7904126 0.0000000 -0.9212105 0.0000000 5.6602672 20 Ti 3.5148336 0.0000000 -0.2417394 0.0000000 5.7904126 0.0000000 -0.9212105 0.0000000 5.6602672 21 Ti 3.4997191 0.0000000 -0.5589902 0.0000000 5.6281775 0.0000000 0.3445663 0.0000000 5.7546376 22 Ti 3.4997191 0.0000000 -0.5589902 0.0000000 5.6281775 0.0000000 0.3445663 0.0000000 5.7546376 23 Ti 3.1652274 0.0000000 -1.0466145 0.0000000 5.2261626 0.0000000 -1.4186857 0.0000000 5.3006036 24 Ti 3.1652274 0.0000000 -1.0466145 0.0000000 5.2261626 0.0000000 -1.4186857 0.0000000 5.3006036 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 16056/16056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4176 Number of blocks in projector: 4176 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: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1152 / 1152 (1) 139 eigenvectors found. (1) Complementary block size: 59 (1) Compute compressed projector. (1) Use standard solver. (1) 36 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 624 Use submatrix version of eigh solver. (1) Block: 500 / 624 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 624 / 624 (1) 112 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 624 Use submatrix version of eigh solver. (1) Block: 500 / 624 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 624 / 624 (1) 112 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 624 Use submatrix version of eigh solver. (1) Block: 500 / 624 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 624 / 624 (1) 112 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 250 eigenvectors found. (2) Block: 500 / 576 (2) 250 eigenvectors found. (2) Block: 576 / 576 (2) 76 eigenvectors found. (1) 576 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 250 eigenvectors found. (2) Block: 500 / 576 (2) 250 eigenvectors found. (2) Block: 576 / 576 (2) 76 eigenvectors found. (1) 576 eigenvectors found. Tree of FC basis block matrices: - (4176, 4117), data: False |-- (576, 576), data: False |-- (576, 576), data: False |-- (76, 76), data: True |-- (250, 250), data: True |-- (250, 250), data: True |-- (576, 576), data: False |-- (576, 576), data: False |-- (76, 76), data: True |-- (250, 250), data: True |-- (250, 250), data: True |-- (624, 612), data: False |-- (624, 12), data: (624, 24) @ (24, 12) |-- (124, 112), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (624, 612), data: False |-- (624, 12), data: (624, 24) @ (24, 12) |-- (124, 112), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (624, 612), data: False |-- (624, 12), data: (624, 24) @ (24, 12) |-- (124, 112), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (1152, 1129), data: False |-- (1152, 36), data: (1152, 59) @ (59, 36) |-- (152, 139), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 477), data: False |-- (500, 19), data: (500, 42) @ (42, 19) |-- (250, 231), data: True |-- (250, 227), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 720 - Time: 1.410 Solver_block: 200 / 720 - Time: 1.181 Solver_block: 300 / 720 - Time: 1.197 Solver_block: 400 / 720 - Time: 1.189 Solver_block: 500 / 720 - Time: 1.189 Solver_block: 600 / 720 - Time: 1.186 Solver_block: 700 / 720 - Time: 1.184 Solver_block: 720 / 720 - Time: 0.370 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 9.137 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 16056/16056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4176 Number of blocks in projector: 4176 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: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1152 / 1152 (1) 139 eigenvectors found. (1) Complementary block size: 59 (1) Compute compressed projector. (1) Use standard solver. (1) 36 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 624 Use submatrix version of eigh solver. (1) Block: 500 / 624 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 624 / 624 (1) 112 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 624 Use submatrix version of eigh solver. (1) Block: 500 / 624 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 624 / 624 (1) 112 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 624 Use submatrix version of eigh solver. (1) Block: 500 / 624 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 624 / 624 (1) 112 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 250 eigenvectors found. (2) Block: 500 / 576 (2) 250 eigenvectors found. (2) Block: 576 / 576 (2) 76 eigenvectors found. (1) 576 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 250 eigenvectors found. (2) Block: 500 / 576 (2) 250 eigenvectors found. (2) Block: 576 / 576 (2) 76 eigenvectors found. (1) 576 eigenvectors found. Tree of FC basis block matrices: - (4176, 4117), data: False |-- (576, 576), data: False |-- (576, 576), data: False |-- (76, 76), data: True |-- (250, 250), data: True |-- (250, 250), data: True |-- (576, 576), data: False |-- (576, 576), data: False |-- (76, 76), data: True |-- (250, 250), data: True |-- (250, 250), data: True |-- (624, 612), data: False |-- (624, 12), data: (624, 24) @ (24, 12) |-- (124, 112), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (624, 612), data: False |-- (624, 12), data: (624, 24) @ (24, 12) |-- (124, 112), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (624, 612), data: False |-- (624, 12), data: (624, 24) @ (24, 12) |-- (124, 112), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (1152, 1129), data: False |-- (1152, 36), data: (1152, 59) @ (59, 36) |-- (152, 139), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 477), data: False |-- (500, 19), data: (500, 42) @ (42, 19) |-- (250, 231), data: True |-- (250, 227), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 19:35:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:35:22]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.561158680336717 0.000000000000000 0.000000000000000 b 0.000000000000000 3.789418560000000 0.000000000000000 c -1.857779289772376 0.000000000000000 8.923122247230626 Atomic positions (fractional): 1 O 0.58526264023003 0.25000000000000 0.45695963135813 15.999 2 O 0.41473735976997 0.75000000000000 0.54304036864187 15.999 3 O 0.69687305744715 0.25000000000000 0.18390568136372 15.999 4 O 0.30312694255285 0.75000000000000 0.81609431863628 15.999 5 O 0.48470201092718 0.25000000000000 0.74572126656514 15.999 6 O 0.51529798907282 0.75000000000000 0.25427873343486 15.999 7 O 0.17475859970819 0.25000000000000 0.59108169983048 15.999 8 O 0.82524140029181 0.75000000000000 0.40891830016952 15.999 9 O 0.05588187148541 0.25000000000000 0.84750745800255 15.999 10 O 0.94411812851459 0.75000000000000 0.15249254199745 15.999 11 O 0.71831511210776 0.75000000000000 0.68858211012232 15.999 12 O 0.28168488789224 0.25000000000000 0.31141788987768 15.999 13 O 0.64769881104619 0.75000000000000 0.96393075835914 15.999 14 O 0.35230118895381 0.25000000000000 0.03606924164086 15.999 15 Na 0.00208514221251 0.25000000000000 0.34064016178056 22.990 16 Na 0.99791485778749 0.75000000000000 0.65935983821944 22.990 17 Na 0.81871774043303 0.25000000000000 0.91600381460229 22.990 18 Na 0.18128225956697 0.75000000000000 0.08399618539771 22.990 19 Ti 0.46969413739451 0.25000000000000 0.22024886891096 47.867 20 Ti 0.53030586260549 0.75000000000000 0.77975113108904 47.867 21 Ti 0.25126854665313 0.25000000000000 0.82246748030427 47.867 22 Ti 0.74873145334687 0.75000000000000 0.17753251969573 47.867 23 Ti 0.35388799855310 0.25000000000000 0.51505705624730 47.867 24 Ti 0.64611200144690 0.75000000000000 0.48494294375270 47.867 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.122317360673435 0.000000000000000 0.000000000000000 b 0.000000000000000 11.368255680000001 0.000000000000000 c -1.857779289772376 0.000000000000000 8.923122247230626 Atomic positions (fractional): 1 O 0.29263132011501 0.08333333333333 0.45695963135813 15.999 > 1 2 O 0.79263132011501 0.08333333333333 0.45695963135813 15.999 > 1 3 O 0.29263132011501 0.41666666666667 0.45695963135813 15.999 > 1 4 O 0.79263132011501 0.41666666666667 0.45695963135813 15.999 > 1 5 O 0.29263132011501 0.75000000000000 0.45695963135813 15.999 > 1 6 O 0.79263132011501 0.75000000000000 0.45695963135813 15.999 > 1 7 O 0.20736867988499 0.25000000000000 0.54304036864187 15.999 > 7 8 O 0.70736867988499 0.25000000000000 0.54304036864187 15.999 > 7 9 O 0.20736867988499 0.58333333333333 0.54304036864187 15.999 > 7 10 O 0.70736867988499 0.58333333333333 0.54304036864187 15.999 > 7 11 O 0.20736867988499 0.91666666666667 0.54304036864187 15.999 > 7 12 O 0.70736867988499 0.91666666666667 0.54304036864187 15.999 > 7 13 O 0.34843652872357 0.08333333333333 0.18390568136372 15.999 > 13 14 O 0.84843652872357 0.08333333333333 0.18390568136372 15.999 > 13 15 O 0.34843652872357 0.41666666666667 0.18390568136372 15.999 > 13 16 O 0.84843652872357 0.41666666666667 0.18390568136372 15.999 > 13 17 O 0.34843652872357 0.75000000000000 0.18390568136372 15.999 > 13 18 O 0.84843652872357 0.75000000000000 0.18390568136372 15.999 > 13 19 O 0.15156347127643 0.25000000000000 0.81609431863628 15.999 > 19 20 O 0.65156347127643 0.25000000000000 0.81609431863628 15.999 > 19 21 O 0.15156347127643 0.58333333333333 0.81609431863628 15.999 > 19 22 O 0.65156347127643 0.58333333333333 0.81609431863628 15.999 > 19 23 O 0.15156347127643 0.91666666666667 0.81609431863628 15.999 > 19 24 O 0.65156347127643 0.91666666666667 0.81609431863628 15.999 > 19 25 O 0.24235100546359 0.08333333333333 0.74572126656514 15.999 > 25 26 O 0.74235100546359 0.08333333333333 0.74572126656514 15.999 > 25 27 O 0.24235100546359 0.41666666666667 0.74572126656514 15.999 > 25 28 O 0.74235100546359 0.41666666666667 0.74572126656514 15.999 > 25 29 O 0.24235100546359 0.75000000000000 0.74572126656514 15.999 > 25 30 O 0.74235100546359 0.75000000000000 0.74572126656514 15.999 > 25 31 O 0.25764899453641 0.25000000000000 0.25427873343486 15.999 > 31 32 O 0.75764899453641 0.25000000000000 0.25427873343486 15.999 > 31 33 O 0.25764899453641 0.58333333333333 0.25427873343486 15.999 > 31 34 O 0.75764899453641 0.58333333333333 0.25427873343486 15.999 > 31 35 O 0.25764899453641 0.91666666666667 0.25427873343486 15.999 > 31 36 O 0.75764899453641 0.91666666666667 0.25427873343486 15.999 > 31 37 O 0.08737929985409 0.08333333333333 0.59108169983048 15.999 > 37 38 O 0.58737929985409 0.08333333333333 0.59108169983048 15.999 > 37 39 O 0.08737929985409 0.41666666666667 0.59108169983048 15.999 > 37 40 O 0.58737929985409 0.41666666666667 0.59108169983048 15.999 > 37 41 O 0.08737929985409 0.75000000000000 0.59108169983048 15.999 > 37 42 O 0.58737929985409 0.75000000000000 0.59108169983048 15.999 > 37 43 O 0.41262070014591 0.25000000000000 0.40891830016952 15.999 > 43 44 O 0.91262070014591 0.25000000000000 0.40891830016952 15.999 > 43 45 O 0.41262070014591 0.58333333333333 0.40891830016952 15.999 > 43 46 O 0.91262070014591 0.58333333333333 0.40891830016952 15.999 > 43 47 O 0.41262070014591 0.91666666666667 0.40891830016952 15.999 > 43 48 O 0.91262070014591 0.91666666666667 0.40891830016952 15.999 > 43 49 O 0.02794093574270 0.08333333333333 0.84750745800255 15.999 > 49 50 O 0.52794093574270 0.08333333333333 0.84750745800255 15.999 > 49 51 O 0.02794093574270 0.41666666666667 0.84750745800255 15.999 > 49 52 O 0.52794093574270 0.41666666666667 0.84750745800255 15.999 > 49 53 O 0.02794093574270 0.75000000000000 0.84750745800255 15.999 > 49 54 O 0.52794093574270 0.75000000000000 0.84750745800255 15.999 > 49 55 O 0.47205906425730 0.25000000000000 0.15249254199745 15.999 > 55 56 O 0.97205906425730 0.25000000000000 0.15249254199745 15.999 > 55 57 O 0.47205906425730 0.58333333333333 0.15249254199745 15.999 > 55 58 O 0.97205906425730 0.58333333333333 0.15249254199745 15.999 > 55 59 O 0.47205906425730 0.91666666666667 0.15249254199745 15.999 > 55 60 O 0.97205906425730 0.91666666666667 0.15249254199745 15.999 > 55 61 O 0.35915755605388 0.25000000000000 0.68858211012232 15.999 > 61 62 O 0.85915755605388 0.25000000000000 0.68858211012232 15.999 > 61 63 O 0.35915755605388 0.58333333333333 0.68858211012232 15.999 > 61 64 O 0.85915755605388 0.58333333333333 0.68858211012232 15.999 > 61 65 O 0.35915755605388 0.91666666666667 0.68858211012232 15.999 > 61 66 O 0.85915755605388 0.91666666666667 0.68858211012232 15.999 > 61 67 O 0.14084244394612 0.08333333333333 0.31141788987768 15.999 > 67 68 O 0.64084244394612 0.08333333333333 0.31141788987768 15.999 > 67 69 O 0.14084244394612 0.41666666666667 0.31141788987768 15.999 > 67 70 O 0.64084244394612 0.41666666666667 0.31141788987768 15.999 > 67 71 O 0.14084244394612 0.75000000000000 0.31141788987768 15.999 > 67 72 O 0.64084244394612 0.75000000000000 0.31141788987768 15.999 > 67 73 O 0.32384940552310 0.25000000000000 0.96393075835914 15.999 > 73 74 O 0.82384940552310 0.25000000000000 0.96393075835914 15.999 > 73 75 O 0.32384940552310 0.58333333333333 0.96393075835914 15.999 > 73 76 O 0.82384940552310 0.58333333333333 0.96393075835914 15.999 > 73 77 O 0.32384940552310 0.91666666666667 0.96393075835914 15.999 > 73 78 O 0.82384940552310 0.91666666666667 0.96393075835914 15.999 > 73 79 O 0.17615059447690 0.08333333333333 0.03606924164086 15.999 > 79 80 O 0.67615059447690 0.08333333333333 0.03606924164086 15.999 > 79 81 O 0.17615059447690 0.41666666666667 0.03606924164086 15.999 > 79 82 O 0.67615059447690 0.41666666666667 0.03606924164086 15.999 > 79 83 O 0.17615059447690 0.75000000000000 0.03606924164086 15.999 > 79 84 O 0.67615059447690 0.75000000000000 0.03606924164086 15.999 > 79 85 Na 0.00104257110626 0.08333333333333 0.34064016178056 22.990 > 85 86 Na 0.50104257110626 0.08333333333333 0.34064016178056 22.990 > 85 87 Na 0.00104257110626 0.41666666666667 0.34064016178056 22.990 > 85 88 Na 0.50104257110626 0.41666666666667 0.34064016178056 22.990 > 85 89 Na 0.00104257110626 0.75000000000000 0.34064016178056 22.990 > 85 90 Na 0.50104257110626 0.75000000000000 0.34064016178056 22.990 > 85 91 Na 0.49895742889374 0.25000000000000 0.65935983821944 22.990 > 91 92 Na 0.99895742889374 0.25000000000000 0.65935983821944 22.990 > 91 93 Na 0.49895742889374 0.58333333333333 0.65935983821944 22.990 > 91 94 Na 0.99895742889374 0.58333333333333 0.65935983821944 22.990 > 91 95 Na 0.49895742889374 0.91666666666667 0.65935983821944 22.990 > 91 96 Na 0.99895742889374 0.91666666666667 0.65935983821944 22.990 > 91 97 Na 0.40935887021651 0.08333333333333 0.91600381460229 22.990 > 97 98 Na 0.90935887021651 0.08333333333333 0.91600381460229 22.990 > 97 99 Na 0.40935887021651 0.41666666666667 0.91600381460229 22.990 > 97 100 Na 0.90935887021651 0.41666666666667 0.91600381460229 22.990 > 97 101 Na 0.40935887021651 0.75000000000000 0.91600381460229 22.990 > 97 102 Na 0.90935887021651 0.75000000000000 0.91600381460229 22.990 > 97 103 Na 0.09064112978349 0.25000000000000 0.08399618539771 22.990 > 103 104 Na 0.59064112978349 0.25000000000000 0.08399618539771 22.990 > 103 105 Na 0.09064112978349 0.58333333333333 0.08399618539771 22.990 > 103 106 Na 0.59064112978349 0.58333333333333 0.08399618539771 22.990 > 103 107 Na 0.09064112978349 0.91666666666667 0.08399618539771 22.990 > 103 108 Na 0.59064112978349 0.91666666666667 0.08399618539771 22.990 > 103 109 Ti 0.23484706869726 0.08333333333333 0.22024886891096 47.867 > 109 110 Ti 0.73484706869726 0.08333333333333 0.22024886891096 47.867 > 109 111 Ti 0.23484706869726 0.41666666666667 0.22024886891096 47.867 > 109 112 Ti 0.73484706869726 0.41666666666667 0.22024886891096 47.867 > 109 113 Ti 0.23484706869726 0.75000000000000 0.22024886891096 47.867 > 109 114 Ti 0.73484706869726 0.75000000000000 0.22024886891096 47.867 > 109 115 Ti 0.26515293130274 0.25000000000000 0.77975113108904 47.867 > 115 116 Ti 0.76515293130274 0.25000000000000 0.77975113108904 47.867 > 115 117 Ti 0.26515293130274 0.58333333333333 0.77975113108904 47.867 > 115 118 Ti 0.76515293130274 0.58333333333333 0.77975113108904 47.867 > 115 119 Ti 0.26515293130274 0.91666666666667 0.77975113108904 47.867 > 115 120 Ti 0.76515293130274 0.91666666666667 0.77975113108904 47.867 > 115 121 Ti 0.12563427332657 0.08333333333333 0.82246748030427 47.867 > 121 122 Ti 0.62563427332657 0.08333333333333 0.82246748030427 47.867 > 121 123 Ti 0.12563427332657 0.41666666666667 0.82246748030427 47.867 > 121 124 Ti 0.62563427332657 0.41666666666667 0.82246748030427 47.867 > 121 125 Ti 0.12563427332657 0.75000000000000 0.82246748030427 47.867 > 121 126 Ti 0.62563427332657 0.75000000000000 0.82246748030427 47.867 > 121 127 Ti 0.37436572667343 0.25000000000000 0.17753251969573 47.867 > 127 128 Ti 0.87436572667343 0.25000000000000 0.17753251969573 47.867 > 127 129 Ti 0.37436572667343 0.58333333333333 0.17753251969573 47.867 > 127 130 Ti 0.87436572667343 0.58333333333333 0.17753251969573 47.867 > 127 131 Ti 0.37436572667343 0.91666666666667 0.17753251969573 47.867 > 127 132 Ti 0.87436572667343 0.91666666666667 0.17753251969573 47.867 > 127 133 Ti 0.17694399927655 0.08333333333333 0.51505705624730 47.867 > 133 134 Ti 0.67694399927655 0.08333333333333 0.51505705624730 47.867 > 133 135 Ti 0.17694399927655 0.41666666666667 0.51505705624730 47.867 > 133 136 Ti 0.67694399927655 0.41666666666667 0.51505705624730 47.867 > 133 137 Ti 0.17694399927655 0.75000000000000 0.51505705624730 47.867 > 133 138 Ti 0.67694399927655 0.75000000000000 0.51505705624730 47.867 > 133 139 Ti 0.32305600072345 0.25000000000000 0.48494294375270 47.867 > 139 140 Ti 0.82305600072345 0.25000000000000 0.48494294375270 47.867 > 139 141 Ti 0.32305600072345 0.58333333333333 0.48494294375270 47.867 > 139 142 Ti 0.82305600072345 0.58333333333333 0.48494294375270 47.867 > 139 143 Ti 0.32305600072345 0.91666666666667 0.48494294375270 47.867 > 139 144 Ti 0.82305600072345 0.91666666666667 0.48494294375270 47.867 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8543954 0.0000000 -0.3284097 0.0000000 4.9080462 0.0000000 -0.3284107 0.0000000 5.0003297 -------------------------- Born effective charges -------------------------- 1 O -1.3335348 0.0000000 0.1023646 0.0000000 -4.4745005 0.0000000 0.3064989 0.0000000 -1.9057126 2 O -1.3335348 0.0000000 0.1023646 0.0000000 -4.4745005 0.0000000 0.3064989 0.0000000 -1.9057126 3 O -1.7092723 0.0000000 0.2796775 0.0000000 -4.8174098 0.0000000 0.4558639 0.0000000 -1.3779647 4 O -1.7092723 0.0000000 0.2796775 0.0000000 -4.8174098 0.0000000 0.4558639 0.0000000 -1.3779647 5 O -1.3280576 0.0000000 0.1365499 0.0000000 -4.8365016 0.0000000 0.1391443 0.0000000 -1.9583028 6 O -1.3280576 0.0000000 0.1365499 0.0000000 -4.8365016 0.0000000 0.1391443 0.0000000 -1.9583028 7 O -2.4792129 0.0000000 0.6286465 0.0000000 -1.2118403 0.0000000 1.1501565 0.0000000 -3.0234897 8 O -2.4792129 0.0000000 0.6286465 0.0000000 -1.2118403 0.0000000 1.1501565 0.0000000 -3.0234897 9 O -3.2925479 0.0000000 0.3758435 0.0000000 -1.1141052 0.0000000 -0.0607136 0.0000000 -1.3826412 10 O -3.2925479 0.0000000 0.3758435 0.0000000 -1.1141052 0.0000000 -0.0607136 0.0000000 -1.3826412 11 O -2.0436677 0.0000000 0.6462689 0.0000000 -1.1093109 0.0000000 1.1244926 0.0000000 -3.8840954 12 O -2.0436677 0.0000000 0.6462689 0.0000000 -1.1093109 0.0000000 1.1244926 0.0000000 -3.8840954 13 O -0.9484165 0.0000000 -0.5094700 0.0000000 -1.1932650 0.0000000 -1.4258789 0.0000000 -5.3815907 14 O -0.9484165 0.0000000 -0.5094700 0.0000000 -1.1932650 0.0000000 -1.4258789 0.0000000 -5.3815907 15 Na 1.5828238 0.0000000 0.4420373 0.0000000 1.0284063 0.0000000 0.2006063 0.0000000 1.0073651 16 Na 1.5828238 0.0000000 0.4420373 0.0000000 1.0284063 0.0000000 0.2006063 0.0000000 1.0073651 17 Na 1.3721058 0.0000000 -0.2545741 0.0000000 1.0837743 0.0000000 0.1051598 0.0000000 1.1909236 18 Na 1.3721058 0.0000000 -0.2545741 0.0000000 1.0837743 0.0000000 0.1051598 0.0000000 1.1909236 19 Ti 3.5148336 0.0000000 -0.2417394 0.0000000 5.7904126 0.0000000 -0.9212105 0.0000000 5.6602672 20 Ti 3.5148336 0.0000000 -0.2417394 0.0000000 5.7904126 0.0000000 -0.9212105 0.0000000 5.6602672 21 Ti 3.4997191 0.0000000 -0.5589902 0.0000000 5.6281775 0.0000000 0.3445663 0.0000000 5.7546376 22 Ti 3.4997191 0.0000000 -0.5589902 0.0000000 5.6281775 0.0000000 0.3445663 0.0000000 5.7546376 23 Ti 3.1652274 0.0000000 -1.0466145 0.0000000 5.2261626 0.0000000 -1.4186857 0.0000000 5.3006036 24 Ti 3.1652274 0.0000000 -1.0466145 0.0000000 5.2261626 0.0000000 -1.4186857 0.0000000 5.3006036 ---------------------------------------------------------------------------- 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] [-0.0020 0.0000 0.0098] [ 0.0020 0.0000 -0.0098] 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] [-0.0020 0.0000 0.0098] [ 0.0020 0.0000 -0.0098] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0020 0.0000 0.0098] [ 0.0020 0.0000 -0.0098] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0020 0.0000 0.0098] [ 0.0020 0.0000 -0.0098] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0020 0.0000 0.0098] [ 0.0020 0.0000 -0.0098] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0020 0.0000 0.0098] [ 0.0020 0.0000 -0.0098] 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] [-0.0020 0.0000 0.0098] [ 0.0020 0.0000 -0.0098] Computing fc3[ 85, 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] [-0.0020 0.0000 0.0098] [ 0.0020 0.0000 -0.0098] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0020 0.0000 0.0098] [ 0.0020 0.0000 -0.0098] Computing fc3[ 109, 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] [-0.0020 0.0000 0.0098] [ 0.0020 0.0000 -0.0098] Computing fc3[ 121, 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] [-0.0020 0.0000 0.0098] [ 0.0020 0.0000 -0.0098] Computing fc3[ 133, 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] [-0.0020 0.0000 0.0098] [ 0.0020 0.0000 -0.0098] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): 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 2026-01-07 19:36:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:36:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.561158680336717 0.000000000000000 0.000000000000000 b 0.000000000000000 3.789418560000000 0.000000000000000 c -1.857779289772376 0.000000000000000 8.923122247230626 Atomic positions (fractional): 1 O 0.58526264023003 0.25000000000000 0.45695963135813 15.999 2 O 0.41473735976997 0.75000000000000 0.54304036864187 15.999 3 O 0.69687305744715 0.25000000000000 0.18390568136372 15.999 4 O 0.30312694255285 0.75000000000000 0.81609431863628 15.999 5 O 0.48470201092718 0.25000000000000 0.74572126656514 15.999 6 O 0.51529798907282 0.75000000000000 0.25427873343486 15.999 7 O 0.17475859970819 0.25000000000000 0.59108169983048 15.999 8 O 0.82524140029181 0.75000000000000 0.40891830016952 15.999 9 O 0.05588187148541 0.25000000000000 0.84750745800255 15.999 10 O 0.94411812851459 0.75000000000000 0.15249254199745 15.999 11 O 0.71831511210776 0.75000000000000 0.68858211012232 15.999 12 O 0.28168488789224 0.25000000000000 0.31141788987768 15.999 13 O 0.64769881104619 0.75000000000000 0.96393075835914 15.999 14 O 0.35230118895381 0.25000000000000 0.03606924164086 15.999 15 Na 0.00208514221251 0.25000000000000 0.34064016178056 22.990 16 Na 0.99791485778749 0.75000000000000 0.65935983821944 22.990 17 Na 0.81871774043303 0.25000000000000 0.91600381460229 22.990 18 Na 0.18128225956697 0.75000000000000 0.08399618539771 22.990 19 Ti 0.46969413739451 0.25000000000000 0.22024886891096 47.867 20 Ti 0.53030586260549 0.75000000000000 0.77975113108904 47.867 21 Ti 0.25126854665313 0.25000000000000 0.82246748030427 47.867 22 Ti 0.74873145334687 0.75000000000000 0.17753251969573 47.867 23 Ti 0.35388799855310 0.25000000000000 0.51505705624730 47.867 24 Ti 0.64611200144690 0.75000000000000 0.48494294375270 47.867 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.122317360673435 0.000000000000000 0.000000000000000 b 0.000000000000000 11.368255680000001 0.000000000000000 c -1.857779289772376 0.000000000000000 8.923122247230626 Atomic positions (fractional): 1 O 0.29263132011501 0.08333333333333 0.45695963135813 15.999 > 1 2 O 0.79263132011501 0.08333333333333 0.45695963135813 15.999 > 1 3 O 0.29263132011501 0.41666666666667 0.45695963135813 15.999 > 1 4 O 0.79263132011501 0.41666666666667 0.45695963135813 15.999 > 1 5 O 0.29263132011501 0.75000000000000 0.45695963135813 15.999 > 1 6 O 0.79263132011501 0.75000000000000 0.45695963135813 15.999 > 1 7 O 0.20736867988499 0.25000000000000 0.54304036864187 15.999 > 7 8 O 0.70736867988499 0.25000000000000 0.54304036864187 15.999 > 7 9 O 0.20736867988499 0.58333333333333 0.54304036864187 15.999 > 7 10 O 0.70736867988499 0.58333333333333 0.54304036864187 15.999 > 7 11 O 0.20736867988499 0.91666666666667 0.54304036864187 15.999 > 7 12 O 0.70736867988499 0.91666666666667 0.54304036864187 15.999 > 7 13 O 0.34843652872357 0.08333333333333 0.18390568136372 15.999 > 13 14 O 0.84843652872357 0.08333333333333 0.18390568136372 15.999 > 13 15 O 0.34843652872357 0.41666666666667 0.18390568136372 15.999 > 13 16 O 0.84843652872357 0.41666666666667 0.18390568136372 15.999 > 13 17 O 0.34843652872357 0.75000000000000 0.18390568136372 15.999 > 13 18 O 0.84843652872357 0.75000000000000 0.18390568136372 15.999 > 13 19 O 0.15156347127643 0.25000000000000 0.81609431863628 15.999 > 19 20 O 0.65156347127643 0.25000000000000 0.81609431863628 15.999 > 19 21 O 0.15156347127643 0.58333333333333 0.81609431863628 15.999 > 19 22 O 0.65156347127643 0.58333333333333 0.81609431863628 15.999 > 19 23 O 0.15156347127643 0.91666666666667 0.81609431863628 15.999 > 19 24 O 0.65156347127643 0.91666666666667 0.81609431863628 15.999 > 19 25 O 0.24235100546359 0.08333333333333 0.74572126656514 15.999 > 25 26 O 0.74235100546359 0.08333333333333 0.74572126656514 15.999 > 25 27 O 0.24235100546359 0.41666666666667 0.74572126656514 15.999 > 25 28 O 0.74235100546359 0.41666666666667 0.74572126656514 15.999 > 25 29 O 0.24235100546359 0.75000000000000 0.74572126656514 15.999 > 25 30 O 0.74235100546359 0.75000000000000 0.74572126656514 15.999 > 25 31 O 0.25764899453641 0.25000000000000 0.25427873343486 15.999 > 31 32 O 0.75764899453641 0.25000000000000 0.25427873343486 15.999 > 31 33 O 0.25764899453641 0.58333333333333 0.25427873343486 15.999 > 31 34 O 0.75764899453641 0.58333333333333 0.25427873343486 15.999 > 31 35 O 0.25764899453641 0.91666666666667 0.25427873343486 15.999 > 31 36 O 0.75764899453641 0.91666666666667 0.25427873343486 15.999 > 31 37 O 0.08737929985409 0.08333333333333 0.59108169983048 15.999 > 37 38 O 0.58737929985409 0.08333333333333 0.59108169983048 15.999 > 37 39 O 0.08737929985409 0.41666666666667 0.59108169983048 15.999 > 37 40 O 0.58737929985409 0.41666666666667 0.59108169983048 15.999 > 37 41 O 0.08737929985409 0.75000000000000 0.59108169983048 15.999 > 37 42 O 0.58737929985409 0.75000000000000 0.59108169983048 15.999 > 37 43 O 0.41262070014591 0.25000000000000 0.40891830016952 15.999 > 43 44 O 0.91262070014591 0.25000000000000 0.40891830016952 15.999 > 43 45 O 0.41262070014591 0.58333333333333 0.40891830016952 15.999 > 43 46 O 0.91262070014591 0.58333333333333 0.40891830016952 15.999 > 43 47 O 0.41262070014591 0.91666666666667 0.40891830016952 15.999 > 43 48 O 0.91262070014591 0.91666666666667 0.40891830016952 15.999 > 43 49 O 0.02794093574270 0.08333333333333 0.84750745800255 15.999 > 49 50 O 0.52794093574270 0.08333333333333 0.84750745800255 15.999 > 49 51 O 0.02794093574270 0.41666666666667 0.84750745800255 15.999 > 49 52 O 0.52794093574270 0.41666666666667 0.84750745800255 15.999 > 49 53 O 0.02794093574270 0.75000000000000 0.84750745800255 15.999 > 49 54 O 0.52794093574270 0.75000000000000 0.84750745800255 15.999 > 49 55 O 0.47205906425730 0.25000000000000 0.15249254199745 15.999 > 55 56 O 0.97205906425730 0.25000000000000 0.15249254199745 15.999 > 55 57 O 0.47205906425730 0.58333333333333 0.15249254199745 15.999 > 55 58 O 0.97205906425730 0.58333333333333 0.15249254199745 15.999 > 55 59 O 0.47205906425730 0.91666666666667 0.15249254199745 15.999 > 55 60 O 0.97205906425730 0.91666666666667 0.15249254199745 15.999 > 55 61 O 0.35915755605388 0.25000000000000 0.68858211012232 15.999 > 61 62 O 0.85915755605388 0.25000000000000 0.68858211012232 15.999 > 61 63 O 0.35915755605388 0.58333333333333 0.68858211012232 15.999 > 61 64 O 0.85915755605388 0.58333333333333 0.68858211012232 15.999 > 61 65 O 0.35915755605388 0.91666666666667 0.68858211012232 15.999 > 61 66 O 0.85915755605388 0.91666666666667 0.68858211012232 15.999 > 61 67 O 0.14084244394612 0.08333333333333 0.31141788987768 15.999 > 67 68 O 0.64084244394612 0.08333333333333 0.31141788987768 15.999 > 67 69 O 0.14084244394612 0.41666666666667 0.31141788987768 15.999 > 67 70 O 0.64084244394612 0.41666666666667 0.31141788987768 15.999 > 67 71 O 0.14084244394612 0.75000000000000 0.31141788987768 15.999 > 67 72 O 0.64084244394612 0.75000000000000 0.31141788987768 15.999 > 67 73 O 0.32384940552310 0.25000000000000 0.96393075835914 15.999 > 73 74 O 0.82384940552310 0.25000000000000 0.96393075835914 15.999 > 73 75 O 0.32384940552310 0.58333333333333 0.96393075835914 15.999 > 73 76 O 0.82384940552310 0.58333333333333 0.96393075835914 15.999 > 73 77 O 0.32384940552310 0.91666666666667 0.96393075835914 15.999 > 73 78 O 0.82384940552310 0.91666666666667 0.96393075835914 15.999 > 73 79 O 0.17615059447690 0.08333333333333 0.03606924164086 15.999 > 79 80 O 0.67615059447690 0.08333333333333 0.03606924164086 15.999 > 79 81 O 0.17615059447690 0.41666666666667 0.03606924164086 15.999 > 79 82 O 0.67615059447690 0.41666666666667 0.03606924164086 15.999 > 79 83 O 0.17615059447690 0.75000000000000 0.03606924164086 15.999 > 79 84 O 0.67615059447690 0.75000000000000 0.03606924164086 15.999 > 79 85 Na 0.00104257110626 0.08333333333333 0.34064016178056 22.990 > 85 86 Na 0.50104257110626 0.08333333333333 0.34064016178056 22.990 > 85 87 Na 0.00104257110626 0.41666666666667 0.34064016178056 22.990 > 85 88 Na 0.50104257110626 0.41666666666667 0.34064016178056 22.990 > 85 89 Na 0.00104257110626 0.75000000000000 0.34064016178056 22.990 > 85 90 Na 0.50104257110626 0.75000000000000 0.34064016178056 22.990 > 85 91 Na 0.49895742889374 0.25000000000000 0.65935983821944 22.990 > 91 92 Na 0.99895742889374 0.25000000000000 0.65935983821944 22.990 > 91 93 Na 0.49895742889374 0.58333333333333 0.65935983821944 22.990 > 91 94 Na 0.99895742889374 0.58333333333333 0.65935983821944 22.990 > 91 95 Na 0.49895742889374 0.91666666666667 0.65935983821944 22.990 > 91 96 Na 0.99895742889374 0.91666666666667 0.65935983821944 22.990 > 91 97 Na 0.40935887021651 0.08333333333333 0.91600381460229 22.990 > 97 98 Na 0.90935887021651 0.08333333333333 0.91600381460229 22.990 > 97 99 Na 0.40935887021651 0.41666666666667 0.91600381460229 22.990 > 97 100 Na 0.90935887021651 0.41666666666667 0.91600381460229 22.990 > 97 101 Na 0.40935887021651 0.75000000000000 0.91600381460229 22.990 > 97 102 Na 0.90935887021651 0.75000000000000 0.91600381460229 22.990 > 97 103 Na 0.09064112978349 0.25000000000000 0.08399618539771 22.990 > 103 104 Na 0.59064112978349 0.25000000000000 0.08399618539771 22.990 > 103 105 Na 0.09064112978349 0.58333333333333 0.08399618539771 22.990 > 103 106 Na 0.59064112978349 0.58333333333333 0.08399618539771 22.990 > 103 107 Na 0.09064112978349 0.91666666666667 0.08399618539771 22.990 > 103 108 Na 0.59064112978349 0.91666666666667 0.08399618539771 22.990 > 103 109 Ti 0.23484706869726 0.08333333333333 0.22024886891096 47.867 > 109 110 Ti 0.73484706869726 0.08333333333333 0.22024886891096 47.867 > 109 111 Ti 0.23484706869726 0.41666666666667 0.22024886891096 47.867 > 109 112 Ti 0.73484706869726 0.41666666666667 0.22024886891096 47.867 > 109 113 Ti 0.23484706869726 0.75000000000000 0.22024886891096 47.867 > 109 114 Ti 0.73484706869726 0.75000000000000 0.22024886891096 47.867 > 109 115 Ti 0.26515293130274 0.25000000000000 0.77975113108904 47.867 > 115 116 Ti 0.76515293130274 0.25000000000000 0.77975113108904 47.867 > 115 117 Ti 0.26515293130274 0.58333333333333 0.77975113108904 47.867 > 115 118 Ti 0.76515293130274 0.58333333333333 0.77975113108904 47.867 > 115 119 Ti 0.26515293130274 0.91666666666667 0.77975113108904 47.867 > 115 120 Ti 0.76515293130274 0.91666666666667 0.77975113108904 47.867 > 115 121 Ti 0.12563427332657 0.08333333333333 0.82246748030427 47.867 > 121 122 Ti 0.62563427332657 0.08333333333333 0.82246748030427 47.867 > 121 123 Ti 0.12563427332657 0.41666666666667 0.82246748030427 47.867 > 121 124 Ti 0.62563427332657 0.41666666666667 0.82246748030427 47.867 > 121 125 Ti 0.12563427332657 0.75000000000000 0.82246748030427 47.867 > 121 126 Ti 0.62563427332657 0.75000000000000 0.82246748030427 47.867 > 121 127 Ti 0.37436572667343 0.25000000000000 0.17753251969573 47.867 > 127 128 Ti 0.87436572667343 0.25000000000000 0.17753251969573 47.867 > 127 129 Ti 0.37436572667343 0.58333333333333 0.17753251969573 47.867 > 127 130 Ti 0.87436572667343 0.58333333333333 0.17753251969573 47.867 > 127 131 Ti 0.37436572667343 0.91666666666667 0.17753251969573 47.867 > 127 132 Ti 0.87436572667343 0.91666666666667 0.17753251969573 47.867 > 127 133 Ti 0.17694399927655 0.08333333333333 0.51505705624730 47.867 > 133 134 Ti 0.67694399927655 0.08333333333333 0.51505705624730 47.867 > 133 135 Ti 0.17694399927655 0.41666666666667 0.51505705624730 47.867 > 133 136 Ti 0.67694399927655 0.41666666666667 0.51505705624730 47.867 > 133 137 Ti 0.17694399927655 0.75000000000000 0.51505705624730 47.867 > 133 138 Ti 0.67694399927655 0.75000000000000 0.51505705624730 47.867 > 133 139 Ti 0.32305600072345 0.25000000000000 0.48494294375270 47.867 > 139 140 Ti 0.82305600072345 0.25000000000000 0.48494294375270 47.867 > 139 141 Ti 0.32305600072345 0.58333333333333 0.48494294375270 47.867 > 139 142 Ti 0.82305600072345 0.58333333333333 0.48494294375270 47.867 > 139 143 Ti 0.32305600072345 0.91666666666667 0.48494294375270 47.867 > 139 144 Ti 0.82305600072345 0.91666666666667 0.48494294375270 47.867 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.8543954 0.0000000 -0.3284097 0.0000000 4.9080462 0.0000000 -0.3284107 0.0000000 5.0003297 -------------------------- Born effective charges -------------------------- 1 O -1.3335348 0.0000000 0.1023646 0.0000000 -4.4745005 0.0000000 0.3064989 0.0000000 -1.9057126 2 O -1.3335348 0.0000000 0.1023646 0.0000000 -4.4745005 0.0000000 0.3064989 0.0000000 -1.9057126 3 O -1.7092723 0.0000000 0.2796775 0.0000000 -4.8174098 0.0000000 0.4558639 0.0000000 -1.3779647 4 O -1.7092723 0.0000000 0.2796775 0.0000000 -4.8174098 0.0000000 0.4558639 0.0000000 -1.3779647 5 O -1.3280576 0.0000000 0.1365499 0.0000000 -4.8365016 0.0000000 0.1391443 0.0000000 -1.9583028 6 O -1.3280576 0.0000000 0.1365499 0.0000000 -4.8365016 0.0000000 0.1391443 0.0000000 -1.9583028 7 O -2.4792129 0.0000000 0.6286465 0.0000000 -1.2118403 0.0000000 1.1501565 0.0000000 -3.0234897 8 O -2.4792129 0.0000000 0.6286465 0.0000000 -1.2118403 0.0000000 1.1501565 0.0000000 -3.0234897 9 O -3.2925479 0.0000000 0.3758435 0.0000000 -1.1141052 0.0000000 -0.0607136 0.0000000 -1.3826412 10 O -3.2925479 0.0000000 0.3758435 0.0000000 -1.1141052 0.0000000 -0.0607136 0.0000000 -1.3826412 11 O -2.0436677 0.0000000 0.6462689 0.0000000 -1.1093109 0.0000000 1.1244926 0.0000000 -3.8840954 12 O -2.0436677 0.0000000 0.6462689 0.0000000 -1.1093109 0.0000000 1.1244926 0.0000000 -3.8840954 13 O -0.9484165 0.0000000 -0.5094700 0.0000000 -1.1932650 0.0000000 -1.4258789 0.0000000 -5.3815907 14 O -0.9484165 0.0000000 -0.5094700 0.0000000 -1.1932650 0.0000000 -1.4258789 0.0000000 -5.3815907 15 Na 1.5828238 0.0000000 0.4420373 0.0000000 1.0284063 0.0000000 0.2006063 0.0000000 1.0073651 16 Na 1.5828238 0.0000000 0.4420373 0.0000000 1.0284063 0.0000000 0.2006063 0.0000000 1.0073651 17 Na 1.3721058 0.0000000 -0.2545741 0.0000000 1.0837743 0.0000000 0.1051598 0.0000000 1.1909236 18 Na 1.3721058 0.0000000 -0.2545741 0.0000000 1.0837743 0.0000000 0.1051598 0.0000000 1.1909236 19 Ti 3.5148336 0.0000000 -0.2417394 0.0000000 5.7904126 0.0000000 -0.9212105 0.0000000 5.6602672 20 Ti 3.5148336 0.0000000 -0.2417394 0.0000000 5.7904126 0.0000000 -0.9212105 0.0000000 5.6602672 21 Ti 3.4997191 0.0000000 -0.5589902 0.0000000 5.6281775 0.0000000 0.3445663 0.0000000 5.7546376 22 Ti 3.4997191 0.0000000 -0.5589902 0.0000000 5.6281775 0.0000000 0.3445663 0.0000000 5.7546376 23 Ti 3.1652274 0.0000000 -1.0466145 0.0000000 5.2261626 0.0000000 -1.4186857 0.0000000 5.3006036 24 Ti 3.1652274 0.0000000 -1.0466145 0.0000000 5.2261626 0.0000000 -1.4186857 0.0000000 5.3006036 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 13 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.63, Number of G-points: 305, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/140) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 140 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 2.175 ( 0.000 0.000 0.000) 0.000 2.234 ( 0.000 0.000 0.000) 0.000 2.900 ( 0.000 0.000 0.000) 0.000 3.310 ( 0.000 0.000 0.000) 0.000 3.353 ( 0.000 0.000 0.000) 0.000 3.396 ( 0.000 0.000 0.000) 0.000 3.431 ( 0.000 0.000 0.000) 0.000 3.435 ( 0.000 0.000 0.000) 0.000 4.095 ( 0.000 0.000 0.000) 0.000 4.437 ( 0.000 0.000 0.000) 0.000 4.476 ( 0.000 0.000 0.000) 0.000 4.501 ( 0.000 0.000 0.000) 0.000 4.534 ( 0.000 0.000 0.000) 0.000 4.953 ( 0.000 0.000 0.000) 0.000 5.017 ( 0.000 0.000 0.000) 0.000 5.633 ( 0.000 0.000 0.000) 0.000 5.636 ( 0.000 0.000 0.000) 0.000 5.677 ( 0.000 0.000 0.000) 0.000 5.909 ( 0.000 0.000 0.000) 0.000 6.227 ( 0.000 0.000 0.000) 0.000 6.343 ( 0.000 0.000 0.000) 0.000 6.360 ( 0.000 0.000 0.000) 0.000 6.736 ( 0.000 0.000 0.000) 0.000 6.795 ( 0.000 0.000 0.000) 0.000 6.948 ( 0.000 0.000 0.000) 0.000 7.214 ( 0.000 0.000 0.000) 0.000 7.262 ( 0.000 0.000 0.000) 0.000 7.459 ( 0.000 0.000 0.000) 0.000 7.495 ( 0.000 0.000 0.000) 0.000 7.914 ( 0.000 0.000 0.000) 0.000 8.122 ( 0.000 0.000 0.000) 0.000 8.224 ( 0.000 0.000 0.000) 0.000 8.272 ( 0.000 0.000 0.000) 0.000 8.284 ( 0.000 0.000 0.000) 0.000 8.404 ( 0.000 0.000 0.000) 0.000 8.615 ( 0.000 0.000 0.000) 0.000 8.628 ( 0.000 0.000 0.000) 0.000 9.107 ( 0.000 0.000 0.000) 0.000 9.254 ( 0.000 0.000 0.000) 0.000 9.311 ( 0.000 0.000 0.000) 0.000 9.745 ( 0.000 0.000 0.000) 0.000 10.156 ( 0.000 0.000 0.000) 0.000 10.288 ( 0.000 0.000 0.000) 0.000 11.215 ( 0.000 0.000 0.000) 0.000 11.276 ( 0.000 0.000 0.000) 0.000 11.517 ( 0.000 0.000 0.000) 0.000 12.037 ( 0.000 0.000 0.000) 0.000 12.977 ( 0.000 0.000 0.000) 0.000 13.001 ( 0.000 0.000 0.000) 0.000 13.465 ( 0.000 0.000 0.000) 0.000 13.899 ( 0.000 0.000 0.000) 0.000 14.000 ( 0.000 0.000 0.000) 0.000 14.116 ( 0.000 0.000 0.000) 0.000 14.391 ( 0.000 0.000 0.000) 0.000 15.373 ( 0.000 0.000 0.000) 0.000 16.170 ( 0.000 0.000 0.000) 0.000 16.408 ( 0.000 0.000 0.000) 0.000 16.991 ( 0.000 0.000 0.000) 0.000 17.023 ( 0.000 0.000 0.000) 0.000 18.238 ( 0.000 0.000 0.000) 0.000 18.939 ( 0.000 0.000 0.000) 0.000 19.747 ( 0.000 0.000 0.000) 0.000 20.188 ( 0.000 0.000 0.000) 0.000 21.107 ( 0.000 0.000 0.000) 0.000 21.872 ( 0.000 0.000 0.000) 0.000 24.240 ( 0.000 0.000 0.000) 0.000 24.865 ( 0.000 0.000 0.000) 0.000 26.148 ( 0.000 0.000 0.000) 0.000 26.839 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/140) ======================= q-point: ( 0.17 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.585 ( 27.977 0.000 2.188) 28.062 0.632 ( 31.568 0.000 -3.503) 31.761 1.202 ( 55.958 0.000 17.496) 58.629 2.024 ( -14.234 0.000 19.000) 23.741 2.354 ( 5.262 0.000 2.142) 5.681 2.893 ( -1.775 0.000 0.664) 1.895 3.240 ( -5.705 0.000 -0.109) 5.706 3.299 ( -0.565 0.000 -3.135) 3.186 3.399 ( 0.065 0.000 1.129) 1.131 3.538 ( -2.147 0.000 10.484) 10.702 3.545 ( 6.979 0.000 -2.221) 7.324 4.039 ( -5.539 0.000 -1.320) 5.695 4.370 ( -6.904 0.000 -5.746) 8.982 4.387 ( -4.284 0.000 1.704) 4.611 4.531 ( 2.610 0.000 -2.998) 3.975 4.569 ( 3.315 0.000 -5.301) 6.252 4.944 ( -3.932 0.000 16.784) 17.239 5.018 ( -0.190 0.000 1.179) 1.194 5.600 ( -3.506 0.000 3.381) 4.871 5.685 ( 0.815 0.000 -1.778) 1.956 5.783 ( 10.971 0.000 -6.594) 12.800 6.188 ( -2.022 0.000 -3.826) 4.328 6.226 ( -17.356 0.000 28.771) 33.601 6.383 ( 2.314 0.000 2.633) 3.505 6.501 ( -4.449 0.000 38.660) 38.915 6.727 ( -4.054 0.000 10.762) 11.500 6.828 ( -2.816 0.000 -25.241) 25.398 7.178 ( -2.157 0.000 0.147) 2.162 7.287 ( -7.530 0.000 -3.143) 8.160 7.304 ( 2.746 0.000 0.125) 2.749 7.430 ( -3.643 0.000 2.935) 4.679 7.545 ( -6.898 0.000 26.286) 27.176 7.916 ( 0.374 0.000 -0.705) 0.798 8.113 ( -1.112 0.000 0.999) 1.495 8.122 ( -6.185 0.000 -15.279) 16.483 8.301 ( 1.756 0.000 -0.730) 1.902 8.354 ( 2.476 0.000 2.262) 3.353 8.601 ( -1.343 0.000 0.094) 1.346 8.667 ( 6.324 0.000 -8.007) 10.203 8.689 ( 16.832 0.000 -12.308) 20.852 9.138 ( -5.120 0.000 11.047) 12.176 9.315 ( -2.685 0.000 13.232) 13.502 9.431 ( 11.043 0.000 -58.542) 59.575 9.769 ( 2.300 0.000 -4.224) 4.809 10.143 ( -1.773 0.000 0.702) 1.907 10.305 ( 2.039 0.000 -1.400) 2.473 11.218 ( -1.026 0.000 6.339) 6.422 11.298 ( 3.090 0.000 -16.750) 17.033 11.501 ( -0.839 0.000 -1.155) 1.428 12.112 ( 6.468 0.000 1.000) 6.545 12.976 ( -0.081 0.000 -0.004) 0.081 13.013 ( 1.194 0.000 -0.162) 1.205 13.467 ( 0.115 0.000 0.127) 0.171 13.896 ( -2.205 0.000 3.353) 4.013 13.953 ( -2.416 0.000 -6.754) 7.174 14.117 ( 0.095 0.000 0.014) 0.096 14.387 ( -0.136 0.000 -1.090) 1.099 15.372 ( -0.043 0.000 0.018) 0.046 16.162 ( -5.323 0.000 0.964) 5.410 17.024 ( 0.136 0.000 -0.031) 0.139 17.047 ( 4.641 0.000 1.077) 4.764 17.554 ( 11.798 0.000 -59.833) 60.985 18.241 ( 0.265 0.000 0.043) 0.268 18.937 ( -0.174 0.000 -0.025) 0.175 19.816 ( -5.316 0.000 34.018) 34.431 20.192 ( 0.461 0.000 -0.626) 0.777 21.626 ( -0.361 0.000 2.279) 2.308 21.857 ( -1.956 0.000 2.477) 3.156 24.898 ( 2.836 0.000 1.658) 3.285 26.085 ( -7.430 0.000 8.965) 11.644 26.697 ( 0.654 0.000 4.421) 4.470 26.889 ( 2.782 0.000 8.419) 8.866 ======================= Grid point 2 (3/140) ======================= q-point: ( 0.33 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( 19.167 0.000 1.311) 19.212 1.168 ( 25.414 0.000 -9.354) 27.081 1.819 ( -14.452 0.000 17.694) 22.845 2.210 ( 30.965 0.000 12.271) 33.308 2.496 ( 16.419 0.000 1.637) 16.500 2.805 ( -6.773 0.000 1.091) 6.860 3.193 ( 0.827 0.000 -1.493) 1.707 3.267 ( -1.060 0.000 -2.847) 3.038 3.403 ( -0.326 0.000 1.477) 1.512 3.546 ( 0.788 0.000 2.475) 2.598 3.650 ( 4.384 0.000 -1.722) 4.710 3.863 ( -9.987 0.000 -7.101) 12.254 4.256 ( -1.932 0.000 -3.437) 3.943 4.310 ( -3.608 0.000 0.969) 3.735 4.565 ( 1.912 0.000 -2.341) 3.023 4.608 ( 0.652 0.000 2.217) 2.311 4.857 ( -12.071 0.000 6.034) 13.495 5.017 ( -0.435 0.000 1.460) 1.523 5.543 ( -3.000 0.000 2.218) 3.731 5.690 ( 0.218 0.000 -0.841) 0.869 5.872 ( -2.513 0.000 -2.792) 3.757 6.038 ( -4.088 0.000 8.800) 9.703 6.142 ( -1.121 0.000 -2.641) 2.869 6.430 ( 1.444 0.000 1.541) 2.112 6.533 ( -1.752 0.000 7.553) 7.754 6.627 ( -1.677 0.000 -11.777) 11.896 6.861 ( 10.126 0.000 -7.162) 12.403 7.144 ( -8.264 0.000 12.594) 15.063 7.147 ( -1.115 0.000 0.219) 1.136 7.334 ( -8.469 0.000 6.085) 10.428 7.350 ( 1.717 0.000 0.075) 1.719 7.535 ( -2.271 0.000 7.294) 7.639 7.922 ( 0.463 0.000 -0.790) 0.916 7.949 ( -6.217 0.000 -2.878) 6.851 8.093 ( -1.100 0.000 0.973) 1.469 8.338 ( 2.063 0.000 -0.678) 2.172 8.393 ( 1.486 0.000 -0.091) 1.488 8.569 ( -1.746 0.000 0.152) 1.753 8.705 ( 1.178 0.000 -1.653) 2.030 8.979 ( 10.473 0.000 4.207) 11.286 9.079 ( -1.151 0.000 -3.903) 4.070 9.286 ( -3.461 0.000 1.563) 3.798 9.438 ( 5.372 0.000 -17.798) 18.591 9.808 ( 2.958 0.000 -2.631) 3.959 10.093 ( -2.888 0.000 -0.442) 2.922 10.345 ( 2.085 0.000 -0.811) 2.237 11.227 ( -1.071 0.000 8.328) 8.396 11.285 ( 1.444 0.000 -11.144) 11.237 11.489 ( -0.006 0.000 -0.832) 0.832 12.251 ( 6.138 0.000 1.494) 6.317 12.974 ( -0.081 0.000 -0.004) 0.081 13.038 ( 1.239 0.000 -0.188) 1.253 13.471 ( 0.122 0.000 0.818) 0.827 13.805 ( -6.168 0.000 0.833) 6.224 13.920 ( 0.458 0.000 -3.386) 3.417 14.119 ( 0.093 0.000 0.014) 0.095 14.381 ( 0.044 0.000 -0.959) 0.960 15.371 ( -0.042 0.000 0.017) 0.046 16.062 ( -4.459 0.000 0.861) 4.542 17.027 ( 0.135 0.000 -0.031) 0.139 17.143 ( 3.852 0.000 1.894) 4.293 17.538 ( 3.741 0.000 -22.369) 22.680 18.246 ( 0.267 0.000 0.043) 0.270 18.933 ( -0.175 0.000 -0.025) 0.177 19.852 ( -1.438 0.000 14.328) 14.400 20.200 ( 0.530 0.000 -0.295) 0.606 21.634 ( 1.826 0.000 -5.453) 5.751 21.821 ( -2.736 0.000 3.627) 4.544 24.971 ( 3.270 0.000 1.588) 3.635 25.972 ( -6.620 0.000 7.145) 9.740 26.725 ( 2.084 0.000 -4.803) 5.236 26.982 ( 2.748 0.000 6.799) 7.334 ======================= Grid point 3 (4/140) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( 0.000 0.000 -0.000) 0.000 1.481 ( 0.000 0.000 -0.000) 0.000 1.636 ( -0.000 0.000 0.000) 0.000 2.386 ( -0.000 0.000 0.000) 0.000 2.723 ( 0.000 0.000 -0.000) 0.000 2.902 ( 0.000 0.000 0.000) 0.000 3.208 ( 0.000 0.000 0.000) 0.000 3.248 ( 0.000 0.000 -0.000) 0.000 3.401 ( 0.000 0.000 -0.000) 0.000 3.592 ( 0.000 0.000 0.000) 0.000 3.689 ( 0.000 0.000 0.000) 0.000 3.691 ( 0.000 0.000 0.000) 0.000 4.239 ( 0.000 0.000 -0.000) 0.000 4.273 ( 0.000 0.000 -0.000) 0.000 4.578 ( 0.000 0.000 0.000) 0.000 4.580 ( 0.000 0.000 0.000) 0.000 4.699 ( 0.000 0.000 -0.000) 0.000 5.015 ( 0.000 0.000 -0.000) 0.000 5.517 ( 0.000 0.000 -0.000) 0.000 5.690 ( 0.000 0.000 -0.000) 0.000 5.833 ( 0.000 0.000 0.000) 0.000 6.035 ( 0.000 0.000 -0.000) 0.000 6.126 ( 0.000 0.000 0.000) 0.000 6.448 ( 0.000 0.000 -0.000) 0.000 6.530 ( 0.000 0.000 -0.000) 0.000 6.588 ( 0.000 0.000 0.000) 0.000 7.019 ( -0.000 0.000 0.000) 0.000 7.088 ( 0.000 0.000 -0.000) 0.000 7.137 ( 0.000 0.000 -0.000) 0.000 7.197 ( 0.000 0.000 -0.000) 0.000 7.367 ( 0.000 0.000 0.000) 0.000 7.522 ( 0.000 0.000 -0.000) 0.000 7.884 ( -0.000 0.000 0.000) 0.000 7.925 ( 0.000 0.000 0.000) 0.000 8.084 ( 0.000 0.000 -0.000) 0.000 8.360 ( 0.000 0.000 0.000) 0.000 8.409 ( 0.000 0.000 0.000) 0.000 8.549 ( 0.000 0.000 -0.000) 0.000 8.711 ( 0.000 0.000 0.000) 0.000 9.029 ( 0.000 0.000 0.000) 0.000 9.146 ( 0.000 0.000 0.000) 0.000 9.225 ( -0.000 0.000 -0.000) 0.000 9.461 ( 0.000 0.000 -0.000) 0.000 9.840 ( 0.000 0.000 0.000) 0.000 10.056 ( 0.000 0.000 0.000) 0.000 10.365 ( 0.000 0.000 0.000) 0.000 11.237 ( 0.000 0.000 -0.000) 0.000 11.273 ( -0.000 0.000 0.000) 0.000 11.489 ( 0.000 0.000 0.000) 0.000 12.321 ( 0.000 0.000 0.000) 0.000 12.974 ( 0.000 0.000 0.000) 0.000 13.051 ( 0.000 0.000 0.000) 0.000 13.475 ( 0.000 0.000 -0.000) 0.000 13.736 ( 0.000 0.000 0.000) 0.000 13.919 ( 0.000 0.000 0.000) 0.000 14.120 ( 0.000 0.000 -0.000) 0.000 14.380 ( 0.000 0.000 0.000) 0.000 15.371 ( 0.000 0.000 0.000) 0.000 16.018 ( 0.000 0.000 0.000) 0.000 17.028 ( 0.000 0.000 -0.000) 0.000 17.188 ( 0.000 0.000 0.000) 0.000 17.527 ( 0.000 0.000 -0.000) 0.000 18.249 ( 0.000 0.000 0.000) 0.000 18.931 ( 0.000 0.000 -0.000) 0.000 19.867 ( 0.000 0.000 0.000) 0.000 20.206 ( 0.000 0.000 -0.000) 0.000 21.644 ( -0.000 0.000 0.000) 0.000 21.797 ( 0.000 0.000 -0.000) 0.000 25.011 ( 0.000 0.000 0.000) 0.000 25.916 ( 0.000 0.000 0.000) 0.000 26.736 ( 0.000 0.000 -0.000) 0.000 27.026 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 7 (5/140) ======================= q-point: ( 0.00 0.08 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.473 ( 0.000 32.131 0.000) 32.131 0.777 ( 0.000 37.842 0.000) 37.842 1.554 ( 0.000 70.715 0.000) 70.715 2.042 ( 0.000 -8.654 0.000) 8.654 2.226 ( 0.000 1.008 0.000) 1.008 3.083 ( 0.000 7.450 0.000) 7.450 3.094 ( 0.000 -10.163 0.000) 10.163 3.346 ( 0.000 4.958 0.000) 4.958 3.490 ( 0.000 -1.012 0.000) 1.012 3.620 ( 0.000 9.106 0.000) 9.106 3.686 ( 0.000 14.888 0.000) 14.888 4.079 ( 0.000 -2.788 0.000) 2.788 4.313 ( 0.000 -3.167 0.000) 3.167 4.460 ( 0.000 1.350 0.000) 1.350 4.594 ( 0.000 6.319 0.000) 6.319 4.868 ( 0.000 15.615 0.000) 15.615 5.005 ( 0.000 8.277 0.000) 8.277 5.219 ( 0.000 17.897 0.000) 17.897 5.630 ( 0.000 0.578 0.000) 0.578 5.785 ( 0.000 5.185 0.000) 5.185 5.845 ( 0.000 14.716 0.000) 14.716 6.058 ( 0.000 16.120 0.000) 16.120 6.185 ( 0.000 -0.138 0.000) 0.138 6.389 ( 0.000 4.136 0.000) 4.136 6.453 ( 0.000 2.089 0.000) 2.089 6.679 ( 0.000 -10.220 0.000) 10.220 6.835 ( 0.000 -2.702 0.000) 2.702 6.861 ( 0.000 6.747 0.000) 6.747 7.263 ( 0.000 4.032 0.000) 4.032 7.465 ( 0.000 6.162 0.000) 6.162 7.502 ( 0.000 -0.227 0.000) 0.227 7.517 ( 0.000 8.718 0.000) 8.718 8.038 ( 0.000 -7.083 0.000) 7.083 8.198 ( 0.000 7.543 0.000) 7.543 8.307 ( 0.000 6.951 0.000) 6.951 8.318 ( 0.000 13.021 0.000) 13.021 8.490 ( 0.000 10.080 0.000) 10.080 8.715 ( 0.000 9.424 0.000) 9.424 8.795 ( 0.000 19.113 0.000) 19.113 9.156 ( 0.000 4.463 0.000) 4.463 9.333 ( 0.000 7.797 0.000) 7.797 9.388 ( 0.000 7.665 0.000) 7.665 9.494 ( 0.000 3.534 0.000) 3.534 9.880 ( 0.000 13.315 0.000) 13.315 10.195 ( 0.000 1.318 0.000) 1.318 10.369 ( 0.000 10.800 0.000) 10.800 11.201 ( 0.000 -1.249 0.000) 1.249 11.212 ( 0.000 -5.127 0.000) 5.127 11.462 ( 0.000 -4.742 0.000) 4.742 11.920 ( 0.000 -8.760 0.000) 8.760 12.953 ( 0.000 -4.196 0.000) 4.196 13.416 ( 0.000 -4.532 0.000) 4.532 13.804 ( 0.000 -6.052 0.000) 6.052 13.826 ( 0.000 -13.340 0.000) 13.340 14.284 ( 0.000 -9.593 0.000) 9.593 14.561 ( 0.000 32.627 0.000) 32.627 15.218 ( 0.000 13.405 0.000) 13.405 15.823 ( 0.000 -35.277 0.000) 35.277 16.026 ( 0.000 -17.778 0.000) 17.778 16.961 ( 0.000 1.314 0.000) 1.314 17.369 ( 0.000 25.654 0.000) 25.654 18.361 ( 0.000 10.859 0.000) 10.859 19.343 ( 0.000 26.774 0.000) 26.774 19.825 ( 0.000 12.549 0.000) 12.549 20.213 ( 0.000 2.138 0.000) 2.138 21.174 ( 0.000 6.653 0.000) 6.653 21.897 ( 0.000 2.817 0.000) 2.817 23.603 ( 0.000 -6.423 0.000) 6.423 24.216 ( 0.000 -2.177 0.000) 2.177 24.889 ( 0.000 1.932 0.000) 1.932 26.122 ( 0.000 -2.652 0.000) 2.652 26.801 ( 0.000 -3.708 0.000) 3.708 ======================= Grid point 8 (6/140) ======================= q-point: ( 0.17 0.08 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( 26.442 17.267 5.137) 31.996 0.999 ( 23.549 24.210 -3.616) 33.967 1.811 ( 19.104 48.764 12.154) 53.765 1.966 ( -5.792 3.612 7.342) 10.025 2.296 ( 5.987 -1.346 -1.619) 6.347 3.087 ( 0.380 -10.433 -4.002) 11.181 3.108 ( 2.202 9.817 -0.764) 10.090 3.309 ( -3.738 3.032 2.978) 5.660 3.416 ( -7.404 2.231 3.331) 8.420 3.604 ( 1.085 9.114 -1.509) 9.301 3.735 ( 3.277 11.290 -2.324) 11.983 4.047 ( -3.121 -0.266 -0.534) 3.178 4.278 ( -4.078 -1.965 2.802) 5.324 4.416 ( -1.623 3.103 -12.071) 12.569 4.565 ( -0.121 4.772 -7.462) 8.858 4.864 ( -0.850 16.460 0.524) 16.490 4.966 ( -6.065 4.181 17.950) 19.403 5.222 ( -1.201 17.739 2.535) 17.959 5.750 ( 1.540 2.411 -4.931) 5.701 5.780 ( 5.105 2.934 6.056) 8.446 5.845 ( 2.033 10.038 -0.248) 10.245 6.040 ( -3.708 11.345 4.808) 12.867 6.265 ( 2.386 3.139 7.478) 8.454 6.373 ( 0.417 0.091 -1.637) 1.692 6.485 ( 2.756 2.043 0.481) 3.464 6.666 ( 0.029 -2.103 -4.378) 4.857 6.791 ( -2.998 -3.204 0.713) 4.446 6.863 ( 2.351 2.090 -13.907) 14.259 7.248 ( -0.794 3.588 3.314) 4.948 7.428 ( -1.527 3.164 -7.327) 8.126 7.499 ( -1.885 5.057 2.581) 5.983 7.528 ( -0.137 3.625 2.851) 4.614 7.997 ( -5.176 -3.501 1.760) 6.492 8.191 ( -2.741 4.732 -0.263) 5.475 8.245 ( -1.147 16.894 3.614) 17.314 8.411 ( 4.555 6.304 4.800) 9.139 8.496 ( 0.922 9.439 3.569) 10.133 8.742 ( 2.532 8.486 -2.750) 9.273 8.790 ( -0.229 19.428 -1.397) 19.479 9.139 ( -0.587 9.581 -5.940) 11.289 9.207 ( -10.999 8.242 17.311) 22.104 9.395 ( -1.420 8.078 2.810) 8.670 9.518 ( 2.963 6.496 -11.961) 13.930 9.886 ( 0.919 12.392 -1.396) 12.504 10.141 ( -4.130 2.843 -2.864) 5.774 10.345 ( 0.401 7.650 -7.006) 10.381 11.196 ( -2.489 -2.070 10.670) 11.151 11.219 ( 2.506 -5.125 -10.773) 12.190 11.447 ( -0.685 -4.548 -1.264) 4.770 11.989 ( 5.811 -9.170 1.612) 10.976 12.948 ( -0.337 -3.991 0.199) 4.010 13.420 ( 0.066 -4.366 1.422) 4.592 13.770 ( -5.118 -11.761 2.555) 13.078 13.812 ( 0.756 -6.998 -3.606) 7.908 14.284 ( 0.127 -9.398 -0.688) 9.424 14.562 ( 0.224 32.005 -0.825) 32.016 15.141 ( -9.892 32.548 0.899) 34.030 15.771 ( -8.730 -27.488 1.010) 28.858 15.835 ( -15.884 6.171 6.447) 18.219 16.921 ( -3.641 -6.291 -4.472) 8.535 17.337 ( -1.158 26.550 -3.935) 26.865 18.368 ( -0.269 10.027 0.003) 10.030 18.933 ( -71.940 90.079 -30.731) 119.307 19.576 ( -0.869 29.210 -64.026) 70.380 20.052 ( -27.346 34.452 24.141) 50.175 20.262 ( -10.085 17.115 16.831) 26.037 21.774 ( -16.398 13.278 10.955) 23.774 21.908 ( -2.418 7.414 -6.767) 10.325 24.896 ( 3.656 -0.545 0.178) 3.701 25.740 ( 13.786 -34.818 18.416) 41.731 26.300 ( 19.869 -13.577 3.155) 24.271 26.848 ( 3.923 -3.912 1.422) 5.720 ======================= Grid point 9 (7/140) ======================= q-point: ( 0.33 0.08 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( 19.160 15.053 -7.618) 25.529 1.522 ( 21.641 15.816 2.187) 26.894 1.832 ( -6.320 7.139 11.829) 15.193 2.191 ( 5.096 12.126 5.146) 14.124 2.473 ( 9.832 3.946 5.714) 12.037 3.093 ( 3.058 -5.386 -1.611) 6.400 3.172 ( 5.588 12.633 -1.036) 13.852 3.253 ( -0.749 2.915 -0.032) 3.009 3.318 ( -3.656 0.696 2.800) 4.657 3.637 ( 2.405 7.356 1.420) 7.869 3.772 ( 0.956 7.576 -2.853) 8.151 3.925 ( -7.631 5.915 -6.737) 11.773 4.217 ( -1.423 -0.538 1.081) 1.866 4.361 ( 0.133 4.533 -6.486) 7.914 4.548 ( 0.802 3.031 -4.699) 5.649 4.835 ( -4.185 14.440 5.805) 16.116 4.895 ( -6.658 5.014 6.989) 10.877 5.180 ( -3.860 13.249 2.724) 14.066 5.694 ( -2.224 0.964 -0.614) 2.500 5.787 ( -4.936 14.549 0.058) 15.363 5.963 ( 0.150 5.967 12.697) 14.030 6.032 ( 6.094 7.843 -7.321) 12.338 6.253 ( -1.382 10.662 -0.956) 10.794 6.406 ( 2.104 -5.276 -1.137) 5.792 6.537 ( 1.486 1.641 1.050) 2.450 6.634 ( -2.429 6.676 -2.024) 7.387 6.767 ( -2.269 -13.362 1.422) 13.628 6.895 ( 9.810 3.870 -11.637) 15.705 7.260 ( -0.890 1.599 1.949) 2.674 7.374 ( -1.294 4.713 0.337) 4.900 7.463 ( -1.810 8.027 -3.384) 8.897 7.506 ( -3.325 -1.116 5.144) 6.226 7.866 ( -7.592 -0.750 4.055) 8.639 8.134 ( -1.594 8.902 -1.103) 9.111 8.276 ( 1.042 17.539 3.716) 17.958 8.474 ( 0.898 10.622 2.733) 11.005 8.552 ( 1.265 6.205 3.348) 7.163 8.776 ( 0.695 18.387 -6.104) 19.386 8.783 ( 1.173 9.229 3.216) 9.843 9.076 ( -4.209 10.096 7.265) 13.131 9.158 ( 2.179 7.940 -4.237) 9.260 9.343 ( -5.693 6.897 6.461) 11.033 9.526 ( 3.389 7.377 -11.454) 14.039 9.903 ( 1.440 10.549 -1.862) 10.809 10.057 ( -3.300 0.992 -0.824) 3.543 10.344 ( 1.631 3.996 -5.099) 6.681 11.192 ( -1.784 -3.179 7.892) 8.693 11.217 ( 1.225 -5.184 -7.698) 9.361 11.438 ( 0.243 -4.193 -1.072) 4.334 12.116 ( 5.435 -10.125 1.481) 11.586 12.947 ( 0.144 -3.638 0.291) 3.652 13.429 ( 0.116 -4.136 1.548) 4.417 13.663 ( -5.244 -11.268 -0.507) 12.439 13.815 ( 0.421 -6.163 -0.826) 6.232 14.284 ( 0.198 -9.124 -0.697) 9.153 14.562 ( 0.149 31.013 -0.955) 31.028 14.810 ( -18.819 95.293 0.326) 97.134 15.516 ( -7.099 11.100 0.612) 13.190 15.723 ( -3.765 -27.543 1.668) 27.849 16.815 ( -3.059 -25.066 -6.888) 26.175 17.350 ( 4.274 24.292 -2.728) 24.816 17.821 ( -22.446 52.917 -18.498) 60.384 18.412 ( 0.524 18.364 0.861) 18.392 19.570 ( 6.043 34.943 -12.260) 37.521 19.904 ( -6.381 10.064 15.226) 19.334 20.251 ( -0.124 6.964 3.250) 7.686 21.676 ( -0.881 4.397 -1.375) 4.691 21.871 ( -1.551 5.190 0.424) 5.433 24.976 ( 3.765 0.399 0.852) 3.881 25.778 ( -4.653 -17.651 7.309) 19.663 26.585 ( 7.899 -11.530 -0.686) 13.993 26.935 ( 3.300 -4.428 3.126) 6.346 ======================= Grid point 10 (8/140) ======================= q-point: (-0.50 0.08 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( 0.000 10.564 -0.000) 10.564 1.609 ( -0.000 -0.543 0.000) 0.543 1.910 ( 0.000 47.032 0.000) 47.032 2.189 ( 0.000 -9.134 0.000) 9.134 2.545 ( 0.000 -8.909 0.000) 8.909 3.122 ( 0.000 -9.603 -0.000) 9.603 3.253 ( -0.000 -7.859 0.000) 7.859 3.264 ( 0.000 7.829 0.000) 7.829 3.361 ( 0.000 21.305 0.000) 21.305 3.665 ( 0.000 1.956 0.000) 1.956 3.763 ( 0.000 8.843 0.000) 8.843 3.805 ( -0.000 9.840 -0.000) 9.840 4.213 ( 0.000 0.037 0.000) 0.037 4.356 ( 0.000 7.420 -0.000) 7.420 4.550 ( 0.000 1.573 0.000) 1.573 4.743 ( 0.000 13.938 0.000) 13.938 4.854 ( 0.000 10.966 -0.000) 10.966 5.137 ( 0.000 8.810 -0.000) 8.810 5.677 ( 0.000 -2.204 -0.000) 2.204 5.716 ( 0.000 17.701 0.000) 17.701 6.005 ( 0.000 15.024 -0.000) 15.024 6.064 ( 0.000 2.976 -0.000) 2.976 6.254 ( 0.000 10.214 -0.000) 10.214 6.431 ( 0.000 -4.408 0.000) 4.408 6.558 ( 0.000 3.374 0.000) 3.374 6.586 ( 0.000 6.617 -0.000) 6.617 6.735 ( 0.000 -14.971 0.000) 14.971 7.039 ( -0.000 2.359 0.000) 2.359 7.206 ( 0.000 0.833 0.000) 0.833 7.400 ( -0.000 3.655 -0.000) 3.655 7.402 ( 0.000 15.065 0.000) 15.065 7.480 ( 0.000 -4.496 -0.000) 4.496 7.795 ( -0.000 -2.009 0.000) 2.009 8.118 ( 0.000 11.033 0.000) 11.033 8.295 ( 0.000 18.245 0.000) 18.245 8.488 ( 0.000 11.131 -0.000) 11.131 8.564 ( 0.000 8.016 0.000) 8.016 8.767 ( -0.000 21.036 0.000) 21.036 8.803 ( 0.000 8.273 -0.000) 8.273 9.054 ( 0.000 4.054 0.000) 4.054 9.201 ( 0.000 10.883 -0.000) 10.883 9.272 ( -0.000 4.074 -0.000) 4.074 9.541 ( 0.000 6.503 0.000) 6.503 9.918 ( 0.000 9.525 0.000) 9.525 10.018 ( 0.000 0.161 0.000) 0.161 10.352 ( 0.000 2.977 0.000) 2.977 11.191 ( 0.000 -4.023 -0.000) 4.023 11.211 ( -0.000 -4.833 0.000) 4.833 11.440 ( 0.000 -4.055 0.000) 4.055 12.177 ( 0.000 -10.696 0.000) 10.696 12.950 ( 0.000 -3.477 0.000) 3.477 13.434 ( 0.000 -4.087 -0.000) 4.087 13.603 ( 0.000 -10.580 0.000) 10.580 13.818 ( 0.000 -6.098 0.000) 6.098 14.285 ( 0.000 -8.992 0.000) 8.992 14.561 ( 0.000 30.672 -0.000) 30.672 14.615 ( 0.000 107.496 0.000) 107.496 15.462 ( 0.000 6.411 -0.000) 6.411 15.687 ( 0.000 -28.169 0.000) 28.169 16.772 ( 0.000 -33.036 0.000) 33.036 17.439 ( 0.000 19.290 0.000) 19.290 17.552 ( -0.000 40.470 -0.000) 40.470 18.421 ( 0.000 17.276 0.000) 17.276 19.614 ( 0.000 43.484 -0.000) 43.484 19.869 ( 0.000 0.254 0.000) 0.254 20.258 ( 0.000 6.942 -0.000) 6.942 21.669 ( -0.000 2.972 0.000) 2.972 21.855 ( 0.000 5.645 -0.000) 5.645 25.020 ( 0.000 0.833 0.000) 0.833 25.738 ( 0.000 -15.869 0.000) 15.869 26.654 ( 0.000 -8.130 -0.000) 8.130 26.977 ( 0.000 -4.669 0.000) 4.669 ======================= Grid point 14 (9/140) ======================= q-point: ( 0.00 0.15 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( 0.000 42.118 0.000) 42.118 1.472 ( 0.000 26.047 0.000) 26.047 1.970 ( 0.000 6.423 0.000) 6.423 2.111 ( 0.000 -1.424 0.000) 1.424 2.837 ( 0.000 20.566 0.000) 20.566 3.053 ( 0.000 -4.624 0.000) 4.624 3.105 ( 0.000 32.931 0.000) 32.931 3.471 ( 0.000 1.362 0.000) 1.362 3.626 ( 0.000 15.246 0.000) 15.246 3.780 ( 0.000 6.535 0.000) 6.535 3.951 ( 0.000 1.820 0.000) 1.820 4.068 ( 0.000 11.777 0.000) 11.777 4.334 ( 0.000 3.602 0.000) 3.602 4.529 ( 0.000 4.630 0.000) 4.630 4.743 ( 0.000 8.080 0.000) 8.080 5.016 ( 0.000 4.743 0.000) 4.743 5.358 ( 0.000 17.748 0.000) 17.748 5.567 ( 0.000 9.639 0.000) 9.639 5.715 ( 0.000 10.478 0.000) 10.478 5.901 ( 0.000 8.201 0.000) 8.201 5.958 ( 0.000 -1.499 0.000) 1.499 6.255 ( 0.000 -5.770 0.000) 5.770 6.394 ( 0.000 12.897 0.000) 12.897 6.417 ( 0.000 -4.093 0.000) 4.093 6.499 ( 0.000 6.932 0.000) 6.932 6.598 ( 0.000 14.886 0.000) 14.886 6.836 ( 0.000 0.291 0.000) 0.291 7.060 ( 0.000 11.297 0.000) 11.297 7.344 ( 0.000 3.521 0.000) 3.521 7.419 ( 0.000 -8.106 0.000) 8.106 7.554 ( 0.000 3.908 0.000) 3.908 7.808 ( 0.000 15.516 0.000) 15.516 7.978 ( 0.000 4.349 0.000) 4.349 8.216 ( 0.000 0.047 0.000) 0.047 8.474 ( 0.000 8.879 0.000) 8.879 8.768 ( 0.000 21.752 0.000) 21.752 8.821 ( 0.000 18.084 0.000) 18.084 9.084 ( 0.000 27.940 0.000) 27.940 9.268 ( 0.000 24.547 0.000) 24.547 9.311 ( 0.000 12.271 0.000) 12.271 9.524 ( 0.000 4.188 0.000) 4.188 9.722 ( 0.000 35.338 0.000) 35.338 9.726 ( 0.000 22.511 0.000) 22.511 10.203 ( 0.000 1.084 0.000) 1.084 10.250 ( 0.000 21.835 0.000) 21.835 10.728 ( 0.000 22.087 0.000) 22.087 11.129 ( 0.000 -1.965 0.000) 1.965 11.170 ( 0.000 -1.425 0.000) 1.425 11.385 ( 0.000 -0.437 0.000) 0.437 11.764 ( 0.000 -5.604 0.000) 5.604 12.864 ( 0.000 -3.550 0.000) 3.550 13.284 ( 0.000 -8.448 0.000) 8.448 13.547 ( 0.000 -13.660 0.000) 13.660 13.645 ( 0.000 -9.945 0.000) 9.945 14.024 ( 0.000 -15.483 0.000) 15.483 14.933 ( 0.000 -31.543 0.000) 31.543 14.988 ( 0.000 -10.747 0.000) 10.747 15.330 ( 0.000 -2.913 0.000) 2.913 16.156 ( 0.000 31.305 0.000) 31.305 17.184 ( 0.000 20.158 0.000) 20.158 17.875 ( 0.000 22.267 0.000) 22.267 18.566 ( 0.000 8.027 0.000) 8.027 19.586 ( 0.000 2.579 0.000) 2.579 20.255 ( 0.000 1.403 0.000) 1.403 20.436 ( 0.000 38.790 0.000) 38.790 21.379 ( 0.000 13.496 0.000) 13.496 22.002 ( 0.000 7.743 0.000) 7.743 23.421 ( 0.000 -11.263 0.000) 11.263 24.165 ( 0.000 -2.526 0.000) 2.526 24.918 ( 0.000 0.333 0.000) 0.333 26.034 ( 0.000 -6.034 0.000) 6.034 26.693 ( 0.000 -6.882 0.000) 6.882 ======================= Grid point 15 (10/140) ======================= q-point: ( 0.17 0.15 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( 12.083 28.287 2.471) 30.858 1.529 ( 5.942 19.966 -4.948) 21.411 1.973 ( -0.501 12.689 12.491) 17.812 2.166 ( 4.449 -3.433 -2.382) 6.103 2.919 ( 3.628 1.099 0.225) 3.797 3.034 ( 0.929 13.055 3.977) 13.679 3.175 ( 5.790 31.445 -2.811) 32.097 3.429 ( -5.406 2.764 5.744) 8.359 3.586 ( -2.400 14.035 -3.296) 14.615 3.778 ( 1.521 6.985 -5.750) 9.174 3.956 ( -1.746 8.357 -2.285) 8.838 4.043 ( -0.302 2.677 2.156) 3.450 4.323 ( -0.105 4.877 -1.092) 4.999 4.526 ( 0.080 6.852 -5.928) 9.061 4.704 ( -1.407 9.572 -8.626) 12.962 5.017 ( -1.386 5.242 10.956) 12.224 5.246 ( -8.565 14.422 7.901) 18.541 5.597 ( -4.509 15.191 1.354) 15.904 5.798 ( 2.100 2.321 -3.783) 4.910 5.817 ( 1.637 4.950 2.259) 5.682 5.985 ( 2.891 0.577 -0.450) 2.982 6.247 ( -0.917 -0.221 -1.048) 1.410 6.403 ( -0.217 7.522 2.401) 7.899 6.453 ( 2.680 -1.472 -0.698) 3.136 6.528 ( 2.858 11.931 3.390) 12.728 6.646 ( 4.059 11.206 -2.767) 12.236 6.822 ( -0.784 1.731 -2.001) 2.759 7.050 ( 0.080 13.065 -6.886) 14.769 7.314 ( -2.019 2.640 2.059) 3.910 7.380 ( -2.777 -8.443 -2.245) 9.167 7.547 ( -0.768 4.854 -0.897) 4.996 7.786 ( -0.986 14.177 -5.350) 15.185 7.987 ( -1.848 5.201 9.131) 10.669 8.264 ( 3.904 1.819 -1.528) 4.570 8.441 ( -2.130 8.599 2.800) 9.291 8.767 ( -0.047 20.797 2.252) 20.919 8.865 ( 2.955 20.343 2.437) 20.701 9.089 ( 0.501 26.701 -0.807) 26.718 9.264 ( -0.187 24.332 -0.824) 24.347 9.310 ( -0.333 11.233 1.523) 11.341 9.438 ( -6.705 11.455 3.710) 13.781 9.689 ( -1.768 23.345 -4.113) 23.770 9.792 ( 2.417 28.200 4.407) 28.645 10.174 ( -1.358 3.493 -5.886) 6.978 10.254 ( -0.542 20.490 3.114) 20.732 10.669 ( -3.611 22.012 -6.658) 23.279 11.130 ( 1.386 -2.771 -7.786) 8.380 11.152 ( -3.107 -1.617 8.182) 8.900 11.376 ( -0.302 -0.294 -1.261) 1.330 11.822 ( 4.884 -6.257 1.452) 8.069 12.860 ( -0.087 -3.652 -0.450) 3.681 13.291 ( 0.229 -8.374 1.600) 8.529 13.507 ( -3.643 -12.994 -0.502) 13.505 13.650 ( 0.441 -9.891 -0.259) 9.904 14.025 ( 0.177 -15.512 -0.404) 15.518 14.902 ( -2.536 -26.731 -1.701) 26.905 15.008 ( 2.066 -14.041 0.372) 14.197 15.337 ( 0.131 -3.918 1.507) 4.200 16.181 ( 1.555 33.918 5.334) 34.370 17.093 ( -9.055 20.616 -2.314) 22.635 17.856 ( -1.035 22.656 -1.296) 22.716 18.559 ( -1.208 7.584 -0.758) 7.717 19.642 ( 2.831 3.194 11.628) 12.387 20.231 ( -1.108 2.184 -6.370) 6.824 20.310 ( -13.668 46.664 -22.565) 53.605 21.108 ( -27.159 31.547 -10.067) 42.827 21.972 ( -7.389 9.017 12.741) 17.269 22.290 ( -39.583 21.924 -12.810) 47.027 24.829 ( 13.674 -8.891 -2.050) 16.439 25.134 ( 19.343 -18.900 16.857) 31.867 26.107 ( 8.215 -8.994 1.195) 12.240 26.733 ( 3.611 -7.243 0.315) 8.099 ======================= Grid point 16 (11/140) ======================= q-point: ( 0.33 0.15 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( 3.695 2.903 -4.067) 6.215 1.705 ( 13.522 16.942 4.455) 22.130 2.089 ( 7.609 19.312 8.860) 22.569 2.246 ( 5.569 -4.710 -1.977) 7.557 2.903 ( -3.097 0.555 -3.247) 4.521 3.065 ( -4.947 11.473 8.498) 15.110 3.202 ( -3.489 20.195 -2.649) 20.665 3.349 ( -2.875 1.875 6.231) 7.114 3.575 ( 2.516 11.368 1.592) 11.752 3.793 ( 0.560 4.698 -13.154) 13.979 3.925 ( 3.210 11.242 -0.618) 11.708 4.043 ( -0.549 4.525 -2.058) 5.001 4.346 ( 1.324 12.847 1.081) 12.960 4.505 ( 4.072 9.722 -9.278) 14.042 4.671 ( -0.093 9.418 -2.852) 9.841 5.053 ( 0.771 9.475 9.863) 13.698 5.120 ( -7.691 11.962 8.236) 16.434 5.433 ( -11.058 10.131 0.310) 15.000 5.702 ( -2.671 2.195 -0.821) 3.553 6.003 ( 8.277 -0.597 -3.500) 9.007 6.068 ( 3.935 4.563 7.439) 9.573 6.199 ( -3.375 6.902 -1.945) 7.926 6.396 ( -0.494 1.053 -0.269) 1.194 6.482 ( -1.686 6.391 1.218) 6.721 6.588 ( 2.304 9.533 2.049) 10.019 6.689 ( 1.630 9.196 -4.844) 10.521 6.798 ( -1.001 5.389 -2.305) 5.946 7.060 ( 6.647 12.267 -10.057) 17.199 7.275 ( -4.144 -1.079 3.930) 5.812 7.349 ( 0.273 -4.847 0.897) 4.936 7.532 ( -0.009 6.649 -0.735) 6.689 7.739 ( -0.681 13.137 -7.693) 15.239 7.928 ( -7.556 7.400 8.729) 13.713 8.325 ( 2.437 9.786 2.052) 10.292 8.464 ( 2.589 2.316 1.114) 3.648 8.783 ( 0.308 18.614 3.058) 18.866 8.920 ( 1.338 26.091 1.055) 26.146 9.100 ( 1.078 24.082 0.136) 24.106 9.254 ( -0.635 19.523 -0.112) 19.534 9.290 ( -3.081 14.153 2.270) 14.661 9.377 ( -0.000 13.324 3.348) 13.738 9.620 ( -3.567 22.543 -2.662) 22.978 9.818 ( -0.714 27.873 1.518) 27.923 10.118 ( -1.638 5.343 -4.917) 7.444 10.251 ( -0.600 21.247 1.727) 21.326 10.586 ( -1.428 19.821 -6.339) 20.858 11.108 ( 0.278 -4.260 -7.429) 8.568 11.138 ( -2.026 -1.576 7.841) 8.250 11.370 ( 0.159 -0.805 -1.068) 1.347 11.927 ( 4.428 -7.457 1.240) 8.761 12.861 ( 0.344 -3.875 -0.352) 3.906 13.302 ( 0.159 -8.307 1.701) 8.481 13.425 ( -3.737 -11.403 -0.818) 12.028 13.658 ( 0.412 -9.720 -0.064) 9.728 14.028 ( 0.230 -15.568 -0.453) 15.576 14.841 ( -2.412 -25.214 -1.464) 25.371 15.064 ( 3.026 -12.815 0.726) 13.187 15.338 ( -0.593 -5.755 0.715) 5.829 16.268 ( 4.482 40.828 9.685) 42.199 16.824 ( -15.502 24.624 -6.408) 29.794 17.853 ( 1.600 22.220 -1.135) 22.306 18.475 ( -6.566 10.775 -5.055) 13.593 19.599 ( -27.914 67.215 4.670) 72.930 19.819 ( 4.259 12.623 -16.815) 21.453 20.165 ( -2.422 4.358 -7.963) 9.395 20.751 ( -6.892 35.877 5.608) 36.961 21.830 ( -5.820 11.158 6.773) 14.292 22.037 ( -0.741 10.834 -5.505) 12.175 24.975 ( 5.810 -1.134 -1.564) 6.123 25.359 ( 0.320 -20.960 8.659) 22.680 26.313 ( 9.229 -14.999 1.099) 17.645 26.808 ( 3.183 -7.954 0.715) 8.597 ======================= Grid point 17 (12/140) ======================= q-point: (-0.50 0.15 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( 0.000 0.598 -0.000) 0.598 1.857 ( 0.000 13.456 0.000) 13.456 2.201 ( 0.000 9.962 0.000) 9.962 2.387 ( 0.000 -5.000 0.000) 5.000 2.779 ( 0.000 26.433 0.000) 26.433 2.988 ( 0.000 1.919 -0.000) 1.919 3.174 ( 0.000 2.801 0.000) 2.801 3.336 ( 0.000 2.335 0.000) 2.335 3.675 ( 0.000 0.534 0.000) 0.534 3.677 ( -0.000 8.755 -0.000) 8.755 3.989 ( 0.000 7.367 0.000) 7.367 4.038 ( 0.000 13.067 0.000) 13.067 4.350 ( 0.000 15.288 0.000) 15.288 4.606 ( 0.000 17.667 -0.000) 17.667 4.633 ( -0.000 5.962 0.000) 5.962 5.042 ( 0.000 9.036 -0.000) 9.036 5.120 ( 0.000 18.168 -0.000) 18.168 5.271 ( 0.000 3.849 0.000) 3.849 5.678 ( 0.000 3.399 -0.000) 3.399 6.105 ( -0.000 -8.824 0.000) 8.824 6.122 ( 0.000 17.086 -0.000) 17.086 6.138 ( 0.000 4.765 0.000) 4.765 6.390 ( 0.000 -0.802 0.000) 0.802 6.439 ( 0.000 8.222 0.000) 8.222 6.646 ( -0.000 3.816 -0.000) 3.816 6.669 ( 0.000 10.164 0.000) 10.164 6.779 ( 0.000 10.639 -0.000) 10.639 7.185 ( -0.000 13.015 0.000) 13.015 7.189 ( 0.000 -4.120 -0.000) 4.120 7.357 ( 0.000 -3.355 0.000) 3.355 7.534 ( 0.000 6.518 -0.000) 6.518 7.715 ( 0.000 13.837 0.000) 13.837 7.849 ( 0.000 7.554 0.000) 7.554 8.359 ( 0.000 14.045 -0.000) 14.045 8.497 ( 0.000 -0.880 0.000) 0.880 8.794 ( 0.000 16.912 0.000) 16.912 8.930 ( 0.000 29.973 0.000) 29.973 9.117 ( 0.000 22.091 0.000) 22.091 9.250 ( 0.000 19.488 -0.000) 19.488 9.253 ( 0.000 14.966 0.000) 14.966 9.402 ( 0.000 9.441 -0.000) 9.441 9.564 ( 0.000 25.448 0.000) 25.448 9.808 ( 0.000 27.625 -0.000) 27.625 10.090 ( 0.000 6.053 0.000) 6.053 10.249 ( 0.000 21.634 0.000) 21.634 10.562 ( 0.000 18.242 0.000) 18.242 11.096 ( 0.000 -4.290 -0.000) 4.290 11.133 ( -0.000 -2.079 0.000) 2.079 11.370 ( 0.000 -1.252 0.000) 1.252 11.977 ( 0.000 -8.095 0.000) 8.095 12.865 ( 0.000 -3.988 0.000) 3.988 13.308 ( 0.000 -8.330 -0.000) 8.330 13.382 ( 0.000 -10.429 0.000) 10.429 13.662 ( 0.000 -9.628 -0.000) 9.628 14.029 ( 0.000 -15.585 0.000) 15.585 14.813 ( 0.000 -25.361 0.000) 25.361 15.103 ( 0.000 -11.316 0.000) 11.316 15.330 ( 0.000 -6.830 -0.000) 6.830 16.400 ( -0.000 56.316 -0.000) 56.316 16.569 ( 0.000 17.329 0.000) 17.329 17.882 ( 0.000 20.582 -0.000) 20.582 18.359 ( 0.000 19.346 -0.000) 19.346 19.313 ( 0.000 72.849 0.000) 72.849 19.885 ( 0.000 2.110 0.000) 2.110 20.108 ( 0.000 6.122 -0.000) 6.122 20.710 ( 0.000 34.130 -0.000) 34.130 21.794 ( 0.000 10.058 0.000) 10.058 22.022 ( 0.000 10.505 -0.000) 10.505 25.037 ( 0.000 0.549 0.000) 0.549 25.359 ( 0.000 -19.762 0.000) 19.762 26.409 ( 0.000 -15.694 -0.000) 15.694 26.843 ( 0.000 -8.330 0.000) 8.330 ======================= Grid point 21 (13/140) ======================= q-point: ( 0.00 0.23 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( 0.000 1.792 0.000) 1.792 2.068 ( 0.000 -2.147 0.000) 2.147 2.151 ( 0.000 43.374 0.000) 43.374 2.409 ( 0.000 28.421 0.000) 28.421 2.957 ( 0.000 5.226 0.000) 5.226 2.982 ( 0.000 -1.588 0.000) 1.588 3.442 ( 0.000 2.215 0.000) 2.215 3.822 ( 0.000 3.571 0.000) 3.571 3.904 ( 0.000 -2.713 0.000) 2.713 3.942 ( 0.000 25.398 0.000) 25.398 3.950 ( 0.000 11.279 0.000) 11.279 4.367 ( 0.000 6.035 0.000) 6.035 4.569 ( 0.000 28.842 0.000) 28.842 4.618 ( 0.000 3.868 0.000) 3.868 4.892 ( 0.000 5.613 0.000) 5.613 5.095 ( 0.000 1.264 0.000) 1.264 5.477 ( 0.000 -5.208 0.000) 5.208 5.659 ( 0.000 1.898 0.000) 1.898 5.925 ( 0.000 9.168 0.000) 9.168 6.023 ( 0.000 10.379 0.000) 10.379 6.095 ( 0.000 7.931 0.000) 7.931 6.185 ( 0.000 0.663 0.000) 0.663 6.287 ( 0.000 -6.847 0.000) 6.847 6.540 ( 0.000 3.162 0.000) 3.162 6.676 ( 0.000 8.736 0.000) 8.736 6.824 ( 0.000 -0.406 0.000) 0.406 6.990 ( 0.000 16.711 0.000) 16.711 7.155 ( 0.000 -3.999 0.000) 3.999 7.298 ( 0.000 -0.194 0.000) 0.194 7.490 ( 0.000 11.716 0.000) 11.716 7.625 ( 0.000 3.049 0.000) 3.049 8.062 ( 0.000 8.068 0.000) 8.068 8.185 ( 0.000 13.440 0.000) 13.440 8.277 ( 0.000 8.036 0.000) 8.036 8.677 ( 0.000 10.871 0.000) 10.871 9.064 ( 0.000 9.967 0.000) 9.967 9.142 ( 0.000 16.030 0.000) 16.030 9.591 ( 0.000 14.777 0.000) 14.777 9.602 ( 0.000 16.072 0.000) 16.072 9.620 ( 0.000 6.834 0.000) 6.834 9.957 ( 0.000 38.352 0.000) 38.352 10.220 ( 0.000 11.797 0.000) 11.797 10.515 ( 0.000 42.005 0.000) 42.005 10.576 ( 0.000 36.103 0.000) 36.103 10.749 ( 0.000 31.638 0.000) 31.638 10.971 ( 0.000 -1.318 0.000) 1.318 11.149 ( 0.000 4.629 0.000) 4.629 11.343 ( 0.000 19.924 0.000) 19.924 11.533 ( 0.000 15.930 0.000) 15.930 11.744 ( 0.000 5.357 0.000) 5.357 12.875 ( 0.000 7.404 0.000) 7.404 13.084 ( 0.000 -10.641 0.000) 10.641 13.276 ( 0.000 -12.748 0.000) 12.748 13.403 ( 0.000 -12.990 0.000) 12.990 13.679 ( 0.000 -18.034 0.000) 18.034 14.193 ( 0.000 -28.602 0.000) 28.602 14.847 ( 0.000 -8.426 0.000) 8.426 15.185 ( 0.000 -9.281 0.000) 9.281 16.946 ( 0.000 39.478 0.000) 39.478 17.654 ( 0.000 23.243 0.000) 23.243 18.239 ( 0.000 13.534 0.000) 13.534 18.675 ( 0.000 2.895 0.000) 2.895 19.612 ( 0.000 1.038 0.000) 1.038 20.248 ( 0.000 -2.364 0.000) 2.364 21.155 ( 0.000 29.952 0.000) 29.952 21.707 ( 0.000 18.109 0.000) 18.109 22.205 ( 0.000 11.623 0.000) 11.623 23.148 ( 0.000 -15.636 0.000) 15.636 24.127 ( 0.000 -0.960 0.000) 0.960 24.886 ( 0.000 -3.817 0.000) 3.817 25.886 ( 0.000 -8.014 0.000) 8.014 26.525 ( 0.000 -9.619 0.000) 9.619 ======================= Grid point 22 (14/140) ======================= q-point: ( 0.17 0.23 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( -0.924 2.534 -1.547) 3.110 2.035 ( -0.677 13.509 1.868) 13.654 2.158 ( -0.394 18.877 -0.920) 18.903 2.450 ( 3.728 27.089 3.594) 27.580 2.917 ( -1.971 1.048 -1.261) 2.564 3.050 ( 2.566 2.388 7.201) 8.009 3.428 ( -2.134 2.966 5.350) 6.479 3.754 ( -5.093 2.978 -4.399) 7.359 3.837 ( -0.528 3.572 -6.298) 7.260 4.061 ( 3.936 6.243 -1.064) 7.456 4.080 ( 12.457 25.148 -6.255) 28.752 4.264 ( -17.115 18.936 1.771) 25.586 4.427 ( 2.001 4.974 0.773) 5.417 4.668 ( 3.943 7.633 -2.925) 9.076 4.948 ( 0.488 12.521 -5.495) 13.683 5.127 ( 2.952 4.797 9.236) 10.818 5.394 ( -6.968 -0.574 5.285) 8.764 5.677 ( 1.940 -3.699 -7.179) 8.306 5.882 ( -6.086 8.045 4.862) 11.198 5.919 ( -9.843 4.453 -3.213) 11.271 6.090 ( 4.590 10.177 3.709) 11.764 6.252 ( 2.979 1.092 3.223) 4.523 6.361 ( 4.601 -6.224 0.382) 7.749 6.524 ( -1.147 3.608 -0.407) 3.808 6.727 ( 4.560 6.583 -2.870) 8.506 6.846 ( 2.336 2.841 -0.532) 3.717 6.992 ( 0.902 14.403 -3.677) 14.892 7.190 ( 2.325 -2.858 2.523) 4.465 7.271 ( -2.770 2.030 2.320) 4.145 7.453 ( -1.595 12.799 -4.330) 13.605 7.637 ( 1.376 3.927 -2.975) 5.116 8.042 ( -1.882 9.538 -2.796) 10.116 8.169 ( -2.809 11.849 10.613) 16.153 8.328 ( 4.830 6.292 -4.538) 9.138 8.680 ( 0.440 13.768 0.522) 13.785 9.094 ( 1.734 9.934 4.140) 10.901 9.152 ( 1.491 14.844 -0.851) 14.943 9.547 ( -3.412 11.805 -2.688) 12.578 9.584 ( -0.198 13.849 -2.414) 14.059 9.632 ( -1.399 11.486 6.416) 13.230 9.946 ( -1.096 38.650 -0.081) 38.666 10.220 ( 0.118 12.914 -0.897) 12.946 10.486 ( -3.094 43.330 4.482) 43.671 10.590 ( 1.719 34.252 -5.038) 34.664 10.760 ( 0.717 33.424 1.123) 33.451 10.935 ( -2.748 -0.908 -2.077) 3.562 11.135 ( -0.523 3.839 -3.395) 5.152 11.311 ( -3.076 19.768 0.766) 20.020 11.518 ( -1.329 15.559 -0.223) 15.618 11.786 ( 3.561 4.475 0.912) 5.791 12.866 ( -0.436 6.855 -1.395) 7.009 13.091 ( 0.171 -10.582 2.101) 10.790 13.252 ( -1.953 -11.842 -0.991) 12.043 13.410 ( 0.427 -12.806 0.877) 12.843 13.679 ( 0.025 -18.120 -0.352) 18.124 14.187 ( -0.663 -28.487 -0.113) 28.495 14.861 ( 1.547 -8.110 0.252) 8.260 15.181 ( -0.437 -9.441 -0.199) 9.454 16.980 ( 2.652 39.065 3.698) 39.329 17.583 ( -6.428 24.370 -2.314) 25.310 18.227 ( -0.811 13.933 -0.255) 13.959 18.662 ( -1.328 2.726 -1.125) 3.234 19.670 ( 3.717 0.814 8.418) 9.238 20.229 ( -0.069 -2.188 -8.839) 9.106 21.126 ( -3.157 32.445 -4.350) 32.888 21.609 ( -9.282 21.261 -8.951) 24.866 22.194 ( -3.450 12.321 8.952) 15.616 22.593 ( -31.074 7.307 -7.881) 32.880 24.542 ( 22.803 -14.535 4.118) 27.353 24.942 ( 4.332 -5.950 4.698) 8.732 25.909 ( 2.605 -10.078 0.569) 10.425 26.557 ( 2.920 -10.060 0.011) 10.475 ======================= Grid point 23 (15/140) ======================= q-point: ( 0.33 0.23 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( -0.005 2.674 -0.069) 2.675 2.102 ( 4.584 19.579 3.756) 20.456 2.141 ( 0.771 -2.312 -1.222) 2.726 2.559 ( 5.422 23.497 1.073) 24.138 2.879 ( -1.517 0.140 -0.138) 1.530 3.105 ( -0.262 2.539 7.121) 7.564 3.413 ( -2.097 4.805 6.339) 8.226 3.601 ( -8.879 3.244 -5.620) 10.998 3.815 ( 0.671 6.834 -10.406) 12.467 3.876 ( -12.331 13.771 1.125) 18.519 4.112 ( -2.047 6.361 1.135) 6.778 4.277 ( 7.398 18.069 -4.500) 20.036 4.584 ( 10.287 9.394 -1.287) 13.990 4.745 ( 5.679 13.293 -7.308) 16.198 4.919 ( 1.155 12.376 -0.611) 12.445 5.226 ( 1.629 4.353 11.144) 12.074 5.281 ( -7.447 5.481 7.849) 12.128 5.587 ( -11.648 5.555 -7.408) 14.880 5.729 ( 1.064 -3.645 0.197) 3.802 5.893 ( 1.019 1.421 2.261) 2.859 6.177 ( 1.809 4.780 2.380) 5.638 6.294 ( 0.903 0.594 0.341) 1.133 6.412 ( 0.154 -1.111 1.287) 1.707 6.515 ( 0.684 -0.097 -0.502) 0.854 6.781 ( 2.081 4.025 -1.995) 4.951 6.879 ( -1.456 9.831 1.491) 10.050 7.002 ( 3.031 12.425 -6.578) 14.382 7.163 ( -3.992 0.436 -2.166) 4.562 7.296 ( 3.604 1.838 3.867) 5.597 7.464 ( 3.925 14.808 0.126) 15.320 7.647 ( 0.629 5.426 -3.072) 6.267 7.974 ( -2.815 9.727 -4.236) 10.976 8.127 ( -5.174 11.808 5.393) 13.974 8.424 ( 5.294 3.653 1.202) 6.544 8.700 ( 1.054 17.670 0.129) 17.701 9.130 ( 0.023 15.104 3.903) 15.600 9.210 ( 4.269 8.002 0.114) 9.071 9.466 ( -3.797 11.162 -1.420) 11.875 9.568 ( -0.020 11.285 -2.971) 11.670 9.618 ( -2.437 12.505 5.490) 13.873 9.920 ( -1.171 39.617 -0.478) 39.637 10.216 ( -0.180 15.708 -0.809) 15.730 10.448 ( -2.211 44.765 3.410) 44.949 10.595 ( 0.481 34.143 -2.774) 34.258 10.773 ( 0.306 34.538 -0.258) 34.540 10.869 ( -2.622 0.069 -2.046) 3.326 11.118 ( 1.068 2.606 -5.101) 5.826 11.247 ( -3.721 19.135 2.431) 19.644 11.489 ( -1.318 14.534 -0.141) 14.595 11.861 ( 3.118 2.770 0.808) 4.249 12.856 ( 0.039 5.879 -1.274) 6.016 13.102 ( -0.055 -10.754 2.077) 10.953 13.208 ( -1.730 -9.619 -0.816) 9.807 13.422 ( 0.431 -12.620 0.673) 12.646 13.678 ( 0.080 -18.302 -0.371) 18.306 14.167 ( -1.200 -28.026 -0.168) 28.053 14.909 ( 2.815 -7.949 0.662) 8.459 15.163 ( -1.207 -9.678 -0.571) 9.770 17.071 ( 4.541 37.216 5.284) 37.863 17.416 ( -8.555 28.654 -2.946) 30.049 18.220 ( 0.287 13.918 -0.242) 13.923 18.609 ( -2.903 3.500 -2.821) 5.351 19.795 ( 3.747 0.449 12.659) 13.210 20.177 ( -0.268 -1.730 -13.641) 13.753 20.916 ( -14.659 46.475 -9.247) 49.601 21.377 ( -6.620 25.167 -1.301) 26.056 22.116 ( -7.135 15.706 11.865) 20.937 22.279 ( -1.759 11.807 -8.568) 14.695 24.853 ( 10.402 -13.083 -1.780) 16.809 25.033 ( 0.610 -9.216 7.117) 11.660 25.992 ( 4.703 -15.784 0.578) 16.480 26.616 ( 2.583 -10.881 0.101) 11.183 ======================= Grid point 24 (16/140) ======================= q-point: (-0.50 0.23 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 0.000 2.593 0.000) 2.593 2.116 ( 0.000 9.165 0.000) 9.165 2.216 ( 0.000 0.397 0.000) 0.397 2.627 ( 0.000 20.352 0.000) 20.352 2.863 ( 0.000 -0.280 -0.000) 0.280 3.100 ( 0.000 3.290 -0.000) 3.290 3.397 ( 0.000 3.626 0.000) 3.626 3.465 ( 0.000 11.450 -0.000) 11.450 3.778 ( 0.000 12.177 -0.000) 12.177 3.797 ( 0.000 4.396 0.000) 4.396 4.089 ( 0.000 5.159 0.000) 5.159 4.333 ( 0.000 15.270 0.000) 15.270 4.699 ( 0.000 17.018 0.000) 17.018 4.773 ( 0.000 7.752 -0.000) 7.752 5.008 ( -0.000 18.811 0.000) 18.811 5.161 ( 0.000 3.021 -0.000) 3.021 5.307 ( -0.000 0.373 -0.000) 0.373 5.399 ( 0.000 7.684 0.000) 7.684 5.760 ( 0.000 -4.740 -0.000) 4.740 5.924 ( 0.000 2.557 -0.000) 2.557 6.184 ( 0.000 -0.088 -0.000) 0.088 6.300 ( 0.000 0.169 0.000) 0.169 6.416 ( 0.000 3.235 0.000) 3.235 6.522 ( 0.000 -2.169 -0.000) 2.169 6.810 ( -0.000 12.923 -0.000) 12.923 6.828 ( 0.000 4.839 -0.000) 4.839 7.030 ( 0.000 11.808 0.000) 11.808 7.117 ( 0.000 0.296 0.000) 0.296 7.350 ( 0.000 0.851 -0.000) 0.851 7.535 ( 0.000 18.624 0.000) 18.624 7.635 ( 0.000 4.278 -0.000) 4.278 7.931 ( 0.000 8.286 0.000) 8.286 8.070 ( 0.000 13.230 0.000) 13.230 8.490 ( 0.000 1.844 0.000) 1.844 8.709 ( 0.000 19.765 0.000) 19.765 9.137 ( 0.000 16.681 0.000) 16.681 9.271 ( 0.000 5.464 0.000) 5.464 9.411 ( 0.000 10.972 -0.000) 10.972 9.567 ( 0.000 9.987 -0.000) 9.987 9.596 ( -0.000 12.714 0.000) 12.714 9.906 ( 0.000 40.470 0.000) 40.470 10.211 ( 0.000 17.562 -0.000) 17.562 10.434 ( 0.000 44.109 -0.000) 44.109 10.592 ( 0.000 37.074 0.000) 37.074 10.774 ( 0.000 34.001 0.000) 34.001 10.836 ( 0.000 -0.837 0.000) 0.837 11.127 ( 0.000 0.779 -0.000) 0.779 11.208 ( 0.000 20.648 0.000) 20.648 11.474 ( 0.000 13.890 0.000) 13.890 11.895 ( 0.000 1.901 0.000) 1.901 12.855 ( 0.000 5.437 -0.000) 5.437 13.105 ( 0.000 -11.028 -0.000) 11.028 13.189 ( 0.000 -8.263 0.000) 8.263 13.428 ( 0.000 -12.580 -0.000) 12.580 13.678 ( 0.000 -18.404 0.000) 18.404 14.152 ( 0.000 -27.711 0.000) 27.711 14.947 ( 0.000 -8.092 0.000) 8.092 15.144 ( 0.000 -9.762 -0.000) 9.762 17.162 ( 0.000 33.075 -0.000) 33.075 17.288 ( 0.000 34.576 0.000) 34.576 18.227 ( 0.000 13.324 0.000) 13.324 18.564 ( 0.000 4.884 -0.000) 4.884 19.870 ( 0.000 0.533 0.000) 0.533 20.137 ( 0.000 -1.622 -0.000) 1.622 20.716 ( 0.000 54.012 -0.000) 54.012 21.326 ( 0.000 24.977 0.000) 24.977 22.074 ( 0.000 16.257 0.000) 16.257 22.256 ( 0.000 11.747 -0.000) 11.747 24.975 ( 0.000 -17.572 -0.000) 17.572 25.020 ( 0.000 -3.051 0.000) 3.051 26.047 ( 0.000 -18.625 -0.000) 18.625 26.643 ( 0.000 -11.272 0.000) 11.272 ======================= Grid point 28 (17/140) ======================= q-point: ( 0.00 0.31 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( 0.000 1.504 0.000) 1.504 2.026 ( 0.000 -2.128 0.000) 2.128 2.851 ( 0.000 10.087 0.000) 10.087 2.993 ( 0.000 36.638 0.000) 36.638 3.072 ( 0.000 15.435 0.000) 15.435 3.073 ( 0.000 5.216 0.000) 5.216 3.497 ( 0.000 3.131 0.000) 3.131 3.852 ( 0.000 -2.403 0.000) 2.403 3.870 ( 0.000 2.941 0.000) 2.941 4.182 ( 0.000 11.503 0.000) 11.503 4.292 ( 0.000 12.450 0.000) 12.450 4.435 ( 0.000 2.350 0.000) 2.350 4.689 ( 0.000 3.275 0.000) 3.275 4.944 ( 0.000 -0.745 0.000) 0.745 4.981 ( 0.000 -10.370 0.000) 10.370 5.163 ( 0.000 22.474 0.000) 22.474 5.466 ( 0.000 6.587 0.000) 6.587 5.664 ( 0.000 -0.676 0.000) 0.676 6.074 ( 0.000 -8.324 0.000) 8.324 6.078 ( 0.000 4.338 0.000) 4.338 6.213 ( 0.000 5.738 0.000) 5.738 6.243 ( 0.000 7.531 0.000) 7.531 6.324 ( 0.000 8.444 0.000) 8.444 6.569 ( 0.000 0.444 0.000) 0.444 6.790 ( 0.000 1.573 0.000) 1.573 6.808 ( 0.000 -0.865 0.000) 0.865 7.127 ( 0.000 3.017 0.000) 3.017 7.223 ( 0.000 6.142 0.000) 6.142 7.310 ( 0.000 1.627 0.000) 1.627 7.677 ( 0.000 2.058 0.000) 2.058 7.755 ( 0.000 12.684 0.000) 12.684 8.141 ( 0.000 1.424 0.000) 1.424 8.454 ( 0.000 12.897 0.000) 12.897 8.537 ( 0.000 14.893 0.000) 14.893 8.856 ( 0.000 6.215 0.000) 6.215 9.392 ( 0.000 22.794 0.000) 22.794 9.445 ( 0.000 14.581 0.000) 14.581 9.679 ( 0.000 0.720 0.000) 0.720 9.812 ( 0.000 7.221 0.000) 7.221 9.915 ( 0.000 13.832 0.000) 13.832 10.465 ( 0.000 12.549 0.000) 12.549 10.603 ( 0.000 21.746 0.000) 21.746 10.842 ( 0.000 -2.768 0.000) 2.768 10.908 ( 0.000 3.734 0.000) 3.734 11.206 ( 0.000 10.122 0.000) 10.122 11.449 ( 0.000 34.021 0.000) 34.021 11.585 ( 0.000 2.032 0.000) 2.032 11.606 ( 0.000 27.034 0.000) 27.034 12.033 ( 0.000 24.251 0.000) 24.251 12.078 ( 0.000 37.193 0.000) 37.193 12.908 ( 0.000 -4.596 0.000) 4.596 13.062 ( 0.000 -6.578 0.000) 6.578 13.216 ( 0.000 -2.889 0.000) 2.889 13.257 ( 0.000 27.071 0.000) 27.071 13.311 ( 0.000 -15.542 0.000) 15.542 13.832 ( 0.000 -5.672 0.000) 5.672 14.714 ( 0.000 -4.124 0.000) 4.124 15.004 ( 0.000 -7.944 0.000) 7.944 17.644 ( 0.000 28.570 0.000) 28.570 18.064 ( 0.000 16.567 0.000) 16.567 18.439 ( 0.000 6.693 0.000) 6.693 18.696 ( 0.000 -0.561 0.000) 0.561 19.642 ( 0.000 2.036 0.000) 2.036 20.163 ( 0.000 -5.657 0.000) 5.657 21.624 ( 0.000 16.497 0.000) 16.497 22.076 ( 0.000 17.124 0.000) 17.124 22.436 ( 0.000 10.134 0.000) 10.134 22.796 ( 0.000 -18.505 0.000) 18.505 24.129 ( 0.000 1.191 0.000) 1.191 24.760 ( 0.000 -8.321 0.000) 8.321 25.736 ( 0.000 -6.171 0.000) 6.171 26.305 ( 0.000 -11.903 0.000) 11.903 ======================= Grid point 29 (18/140) ======================= q-point: ( 0.17 0.31 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( 0.014 2.104 0.746) 2.232 2.023 ( 0.047 -2.607 -0.186) 2.615 2.802 ( -11.837 26.558 -0.758) 29.086 2.875 ( 1.174 12.977 -1.687) 13.139 3.015 ( -2.628 12.155 -1.384) 12.513 3.164 ( 0.958 9.125 11.298) 14.554 3.510 ( 0.505 4.810 4.457) 6.576 3.757 ( -6.887 -1.619 -2.486) 7.499 3.874 ( 0.627 2.470 -6.537) 7.016 4.211 ( 1.445 8.071 0.044) 8.199 4.396 ( 3.104 10.304 -1.449) 10.858 4.512 ( 9.249 6.370 -1.860) 11.383 4.630 ( -6.125 10.474 -3.917) 12.750 4.836 ( 1.208 6.918 1.259) 7.135 5.012 ( 1.843 -6.848 3.433) 7.879 5.220 ( 0.755 2.551 2.552) 3.686 5.409 ( -3.610 7.686 -4.335) 9.533 5.703 ( 3.474 4.784 -4.083) 7.185 5.976 ( -7.806 0.743 -2.109) 8.120 6.050 ( -10.131 7.329 3.349) 12.945 6.202 ( 5.874 -6.092 3.134) 9.024 6.265 ( -5.792 3.908 4.439) 8.278 6.322 ( 3.756 6.312 4.058) 8.391 6.558 ( -0.611 0.583 -3.459) 3.561 6.784 ( 1.433 0.727 -0.574) 1.706 6.895 ( 5.718 0.014 -2.382) 6.195 7.146 ( 3.754 5.419 -8.300) 10.599 7.228 ( -0.178 2.299 7.395) 7.746 7.347 ( 1.961 6.221 2.303) 6.917 7.661 ( -2.435 4.139 3.406) 5.887 7.768 ( 3.406 10.684 -7.889) 13.711 8.143 ( -0.672 1.976 2.694) 3.408 8.444 ( -1.568 13.683 1.847) 13.896 8.542 ( 1.278 13.910 -2.469) 14.185 8.902 ( 3.907 6.739 1.260) 7.891 9.395 ( -0.760 20.947 5.632) 21.704 9.456 ( 2.093 15.490 -5.312) 16.508 9.667 ( -0.926 1.554 -0.690) 1.936 9.786 ( -2.403 8.119 -0.351) 8.475 9.908 ( -1.283 13.314 2.049) 13.532 10.471 ( 0.704 12.368 -0.724) 12.409 10.603 ( 0.016 22.607 0.101) 22.608 10.798 ( -2.840 -2.447 -0.295) 3.760 10.946 ( 2.588 2.295 -0.706) 3.530 11.204 ( -0.022 9.964 -0.915) 10.006 11.411 ( -3.328 34.475 0.531) 34.639 11.566 ( -1.877 2.642 0.456) 3.272 11.603 ( -0.231 28.382 -1.734) 28.436 12.053 ( -0.975 27.037 9.917) 28.815 12.073 ( 2.095 33.887 -8.949) 35.111 12.909 ( 0.276 -4.831 -0.951) 4.931 13.054 ( -0.819 -5.375 -0.394) 5.451 13.215 ( -0.003 3.955 0.089) 3.956 13.255 ( -0.581 18.931 1.963) 19.042 13.311 ( 0.204 -14.770 -0.750) 14.790 13.821 ( -1.052 -6.414 -0.033) 6.500 14.733 ( 1.864 -3.966 0.099) 4.383 15.000 ( -0.467 -7.764 0.170) 7.779 17.668 ( 1.816 28.037 2.418) 28.200 18.016 ( -3.931 17.846 -2.196) 18.406 18.436 ( -0.283 7.172 0.328) 7.185 18.681 ( -1.265 -0.537 -1.173) 1.807 19.690 ( 3.138 1.284 6.823) 7.619 20.148 ( 0.020 -5.476 -7.579) 9.350 21.623 ( -0.071 17.231 -0.756) 17.248 22.004 ( -6.633 16.832 -7.307) 19.512 22.435 ( -1.514 10.472 5.840) 12.085 22.605 ( -12.800 -4.990 -1.228) 13.793 24.319 ( 14.220 -7.141 2.633) 16.129 24.790 ( 2.665 -9.311 0.752) 9.714 25.728 ( -0.615 -6.991 0.371) 7.027 26.328 ( 2.125 -12.337 -0.075) 12.519 ======================= Grid point 30 (19/140) ======================= q-point: ( 0.33 0.31 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( 0.124 3.132 1.077) 3.315 2.035 ( 1.083 -4.594 0.036) 4.720 2.602 ( -6.804 24.847 0.372) 25.764 2.895 ( -0.289 4.517 1.290) 4.707 2.979 ( 0.562 13.734 -3.105) 14.092 3.199 ( -1.648 6.610 9.595) 11.767 3.521 ( -3.260 4.491 2.416) 6.053 3.602 ( -4.477 -0.769 -2.802) 5.337 3.880 ( 2.664 4.636 -7.000) 8.809 4.176 ( -6.444 12.107 -0.231) 13.717 4.266 ( -5.797 8.925 0.624) 10.661 4.589 ( 2.123 10.262 -0.894) 10.517 4.778 ( 13.043 10.896 -4.747) 17.646 4.999 ( 12.136 9.847 0.378) 15.633 5.070 ( 2.148 0.725 2.290) 3.222 5.200 ( -3.250 -2.868 3.551) 5.604 5.339 ( -0.903 1.662 -1.862) 2.654 5.690 ( -5.865 4.612 0.215) 7.464 5.716 ( -12.803 3.390 -4.728) 14.062 5.995 ( 1.403 4.124 3.514) 5.597 6.150 ( -6.580 -5.185 3.418) 9.048 6.250 ( -0.778 -6.128 -0.300) 6.184 6.446 ( 5.299 6.006 4.089) 8.993 6.524 ( -0.777 1.443 -4.380) 4.677 6.833 ( 3.381 1.476 1.774) 4.093 6.970 ( 2.366 0.342 -2.055) 3.152 7.191 ( 3.205 6.640 -5.688) 9.312 7.276 ( 1.179 3.209 2.239) 4.086 7.350 ( -1.598 8.302 2.074) 8.705 7.671 ( 2.364 5.276 5.715) 8.129 7.809 ( 3.232 9.283 -7.197) 12.183 8.119 ( -2.470 4.337 0.945) 5.080 8.403 ( -2.790 14.787 0.017) 15.048 8.578 ( 2.563 11.888 0.292) 12.165 8.991 ( 3.988 7.713 1.252) 8.773 9.413 ( -0.334 17.282 8.318) 19.182 9.473 ( 2.230 16.485 -8.695) 18.771 9.645 ( -1.017 3.743 -0.363) 3.895 9.730 ( -2.635 9.729 0.376) 10.087 9.881 ( -2.089 12.539 1.603) 12.813 10.482 ( 0.604 12.090 -0.705) 12.125 10.604 ( 0.016 24.050 0.194) 24.051 10.752 ( -1.514 -4.023 -0.517) 4.329 10.984 ( 1.436 2.368 -0.505) 2.815 11.197 ( -0.226 9.874 -0.984) 9.925 11.352 ( -2.483 35.233 0.517) 35.324 11.528 ( -1.695 3.704 -0.292) 4.084 11.583 ( -0.957 30.123 -0.928) 30.152 12.046 ( -1.399 38.569 3.198) 38.727 12.106 ( 2.299 22.216 -2.303) 22.453 12.911 ( 0.491 -5.359 -1.437) 5.570 13.031 ( -1.183 -2.168 -0.036) 2.470 13.221 ( 0.547 12.042 -0.016) 12.055 13.251 ( -0.731 6.363 2.134) 6.751 13.313 ( 0.254 -12.500 -0.687) 12.522 13.796 ( -1.285 -7.611 -0.062) 7.719 14.782 ( 2.753 -3.922 0.230) 4.797 14.984 ( -1.204 -7.367 0.045) 7.465 17.725 ( 2.507 26.617 2.943) 26.896 17.921 ( -4.262 20.838 -1.917) 21.356 18.434 ( -0.003 7.698 0.206) 7.700 18.641 ( -1.891 -0.019 -2.053) 2.791 19.796 ( 3.465 -0.190 10.114) 10.693 20.105 ( -0.441 -5.035 -10.904) 12.019 21.594 ( -3.074 21.912 -2.547) 22.272 21.800 ( -7.948 16.904 -3.840) 19.070 22.405 ( -4.536 11.490 10.310) 16.090 22.471 ( -0.027 6.630 -6.349) 9.179 24.567 ( 8.801 -12.646 1.709) 15.502 24.850 ( 2.493 -10.992 0.966) 11.312 25.724 ( 0.066 -9.477 0.277) 9.481 26.371 ( 1.868 -13.142 -0.038) 13.274 ======================= Grid point 31 (20/140) ======================= q-point: (-0.50 0.31 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( 0.000 3.295 0.000) 3.295 2.049 ( 0.000 -5.745 0.000) 5.745 2.545 ( 0.000 21.428 0.000) 21.428 2.884 ( 0.000 2.364 0.000) 2.364 2.993 ( 0.000 14.577 0.000) 14.577 3.187 ( 0.000 5.231 -0.000) 5.231 3.461 ( 0.000 2.165 0.000) 2.165 3.573 ( 0.000 2.464 -0.000) 2.464 3.899 ( 0.000 6.569 0.000) 6.569 4.084 ( 0.000 15.217 -0.000) 15.217 4.231 ( 0.000 8.602 0.000) 8.602 4.603 ( 0.000 9.964 0.000) 9.964 4.956 ( 0.000 10.483 0.000) 10.483 5.023 ( 0.000 14.483 0.000) 14.483 5.152 ( 0.000 -4.178 0.000) 4.178 5.216 ( -0.000 -0.035 -0.000) 0.035 5.381 ( 0.000 8.342 0.000) 8.342 5.486 ( -0.000 2.295 0.000) 2.295 5.614 ( 0.000 -3.588 -0.000) 3.588 6.037 ( 0.000 2.268 0.000) 2.268 6.083 ( 0.000 -8.640 -0.000) 8.640 6.230 ( 0.000 -6.139 0.000) 6.139 6.502 ( 0.000 1.736 -0.000) 1.736 6.513 ( -0.000 5.522 0.000) 5.522 6.899 ( 0.000 2.429 -0.000) 2.429 6.969 ( 0.000 2.099 0.000) 2.099 7.213 ( 0.000 6.190 0.000) 6.190 7.258 ( 0.000 11.063 -0.000) 11.063 7.363 ( 0.000 1.397 -0.000) 1.397 7.733 ( 0.000 5.408 0.000) 5.408 7.818 ( 0.000 8.242 0.000) 8.242 8.089 ( 0.000 6.473 0.000) 6.473 8.367 ( 0.000 15.855 0.000) 15.855 8.611 ( 0.000 10.487 0.000) 10.487 9.038 ( 0.000 8.392 0.000) 8.392 9.437 ( 0.000 12.822 -0.000) 12.822 9.469 ( 0.000 18.620 0.000) 18.620 9.630 ( 0.000 6.570 0.000) 6.570 9.708 ( 0.000 9.470 0.000) 9.470 9.858 ( 0.000 12.313 0.000) 12.313 10.487 ( 0.000 11.959 -0.000) 11.959 10.605 ( 0.000 24.758 -0.000) 24.758 10.736 ( 0.000 -4.960 0.000) 4.960 10.997 ( 0.000 2.843 -0.000) 2.843 11.192 ( 0.000 10.156 0.000) 10.156 11.328 ( 0.000 35.073 0.000) 35.073 11.510 ( 0.000 4.278 0.000) 4.278 11.570 ( 0.000 30.733 0.000) 30.733 12.038 ( 0.000 39.834 -0.000) 39.834 12.125 ( 0.000 21.201 0.000) 21.201 12.914 ( 0.000 -5.830 0.000) 5.830 13.018 ( 0.000 -0.331 -0.000) 0.331 13.228 ( 0.000 17.884 -0.000) 17.884 13.246 ( 0.000 -2.458 0.000) 2.458 13.314 ( 0.000 -10.846 0.000) 10.846 13.781 ( 0.000 -8.089 0.000) 8.089 14.816 ( 0.000 -4.030 0.000) 4.030 14.967 ( 0.000 -7.154 -0.000) 7.154 17.765 ( 0.000 25.217 0.000) 25.217 17.865 ( 0.000 23.062 0.000) 23.062 18.435 ( 0.000 7.706 0.000) 7.706 18.613 ( 0.000 0.541 -0.000) 0.541 19.864 ( 0.000 -0.898 0.000) 0.898 20.067 ( 0.000 -4.796 -0.000) 4.796 21.530 ( 0.000 27.574 0.000) 27.574 21.730 ( 0.000 15.184 0.000) 15.184 22.382 ( 0.000 12.586 0.000) 12.586 22.464 ( 0.000 8.074 -0.000) 8.074 24.657 ( 0.000 -13.561 0.000) 13.561 24.878 ( 0.000 -11.294 0.000) 11.294 25.727 ( 0.000 -11.182 0.000) 11.182 26.390 ( 0.000 -13.519 0.000) 13.519 ======================= Grid point 35 (21/140) ======================= q-point: ( 0.00 0.38 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( 0.000 3.188 0.000) 3.188 1.974 ( 0.000 -3.072 0.000) 3.072 2.948 ( 0.000 3.603 0.000) 3.603 3.138 ( 0.000 0.761 0.000) 0.761 3.398 ( 0.000 13.812 0.000) 13.812 3.557 ( 0.000 13.884 0.000) 13.884 3.560 ( 0.000 2.884 0.000) 2.884 3.810 ( 0.000 -1.746 0.000) 1.746 4.039 ( 0.000 15.043 0.000) 15.043 4.401 ( 0.000 -0.767 0.000) 0.767 4.443 ( 0.000 15.416 0.000) 15.416 4.555 ( 0.000 8.208 0.000) 8.208 4.745 ( 0.000 1.637 0.000) 1.637 4.811 ( 0.000 -4.881 0.000) 4.881 4.880 ( 0.000 -3.886 0.000) 3.886 5.376 ( 0.000 1.319 0.000) 1.319 5.662 ( 0.000 0.836 0.000) 0.836 5.701 ( 0.000 12.455 0.000) 12.455 5.900 ( 0.000 -7.734 0.000) 7.734 6.100 ( 0.000 -1.029 0.000) 1.029 6.344 ( 0.000 6.132 0.000) 6.132 6.389 ( 0.000 6.466 0.000) 6.466 6.469 ( 0.000 4.595 0.000) 4.595 6.569 ( 0.000 -0.482 0.000) 0.482 6.777 ( 0.000 -1.367 0.000) 1.367 6.794 ( 0.000 -0.466 0.000) 0.466 7.205 ( 0.000 2.768 0.000) 2.768 7.274 ( 0.000 -0.010 0.000) 0.010 7.396 ( 0.000 6.907 0.000) 6.907 7.701 ( 0.000 0.001 0.000) 0.001 7.970 ( 0.000 8.109 0.000) 8.109 8.149 ( 0.000 -0.364 0.000) 0.364 8.719 ( 0.000 12.861 0.000) 12.861 8.802 ( 0.000 10.090 0.000) 10.090 8.969 ( 0.000 6.082 0.000) 6.082 9.629 ( 0.000 -4.329 0.000) 4.329 9.760 ( 0.000 13.461 0.000) 13.461 9.892 ( 0.000 22.900 0.000) 22.900 9.936 ( 0.000 6.956 0.000) 6.956 10.136 ( 0.000 7.885 0.000) 7.885 10.705 ( 0.000 10.502 0.000) 10.502 10.813 ( 0.000 1.645 0.000) 1.645 10.847 ( 0.000 4.085 0.000) 4.085 10.899 ( 0.000 -2.011 0.000) 2.011 11.390 ( 0.000 6.818 0.000) 6.818 11.446 ( 0.000 -10.131 0.000) 10.131 11.767 ( 0.000 -4.649 0.000) 4.649 11.878 ( 0.000 4.727 0.000) 4.727 12.482 ( 0.000 8.493 0.000) 8.493 12.727 ( 0.000 12.317 0.000) 12.317 12.979 ( 0.000 -2.954 0.000) 2.954 12.979 ( 0.000 11.778 0.000) 11.778 13.204 ( 0.000 19.399 0.000) 19.399 13.322 ( 0.000 14.125 0.000) 14.125 13.899 ( 0.000 28.836 0.000) 28.836 13.985 ( 0.000 16.832 0.000) 16.832 14.689 ( 0.000 1.758 0.000) 1.758 14.876 ( 0.000 -4.428 0.000) 4.428 18.107 ( 0.000 17.564 0.000) 17.564 18.328 ( 0.000 9.755 0.000) 9.755 18.530 ( 0.000 2.547 0.000) 2.547 18.657 ( 0.000 -3.230 0.000) 3.230 19.697 ( 0.000 3.357 0.000) 3.357 20.032 ( 0.000 -6.916 0.000) 6.916 21.856 ( 0.000 7.343 0.000) 7.343 22.370 ( 0.000 11.672 0.000) 11.672 22.413 ( 0.000 -16.690 0.000) 16.690 22.602 ( 0.000 4.297 0.000) 4.297 24.173 ( 0.000 3.048 0.000) 3.048 24.569 ( 0.000 -9.809 0.000) 9.809 25.653 ( 0.000 -1.687 0.000) 1.687 26.053 ( 0.000 -12.507 0.000) 12.507 ======================= Grid point 36 (22/140) ======================= q-point: ( 0.17 0.38 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( 0.467 3.146 1.253) 3.418 1.965 ( -0.776 -3.162 -0.184) 3.261 2.947 ( -0.227 3.928 -0.241) 3.942 3.137 ( 0.177 2.100 0.121) 2.111 3.333 ( -9.736 15.257 6.566) 19.253 3.438 ( -6.194 13.387 -3.160) 15.085 3.600 ( 1.644 3.212 1.802) 4.033 3.717 ( -8.041 -1.885 -1.269) 8.356 4.017 ( -0.181 13.040 -0.578) 13.054 4.358 ( -0.469 5.370 0.028) 5.391 4.514 ( 2.470 4.260 4.328) 6.556 4.691 ( 4.588 7.311 -4.245) 9.619 4.759 ( 4.303 2.592 -0.901) 5.103 4.876 ( 6.065 -1.071 -0.803) 6.211 4.893 ( 4.459 -1.713 2.587) 5.432 5.241 ( -4.974 0.458 -5.200) 7.210 5.597 ( -5.743 8.551 -2.259) 10.545 5.796 ( 4.660 3.799 -3.887) 7.159 5.932 ( -2.054 -4.834 0.944) 5.336 6.087 ( 0.165 -3.742 1.171) 3.924 6.175 ( -12.813 4.676 3.939) 14.197 6.337 ( -11.886 2.706 4.037) 12.841 6.461 ( 4.176 5.865 3.966) 8.220 6.565 ( 0.355 0.263 -2.638) 2.675 6.792 ( 1.322 0.378 0.050) 1.376 6.867 ( 6.173 -1.924 -4.214) 7.717 7.227 ( 2.685 1.559 -2.552) 4.019 7.262 ( -0.003 1.399 -0.343) 1.441 7.484 ( 6.031 7.300 3.432) 10.071 7.709 ( 0.172 1.322 2.153) 2.533 7.960 ( 0.306 7.304 -3.923) 8.297 8.154 ( -0.301 -0.621 2.622) 2.711 8.725 ( 0.240 13.935 0.359) 13.942 8.812 ( 1.307 10.978 -1.532) 11.161 9.002 ( 2.829 4.523 1.112) 5.449 9.625 ( -0.277 -3.780 0.006) 3.791 9.761 ( -0.520 14.122 1.650) 14.227 9.883 ( -0.009 17.290 -1.696) 17.373 9.943 ( 0.401 12.084 0.533) 12.102 10.128 ( -0.778 8.332 -0.711) 8.399 10.707 ( 0.233 10.208 -0.140) 10.211 10.796 ( -4.150 3.718 3.825) 6.758 10.844 ( 2.910 2.734 -2.569) 4.748 10.909 ( 0.388 -2.678 -1.727) 3.210 11.391 ( 0.378 6.686 -1.072) 6.782 11.447 ( 0.220 -9.148 -1.078) 9.214 11.773 ( 0.519 -3.923 -0.299) 3.968 11.856 ( -2.429 4.978 1.784) 5.819 12.495 ( 1.311 8.512 -0.125) 8.613 12.724 ( -0.480 12.319 0.908) 12.362 12.959 ( -0.002 7.058 -2.968) 7.656 13.003 ( 0.430 2.139 2.890) 3.621 13.197 ( -0.652 19.496 -0.110) 19.507 13.333 ( 1.148 13.769 -0.784) 13.839 13.878 ( -2.027 27.831 0.734) 27.914 13.955 ( -2.697 16.109 -0.515) 16.341 14.713 ( 2.290 2.167 -0.157) 3.157 14.881 ( 0.242 -3.665 0.693) 3.738 18.121 ( 1.070 17.115 1.353) 17.202 18.307 ( -1.558 11.100 -1.396) 11.296 18.536 ( 0.461 2.919 0.514) 3.000 18.646 ( -0.983 -2.979 -0.793) 3.235 19.726 ( 1.894 2.320 4.334) 5.268 20.021 ( 0.007 -6.677 -5.500) 8.651 21.864 ( 0.821 7.567 -0.008) 7.611 22.222 ( -9.129 1.290 -4.114) 10.096 22.488 ( 3.294 -1.426 -0.029) 3.590 22.596 ( -1.493 4.755 4.622) 6.797 24.244 ( 6.244 -0.731 0.591) 6.315 24.581 ( 1.106 -10.531 -0.207) 10.591 25.641 ( -1.180 -1.500 0.246) 1.924 26.067 ( 1.343 -12.930 -0.069) 13.000 ======================= Grid point 37 (23/140) ======================= q-point: ( 0.33 0.38 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( 0.376 3.078 1.342) 3.379 1.950 ( -0.508 -3.783 -0.179) 3.821 2.936 ( -0.346 6.037 -1.058) 6.139 3.101 ( -11.560 13.420 5.112) 18.435 3.163 ( 2.222 7.576 -2.898) 8.410 3.367 ( -4.340 8.648 5.338) 11.050 3.542 ( -5.972 -0.937 -3.975) 7.235 3.618 ( -0.565 1.025 -0.656) 1.342 4.052 ( 2.926 12.385 -0.572) 12.739 4.368 ( 0.765 7.166 0.483) 7.223 4.459 ( -6.195 8.950 0.634) 10.903 4.714 ( 1.975 3.619 -0.095) 4.124 4.927 ( 6.902 -3.491 8.859) 11.760 5.014 ( 9.258 -2.148 -0.573) 9.521 5.063 ( 7.588 4.306 1.719) 8.892 5.251 ( 10.011 4.428 -10.955) 15.487 5.448 ( -7.300 8.166 -4.501) 11.842 5.749 ( -9.323 -0.921 -4.395) 10.348 5.779 ( -10.789 4.232 1.205) 11.652 5.997 ( -3.741 -2.176 1.628) 4.624 6.090 ( -7.436 -5.670 0.066) 9.352 6.105 ( -7.075 -3.126 5.502) 9.492 6.552 ( 1.269 3.391 3.908) 5.328 6.580 ( 3.237 3.740 -4.372) 6.601 6.850 ( 4.371 0.510 2.531) 5.076 6.952 ( 3.338 -1.759 -2.464) 4.506 7.275 ( 0.929 1.492 0.628) 1.866 7.282 ( 3.856 -0.239 -4.083) 5.621 7.568 ( 0.005 10.666 2.482) 10.951 7.755 ( 4.004 3.396 5.362) 7.504 7.952 ( 0.129 4.904 -5.368) 7.272 8.151 ( -0.873 -0.840 1.849) 2.210 8.721 ( -0.591 16.374 -0.417) 16.390 8.838 ( 1.664 11.402 -0.612) 11.539 9.068 ( 2.866 1.965 1.187) 3.672 9.622 ( 0.018 -3.013 0.101) 3.014 9.745 ( -1.503 14.624 1.268) 14.755 9.896 ( 2.267 14.132 -2.532) 14.535 9.949 ( -0.486 15.623 2.109) 15.772 10.101 ( -1.396 9.605 -1.256) 9.787 10.711 ( 0.084 8.239 -0.178) 8.241 10.737 ( -2.590 5.960 1.932) 6.779 10.880 ( 0.566 3.861 -3.130) 5.002 10.912 ( 1.307 -4.756 0.712) 4.983 11.397 ( 0.656 6.960 -1.074) 7.073 11.446 ( 0.116 -7.638 -0.950) 7.698 11.780 ( 0.596 -1.086 -1.888) 2.258 11.811 ( -2.797 4.082 3.255) 5.923 12.525 ( 1.466 8.596 -0.147) 8.722 12.718 ( -0.440 12.175 0.977) 12.222 12.955 ( 0.564 9.789 -2.025) 10.012 13.014 ( -0.378 0.152 1.920) 1.963 13.184 ( -0.484 19.744 -0.181) 19.750 13.353 ( 1.023 13.277 -0.874) 13.345 13.842 ( -1.629 25.855 1.238) 25.936 13.894 ( -2.783 14.907 -0.836) 15.188 14.765 ( 2.777 2.461 -0.244) 3.719 14.883 ( -0.485 -2.161 0.753) 2.339 18.154 ( 1.413 16.078 1.513) 16.211 18.269 ( -1.599 13.698 -1.040) 13.831 18.547 ( 0.442 3.637 0.362) 3.682 18.617 ( -1.274 -2.263 -1.234) 2.875 19.793 ( 2.284 0.105 6.843) 7.215 19.989 ( -0.402 -5.982 -7.978) 9.980 21.883 ( 1.072 8.426 -0.241) 8.498 22.038 ( -7.403 5.762 -1.897) 9.571 22.536 ( 2.396 2.660 -2.896) 4.604 22.585 ( -1.698 4.481 5.516) 7.307 24.374 ( 5.666 -6.120 0.835) 8.382 24.601 ( 0.847 -12.193 -0.398) 12.229 25.618 ( -1.004 -1.225 0.211) 1.598 26.094 ( 1.164 -13.706 -0.049) 13.756 ======================= Grid point 38 (24/140) ======================= q-point: (-0.50 0.38 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 0.000 2.979 0.000) 2.979 1.945 ( 0.000 -4.345 0.000) 4.345 2.954 ( -0.000 4.342 0.000) 4.342 2.961 ( 0.000 16.840 -0.000) 16.840 3.207 ( 0.000 6.943 0.000) 6.943 3.296 ( 0.000 4.958 -0.000) 4.958 3.491 ( 0.000 1.581 0.000) 1.581 3.603 ( 0.000 0.540 -0.000) 0.540 4.085 ( 0.000 11.776 0.000) 11.776 4.358 ( 0.000 10.975 -0.000) 10.975 4.416 ( 0.000 9.002 0.000) 9.002 4.733 ( 0.000 3.752 0.000) 3.752 5.018 ( 0.000 -7.328 -0.000) 7.328 5.133 ( 0.000 -4.244 -0.000) 4.244 5.182 ( 0.000 10.243 0.000) 10.243 5.307 ( -0.000 10.742 0.000) 10.742 5.487 ( 0.000 1.201 0.000) 1.201 5.536 ( -0.000 2.858 0.000) 2.858 5.618 ( 0.000 2.862 -0.000) 2.862 5.925 ( 0.000 -5.881 0.000) 5.881 6.005 ( 0.000 -4.312 -0.000) 4.312 6.075 ( 0.000 -8.255 0.000) 8.255 6.567 ( 0.000 3.798 -0.000) 3.798 6.606 ( 0.000 3.344 0.000) 3.344 6.927 ( 0.000 0.400 -0.000) 0.400 6.968 ( 0.000 -1.295 0.000) 1.295 7.288 ( -0.000 1.593 0.000) 1.593 7.317 ( 0.000 -1.002 -0.000) 1.002 7.557 ( 0.000 12.612 -0.000) 12.612 7.849 ( 0.000 5.905 -0.000) 5.905 7.911 ( 0.000 1.789 0.000) 1.789 8.146 ( 0.000 -0.641 0.000) 0.641 8.711 ( 0.000 17.785 0.000) 17.785 8.856 ( 0.000 11.110 0.000) 11.110 9.101 ( 0.000 0.720 0.000) 0.720 9.623 ( 0.000 -2.642 -0.000) 2.642 9.730 ( 0.000 14.359 -0.000) 14.359 9.932 ( 0.000 20.947 -0.000) 20.947 9.936 ( -0.000 9.360 0.000) 9.360 10.080 ( 0.000 10.804 0.000) 10.804 10.706 ( 0.000 2.828 -0.000) 2.828 10.721 ( 0.000 11.511 -0.000) 11.511 10.872 ( 0.000 -0.089 0.000) 0.089 10.933 ( 0.000 -1.389 0.000) 1.389 11.402 ( 0.000 7.280 0.000) 7.280 11.445 ( 0.000 -7.033 -0.000) 7.033 11.779 ( 0.000 7.967 -0.000) 7.967 11.791 ( -0.000 -4.029 0.000) 4.029 12.540 ( 0.000 8.674 -0.000) 8.674 12.715 ( 0.000 12.018 -0.000) 12.018 12.959 ( 0.000 11.771 0.000) 11.771 13.011 ( 0.000 -1.409 -0.000) 1.409 13.179 ( 0.000 19.868 0.000) 19.868 13.361 ( 0.000 13.151 -0.000) 13.151 13.831 ( 0.000 25.837 -0.000) 25.837 13.860 ( 0.000 13.399 0.000) 13.399 14.798 ( 0.000 2.341 -0.000) 2.341 14.875 ( 0.000 -1.358 0.000) 1.358 18.174 ( 0.000 15.358 0.000) 15.358 18.248 ( 0.000 15.098 0.000) 15.098 18.553 ( 0.000 3.965 0.000) 3.965 18.599 ( 0.000 -1.791 -0.000) 1.791 19.840 ( 0.000 -1.185 -0.000) 1.185 19.959 ( 0.000 -5.416 0.000) 5.416 21.899 ( 0.000 10.252 0.000) 10.252 21.953 ( 0.000 6.938 0.000) 6.938 22.557 ( -0.000 4.795 0.000) 4.795 22.577 ( 0.000 3.234 -0.000) 3.234 24.436 ( 0.000 -7.890 0.000) 7.890 24.608 ( 0.000 -13.285 -0.000) 13.285 25.608 ( 0.000 -1.131 0.000) 1.131 26.106 ( 0.000 -14.066 0.000) 14.066 ======================= Grid point 42 (25/140) ======================= q-point: ( 0.00 0.46 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( 0.000 4.353 0.000) 4.353 1.900 ( 0.000 -4.162 0.000) 4.162 3.028 ( 0.000 4.182 0.000) 4.182 3.108 ( 0.000 -3.226 0.000) 3.226 3.584 ( 0.000 4.249 0.000) 4.249 3.604 ( 0.000 1.147 0.000) 1.147 3.695 ( 0.000 4.244 0.000) 4.244 3.769 ( 0.000 -2.687 0.000) 2.687 4.292 ( 0.000 7.266 0.000) 7.266 4.369 ( 0.000 -1.874 0.000) 1.874 4.651 ( 0.000 1.557 0.000) 1.557 4.679 ( 0.000 -0.631 0.000) 0.631 4.791 ( 0.000 1.608 0.000) 1.608 4.795 ( 0.000 3.461 0.000) 3.461 4.937 ( 0.000 15.939 0.000) 15.939 5.271 ( 0.000 -11.916 0.000) 11.916 5.695 ( 0.000 2.194 0.000) 2.194 5.755 ( 0.000 -4.085 0.000) 4.085 5.929 ( 0.000 7.861 0.000) 7.861 6.050 ( 0.000 -4.041 0.000) 4.041 6.446 ( 0.000 3.818 0.000) 3.818 6.486 ( 0.000 1.896 0.000) 1.896 6.507 ( 0.000 0.775 0.000) 0.775 6.548 ( 0.000 -1.629 0.000) 1.629 6.764 ( 0.000 0.270 0.000) 0.270 6.782 ( 0.000 -0.998 0.000) 0.998 7.239 ( 0.000 1.028 0.000) 1.028 7.258 ( 0.000 -0.997 0.000) 0.997 7.550 ( 0.000 7.227 0.000) 7.227 7.665 ( 0.000 -3.799 0.000) 3.799 8.086 ( 0.000 3.613 0.000) 3.613 8.132 ( 0.000 -1.338 0.000) 1.338 8.910 ( 0.000 4.685 0.000) 4.685 8.929 ( 0.000 2.520 0.000) 2.520 9.164 ( 0.000 13.513 0.000) 13.513 9.447 ( 0.000 -12.687 0.000) 12.687 9.955 ( 0.000 7.277 0.000) 7.277 10.081 ( 0.000 -3.334 0.000) 3.334 10.187 ( 0.000 14.507 0.000) 14.507 10.321 ( 0.000 5.561 0.000) 5.561 10.827 ( 0.000 1.046 0.000) 1.046 10.835 ( 0.000 2.362 0.000) 2.362 10.876 ( 0.000 2.123 0.000) 2.123 10.948 ( 0.000 0.089 0.000) 0.089 11.311 ( 0.000 1.551 0.000) 1.551 11.429 ( 0.000 -3.931 0.000) 3.931 11.657 ( 0.000 -1.531 0.000) 1.531 11.771 ( 0.000 -10.086 0.000) 10.086 12.495 ( 0.000 0.046 0.000) 0.046 12.595 ( 0.000 -9.466 0.000) 9.466 13.170 ( 0.000 8.921 0.000) 8.921 13.200 ( 0.000 6.163 0.000) 6.163 13.617 ( 0.000 12.850 0.000) 12.850 13.634 ( 0.000 10.418 0.000) 10.418 14.280 ( 0.000 8.767 0.000) 8.767 14.294 ( 0.000 8.628 0.000) 8.628 14.771 ( 0.000 4.913 0.000) 4.913 14.827 ( 0.000 -1.025 0.000) 1.025 18.382 ( 0.000 10.063 0.000) 10.063 18.469 ( 0.000 3.797 0.000) 3.797 18.548 ( 0.000 -0.681 0.000) 0.681 18.567 ( 0.000 -5.108 0.000) 5.108 19.780 ( 0.000 4.871 0.000) 4.871 19.895 ( 0.000 -6.377 0.000) 6.377 21.971 ( 0.000 5.393 0.000) 5.393 22.126 ( 0.000 -10.784 0.000) 10.784 22.553 ( 0.000 6.473 0.000) 6.473 22.634 ( 0.000 -1.355 0.000) 1.355 24.255 ( 0.000 5.117 0.000) 5.117 24.386 ( 0.000 -7.868 0.000) 7.868 25.677 ( 0.000 4.134 0.000) 4.134 25.820 ( 0.000 -9.755 0.000) 9.755 ======================= Grid point 43 (26/140) ======================= q-point: ( 0.17 0.46 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( 0.020 3.920 0.890) 4.019 1.894 ( -0.653 -3.821 0.228) 3.883 3.034 ( 0.406 4.492 0.322) 4.522 3.117 ( 0.557 -3.217 1.261) 3.500 3.542 ( -5.114 6.449 5.252) 9.764 3.610 ( -2.658 3.558 -6.765) 8.092 3.622 ( -3.785 0.054 3.301) 5.023 3.679 ( -7.546 -2.154 -2.013) 8.101 4.296 ( 0.385 10.196 3.533) 10.798 4.399 ( 2.139 -1.095 3.015) 3.856 4.638 ( -1.873 6.921 0.806) 7.215 4.734 ( 2.126 -2.975 6.199) 7.198 4.748 ( 1.943 1.236 -1.957) 3.022 4.814 ( 0.960 -3.335 -3.715) 5.084 5.035 ( 9.174 10.097 -5.568) 14.734 5.202 ( -0.326 -5.189 -5.831) 7.812 5.727 ( -1.592 4.368 0.185) 4.652 5.814 ( 0.868 -4.800 0.960) 4.972 5.890 ( -1.576 5.062 -2.094) 5.700 6.003 ( -3.295 -5.119 0.123) 6.089 6.274 ( -14.478 4.796 2.392) 15.438 6.347 ( -13.185 -1.848 1.797) 13.435 6.543 ( 2.842 2.378 4.005) 5.457 6.568 ( 1.702 -0.263 1.328) 2.175 6.804 ( 2.552 0.823 -2.364) 3.575 6.829 ( 5.224 -1.696 -3.949) 6.765 7.246 ( 1.116 0.833 -1.123) 1.789 7.264 ( 1.182 -0.796 -2.618) 2.980 7.626 ( 6.039 5.976 3.197) 9.078 7.707 ( 3.336 -1.855 2.190) 4.401 8.067 ( -1.328 3.719 -1.272) 4.149 8.125 ( -1.017 -2.140 0.968) 2.559 8.935 ( 1.937 4.984 1.603) 5.582 8.956 ( 2.494 2.771 -0.370) 3.746 9.164 ( 0.192 13.074 -0.903) 13.106 9.448 ( 0.224 -12.711 -0.709) 12.733 9.969 ( 1.221 7.221 0.677) 7.355 10.081 ( -0.825 -1.167 3.596) 3.870 10.181 ( 0.261 13.580 -3.771) 14.096 10.324 ( 0.421 5.223 -0.514) 5.265 10.811 ( -1.751 -0.090 2.438) 3.003 10.816 ( -2.168 0.281 0.922) 2.373 10.894 ( 1.893 4.399 0.148) 4.791 10.958 ( 1.295 1.659 -3.988) 4.509 11.316 ( 0.748 1.048 -0.566) 1.407 11.430 ( 0.600 -3.963 -2.253) 4.598 11.660 ( 0.010 -2.024 0.850) 2.196 11.763 ( -1.096 -9.477 1.620) 9.677 12.509 ( 1.447 -0.009 -0.526) 1.539 12.603 ( 0.821 -8.950 -0.497) 9.001 13.172 ( -0.038 8.713 0.872) 8.757 13.199 ( -0.355 6.182 1.203) 6.308 13.613 ( -0.208 13.088 -0.381) 13.095 13.636 ( 0.374 10.086 -0.815) 10.126 14.233 ( -4.123 8.716 0.078) 9.642 14.256 ( -3.399 7.527 -0.378) 8.268 14.803 ( 2.762 5.070 0.081) 5.774 14.852 ( 1.965 -0.169 0.836) 2.142 18.388 ( 0.480 9.716 0.250) 9.731 18.473 ( 0.311 4.633 0.035) 4.644 18.554 ( 0.799 -1.976 -2.146) 3.025 18.566 ( -0.349 -3.542 2.026) 4.095 19.789 ( 0.659 4.017 1.063) 4.207 19.890 ( 0.074 -5.919 -2.512) 6.430 21.978 ( 0.592 4.868 0.334) 4.915 22.103 ( -2.191 -7.767 0.202) 8.072 22.564 ( 1.180 5.008 -0.648) 5.186 22.631 ( -0.569 -1.099 1.346) 1.828 24.275 ( 1.972 3.674 -0.097) 4.170 24.391 ( 0.505 -7.715 -0.196) 7.734 25.672 ( -0.439 4.645 0.103) 4.667 25.826 ( 0.510 -10.243 -0.002) 10.255 ======================= Grid point 44 (27/140) ======================= q-point: ( 0.33 0.46 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( -0.066 3.017 0.860) 3.138 1.880 ( -0.718 -3.204 0.122) 3.286 3.043 ( 0.367 5.030 0.331) 5.055 3.130 ( -0.295 -2.995 1.798) 3.505 3.394 ( -8.044 7.948 1.161) 11.368 3.476 ( -9.479 -0.020 3.077) 9.966 3.552 ( -0.513 3.231 -4.426) 5.503 3.611 ( -0.804 -1.695 -2.340) 2.999 4.334 ( 1.214 12.737 2.187) 12.980 4.458 ( 2.431 0.665 1.558) 2.963 4.600 ( -2.467 5.471 1.115) 6.104 4.724 ( 0.161 -5.116 2.883) 5.875 4.848 ( 5.109 1.049 5.462) 7.552 4.923 ( 7.239 -4.738 3.138) 9.203 5.208 ( 10.896 6.198 -6.585) 14.160 5.286 ( 10.585 -1.206 -7.614) 13.094 5.608 ( -7.573 6.674 -3.080) 10.554 5.705 ( -8.576 -3.078 -2.547) 9.461 5.846 ( -4.915 2.356 -3.602) 6.533 5.934 ( -5.379 -6.434 -2.174) 8.663 5.999 ( -11.494 2.606 4.888) 12.759 6.069 ( -14.560 -2.848 4.648) 15.547 6.608 ( 1.985 2.168 2.269) 3.713 6.628 ( 2.840 0.613 -0.924) 3.048 6.866 ( 4.139 1.320 0.868) 4.430 6.906 ( 3.567 -2.481 -1.506) 4.599 7.275 ( 2.002 0.104 -0.649) 2.108 7.283 ( 1.960 -0.469 -3.637) 4.158 7.746 ( 3.068 6.113 3.674) 7.764 7.800 ( 5.153 0.469 4.691) 6.984 8.028 ( -2.080 3.259 -3.135) 4.978 8.101 ( -1.419 -3.618 0.074) 3.887 8.983 ( 1.736 5.287 2.592) 6.139 9.003 ( 2.119 4.049 -1.277) 4.745 9.162 ( 0.016 11.716 -0.918) 11.752 9.450 ( 0.244 -12.960 -0.740) 12.984 9.997 ( 1.043 7.491 0.454) 7.577 10.083 ( -0.494 1.655 5.080) 5.366 10.169 ( 0.274 12.800 -5.084) 13.775 10.333 ( 0.615 4.656 -0.492) 4.722 10.780 ( -1.657 -0.395 1.280) 2.131 10.785 ( -1.576 -0.565 1.566) 2.293 10.932 ( 1.134 4.685 1.381) 5.014 10.960 ( 0.980 3.231 -5.035) 6.062 11.334 ( 0.997 0.591 -0.284) 1.194 11.437 ( 0.989 -3.800 -2.138) 4.471 11.661 ( -0.175 -3.023 0.724) 3.113 11.745 ( -1.313 -8.356 1.646) 8.617 12.539 ( 1.552 -0.286 -0.592) 1.685 12.617 ( 0.688 -7.826 -0.466) 7.870 13.175 ( 0.031 8.133 0.861) 8.179 13.195 ( -0.550 6.392 1.391) 6.565 13.608 ( -0.036 13.554 -0.537) 13.565 13.641 ( 0.477 9.510 -0.908) 9.565 14.151 ( -3.558 8.455 0.056) 9.174 14.185 ( -3.075 6.160 -0.134) 6.886 14.858 ( 2.443 4.819 -0.066) 5.403 14.891 ( 1.251 1.357 0.877) 2.043 18.400 ( 0.581 8.806 0.302) 8.831 18.479 ( 0.208 6.082 0.135) 6.088 18.550 ( -0.165 -3.438 -1.424) 3.725 18.578 ( 0.589 -1.078 1.133) 1.671 19.811 ( 0.840 1.906 2.082) 2.945 19.878 ( -0.095 -4.614 -3.514) 5.801 21.994 ( 0.919 3.627 0.233) 3.748 22.056 ( -2.366 -2.291 0.372) 3.314 22.587 ( 1.503 2.526 -1.468) 3.286 22.623 ( -0.995 -0.432 2.078) 2.344 24.319 ( 2.182 0.666 -0.003) 2.281 24.399 ( 0.258 -7.150 -0.269) 7.160 25.664 ( -0.370 5.551 0.095) 5.564 25.836 ( 0.436 -11.102 0.006) 11.111 ======================= Grid point 45 (28/140) ======================= q-point: (-0.50 0.46 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( 0.000 2.559 0.000) 2.559 1.872 ( 0.000 -2.963 0.000) 2.963 3.050 ( 0.000 4.754 0.000) 4.754 3.118 ( 0.000 -0.520 0.000) 0.520 3.331 ( 0.000 5.004 -0.000) 5.004 3.366 ( -0.000 1.377 -0.000) 1.377 3.543 ( 0.000 3.170 0.000) 3.170 3.594 ( 0.000 -1.477 -0.000) 1.477 4.347 ( 0.000 12.114 -0.000) 12.114 4.480 ( 0.000 0.009 -0.000) 0.009 4.586 ( 0.000 8.052 -0.000) 8.052 4.743 ( 0.000 -5.213 0.000) 5.213 4.927 ( 0.000 1.583 0.000) 1.583 5.025 ( 0.000 -5.840 -0.000) 5.840 5.351 ( 0.000 6.365 0.000) 6.365 5.448 ( 0.000 -2.722 0.000) 2.722 5.494 ( 0.000 5.717 0.000) 5.717 5.565 ( -0.000 -0.704 0.000) 0.704 5.715 ( 0.000 5.662 -0.000) 5.662 5.821 ( 0.000 -5.121 0.000) 5.121 5.917 ( 0.000 -2.705 -0.000) 2.705 5.938 ( -0.000 -4.389 0.000) 4.389 6.633 ( 0.000 2.302 -0.000) 2.302 6.648 ( -0.000 0.812 0.000) 0.812 6.926 ( 0.000 -0.139 -0.000) 0.139 6.937 ( 0.000 -1.324 0.000) 1.324 7.298 ( -0.000 -0.133 0.000) 0.133 7.299 ( 0.000 -0.474 -0.000) 0.474 7.778 ( 0.000 8.604 -0.000) 8.604 7.897 ( -0.000 -3.214 -0.000) 3.214 7.971 ( 0.000 6.063 0.000) 6.063 8.086 ( 0.000 -4.808 0.000) 4.808 9.010 ( 0.000 4.114 -0.000) 4.114 9.019 ( 0.000 6.530 0.000) 6.530 9.160 ( 0.000 10.534 -0.000) 10.534 9.451 ( 0.000 -13.198 -0.000) 13.198 10.007 ( 0.000 8.435 -0.000) 8.435 10.095 ( 0.000 -0.376 0.000) 0.376 10.157 ( 0.000 15.007 -0.000) 15.007 10.339 ( 0.000 4.384 0.000) 4.384 10.768 ( -0.000 -2.545 -0.000) 2.545 10.770 ( 0.000 1.629 0.000) 1.629 10.942 ( 0.000 6.521 0.000) 6.521 10.962 ( 0.000 1.487 -0.000) 1.487 11.344 ( 0.000 0.684 0.000) 0.684 11.444 ( 0.000 -3.650 -0.000) 3.650 11.660 ( 0.000 -3.557 -0.000) 3.557 11.733 ( 0.000 -7.821 0.000) 7.821 12.554 ( 0.000 -0.516 0.000) 0.516 12.623 ( 0.000 -7.214 -0.000) 7.214 13.178 ( -0.000 7.647 0.000) 7.647 13.192 ( 0.000 6.701 -0.000) 6.701 13.607 ( 0.000 13.781 0.000) 13.781 13.645 ( 0.000 9.278 -0.000) 9.278 14.114 ( 0.000 8.349 -0.000) 8.349 14.153 ( 0.000 5.608 0.000) 5.608 14.884 ( 0.000 4.310 -0.000) 4.310 14.903 ( 0.000 2.300 0.000) 2.300 18.408 ( 0.000 8.198 -0.000) 8.198 18.481 ( 0.000 6.666 0.000) 6.666 18.544 ( 0.000 -2.699 0.000) 2.699 18.587 ( 0.000 -1.013 -0.000) 1.013 19.828 ( 0.000 0.323 -0.000) 0.323 19.865 ( 0.000 -3.442 0.000) 3.442 22.011 ( -0.000 2.308 0.000) 2.308 22.026 ( 0.000 0.882 0.000) 0.882 22.606 ( -0.000 0.901 0.000) 0.901 22.611 ( 0.000 0.480 -0.000) 0.480 24.344 ( 0.000 -1.045 0.000) 1.045 24.399 ( 0.000 -6.597 -0.000) 6.597 25.660 ( 0.000 5.958 0.000) 5.958 25.841 ( 0.000 -11.486 0.000) 11.486 ======================= Grid point 91 (29/140) ======================= q-point: ( 0.00 0.00 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.542 ( 36.829 0.000 31.010) 48.146 0.699 ( -5.767 0.000 36.671) 37.121 1.021 ( -17.077 0.000 51.695) 54.442 2.202 ( 5.435 0.000 -2.507) 5.985 2.685 ( -6.054 0.000 8.907) 10.770 2.786 ( 2.722 0.000 -11.797) 12.107 3.355 ( -4.395 0.000 1.665) 4.700 3.357 ( 3.804 0.000 0.354) 3.820 3.405 ( 0.686 0.000 0.847) 1.090 3.441 ( -5.724 0.000 0.867) 5.789 3.509 ( 2.041 0.000 -4.376) 4.829 3.950 ( 1.324 0.000 -18.744) 18.791 4.209 ( -0.403 0.000 -2.530) 2.562 4.425 ( 3.255 0.000 -1.601) 3.628 4.514 ( -4.558 0.000 1.660) 4.850 4.829 ( -6.184 0.000 16.930) 18.024 4.989 ( 1.712 0.000 -2.548) 3.070 5.077 ( 11.710 0.000 4.292) 12.472 5.609 ( 3.052 0.000 -1.694) 3.490 5.693 ( -1.379 0.000 0.663) 1.530 5.706 ( -8.911 0.000 7.717) 11.788 6.176 ( 4.505 0.000 -1.184) 4.658 6.256 ( -5.255 0.000 3.581) 6.359 6.311 ( 5.893 0.000 -4.847) 7.630 6.415 ( 2.128 0.000 6.707) 7.037 6.634 ( 3.810 0.000 -17.912) 18.312 6.911 ( 5.390 0.000 -2.231) 5.834 7.014 ( -3.768 0.000 -8.522) 9.318 7.165 ( 0.513 0.000 -4.936) 4.963 7.215 ( 1.642 0.000 -4.732) 5.009 7.550 ( -1.396 0.000 2.594) 2.946 7.640 ( 5.408 0.000 0.176) 5.411 7.928 ( -0.887 0.000 1.318) 1.589 8.114 ( 1.006 0.000 -0.762) 1.262 8.197 ( 2.290 0.000 -5.699) 6.141 8.306 ( -1.030 0.000 1.999) 2.249 8.332 ( 7.523 0.000 -5.281) 9.192 8.615 ( 0.075 0.000 -0.004) 0.075 8.648 ( -3.024 0.000 1.322) 3.300 8.873 ( 4.177 0.000 -4.985) 6.503 9.054 ( -0.556 0.000 -2.698) 2.755 9.401 ( -1.890 0.000 3.634) 4.096 9.711 ( -0.315 0.000 -3.333) 3.348 10.252 ( -1.855 0.000 8.577) 8.776 10.388 ( -1.658 0.000 9.128) 9.278 10.971 ( -0.425 0.000 3.193) 3.222 11.136 ( 0.025 0.000 -2.582) 2.582 11.559 ( -0.539 0.000 4.002) 4.039 11.841 ( -6.611 0.000 14.904) 16.304 12.960 ( 0.338 0.000 -1.642) 1.676 12.961 ( 0.508 0.000 -4.401) 4.430 13.139 ( -4.491 0.000 -0.370) 4.506 13.755 ( 2.305 0.000 -4.401) 4.968 14.037 ( -2.494 0.000 1.852) 3.107 14.149 ( -0.650 0.000 3.186) 3.252 14.339 ( -1.749 0.000 -5.467) 5.740 15.366 ( 0.165 0.000 -0.708) 0.726 15.453 ( -26.616 0.000 11.795) 29.112 16.160 ( -7.924 0.000 -1.123) 8.003 16.450 ( -19.739 0.000 -0.792) 19.755 16.955 ( -4.542 0.000 -3.895) 5.983 17.001 ( 0.395 0.000 -2.036) 2.074 18.261 ( -0.428 0.000 2.250) 2.290 18.929 ( 0.174 0.000 -0.956) 0.971 20.215 ( -7.412 0.000 2.800) 7.923 20.960 ( -8.886 0.000 -8.436) 12.253 22.079 ( -4.167 0.000 19.544) 19.984 23.342 ( -94.074 0.000 -0.208) 94.075 24.586 ( 92.555 0.000 -5.521) 92.720 24.746 ( 8.435 0.000 -10.768) 13.679 26.175 ( 1.419 0.000 2.603) 2.964 28.169 ( -6.527 0.000 1.992) 6.824 ======================= Grid point 92 (30/140) ======================= q-point: ( 0.17 0.00 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( 1.259 0.000 28.317) 28.345 0.930 ( 12.406 0.000 28.039) 30.661 1.623 ( 44.395 0.000 23.176) 50.080 2.237 ( -1.999 0.000 3.403) 3.947 2.560 ( -8.449 0.000 11.427) 14.211 2.802 ( 2.910 0.000 -10.429) 10.827 3.241 ( -1.824 0.000 -6.040) 6.309 3.263 ( -7.972 0.000 2.524) 8.362 3.418 ( 0.425 0.000 0.501) 0.657 3.495 ( 5.921 0.000 -2.595) 6.465 3.531 ( 0.501 0.000 -6.840) 6.858 3.822 ( -6.930 0.000 -13.673) 15.329 4.191 ( -0.713 0.000 -0.869) 1.124 4.420 ( -5.334 0.000 0.818) 5.396 4.474 ( 2.648 0.000 -1.815) 3.210 4.840 ( -0.748 0.000 20.135) 20.149 5.017 ( 1.703 0.000 -1.039) 1.995 5.248 ( -0.758 0.000 11.046) 11.072 5.637 ( -1.213 0.000 -2.227) 2.536 5.661 ( -0.593 0.000 1.562) 1.671 5.677 ( 5.564 0.000 -2.210) 5.987 6.014 ( -9.311 0.000 -16.469) 18.919 6.181 ( -3.445 0.000 3.199) 4.701 6.257 ( -4.277 0.000 -14.365) 14.988 6.475 ( 0.936 0.000 6.863) 6.927 6.723 ( 0.899 0.000 -2.682) 2.829 6.881 ( -5.425 0.000 -4.561) 7.087 7.065 ( 10.387 0.000 -9.178) 13.861 7.128 ( -0.951 0.000 -5.416) 5.499 7.260 ( 3.588 0.000 -4.531) 5.779 7.503 ( -3.779 0.000 -0.241) 3.787 7.713 ( 2.181 0.000 -3.962) 4.523 7.922 ( -0.233 0.000 1.195) 1.218 8.122 ( -0.048 0.000 -0.108) 0.118 8.196 ( -2.219 0.000 0.247) 2.232 8.308 ( 0.589 0.000 1.424) 1.541 8.419 ( 3.373 0.000 -7.743) 8.446 8.604 ( -1.195 0.000 0.124) 1.202 8.634 ( 1.352 0.000 1.120) 1.755 8.919 ( 2.527 0.000 -0.815) 2.655 9.030 ( -2.459 0.000 -3.769) 4.500 9.360 ( -2.352 0.000 3.331) 4.078 9.711 ( 1.767 0.000 -4.073) 4.439 10.228 ( -3.318 0.000 8.285) 8.924 10.422 ( -0.342 0.000 12.945) 12.949 10.741 ( -40.349 0.000 45.037) 60.468 11.091 ( 1.411 0.000 -5.840) 6.008 11.529 ( -5.251 0.000 5.816) 7.836 11.680 ( -15.761 0.000 27.436) 31.641 12.657 ( -34.025 0.000 34.602) 48.528 12.959 ( 0.255 0.000 -1.647) 1.666 12.974 ( 0.593 0.000 -3.025) 3.083 13.690 ( -9.397 0.000 9.331) 13.242 13.950 ( -16.102 0.000 10.893) 19.441 14.001 ( -12.966 0.000 15.471) 20.186 14.150 ( -0.562 0.000 3.189) 3.239 14.408 ( -8.092 0.000 8.976) 12.085 15.366 ( 0.121 0.000 -0.689) 0.699 16.154 ( -2.812 0.000 -2.173) 3.553 16.794 ( 17.335 0.000 -16.541) 23.961 17.002 ( 0.527 0.000 -2.070) 2.136 17.055 ( 14.270 0.000 -4.772) 15.046 18.265 ( -0.165 0.000 2.290) 2.296 18.927 ( 0.004 0.000 -0.979) 0.979 20.057 ( -8.466 0.000 1.860) 8.668 20.790 ( -8.287 0.000 21.868) 23.385 21.775 ( -34.532 0.000 21.605) 40.734 22.208 ( -14.409 0.000 25.852) 29.596 24.754 ( 6.054 0.000 -15.692) 16.819 25.779 ( 30.344 0.000 -33.892) 45.491 26.258 ( 8.192 0.000 0.206) 8.195 27.701 ( -28.996 0.000 24.678) 38.076 ======================= Grid point 93 (31/140) ======================= q-point: ( 0.33 0.00 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( 8.240 0.000 3.211) 8.843 1.282 ( 11.222 0.000 19.581) 22.568 2.141 ( -11.618 0.000 13.040) 17.465 2.388 ( 13.484 0.000 7.861) 15.608 2.536 ( 13.018 0.000 0.012) 13.018 2.773 ( -3.061 0.000 -5.374) 6.185 3.175 ( -0.713 0.000 0.046) 0.715 3.292 ( 8.490 0.000 -9.575) 12.797 3.412 ( -1.040 0.000 -0.609) 1.205 3.476 ( -2.541 0.000 -6.151) 6.655 3.591 ( 5.105 0.000 -3.904) 6.426 3.667 ( -3.088 0.000 4.580) 5.524 4.190 ( 0.825 0.000 0.198) 0.849 4.327 ( -4.131 0.000 0.592) 4.173 4.517 ( 2.667 0.000 -2.153) 3.427 4.915 ( -1.290 0.000 19.305) 19.348 5.037 ( 0.238 0.000 0.555) 0.604 5.044 ( -22.403 0.000 13.626) 26.221 5.567 ( -3.937 0.000 -0.175) 3.941 5.671 ( 0.649 0.000 -0.801) 1.031 5.754 ( 0.453 0.000 -6.241) 6.258 5.971 ( 12.369 0.000 -14.715) 19.223 6.155 ( -0.720 0.000 4.007) 4.071 6.156 ( 1.633 0.000 -12.947) 13.049 6.503 ( -0.733 0.000 5.945) 5.991 6.650 ( -6.278 0.000 1.715) 6.508 6.790 ( -1.843 0.000 -3.907) 4.320 7.096 ( -0.047 0.000 -5.404) 5.404 7.138 ( 0.822 0.000 -7.468) 7.513 7.302 ( 2.579 0.000 -4.863) 5.505 7.387 ( -6.536 0.000 -6.102) 8.942 7.695 ( -1.110 0.000 -5.057) 5.177 7.929 ( 0.396 0.000 1.466) 1.519 8.094 ( -9.668 0.000 7.413) 12.182 8.111 ( -1.132 0.000 0.576) 1.270 8.337 ( 1.739 0.000 0.651) 1.857 8.446 ( 2.922 0.000 -3.987) 4.943 8.575 ( -1.666 0.000 0.366) 1.705 8.672 ( 0.739 0.000 -0.624) 0.968 8.825 ( -6.478 0.000 -6.967) 9.513 9.069 ( 6.052 0.000 0.744) 6.097 9.335 ( -3.190 0.000 4.581) 5.583 9.737 ( 2.390 0.000 -4.050) 4.703 10.208 ( -21.725 0.000 57.086) 61.080 10.210 ( -6.621 0.000 20.034) 21.100 10.498 ( 0.717 0.000 11.044) 11.067 11.102 ( 0.348 0.000 -2.407) 2.432 11.466 ( -1.813 0.000 5.383) 5.680 11.601 ( -4.243 0.000 17.863) 18.360 12.477 ( -4.323 0.000 20.531) 20.981 12.957 ( 0.261 0.000 -1.654) 1.675 12.981 ( 1.620 0.000 -5.469) 5.704 13.605 ( -4.637 0.000 12.425) 13.262 13.757 ( -6.360 0.000 0.309) 6.367 13.981 ( -0.189 0.000 6.263) 6.266 14.152 ( -0.575 0.000 3.184) 3.236 14.373 ( -0.157 0.000 0.748) 0.765 15.365 ( 0.101 0.000 -0.670) 0.678 16.072 ( -4.145 0.000 -0.071) 4.146 16.929 ( 7.288 0.000 -18.848) 20.208 17.005 ( 0.564 0.000 -2.107) 2.182 17.333 ( 14.118 0.000 -3.858) 14.636 18.271 ( -0.212 0.000 2.326) 2.336 18.923 ( 0.032 0.000 -0.997) 0.998 19.939 ( -5.169 0.000 5.823) 7.786 20.750 ( -11.722 0.000 39.907) 41.593 21.438 ( -4.022 0.000 -8.031) 8.982 22.146 ( -6.073 0.000 23.337) 24.114 24.800 ( 5.228 0.000 -18.279) 19.012 25.881 ( -1.220 0.000 -15.885) 15.932 26.469 ( 11.428 0.000 -8.069) 13.989 27.395 ( -13.638 0.000 21.607) 25.552 ======================= Grid point 94 (32/140) ======================= q-point: (-0.50 0.00 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( 12.013 0.000 -5.831) 13.353 1.437 ( -4.475 0.000 16.380) 16.981 1.884 ( -19.766 0.000 12.496) 23.385 2.386 ( -5.599 0.000 0.436) 5.616 2.700 ( -0.474 0.000 -2.935) 2.973 2.732 ( -2.201 0.000 -10.132) 10.368 3.203 ( 2.080 0.000 -0.398) 2.118 3.345 ( -0.530 0.000 -4.539) 4.569 3.378 ( -1.347 0.000 -2.375) 2.730 3.432 ( 4.326 0.000 -13.304) 13.990 3.653 ( 2.434 0.000 -3.644) 4.382 3.811 ( 5.520 0.000 22.353) 23.024 4.213 ( 0.716 0.000 2.661) 2.755 4.277 ( -0.938 0.000 0.336) 0.996 4.560 ( 2.414 0.000 -1.776) 2.996 4.688 ( -10.438 0.000 7.629) 12.929 5.001 ( -0.404 0.000 23.895) 23.898 5.026 ( -1.618 0.000 0.961) 1.882 5.509 ( -1.505 0.000 -0.714) 1.666 5.681 ( 0.760 0.000 -0.833) 1.128 5.695 ( -2.826 0.000 -9.280) 9.701 6.087 ( 0.812 0.000 4.915) 4.981 6.180 ( 1.137 0.000 5.356) 5.475 6.291 ( 15.857 0.000 -20.480) 25.901 6.494 ( -2.417 0.000 4.604) 5.200 6.536 ( -4.709 0.000 -1.460) 4.930 6.771 ( 2.007 0.000 -8.414) 8.651 7.083 ( 1.036 0.000 -5.136) 5.240 7.115 ( -0.660 0.000 6.248) 6.283 7.235 ( -3.131 0.000 -15.667) 15.977 7.317 ( 0.940 0.000 -5.160) 5.245 7.646 ( -3.248 0.000 -1.571) 3.608 7.937 ( -6.222 0.000 3.918) 7.353 7.945 ( 0.372 0.000 1.919) 1.954 8.090 ( -1.007 0.000 0.448) 1.103 8.366 ( 0.523 0.000 0.547) 0.757 8.482 ( -0.760 0.000 3.404) 3.488 8.554 ( -0.291 0.000 0.475) 0.557 8.637 ( 1.461 0.000 -9.979) 10.086 8.790 ( 3.029 0.000 -5.959) 6.685 9.159 ( 2.666 0.000 -4.856) 5.540 9.277 ( -3.908 0.000 8.997) 9.809 9.766 ( 1.738 0.000 -2.773) 3.272 10.158 ( -5.359 0.000 36.117) 36.512 10.238 ( -1.008 0.000 25.425) 25.444 10.563 ( 0.306 0.000 16.439) 16.442 11.072 ( -2.144 0.000 -2.952) 3.649 11.483 ( 1.099 0.000 2.500) 2.731 11.629 ( -0.497 0.000 20.224) 20.230 12.483 ( -3.977 0.000 16.961) 17.421 12.956 ( 0.349 0.000 -1.657) 1.693 12.987 ( 1.481 0.000 -6.575) 6.740 13.576 ( -3.006 0.000 10.744) 11.156 13.704 ( 0.896 0.000 0.533) 1.042 14.013 ( 0.470 0.000 7.612) 7.627 14.153 ( -0.674 0.000 3.176) 3.247 14.386 ( 0.899 0.000 1.017) 1.357 15.364 ( 0.123 0.000 -0.670) 0.682 16.019 ( -0.839 0.000 0.055) 0.841 16.962 ( 4.243 0.000 -18.962) 19.431 17.006 ( 0.469 0.000 -2.112) 2.163 17.568 ( 11.294 0.000 -2.740) 11.622 18.273 ( -0.525 0.000 2.322) 2.380 18.921 ( 0.232 0.000 -0.991) 1.018 19.913 ( -1.478 0.000 16.955) 17.020 20.626 ( -14.617 0.000 30.685) 33.988 21.455 ( 6.390 0.000 -8.887) 10.946 22.137 ( -5.014 0.000 25.312) 25.804 24.793 ( 2.219 0.000 -21.627) 21.741 25.762 ( -2.915 0.000 -15.034) 15.314 26.573 ( 2.073 0.000 -9.010) 9.245 27.298 ( -5.087 0.000 19.332) 19.990 ======================= Grid point 95 (33/140) ======================= q-point: (-0.33 0.00 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( -20.638 0.000 18.610) 27.790 1.291 ( -23.951 0.000 6.111) 24.718 1.690 ( 9.786 0.000 -3.153) 10.282 2.068 ( -29.823 0.000 3.919) 30.079 2.572 ( -4.874 0.000 7.193) 8.689 2.741 ( 4.963 0.000 -6.134) 7.891 3.220 ( -0.000 0.000 1.349) 1.349 3.306 ( -0.569 0.000 -0.529) 0.777 3.366 ( 1.068 0.000 -2.238) 2.479 3.498 ( 3.589 0.000 -2.895) 4.611 3.647 ( -1.921 0.000 -1.926) 2.720 3.959 ( 4.304 0.000 5.650) 7.103 4.243 ( 0.533 0.000 8.032) 8.050 4.296 ( 2.657 0.000 -0.544) 2.712 4.588 ( 0.586 0.000 -0.034) 0.587 4.633 ( 0.863 0.000 -4.043) 4.134 4.994 ( -1.366 0.000 -0.694) 1.532 5.064 ( -6.370 0.000 23.030) 23.895 5.507 ( 1.608 0.000 -1.376) 2.116 5.673 ( 6.837 0.000 -6.992) 9.780 5.694 ( 0.765 0.000 -0.401) 0.863 6.057 ( -6.721 0.000 7.706) 10.225 6.238 ( 2.141 0.000 6.959) 7.281 6.420 ( -1.009 0.000 -8.777) 8.834 6.448 ( -3.873 0.000 3.123) 4.976 6.538 ( 9.789 0.000 -4.549) 10.795 6.776 ( 2.903 0.000 -13.924) 14.223 7.096 ( 2.244 0.000 -4.589) 5.108 7.106 ( 0.076 0.000 -8.730) 8.730 7.275 ( 9.966 0.000 1.203) 10.038 7.297 ( -0.706 0.000 -5.377) 5.423 7.556 ( -4.258 0.000 1.084) 4.394 7.942 ( 6.444 0.000 -6.027) 8.824 7.952 ( -0.560 0.000 2.146) 2.217 8.082 ( 0.240 0.000 -0.229) 0.332 8.357 ( -1.550 0.000 1.153) 1.931 8.435 ( -4.332 0.000 1.406) 4.554 8.570 ( 1.514 0.000 0.231) 1.532 8.673 ( 4.027 0.000 -7.199) 8.248 8.814 ( 1.079 0.000 -5.233) 5.343 9.127 ( -1.672 0.000 -5.450) 5.701 9.302 ( 1.290 0.000 10.960) 11.036 9.771 ( -0.276 0.000 -2.056) 2.074 10.192 ( -1.411 0.000 14.382) 14.451 10.371 ( 0.699 0.000 25.654) 25.664 10.685 ( 4.047 0.000 34.256) 34.494 11.014 ( -1.004 0.000 -7.406) 7.474 11.512 ( 0.775 0.000 2.661) 2.772 11.752 ( 3.119 0.000 25.050) 25.244 12.503 ( 0.418 0.000 27.906) 27.909 12.957 ( 0.431 0.000 -1.652) 1.707 12.984 ( 0.838 0.000 -6.061) 6.118 13.588 ( -0.129 0.000 11.484) 11.484 13.786 ( 6.441 0.000 5.567) 8.513 14.061 ( 1.049 0.000 9.564) 9.622 14.152 ( -0.761 0.000 3.172) 3.262 14.411 ( 0.791 0.000 3.266) 3.360 15.364 ( 0.165 0.000 -0.689) 0.708 16.045 ( 3.577 0.000 -0.841) 3.675 16.946 ( 1.609 0.000 -17.104) 17.179 17.006 ( 0.337 0.000 -2.079) 2.106 17.727 ( 6.268 0.000 -10.544) 12.266 18.269 ( -0.788 0.000 2.281) 2.413 18.924 ( 0.402 0.000 -0.967) 1.047 20.092 ( 10.378 0.000 44.777) 45.964 20.474 ( -10.473 0.000 19.412) 22.057 21.537 ( 3.947 0.000 -2.347) 4.592 22.160 ( -3.626 0.000 28.726) 28.954 24.722 ( 0.413 0.000 -23.764) 23.767 25.659 ( -1.241 0.000 -22.823) 22.856 26.457 ( -9.392 0.000 -11.408) 14.777 27.371 ( 4.133 0.000 25.609) 25.940 ======================= Grid point 96 (34/140) ======================= q-point: (-0.17 0.00 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.609 ( -40.634 0.000 -4.868) 40.924 0.882 ( -23.274 0.000 27.468) 36.002 1.405 ( -36.480 0.000 35.549) 50.937 2.023 ( 14.110 0.000 0.214) 14.112 2.635 ( 4.579 0.000 13.673) 14.419 2.786 ( 2.738 0.000 -10.556) 10.905 3.259 ( 3.821 0.000 1.717) 4.189 3.316 ( 2.246 0.000 -0.017) 2.246 3.384 ( 1.134 0.000 -0.399) 1.202 3.539 ( -1.341 0.000 7.277) 7.399 3.567 ( -5.681 0.000 0.053) 5.681 3.982 ( 0.579 0.000 -11.670) 11.684 4.247 ( -2.338 0.000 -1.058) 2.566 4.360 ( 3.883 0.000 -1.273) 4.086 4.575 ( -2.299 0.000 1.705) 2.862 4.758 ( 12.657 0.000 0.027) 12.657 4.966 ( -8.914 0.000 18.125) 20.198 4.977 ( 0.453 0.000 -2.621) 2.660 5.551 ( 3.294 0.000 -1.651) 3.684 5.703 ( 0.078 0.000 0.067) 0.103 5.855 ( 6.020 0.000 11.550) 13.025 5.910 ( -6.061 0.000 5.915) 8.469 6.305 ( 0.312 0.000 8.181) 8.187 6.338 ( -2.280 0.000 -7.316) 7.663 6.381 ( -2.835 0.000 2.111) 3.535 6.680 ( 2.492 0.000 -6.059) 6.552 6.802 ( 7.542 0.000 -12.370) 14.488 7.087 ( 1.335 0.000 -14.178) 14.240 7.132 ( 3.196 0.000 -4.221) 5.294 7.251 ( -1.583 0.000 -5.440) 5.665 7.483 ( 7.264 0.000 6.349) 9.647 7.543 ( 3.133 0.000 -1.009) 3.292 7.942 ( -1.134 0.000 1.782) 2.112 8.092 ( 11.160 0.000 -10.152) 15.087 8.095 ( 1.108 0.000 -0.722) 1.322 8.327 ( -1.845 0.000 1.795) 2.574 8.329 ( -5.708 0.000 -0.975) 5.791 8.601 ( 1.306 0.000 0.030) 1.306 8.697 ( -0.633 0.000 -1.105) 1.273 8.811 ( 2.683 0.000 -6.120) 6.682 9.087 ( -1.064 0.000 -2.942) 3.128 9.378 ( 1.696 0.000 7.651) 7.837 9.743 ( -1.442 0.000 -2.293) 2.709 10.228 ( -0.290 0.000 10.666) 10.670 10.407 ( -3.256 0.000 10.565) 11.055 10.936 ( 1.849 0.000 18.508) 18.600 11.030 ( 8.770 0.000 -3.229) 9.346 11.538 ( 0.643 0.000 3.523) 3.581 11.866 ( -1.802 0.000 15.390) 15.496 12.891 ( 20.856 0.000 24.156) 31.914 12.959 ( 0.426 0.000 -1.644) 1.698 12.980 ( 2.338 0.000 -2.316) 3.291 13.677 ( 5.254 0.000 3.533) 6.332 14.011 ( 6.434 0.000 7.741) 10.066 14.150 ( -0.750 0.000 3.178) 3.265 14.240 ( 17.901 0.000 20.838) 27.471 14.510 ( 15.796 0.000 33.145) 36.716 15.365 ( 0.186 0.000 -0.708) 0.732 16.135 ( 5.432 0.000 -1.470) 5.628 16.887 ( -0.972 0.000 -16.211) 16.240 17.003 ( 0.300 0.000 -2.041) 2.063 17.588 ( -18.293 0.000 -32.013) 36.871 18.263 ( -0.737 0.000 2.246) 2.364 18.928 ( 0.371 0.000 -0.950) 1.020 20.324 ( -6.593 0.000 9.179) 11.302 20.844 ( 30.050 0.000 39.347) 49.509 21.772 ( 28.690 0.000 33.197) 43.877 22.314 ( 17.709 0.000 52.408) 55.319 24.627 ( -1.005 0.000 -27.599) 27.618 25.314 ( -31.148 0.000 -39.969) 50.673 26.212 ( -7.913 0.000 -2.196) 8.212 27.727 ( 22.179 0.000 31.537) 38.555 ======================= Grid point 97 (35/140) ======================= q-point: ( 0.00 0.08 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.476 ( 13.801 27.517 4.517) 31.113 0.934 ( -2.159 22.382 23.346) 32.414 1.964 ( -3.338 54.248 32.116) 63.131 2.150 ( 7.572 -0.960 -1.171) 7.722 2.370 ( -6.353 -13.620 16.885) 22.605 2.996 ( 1.364 11.133 -9.770) 14.875 3.150 ( -4.973 -8.549 3.980) 10.661 3.320 ( 3.764 0.880 0.797) 3.947 3.490 ( 4.916 1.604 -1.141) 5.296 3.592 ( -5.054 9.464 -2.344) 10.982 3.656 ( -3.760 13.002 -1.896) 13.667 3.936 ( 2.344 -0.199 -14.318) 14.510 4.257 ( -1.067 4.463 -3.137) 5.558 4.416 ( -2.399 -1.131 -0.549) 2.709 4.572 ( -4.658 5.871 0.561) 7.516 4.950 ( 1.718 7.558 9.423) 12.201 5.151 ( 8.566 11.527 4.379) 15.014 5.196 ( 3.978 15.452 -2.482) 16.148 5.697 ( -9.236 1.499 4.656) 10.451 5.730 ( 2.610 6.144 3.506) 7.540 5.926 ( -0.400 17.639 3.345) 17.957 6.134 ( -5.314 2.976 -0.918) 6.159 6.225 ( 7.721 0.578 2.295) 8.076 6.420 ( -1.374 4.801 -2.660) 5.658 6.518 ( 1.926 7.056 10.134) 12.498 6.563 ( 0.839 -5.650 -11.586) 12.918 6.868 ( -2.439 -0.896 -2.733) 3.772 6.899 ( -2.860 -5.688 1.180) 6.475 7.222 ( 2.927 4.214 -5.864) 7.791 7.294 ( 1.837 8.370 -7.012) 11.073 7.536 ( -4.817 2.541 1.842) 5.749 7.644 ( 1.082 1.426 5.799) 6.069 7.954 ( 2.478 -9.599 -1.033) 9.968 8.175 ( -2.020 1.966 -7.295) 7.821 8.296 ( 3.432 18.760 1.082) 19.102 8.372 ( 5.571 7.468 0.170) 9.319 8.408 ( 3.446 11.603 -4.281) 12.839 8.629 ( -2.171 13.227 -2.678) 13.669 8.879 ( -0.600 16.300 4.632) 16.956 9.029 ( 4.139 8.633 -8.487) 12.794 9.164 ( 1.486 11.128 -4.294) 12.020 9.465 ( -3.258 5.294 0.830) 6.271 9.803 ( 0.490 4.288 -2.089) 4.795 9.997 ( -1.943 -16.559 26.745) 31.516 10.343 ( -3.867 -0.268 10.409) 11.108 10.692 ( -13.546 -3.046 25.048) 28.638 10.956 ( 3.435 -3.357 -8.097) 9.414 11.447 ( -3.109 -6.262 4.761) 8.458 11.518 ( -2.622 -7.817 10.181) 13.101 12.071 ( -1.907 -15.854 13.909) 21.177 12.888 ( 1.517 -6.445 -6.150) 9.037 13.457 ( 0.560 -2.256 3.433) 4.146 13.702 ( 1.656 -9.609 -5.682) 11.286 13.894 ( -1.933 -7.463 2.784) 8.197 14.273 ( -0.119 -6.432 -2.525) 6.911 14.500 ( -0.692 27.323 -2.411) 27.438 15.356 ( -1.869 10.799 11.719) 16.046 15.830 ( 0.984 -29.555 -0.001) 29.572 15.999 ( 10.790 -20.427 -2.691) 23.258 16.947 ( -1.605 3.733 -1.318) 4.271 17.258 ( -5.494 28.379 -13.218) 31.785 18.151 ( -0.495 80.198 -86.167) 117.715 18.420 ( 0.672 17.077 3.891) 17.528 19.396 ( -5.050 37.913 -5.726) 38.674 20.260 ( -7.632 4.733 4.768) 10.168 21.028 ( -7.344 6.876 -8.951) 13.467 22.110 ( -2.389 2.938 18.969) 19.344 23.375 ( -71.629 1.134 -6.154) 71.902 24.435 ( 64.268 -10.716 2.521) 65.204 24.756 ( 12.046 0.982 -11.517) 16.695 26.141 ( 1.077 -3.224 2.193) 4.045 27.541 ( -7.321 -33.864 37.624) 51.146 ======================= Grid point 98 (36/140) ======================= q-point: ( 0.17 0.08 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( 18.073 14.594 2.541) 23.368 1.196 ( 18.114 11.481 20.022) 29.340 2.153 ( 6.263 30.229 17.543) 35.507 2.231 ( -0.105 -0.231 2.896) 2.907 2.377 ( 3.673 5.072 20.333) 21.276 3.015 ( 4.625 11.595 -8.006) 14.830 3.081 ( -1.902 -5.780 0.415) 6.099 3.345 ( -2.218 -2.217 1.526) 3.487 3.443 ( -6.479 6.936 0.724) 9.519 3.578 ( 1.486 10.261 -5.055) 11.535 3.605 ( 2.808 3.551 -8.763) 9.864 3.880 ( -2.833 6.239 -10.841) 12.825 4.226 ( -1.202 4.293 -2.127) 4.939 4.361 ( -2.510 -4.577 4.824) 7.107 4.506 ( -2.062 4.913 -2.086) 5.722 4.985 ( -1.147 10.527 10.333) 14.796 5.245 ( 2.250 17.676 1.229) 17.861 5.302 ( -3.655 7.071 13.374) 15.563 5.636 ( 4.831 0.388 -4.476) 6.597 5.776 ( 2.110 7.919 -1.866) 8.405 5.912 ( -1.500 13.503 3.609) 14.057 5.990 ( -7.274 3.603 -7.241) 10.878 6.239 ( -1.191 6.710 -8.524) 10.914 6.369 ( -3.313 10.597 -0.698) 11.125 6.557 ( 0.605 3.297 1.877) 3.842 6.658 ( 3.301 -4.787 1.268) 5.952 6.765 ( -3.859 -6.745 -3.488) 8.518 6.909 ( 1.454 -5.686 8.417) 10.261 7.232 ( 1.183 6.080 -7.909) 10.046 7.323 ( 3.260 5.624 -2.124) 6.839 7.471 ( -2.298 1.452 -0.784) 2.829 7.629 ( -4.393 -1.659 3.982) 6.157 7.987 ( 1.002 -6.512 0.456) 6.605 8.120 ( -1.580 1.396 -5.120) 5.537 8.340 ( 0.325 19.991 1.817) 20.076 8.429 ( 2.294 13.453 -4.066) 14.240 8.489 ( 4.525 6.376 -4.265) 8.907 8.599 ( 0.592 12.476 -2.553) 12.749 8.889 ( -0.390 16.535 6.177) 17.655 9.061 ( 2.335 8.574 -2.770) 9.308 9.182 ( 0.802 12.998 -11.149) 17.144 9.398 ( -2.028 2.525 1.604) 3.614 9.802 ( 0.111 4.413 -2.334) 4.993 9.989 ( -13.626 -16.381 34.505) 40.554 10.297 ( -6.777 0.215 13.847) 15.418 10.500 ( -9.719 6.141 19.739) 22.843 10.996 ( 3.367 -4.767 -6.394) 8.657 11.403 ( -2.313 -4.439 2.684) 5.679 11.502 ( -3.194 -7.232 10.274) 12.964 12.133 ( 2.288 -14.161 12.028) 18.720 12.885 ( 0.912 -6.281 -6.100) 8.803 13.484 ( 0.397 -2.100 4.033) 4.564 13.673 ( -2.376 -10.875 -5.853) 12.577 13.867 ( -1.531 -5.981 3.395) 7.045 14.262 ( 0.220 -6.255 -3.031) 6.954 14.467 ( -1.324 28.268 -3.996) 28.580 15.335 ( -6.835 23.876 15.120) 29.075 15.787 ( -9.303 -20.768 -0.163) 22.757 15.947 ( -19.055 13.295 5.830) 23.955 16.680 ( -13.201 14.269 -24.091) 30.955 17.120 ( 4.291 27.771 -16.188) 32.429 17.697 ( -9.101 60.282 -34.347) 69.975 18.450 ( 0.288 18.665 5.003) 19.326 19.367 ( 3.672 31.223 -2.922) 31.574 20.121 ( -7.771 7.231 4.324) 11.462 20.866 ( -8.553 7.884 15.974) 19.761 21.907 ( -34.248 11.979 16.317) 39.782 22.243 ( -17.798 3.897 25.362) 31.228 24.742 ( 6.833 -1.261 -15.406) 16.900 25.553 ( 30.556 -19.128 -23.237) 42.889 26.219 ( 7.556 -3.861 -0.151) 8.487 27.429 ( -14.923 -19.755 30.709) 39.446 ======================= Grid point 99 (37/140) ======================= q-point: ( 0.33 0.08 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( 9.989 12.978 -5.370) 17.235 1.667 ( 21.284 14.563 10.619) 27.890 2.123 ( -10.339 -0.435 16.443) 19.428 2.262 ( -2.132 2.489 2.854) 4.346 2.561 ( 2.331 9.044 1.990) 9.549 3.086 ( 3.584 3.668 -5.053) 7.199 3.156 ( 7.827 13.019 -4.243) 15.772 3.280 ( -1.667 -3.612 4.896) 6.308 3.357 ( -3.717 0.383 1.312) 3.960 3.562 ( 2.947 8.117 -12.062) 14.835 3.646 ( 3.144 5.762 -2.085) 6.887 3.831 ( 1.479 11.938 2.854) 12.363 4.207 ( -0.164 2.454 0.007) 2.460 4.330 ( -2.626 0.257 1.294) 2.939 4.498 ( 2.393 0.896 -1.703) 3.070 4.994 ( -2.916 7.465 9.532) 12.453 5.137 ( -15.664 10.214 15.246) 24.127 5.247 ( -3.677 14.657 4.538) 15.778 5.672 ( 0.208 1.353 -0.271) 1.395 5.772 ( -6.198 11.338 -2.383) 13.139 5.897 ( -0.853 10.174 -5.605) 11.647 6.004 ( 16.054 7.113 -9.605) 20.015 6.207 ( 1.167 8.922 -8.209) 12.180 6.308 ( -2.147 11.697 4.640) 12.765 6.555 ( -2.620 2.242 4.047) 5.316 6.628 ( -2.472 -4.212 -5.445) 7.314 6.724 ( -0.437 -1.133 2.282) 2.585 6.991 ( 2.736 -6.696 5.352) 8.998 7.206 ( -0.160 8.244 -7.686) 11.273 7.382 ( 0.232 5.236 -1.238) 5.386 7.407 ( -2.066 3.650 -4.189) 5.928 7.562 ( -2.104 -6.332 2.194) 7.024 8.004 ( 0.197 -3.002 2.087) 3.661 8.046 ( -4.941 1.862 -0.369) 5.293 8.329 ( -1.751 19.039 0.712) 19.132 8.440 ( 0.986 10.885 -6.787) 12.866 8.531 ( 2.034 10.786 -5.068) 12.090 8.627 ( 3.453 14.375 -4.719) 15.519 8.892 ( -3.030 15.443 2.665) 15.961 9.041 ( -5.236 12.950 -2.486) 14.188 9.146 ( 4.351 7.161 -4.510) 9.516 9.413 ( 0.267 6.755 0.784) 6.805 9.739 ( -11.034 -15.534 27.133) 33.155 9.865 ( -2.751 5.688 6.731) 9.232 10.246 ( -3.748 3.909 15.906) 16.802 10.512 ( 0.576 3.851 15.816) 16.288 11.022 ( 1.096 -5.663 -3.804) 6.909 11.390 ( 0.255 -3.887 1.033) 4.030 11.483 ( -2.755 -7.571 9.937) 12.793 12.227 ( 1.965 -13.504 9.471) 16.611 12.880 ( 1.204 -5.350 -6.491) 8.497 13.491 ( -1.372 -2.557 1.782) 3.406 13.591 ( -2.826 -10.139 -2.258) 10.765 13.866 ( -0.357 -5.724 3.980) 6.981 14.259 ( 0.852 -3.817 -3.986) 5.585 14.417 ( -1.789 35.957 -4.054) 36.229 15.091 ( -22.603 86.667 20.887) 91.969 15.476 ( -5.339 6.295 -4.276) 9.296 15.784 ( -4.874 -21.434 4.248) 22.388 16.591 ( 5.916 -26.574 -14.798) 30.986 17.224 ( 10.764 20.129 -10.073) 24.950 17.502 ( -4.296 33.107 -11.127) 35.190 18.466 ( -0.765 18.308 4.374) 18.839 19.454 ( 5.929 33.404 -6.066) 34.464 20.018 ( -5.570 10.339 10.414) 15.696 20.796 ( -11.684 5.141 36.369) 38.544 21.509 ( -7.052 7.267 -7.075) 12.353 22.179 ( -5.495 3.424 23.033) 23.925 24.800 ( 5.728 -0.063 -18.057) 18.943 25.713 ( 0.234 -14.909 -12.850) 19.684 26.409 ( 10.569 -5.868 -7.177) 14.058 27.293 ( -9.552 -9.173 21.613) 25.347 ======================= Grid point 100 (38/140) ======================= q-point: (-0.50 0.08 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( 9.127 8.614 -9.191) 15.556 1.886 ( -12.818 12.790 8.156) 19.860 2.081 ( -11.914 31.600 12.288) 35.937 2.101 ( 4.118 -10.962 0.954) 11.749 2.516 ( -2.868 -7.152 -1.522) 7.855 3.130 ( -1.574 9.866 -13.323) 16.653 3.159 ( 4.922 -3.329 -1.727) 6.188 3.278 ( -3.093 -3.860 -1.841) 5.278 3.308 ( -1.669 3.347 1.484) 4.023 3.650 ( 4.147 18.023 -4.764) 19.098 3.711 ( 4.422 5.007 -3.060) 7.348 3.931 ( 1.873 8.775 16.442) 18.731 4.216 ( 0.433 0.788 3.083) 3.212 4.308 ( 2.286 4.289 -3.391) 5.927 4.560 ( 3.802 0.667 -1.283) 4.068 4.833 ( -11.530 12.832 6.638) 18.484 5.049 ( -2.578 6.151 15.870) 17.215 5.184 ( -3.020 11.062 6.604) 13.233 5.670 ( -1.078 0.039 -2.199) 2.449 5.697 ( 0.355 14.528 -1.141) 14.577 5.834 ( -1.890 10.669 -5.572) 12.184 6.189 ( -0.192 8.867 -0.361) 8.876 6.267 ( 6.874 7.206 2.704) 10.320 6.359 ( 9.104 7.339 -8.364) 14.377 6.475 ( -5.567 -0.149 0.990) 5.657 6.595 ( 0.718 1.724 -2.942) 3.485 6.733 ( -0.355 0.151 3.081) 3.105 7.051 ( 1.925 -2.572 -0.035) 3.213 7.203 ( 2.927 7.995 -4.469) 9.615 7.277 ( -3.021 7.843 -7.996) 11.601 7.402 ( -0.558 7.718 -3.924) 8.676 7.564 ( -0.096 -7.320 4.947) 8.836 7.939 ( -6.419 0.354 8.370) 10.554 8.020 ( 2.256 1.074 -5.689) 6.214 8.284 ( -2.554 19.083 -1.112) 19.285 8.412 ( -0.823 9.053 -6.747) 11.321 8.538 ( 0.343 9.768 -2.919) 10.200 8.680 ( 3.250 16.522 -4.708) 17.484 8.788 ( -2.432 12.849 -8.541) 15.619 9.015 ( 0.163 14.313 5.107) 15.198 9.192 ( 0.763 2.591 -5.918) 6.505 9.396 ( -1.764 10.881 8.644) 14.008 9.715 ( -3.114 -18.907 23.082) 29.999 9.872 ( 1.319 6.338 -1.215) 6.587 10.270 ( -1.516 3.601 19.813) 20.194 10.596 ( 0.760 3.966 16.739) 17.219 11.005 ( -1.121 -5.054 -3.808) 6.427 11.414 ( 1.455 -4.808 1.418) 5.220 11.480 ( -1.699 -8.358 9.954) 13.108 12.256 ( -2.927 -13.487 8.014) 15.959 12.875 ( 1.065 -4.570 -6.998) 8.425 13.459 ( -1.050 -3.462 -1.021) 3.759 13.569 ( 0.389 -8.895 1.090) 8.970 13.876 ( -0.399 -5.936 4.381) 7.388 14.264 ( 1.617 1.082 -4.569) 4.966 14.398 ( 1.821 41.417 -1.438) 41.482 14.902 ( -4.213 74.463 15.887) 76.255 15.435 ( 0.283 2.870 -1.325) 3.173 15.728 ( -2.284 -24.611 3.814) 25.010 16.682 ( 7.962 -27.204 -9.663) 29.947 17.399 ( -3.031 26.461 -5.642) 27.225 17.449 ( 16.388 23.435 -9.107) 30.011 18.455 ( -1.795 16.757 3.248) 17.163 19.528 ( 4.769 35.598 -9.702) 37.203 20.011 ( -1.246 14.009 24.432) 28.191 20.674 ( -14.218 5.033 31.368) 34.805 21.481 ( 4.857 2.967 -10.025) 11.528 22.180 ( -4.344 4.314 24.638) 25.388 24.804 ( 2.676 0.958 -21.361) 21.549 25.616 ( -3.266 -13.098 -12.113) 18.137 26.502 ( 1.482 -6.833 -8.540) 11.037 27.232 ( -4.896 -6.400 18.411) 20.097 ======================= Grid point 101 (39/140) ======================= q-point: (-0.33 0.08 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( -8.882 13.740 3.087) 16.650 1.509 ( -29.469 3.855 -8.738) 30.978 1.770 ( -2.496 2.774 6.302) 7.324 2.231 ( -3.566 32.416 13.012) 35.112 2.466 ( -4.129 -5.258 4.007) 7.795 3.069 ( 0.695 17.298 -9.843) 19.914 3.198 ( -2.677 -7.179 2.541) 8.072 3.246 ( 0.373 -6.307 1.880) 6.592 3.282 ( 1.670 5.497 -1.005) 5.832 3.644 ( -0.927 12.959 0.439) 13.000 3.756 ( 0.298 9.175 -2.235) 9.448 3.997 ( 0.943 3.013 2.559) 4.064 4.254 ( 1.516 2.128 9.344) 9.702 4.380 ( 4.478 6.589 -3.134) 8.561 4.610 ( 2.024 2.403 -1.206) 3.366 4.716 ( -1.256 6.807 -3.722) 7.859 5.070 ( -2.296 5.045 15.453) 16.417 5.184 ( -1.805 13.628 5.941) 14.976 5.615 ( -0.177 2.583 -6.996) 7.459 5.777 ( 6.422 11.258 -0.969) 12.997 5.824 ( 2.090 11.586 2.259) 11.988 6.143 ( -6.033 9.103 3.912) 11.600 6.342 ( -1.521 8.842 7.116) 11.451 6.376 ( -1.111 -1.110 -2.432) 2.895 6.478 ( 2.932 0.444 -6.862) 7.475 6.644 ( 4.226 5.456 -0.751) 6.942 6.734 ( 0.767 0.206 0.074) 0.798 7.070 ( 0.313 2.120 -1.412) 2.566 7.141 ( -0.838 0.376 -13.034) 13.066 7.355 ( -0.137 7.285 -7.818) 10.687 7.384 ( 8.335 11.408 2.710) 14.386 7.585 ( 0.079 -0.743 6.506) 6.549 7.894 ( -0.602 -2.535 3.630) 4.468 8.064 ( 4.971 -0.342 -6.607) 8.275 8.235 ( -1.509 20.558 -1.007) 20.638 8.365 ( -0.956 8.854 -6.472) 11.009 8.500 ( -3.909 4.161 -1.329) 5.862 8.690 ( 0.408 18.105 -3.273) 18.403 8.790 ( 4.516 11.903 -8.215) 15.151 9.029 ( -1.249 12.726 2.377) 13.007 9.155 ( -0.486 3.489 -3.730) 5.130 9.436 ( 1.304 11.299 9.093) 14.561 9.755 ( -1.428 -16.160 16.684) 23.271 9.893 ( 0.600 2.879 2.143) 3.639 10.334 ( -0.874 1.521 19.861) 19.938 10.674 ( -0.321 4.129 20.672) 21.083 10.961 ( -0.662 -3.769 -6.795) 7.798 11.448 ( 1.013 -5.245 2.017) 5.710 11.498 ( -1.115 -10.210 11.823) 15.661 12.188 ( -6.799 -13.820 8.921) 17.799 12.868 ( 1.346 -4.457 -7.158) 8.539 13.445 ( -0.751 -2.614 1.435) 3.075 13.608 ( 3.629 -9.287 -2.648) 10.316 13.889 ( -0.120 -6.777 4.533) 8.154 14.280 ( 1.256 -2.991 -3.093) 4.482 14.462 ( 4.015 35.070 -1.527) 35.332 15.040 ( 11.456 61.810 14.985) 64.624 15.463 ( 4.331 7.652 -3.497) 9.462 15.732 ( 1.405 -27.518 2.366) 27.656 16.810 ( 8.269 -15.958 -7.019) 19.296 17.338 ( -1.340 24.130 -3.369) 24.401 17.790 ( 24.797 38.691 -21.956) 50.931 18.428 ( -2.072 14.592 2.887) 15.018 19.556 ( 2.460 37.675 -11.806) 39.558 20.252 ( 13.562 19.056 46.229) 51.809 20.540 ( -8.903 7.111 24.908) 27.390 21.546 ( 4.625 1.410 -3.508) 5.974 22.216 ( -2.336 5.499 27.750) 28.386 24.740 ( 0.604 1.716 -23.255) 23.326 25.495 ( -4.508 -14.745 -18.990) 24.462 26.387 ( -8.927 -6.465 -9.044) 14.258 27.262 ( -0.496 -9.419 23.425) 25.253 ======================= Grid point 102 (40/140) ======================= q-point: (-0.17 0.08 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( -33.412 19.914 -13.056) 41.029 1.079 ( -18.634 17.445 17.308) 30.841 1.920 ( 7.826 -4.658 7.568) 11.841 2.096 ( -12.968 52.088 22.691) 58.277 2.413 ( -3.738 -10.864 9.851) 15.135 3.034 ( -0.677 13.448 -9.682) 16.585 3.215 ( -2.768 -6.208 7.456) 10.089 3.227 ( 3.674 -1.148 -1.426) 4.104 3.374 ( 6.408 1.835 -1.167) 6.767 3.662 ( 0.091 9.644 4.324) 10.569 3.712 ( -2.763 10.964 -3.303) 11.779 3.969 ( -1.438 -0.447 -8.126) 8.265 4.297 ( -1.849 4.136 3.074) 5.475 4.414 ( 2.515 3.607 -5.331) 6.910 4.657 ( -2.134 6.569 0.266) 6.912 4.774 ( 11.305 2.312 -0.570) 11.553 5.067 ( -3.724 9.822 15.493) 18.719 5.165 ( 0.953 16.413 -3.797) 16.873 5.641 ( 4.047 4.995 -1.500) 6.601 5.842 ( -1.381 4.220 5.607) 7.152 5.922 ( -0.522 10.622 5.804) 12.116 6.035 ( 1.213 14.221 2.764) 14.538 6.250 ( -5.464 0.513 -0.107) 5.489 6.429 ( 2.380 3.799 0.678) 4.533 6.472 ( -0.678 5.435 1.279) 5.625 6.637 ( -2.428 -5.613 -5.715) 8.370 6.819 ( 4.907 4.281 2.773) 7.078 7.005 ( -3.419 -3.252 -9.149) 10.294 7.163 ( 4.858 3.706 -6.225) 8.723 7.309 ( -0.096 7.469 -8.366) 11.215 7.547 ( 5.610 7.044 3.659) 9.720 7.607 ( -1.510 1.976 5.380) 5.927 7.916 ( 1.790 -9.530 -1.845) 9.871 8.163 ( 7.086 6.106 -4.618) 10.432 8.241 ( 2.375 17.557 -0.475) 17.723 8.318 ( -1.805 3.980 -5.007) 6.646 8.407 ( -2.755 9.090 -1.046) 9.556 8.676 ( -1.019 16.709 -2.701) 16.957 8.851 ( 3.210 13.301 -1.919) 13.816 9.000 ( 0.579 9.898 -5.628) 11.401 9.160 ( 0.804 8.287 -0.737) 8.358 9.486 ( 0.244 9.071 4.065) 9.943 9.791 ( -0.172 -6.370 7.541) 9.873 9.924 ( -0.396 -6.938 14.742) 16.297 10.367 ( -3.017 -0.108 13.778) 14.104 10.744 ( -3.111 -0.199 24.786) 24.982 10.938 ( 1.712 -3.046 -8.710) 9.384 11.465 ( -0.504 -5.777 3.455) 6.750 11.519 ( -1.960 -10.406 11.940) 15.959 12.098 ( -6.060 -15.445 12.207) 20.598 12.875 ( 2.202 -5.372 -6.709) 8.873 13.442 ( -0.334 -2.396 2.736) 3.652 13.668 ( 3.764 -8.939 -5.187) 10.999 13.903 ( -0.409 -7.722 3.776) 8.606 14.283 ( 0.244 -5.602 -2.321) 6.069 14.506 ( 1.086 28.763 -1.592) 28.828 15.302 ( 3.870 17.734 14.265) 23.086 15.673 ( 20.635 14.050 -9.541) 26.725 15.789 ( 3.232 -31.785 1.449) 31.982 16.921 ( 4.712 -1.773 -4.248) 6.587 17.319 ( 0.451 23.101 -4.129) 23.472 18.160 ( 26.679 56.933 -61.997) 88.299 18.408 ( -1.156 13.158 3.953) 13.788 19.517 ( -1.906 40.666 -11.711) 42.361 20.374 ( -7.282 5.141 10.339) 13.651 21.011 ( 19.439 13.801 17.850) 29.782 21.847 ( 28.297 6.484 26.569) 39.353 22.467 ( 32.731 13.663 48.015) 59.694 24.648 ( -1.444 1.868 -27.902) 28.002 25.095 ( -32.902 -17.746 -25.445) 45.221 26.178 ( -6.678 -3.405 -1.648) 7.675 27.405 ( 2.705 -21.437 33.651) 39.991 ======================= Grid point 103 (41/140) ======================= q-point: ( 0.00 0.15 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( -0.844 36.637 -6.993) 37.308 1.509 ( 0.376 29.427 7.638) 30.405 1.942 ( 7.445 -5.486 1.467) 9.364 2.278 ( -1.621 2.550 9.208) 9.691 2.984 ( -1.857 1.406 9.536) 9.816 3.076 ( 1.259 -1.993 1.111) 2.607 3.191 ( -3.327 43.063 11.140) 44.605 3.458 ( 4.029 7.728 0.842) 8.756 3.612 ( -1.474 13.376 -1.134) 13.505 3.755 ( -6.710 7.022 -2.925) 10.143 3.882 ( -2.423 4.165 -5.779) 7.524 4.023 ( 4.846 14.166 -4.271) 15.569 4.340 ( -1.899 2.915 0.191) 3.485 4.470 ( -1.265 6.767 -3.812) 7.869 4.717 ( -6.607 7.703 1.315) 10.233 5.073 ( 6.709 5.492 5.330) 10.177 5.432 ( 7.742 10.995 -0.202) 13.449 5.539 ( 2.808 17.199 -4.981) 18.125 5.737 ( -8.356 1.950 4.699) 9.782 5.832 ( 1.313 5.208 5.797) 7.903 6.107 ( -3.559 1.481 5.733) 6.908 6.238 ( 0.644 0.288 -1.658) 1.802 6.409 ( -0.601 6.009 0.052) 6.039 6.415 ( 3.143 2.159 -2.138) 4.372 6.477 ( 2.762 2.137 -1.957) 4.003 6.718 ( -1.757 12.960 9.566) 16.204 6.828 ( -4.292 0.135 -4.639) 6.322 6.986 ( -0.876 9.683 -3.425) 10.308 7.288 ( 1.354 1.316 -9.329) 9.518 7.441 ( -2.888 -6.791 2.995) 7.964 7.535 ( 1.714 7.575 -3.704) 8.605 7.785 ( 0.073 10.878 -0.568) 10.894 7.916 ( 0.592 8.828 4.738) 10.037 8.196 ( -0.785 3.020 -7.623) 8.237 8.506 ( 3.549 6.637 5.061) 9.070 8.752 ( 5.362 21.102 -6.998) 22.869 8.822 ( -0.358 23.176 2.905) 23.360 9.037 ( 0.603 25.970 -3.855) 26.262 9.241 ( 2.227 17.119 -4.225) 17.773 9.334 ( -1.573 19.306 4.741) 19.942 9.543 ( 4.552 29.037 -5.540) 29.909 9.589 ( -4.280 9.818 0.161) 10.712 9.818 ( -0.024 12.499 5.312) 13.581 10.181 ( 0.710 18.073 0.503) 18.094 10.427 ( -3.928 9.723 12.777) 16.530 10.842 ( -3.162 9.257 -4.946) 10.961 10.946 ( -2.479 6.221 6.860) 9.587 11.371 ( -1.780 -4.692 5.314) 7.309 11.400 ( -1.274 1.711 5.551) 5.946 11.832 ( -0.058 -8.310 6.508) 10.555 12.771 ( 1.482 -4.481 -8.578) 9.790 13.344 ( 0.385 -8.078 4.969) 9.492 13.456 ( 0.745 -13.320 -5.105) 14.284 13.734 ( -1.549 -9.095 5.221) 10.601 14.025 ( -0.402 -15.742 0.010) 15.747 14.805 ( 0.943 -13.038 -10.755) 16.928 14.998 ( 0.321 -27.294 1.885) 27.361 15.416 ( -0.432 -10.033 5.803) 11.599 16.179 ( 4.177 33.781 2.253) 34.112 17.221 ( -2.506 21.805 4.065) 22.322 17.780 ( 0.335 22.727 -9.099) 24.483 18.591 ( -1.667 7.988 -2.873) 8.651 19.152 ( 14.231 22.941 -35.408) 44.526 20.081 ( -8.379 18.268 -14.367) 24.705 20.512 ( -5.561 26.391 8.509) 28.281 21.244 ( -4.302 14.263 -9.005) 17.408 22.205 ( -0.631 6.691 17.618) 18.857 23.329 ( -35.875 -5.908 -5.653) 36.795 24.258 ( 29.562 -6.272 4.809) 30.600 24.776 ( 9.433 0.656 -12.924) 16.014 26.045 ( 0.665 -6.163 1.369) 6.348 27.038 ( -4.897 -18.806 27.637) 33.785 ======================= Grid point 104 (42/140) ======================= q-point: ( 0.17 0.15 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( 12.365 19.655 -8.106) 24.595 1.603 ( 4.741 25.013 9.373) 27.129 2.091 ( 6.580 -5.192 2.649) 8.790 2.293 ( -1.106 7.982 10.986) 13.625 2.956 ( -3.564 -0.911 1.599) 4.011 3.123 ( 2.604 3.819 -0.753) 4.684 3.290 ( 6.315 39.543 18.180) 43.978 3.486 ( -1.441 11.434 -3.659) 12.092 3.532 ( -6.446 5.130 3.378) 8.904 3.638 ( -1.766 1.822 -9.041) 9.390 3.835 ( 0.367 11.484 -8.388) 14.226 4.051 ( -0.658 10.666 -1.042) 10.737 4.327 ( 1.176 2.791 0.358) 3.050 4.412 ( -2.989 12.118 -1.385) 12.558 4.617 ( -3.028 6.184 -1.414) 7.029 5.164 ( 0.835 7.045 6.263) 9.464 5.505 ( -5.764 8.725 9.344) 14.024 5.577 ( 0.677 10.662 3.657) 11.292 5.672 ( 1.423 5.034 -8.806) 10.243 5.873 ( 3.522 4.605 5.104) 7.724 6.008 ( -3.374 2.000 -0.232) 3.929 6.228 ( -1.555 11.015 -1.549) 11.232 6.432 ( 2.528 4.493 -0.892) 5.232 6.450 ( -0.069 -5.297 -0.369) 5.310 6.531 ( 2.393 4.285 -2.775) 5.639 6.747 ( -1.054 11.640 10.110) 15.453 6.775 ( 1.548 2.857 -5.109) 6.055 6.934 ( -2.387 11.327 -2.320) 11.806 7.298 ( 3.288 -1.581 -6.216) 7.207 7.389 ( -3.045 -2.509 3.614) 5.351 7.550 ( 0.732 5.597 -0.182) 5.647 7.714 ( -5.599 12.757 -0.755) 13.952 7.976 ( 2.961 6.672 -0.600) 7.325 8.190 ( 2.755 6.370 -9.730) 11.951 8.554 ( -0.456 2.657 8.628) 9.039 8.826 ( 0.247 24.820 -3.079) 25.012 8.843 ( 4.776 21.373 -0.367) 21.903 9.042 ( 1.477 28.365 -2.976) 28.559 9.269 ( 1.863 13.335 -2.376) 13.673 9.326 ( -0.825 16.541 4.001) 17.038 9.484 ( -4.516 13.325 -0.907) 14.098 9.568 ( -0.379 30.645 -5.978) 31.225 9.818 ( -2.588 9.069 3.187) 9.955 10.195 ( -0.340 19.215 2.945) 19.443 10.403 ( -3.762 10.393 12.615) 16.773 10.728 ( -6.780 14.893 5.327) 17.209 10.937 ( 0.561 0.497 -2.616) 2.721 11.341 ( -1.903 -3.918 1.635) 4.652 11.388 ( -2.940 1.244 8.191) 8.791 11.898 ( 3.538 -8.746 5.851) 11.102 12.764 ( 1.564 -4.889 -8.428) 9.869 13.373 ( 0.127 -7.987 5.512) 9.705 13.418 ( -2.183 -13.053 -4.989) 14.144 13.725 ( -1.275 -8.525 4.989) 9.960 14.018 ( -0.221 -15.538 -0.403) 15.545 14.763 ( -0.423 -12.977 -10.250) 16.542 15.034 ( 2.322 -24.982 2.679) 25.233 15.422 ( -1.403 -12.125 4.818) 13.122 16.288 ( 5.539 33.265 5.080) 34.103 17.081 ( -13.989 24.384 1.646) 28.160 17.738 ( 0.614 25.390 -10.465) 27.468 18.473 ( -7.053 13.098 -16.319) 22.082 19.219 ( 3.683 38.792 -31.365) 50.022 19.846 ( -5.852 13.312 -8.285) 16.737 20.457 ( -4.188 28.274 12.671) 31.265 21.120 ( -6.734 16.615 3.069) 18.189 22.172 ( -17.525 11.943 9.652) 23.301 22.394 ( -31.470 10.875 18.503) 38.092 24.691 ( 10.415 -4.345 -12.541) 16.870 25.154 ( 24.367 -17.481 -10.349) 31.724 26.101 ( 5.163 -7.687 -0.090) 9.260 27.054 ( -4.580 -17.043 24.646) 30.313 ======================= Grid point 105 (43/140) ======================= q-point: ( 0.33 0.15 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( 5.834 11.249 -6.749) 14.357 1.808 ( 12.855 9.563 2.881) 16.279 2.219 ( 5.631 -0.102 3.994) 6.905 2.304 ( -2.666 10.689 9.313) 14.426 2.890 ( -3.455 5.175 0.764) 6.269 3.151 ( -1.292 12.203 -1.536) 12.367 3.252 ( -11.237 6.839 5.538) 14.273 3.396 ( -5.644 4.619 -3.742) 8.198 3.518 ( -0.166 9.634 -6.537) 11.644 3.672 ( 8.746 9.516 5.536) 14.061 3.879 ( 6.897 13.706 -3.763) 15.798 4.033 ( -0.285 5.822 3.773) 6.944 4.360 ( -0.788 12.212 -2.146) 12.425 4.408 ( 5.548 10.023 0.849) 11.488 4.579 ( 0.250 7.023 -4.966) 8.605 5.175 ( -2.332 9.844 4.737) 11.170 5.393 ( -8.713 10.698 13.962) 19.629 5.473 ( -10.354 7.401 4.789) 13.599 5.682 ( 0.808 1.222 -0.311) 1.498 5.937 ( 2.341 2.303 -3.013) 4.457 6.065 ( 2.944 8.584 -2.711) 9.471 6.228 ( 5.993 11.562 -3.258) 13.424 6.384 ( -5.026 -3.891 -0.336) 6.365 6.475 ( 0.203 5.747 -3.331) 6.646 6.568 ( 3.150 6.686 -2.245) 7.724 6.675 ( -4.697 10.191 3.504) 11.755 6.798 ( -0.440 3.448 4.352) 5.570 6.981 ( 6.870 9.367 -2.882) 11.968 7.340 ( 2.165 -1.477 -2.852) 3.874 7.368 ( -1.368 -2.131 5.857) 6.381 7.574 ( 0.825 10.127 2.778) 10.533 7.608 ( -3.070 12.383 -3.041) 13.116 7.994 ( -1.281 4.714 0.889) 4.965 8.189 ( 1.535 11.887 -12.618) 17.404 8.580 ( -0.576 0.723 7.435) 7.493 8.795 ( -1.249 25.408 -5.794) 26.090 8.915 ( 1.924 25.234 1.555) 25.355 9.066 ( 1.842 25.156 -3.729) 25.498 9.289 ( 0.442 10.384 -0.051) 10.393 9.329 ( -1.231 14.467 2.567) 14.745 9.370 ( -5.657 18.400 -1.290) 19.294 9.564 ( 3.072 25.336 -5.480) 26.103 9.729 ( -6.764 13.462 3.848) 15.550 10.185 ( -0.672 20.828 -1.203) 20.874 10.390 ( -3.269 11.089 15.983) 19.726 10.689 ( -0.225 13.594 9.629) 16.660 10.940 ( 0.682 -1.070 -2.794) 3.069 11.324 ( -1.113 -5.416 3.729) 6.670 11.358 ( -2.341 1.139 4.233) 4.970 11.986 ( 2.559 -9.537 4.488) 10.847 12.767 ( 2.098 -5.041 -8.284) 9.922 13.341 ( -2.321 -10.730 -4.927) 12.033 13.394 ( -1.153 -8.861 6.060) 10.797 13.727 ( -0.730 -8.458 5.035) 9.870 14.016 ( 0.298 -15.621 -0.818) 15.645 14.721 ( 0.454 -15.680 -9.281) 18.227 15.101 ( 2.645 -19.880 3.562) 20.369 15.400 ( -2.287 -12.627 3.883) 13.407 16.437 ( 7.684 31.113 5.038) 32.442 16.690 ( -22.906 40.067 -5.054) 46.428 17.763 ( 5.695 24.165 -7.411) 25.910 18.250 ( -4.387 26.386 -20.539) 33.724 19.091 ( -3.231 41.854 -17.269) 45.392 19.840 ( 3.661 8.296 -0.018) 9.068 20.468 ( -1.110 29.298 20.406) 35.721 21.005 ( -10.301 16.302 19.890) 27.703 21.738 ( -13.159 15.023 -4.910) 20.565 22.293 ( -4.171 7.783 21.536) 23.276 24.792 ( 6.938 -1.106 -16.629) 18.052 25.362 ( 2.617 -17.975 -7.508) 19.655 26.234 ( 7.822 -11.220 -4.864) 14.517 27.057 ( -4.104 -13.527 18.505) 23.287 ======================= Grid point 106 (44/140) ======================= q-point: (-0.50 0.15 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( 2.793 7.228 -7.180) 10.564 1.940 ( -2.359 1.243 -0.241) 2.677 2.199 ( -9.996 19.526 4.514) 22.395 2.355 ( 1.619 -5.741 -1.091) 6.064 2.850 ( 1.712 21.532 6.932) 22.685 3.026 ( -3.219 2.867 -1.248) 4.487 3.195 ( -1.047 0.954 3.908) 4.157 3.290 ( -3.008 7.261 -3.374) 8.553 3.504 ( 1.955 7.039 -3.933) 8.297 3.831 ( 5.271 7.172 0.089) 8.901 3.985 ( 2.610 11.531 -1.363) 11.901 4.099 ( 2.936 5.638 12.161) 13.723 4.345 ( -0.057 14.817 -0.597) 14.829 4.491 ( 3.938 13.833 -10.949) 18.076 4.614 ( 4.526 4.944 -1.304) 6.829 5.078 ( -8.514 8.350 0.546) 11.938 5.259 ( -12.067 13.051 17.495) 24.940 5.386 ( 1.127 9.444 8.183) 12.547 5.680 ( -0.677 1.514 0.973) 1.923 5.956 ( 1.287 6.701 -7.379) 10.050 6.058 ( -0.412 10.174 -2.433) 10.469 6.279 ( -4.487 -6.068 1.001) 7.613 6.356 ( 5.856 7.626 -3.219) 10.140 6.443 ( -0.660 2.090 -1.334) 2.566 6.618 ( 1.507 11.518 -0.759) 11.641 6.687 ( 2.527 4.026 -1.832) 5.094 6.805 ( 0.190 8.148 7.743) 11.242 7.099 ( 6.234 7.689 -5.941) 11.545 7.318 ( -3.901 5.366 -1.883) 6.897 7.382 ( -0.386 -8.035 9.401) 12.373 7.598 ( 3.829 14.928 -5.875) 16.493 7.606 ( 0.323 13.017 6.772) 14.676 7.945 ( -4.217 3.838 5.026) 7.601 8.161 ( 2.287 13.947 -15.390) 20.895 8.568 ( -3.632 -0.027 4.548) 5.821 8.741 ( -1.123 25.369 -8.239) 26.697 8.926 ( -1.260 27.227 1.014) 27.275 9.055 ( -0.903 19.961 -5.892) 20.832 9.241 ( -1.644 17.319 -2.579) 17.587 9.305 ( -0.477 15.388 1.011) 15.429 9.341 ( -0.882 18.133 1.945) 18.258 9.624 ( 4.663 16.297 -6.089) 18.011 9.665 ( -1.373 18.374 8.853) 20.441 10.171 ( 0.492 20.255 -4.536) 20.763 10.408 ( -2.310 11.001 19.129) 22.188 10.764 ( 2.870 12.727 10.678) 16.860 10.937 ( -0.105 -0.182 -1.769) 1.782 11.313 ( -2.574 -5.752 9.662) 11.536 11.353 ( 1.307 -0.631 -2.319) 2.736 12.012 ( -1.797 -9.831 3.531) 10.599 12.773 ( 1.878 -4.783 -8.347) 9.802 13.305 ( 0.803 -9.658 -4.433) 10.658 13.386 ( -1.817 -9.269 5.478) 10.919 13.733 ( -0.944 -8.644 5.318) 10.193 14.023 ( 0.662 -15.873 -0.739) 15.904 14.715 ( 2.808 -18.017 -8.690) 20.200 15.129 ( -1.992 -18.589 3.351) 18.994 15.387 ( -0.416 -10.753 4.279) 11.580 16.283 ( -13.170 46.029 -9.465) 48.803 16.643 ( 11.313 30.692 5.449) 33.162 17.825 ( 1.320 19.992 -5.153) 20.687 18.258 ( 12.913 29.231 -13.370) 34.640 18.990 ( -0.074 35.507 -16.621) 39.205 19.933 ( 5.412 13.216 5.422) 15.275 20.590 ( 4.257 32.023 27.680) 42.542 20.871 ( -12.029 16.842 22.022) 30.221 21.607 ( 0.862 10.234 -11.703) 15.570 22.312 ( -2.941 8.512 22.272) 24.024 24.824 ( 3.853 0.617 -20.272) 20.644 25.299 ( -4.361 -16.518 -6.709) 18.354 26.302 ( 0.713 -12.689 -6.624) 14.332 27.046 ( -4.021 -11.734 15.613) 19.940 ======================= Grid point 107 (45/140) ======================= q-point: (-0.33 0.15 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( -3.277 6.726 -8.065) 11.001 1.794 ( -7.236 5.313 2.588) 9.343 1.934 ( -16.634 26.450 -0.775) 31.256 2.306 ( -3.257 -3.960 3.372) 6.137 2.982 ( 3.155 -1.511 2.322) 4.199 3.040 ( 2.384 9.525 4.412) 10.765 3.220 ( 3.185 3.256 -1.434) 4.775 3.268 ( 1.751 23.913 3.225) 24.193 3.548 ( 3.348 10.874 -2.316) 11.611 3.882 ( 1.513 8.038 -4.527) 9.348 3.978 ( -3.043 7.782 2.555) 8.738 4.121 ( -6.570 11.963 10.395) 17.156 4.360 ( 0.763 9.838 2.111) 10.091 4.534 ( 3.159 8.195 -6.804) 11.110 4.685 ( 5.299 5.855 -2.269) 8.217 4.899 ( -6.579 11.473 -1.707) 13.336 5.210 ( -0.240 7.191 14.379) 16.079 5.479 ( 3.936 13.211 5.548) 14.859 5.678 ( 1.160 4.091 -3.297) 5.380 5.936 ( -0.493 7.448 -2.871) 7.997 6.037 ( -1.029 1.693 0.297) 2.003 6.244 ( 0.770 -3.803 -0.972) 4.000 6.407 ( -3.021 0.904 -0.033) 3.154 6.444 ( 3.246 12.083 -3.794) 13.074 6.582 ( -3.962 1.088 2.314) 4.716 6.722 ( 1.858 11.323 -3.856) 12.105 6.868 ( 1.547 8.091 8.187) 11.614 7.151 ( -0.325 1.335 -10.912) 10.998 7.222 ( -1.549 11.167 2.343) 11.515 7.428 ( 0.928 -8.765 9.811) 13.189 7.588 ( -1.225 10.243 -1.617) 10.442 7.689 ( 3.165 13.660 -3.524) 14.458 7.907 ( -1.321 8.405 6.973) 11.001 8.193 ( 7.350 13.041 -11.376) 18.802 8.466 ( -8.084 0.065 3.404) 8.771 8.700 ( 1.042 24.028 -10.297) 26.162 8.883 ( -2.843 25.721 0.131) 25.878 9.030 ( 1.247 20.042 -5.829) 20.909 9.255 ( 2.563 11.254 -7.133) 13.569 9.286 ( 0.526 27.607 0.792) 27.623 9.344 ( -0.895 16.215 8.340) 18.256 9.676 ( 3.008 13.075 -6.134) 14.753 9.720 ( 1.740 19.782 9.384) 21.964 10.167 ( 1.008 18.972 -4.954) 19.634 10.441 ( -2.647 10.341 18.920) 21.724 10.860 ( 3.067 11.763 3.707) 12.709 10.927 ( -0.858 3.199 4.255) 5.392 11.319 ( -0.854 -6.022 9.973) 11.682 11.375 ( 1.569 -1.005 -1.334) 2.292 11.950 ( -5.467 -9.162 3.654) 11.277 12.772 ( 1.661 -4.312 -8.442) 9.624 13.320 ( 0.697 -8.645 0.010) 8.673 13.387 ( 1.425 -11.208 0.217) 11.300 13.735 ( -1.053 -9.033 5.588) 10.674 14.031 ( 0.296 -16.083 -0.186) 16.087 14.755 ( 4.618 -18.441 -9.034) 21.048 15.068 ( -4.166 -20.474 1.821) 20.973 15.400 ( -0.800 -8.372 5.560) 10.082 16.113 ( -1.939 42.953 -6.537) 43.491 16.916 ( 13.863 25.880 3.749) 29.597 17.802 ( -0.210 20.876 -5.578) 21.610 18.501 ( 11.508 14.967 -6.823) 20.075 18.965 ( 7.857 32.518 -31.189) 45.737 20.105 ( 8.448 19.803 4.343) 21.964 20.727 ( -10.036 19.632 14.377) 26.322 20.936 ( 19.634 33.828 37.158) 53.949 21.632 ( 6.718 8.086 -6.290) 12.251 22.373 ( 0.616 9.369 24.280) 26.033 24.781 ( 1.022 1.879 -21.963) 22.067 25.142 ( -9.840 -18.138 -10.676) 23.233 26.209 ( -6.701 -10.910 -5.342) 13.873 27.032 ( -4.268 -12.836 17.870) 22.413 ======================= Grid point 108 (46/140) ======================= q-point: (-0.17 0.15 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( -8.060 30.025 -4.721) 31.444 1.613 ( -13.554 26.584 2.830) 29.974 1.809 ( 5.220 -0.340 -0.268) 5.238 2.280 ( -1.901 -1.472 6.655) 7.076 3.001 ( -1.985 -2.491 4.595) 5.591 3.061 ( -1.067 2.298 6.074) 6.582 3.237 ( -2.011 24.935 2.558) 25.146 3.365 ( 4.391 20.223 2.681) 20.867 3.601 ( 2.627 15.291 -2.003) 15.643 3.880 ( -5.179 10.283 4.235) 12.268 3.927 ( 3.214 10.191 -4.402) 11.557 3.997 ( -6.574 5.042 -0.101) 8.286 4.370 ( -1.320 2.539 3.670) 4.654 4.506 ( -0.837 5.647 -7.546) 9.462 4.816 ( -2.927 9.355 -0.027) 9.802 4.870 ( 11.032 6.980 1.306) 13.120 5.304 ( 3.788 11.331 9.731) 15.409 5.525 ( 1.497 16.508 -7.289) 18.108 5.736 ( 5.469 5.217 0.703) 7.591 5.884 ( -6.944 1.740 6.141) 9.431 6.063 ( 3.104 0.281 4.356) 5.356 6.257 ( -0.551 -5.402 -1.630) 5.669 6.358 ( 0.969 7.361 -2.893) 7.968 6.440 ( -0.161 14.145 -6.175) 15.435 6.510 ( -4.872 -5.207 3.606) 7.991 6.728 ( -1.159 13.827 3.240) 14.249 6.900 ( -2.245 3.543 7.931) 8.971 7.041 ( -3.206 5.113 -9.354) 11.131 7.273 ( 3.733 6.633 -4.562) 8.873 7.465 ( -0.783 -10.478 3.997) 11.242 7.542 ( -0.719 10.046 -7.187) 12.373 7.729 ( 3.676 7.637 -1.242) 8.567 7.919 ( -1.773 12.477 7.682) 14.759 8.284 ( -2.124 3.762 -9.231) 10.192 8.375 ( 4.793 8.816 5.124) 11.267 8.701 ( 3.396 22.906 -10.123) 25.273 8.836 ( -2.260 23.135 2.540) 23.383 9.039 ( 1.308 20.965 -4.793) 21.546 9.231 ( 0.371 20.308 -5.460) 21.033 9.338 ( -0.223 21.962 3.679) 22.269 9.416 ( 6.830 17.018 2.963) 18.575 9.669 ( -1.650 14.422 -4.687) 15.254 9.784 ( 1.027 17.102 7.459) 18.686 10.170 ( 1.006 18.101 -3.292) 18.426 10.448 ( -3.899 9.584 15.776) 18.866 10.882 ( 1.935 4.667 -12.397) 13.387 10.953 ( -2.429 11.087 17.257) 20.655 11.353 ( -0.132 -5.326 9.869) 11.215 11.396 ( 0.587 0.076 0.474) 0.759 11.859 ( -4.855 -8.453 5.176) 11.037 12.772 ( 1.853 -4.152 -8.525) 9.662 13.326 ( -0.433 -8.142 3.912) 9.043 13.433 ( 3.227 -12.745 -4.310) 13.836 13.738 ( -1.056 -9.395 5.591) 10.984 14.032 ( -0.220 -16.031 0.146) 16.033 14.802 ( 3.700 -16.455 -10.112) 19.665 15.010 ( -2.198 -24.085 1.349) 24.223 15.404 ( -0.962 -7.975 6.009) 10.032 16.110 ( 2.564 36.707 -1.948) 36.848 17.155 ( 7.619 23.080 4.199) 24.665 17.789 ( 1.449 21.469 -7.141) 22.672 18.597 ( 1.269 8.322 0.257) 8.422 19.032 ( 13.372 24.019 -40.519) 48.964 20.199 ( 0.562 20.036 -5.437) 20.769 20.603 ( -7.673 22.395 10.022) 25.707 21.310 ( 3.152 15.385 -2.559) 15.912 22.011 ( 19.384 9.678 18.236) 28.319 22.740 ( 38.293 10.235 28.575) 48.864 24.642 ( -19.160 -7.660 -27.433) 34.327 24.783 ( -10.821 -6.381 -6.486) 14.138 26.072 ( -4.264 -7.011 -0.812) 8.246 27.027 ( -4.747 -16.267 23.576) 29.034 ======================= Grid point 109 (47/140) ======================= q-point: ( 0.00 0.23 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( -2.800 5.419 -2.693) 6.667 1.962 ( 2.732 3.741 -6.715) 8.158 2.145 ( 0.639 36.471 0.402) 36.479 2.517 ( 3.502 20.861 6.441) 22.112 2.973 ( -3.007 -1.006 4.667) 5.642 3.088 ( 5.598 4.750 5.549) 9.202 3.455 ( 4.319 3.359 3.019) 6.249 3.764 ( -5.121 5.833 -4.458) 8.951 3.865 ( -4.947 1.282 -3.916) 6.439 3.956 ( 3.374 11.646 -0.420) 12.132 4.045 ( -10.213 18.430 9.102) 22.952 4.362 ( -0.782 5.200 0.243) 5.265 4.530 ( 4.567 19.508 -1.765) 20.113 4.650 ( 1.532 18.047 1.927) 18.214 4.864 ( -8.399 6.362 0.287) 10.541 5.159 ( 5.134 1.583 6.829) 8.690 5.524 ( 0.097 -0.064 -2.149) 2.152 5.699 ( -7.241 -5.163 6.481) 11.004 5.881 ( 7.143 14.798 -6.490) 17.667 5.956 ( 1.485 7.630 2.587) 8.192 6.141 ( -2.760 0.659 -0.745) 2.934 6.227 ( 6.283 4.454 3.421) 8.427 6.301 ( 0.076 -8.397 2.050) 8.644 6.492 ( 0.630 2.106 -4.715) 5.202 6.662 ( -0.697 8.236 -2.930) 8.770 6.845 ( -4.782 2.716 0.074) 5.500 6.968 ( -0.192 2.666 -2.614) 3.738 7.146 ( 3.787 7.518 -2.344) 8.738 7.290 ( 0.564 0.312 -2.647) 2.724 7.384 ( -1.890 6.731 -6.077) 9.263 7.691 ( -2.928 6.325 4.895) 8.517 7.964 ( 4.756 5.565 -7.654) 10.591 8.190 ( -2.142 14.885 8.510) 17.280 8.388 ( -1.794 15.964 1.204) 16.110 8.648 ( 0.752 7.748 2.988) 8.338 9.017 ( 3.456 8.724 -4.104) 10.241 9.241 ( -0.262 19.464 4.718) 20.029 9.536 ( -0.502 15.923 2.218) 16.084 9.592 ( -1.627 13.241 -1.533) 13.428 9.712 ( 3.028 10.269 -1.093) 10.762 9.875 ( 0.059 29.133 -0.666) 29.141 10.146 ( 1.703 25.707 -8.250) 27.052 10.434 ( 0.303 38.293 -2.998) 38.412 10.649 ( 2.518 26.579 -5.504) 27.259 10.782 ( -4.183 22.496 11.686) 25.693 10.968 ( 1.580 7.256 -12.433) 14.482 11.111 ( -4.082 10.103 9.581) 14.509 11.492 ( -2.155 15.202 5.574) 16.335 11.574 ( -1.810 14.849 10.099) 18.049 11.772 ( 0.436 5.927 1.944) 6.253 12.754 ( 1.382 4.802 -10.141) 11.305 13.156 ( 0.292 -9.337 4.587) 10.407 13.190 ( 0.647 -11.594 -4.501) 12.453 13.508 ( -1.145 -12.965 6.784) 14.677 13.670 ( -0.140 -18.603 -0.741) 18.619 14.165 ( 0.529 -28.103 -2.915) 28.259 14.802 ( 1.068 -6.981 -4.035) 8.134 15.190 ( -0.204 -11.023 0.229) 11.027 16.971 ( 2.752 38.632 2.609) 38.818 17.701 ( -3.508 22.923 4.973) 23.717 18.157 ( 1.418 14.362 -7.328) 16.186 18.694 ( -1.758 2.606 -1.213) 3.369 19.436 ( 12.167 8.403 -14.561) 20.753 20.208 ( -9.018 0.098 -4.987) 10.306 21.153 ( -1.817 29.734 0.911) 29.803 21.585 ( -2.429 18.457 -8.361) 20.408 22.376 ( -0.106 9.576 14.490) 17.369 23.143 ( -12.968 -12.135 -0.439) 17.765 24.172 ( 10.497 -2.477 3.705) 11.404 24.766 ( 5.225 -2.019 -11.548) 12.835 25.897 ( 0.357 -8.122 1.007) 8.192 26.695 ( -2.896 -15.884 15.374) 22.295 ======================= Grid point 110 (48/140) ======================= q-point: ( 0.17 0.23 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( 0.119 8.834 -4.723) 10.017 2.030 ( 5.445 -0.891 -1.219) 5.650 2.127 ( -1.682 26.626 -0.787) 26.691 2.616 ( 2.228 21.804 9.998) 24.090 2.937 ( -2.451 -0.373 3.293) 4.122 3.219 ( 4.145 6.830 7.199) 10.754 3.538 ( 1.076 3.849 6.794) 7.882 3.649 ( -3.577 5.587 -6.054) 8.980 3.682 ( -8.859 1.887 -7.431) 11.716 4.001 ( 0.619 16.599 0.216) 16.612 4.047 ( 5.184 12.903 -3.692) 14.387 4.326 ( -8.043 12.765 4.760) 15.821 4.472 ( -4.128 12.417 4.297) 13.773 4.612 ( 0.601 6.664 0.109) 6.692 4.842 ( 1.985 16.592 -5.349) 17.546 5.296 ( 5.729 5.052 8.613) 11.512 5.517 ( 0.655 -2.233 -6.601) 6.999 5.619 ( -4.250 -5.932 11.379) 13.518 5.829 ( -9.929 6.132 -4.289) 12.433 5.996 ( -2.445 6.765 7.106) 10.111 6.103 ( 4.894 8.408 -2.630) 10.078 6.320 ( 2.111 1.776 2.105) 3.470 6.370 ( 2.088 -4.471 0.985) 5.032 6.471 ( 0.014 0.294 -3.399) 3.412 6.683 ( 4.029 8.271 -5.327) 10.631 6.795 ( 1.131 3.678 -3.341) 5.096 6.968 ( 0.198 2.099 0.019) 2.108 7.223 ( -4.375 7.315 -6.842) 10.930 7.242 ( 6.011 8.411 -1.234) 10.412 7.378 ( 1.916 3.111 0.722) 3.724 7.674 ( -0.518 5.569 5.642) 7.944 7.975 ( -1.052 9.048 -6.365) 11.113 8.183 ( -1.147 12.931 3.310) 13.397 8.417 ( 3.937 15.514 1.513) 16.077 8.657 ( -1.327 8.500 4.845) 9.873 9.094 ( 5.654 5.939 -2.969) 8.721 9.249 ( -1.029 19.221 4.438) 19.754 9.522 ( -3.468 8.942 0.806) 9.625 9.543 ( -0.926 17.431 0.881) 17.478 9.719 ( -1.516 13.516 -3.438) 14.029 9.872 ( -0.150 28.644 -0.200) 28.645 10.164 ( 2.951 25.113 -6.769) 26.176 10.416 ( -0.832 42.294 -3.281) 42.429 10.656 ( 0.703 22.816 -6.438) 23.717 10.762 ( -2.830 21.828 11.595) 24.878 10.944 ( 1.278 7.669 -12.589) 14.796 11.048 ( -5.339 13.400 9.730) 17.399 11.452 ( -4.118 15.937 6.824) 17.818 11.562 ( -3.330 14.828 8.650) 17.486 11.819 ( 3.118 3.932 1.725) 5.307 12.735 ( 1.127 3.817 -10.113) 10.868 13.163 ( -0.571 -11.192 -4.111) 11.936 13.187 ( -0.072 -8.900 4.807) 10.115 13.512 ( -1.141 -12.170 6.323) 13.762 13.663 ( -0.111 -18.745 -0.833) 18.764 14.158 ( -0.101 -27.710 -2.894) 27.860 14.826 ( 3.048 -7.145 -3.295) 8.438 15.179 ( -0.960 -10.994 -0.222) 11.038 17.052 ( 3.865 37.113 3.351) 37.464 17.597 ( -8.558 24.294 4.115) 26.084 18.146 ( 0.898 15.264 -7.086) 16.853 18.625 ( -3.673 3.789 -5.675) 7.750 19.656 ( 13.723 9.569 -9.969) 19.475 19.985 ( -9.131 2.466 -10.834) 14.382 21.122 ( -2.541 31.691 4.775) 32.149 21.497 ( -4.170 19.413 -3.178) 20.108 22.385 ( -6.846 9.360 9.166) 14.782 22.608 ( -27.225 8.236 9.203) 29.895 24.544 ( 16.452 -9.701 -3.757) 19.465 24.889 ( 11.312 -9.206 -9.409) 17.356 25.918 ( 1.772 -9.710 0.562) 9.886 26.721 ( -1.003 -16.001 14.632) 21.706 ======================= Grid point 111 (49/140) ======================= q-point: ( 0.33 0.23 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( 1.719 5.320 -2.649) 6.187 2.089 ( 0.599 8.634 -3.297) 9.261 2.169 ( 6.290 6.066 2.634) 9.127 2.666 ( -0.876 19.724 7.352) 21.068 2.907 ( -1.583 0.449 2.889) 3.325 3.267 ( -3.910 5.268 7.567) 10.015 3.439 ( -8.649 4.665 -2.809) 10.220 3.573 ( -3.433 5.783 4.645) 8.174 3.596 ( 1.281 7.778 -9.474) 12.324 3.955 ( -1.796 12.582 2.382) 12.930 4.126 ( -3.022 6.048 1.900) 7.023 4.211 ( 4.699 18.269 -0.169) 18.864 4.591 ( 9.552 9.565 -1.280) 13.578 4.630 ( 1.900 10.266 0.328) 10.446 4.835 ( 0.457 15.286 -7.984) 17.252 5.386 ( -6.045 10.027 -2.597) 11.992 5.462 ( -1.886 -1.463 11.190) 11.442 5.561 ( -6.433 -0.283 9.120) 11.164 5.683 ( 0.681 -2.238 -3.581) 4.278 5.998 ( -0.678 5.202 7.835) 9.429 6.188 ( 3.657 4.208 -3.507) 6.586 6.295 ( -5.031 -0.128 3.601) 6.188 6.361 ( 0.343 -2.160 -6.961) 7.297 6.505 ( 2.472 -0.758 0.069) 2.587 6.771 ( 7.941 10.311 -11.875) 17.619 6.818 ( -0.144 7.115 0.038) 7.117 6.931 ( -3.945 4.955 3.566) 7.269 7.137 ( -0.330 2.556 -3.463) 4.316 7.346 ( 3.670 5.840 0.856) 6.950 7.456 ( 5.273 9.749 -0.256) 11.087 7.712 ( 0.982 6.188 7.627) 9.871 7.911 ( -1.869 12.534 -3.534) 13.156 8.157 ( -2.859 10.740 3.137) 11.548 8.514 ( 5.208 17.181 -3.009) 18.204 8.633 ( -3.531 8.084 6.155) 10.757 9.180 ( 2.425 5.872 -4.788) 7.955 9.250 ( 0.698 17.423 4.480) 18.003 9.447 ( -2.818 9.581 -0.709) 10.012 9.545 ( -0.530 15.008 3.922) 15.521 9.634 ( -4.740 13.816 -5.150) 15.488 9.869 ( 0.115 30.704 -1.040) 30.722 10.188 ( 1.863 25.907 -5.862) 26.627 10.382 ( -1.188 46.633 -2.033) 46.692 10.632 ( 0.238 17.987 -8.410) 19.857 10.759 ( -1.876 23.662 9.819) 25.687 10.927 ( 1.539 6.633 -5.676) 8.864 11.016 ( -1.388 14.167 7.019) 15.871 11.408 ( -3.243 15.676 8.448) 18.100 11.521 ( -3.705 15.331 6.755) 17.158 11.883 ( 2.285 1.899 0.889) 3.101 12.725 ( 2.123 2.622 -10.094) 10.643 13.132 ( -0.363 -8.666 -4.571) 9.804 13.197 ( -1.372 -9.468 5.717) 11.145 13.516 ( -1.066 -12.009 6.094) 13.508 13.660 ( 0.204 -18.762 -1.064) 18.794 14.139 ( -0.476 -26.943 -2.637) 27.076 14.887 ( 3.735 -7.803 -2.459) 8.994 15.152 ( -1.377 -11.034 -0.779) 11.147 17.126 ( 2.309 34.500 -0.384) 34.579 17.427 ( -9.408 30.643 4.732) 32.402 18.152 ( 2.337 14.636 -5.668) 15.868 18.541 ( -1.085 6.888 -6.117) 9.276 19.681 ( -3.227 13.112 -29.997) 32.896 19.968 ( 8.102 4.654 9.557) 13.366 21.106 ( -3.038 32.119 17.672) 36.786 21.403 ( -5.240 20.396 3.667) 21.375 22.073 ( -14.057 16.198 -4.281) 21.870 22.479 ( -3.191 9.758 18.002) 20.724 24.731 ( 7.896 -5.641 -11.094) 14.739 25.029 ( 4.077 -14.139 -6.100) 15.929 25.972 ( 3.465 -13.651 -1.613) 14.176 26.759 ( -1.095 -15.523 12.312) 19.843 ======================= Grid point 112 (50/140) ======================= q-point: (-0.50 0.23 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( -0.405 3.927 -3.480) 5.262 2.099 ( 1.279 9.164 -1.774) 9.421 2.228 ( -3.592 -0.310 0.687) 3.670 2.650 ( -1.969 19.430 0.124) 19.530 2.910 ( -0.013 1.253 4.794) 4.955 3.143 ( -7.319 2.907 5.394) 9.545 3.335 ( -2.578 8.643 -1.598) 9.159 3.553 ( 2.104 2.922 4.199) 5.531 3.643 ( 6.452 17.199 -2.449) 18.532 3.999 ( 2.525 8.864 5.020) 10.495 4.082 ( -2.694 2.178 6.077) 6.995 4.322 ( 5.434 15.337 -1.560) 16.346 4.668 ( 2.419 14.997 -2.757) 15.439 4.722 ( 2.447 7.515 -8.360) 11.505 4.825 ( 3.196 13.623 -10.302) 17.376 5.193 ( -5.590 3.686 1.468) 6.855 5.440 ( -10.664 5.947 15.531) 19.756 5.566 ( 3.734 5.268 9.447) 11.443 5.695 ( 1.148 -2.610 -3.445) 4.472 5.976 ( -5.190 0.108 5.152) 7.314 6.193 ( -0.796 2.345 -7.158) 7.575 6.246 ( -0.240 2.422 2.567) 3.537 6.366 ( 1.734 -2.971 -3.942) 5.232 6.519 ( -0.572 0.729 -0.436) 1.024 6.756 ( 0.417 10.370 -8.970) 13.717 6.891 ( 5.621 10.086 -8.342) 14.245 6.928 ( 0.491 2.379 7.456) 7.841 7.156 ( 1.789 -1.462 0.730) 2.424 7.360 ( -2.393 4.935 -0.134) 5.486 7.531 ( 0.944 13.134 1.087) 13.213 7.747 ( -0.454 7.051 6.766) 9.783 7.920 ( 3.110 11.708 0.471) 12.124 8.118 ( -2.423 11.758 6.913) 13.854 8.545 ( -0.277 20.750 -9.514) 22.829 8.593 ( -2.336 5.934 7.492) 9.838 9.131 ( -3.286 10.219 -6.433) 12.514 9.286 ( -0.477 15.512 2.704) 15.754 9.440 ( 1.067 9.683 1.985) 9.942 9.535 ( -0.018 15.293 -5.413) 16.222 9.557 ( -0.721 11.965 1.973) 12.148 9.869 ( 0.490 31.548 -1.684) 31.596 10.188 ( 0.882 27.940 -6.733) 28.754 10.369 ( 0.397 46.608 0.612) 46.613 10.604 ( 0.574 16.787 -8.859) 18.990 10.779 ( 0.452 24.689 7.614) 25.840 10.966 ( 3.106 2.573 0.271) 4.042 11.028 ( -0.429 14.413 4.498) 15.105 11.401 ( -1.451 16.183 11.000) 19.621 11.489 ( -1.531 15.546 4.753) 16.328 11.901 ( -0.756 1.353 0.204) 1.563 12.733 ( 2.734 2.592 -10.144) 10.821 13.121 ( 1.075 -7.421 -4.238) 8.613 13.181 ( -2.303 -9.861 5.160) 11.365 13.517 ( -1.548 -12.334 6.438) 13.999 13.663 ( 0.585 -18.829 -1.286) 18.882 14.129 ( 0.665 -26.693 -2.382) 26.807 14.914 ( -0.503 -7.759 -2.728) 8.240 15.142 ( 1.045 -11.582 -0.540) 11.642 17.085 ( -4.871 36.013 -5.899) 36.816 17.371 ( 2.249 32.864 7.147) 33.707 18.167 ( 1.004 13.427 -5.296) 14.469 18.569 ( 4.991 6.927 -1.277) 8.633 19.499 ( -2.168 12.581 -28.781) 31.485 20.174 ( 8.259 6.788 9.587) 14.360 21.182 ( 0.311 29.271 32.542) 43.771 21.341 ( -0.744 23.925 1.686) 23.996 21.892 ( -2.428 16.647 -11.356) 20.297 22.501 ( -2.065 9.214 17.841) 20.186 24.794 ( 4.147 -5.071 -15.640) 16.956 24.996 ( -4.444 -12.062 -4.346) 13.569 26.005 ( 0.187 -15.628 -2.930) 15.902 26.771 ( -2.585 -14.966 10.883) 18.684 ======================= Grid point 113 (51/140) ======================= q-point: (-0.33 0.23 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( 2.355 3.562 -3.771) 5.696 2.072 ( -6.789 16.081 1.245) 17.500 2.132 ( -0.232 2.131 -2.236) 3.098 2.572 ( -5.900 23.325 -0.144) 24.060 2.929 ( 0.524 1.485 4.453) 4.723 3.067 ( -3.524 0.359 4.139) 5.448 3.315 ( 1.334 6.317 -1.863) 6.720 3.662 ( 6.439 1.512 -0.105) 6.615 3.874 ( 15.957 22.329 4.359) 27.789 4.013 ( -4.462 3.681 5.450) 7.947 4.068 ( 1.279 6.362 -2.312) 6.889 4.373 ( -1.954 12.376 6.442) 14.089 4.610 ( -7.532 12.175 -2.176) 14.481 4.694 ( -1.014 6.835 -9.752) 11.952 4.874 ( 6.220 11.288 -3.729) 13.417 5.180 ( -5.212 15.188 2.749) 16.291 5.312 ( -0.055 2.790 13.399) 13.687 5.692 ( 6.184 4.855 0.799) 7.902 5.728 ( 1.796 1.270 4.790) 5.271 5.908 ( -0.928 -4.143 2.664) 5.012 6.123 ( -4.972 7.776 -4.224) 10.150 6.225 ( -0.919 0.355 -5.884) 5.966 6.382 ( 0.727 -6.245 -0.532) 6.310 6.501 ( -1.036 1.051 -1.755) 2.293 6.767 ( 2.229 11.598 -7.032) 13.746 6.913 ( 0.294 4.008 -0.216) 4.025 6.979 ( 1.938 3.495 -2.086) 4.508 7.192 ( 1.424 -0.580 -1.529) 2.169 7.277 ( -5.409 3.803 1.645) 6.813 7.508 ( -2.616 11.006 3.459) 11.830 7.755 ( -1.488 7.871 5.968) 9.989 7.946 ( -0.776 10.737 -6.326) 12.486 8.143 ( 0.594 12.024 11.966) 16.974 8.515 ( -1.265 10.272 6.365) 12.150 8.558 ( -0.814 17.240 -7.563) 18.844 9.044 ( -2.056 10.041 -7.687) 12.811 9.262 ( -2.385 17.461 2.542) 17.805 9.483 ( 4.173 11.314 -0.894) 12.092 9.538 ( -0.046 20.457 0.346) 20.460 9.589 ( 2.959 7.195 0.183) 7.782 9.873 ( 0.677 31.041 -2.285) 31.132 10.175 ( 0.801 27.658 -7.309) 28.619 10.397 ( 1.633 44.048 1.665) 44.109 10.590 ( 1.855 17.482 -8.607) 19.574 10.824 ( -0.092 26.091 8.967) 27.589 11.002 ( 1.164 6.825 -9.447) 11.713 11.052 ( 0.595 6.022 12.110) 13.538 11.439 ( 0.352 17.137 11.566) 20.678 11.505 ( 0.895 15.926 5.113) 16.751 11.859 ( -3.347 2.711 0.181) 4.311 12.746 ( 2.817 3.752 -10.174) 11.204 13.135 ( 1.091 -8.221 -1.357) 8.403 13.162 ( -0.612 -10.353 1.563) 10.488 13.509 ( -1.866 -12.922 6.807) 14.724 13.670 ( 0.516 -18.723 -1.057) 18.760 14.144 ( 1.651 -27.255 -2.519) 27.421 14.863 ( -2.447 -7.097 -3.517) 8.290 15.171 ( 1.401 -11.751 0.031) 11.834 16.975 ( -3.221 39.352 -4.140) 39.700 17.512 ( 7.763 28.353 6.953) 30.207 18.156 ( 0.604 13.789 -5.876) 15.001 18.665 ( 3.546 3.870 1.619) 5.493 19.373 ( 1.231 10.843 -28.007) 30.058 20.335 ( 3.220 2.904 8.729) 9.747 21.226 ( -3.728 26.190 9.317) 28.047 21.549 ( 12.842 25.119 17.218) 33.051 21.885 ( 9.135 15.737 -7.324) 19.615 22.557 ( 1.482 7.643 17.903) 19.522 24.746 ( -4.650 -10.313 -16.018) 19.610 24.851 ( -6.372 -5.660 -6.378) 10.645 25.958 ( -3.250 -13.147 -1.909) 13.676 26.749 ( -4.176 -14.892 11.541) 19.297 ======================= Grid point 114 (52/140) ======================= q-point: (-0.17 0.23 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( 2.887 1.452 -1.334) 3.496 1.977 ( -1.879 8.779 -2.956) 9.452 2.126 ( 0.466 29.728 -2.240) 29.816 2.479 ( -2.483 21.583 3.093) 21.944 2.982 ( 3.227 2.118 3.889) 5.480 3.018 ( -3.339 -1.103 4.233) 5.503 3.365 ( 3.849 4.311 0.404) 5.793 3.786 ( 6.356 3.160 -1.427) 7.241 3.896 ( -6.041 7.148 -0.660) 9.382 4.028 ( -3.639 7.425 -1.067) 8.337 4.220 ( 5.462 15.790 -0.035) 16.708 4.328 ( -2.311 23.662 12.525) 26.872 4.428 ( -4.915 7.241 2.285) 9.045 4.629 ( -0.932 6.371 -6.316) 9.020 4.997 ( 3.448 6.029 -2.149) 7.270 5.060 ( -4.004 12.180 7.014) 14.614 5.474 ( 5.937 5.053 9.001) 11.908 5.732 ( 1.328 -1.050 -3.768) 4.130 5.837 ( 5.227 6.377 2.885) 8.736 5.904 ( -3.352 4.215 -1.996) 5.744 6.081 ( 5.492 4.675 2.258) 7.558 6.177 ( -1.450 -1.244 -5.255) 5.592 6.354 ( -3.315 -8.812 -0.277) 9.419 6.488 ( 1.034 4.427 -3.560) 5.774 6.730 ( -3.422 11.398 -4.095) 12.586 6.912 ( -1.804 2.978 2.987) 4.588 6.985 ( 0.309 0.368 -3.861) 3.891 7.146 ( -3.049 9.176 -1.905) 9.855 7.255 ( 1.857 -5.222 0.978) 5.628 7.468 ( -2.618 9.913 -4.547) 11.216 7.731 ( -3.049 7.778 4.855) 9.663 7.909 ( 2.277 8.293 -7.717) 11.554 8.187 ( -1.430 12.508 11.720) 17.200 8.455 ( -5.060 13.994 2.268) 15.053 8.596 ( 3.972 11.779 -0.570) 12.444 8.999 ( 0.542 9.674 -6.425) 11.625 9.236 ( -1.246 19.045 3.584) 19.419 9.536 ( 0.074 17.707 0.031) 17.707 9.581 ( 3.981 13.425 0.006) 14.003 9.641 ( 2.764 8.380 0.606) 8.845 9.875 ( 0.510 30.896 -2.292) 30.986 10.159 ( 0.694 25.744 -7.813) 26.912 10.428 ( 1.063 39.825 -0.560) 39.843 10.611 ( 3.463 22.683 -7.097) 24.018 10.823 ( -4.285 25.816 11.805) 28.708 10.982 ( 1.793 7.012 -11.917) 13.943 11.109 ( -0.145 5.754 10.493) 11.968 11.487 ( 0.011 15.839 7.540) 17.542 11.550 ( 0.265 16.182 8.896) 18.468 11.793 ( -2.976 4.936 1.006) 5.851 12.757 ( 2.483 4.768 -10.168) 11.502 13.140 ( -0.646 -8.916 4.505) 10.010 13.179 ( 2.237 -11.347 -4.696) 12.483 13.504 ( -1.441 -13.363 6.970) 15.140 13.673 ( 0.143 -18.537 -0.772) 18.554 14.161 ( 1.092 -27.925 -2.797) 28.086 14.815 ( -0.748 -6.916 -4.012) 8.030 15.188 ( 0.325 -11.289 0.270) 11.297 16.936 ( 0.166 39.518 -0.571) 39.522 17.672 ( 4.263 24.632 6.900) 25.933 18.152 ( 1.698 13.968 -6.985) 15.710 18.707 ( 0.263 2.778 1.689) 3.261 19.335 ( 6.129 9.180 -23.664) 26.112 20.347 ( -4.585 -0.107 4.259) 6.258 21.187 ( -2.345 28.098 2.192) 28.281 21.650 ( -0.570 18.074 -6.515) 19.221 22.235 ( 12.468 11.850 13.165) 21.661 22.831 ( 23.441 -1.294 14.433) 27.559 24.416 ( -21.651 -9.905 -7.575) 24.985 24.764 ( 0.346 -0.653 -12.145) 12.168 25.902 ( -1.529 -9.292 0.072) 9.417 26.711 ( -4.573 -15.326 13.686) 21.050 ======================= Grid point 115 (53/140) ======================= q-point: ( 0.00 0.31 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( 0.595 1.768 0.055) 1.866 1.993 ( 0.349 -0.164 -2.961) 2.986 2.805 ( -3.168 22.652 -10.478) 25.159 2.934 ( -0.177 6.974 3.907) 7.996 3.018 ( 5.533 17.496 -1.250) 18.392 3.255 ( 4.081 11.497 7.786) 14.473 3.545 ( 3.615 5.546 6.480) 9.264 3.836 ( -1.270 2.884 -2.017) 3.741 3.872 ( -4.617 0.931 0.546) 4.741 4.190 ( 0.988 11.916 1.209) 12.017 4.358 ( -9.699 13.278 5.582) 17.365 4.420 ( 1.282 1.892 -0.084) 2.287 4.672 ( 1.638 2.970 -0.433) 3.420 4.952 ( -5.728 1.785 1.235) 6.125 5.104 ( 3.018 -5.312 11.371) 12.908 5.209 ( 0.222 23.008 4.130) 23.376 5.513 ( -2.635 0.418 4.488) 5.221 5.624 ( -8.077 -0.972 -3.406) 8.820 6.061 ( 2.855 2.981 -2.119) 4.639 6.114 ( 1.342 -8.133 2.849) 8.721 6.167 ( 8.739 8.884 -6.589) 14.097 6.172 ( 0.631 4.864 -2.541) 5.524 6.356 ( 5.240 6.348 1.725) 8.410 6.524 ( -1.889 1.988 -3.958) 4.815 6.771 ( -2.834 2.265 -3.632) 5.133 6.808 ( -0.782 -5.343 -2.399) 5.909 7.014 ( -0.859 5.661 -5.771) 8.129 7.305 ( -0.507 4.128 1.149) 4.315 7.316 ( 3.770 4.201 4.427) 7.174 7.578 ( 0.536 9.059 -9.235) 12.947 7.813 ( -5.166 6.203 4.404) 9.195 8.033 ( 5.112 2.116 -9.558) 11.043 8.498 ( -1.985 14.923 7.848) 16.977 8.690 ( -2.803 11.702 9.475) 15.315 8.814 ( 1.775 7.842 -0.865) 8.087 9.276 ( 1.870 18.045 -4.978) 18.813 9.618 ( -2.389 17.384 8.831) 19.644 9.706 ( -0.646 2.001 2.890) 3.574 9.782 ( 0.326 7.891 -2.425) 8.262 9.933 ( 0.706 12.485 2.490) 12.751 10.375 ( 0.950 16.479 -8.255) 18.456 10.588 ( 0.772 15.479 -3.478) 15.884 10.796 ( 1.226 4.285 -3.490) 5.661 10.933 ( -1.702 2.736 1.845) 3.713 11.161 ( 0.260 12.422 -5.036) 13.407 11.433 ( 0.933 37.256 -1.062) 37.283 11.560 ( -1.898 8.852 2.695) 9.446 11.775 ( -2.536 7.737 9.703) 12.666 11.872 ( 2.838 26.463 -6.757) 27.459 12.239 ( -1.900 35.064 8.423) 36.112 12.831 ( 0.486 -4.662 -6.456) 7.978 13.069 ( -0.081 2.902 1.255) 3.163 13.234 ( -0.044 16.175 -0.905) 16.200 13.289 ( 1.046 -1.910 3.036) 3.737 13.298 ( -0.773 -13.367 -0.134) 13.390 13.809 ( 0.486 -5.790 -2.360) 6.271 14.693 ( 0.473 -3.240 -1.993) 3.833 14.991 ( 0.445 -8.309 -1.269) 8.417 17.653 ( 2.027 28.022 1.169) 28.119 18.097 ( -3.230 15.697 3.442) 16.391 18.374 ( 1.670 7.492 -5.357) 9.360 18.712 ( -1.620 -0.645 -0.694) 1.876 19.564 ( 8.959 5.042 -6.298) 12.056 20.157 ( -7.816 -4.489 -1.243) 9.098 21.630 ( -0.397 17.145 0.939) 17.176 21.960 ( -1.741 17.614 -8.324) 19.559 22.556 ( -1.118 6.860 9.705) 11.937 22.853 ( -1.594 -15.536 4.877) 16.362 24.149 ( 2.779 0.092 1.930) 3.385 24.685 ( 2.098 -5.994 -7.542) 9.860 25.740 ( 0.309 -6.618 0.421) 6.639 26.378 ( -1.446 -15.395 6.970) 16.961 ======================= Grid point 116 (54/140) ======================= q-point: ( 0.17 0.31 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( 0.204 3.568 -0.287) 3.585 2.000 ( 1.520 -1.743 -1.767) 2.911 2.675 ( -5.190 24.041 -8.802) 26.123 2.933 ( -0.730 3.095 5.506) 6.358 3.064 ( -1.929 17.553 1.739) 17.744 3.356 ( 2.696 6.232 7.661) 10.237 3.629 ( 1.067 2.852 6.851) 7.498 3.720 ( -10.966 3.008 1.487) 11.468 3.774 ( -1.637 8.771 -2.476) 9.259 4.213 ( -0.570 9.586 0.901) 9.645 4.337 ( 4.361 13.551 -3.867) 14.751 4.499 ( 6.807 5.901 -0.515) 9.024 4.633 ( -9.100 3.358 5.909) 11.358 4.817 ( 0.202 11.262 -1.500) 11.363 5.116 ( -2.167 3.662 3.170) 5.306 5.296 ( 2.206 0.204 5.736) 6.149 5.455 ( -4.735 -6.885 8.691) 12.056 5.600 ( 5.490 8.063 -6.580) 11.766 5.906 ( -11.635 1.997 -4.349) 12.581 6.119 ( -4.152 4.252 3.591) 6.943 6.226 ( 1.667 -2.556 -0.265) 3.064 6.287 ( 3.134 2.215 -3.898) 5.470 6.392 ( -0.017 4.632 3.010) 5.524 6.479 ( -0.609 2.690 -2.212) 3.536 6.783 ( 4.549 0.917 -1.918) 5.021 6.833 ( 4.813 -2.585 -5.411) 7.689 6.992 ( 1.001 5.731 -5.689) 8.137 7.312 ( 0.416 1.597 2.292) 2.824 7.388 ( 1.110 7.102 1.202) 7.288 7.592 ( 5.207 12.462 -9.793) 16.683 7.772 ( -0.494 4.391 7.003) 8.280 8.083 ( 2.980 2.785 -8.326) 9.272 8.468 ( -3.471 14.600 5.750) 16.071 8.704 ( -0.815 11.593 13.219) 17.601 8.870 ( 4.168 9.179 -2.116) 10.300 9.301 ( 2.824 16.849 -5.310) 17.890 9.594 ( -3.422 14.592 7.005) 16.545 9.688 ( -2.373 3.763 3.553) 5.693 9.771 ( -0.443 10.021 -1.020) 10.083 9.936 ( -1.626 11.462 2.006) 11.750 10.371 ( 2.294 16.385 -8.895) 18.784 10.594 ( 1.113 15.212 -3.269) 15.599 10.775 ( -1.823 1.798 -0.912) 2.718 10.937 ( 1.599 5.155 -0.875) 5.467 11.144 ( 0.228 12.895 -4.865) 13.784 11.403 ( -3.013 34.599 -1.072) 34.747 11.535 ( -1.552 12.202 1.760) 12.425 11.761 ( -3.255 11.089 10.816) 15.829 11.903 ( 2.812 25.268 -7.028) 26.377 12.235 ( -1.866 34.366 8.384) 35.423 12.807 ( 0.147 -3.506 -7.610) 8.380 13.073 ( -0.358 3.502 2.213) 4.158 13.230 ( -0.087 14.535 -0.296) 14.538 13.281 ( -0.293 -16.631 -1.704) 16.721 13.317 ( 0.136 1.097 3.854) 4.009 13.801 ( -0.356 -6.374 -2.035) 6.700 14.714 ( 2.409 -3.470 -1.931) 4.645 14.987 ( -0.353 -7.735 -1.460) 7.880 17.707 ( 2.500 26.880 1.663) 27.047 18.023 ( -5.078 17.388 3.011) 18.363 18.378 ( 1.018 8.139 -5.113) 9.666 18.660 ( -2.531 0.133 -2.856) 3.818 19.759 ( 11.484 2.236 -0.533) 11.712 19.985 ( -7.483 -1.869 -7.035) 10.440 21.634 ( 0.125 18.258 2.297) 18.402 21.880 ( -3.762 17.779 -4.825) 18.802 22.520 ( -7.318 2.374 4.027) 8.683 22.706 ( -9.755 2.105 9.278) 13.626 24.353 ( 13.252 -7.882 0.746) 15.437 24.722 ( 4.593 -8.309 -7.658) 12.197 25.737 ( -0.668 -7.399 0.460) 7.444 26.399 ( 0.432 -15.738 6.750) 17.130 ======================= Grid point 117 (55/140) ======================= q-point: ( 0.33 0.31 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( -0.162 3.936 -0.978) 4.058 2.031 ( 1.720 -4.488 -0.307) 4.816 2.567 ( -2.749 21.783 -3.568) 22.244 2.946 ( -1.376 3.984 3.563) 5.519 3.002 ( -2.334 12.128 1.718) 12.470 3.388 ( -6.713 6.531 8.944) 12.951 3.489 ( -5.306 0.391 -1.361) 5.492 3.648 ( -3.418 4.015 5.359) 7.518 3.812 ( 4.636 11.287 1.069) 12.249 4.187 ( -1.370 11.031 1.245) 11.185 4.284 ( -7.563 9.323 1.813) 12.141 4.560 ( 4.656 14.565 -3.375) 15.660 4.720 ( 9.711 5.498 1.575) 11.270 4.881 ( 6.316 11.851 -6.867) 15.083 5.062 ( -2.396 6.830 -4.161) 8.349 5.350 ( -1.065 -5.880 4.601) 7.541 5.445 ( -0.299 -7.700 11.151) 13.554 5.588 ( -6.249 6.597 -2.021) 9.309 5.703 ( -3.648 3.041 -3.049) 5.644 6.066 ( -3.782 0.195 6.107) 7.186 6.187 ( -4.169 -6.466 -6.468) 10.052 6.232 ( -2.882 -1.325 2.211) 3.867 6.419 ( 0.033 5.641 -1.061) 5.740 6.519 ( 4.652 3.403 0.123) 5.766 6.877 ( 3.910 -1.237 1.405) 4.335 6.923 ( 5.857 0.118 -6.589) 8.816 6.987 ( 1.052 7.397 -8.288) 11.158 7.291 ( -2.750 8.313 -1.658) 8.911 7.410 ( 1.796 4.050 1.876) 4.811 7.693 ( 6.176 10.234 -3.986) 12.600 7.834 ( 2.689 5.644 8.808) 10.801 8.077 ( -0.081 4.229 -5.640) 7.049 8.424 ( -3.139 15.166 6.037) 16.622 8.742 ( -1.648 10.061 13.991) 17.312 8.937 ( 3.608 11.701 -5.035) 13.240 9.335 ( 2.330 14.432 -5.529) 15.630 9.556 ( -2.027 12.464 5.100) 13.619 9.655 ( -1.639 6.747 1.428) 7.089 9.756 ( -1.532 10.401 0.259) 10.516 9.890 ( -3.322 13.386 2.863) 14.086 10.388 ( 2.923 16.146 -8.873) 18.654 10.601 ( 0.944 13.945 -3.504) 14.409 10.742 ( -1.330 1.370 1.273) 2.295 10.969 ( 2.076 4.466 -2.595) 5.567 11.134 ( 0.617 14.820 -3.979) 15.357 11.341 ( -2.320 34.945 -1.193) 35.043 11.515 ( -1.126 12.946 2.610) 13.255 11.739 ( -3.422 14.201 11.537) 18.614 11.913 ( 1.310 25.268 -7.668) 26.438 12.237 ( -1.270 32.963 7.472) 33.823 12.787 ( 1.486 -2.193 -8.596) 8.994 13.071 ( -0.837 3.553 3.074) 4.772 13.226 ( -0.331 13.174 -0.179) 13.179 13.278 ( 0.903 -14.335 -2.615) 14.600 13.323 ( -1.186 -0.976 4.255) 4.524 13.783 ( -0.650 -7.289 -1.339) 7.439 14.765 ( 3.221 -3.803 -1.873) 5.324 14.964 ( -1.172 -7.241 -2.005) 7.604 17.745 ( 0.814 25.667 -0.907) 25.696 17.944 ( -4.144 20.726 4.495) 21.608 18.379 ( 1.139 8.228 -4.716) 9.552 18.615 ( -0.438 1.305 -1.784) 2.254 19.795 ( -4.294 1.489 -18.629) 19.176 20.003 ( 8.685 -0.959 10.776) 13.873 21.655 ( 0.290 20.067 7.145) 21.303 21.782 ( -4.909 16.875 1.204) 17.615 22.336 ( -7.936 8.941 -4.218) 12.677 22.649 ( -2.909 6.158 12.182) 13.956 24.558 ( 7.211 -10.202 -2.577) 12.756 24.784 ( 4.188 -11.055 -7.330) 13.910 25.727 ( -0.321 -9.385 0.017) 9.390 26.436 ( 0.314 -16.130 6.087) 17.244 ======================= Grid point 118 (56/140) ======================= q-point: (-0.50 0.31 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( -0.984 3.568 -2.467) 4.448 2.050 ( -0.015 -5.592 0.082) 5.593 2.536 ( 0.136 20.862 -0.679) 20.873 2.881 ( -2.611 5.001 -2.299) 6.092 3.052 ( 3.505 10.788 4.371) 12.156 3.221 ( -8.546 4.358 5.596) 11.106 3.493 ( 0.274 5.228 3.750) 6.440 3.595 ( -1.793 4.012 2.448) 5.030 3.921 ( 6.052 9.127 2.625) 11.261 4.173 ( -3.465 9.415 8.693) 13.275 4.207 ( 0.755 9.842 -1.754) 10.026 4.617 ( 1.573 11.708 0.524) 11.825 4.875 ( 4.299 7.729 -10.201) 13.502 4.920 ( -1.203 7.380 -8.616) 11.409 5.035 ( 3.719 9.345 -4.815) 11.151 5.240 ( -4.109 1.454 3.059) 5.325 5.515 ( -0.582 -0.055 9.372) 9.390 5.594 ( 0.201 0.176 4.314) 4.322 5.644 ( 3.070 0.344 6.103) 6.841 5.983 ( -5.263 -2.862 0.894) 6.057 6.102 ( -1.766 -5.811 -5.420) 8.140 6.222 ( 0.591 -4.573 1.127) 4.747 6.417 ( 0.343 4.463 -1.962) 4.887 6.583 ( 0.380 5.363 1.115) 5.491 6.866 ( -2.816 -0.977 -4.447) 5.353 6.986 ( 1.979 3.826 0.095) 4.309 7.012 ( 5.013 3.719 -13.108) 14.519 7.259 ( 0.430 10.106 -1.261) 10.194 7.435 ( -0.781 2.889 2.371) 3.818 7.727 ( -2.425 6.711 1.764) 7.350 7.918 ( 1.751 7.940 5.065) 9.580 8.068 ( 0.938 3.507 -1.107) 3.796 8.411 ( -0.855 16.473 7.326) 18.049 8.737 ( -3.808 10.349 11.482) 15.919 8.954 ( 0.266 11.990 -6.521) 13.651 9.324 ( -0.925 14.449 -4.941) 15.298 9.588 ( 2.744 11.552 4.844) 12.824 9.641 ( -0.418 7.269 1.028) 7.353 9.701 ( -2.291 11.420 -4.319) 12.423 9.867 ( -0.866 15.092 5.861) 16.213 10.406 ( 2.336 16.218 -8.345) 18.388 10.602 ( 0.731 12.758 -3.762) 13.321 10.734 ( -0.260 2.773 1.595) 3.210 10.993 ( 1.317 2.464 -2.240) 3.581 11.138 ( 1.384 15.978 -3.561) 16.428 11.313 ( -0.055 36.127 -0.951) 36.140 11.519 ( 0.152 12.444 3.855) 13.029 11.730 ( -2.124 14.335 11.724) 18.640 11.898 ( 0.648 25.211 -8.368) 26.572 12.242 ( -1.294 32.593 6.628) 33.285 12.797 ( 2.941 -2.284 -8.532) 9.309 13.069 ( -0.662 3.753 3.495) 5.171 13.214 ( -0.506 14.595 -1.117) 14.647 13.290 ( 1.218 -13.545 -2.300) 13.793 13.307 ( -2.070 -2.858 4.237) 5.514 13.773 ( 0.260 -7.611 -0.933) 7.672 14.796 ( 0.053 -3.500 -1.937) 4.000 14.943 ( 0.578 -7.691 -2.303) 8.049 17.721 ( -2.135 26.193 -3.824) 26.556 17.925 ( 0.548 22.111 6.014) 22.921 18.379 ( 0.716 7.854 -4.735) 9.199 18.640 ( 2.571 1.020 1.531) 3.161 19.643 ( -3.195 3.876 -19.165) 19.812 20.193 ( 5.591 -3.318 11.450) 13.167 21.698 ( -2.912 19.283 10.456) 22.128 21.753 ( 4.709 16.606 6.214) 18.346 22.214 ( -1.881 13.678 -9.998) 17.047 22.649 ( -2.385 4.648 11.789) 12.895 24.609 ( -0.313 -10.793 -4.811) 11.821 24.801 ( 0.497 -9.634 -7.140) 12.002 25.723 ( -0.147 -10.699 -0.388) 10.707 26.452 ( -1.224 -16.183 5.660) 17.188 ======================= Grid point 119 (57/140) ======================= q-point: (-0.33 0.31 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( 0.720 3.072 -2.417) 3.974 2.029 ( -1.625 -4.057 -0.416) 4.391 2.588 ( 6.307 25.100 -0.038) 25.880 2.857 ( 1.268 5.690 -5.093) 7.741 3.081 ( -2.331 5.789 -1.614) 6.446 3.147 ( -2.734 12.319 13.665) 18.600 3.475 ( -1.544 9.025 -0.677) 9.181 3.657 ( 5.991 -0.936 1.974) 6.377 4.015 ( -1.413 0.603 5.434) 5.647 4.185 ( 2.582 9.735 -0.156) 10.072 4.273 ( 7.873 10.886 3.166) 13.803 4.598 ( -3.134 8.442 -1.507) 9.130 4.786 ( -3.596 2.084 -8.687) 9.630 4.861 ( -3.752 11.980 0.727) 12.575 5.051 ( -1.916 5.077 0.553) 5.455 5.365 ( 5.784 5.189 10.023) 12.682 5.437 ( -4.112 7.735 8.988) 12.551 5.621 ( 3.610 -1.679 -1.122) 4.137 5.855 ( 10.234 3.925 5.540) 12.281 5.907 ( -0.591 1.394 -3.834) 4.122 6.084 ( 2.660 -6.383 -6.051) 9.189 6.230 ( -1.070 -6.974 -1.908) 7.309 6.360 ( -6.305 8.063 -2.610) 10.563 6.557 ( -0.647 3.234 -1.142) 3.490 6.826 ( -0.172 -2.775 -2.050) 3.454 6.990 ( -1.642 2.725 -0.725) 3.263 7.039 ( 3.296 3.202 -11.926) 12.781 7.270 ( 0.482 8.600 -2.738) 9.038 7.397 ( -3.927 5.141 3.334) 7.278 7.660 ( -3.861 5.066 3.097) 7.083 7.927 ( -1.964 7.674 3.559) 8.684 8.066 ( -1.453 2.397 -3.073) 4.159 8.441 ( 0.434 16.612 8.029) 18.456 8.718 ( -2.538 11.285 11.761) 16.496 8.897 ( -2.853 10.175 -6.668) 12.495 9.286 ( -0.648 17.000 -4.442) 17.582 9.632 ( -1.371 16.935 4.668) 17.620 9.650 ( 1.441 4.327 -0.222) 4.566 9.701 ( 4.051 7.901 -2.079) 9.119 9.884 ( 0.035 15.301 4.798) 16.035 10.409 ( 1.269 16.430 -7.708) 18.192 10.600 ( 0.575 13.452 -3.710) 13.966 10.742 ( 0.786 4.010 -0.067) 4.087 10.998 ( -0.432 0.778 -0.159) 0.904 11.156 ( 1.944 14.330 -4.360) 15.104 11.331 ( 2.257 37.402 -0.790) 37.479 11.545 ( 0.627 11.864 4.483) 12.699 11.750 ( -0.910 12.967 11.613) 17.431 11.877 ( 0.832 23.395 -8.952) 25.063 12.240 ( -1.565 33.659 6.797) 34.375 12.823 ( 2.775 -3.619 -7.532) 8.805 13.073 ( -0.456 3.384 2.845) 4.444 13.204 ( 0.430 20.049 -1.729) 20.128 13.282 ( -1.815 -7.236 3.405) 8.200 13.304 ( 0.741 -12.278 -0.905) 12.334 13.784 ( 1.213 -7.298 -1.315) 7.514 14.758 ( -2.353 -2.945 -2.120) 4.324 14.963 ( 1.722 -8.372 -1.970) 8.771 17.660 ( -2.003 27.872 -3.300) 28.139 18.003 ( 4.007 19.756 6.534) 21.191 18.370 ( 0.580 7.722 -5.216) 9.336 18.698 ( 1.878 -0.221 2.746) 3.333 19.525 ( -0.775 5.594 -18.228) 19.083 20.296 ( 0.074 -5.366 10.592) 11.874 21.668 ( -2.138 16.760 3.015) 17.163 21.961 ( 8.596 15.159 10.562) 20.378 22.195 ( 6.543 13.351 -8.185) 16.972 22.653 ( -1.660 1.728 10.949) 11.208 24.505 ( -8.467 -10.309 -4.216) 13.991 24.758 ( -1.339 -6.794 -7.913) 10.515 25.718 ( -0.024 -9.300 -0.283) 9.304 26.434 ( -2.811 -15.874 5.847) 17.149 ======================= Grid point 120 (58/140) ======================= q-point: (-0.17 0.31 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 1.082 1.599 -0.890) 2.126 2.003 ( -0.434 -1.214 -1.894) 2.291 2.778 ( 12.160 27.149 -1.398) 29.781 2.861 ( 0.706 12.026 -6.544) 13.709 3.019 ( -2.992 2.698 -0.588) 4.072 3.168 ( 0.118 16.865 11.342) 20.325 3.472 ( 1.577 6.105 1.473) 6.475 3.787 ( 5.859 -1.591 0.417) 6.086 3.950 ( -4.546 1.166 0.413) 4.712 4.201 ( -0.731 9.152 -0.376) 9.188 4.408 ( 0.993 2.814 1.242) 3.233 4.561 ( -5.270 12.680 1.004) 13.768 4.681 ( -4.502 4.237 0.678) 6.219 4.847 ( 6.162 12.650 6.658) 15.566 5.028 ( -0.578 -2.396 3.859) 4.579 5.293 ( -7.381 8.939 9.778) 15.166 5.532 ( -0.511 2.615 7.603) 8.056 5.742 ( 4.675 5.241 -0.459) 7.038 5.952 ( 3.641 -0.524 -3.874) 5.342 5.978 ( 5.491 4.485 -5.145) 8.760 6.154 ( -1.725 -6.597 -3.747) 7.781 6.189 ( 9.773 4.618 -1.745) 10.949 6.237 ( -4.281 4.481 -3.052) 6.908 6.556 ( 0.177 2.226 -2.645) 3.462 6.815 ( -0.609 -3.519 -1.227) 3.776 6.909 ( -5.886 1.581 -2.460) 6.572 7.047 ( 1.122 4.785 -7.932) 9.331 7.255 ( 0.035 5.133 1.339) 5.305 7.334 ( -3.083 6.833 2.338) 7.852 7.620 ( -1.312 5.211 -2.906) 6.109 7.888 ( -3.752 7.340 4.752) 9.515 8.009 ( 0.064 2.600 -8.898) 9.270 8.482 ( -0.060 15.538 8.645) 17.781 8.717 ( -3.341 11.198 12.039) 16.778 8.820 ( -1.451 8.468 -5.433) 10.165 9.269 ( 0.793 18.151 -4.642) 18.752 9.623 ( -1.810 18.699 7.539) 20.243 9.687 ( 1.882 1.591 0.032) 2.464 9.765 ( 2.457 7.148 -1.245) 7.660 9.905 ( 0.590 14.640 3.332) 15.026 10.395 ( 0.573 16.446 -7.608) 18.130 10.593 ( 0.310 15.027 -3.627) 15.462 10.767 ( 2.256 4.556 -2.391) 5.618 10.972 ( -2.362 0.746 1.527) 2.910 11.169 ( 1.117 12.918 -4.857) 13.846 11.387 ( 3.482 37.732 -1.007) 37.906 11.569 ( -0.292 9.909 4.144) 10.744 11.776 ( -1.582 9.981 11.106) 15.015 11.860 ( 1.455 24.127 -8.822) 25.731 12.239 ( -1.562 34.818 7.717) 35.697 12.837 ( 1.568 -4.615 -6.438) 8.075 13.070 ( -0.548 2.593 1.259) 2.935 13.224 ( 1.785 23.666 -1.476) 23.779 13.268 ( -0.840 -7.761 3.569) 8.583 13.309 ( -0.118 -13.862 -0.344) 13.866 13.802 ( 1.136 -6.410 -2.046) 6.824 14.710 ( -1.336 -2.952 -2.056) 3.837 14.983 ( 0.989 -8.559 -1.540) 8.752 17.631 ( 0.093 28.475 -1.076) 28.495 18.095 ( 1.792 16.708 5.899) 17.809 18.364 ( 1.314 7.436 -5.798) 9.521 18.725 ( -0.013 -0.706 1.787) 1.921 19.482 ( 3.585 6.267 -14.002) 15.754 20.279 ( -5.203 -5.840 6.149) 9.949 21.642 ( -1.286 16.652 1.192) 16.744 22.015 ( -0.469 16.791 -6.784) 18.116 22.454 ( 11.170 8.299 8.584) 16.350 22.711 ( 5.954 -9.165 8.272) 13.707 24.274 ( -12.228 -4.252 -1.553) 13.039 24.703 ( -0.575 -5.585 -7.863) 9.662 25.725 ( 0.785 -7.243 0.090) 7.286 26.398 ( -3.135 -15.478 6.485) 17.072 ======================= Grid point 121 (59/140) ======================= q-point: ( 0.00 0.38 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( 1.070 3.419 0.545) 3.624 1.968 ( -0.036 -2.167 -0.567) 2.241 2.975 ( -0.470 2.311 1.922) 3.042 3.056 ( 1.416 4.913 -8.284) 9.735 3.369 ( 5.922 11.126 -4.833) 13.498 3.487 ( -3.430 7.738 0.460) 8.476 3.655 ( 1.303 4.551 5.323) 7.124 3.863 ( -0.786 -0.128 4.870) 4.934 4.031 ( 2.357 14.136 -0.748) 14.351 4.432 ( 4.189 -0.450 -0.091) 4.214 4.469 ( 1.077 15.767 3.554) 16.198 4.583 ( -10.712 7.697 6.924) 14.898 4.709 ( 0.485 1.850 -0.183) 1.921 4.936 ( -2.901 -1.318 8.653) 9.221 5.030 ( -3.907 -1.910 13.905) 14.569 5.410 ( -6.264 -1.035 3.440) 7.221 5.618 ( 4.447 5.796 -3.398) 8.057 5.678 ( -7.348 7.593 -2.715) 10.909 5.937 ( 3.476 -7.943 3.117) 9.214 6.058 ( 2.015 -2.041 -4.355) 5.215 6.281 ( -0.449 4.976 -4.137) 6.487 6.352 ( 9.581 7.812 -5.504) 13.532 6.435 ( 4.286 1.062 -3.563) 5.674 6.579 ( 0.792 2.519 0.346) 2.663 6.723 ( -0.894 -2.136 -5.691) 6.145 6.776 ( -4.665 -1.287 -4.057) 6.315 7.132 ( -1.120 5.429 -1.318) 5.698 7.343 ( -3.361 -0.340 3.279) 4.708 7.435 ( 3.830 7.464 3.945) 9.271 7.699 ( 1.774 2.683 -1.985) 3.780 7.942 ( -3.834 5.916 -1.909) 7.304 8.062 ( 4.431 0.837 -8.258) 9.409 8.777 ( -1.176 11.845 4.906) 12.874 8.860 ( -0.805 5.463 3.772) 6.688 8.982 ( -0.394 9.743 4.779) 10.859 9.669 ( 1.401 13.715 -2.108) 13.946 9.693 ( -0.708 0.960 1.492) 1.910 9.894 ( 1.977 3.408 -2.802) 4.834 9.972 ( -2.843 17.054 5.655) 18.190 10.155 ( -0.816 8.882 1.430) 9.033 10.613 ( 1.734 7.376 -10.053) 12.589 10.725 ( 2.055 4.529 -4.605) 6.778 10.906 ( 0.553 1.110 2.310) 2.622 10.959 ( -3.433 4.037 4.981) 7.273 11.380 ( -0.947 5.996 0.033) 6.070 11.481 ( -1.789 -6.765 2.806) 7.539 11.764 ( 0.092 -6.153 -0.750) 6.200 11.899 ( 1.422 3.903 1.494) 4.415 12.364 ( 1.371 15.081 -7.941) 17.099 12.774 ( 0.125 -2.269 1.956) 2.998 12.864 ( 1.808 11.899 -8.693) 14.847 13.035 ( -0.773 0.359 3.869) 3.962 13.225 ( -0.300 18.992 1.172) 19.030 13.401 ( -2.141 17.009 8.015) 18.924 13.875 ( 1.090 29.026 -2.484) 29.153 13.969 ( 0.036 18.234 -2.033) 18.347 14.678 ( -0.005 1.715 -1.033) 2.003 14.859 ( 1.062 -4.605 -1.721) 5.030 18.112 ( 1.258 17.572 0.508) 17.624 18.343 ( -1.942 8.881 1.441) 9.204 18.478 ( 1.537 2.963 -3.604) 4.913 18.674 ( -1.178 -3.074 -0.176) 3.297 19.662 ( 5.271 4.932 -2.744) 7.722 20.042 ( -5.696 -6.533 0.577) 8.686 21.878 ( -0.280 8.319 2.449) 8.676 22.270 ( -2.083 12.291 -6.980) 14.287 22.485 ( -0.886 -14.104 6.033) 15.366 22.685 ( 2.321 0.141 6.027) 6.460 24.173 ( 0.458 2.331 0.074) 2.377 24.535 ( 0.544 -8.218 -3.406) 8.912 25.650 ( 0.319 -1.909 -0.309) 1.960 26.076 ( -0.527 -14.130 2.225) 14.314 ======================= Grid point 122 (60/140) ======================= q-point: ( 0.17 0.38 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 0.767 3.386 0.742) 3.550 1.958 ( -0.619 -2.398 -0.444) 2.516 2.950 ( -2.072 4.761 -1.656) 5.450 3.065 ( 2.443 7.464 -5.142) 9.387 3.345 ( -6.324 9.777 -4.827) 12.604 3.473 ( 0.332 4.402 3.598) 5.695 3.657 ( -4.292 2.230 5.479) 7.308 3.780 ( -7.574 1.926 7.064) 10.534 4.042 ( -1.106 16.230 3.734) 16.691 4.401 ( -3.769 8.148 6.017) 10.807 4.574 ( 9.607 3.918 -3.327) 10.896 4.609 ( 0.954 10.183 1.044) 10.281 4.685 ( 1.731 2.585 -0.480) 3.148 4.976 ( 4.220 2.977 3.468) 6.221 5.050 ( 1.174 -3.226 12.794) 13.247 5.231 ( -8.068 -5.278 4.653) 10.706 5.525 ( -7.376 9.108 -4.543) 12.569 5.724 ( 3.898 4.004 -4.073) 6.915 5.905 ( -7.417 -2.311 -3.348) 8.459 6.090 ( 1.184 -5.296 -0.488) 5.448 6.214 ( -6.674 2.360 0.226) 7.082 6.320 ( -6.074 0.207 -5.254) 8.034 6.513 ( 3.901 5.731 0.041) 6.933 6.566 ( -2.888 4.532 3.770) 6.564 6.739 ( 5.514 -3.073 -6.573) 9.113 6.786 ( 6.583 -2.304 -5.398) 8.819 7.116 ( 0.327 5.337 -2.793) 6.033 7.312 ( -0.680 -1.198 2.016) 2.442 7.554 ( 5.234 8.644 3.214) 10.604 7.765 ( 5.183 3.989 -0.405) 6.553 7.879 ( -0.976 6.435 -1.299) 6.637 8.106 ( 2.678 -0.347 -7.229) 7.717 8.761 ( -1.671 13.379 2.849) 13.780 8.894 ( 0.840 7.044 8.905) 11.386 9.011 ( 1.884 6.771 1.948) 7.293 9.679 ( -1.395 -2.600 5.038) 5.839 9.693 ( 1.970 16.828 -5.712) 17.880 9.890 ( -1.778 11.782 -0.735) 11.938 9.958 ( -0.019 10.355 2.883) 10.749 10.140 ( -1.350 8.397 1.661) 8.666 10.604 ( 1.679 7.038 -11.048) 13.206 10.741 ( 1.055 6.493 -4.346) 7.884 10.910 ( -1.699 7.217 4.641) 8.747 10.932 ( -0.342 -3.505 2.950) 4.594 11.365 ( -0.290 6.425 -0.178) 6.434 11.470 ( -0.399 -6.556 2.464) 7.016 11.759 ( -0.240 -3.826 -1.310) 4.051 11.913 ( -1.056 3.236 3.380) 4.797 12.365 ( 2.303 13.731 -9.070) 16.616 12.778 ( -0.255 -3.282 1.026) 3.449 12.864 ( 1.424 14.317 -6.887) 15.951 13.041 ( -0.136 2.203 3.230) 3.912 13.219 ( -0.781 17.755 0.917) 17.795 13.399 ( -1.381 16.613 7.682) 18.355 13.866 ( -0.819 28.392 -1.983) 28.473 13.936 ( -2.296 16.688 -1.736) 16.935 14.695 ( 2.221 1.814 -1.522) 3.247 14.872 ( 0.816 -3.413 -1.546) 3.835 18.143 ( 1.405 16.422 0.874) 16.505 18.308 ( -1.926 10.957 1.433) 11.216 18.492 ( 1.298 3.214 -3.443) 4.886 18.641 ( -1.628 -1.962 -1.369) 2.894 19.784 ( 7.127 0.812 0.613) 7.200 19.927 ( -5.157 -3.443 -2.623) 6.733 21.893 ( 0.633 8.496 3.090) 9.063 22.176 ( -5.486 9.603 -1.705) 11.190 22.469 ( -1.475 -4.596 0.916) 4.913 22.721 ( -1.189 -1.015 6.021) 6.221 24.251 ( 6.492 -2.019 0.107) 6.799 24.543 ( 1.582 -8.952 -3.594) 9.775 25.640 ( -1.057 -1.838 -0.272) 2.137 26.089 ( 0.806 -14.490 2.147) 14.670 ======================= Grid point 123 (61/140) ======================= q-point: ( 0.33 0.38 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( -0.504 3.263 -0.400) 3.326 1.948 ( -0.230 -3.626 -0.016) 3.634 2.901 ( -1.089 9.408 -3.663) 10.155 3.112 ( 2.381 10.341 0.037) 10.611 3.161 ( -8.003 5.956 -1.371) 10.070 3.471 ( -6.177 -1.424 -2.233) 6.721 3.529 ( -4.361 6.757 10.301) 13.069 3.710 ( -3.910 1.671 9.847) 10.725 4.069 ( 1.553 14.253 2.793) 14.607 4.392 ( 0.062 8.476 3.283) 9.090 4.475 ( -6.875 8.594 0.818) 11.036 4.752 ( 3.742 4.369 3.675) 6.826 4.861 ( 13.233 7.326 -8.030) 17.125 5.011 ( -0.410 -0.664 -4.074) 4.148 5.149 ( 3.789 2.848 2.627) 5.419 5.260 ( 6.926 -2.373 9.155) 11.723 5.383 ( -4.176 3.667 -0.031) 5.557 5.657 ( -7.949 0.479 -4.408) 9.102 5.748 ( -4.919 1.460 -3.423) 6.168 6.032 ( -9.984 -4.539 -0.423) 10.976 6.064 ( -3.172 -3.326 0.932) 4.690 6.183 ( -6.291 -3.083 0.868) 7.060 6.531 ( -1.661 4.900 1.229) 5.318 6.595 ( 4.324 2.687 -0.800) 5.153 6.841 ( 5.446 -0.929 -4.598) 7.188 6.900 ( 6.000 -2.238 -4.337) 7.734 7.116 ( 1.401 5.136 -5.336) 7.537 7.331 ( 1.682 -1.670 1.017) 2.579 7.607 ( -0.399 12.183 -0.478) 12.199 7.853 ( 2.857 5.886 -0.158) 6.545 7.930 ( 4.149 3.378 7.338) 9.081 8.103 ( 0.225 -1.271 -6.107) 6.242 8.743 ( -1.243 15.112 2.939) 15.445 8.941 ( -0.417 8.632 10.568) 13.652 9.056 ( 1.983 3.459 -1.545) 4.276 9.671 ( -1.442 -1.748 4.508) 5.045 9.698 ( 0.615 15.602 -4.979) 16.388 9.863 ( 0.035 16.393 -0.585) 16.404 9.966 ( -0.307 8.507 0.376) 8.521 10.123 ( -1.042 9.670 2.951) 10.164 10.591 ( 1.894 4.692 -11.909) 12.939 10.725 ( -0.862 8.221 -2.921) 8.767 10.913 ( -0.011 6.714 5.256) 8.526 10.945 ( 0.353 -3.045 1.985) 3.652 11.371 ( 0.855 6.420 0.093) 6.478 11.483 ( 0.354 -5.077 3.297) 6.064 11.743 ( -0.532 -0.986 -2.142) 2.417 11.891 ( -2.569 2.267 4.475) 5.636 12.377 ( 2.773 13.910 -10.303) 17.531 12.776 ( -0.290 -3.100 0.791) 3.212 12.861 ( 1.062 14.771 -6.763) 16.280 13.054 ( -0.023 2.704 3.325) 4.286 13.204 ( -0.944 17.568 0.819) 17.613 13.409 ( -0.637 16.215 6.864) 17.620 13.835 ( -1.474 26.108 -1.983) 26.225 13.885 ( -1.893 15.701 -0.543) 15.824 14.742 ( 2.978 1.730 -2.036) 4.001 14.870 ( -0.408 -1.710 -1.946) 2.623 18.162 ( 0.304 15.582 -0.854) 15.608 18.286 ( -1.181 13.412 2.959) 13.785 18.499 ( 0.904 3.611 -3.678) 5.233 18.615 ( -0.245 -0.969 -0.296) 1.043 19.801 ( -2.879 -0.133 -10.875) 11.250 19.952 ( 5.571 -3.574 9.343) 11.450 21.926 ( 1.384 8.328 4.028) 9.354 22.060 ( -6.297 8.924 3.782) 11.558 22.445 ( -0.173 3.140 -4.545) 5.527 22.707 ( -2.258 -0.539 5.482) 5.953 24.377 ( 5.310 -6.624 -0.499) 8.504 24.561 ( 1.662 -10.430 -3.587) 11.154 25.616 ( -1.062 -1.532 -0.454) 1.918 26.114 ( 0.701 -15.167 2.015) 15.316 ======================= Grid point 124 (62/140) ======================= q-point: (-0.50 0.38 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( -0.962 3.421 -1.800) 3.984 1.948 ( 0.082 -4.313 0.225) 4.320 2.906 ( 3.398 11.528 -2.606) 12.297 3.004 ( -5.196 9.153 1.084) 10.581 3.229 ( 6.638 6.292 1.350) 9.245 3.292 ( -8.240 2.745 0.884) 8.730 3.562 ( 1.078 3.271 6.715) 7.547 3.685 ( -2.375 2.836 8.332) 9.116 4.096 ( 0.167 10.019 1.276) 10.101 4.379 ( -2.184 9.004 0.967) 9.316 4.412 ( -0.177 9.635 1.567) 9.763 4.766 ( -2.501 3.139 1.831) 4.411 4.903 ( -4.329 -2.321 -8.687) 9.979 5.058 ( 0.653 3.755 -3.529) 5.195 5.220 ( 4.283 7.874 0.015) 8.963 5.314 ( 4.552 7.246 0.067) 8.557 5.498 ( 6.339 -0.583 1.837) 6.625 5.614 ( 1.686 0.699 5.432) 5.731 5.645 ( -0.502 -0.163 2.208) 2.270 5.883 ( -2.487 -4.476 -0.431) 5.138 6.023 ( -1.795 -3.919 -0.407) 4.330 6.099 ( -2.512 -6.752 2.136) 7.514 6.505 ( -0.978 4.370 -2.005) 4.906 6.660 ( 1.572 1.629 0.624) 2.349 6.849 ( -2.079 -0.122 -6.605) 6.926 6.967 ( 2.235 -2.694 -3.790) 5.159 7.135 ( 2.877 5.797 -6.659) 9.286 7.367 ( 1.419 -0.486 0.424) 1.559 7.576 ( -1.763 11.074 -1.269) 11.285 7.841 ( -4.481 4.603 2.774) 6.997 8.031 ( 2.072 3.228 5.862) 7.006 8.091 ( 0.490 -0.790 -2.033) 2.235 8.743 ( -0.132 15.141 3.564) 15.555 8.958 ( -2.071 10.068 10.001) 14.342 9.060 ( -0.557 2.412 -3.608) 4.376 9.656 ( -1.040 6.572 1.517) 6.825 9.691 ( 0.243 7.984 -1.957) 8.224 9.866 ( 0.249 12.179 -4.262) 12.905 9.963 ( 0.163 13.756 2.684) 14.016 10.130 ( 0.257 10.676 3.625) 11.278 10.586 ( 2.597 2.590 -11.506) 12.077 10.700 ( -0.363 8.058 -2.511) 8.449 10.945 ( 0.679 8.652 5.041) 10.036 10.950 ( -0.707 -3.473 2.272) 4.210 11.391 ( 0.768 6.273 0.491) 6.339 11.504 ( 0.076 -4.129 4.442) 6.065 11.733 ( 0.732 0.012 -2.626) 2.726 11.858 ( -2.423 1.489 4.063) 4.959 12.385 ( 2.365 15.548 -10.562) 18.945 12.771 ( -0.838 -2.152 1.602) 2.811 12.854 ( 1.562 12.850 -8.323) 15.389 13.063 ( -0.688 0.281 3.701) 3.775 13.197 ( -0.023 19.524 1.150) 19.558 13.425 ( -0.668 16.352 6.569) 17.635 13.801 ( -0.648 23.937 -2.507) 24.077 13.872 ( 0.579 16.769 0.152) 16.780 14.779 ( 1.017 1.698 -1.798) 2.674 14.847 ( -0.507 -1.247 -2.787) 3.095 18.147 ( -0.930 16.104 -2.655) 16.348 18.288 ( 0.028 14.012 4.129) 14.607 18.497 ( 0.456 3.794 -4.065) 5.579 18.632 ( 1.328 -1.505 1.913) 2.773 19.706 ( -2.133 3.054 -11.159) 11.764 20.083 ( 3.272 -6.957 10.094) 12.688 21.965 ( -2.459 8.166 1.866) 8.730 22.002 ( 1.931 7.536 9.101) 11.973 22.426 ( 0.708 7.370 -7.975) 10.881 22.682 ( -2.567 -1.096 5.381) 6.062 24.420 ( -0.672 -7.165 -1.500) 7.351 24.577 ( 1.209 -11.325 -3.075) 11.797 25.602 ( -0.055 -1.354 -0.638) 1.498 26.126 ( -0.377 -15.476 1.950) 15.603 ======================= Grid point 125 (63/140) ======================= q-point: (-0.33 0.38 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( -0.195 3.588 -1.720) 3.984 1.952 ( 0.392 -3.599 0.039) 3.621 2.946 ( -0.058 4.735 -1.383) 4.934 3.023 ( 7.827 13.238 -2.493) 15.580 3.171 ( -3.599 6.272 -0.957) 7.294 3.378 ( 6.577 7.744 5.061) 11.351 3.612 ( 1.287 2.733 4.249) 5.214 3.686 ( -0.001 4.552 5.807) 7.379 4.073 ( -2.880 6.326 0.671) 6.983 4.346 ( -0.526 5.786 -2.099) 6.177 4.471 ( 3.567 8.682 2.961) 9.842 4.692 ( -1.321 0.495 -5.193) 5.381 4.802 ( -3.466 0.962 0.640) 3.654 4.985 ( -4.724 0.214 2.533) 5.364 5.189 ( -6.683 9.681 7.962) 14.205 5.486 ( -8.596 1.766 12.485) 15.260 5.524 ( 6.649 5.245 3.619) 9.209 5.682 ( 16.285 6.588 -7.649) 19.160 5.807 ( 6.583 -5.020 0.280) 8.284 5.958 ( -0.387 0.494 -3.524) 3.580 5.996 ( 8.550 -2.401 -2.943) 9.355 6.098 ( 1.560 -5.733 -0.496) 5.962 6.472 ( -2.222 3.364 -3.160) 5.122 6.611 ( -5.032 1.377 -2.559) 5.810 6.791 ( -0.179 -0.040 -4.578) 4.582 6.962 ( -0.981 -2.893 -3.059) 4.323 7.155 ( 1.310 6.112 -4.085) 7.467 7.387 ( -0.060 0.816 2.097) 2.251 7.526 ( -2.940 8.808 -2.693) 9.669 7.747 ( -5.135 3.415 3.245) 6.968 8.034 ( -1.478 2.788 -1.593) 3.535 8.094 ( -1.368 0.716 2.061) 2.576 8.758 ( -0.118 13.593 3.994) 14.168 8.947 ( -3.155 9.108 8.964) 13.163 9.015 ( -2.030 5.424 -2.892) 6.473 9.649 ( -0.196 9.938 0.494) 9.952 9.692 ( 0.614 6.345 -1.610) 6.575 9.849 ( 0.504 5.555 -3.978) 6.851 9.987 ( 0.230 17.300 4.226) 17.810 10.152 ( 0.286 10.714 2.985) 11.126 10.599 ( 3.298 2.613 -10.921) 11.704 10.693 ( 0.773 7.073 -2.762) 7.632 10.922 ( -2.127 1.260 1.026) 2.677 10.985 ( 0.199 4.789 6.454) 8.039 11.400 ( -0.076 5.769 0.650) 5.806 11.516 ( -0.883 -4.179 4.674) 6.332 11.752 ( 1.982 -2.971 -2.473) 4.344 11.836 ( -1.008 2.761 2.785) 4.049 12.383 ( 1.598 16.939 -9.503) 19.488 12.759 ( -0.748 -0.852 1.604) 1.964 12.857 ( 2.218 10.612 -8.860) 14.001 13.055 ( -1.458 -1.919 3.490) 4.241 13.210 ( 0.449 20.558 1.966) 20.657 13.429 ( -1.811 16.470 6.883) 17.942 13.803 ( 1.995 25.576 -2.762) 25.802 13.902 ( 2.429 17.248 -0.480) 17.424 14.754 ( -2.340 2.571 -1.211) 3.682 14.844 ( 1.022 -2.964 -3.128) 4.429 18.115 ( -1.014 17.441 -2.374) 17.632 18.320 ( 1.272 11.848 4.264) 12.656 18.484 ( 0.087 3.683 -4.483) 5.803 18.666 ( 0.975 -2.752 2.537) 3.868 19.634 ( -0.548 5.691 -10.244) 11.731 20.149 ( -0.705 -8.739 9.090) 12.629 21.917 ( -2.616 8.341 2.601) 9.120 22.142 ( 7.504 2.550 8.448) 11.584 22.408 ( 1.082 7.940 -8.801) 11.903 22.652 ( -2.637 -1.049 5.331) 6.040 24.351 ( -5.277 -4.795 -1.327) 7.253 24.574 ( -0.254 -10.172 -3.093) 10.635 25.609 ( 1.045 -1.364 -0.673) 1.845 26.116 ( -1.484 -15.164 2.019) 15.370 ======================= Grid point 126 (64/140) ======================= q-point: (-0.17 0.38 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( 0.486 3.419 -0.543) 3.496 1.963 ( 0.645 -2.678 -0.355) 2.778 2.959 ( 1.467 3.578 -0.919) 3.975 3.075 ( -0.466 2.105 -4.625) 5.103 3.231 ( 8.922 14.684 -3.625) 17.560 3.512 ( 3.592 9.901 4.013) 11.271 3.606 ( -1.185 6.580 2.806) 7.251 3.772 ( 5.558 1.127 4.452) 7.210 4.020 ( -1.298 7.834 -1.344) 8.054 4.358 ( 2.484 3.570 -0.472) 4.375 4.474 ( -2.279 6.863 1.792) 7.450 4.705 ( -0.352 0.437 -2.026) 2.102 4.762 ( -4.171 3.585 4.667) 7.213 4.981 ( 2.102 2.342 9.183) 9.707 5.041 ( -10.745 5.851 12.633) 17.586 5.401 ( -3.399 1.845 11.265) 11.910 5.606 ( 2.032 4.368 -0.820) 4.887 5.850 ( -4.636 1.522 -0.185) 4.883 5.886 ( 0.841 -3.203 -2.091) 3.917 6.025 ( 2.989 -3.084 -5.848) 7.255 6.066 ( 15.933 3.424 -7.160) 17.800 6.267 ( 12.166 2.480 -3.716) 12.961 6.364 ( -4.261 5.791 -4.446) 8.453 6.572 ( 0.845 -0.748 -2.406) 2.658 6.769 ( -0.889 -0.317 -4.525) 4.622 6.900 ( -4.691 -2.005 -2.221) 5.564 7.155 ( -0.341 5.694 -1.223) 5.834 7.378 ( -1.970 2.225 5.749) 6.472 7.439 ( -4.258 7.081 -1.533) 8.404 7.698 ( -0.753 2.365 -0.604) 2.554 8.003 ( -0.985 3.578 -1.080) 3.865 8.050 ( -1.487 1.716 -4.862) 5.366 8.769 ( -0.486 11.920 4.921) 12.905 8.899 ( -3.804 5.187 3.206) 7.187 8.984 ( -1.409 10.421 3.624) 11.123 9.653 ( 0.764 12.686 -0.993) 12.748 9.697 ( 0.072 3.363 -0.053) 3.364 9.862 ( 2.024 2.893 -2.584) 4.375 9.994 ( -1.429 17.385 4.912) 18.122 10.161 ( -0.394 10.079 2.031) 10.289 10.615 ( 2.474 5.288 -10.252) 11.797 10.706 ( 1.745 4.967 -3.968) 6.593 10.895 ( -0.848 1.309 2.138) 2.647 10.994 ( -1.885 4.732 5.430) 7.445 11.395 ( -0.635 5.424 0.478) 5.482 11.506 ( -1.856 -5.285 3.916) 6.835 11.766 ( 0.138 -6.913 -1.092) 7.000 11.855 ( 2.058 4.818 0.936) 5.322 12.373 ( 1.144 16.633 -8.119) 18.544 12.761 ( 0.190 -0.866 1.745) 1.957 12.863 ( 2.053 10.256 -9.119) 13.876 13.041 ( -1.386 -1.591 3.828) 4.371 13.222 ( -0.023 20.049 1.767) 20.126 13.415 ( -2.429 16.773 7.533) 18.547 13.844 ( 2.869 27.859 -2.720) 28.138 13.950 ( 2.411 18.169 -1.472) 18.387 14.703 ( -2.014 2.248 -0.981) 3.174 14.850 ( 0.771 -4.326 -2.449) 5.030 18.098 ( 0.111 18.046 -0.955) 18.072 18.354 ( 0.098 9.190 3.358) 9.785 18.470 ( 0.670 3.284 -4.551) 5.652 18.684 ( -0.125 -3.352 1.582) 3.709 19.611 ( 2.080 6.716 -7.363) 10.181 20.129 ( -4.179 -8.540 5.576) 11.022 21.886 ( -1.527 8.187 2.213) 8.617 22.293 ( 3.363 8.242 -1.780) 9.078 22.426 ( 3.711 -8.130 1.747) 9.106 22.634 ( -0.636 1.816 4.970) 5.330 24.232 ( -5.558 -0.041 -0.482) 5.579 24.550 ( -0.568 -8.703 -3.285) 9.319 25.633 ( 1.407 -1.610 -0.521) 2.201 26.091 ( -1.726 -14.499 2.160) 14.760 ======================= Grid point 127 (65/140) ======================= q-point: ( 0.00 0.46 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( 0.689 4.415 0.884) 4.555 1.907 ( 0.146 -3.804 0.623) 3.857 3.032 ( 0.388 3.069 -0.492) 3.133 3.083 ( 1.635 -1.376 -3.532) 4.128 3.508 ( 2.641 3.818 -5.094) 6.892 3.549 ( -1.198 -0.228 -3.483) 3.690 3.757 ( 0.145 5.165 5.232) 7.353 3.838 ( -0.364 -2.549 5.316) 5.907 4.269 ( 4.038 8.091 -1.675) 9.197 4.385 ( 4.164 -3.897 0.074) 5.704 4.654 ( -2.460 1.322 3.602) 4.558 4.665 ( 0.034 0.776 2.183) 2.317 4.912 ( 1.835 12.581 7.711) 14.870 4.960 ( -10.426 3.474 13.296) 17.250 5.019 ( -6.852 4.614 10.236) 13.154 5.293 ( -7.570 -11.108 2.271) 13.632 5.689 ( 3.031 3.118 -0.426) 4.369 5.762 ( 3.017 -3.515 0.010) 4.632 5.887 ( -0.863 5.609 -3.572) 6.706 5.996 ( 2.035 -4.219 -5.280) 7.058 6.358 ( 0.710 2.883 -5.815) 6.529 6.409 ( 1.115 -2.016 -6.257) 6.668 6.498 ( 8.990 5.629 -3.777) 11.259 6.584 ( 5.351 -2.317 -0.423) 5.846 6.714 ( -3.582 0.798 -5.387) 6.518 6.743 ( -5.194 -1.711 -3.432) 6.456 7.233 ( -2.288 4.424 2.383) 5.521 7.307 ( -3.362 -2.844 3.840) 5.843 7.589 ( 2.580 6.894 3.298) 8.066 7.693 ( 1.620 -3.019 1.973) 3.954 8.033 ( -0.587 2.963 -5.171) 5.988 8.066 ( 2.364 -0.521 -6.569) 7.001 8.930 ( -0.019 3.121 0.689) 3.196 8.937 ( 0.599 2.153 1.852) 2.902 9.233 ( -2.235 14.532 7.922) 16.701 9.521 ( -2.090 -12.437 7.490) 14.668 9.915 ( 1.329 6.233 -3.535) 7.288 9.978 ( 2.670 1.921 -7.040) 7.770 10.252 ( -1.824 9.149 2.654) 9.699 10.306 ( 0.076 5.406 -2.429) 5.927 10.720 ( 2.321 4.911 -7.440) 9.212 10.807 ( 1.530 -1.755 -3.889) 4.532 10.885 ( -1.193 3.747 2.800) 4.828 11.013 ( -2.060 -4.034 3.579) 5.772 11.364 ( -2.092 3.335 5.076) 6.424 11.463 ( -2.560 -3.381 2.929) 5.154 11.655 ( 0.971 0.174 -0.221) 1.011 11.789 ( 1.198 -9.457 1.237) 9.613 12.470 ( -0.197 0.630 -1.583) 1.715 12.568 ( 0.012 -9.293 -2.320) 9.578 13.102 ( 2.500 8.402 -7.871) 11.781 13.137 ( 1.960 4.780 -4.992) 7.184 13.656 ( -1.242 14.007 4.138) 14.658 13.706 ( -1.740 8.619 6.429) 10.892 14.272 ( 0.183 10.253 -0.703) 10.278 14.301 ( -0.509 8.560 0.249) 8.579 14.751 ( 0.427 4.451 -1.924) 4.867 14.806 ( 1.367 -1.212 -2.153) 2.824 18.386 ( 0.229 9.731 0.165) 9.735 18.479 ( -0.222 5.124 0.002) 5.129 18.496 ( 0.690 -1.441 -2.163) 2.689 18.586 ( -0.240 -5.403 0.178) 5.411 19.772 ( 1.275 5.974 -0.655) 6.143 19.903 ( -2.586 -6.868 0.680) 7.371 22.017 ( -0.578 6.700 4.779) 8.250 22.193 ( -1.359 -11.159 6.646) 13.059 22.504 ( 0.843 8.707 -4.369) 9.778 22.643 ( 0.798 -4.712 0.065) 4.779 24.247 ( 0.046 4.933 -0.793) 4.996 24.373 ( 0.100 -7.370 -1.303) 7.485 25.672 ( 0.188 4.265 -0.406) 4.289 25.823 ( -0.051 -10.323 0.214) 10.326 ======================= Grid point 128 (66/140) ======================= q-point: ( 0.17 0.46 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( 0.035 3.561 0.941) 3.683 1.902 ( -0.862 -3.139 0.537) 3.299 3.038 ( 0.455 4.294 -0.889) 4.409 3.109 ( 2.210 -1.890 -2.988) 4.170 3.477 ( -3.567 3.641 -6.063) 7.922 3.511 ( -1.494 -0.054 -3.865) 4.144 3.733 ( -5.760 3.949 8.536) 11.029 3.787 ( -6.601 -1.212 8.161) 10.567 4.340 ( 2.810 11.286 1.715) 11.756 4.477 ( 1.577 -1.947 5.561) 6.100 4.631 ( 3.506 3.345 -0.510) 4.873 4.679 ( -2.008 -0.821 0.331) 2.194 4.842 ( 0.562 8.063 2.018) 8.331 4.948 ( -1.905 -3.162 10.618) 11.241 5.058 ( 5.027 3.422 9.114) 10.957 5.155 ( -4.271 -3.909 2.104) 6.160 5.688 ( -5.058 6.183 -4.618) 9.227 5.785 ( -2.815 -1.251 -3.856) 4.935 5.849 ( -1.719 2.128 -2.010) 3.394 5.974 ( -1.976 -6.436 -2.189) 7.079 6.265 ( -8.077 2.418 -2.693) 8.850 6.306 ( -7.894 -1.455 -4.833) 9.370 6.596 ( 0.749 2.451 -0.595) 2.631 6.619 ( -2.326 0.253 2.598) 3.497 6.710 ( 7.726 0.391 -6.534) 10.126 6.737 ( 6.926 -2.126 -5.377) 9.022 7.206 ( -0.924 3.721 0.180) 3.839 7.271 ( -1.283 -2.703 1.408) 3.307 7.711 ( 7.186 6.185 4.998) 10.718 7.788 ( 6.186 -1.304 5.193) 8.182 7.996 ( -0.979 4.711 -5.970) 7.668 8.072 ( 0.573 -2.847 -6.552) 7.167 8.945 ( 1.349 4.543 -0.454) 4.760 8.979 ( 2.344 1.087 2.160) 3.367 9.226 ( -1.866 14.274 8.264) 16.599 9.513 ( -1.727 -12.380 7.432) 14.542 9.934 ( 1.884 6.275 -3.746) 7.547 9.999 ( 2.297 1.095 -7.208) 7.644 10.230 ( -1.532 11.163 3.751) 11.875 10.304 ( 0.823 6.074 -2.477) 6.611 10.709 ( 0.210 4.180 -9.377) 10.269 10.798 ( -1.168 -4.729 -2.928) 5.683 10.899 ( 1.602 4.775 2.021) 5.427 11.003 ( -0.759 -1.590 4.673) 4.994 11.356 ( -0.550 1.937 4.180) 4.640 11.438 ( -0.928 -3.036 2.474) 4.025 11.668 ( 0.204 0.410 0.010) 0.458 11.806 ( -0.314 -9.439 2.135) 9.682 12.472 ( 1.161 1.030 -2.314) 2.786 12.566 ( 0.906 -9.118 -2.699) 9.552 13.115 ( 1.959 8.433 -7.480) 11.441 13.152 ( 1.469 4.553 -4.734) 6.731 13.646 ( -1.330 14.155 3.936) 14.752 13.698 ( -1.578 8.505 6.385) 10.751 14.229 ( -3.707 9.351 -0.460) 10.069 14.258 ( -3.422 7.834 0.285) 8.554 14.780 ( 2.978 5.350 -2.344) 6.556 14.842 ( 2.698 -0.699 -1.797) 3.316 18.393 ( 0.341 8.597 0.002) 8.604 18.482 ( 0.619 6.467 -0.202) 6.500 18.504 ( 0.724 -2.260 -1.340) 2.725 18.583 ( 0.020 -3.682 -0.306) 3.695 19.807 ( 2.286 1.730 0.244) 2.877 19.858 ( -1.921 -3.149 -0.191) 3.694 22.030 ( -0.216 6.160 5.018) 7.948 22.169 ( -3.511 -7.079 6.408) 10.174 22.512 ( 1.635 7.262 -4.191) 8.542 22.652 ( -0.024 -5.615 0.009) 5.615 24.266 ( 2.164 3.345 -0.774) 4.059 24.376 ( 0.687 -7.139 -1.335) 7.295 25.669 ( -0.345 4.701 -0.415) 4.732 25.828 ( 0.450 -10.752 0.186) 10.763 ======================= Grid point 129 (67/140) ======================= q-point: ( 0.33 0.46 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( -0.779 2.810 0.031) 2.916 1.883 ( -0.965 -2.846 0.164) 3.009 3.041 ( 0.419 5.752 -1.410) 5.937 3.136 ( 1.128 -3.133 -1.826) 3.797 3.353 ( -5.320 7.206 -3.116) 9.483 3.438 ( -4.556 -2.116 -2.938) 5.819 3.648 ( -5.000 4.602 10.184) 12.244 3.711 ( -4.536 -1.576 10.591) 11.629 4.361 ( -1.270 12.604 1.687) 12.780 4.492 ( -0.743 0.191 3.240) 3.330 4.620 ( -2.406 6.345 0.737) 6.826 4.752 ( 3.172 -5.163 1.404) 6.220 4.924 ( 4.038 1.887 -1.540) 4.716 4.981 ( 4.781 -2.468 -0.433) 5.398 5.191 ( 6.522 3.780 6.161) 9.736 5.253 ( 10.409 -1.108 6.568) 12.358 5.524 ( -7.184 7.683 -5.685) 11.956 5.633 ( -7.771 -2.769 -4.838) 9.564 5.779 ( -4.195 2.458 -3.099) 5.765 5.886 ( -5.759 -7.474 -2.157) 9.678 6.068 ( -10.141 1.829 2.591) 10.625 6.120 ( -9.378 -2.996 0.592) 9.863 6.603 ( -0.061 2.115 -0.399) 2.153 6.622 ( 2.578 0.196 -2.057) 3.303 6.837 ( 5.643 0.251 -4.751) 7.381 6.856 ( 5.771 -1.682 -3.670) 7.043 7.205 ( 1.345 3.857 -1.821) 4.473 7.277 ( 1.671 -3.251 0.025) 3.655 7.835 ( 1.286 9.458 2.100) 9.774 7.939 ( 5.598 1.293 6.863) 8.951 7.963 ( -0.363 1.041 0.694) 1.303 8.036 ( -0.352 -4.755 -6.847) 8.344 8.966 ( 0.960 6.053 -1.570) 6.326 9.026 ( 1.494 -0.335 0.753) 1.706 9.228 ( -1.447 14.078 8.638) 16.580 9.515 ( -1.167 -12.242 7.377) 14.340 9.947 ( 1.103 6.783 -4.815) 8.391 10.004 ( 1.131 1.243 -7.201) 7.394 10.232 ( -0.068 12.664 5.254) 13.711 10.317 ( 1.366 6.891 -2.354) 7.409 10.667 ( 0.068 3.208 -10.561) 11.037 10.755 ( -1.613 -6.049 -2.353) 6.688 10.943 ( 1.587 4.866 1.920) 5.466 11.020 ( 0.322 0.107 5.720) 5.730 11.374 ( 0.464 1.535 3.809) 4.133 11.449 ( 0.901 -2.996 2.802) 4.200 11.661 ( -0.721 -0.010 -0.444) 0.847 11.794 ( -1.860 -9.008 2.737) 9.596 12.493 ( 1.942 1.245 -3.056) 3.829 12.578 ( 1.322 -8.278 -2.959) 8.890 13.114 ( 1.056 8.291 -7.737) 11.390 13.152 ( 0.471 4.153 -4.854) 6.405 13.641 ( -0.770 14.549 3.866) 15.073 13.699 ( -0.875 8.144 6.141) 10.237 14.154 ( -3.334 9.044 0.032) 9.639 14.193 ( -2.923 6.361 0.655) 7.031 14.828 ( 2.636 5.334 -2.946) 6.640 14.878 ( 1.463 0.682 -2.063) 2.619 18.397 ( 0.233 8.192 -0.857) 8.240 18.497 ( 0.511 7.238 0.816) 7.302 18.510 ( 0.510 -2.781 -1.488) 3.195 18.586 ( 0.340 -2.079 -0.174) 2.114 19.814 ( -0.720 1.734 -3.207) 3.716 19.873 ( 2.138 -3.811 4.371) 6.181 22.047 ( -0.134 4.489 4.947) 6.681 22.120 ( -3.925 -1.941 6.128) 7.532 22.528 ( 1.721 5.481 -4.411) 7.243 22.643 ( -0.685 -5.100 -0.343) 5.157 24.312 ( 2.386 0.348 -0.712) 2.514 24.384 ( 0.632 -6.498 -1.160) 6.631 25.659 ( -0.343 5.658 -0.534) 5.694 25.838 ( 0.383 -11.631 0.135) 11.638 ======================= Grid point 130 (68/140) ======================= q-point: (-0.50 0.46 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( -0.592 3.099 -0.787) 3.252 1.873 ( -0.072 -3.222 0.012) 3.223 3.046 ( 0.317 5.094 -0.896) 5.182 3.116 ( -1.750 -0.640 -0.687) 1.986 3.327 ( 2.792 3.684 0.147) 4.625 3.347 ( -2.096 1.645 -1.025) 2.855 3.638 ( -0.576 3.859 8.750) 9.580 3.696 ( -1.266 -1.432 9.826) 10.010 4.329 ( -2.079 11.476 -2.074) 11.846 4.474 ( -1.890 -1.084 -1.439) 2.611 4.577 ( -1.586 6.807 0.293) 6.995 4.712 ( -4.470 -6.596 -3.273) 8.614 4.937 ( -3.417 5.163 2.763) 6.780 5.039 ( -2.747 -3.917 1.902) 5.149 5.366 ( 6.197 5.685 0.094) 8.410 5.435 ( 6.297 0.139 -1.767) 6.542 5.503 ( 6.727 4.130 0.781) 7.932 5.592 ( 6.196 -2.909 2.036) 7.142 5.697 ( -2.245 4.723 -0.844) 5.297 5.796 ( 0.174 -4.667 -0.475) 4.694 5.950 ( -2.643 -1.840 2.930) 4.354 5.980 ( -4.911 -4.360 3.352) 7.373 6.592 ( -1.038 4.072 -2.475) 4.877 6.657 ( 0.824 -1.866 -1.630) 2.611 6.859 ( -0.522 1.364 -6.053) 6.227 6.906 ( 1.298 -2.965 -4.501) 5.543 7.239 ( 2.450 4.521 -1.962) 5.504 7.320 ( 2.155 -3.414 0.190) 4.042 7.788 ( -3.733 8.714 -3.042) 9.956 7.893 ( -5.676 -0.732 -0.517) 5.746 8.057 ( 2.233 -0.394 8.121) 8.431 8.059 ( 1.867 -1.072 0.086) 2.154 8.968 ( -0.046 6.369 -1.445) 6.531 9.036 ( -0.548 -1.008 -0.645) 1.317 9.238 ( -1.186 14.287 8.503) 16.668 9.524 ( -1.021 -12.084 7.224) 14.115 9.942 ( 0.795 7.558 -5.658) 9.474 9.983 ( -0.280 2.327 -6.806) 7.198 10.262 ( 0.535 11.774 5.435) 12.979 10.330 ( 0.816 7.041 -2.254) 7.437 10.638 ( 1.524 2.870 -10.350) 10.848 10.730 ( 0.142 -5.913 -2.051) 6.260 10.966 ( -0.239 5.409 2.275) 5.873 11.053 ( 0.340 -0.411 5.737) 5.761 11.395 ( -0.253 2.558 4.609) 5.277 11.485 ( 1.106 -3.223 3.643) 4.988 11.643 ( -0.582 -0.909 -1.336) 1.718 11.764 ( -1.994 -8.680 2.463) 9.241 12.514 ( 1.278 1.031 -3.019) 3.436 12.590 ( 1.005 -7.461 -2.864) 8.054 13.097 ( 0.798 8.060 -8.460) 11.712 13.134 ( -0.012 3.977 -5.269) 6.602 13.648 ( -0.244 14.776 4.118) 15.342 13.711 ( -0.643 7.897 6.031) 9.957 14.118 ( -0.135 9.224 0.158) 9.226 14.164 ( -0.117 5.691 0.896) 5.763 14.851 ( 0.899 4.306 -3.284) 5.490 14.878 ( -0.432 2.007 -2.470) 3.212 18.394 ( 0.006 8.757 -1.464) 8.878 18.501 ( -0.618 5.807 1.985) 6.168 18.516 ( 0.895 -1.349 -2.640) 3.097 18.591 ( -0.013 -2.343 0.592) 2.416 19.790 ( -0.479 5.558 -2.832) 6.256 19.929 ( 1.293 -7.753 5.086) 9.362 22.063 ( -1.053 2.295 3.904) 4.649 22.078 ( -1.762 0.860 6.624) 6.909 22.540 ( 1.352 4.597 -4.897) 6.851 22.626 ( -0.789 -3.840 -0.347) 3.935 24.336 ( 0.079 -0.846 -0.815) 1.177 24.391 ( 0.510 -6.247 -0.834) 6.323 25.653 ( 0.044 6.163 -0.637) 6.196 25.842 ( -0.029 -12.074 0.105) 12.074 ======================= Grid point 131 (69/140) ======================= q-point: (-0.33 0.46 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( 0.021 3.904 -0.709) 3.968 1.879 ( 0.640 -3.699 0.020) 3.754 3.035 ( -0.534 3.997 -1.220) 4.213 3.096 ( -0.483 -1.504 -1.730) 2.343 3.353 ( 4.065 7.522 -1.560) 8.691 3.441 ( 6.853 -1.123 -0.359) 6.954 3.679 ( 0.993 3.851 7.913) 8.856 3.730 ( 0.415 -0.585 8.607) 8.637 4.254 ( -3.107 9.504 -5.710) 11.515 4.388 ( -3.744 -2.460 -5.934) 7.435 4.610 ( 2.221 4.275 2.766) 5.555 4.660 ( 2.201 -1.978 -0.557) 3.011 4.858 ( -4.751 4.599 5.027) 8.306 4.952 ( -4.886 -3.372 5.621) 8.175 5.363 ( -7.227 6.781 9.339) 13.617 5.462 ( -6.792 -3.105 10.166) 12.614 5.627 ( 5.850 4.698 -1.154) 7.592 5.716 ( 6.663 -4.054 -1.861) 8.018 5.838 ( 16.348 6.600 -7.164) 19.030 5.911 ( 0.257 -2.846 -1.097) 3.061 5.956 ( 4.420 -0.965 -1.410) 4.739 6.011 ( 11.101 -3.828 0.202) 11.744 6.534 ( -2.928 3.248 -4.771) 6.472 6.598 ( -5.030 -2.473 -4.672) 7.297 6.823 ( -0.224 2.884 -4.353) 5.227 6.894 ( -0.611 -3.703 -3.246) 4.962 7.269 ( 0.690 4.998 1.004) 5.144 7.354 ( 0.572 -3.239 2.944) 4.414 7.694 ( -4.463 6.774 -3.340) 8.773 7.777 ( -5.455 -1.062 -0.006) 5.557 8.066 ( -0.754 1.200 -0.680) 1.572 8.092 ( -0.885 -1.008 3.487) 3.736 8.954 ( -1.012 5.406 -0.259) 5.506 9.005 ( -2.143 -0.279 -0.754) 2.289 9.247 ( -1.446 14.465 8.052) 16.618 9.531 ( -1.348 -12.020 7.311) 14.134 9.937 ( 0.472 6.447 -4.936) 8.133 9.949 ( 0.462 4.455 -7.075) 8.374 10.282 ( -0.634 9.704 4.068) 10.541 10.329 ( -0.008 5.908 -2.016) 6.243 10.647 ( 3.334 3.422 -8.738) 9.959 10.744 ( 1.963 -4.657 -1.988) 5.430 10.950 ( -2.078 6.063 1.835) 6.666 11.069 ( -1.129 -2.318 4.854) 5.497 11.398 ( -1.530 4.020 5.887) 7.291 11.510 ( -0.456 -3.560 4.541) 5.788 11.633 ( 0.283 -1.440 -1.790) 2.314 11.746 ( -0.444 -8.673 1.366) 8.791 12.513 ( -0.347 0.662 -2.238) 2.359 12.592 ( 0.310 -7.508 -2.547) 7.934 13.084 ( 1.569 7.902 -8.934) 12.030 13.118 ( 0.774 4.310 -5.527) 7.051 13.658 ( -0.581 14.475 4.371) 15.131 13.717 ( -1.312 8.040 6.095) 10.174 14.152 ( 3.374 9.731 -0.063) 10.299 14.197 ( 2.983 6.180 0.826) 6.911 14.833 ( -1.613 3.651 -2.513) 4.716 14.849 ( -1.122 1.977 -3.247) 3.963 18.388 ( -0.065 9.838 -1.174) 9.908 18.494 ( -0.757 4.465 1.588) 4.799 18.515 ( 0.152 -0.275 -3.220) 3.235 18.591 ( -0.333 -4.264 1.290) 4.467 19.772 ( -0.251 8.064 -2.364) 8.407 19.957 ( -0.573 -9.747 4.623) 10.803 22.035 ( -2.250 4.146 4.229) 6.335 22.113 ( 1.358 -3.584 6.214) 7.301 22.537 ( 0.332 5.046 -5.145) 7.214 22.616 ( 0.015 -2.744 -0.166) 2.749 24.312 ( -1.898 1.000 -0.724) 2.265 24.393 ( -0.105 -6.865 -0.896) 6.924 25.656 ( 0.484 5.822 -0.629) 5.876 25.837 ( -0.435 -11.742 0.133) 11.750 ======================= Grid point 132 (70/140) ======================= q-point: (-0.17 0.46 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( 0.539 4.503 0.058) 4.535 1.895 ( 0.774 -4.028 0.271) 4.111 3.028 ( 0.311 3.185 -1.274) 3.444 3.079 ( 0.087 -1.504 -2.957) 3.319 3.445 ( 5.373 7.269 -3.887) 9.839 3.548 ( 3.573 -2.945 -2.872) 5.448 3.722 ( 0.585 4.670 5.623) 7.332 3.783 ( 2.118 -1.218 6.550) 6.991 4.217 ( 1.731 8.380 -3.847) 9.382 4.339 ( 0.842 -3.858 -2.853) 4.872 4.649 ( 0.400 5.446 3.099) 6.279 4.696 ( -1.284 -0.949 1.655) 2.299 4.833 ( 0.307 7.305 7.724) 10.636 4.976 ( 2.596 -3.920 10.788) 11.768 5.207 ( -12.693 9.148 12.086) 19.770 5.366 ( -5.938 -5.405 11.408) 13.951 5.695 ( 0.593 4.088 -3.125) 5.180 5.774 ( -2.121 -4.242 -2.808) 5.512 5.889 ( 1.244 1.300 -2.627) 3.184 5.949 ( 2.721 -4.111 -5.192) 7.159 6.186 ( 16.831 6.436 -6.759) 19.246 6.277 ( 13.542 -1.956 -5.178) 14.629 6.457 ( -1.939 3.815 -4.801) 6.431 6.529 ( 0.669 -3.173 -3.542) 4.802 6.792 ( -1.833 2.247 -4.215) 5.116 6.848 ( -3.371 -2.922 -2.415) 5.073 7.267 ( -1.981 5.120 3.580) 6.554 7.354 ( -2.639 -3.187 5.506) 6.887 7.598 ( -3.639 7.068 -0.679) 7.978 7.700 ( -2.280 -2.536 -0.114) 3.412 8.049 ( 0.568 1.617 -3.770) 4.142 8.070 ( -1.041 -0.092 -2.512) 2.721 8.932 ( -1.069 4.062 1.091) 4.340 8.957 ( -2.198 1.054 -0.033) 2.438 9.244 ( -2.069 14.534 7.847) 16.646 9.530 ( -1.876 -12.228 7.497) 14.466 9.916 ( 0.124 5.894 -4.103) 7.183 9.956 ( 2.410 3.978 -7.025) 8.425 10.274 ( -1.480 8.524 2.858) 9.112 10.317 ( -0.222 5.135 -2.155) 5.574 10.687 ( 3.718 4.365 -7.181) 9.189 10.780 ( 2.456 -2.808 -2.740) 4.629 10.911 ( -2.346 5.554 1.994) 6.350 11.048 ( -2.578 -4.217 3.606) 6.118 11.386 ( -2.200 4.386 6.032) 7.776 11.500 ( -2.329 -3.717 4.099) 6.004 11.639 ( 0.863 -0.744 -1.109) 1.590 11.759 ( 1.186 -9.021 0.759) 9.130 12.490 ( -0.970 0.512 -1.566) 1.912 12.581 ( -0.300 -8.545 -2.245) 8.840 13.087 ( 2.335 8.127 -8.590) 12.053 13.121 ( 1.744 4.698 -5.391) 7.361 13.660 ( -0.984 14.105 4.312) 14.782 13.713 ( -1.630 8.406 6.273) 10.615 14.229 ( 3.921 10.346 -0.409) 11.072 14.268 ( 3.265 7.485 0.556) 8.185 14.781 ( -2.237 3.977 -1.964) 4.968 14.814 ( -0.874 0.128 -3.020) 3.147 18.384 ( 0.034 10.388 -0.407) 10.396 18.486 ( -0.660 3.755 1.384) 4.056 18.500 ( 0.000 -0.085 -3.585) 3.586 18.589 ( -0.299 -5.707 0.941) 5.791 19.763 ( 0.246 8.308 -1.722) 8.488 19.944 ( -2.141 -9.348 2.864) 10.008 22.017 ( -1.372 5.897 4.371) 7.468 22.167 ( 1.086 -9.347 6.613) 11.501 22.516 ( -0.104 7.281 -4.751) 8.695 22.625 ( 0.889 -3.134 -0.188) 3.263 24.269 ( -1.845 3.696 -0.697) 4.190 24.382 ( -0.430 -7.269 -1.132) 7.369 25.665 ( 0.624 4.893 -0.517) 4.959 25.828 ( -0.519 -10.882 0.191) 10.896 ======================= Grid point 169 (71/140) ======================= q-point: ( 0.00 0.00 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( 27.144 0.000 34.200) 43.663 1.353 ( -5.441 0.000 32.716) 33.166 1.777 ( -18.029 0.000 22.946) 29.181 2.161 ( 4.051 0.000 -2.646) 4.839 2.480 ( 4.251 0.000 -20.303) 20.743 2.828 ( -1.116 0.000 -0.186) 1.131 3.356 ( -3.383 0.000 5.992) 6.881 3.364 ( 2.800 0.000 0.339) 2.821 3.385 ( -11.263 0.000 -2.306) 11.496 3.423 ( 1.735 0.000 0.916) 1.962 3.455 ( -5.723 0.000 0.531) 5.748 3.831 ( 3.427 0.000 5.611) 6.575 4.189 ( -0.382 0.000 -3.069) 3.092 4.384 ( 1.915 0.000 -2.188) 2.908 4.556 ( -3.440 0.000 2.302) 4.139 4.940 ( 1.971 0.000 -2.208) 2.960 4.954 ( 8.425 0.000 -14.846) 17.070 5.203 ( 0.330 0.000 18.802) 18.805 5.582 ( 1.849 0.000 -1.100) 2.151 5.693 ( -0.394 0.000 -0.388) 0.553 5.741 ( -6.023 0.000 -10.242) 11.882 6.021 ( -2.001 0.000 -13.162) 13.313 6.232 ( -7.719 0.000 -3.216) 8.362 6.351 ( -5.182 0.000 5.531) 7.580 6.401 ( 9.830 0.000 5.126) 11.086 6.560 ( 2.205 0.000 7.965) 8.265 6.822 ( -3.020 0.000 -7.381) 7.976 7.010 ( 7.237 0.000 3.140) 7.889 7.048 ( -1.355 0.000 -6.851) 6.984 7.108 ( 3.507 0.000 -5.784) 6.764 7.468 ( 2.194 0.000 -9.293) 9.548 7.703 ( -1.544 0.000 5.594) 5.803 7.954 ( -0.814 0.000 1.175) 1.429 8.089 ( 8.503 0.000 -5.508) 10.131 8.100 ( 0.788 0.000 -0.541) 0.956 8.277 ( -1.849 0.000 2.007) 2.729 8.344 ( -0.809 0.000 1.710) 1.891 8.615 ( 0.085 0.000 -0.040) 0.094 8.642 ( 2.114 0.000 -5.362) 5.764 8.739 ( 2.946 0.000 -5.719) 6.433 9.077 ( -1.502 0.000 3.617) 3.916 9.432 ( -2.218 0.000 0.563) 2.288 9.634 ( -0.134 0.000 -4.204) 4.206 10.420 ( -3.524 0.000 8.350) 9.063 10.554 ( -0.728 0.000 7.903) 7.936 10.876 ( 5.238 0.000 -9.227) 10.610 11.297 ( -4.250 0.000 13.454) 14.110 11.622 ( -0.076 0.000 1.669) 1.671 12.121 ( -3.016 0.000 13.130) 13.472 12.849 ( 0.597 0.000 -6.367) 6.395 12.927 ( 0.311 0.000 -1.509) 1.540 13.123 ( -1.096 0.000 -1.309) 1.707 13.724 ( 0.792 0.000 0.514) 0.944 14.060 ( -2.423 0.000 1.206) 2.706 14.211 ( -0.066 0.000 -7.164) 7.164 14.214 ( -0.643 0.000 3.148) 3.213 15.350 ( 0.183 0.000 -0.792) 0.813 15.654 ( -7.359 0.000 6.958) 10.127 16.166 ( -11.500 0.000 2.484) 11.766 16.461 ( 9.055 0.000 2.532) 9.402 16.849 ( -5.739 0.000 -7.118) 9.144 16.960 ( 0.379 0.000 -1.958) 1.995 18.307 ( -0.431 0.000 2.275) 2.315 18.908 ( 0.195 0.000 -1.069) 1.086 20.284 ( -8.370 0.000 4.108) 9.324 20.805 ( -0.726 0.000 -7.283) 7.319 22.499 ( -3.793 0.000 22.550) 22.867 23.327 ( -33.454 0.000 -1.600) 33.492 24.354 ( 16.052 0.000 -16.683) 23.152 24.609 ( 21.684 0.000 -3.424) 21.952 26.227 ( 1.300 0.000 2.477) 2.798 28.208 ( -3.670 0.000 1.799) 4.088 ======================= Grid point 170 (72/140) ======================= q-point: ( 0.17 0.00 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( -15.434 0.000 19.661) 24.995 1.483 ( 4.683 0.000 29.132) 29.506 1.968 ( 30.047 0.000 10.876) 31.954 2.187 ( 2.244 0.000 -10.305) 10.547 2.517 ( 7.459 0.000 -19.362) 20.749 2.722 ( -7.564 0.000 1.165) 7.653 3.198 ( -9.529 0.000 16.522) 19.073 3.320 ( -7.420 0.000 3.037) 8.018 3.402 ( 3.409 0.000 -5.866) 6.784 3.403 ( 0.215 0.000 -2.030) 2.041 3.472 ( 3.086 0.000 0.398) 3.112 3.871 ( -0.333 0.000 13.144) 13.149 4.182 ( 0.904 0.000 -1.745) 1.966 4.380 ( -1.484 0.000 -3.033) 3.376 4.506 ( -2.043 0.000 3.251) 3.840 4.988 ( 3.290 0.000 -1.871) 3.784 5.058 ( 6.888 0.000 -10.372) 12.451 5.314 ( 4.456 0.000 6.108) 7.561 5.588 ( -0.656 0.000 -2.517) 2.601 5.678 ( -1.010 0.000 0.240) 1.038 5.679 ( 0.837 0.000 1.235) 1.492 5.877 ( -10.521 0.000 -3.630) 11.130 6.075 ( -4.659 0.000 1.952) 5.051 6.288 ( -3.670 0.000 7.248) 8.124 6.526 ( 4.257 0.000 -12.448) 13.156 6.616 ( 0.232 0.000 7.100) 7.103 6.726 ( -2.768 0.000 -8.244) 8.696 6.999 ( -0.493 0.000 -7.089) 7.106 7.077 ( -0.805 0.000 2.341) 2.476 7.154 ( 3.454 0.000 -6.175) 7.075 7.450 ( -2.028 0.000 -5.669) 6.021 7.641 ( -4.756 0.000 -1.087) 4.879 7.951 ( 0.003 0.000 1.666) 1.666 8.112 ( 0.521 0.000 -0.852) 0.999 8.167 ( 2.249 0.000 -9.145) 9.418 8.267 ( -0.079 0.000 0.619) 0.624 8.342 ( -0.028 0.000 1.826) 1.826 8.605 ( -0.995 0.000 0.004) 0.995 8.655 ( 1.145 0.000 -2.224) 2.501 8.775 ( 2.648 0.000 -8.253) 8.667 9.064 ( -1.296 0.000 4.029) 4.232 9.411 ( -0.216 0.000 2.566) 2.575 9.628 ( 1.097 0.000 -3.978) 4.127 10.411 ( -1.050 0.000 9.894) 9.950 10.592 ( 1.301 0.000 6.642) 6.768 10.937 ( 4.069 0.000 -10.270) 11.047 11.236 ( -8.187 0.000 18.203) 19.959 11.613 ( -1.818 0.000 2.503) 3.094 12.063 ( -9.101 0.000 14.042) 16.733 12.806 ( -2.500 0.000 -4.768) 5.384 12.926 ( 0.220 0.000 -1.510) 1.526 13.027 ( -7.230 0.000 4.285) 8.405 13.737 ( 0.212 0.000 1.640) 1.654 14.008 ( -3.752 0.000 1.942) 4.225 14.171 ( -2.109 0.000 -1.618) 2.658 14.215 ( -0.557 0.000 3.138) 3.187 14.998 ( -45.288 0.000 35.615) 57.614 15.350 ( 0.162 0.000 -0.790) 0.807 16.105 ( -0.517 0.000 -1.273) 1.374 16.576 ( 2.613 0.000 -10.987) 11.294 16.961 ( 0.470 0.000 -1.961) 2.017 16.992 ( 15.346 0.000 -1.321) 15.402 18.311 ( -0.125 0.000 2.274) 2.278 18.906 ( 0.002 0.000 -1.069) 1.069 20.170 ( -5.061 0.000 9.745) 10.981 20.904 ( 11.610 0.000 -0.969) 11.650 22.244 ( -39.379 0.000 22.530) 45.368 22.683 ( -16.547 0.000 24.101) 29.235 24.377 ( 4.778 0.000 -22.277) 22.784 25.272 ( 30.644 0.000 -20.873) 37.077 26.279 ( 3.817 0.000 0.612) 3.866 27.982 ( -17.764 0.000 9.079) 19.950 ======================= Grid point 171 (73/140) ======================= q-point: ( 0.33 0.00 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( -7.112 0.000 8.769) 11.290 1.706 ( 5.373 0.000 23.804) 24.403 2.183 ( 3.128 0.000 -11.723) 12.133 2.485 ( 15.689 0.000 -0.791) 15.709 2.581 ( 5.160 0.000 -14.981) 15.844 2.586 ( -8.023 0.000 6.383) 10.253 3.035 ( -8.013 0.000 1.170) 8.098 3.206 ( -4.321 0.000 3.072) 5.302 3.376 ( -1.834 0.000 -3.222) 3.707 3.412 ( -1.036 0.000 -4.017) 4.148 3.535 ( 3.394 0.000 -1.517) 3.718 4.028 ( 6.017 0.000 17.901) 18.885 4.262 ( 8.439 0.000 12.957) 15.463 4.323 ( -2.734 0.000 -0.983) 2.905 4.504 ( 0.626 0.000 0.755) 0.981 5.036 ( 1.809 0.000 -0.601) 1.906 5.126 ( 3.657 0.000 -3.009) 4.736 5.268 ( -17.498 0.000 10.932) 20.632 5.542 ( -2.554 0.000 -1.925) 3.199 5.663 ( -0.367 0.000 -0.141) 0.393 5.676 ( 7.484 0.000 -11.451) 13.680 5.794 ( -2.532 0.000 10.181) 10.491 6.096 ( 5.608 0.000 2.934) 6.329 6.271 ( -1.148 0.000 7.467) 7.555 6.474 ( -1.924 0.000 -18.742) 18.841 6.625 ( -1.930 0.000 5.663) 5.983 6.683 ( 1.584 0.000 -8.902) 9.042 6.976 ( 0.815 0.000 -5.866) 5.922 7.016 ( -4.854 0.000 -1.681) 5.137 7.187 ( 2.518 0.000 -6.837) 7.286 7.335 ( -7.266 0.000 -0.516) 7.284 7.549 ( -2.281 0.000 -6.770) 7.144 7.966 ( 0.599 0.000 2.098) 2.182 8.110 ( -0.453 0.000 -0.634) 0.779 8.112 ( -4.630 0.000 -7.678) 8.967 8.279 ( 3.150 0.000 -5.223) 6.100 8.358 ( 0.918 0.000 1.318) 1.606 8.581 ( -1.367 0.000 0.208) 1.383 8.641 ( -2.237 0.000 -4.750) 5.251 8.766 ( -0.525 0.000 0.023) 0.526 9.082 ( 1.716 0.000 2.021) 2.651 9.422 ( -0.763 0.000 3.974) 4.047 9.643 ( 2.243 0.000 -4.621) 5.137 10.453 ( 0.175 0.000 12.346) 12.347 10.645 ( 1.073 0.000 5.684) 5.785 10.894 ( -6.226 0.000 1.518) 6.408 11.181 ( -3.532 0.000 15.712) 16.104 11.576 ( -3.197 0.000 5.156) 6.067 11.935 ( -7.086 0.000 13.709) 15.432 12.760 ( -0.573 0.000 1.416) 1.528 12.924 ( 0.225 0.000 -1.518) 1.535 12.935 ( -4.432 0.000 5.229) 6.855 13.747 ( -0.586 0.000 4.531) 4.568 13.898 ( -8.228 0.000 5.846) 10.094 14.145 ( -0.937 0.000 6.533) 6.600 14.217 ( -0.569 0.000 3.132) 3.183 14.550 ( -14.428 0.000 24.156) 28.137 15.350 ( 0.140 0.000 -0.770) 0.782 16.067 ( -2.711 0.000 0.663) 2.791 16.566 ( 3.468 0.000 -20.009) 20.307 16.962 ( 0.506 0.000 -1.998) 2.061 17.252 ( 11.826 0.000 -4.246) 12.565 18.319 ( -0.174 0.000 2.315) 2.321 18.901 ( 0.033 0.000 -1.093) 1.093 20.194 ( 1.888 0.000 19.019) 19.112 21.174 ( 13.805 0.000 -0.734) 13.824 21.560 ( -34.689 0.000 24.148) 42.266 22.624 ( -5.099 0.000 26.383) 26.872 24.367 ( 3.654 0.000 -25.342) 25.604 25.520 ( 5.170 0.000 -19.561) 20.233 26.392 ( 7.091 0.000 -2.222) 7.431 27.710 ( -12.962 0.000 12.185) 17.791 ======================= Grid point 172 (74/140) ======================= q-point: (-0.50 0.00 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( 10.871 0.000 1.285) 10.946 1.811 ( -5.574 0.000 21.688) 22.393 2.034 ( -22.820 0.000 5.059) 23.374 2.429 ( -9.788 0.000 2.583) 10.123 2.576 ( 4.751 0.000 -6.416) 7.984 2.582 ( 1.051 0.000 -10.315) 10.368 3.143 ( 16.411 0.000 -5.995) 17.472 3.203 ( 2.542 0.000 0.632) 2.620 3.321 ( -1.653 0.000 -3.304) 3.694 3.349 ( -3.223 0.000 -2.095) 3.844 3.583 ( 2.275 0.000 -3.069) 3.820 4.097 ( -2.012 0.000 4.536) 4.963 4.283 ( -0.974 0.000 0.261) 1.009 4.530 ( 2.091 0.000 -1.154) 2.388 4.556 ( 4.616 0.000 32.469) 32.795 4.888 ( -21.792 0.000 13.243) 25.500 5.042 ( -1.346 0.000 0.632) 1.487 5.255 ( 10.445 0.000 2.180) 10.670 5.496 ( -1.275 0.000 -0.557) 1.391 5.664 ( 0.680 0.000 -0.763) 1.022 5.678 ( -9.189 0.000 6.192) 11.080 5.899 ( 17.281 0.000 -22.282) 28.198 6.239 ( 3.702 0.000 9.679) 10.363 6.302 ( 1.265 0.000 6.842) 6.958 6.372 ( -0.011 0.000 -16.061) 16.061 6.590 ( -3.614 0.000 4.461) 5.741 6.655 ( -2.570 0.000 -6.089) 6.609 6.917 ( -2.052 0.000 -9.037) 9.267 6.982 ( 1.882 0.000 -4.261) 4.658 7.193 ( 1.016 0.000 -7.329) 7.399 7.256 ( 0.431 0.000 5.483) 5.500 7.513 ( 1.699 0.000 -8.086) 8.262 7.931 ( -9.979 0.000 -4.036) 10.764 7.986 ( 0.367 0.000 2.077) 2.109 8.093 ( -0.890 0.000 -0.191) 0.910 8.364 ( 8.364 0.000 -10.216) 13.203 8.378 ( 0.425 0.000 0.668) 0.792 8.554 ( -4.521 0.000 -0.537) 4.553 8.563 ( -0.264 0.000 0.442) 0.515 8.777 ( 0.743 0.000 1.229) 1.436 9.107 ( -0.286 0.000 0.287) 0.406 9.420 ( -0.672 0.000 5.204) 5.247 9.673 ( 2.621 0.000 -5.514) 6.105 10.486 ( -2.871 0.000 13.977) 14.269 10.667 ( -1.613 0.000 8.120) 8.279 10.817 ( -1.463 0.000 3.272) 3.584 11.185 ( -2.546 0.000 12.896) 13.145 11.554 ( -0.647 0.000 4.759) 4.802 11.938 ( 1.764 0.000 10.319) 10.468 12.784 ( 1.671 0.000 3.095) 3.517 12.883 ( -2.729 0.000 3.911) 4.769 12.923 ( 0.320 0.000 -1.524) 1.557 13.750 ( -1.599 0.000 5.863) 6.077 13.829 ( -0.064 0.000 7.975) 7.975 14.174 ( 0.758 0.000 6.294) 6.339 14.218 ( -0.665 0.000 3.136) 3.206 14.507 ( -0.310 0.000 16.581) 16.583 15.350 ( 0.139 0.000 -0.751) 0.764 16.029 ( -1.207 0.000 2.022) 2.354 16.558 ( 4.717 0.000 -23.222) 23.696 16.964 ( 0.451 0.000 -2.031) 2.080 17.410 ( 7.010 0.000 -10.387) 12.531 18.321 ( -0.534 0.000 2.356) 2.416 18.900 ( 0.262 0.000 -1.118) 1.148 20.416 ( 11.214 0.000 29.164) 31.246 21.017 ( -21.300 0.000 2.705) 21.471 21.473 ( 7.787 0.000 14.786) 16.711 22.659 ( -2.764 0.000 28.337) 28.471 24.309 ( 1.401 0.000 -26.545) 26.582 25.440 ( -3.152 0.000 -16.606) 16.903 26.462 ( -0.255 0.000 -3.259) 3.269 27.610 ( -2.009 0.000 12.474) 12.635 ======================= Grid point 173 (75/140) ======================= q-point: (-0.33 0.00 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( -36.924 0.000 3.043) 37.049 1.617 ( 19.561 0.000 1.568) 19.623 1.670 ( -16.830 0.000 24.683) 29.875 2.283 ( -9.362 0.000 12.561) 15.666 2.558 ( 1.116 0.000 -13.504) 13.550 2.662 ( 3.489 0.000 1.940) 3.992 3.252 ( 1.262 0.000 2.298) 2.622 3.307 ( 0.047 0.000 1.149) 1.150 3.324 ( 3.210 0.000 -2.329) 3.966 3.440 ( 14.290 0.000 -4.031) 14.848 3.591 ( -0.169 0.000 -3.466) 3.470 4.010 ( -8.494 0.000 4.110) 9.436 4.291 ( 1.656 0.000 0.133) 1.661 4.526 ( -17.886 0.000 5.362) 18.673 4.569 ( 2.251 0.000 -1.697) 2.819 4.690 ( 0.105 0.000 19.744) 19.744 4.996 ( -3.264 0.000 0.846) 3.372 5.340 ( -7.735 0.000 3.677) 8.564 5.495 ( 1.261 0.000 0.140) 1.269 5.680 ( 1.096 0.000 -0.914) 1.427 5.723 ( 14.306 0.000 9.170) 16.992 6.051 ( 3.908 0.000 -21.711) 22.060 6.276 ( -4.793 0.000 7.450) 8.858 6.371 ( 3.023 0.000 5.941) 6.666 6.425 ( 14.789 0.000 -10.981) 18.420 6.526 ( -4.768 0.000 4.876) 6.819 6.537 ( -5.617 0.000 -8.519) 10.204 6.884 ( 1.691 0.000 -6.578) 6.792 7.011 ( 2.599 0.000 -3.437) 4.309 7.167 ( -0.493 0.000 -7.705) 7.721 7.396 ( 9.339 0.000 4.852) 10.524 7.517 ( -0.240 0.000 -1.199) 1.223 7.800 ( 1.608 0.000 -6.818) 7.005 7.989 ( -0.828 0.000 1.426) 1.649 8.082 ( -0.088 0.000 0.235) 0.251 8.375 ( -0.895 0.000 0.646) 1.104 8.461 ( -5.545 0.000 1.881) 5.856 8.491 ( 7.868 0.000 -9.689) 12.481 8.576 ( 1.207 0.000 0.358) 1.259 8.781 ( -1.013 0.000 -0.280) 1.050 9.091 ( -0.740 0.000 1.206) 1.415 9.443 ( 0.603 0.000 4.431) 4.472 9.687 ( 1.036 0.000 -5.973) 6.063 10.471 ( -3.927 0.000 14.547) 15.068 10.645 ( -4.333 0.000 8.031) 9.125 10.820 ( 1.348 0.000 -6.452) 6.591 11.214 ( 0.205 0.000 15.147) 15.148 11.580 ( 0.878 0.000 4.001) 4.096 12.037 ( 3.206 0.000 7.626) 8.273 12.834 ( 2.757 0.000 -7.587) 8.072 12.900 ( 3.704 0.000 10.808) 11.425 12.924 ( 0.411 0.000 -1.522) 1.577 13.726 ( -2.553 0.000 5.335) 5.915 13.953 ( 7.770 0.000 3.934) 8.709 14.214 ( 1.499 0.000 1.179) 1.907 14.217 ( -0.750 0.000 3.146) 3.234 14.683 ( 11.693 0.000 25.825) 28.349 15.349 ( 0.159 0.000 -0.753) 0.769 16.050 ( 2.462 0.000 2.589) 3.573 16.556 ( 4.336 0.000 -22.912) 23.319 16.963 ( 0.361 0.000 -2.028) 2.060 17.416 ( -1.695 0.000 -15.690) 15.782 18.317 ( -0.841 0.000 2.357) 2.502 18.902 ( 0.455 0.000 -1.117) 1.206 20.654 ( -13.087 0.000 5.910) 14.360 20.838 ( 12.530 0.000 16.717) 20.891 21.723 ( 16.153 0.000 18.432) 24.508 22.753 ( 1.237 0.000 29.613) 29.639 24.223 ( 0.806 0.000 -24.760) 24.774 25.290 ( -7.551 0.000 -13.353) 15.340 26.355 ( -8.169 0.000 -1.459) 8.298 27.740 ( 9.873 0.000 12.684) 16.074 ======================= Grid point 174 (76/140) ======================= q-point: (-0.17 0.00 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( -17.272 0.000 27.180) 32.203 1.442 ( -15.969 0.000 30.127) 34.098 1.928 ( 5.941 0.000 4.787) 7.630 2.130 ( -10.647 0.000 18.794) 21.600 2.511 ( 1.120 0.000 -18.327) 18.361 2.757 ( 6.077 0.000 0.671) 6.114 3.299 ( 2.715 0.000 2.439) 3.650 3.335 ( 1.002 0.000 2.720) 2.899 3.381 ( 2.598 0.000 -0.119) 2.601 3.547 ( -3.175 0.000 -2.034) 3.771 3.655 ( 5.631 0.000 3.592) 6.679 3.776 ( -14.500 0.000 -1.753) 14.605 4.254 ( -7.689 0.000 -0.893) 7.740 4.339 ( 2.974 0.000 -0.798) 3.080 4.590 ( -0.119 0.000 -0.299) 0.321 4.825 ( 8.395 0.000 -1.323) 8.499 4.943 ( -1.661 0.000 -0.638) 1.780 5.204 ( -7.120 0.000 12.206) 14.130 5.537 ( 2.612 0.000 0.024) 2.612 5.694 ( 0.565 0.000 -0.781) 0.964 5.929 ( -5.048 0.000 -15.858) 16.643 6.067 ( 10.438 0.000 5.415) 11.759 6.165 ( -2.024 0.000 -1.736) 2.667 6.391 ( -5.553 0.000 -5.686) 7.948 6.428 ( -2.799 0.000 1.898) 3.382 6.480 ( 0.790 0.000 9.918) 9.949 6.751 ( 18.113 0.000 -6.692) 19.309 6.888 ( -0.347 0.000 -2.649) 2.671 7.052 ( 2.902 0.000 -3.418) 4.483 7.116 ( -1.162 0.000 -8.205) 8.286 7.464 ( 0.976 0.000 -5.491) 5.577 7.629 ( 6.233 0.000 8.432) 10.486 7.915 ( 10.674 0.000 -6.991) 12.759 7.971 ( -1.296 0.000 1.002) 1.638 8.088 ( 0.526 0.000 0.046) 0.528 8.346 ( -6.447 0.000 3.635) 7.401 8.357 ( -1.138 0.000 1.173) 1.634 8.590 ( 6.253 0.000 -9.859) 11.675 8.602 ( 1.112 0.000 0.097) 1.116 8.743 ( -1.800 0.000 -0.757) 1.953 9.090 ( -0.724 0.000 2.335) 2.445 9.459 ( -0.604 0.000 1.901) 1.995 9.665 ( -0.678 0.000 -5.412) 5.454 10.455 ( -3.550 0.000 11.762) 12.286 10.576 ( -4.744 0.000 6.935) 8.402 10.828 ( 3.124 0.000 -8.506) 9.062 11.285 ( -0.034 0.000 13.171) 13.171 11.608 ( 0.490 0.000 2.905) 2.946 12.101 ( -0.086 0.000 10.074) 10.074 12.847 ( 2.072 0.000 -7.251) 7.541 12.926 ( 0.407 0.000 -1.514) 1.568 13.057 ( 7.053 0.000 1.765) 7.271 13.711 ( -0.486 0.000 2.703) 2.747 14.066 ( 2.126 0.000 0.878) 2.300 14.215 ( -0.740 0.000 3.152) 3.238 14.231 ( 1.131 0.000 -6.442) 6.541 15.218 ( 29.265 0.000 25.017) 38.500 15.350 ( 0.181 0.000 -0.773) 0.794 16.144 ( 5.691 0.000 4.269) 7.114 16.517 ( -0.359 0.000 -20.069) 20.072 16.962 ( 0.325 0.000 -1.992) 2.018 17.186 ( -16.042 0.000 -13.234) 20.796 18.310 ( -0.787 0.000 2.316) 2.446 18.907 ( 0.419 0.000 -1.092) 1.170 20.440 ( -9.408 0.000 1.959) 9.609 20.929 ( -5.000 0.000 -4.952) 7.037 22.295 ( 20.841 0.000 20.827) 29.464 23.096 ( 30.502 0.000 17.813) 35.323 24.149 ( 0.753 0.000 -17.639) 17.655 24.930 ( -25.873 0.000 -7.077) 26.823 26.227 ( -3.443 0.000 2.263) 4.120 28.051 ( 14.943 0.000 7.396) 16.673 ======================= Grid point 175 (77/140) ======================= q-point: ( 0.00 0.08 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( 9.314 -2.497 28.855) 30.424 1.408 ( -2.716 5.859 23.538) 24.408 2.083 ( 6.192 -3.674 -4.567) 8.526 2.426 ( -7.655 25.816 11.381) 29.233 2.613 ( 2.363 10.866 1.816) 11.267 2.757 ( 2.419 8.198 -12.841) 15.426 3.284 ( -4.778 -3.025 12.271) 13.511 3.381 ( -2.305 5.844 6.621) 9.127 3.452 ( 5.123 4.301 -1.395) 6.833 3.512 ( -4.298 6.045 -4.974) 8.931 3.626 ( -8.252 12.258 3.730) 15.241 3.822 ( 0.406 1.135 1.979) 2.317 4.205 ( 0.624 4.074 -3.868) 5.652 4.437 ( 0.005 0.129 1.909) 1.913 4.593 ( -4.551 7.523 1.179) 8.871 5.037 ( 14.297 4.453 -11.177) 18.685 5.089 ( 0.627 12.626 -2.479) 12.883 5.292 ( -0.251 10.008 15.567) 18.508 5.719 ( -1.773 5.197 -1.932) 5.821 5.800 ( -3.136 11.610 -7.205) 14.019 5.922 ( -2.091 14.812 -3.548) 15.374 6.079 ( -3.603 6.735 -7.203) 10.499 6.166 ( -1.344 -1.610 0.539) 2.165 6.335 ( 9.568 -1.195 -1.063) 9.701 6.454 ( -6.846 3.975 1.027) 7.983 6.695 ( 2.024 5.740 5.250) 8.038 6.744 ( -2.505 -3.464 0.046) 4.275 6.999 ( 0.540 0.100 3.376) 3.420 7.058 ( 2.957 -0.554 -9.044) 9.531 7.181 ( 5.179 9.918 -6.404) 12.892 7.550 ( -3.679 5.114 -1.221) 6.417 7.731 ( -0.725 4.336 4.865) 6.557 7.975 ( 2.989 -3.792 0.986) 4.928 8.051 ( -0.646 -4.653 -4.561) 6.547 8.190 ( 3.978 10.135 -6.923) 12.903 8.369 ( 2.436 12.274 2.327) 12.728 8.444 ( -0.325 14.719 2.750) 14.977 8.606 ( -0.891 13.336 -1.506) 13.451 8.846 ( 6.033 13.111 -9.329) 17.185 8.940 ( 0.197 10.498 1.118) 10.559 9.190 ( -2.114 13.205 4.610) 14.146 9.453 ( -2.812 1.915 -1.014) 3.550 9.724 ( 0.037 7.811 -3.840) 8.704 10.402 ( -1.834 -2.923 13.561) 13.993 10.537 ( -1.094 -3.134 9.682) 10.235 10.707 ( 2.303 -11.901 -6.981) 13.988 11.224 ( -6.906 -3.981 19.343) 20.921 11.487 ( -2.032 -13.096 1.087) 13.298 11.671 ( -1.273 -14.834 3.296) 15.249 12.347 ( -2.620 -20.753 14.182) 25.272 12.753 ( 2.113 -12.553 -7.868) 14.965 13.494 ( 1.306 4.344 -0.718) 4.593 13.632 ( 0.306 -7.850 -0.820) 7.899 13.940 ( -1.542 -5.404 2.461) 6.134 14.184 ( 0.395 1.429 -5.411) 5.611 14.536 ( -2.727 13.202 4.741) 14.290 15.533 ( -0.468 13.413 3.086) 13.772 15.784 ( 4.608 -9.641 -2.861) 11.062 15.962 ( 9.829 -34.887 -0.455) 36.248 16.801 ( -5.200 42.754 -19.596) 47.317 16.964 ( -16.798 22.951 -1.855) 28.502 17.330 ( 7.920 34.659 -15.360) 38.728 18.526 ( 0.358 18.133 5.375) 18.917 19.298 ( -1.601 30.436 -4.585) 30.821 20.369 ( -8.104 8.761 5.989) 13.353 20.874 ( -0.571 7.114 -7.130) 10.088 22.513 ( -2.973 1.474 21.518) 21.772 23.313 ( -30.457 -1.503 -2.212) 30.574 24.312 ( 17.492 -3.264 -13.362) 22.252 24.583 ( 16.380 -2.220 -4.716) 17.190 26.186 ( 1.018 -3.874 2.199) 4.569 27.952 ( -3.355 -21.574 10.890) 24.398 ======================= Grid point 176 (78/140) ======================= q-point: ( 0.17 0.08 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( 4.031 -4.941 14.967) 16.269 1.570 ( 9.429 1.650 17.869) 20.272 2.161 ( 5.039 -0.835 -8.788) 10.164 2.403 ( 0.288 17.847 8.519) 19.778 2.589 ( -2.106 3.212 -6.044) 7.161 2.826 ( 8.517 20.572 -9.487) 24.202 3.225 ( -7.274 4.107 17.687) 19.561 3.340 ( -4.496 2.242 -0.019) 5.024 3.478 ( -6.890 10.656 3.618) 13.195 3.485 ( 1.140 4.072 3.133) 5.263 3.532 ( 3.547 6.166 -2.974) 7.710 3.848 ( 2.827 0.071 4.346) 5.185 4.206 ( 0.329 4.102 -1.336) 4.326 4.438 ( -1.014 -3.786 2.918) 4.886 4.509 ( -4.057 9.110 3.183) 10.468 5.101 ( 1.252 10.522 -0.197) 10.598 5.284 ( 14.446 12.442 -12.856) 22.995 5.344 ( -0.567 7.920 5.922) 9.905 5.675 ( -0.303 0.609 5.004) 5.050 5.775 ( -6.968 4.494 -0.815) 8.331 5.780 ( -1.821 16.067 -3.855) 16.623 5.952 ( -6.128 5.595 -4.492) 9.436 6.183 ( 0.369 12.393 4.071) 13.049 6.361 ( -1.297 5.455 -0.708) 5.651 6.474 ( 4.977 -0.799 -7.007) 8.632 6.653 ( -2.695 -4.872 -4.005) 6.859 6.749 ( -2.610 8.194 7.813) 11.619 7.024 ( 0.394 -5.409 1.774) 5.706 7.043 ( 1.839 3.775 -10.103) 10.941 7.250 ( 4.235 9.083 -6.211) 11.790 7.482 ( -4.411 4.379 2.102) 6.562 7.680 ( -5.884 4.720 1.672) 7.726 7.968 ( -0.873 -5.830 -1.705) 6.137 8.086 ( 3.224 -6.707 0.741) 7.478 8.204 ( 1.329 9.049 -11.464) 14.666 8.423 ( 0.875 15.684 -0.048) 15.709 8.430 ( -0.770 18.229 0.729) 18.260 8.593 ( -0.337 12.519 -0.255) 12.526 8.901 ( 2.621 14.786 -11.483) 18.903 8.965 ( 2.486 8.160 0.703) 8.559 9.165 ( -2.619 13.743 5.991) 15.219 9.419 ( -0.121 0.631 1.536) 1.665 9.718 ( 0.893 7.826 -3.666) 8.688 10.420 ( -1.102 0.470 11.712) 11.773 10.578 ( -0.129 -4.683 11.285) 12.219 10.690 ( -3.731 -18.233 -0.114) 18.611 11.145 ( -7.462 -3.893 18.825) 20.621 11.435 ( -3.271 -13.100 1.885) 13.633 11.649 ( -2.142 -10.693 3.423) 11.430 12.375 ( -0.223 -19.038 12.662) 22.865 12.753 ( 1.266 -11.799 -7.589) 14.086 13.488 ( -1.481 3.676 -3.944) 5.591 13.635 ( 0.295 -7.880 2.019) 8.140 13.930 ( -0.630 -5.086 3.528) 6.222 14.165 ( -0.036 3.067 -5.442) 6.247 14.497 ( -3.060 13.140 5.549) 14.588 15.502 ( -3.803 8.154 -2.832) 9.433 15.763 ( -7.448 6.191 0.773) 9.716 16.067 ( -8.222 2.810 4.546) 9.806 16.290 ( -14.299 17.991 -8.232) 24.411 16.931 ( 4.538 14.312 -4.554) 15.690 17.381 ( 2.367 27.231 -9.016) 28.782 18.547 ( -0.399 19.983 4.126) 20.408 19.299 ( 2.878 28.682 -3.058) 28.988 20.281 ( -3.872 11.794 11.362) 16.828 20.952 ( 9.732 5.021 -1.069) 11.003 22.287 ( -36.915 4.206 19.257) 41.848 22.700 ( -16.179 1.804 23.182) 28.327 24.378 ( 5.317 0.243 -21.304) 21.959 25.160 ( 28.578 -9.993 -17.685) 35.061 26.233 ( 3.559 -4.397 0.537) 5.682 27.812 ( -13.468 -15.262 12.265) 23.764 ======================= Grid point 177 (79/140) ======================= q-point: ( 0.33 0.08 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( -0.324 3.924 4.588) 6.045 1.838 ( 10.691 -0.653 5.419) 12.004 2.245 ( 7.379 1.579 -5.969) 9.621 2.379 ( -7.391 1.007 9.513) 12.088 2.577 ( -0.128 11.637 -1.531) 11.738 2.952 ( 7.545 18.852 -10.011) 22.640 3.061 ( -12.722 4.645 7.203) 15.340 3.239 ( -1.982 0.116 -3.530) 4.050 3.396 ( -3.579 5.512 1.327) 6.704 3.534 ( 0.784 10.757 -1.754) 10.927 3.587 ( 3.841 5.117 -0.895) 6.461 4.026 ( 9.118 0.494 11.124) 14.392 4.218 ( 1.626 1.063 0.687) 2.061 4.409 ( -1.941 0.310 7.979) 8.218 4.511 ( 1.608 5.104 5.590) 7.739 5.124 ( -0.642 6.304 3.925) 7.454 5.291 ( -3.643 11.595 1.468) 12.243 5.371 ( -8.178 11.821 4.095) 14.946 5.659 ( 0.730 6.118 -7.197) 9.474 5.743 ( -0.369 6.043 0.748) 6.100 5.755 ( 6.855 9.350 -8.007) 14.090 5.902 ( -1.013 6.745 8.334) 10.769 6.171 ( -1.271 12.176 1.800) 12.374 6.392 ( 5.048 7.821 -4.213) 10.218 6.454 ( -3.214 -0.499 -5.893) 6.731 6.661 ( 3.957 0.440 -6.473) 7.599 6.694 ( -4.134 5.258 8.737) 11.003 6.998 ( -0.956 -2.637 -4.448) 5.258 7.082 ( 2.614 7.070 -4.230) 8.644 7.277 ( 0.538 10.237 -8.785) 13.500 7.378 ( -6.262 5.498 3.305) 8.965 7.571 ( -3.369 4.688 -0.953) 5.851 7.946 ( -1.481 -7.289 0.180) 7.440 8.135 ( -0.661 -5.765 -1.659) 6.035 8.187 ( 4.008 3.770 -10.337) 11.710 8.375 ( -3.052 18.124 0.130) 18.380 8.451 ( 1.175 19.760 -2.749) 19.984 8.582 ( -0.360 15.157 -0.969) 15.192 8.817 ( -5.906 12.604 -7.473) 15.799 9.043 ( 4.147 8.797 -1.550) 9.848 9.160 ( -0.423 13.543 6.942) 15.224 9.441 ( 0.840 1.141 1.824) 2.310 9.728 ( 1.659 7.716 -3.924) 8.814 10.429 ( -7.355 -9.758 21.512) 24.741 10.552 ( -5.274 -14.252 14.942) 21.312 10.652 ( 1.445 -1.458 1.480) 2.531 11.130 ( -1.017 -2.268 11.359) 11.628 11.391 ( -1.674 -11.370 0.754) 11.517 11.624 ( -1.564 -10.057 3.412) 10.735 12.427 ( 0.093 -18.073 10.760) 21.034 12.746 ( 1.116 -9.405 -7.106) 11.840 13.418 ( -2.648 0.602 -5.454) 6.092 13.657 ( -0.033 -6.398 5.003) 8.122 13.941 ( -0.059 -5.364 3.921) 6.644 14.144 ( 0.523 7.726 -5.941) 9.760 14.471 ( -1.965 13.894 7.027) 15.694 15.259 ( -15.914 42.787 -7.401) 46.246 15.585 ( -8.432 30.830 18.430) 36.895 15.880 ( -6.608 -13.236 7.393) 16.538 16.302 ( 8.381 -25.934 -16.304) 31.759 17.038 ( 8.586 17.373 -7.836) 20.903 17.370 ( -0.081 19.783 -4.339) 20.253 18.543 ( -1.438 18.767 3.070) 19.071 19.351 ( 3.279 31.452 -3.660) 31.833 20.325 ( 2.333 13.948 19.349) 23.966 21.192 ( 12.980 1.820 1.262) 13.168 21.616 ( -34.352 5.940 20.323) 40.353 22.646 ( -4.721 2.247 25.443) 25.974 24.379 ( 3.965 1.240 -24.291) 24.644 25.410 ( 5.701 -9.967 -16.904) 20.435 26.336 ( 6.374 -5.452 -2.111) 8.650 27.612 ( -10.676 -9.368 12.090) 18.652 ======================= Grid point 178 (80/140) ======================= q-point: (-0.50 0.08 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( 7.784 2.674 -1.276) 8.329 1.882 ( -11.358 -1.580 -1.947) 11.631 2.172 ( -14.593 0.735 8.204) 16.757 2.437 ( 7.801 17.480 10.769) 21.964 2.498 ( -4.270 3.586 3.357) 6.509 2.873 ( -2.045 10.138 -8.607) 13.455 3.108 ( 7.538 6.244 -3.036) 10.248 3.239 ( 0.971 0.055 -2.838) 3.000 3.342 ( -1.680 1.836 1.959) 3.167 3.532 ( 2.674 14.970 -6.492) 16.535 3.651 ( 3.251 6.799 -3.154) 8.170 4.129 ( -0.374 3.344 2.216) 4.029 4.253 ( 1.130 -1.249 -1.432) 2.211 4.488 ( 4.266 -3.078 7.524) 9.180 4.581 ( -0.901 2.473 18.871) 19.054 4.994 ( -16.775 8.062 11.613) 21.938 5.223 ( -2.823 15.815 5.710) 17.050 5.316 ( 3.775 7.716 1.109) 8.661 5.614 ( -2.012 2.389 -1.411) 3.427 5.728 ( -0.942 13.269 3.681) 13.803 5.850 ( -3.279 9.287 0.237) 9.851 5.966 ( 14.083 5.692 -16.975) 22.779 6.204 ( 2.122 2.387 2.576) 4.104 6.404 ( 1.247 2.980 -3.312) 4.627 6.480 ( 5.184 7.946 -6.902) 11.732 6.585 ( -6.955 6.953 8.113) 12.749 6.762 ( 3.636 5.263 -1.559) 6.584 6.958 ( -1.976 -0.231 -2.421) 3.133 7.047 ( -3.538 9.470 -7.503) 12.590 7.232 ( 0.304 6.454 -7.185) 9.663 7.349 ( 2.468 10.947 4.571) 12.117 7.565 ( 2.964 5.634 -3.439) 7.236 7.901 ( -2.929 -3.206 -2.231) 4.882 8.068 ( -3.898 -6.871 -1.680) 8.076 8.224 ( 0.569 3.012 -3.490) 4.645 8.327 ( -1.191 16.431 -0.592) 16.485 8.468 ( 2.401 15.833 -4.007) 16.508 8.591 ( 2.613 19.247 -3.387) 19.716 8.683 ( -4.255 8.005 -2.751) 9.474 9.077 ( -0.410 10.228 -1.208) 10.307 9.182 ( -0.406 12.712 5.869) 14.008 9.466 ( 1.296 3.107 1.549) 3.706 9.747 ( 1.924 7.243 -4.630) 8.809 10.340 ( -9.317 -19.382 28.613) 35.793 10.588 ( 1.390 -4.656 8.575) 9.856 10.683 ( 0.790 -0.744 0.970) 1.456 11.156 ( -1.755 -0.985 12.546) 12.706 11.388 ( 2.166 -11.527 -2.724) 12.041 11.622 ( -0.074 -11.968 3.379) 12.436 12.443 ( -3.166 -18.295 10.725) 21.442 12.736 ( 0.762 -7.453 -6.961) 10.227 13.378 ( 1.094 -0.236 -5.163) 5.283 13.661 ( -1.840 -6.663 5.850) 9.056 13.953 ( -0.325 -5.387 3.690) 6.537 14.147 ( 2.377 10.291 -6.196) 12.245 14.488 ( 0.530 14.421 8.027) 16.513 15.052 ( -2.167 47.640 -1.860) 47.725 15.542 ( -3.815 16.745 14.493) 22.472 15.812 ( -3.322 -20.957 5.341) 21.881 16.416 ( 10.682 -16.377 -18.394) 26.844 17.164 ( 7.457 25.725 -13.251) 29.882 17.365 ( 1.557 12.383 -2.535) 12.735 18.521 ( -1.868 16.506 3.197) 16.916 19.390 ( 2.406 34.430 -4.751) 34.840 20.543 ( 10.504 12.989 26.933) 31.693 21.102 ( -20.346 8.634 3.049) 22.311 21.459 ( 7.763 -0.970 14.436) 16.419 22.682 ( -2.491 2.302 26.814) 27.028 24.332 ( 1.723 2.255 -25.471) 25.629 25.349 ( -3.175 -8.353 -14.032) 16.636 26.398 ( -0.244 -6.181 -3.025) 6.886 27.529 ( -2.427 -7.834 11.829) 14.394 ======================= Grid point 179 (81/140) ======================= q-point: (-0.33 0.08 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( -17.103 -6.007 -6.902) 19.397 1.510 ( -6.536 7.154 10.923) 14.601 1.949 ( -10.450 5.894 11.766) 16.804 2.480 ( 0.338 5.970 5.828) 8.350 2.596 ( 1.542 16.465 11.541) 20.166 2.833 ( 0.393 14.328 -13.467) 19.667 3.220 ( 3.861 -0.892 -1.793) 4.349 3.236 ( 2.478 1.290 0.590) 2.855 3.352 ( 0.306 -0.179 6.548) 6.557 3.596 ( 4.180 10.003 -4.356) 11.684 3.697 ( 3.759 10.305 -5.689) 12.357 4.066 ( -7.656 6.194 6.041) 11.553 4.276 ( 2.237 -0.035 -4.411) 4.946 4.515 ( -6.860 1.155 0.667) 6.988 4.624 ( 1.830 -0.414 11.161) 11.318 4.749 ( -7.820 8.648 10.417) 15.635 5.186 ( -3.887 16.307 2.979) 17.026 5.367 ( -3.735 5.799 5.171) 8.620 5.582 ( 1.827 2.860 3.130) 4.617 5.792 ( 5.639 9.041 -0.560) 10.670 5.884 ( 6.272 12.878 4.467) 15.005 6.065 ( 3.919 1.448 -22.814) 23.193 6.255 ( -0.789 0.634 7.780) 7.846 6.370 ( -4.848 -2.859 -6.122) 8.316 6.508 ( 1.416 8.104 4.843) 9.547 6.599 ( 7.220 13.966 -6.365) 16.961 6.783 ( -1.025 8.325 2.132) 8.655 6.878 ( -3.457 4.313 -4.360) 7.040 7.001 ( 0.878 0.834 -2.958) 3.196 7.198 ( -0.311 5.264 -9.662) 11.008 7.503 ( 8.721 11.539 7.476) 16.282 7.619 ( 2.505 8.258 -1.419) 8.745 7.846 ( 0.909 3.759 -6.823) 7.843 8.009 ( -1.259 -10.728 0.063) 10.802 8.191 ( -1.696 7.295 -3.044) 8.085 8.326 ( 0.693 13.041 1.825) 13.186 8.486 ( -0.975 7.616 -1.165) 7.767 8.618 ( 1.751 10.374 -4.778) 11.555 8.674 ( 3.694 19.649 -1.551) 20.053 9.022 ( -3.860 7.131 -1.140) 8.188 9.200 ( -0.008 14.216 4.907) 15.039 9.498 ( 1.071 3.965 0.806) 4.186 9.758 ( 0.992 6.777 -4.991) 8.475 10.320 ( -4.408 -15.910 25.975) 30.777 10.617 ( -2.137 -4.507 5.663) 7.547 10.690 ( 0.570 -2.100 -2.996) 3.703 11.183 ( -0.971 -0.227 16.376) 16.407 11.442 ( 3.715 -11.926 -2.176) 12.679 11.643 ( 0.843 -14.980 2.355) 15.187 12.402 ( -5.200 -19.760 12.370) 23.885 12.725 ( 1.316 -7.427 -7.277) 10.481 13.410 ( 3.516 1.491 -4.018) 5.543 13.640 ( -2.132 -7.258 4.535) 8.820 13.960 ( -0.395 -5.979 3.136) 6.763 14.176 ( 2.723 6.443 -6.380) 9.467 14.537 ( 0.762 12.967 6.452) 14.503 15.162 ( 14.002 37.052 -3.449) 39.760 15.544 ( -2.074 12.942 14.192) 19.318 15.795 ( -0.333 -24.438 4.263) 24.809 16.574 ( 12.890 -2.904 -17.642) 22.042 17.207 ( 3.417 29.489 -13.355) 32.552 17.390 ( 2.127 14.505 -11.097) 18.387 18.503 ( -1.410 15.118 4.273) 15.773 19.402 ( 0.806 36.558 -5.696) 37.008 20.725 ( -11.563 7.091 8.867) 16.205 20.950 ( 8.514 10.712 9.519) 16.669 21.732 ( 18.509 1.481 19.063) 26.612 22.775 ( 1.773 2.147 27.210) 27.352 24.253 ( 0.812 3.002 -23.861) 24.063 25.197 ( -8.738 -8.593 -10.676) 16.254 26.303 ( -7.178 -5.075 -1.291) 8.885 27.618 ( 6.087 -11.108 13.073) 18.203 ======================= Grid point 180 (82/140) ======================= q-point: (-0.17 0.08 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( -20.708 10.226 17.542) 29.002 1.468 ( -10.260 3.432 20.180) 22.897 1.958 ( 6.496 -2.288 0.916) 6.948 2.539 ( 2.744 -3.380 2.730) 5.139 2.563 ( -9.443 33.222 17.001) 38.495 2.778 ( 1.319 12.439 -15.964) 20.281 3.268 ( 1.914 -1.962 3.946) 4.805 3.343 ( 6.026 1.576 0.030) 6.229 3.385 ( -1.112 1.046 9.944) 10.061 3.619 ( -0.506 7.388 -5.916) 9.478 3.726 ( -0.659 6.283 -0.565) 6.343 3.889 ( -11.448 10.085 6.305) 16.508 4.240 ( -2.630 2.635 -6.735) 7.696 4.420 ( -0.298 3.143 2.804) 4.223 4.653 ( -1.103 7.022 -1.040) 7.183 4.825 ( 9.549 0.224 0.123) 9.553 5.109 ( -2.916 14.473 -0.691) 14.780 5.293 ( -5.298 8.541 11.719) 15.438 5.671 ( 4.181 9.245 2.894) 10.551 5.889 ( 4.434 13.947 -0.872) 14.661 5.972 ( -4.774 4.666 -17.580) 18.804 6.091 ( 10.265 0.719 6.656) 12.255 6.182 ( -4.397 4.558 -4.470) 7.752 6.251 ( -4.227 -4.564 -3.298) 7.041 6.580 ( -1.249 7.264 4.860) 8.829 6.624 ( -1.199 9.657 1.387) 9.830 6.798 ( -0.676 -5.670 -6.036) 8.309 6.892 ( 8.484 10.196 3.596) 13.743 7.017 ( 2.335 -0.882 -5.565) 6.099 7.157 ( 0.587 6.844 -9.014) 11.333 7.619 ( -1.103 8.099 -2.201) 8.465 7.676 ( 3.647 7.003 8.340) 11.485 7.887 ( 4.455 -2.044 -2.383) 5.450 8.046 ( 5.165 -1.864 -5.371) 7.681 8.154 ( 0.107 7.078 -4.224) 8.244 8.346 ( -0.844 10.487 4.495) 11.441 8.441 ( -1.779 8.727 2.641) 9.290 8.630 ( 0.163 15.013 -3.404) 15.395 8.754 ( 5.857 16.296 -5.078) 18.046 8.956 ( -2.122 7.458 -0.232) 7.758 9.209 ( -1.201 13.459 3.907) 14.066 9.500 ( -1.092 3.175 -0.671) 3.424 9.745 ( -0.180 7.243 -4.531) 8.545 10.362 ( -1.645 -10.583 21.191) 23.744 10.565 ( -4.381 -2.257 5.627) 7.480 10.692 ( 1.811 -6.174 -6.782) 9.349 11.234 ( -1.938 -1.845 17.666) 17.867 11.491 ( 1.331 -11.504 0.096) 11.581 11.667 ( 0.465 -17.069 2.115) 17.206 12.360 ( -4.429 -21.379 13.966) 25.918 12.735 ( 2.697 -10.073 -7.724) 12.976 13.460 ( 2.553 3.480 -1.640) 4.617 13.627 ( -0.304 -7.427 1.313) 7.548 13.958 ( -1.034 -6.136 2.398) 6.668 14.191 ( 1.384 2.627 -6.003) 6.697 14.556 ( -1.150 12.925 4.739) 13.815 15.466 ( 13.190 18.029 -9.262) 24.183 15.601 ( 5.358 7.420 14.356) 17.025 15.833 ( 2.738 -30.442 3.219) 30.734 16.749 ( 10.502 13.596 -14.106) 22.229 17.232 ( 4.285 26.103 -9.458) 28.093 17.303 ( -4.780 30.361 -22.332) 37.992 18.504 ( -0.503 15.581 5.239) 16.446 19.367 ( -1.992 35.520 -6.014) 36.080 20.525 ( -9.989 8.304 4.191) 13.649 20.984 ( -4.730 5.710 -6.289) 9.722 22.310 ( 19.853 1.679 19.757) 28.059 23.106 ( 28.258 0.656 14.192) 31.628 24.175 ( -0.316 2.630 -17.242) 17.445 24.844 ( -23.766 -7.510 -4.688) 25.362 26.190 ( -3.152 -3.639 1.904) 5.178 27.834 ( 8.654 -18.490 12.779) 24.084 ======================= Grid point 181 (83/140) ======================= q-point: ( 0.00 0.15 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( -3.440 25.001 6.610) 26.088 1.669 ( 2.566 16.991 6.348) 18.319 2.006 ( 5.826 -2.207 5.599) 8.376 2.378 ( 0.053 -1.085 0.375) 1.149 2.919 ( 2.275 9.869 -11.157) 15.069 3.140 ( -5.104 2.090 5.553) 7.826 3.396 ( 3.147 14.011 0.506) 14.369 3.543 ( 1.654 8.746 6.499) 11.021 3.604 ( 2.233 9.932 -2.337) 10.445 3.671 ( -7.416 12.682 -0.384) 14.697 3.917 ( 0.575 9.151 -3.995) 10.002 3.991 ( -9.448 27.554 18.548) 34.533 4.326 ( -1.434 4.844 -0.475) 5.075 4.484 ( -0.611 6.609 3.345) 7.433 4.768 ( -5.468 7.808 3.694) 10.223 5.153 ( 11.974 8.453 -2.605) 14.886 5.360 ( 1.496 11.918 -5.792) 13.335 5.492 ( 1.138 6.772 9.900) 12.049 5.792 ( -2.875 5.078 -6.895) 9.033 6.018 ( -4.820 5.648 10.597) 12.940 6.103 ( -2.989 2.174 -4.424) 5.765 6.157 ( 5.878 1.549 -12.561) 13.954 6.307 ( 5.996 10.014 0.075) 11.672 6.429 ( 4.055 8.962 -0.711) 9.862 6.512 ( -7.453 2.529 1.312) 7.979 6.574 ( -2.126 -4.368 -9.322) 10.512 6.794 ( 1.214 -1.736 -0.953) 2.323 7.024 ( 4.527 -1.525 -10.998) 11.990 7.105 ( -3.186 9.327 7.150) 12.177 7.489 ( 4.102 14.396 -1.456) 15.039 7.540 ( -3.976 -2.631 6.764) 8.276 7.870 ( -2.779 2.008 5.001) 6.064 7.968 ( 2.372 8.423 -4.696) 9.931 8.086 ( -5.381 14.435 1.738) 15.503 8.526 ( 5.246 18.968 -5.709) 20.492 8.678 ( 6.827 14.601 3.480) 16.489 8.864 ( -1.895 17.277 2.268) 17.528 8.965 ( 0.928 26.631 -3.637) 26.894 9.121 ( 2.424 21.462 -7.879) 22.990 9.442 ( 1.287 28.868 3.660) 29.128 9.480 ( -2.232 11.189 -0.181) 11.411 9.600 ( -2.421 21.930 1.248) 22.099 9.868 ( -0.873 6.347 0.805) 6.457 10.325 ( 0.908 2.504 11.708) 12.007 10.534 ( 0.768 6.332 -5.753) 8.589 10.687 ( -2.273 5.982 0.672) 6.434 11.250 ( -7.070 4.465 16.489) 18.488 11.337 ( -0.638 -0.271 -4.199) 4.255 11.544 ( 0.752 2.022 3.829) 4.395 11.981 ( -1.127 -13.869 8.991) 16.567 12.590 ( 1.864 -5.395 -9.770) 11.315 13.388 ( 0.441 -11.412 -1.111) 11.475 13.436 ( 0.176 -9.927 3.067) 10.392 13.813 ( -1.278 -7.816 3.526) 8.669 14.016 ( -0.196 -14.717 -1.279) 14.774 14.623 ( 0.758 -11.494 -7.452) 13.719 15.051 ( 0.311 -33.359 3.284) 33.522 15.486 ( -0.373 -15.993 1.545) 16.072 16.228 ( 5.048 39.070 2.580) 39.479 17.338 ( -1.759 26.295 8.006) 27.543 17.587 ( -3.300 25.360 -9.554) 27.300 18.121 ( 3.587 30.228 -33.948) 45.597 18.933 ( 6.202 20.178 4.263) 21.536 19.851 ( -8.134 19.716 -9.505) 23.350 20.679 ( -4.509 22.397 8.141) 24.254 21.104 ( -0.470 15.373 -6.121) 16.554 22.565 ( -1.448 3.745 18.564) 18.993 23.258 ( -21.243 -4.194 -2.387) 21.785 24.259 ( 14.048 -1.567 -5.106) 15.029 24.536 ( 9.479 -1.995 -9.520) 13.582 26.076 ( 0.587 -6.819 1.550) 7.018 27.466 ( -2.649 -24.664 15.751) 29.384 ======================= Grid point 182 (84/140) ======================= q-point: ( 0.17 0.15 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( 7.456 13.557 4.356) 16.073 1.746 ( 2.454 14.311 4.647) 15.246 2.152 ( 6.744 -2.275 3.829) 8.082 2.375 ( 0.259 2.876 -5.041) 5.810 2.934 ( 2.991 16.596 -5.001) 17.590 3.080 ( -1.839 0.787 1.501) 2.501 3.415 ( -1.710 11.165 -3.334) 11.777 3.486 ( -8.450 7.192 0.881) 11.131 3.607 ( 2.317 3.349 5.645) 6.961 3.703 ( 4.749 12.836 -0.841) 13.712 3.754 ( -11.762 16.309 11.252) 23.042 4.036 ( 4.090 23.524 3.130) 24.081 4.324 ( 0.920 5.013 0.600) 5.132 4.454 ( -2.935 7.753 3.102) 8.852 4.674 ( -5.624 6.651 7.411) 11.436 5.252 ( -1.024 2.967 5.021) 5.921 5.452 ( 8.177 10.754 -11.287) 17.604 5.621 ( 6.807 4.461 8.197) 11.551 5.729 ( -1.146 10.106 -2.807) 10.551 5.917 ( -3.791 9.417 -0.781) 10.182 5.980 ( -9.292 1.154 0.709) 9.390 6.165 ( -2.151 17.333 -5.460) 18.299 6.312 ( 3.458 -3.241 -7.375) 8.767 6.476 ( 1.615 2.351 -1.871) 3.410 6.514 ( 1.219 3.179 0.533) 3.446 6.624 ( 8.455 4.436 -3.425) 10.144 6.805 ( 1.082 -5.408 -3.683) 6.632 7.018 ( -8.554 8.638 8.023) 14.565 7.126 ( 8.364 3.048 -8.469) 12.287 7.464 ( -2.350 6.513 1.774) 7.148 7.577 ( 1.975 7.520 4.227) 8.849 7.772 ( -7.829 2.631 4.666) 9.486 7.999 ( 2.661 9.104 -8.029) 12.427 8.046 ( -1.272 11.263 5.546) 12.619 8.553 ( 0.553 21.593 -9.101) 23.439 8.791 ( 2.081 12.273 3.100) 12.828 8.876 ( 2.907 20.016 2.250) 20.351 8.964 ( 0.769 25.532 -5.259) 26.079 9.139 ( 3.180 21.446 -8.386) 23.246 9.433 ( -2.512 9.582 1.611) 10.036 9.483 ( 1.162 27.094 0.268) 27.120 9.530 ( -5.018 23.167 4.714) 24.169 9.857 ( -0.772 5.712 1.421) 5.937 10.344 ( -4.329 1.227 9.586) 10.589 10.552 ( 2.446 8.643 -1.967) 9.195 10.652 ( -1.094 4.268 0.931) 4.503 11.178 ( -6.288 5.900 16.430) 18.555 11.298 ( -1.364 -1.024 -3.178) 3.607 11.544 ( -2.534 2.102 4.828) 5.843 12.020 ( 1.525 -14.179 6.920) 15.851 12.591 ( 2.263 -5.696 -9.084) 10.959 13.348 ( -3.354 -11.663 -1.838) 12.274 13.468 ( 1.336 -9.327 3.238) 9.964 13.806 ( -0.917 -7.790 3.930) 8.773 14.004 ( -0.426 -14.419 -1.331) 14.487 14.595 ( -0.405 -11.617 -6.624) 13.379 15.096 ( 2.935 -30.651 3.231) 30.960 15.478 ( -1.178 -17.215 1.354) 17.308 16.321 ( 3.976 35.626 -2.509) 35.935 17.173 ( -20.561 32.896 7.806) 39.570 17.519 ( 3.675 32.264 -9.951) 33.963 17.988 ( -3.088 28.588 -24.068) 37.497 19.005 ( -0.265 22.811 -2.148) 22.913 19.777 ( 2.947 16.346 0.828) 16.630 20.677 ( 0.326 26.055 10.656) 28.151 21.127 ( 4.683 12.665 -1.714) 13.612 22.405 ( -29.397 6.979 12.570) 32.724 22.761 ( -14.807 4.055 19.684) 24.963 24.393 ( 6.237 1.220 -17.531) 18.647 24.919 ( 23.282 -12.620 -12.457) 29.266 26.108 ( 2.464 -7.772 0.356) 8.161 27.429 ( -6.736 -21.277 13.785) 26.232 ======================= Grid point 183 (85/140) ======================= q-point: ( 0.33 0.15 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( 2.997 11.511 -1.913) 12.048 1.843 ( 6.213 5.560 2.252) 8.636 2.283 ( 5.313 -0.779 -1.145) 5.490 2.338 ( -1.160 4.143 -5.633) 7.088 2.956 ( -2.823 12.259 9.060) 15.503 3.124 ( 7.683 7.556 -6.874) 12.782 3.276 ( -14.109 12.430 6.008) 19.739 3.346 ( -3.690 7.299 2.635) 8.593 3.556 ( -6.329 8.570 4.981) 11.761 3.719 ( 3.177 8.462 -1.722) 9.201 3.802 ( 6.291 12.670 -4.338) 14.796 4.140 ( 4.585 12.733 -0.137) 13.534 4.336 ( -0.374 10.354 -0.545) 10.375 4.422 ( -1.219 3.600 5.063) 6.331 4.642 ( -1.582 6.353 11.967) 13.641 5.232 ( -2.638 4.217 3.189) 5.909 5.468 ( -2.445 5.675 -0.542) 6.203 5.658 ( -6.843 12.227 7.510) 15.897 5.759 ( 2.000 2.667 5.090) 6.084 5.846 ( 1.042 4.077 -2.970) 5.151 5.967 ( 7.483 12.240 -15.790) 21.334 6.123 ( -1.355 12.938 2.885) 13.325 6.347 ( -0.239 -0.018 -3.098) 3.107 6.460 ( -1.710 3.720 -0.535) 4.129 6.538 ( 3.392 5.632 -2.831) 7.159 6.758 ( -6.595 -4.105 3.669) 8.591 6.795 ( 9.533 9.991 -8.779) 16.364 6.934 ( 0.656 3.808 5.016) 6.332 7.238 ( 4.760 5.707 -6.690) 9.999 7.428 ( -1.689 3.311 -0.284) 3.728 7.640 ( 2.736 18.109 5.714) 19.185 7.669 ( -4.094 1.228 6.695) 7.943 7.968 ( -2.650 17.848 -6.294) 19.110 8.055 ( 0.031 1.628 1.815) 2.439 8.497 ( -0.977 23.632 -12.932) 26.957 8.796 ( -2.490 12.140 4.095) 13.051 8.942 ( 1.486 26.383 -1.068) 26.447 8.957 ( 1.372 22.957 -4.771) 23.487 9.181 ( 3.148 15.796 -6.077) 17.215 9.343 ( -6.128 29.987 -1.237) 30.632 9.462 ( -1.047 9.087 3.230) 9.700 9.532 ( 0.685 16.888 4.695) 17.542 9.853 ( -0.747 5.666 5.013) 7.602 10.250 ( -7.603 5.687 9.660) 13.545 10.600 ( 3.080 8.909 -2.733) 9.815 10.662 ( 0.918 2.605 3.400) 4.381 11.161 ( -1.826 5.900 13.642) 14.975 11.270 ( -0.378 -1.503 -2.151) 2.651 11.497 ( -3.809 0.671 4.692) 6.081 12.079 ( 1.440 -14.460 5.131) 15.411 12.603 ( 2.376 -5.693 -8.147) 10.219 13.269 ( -3.101 -10.194 -2.298) 10.900 13.499 ( -0.014 -9.670 4.037) 10.478 13.810 ( -0.410 -8.130 3.984) 9.063 13.992 ( 0.058 -14.553 -1.913) 14.678 14.565 ( 0.223 -13.296 -6.186) 14.666 15.185 ( 4.026 -26.593 4.482) 27.267 15.449 ( -2.202 -17.900 1.455) 18.094 16.315 ( -3.890 33.739 -13.034) 36.378 16.778 ( -15.956 49.357 10.115) 52.849 17.630 ( 9.336 28.848 -5.126) 30.751 17.867 ( -0.266 27.785 -16.256) 32.192 18.947 ( -3.495 18.700 -3.160) 19.284 19.889 ( 5.616 20.608 4.924) 21.920 20.770 ( 3.971 27.678 13.501) 31.050 21.265 ( 8.518 6.354 3.553) 11.205 21.810 ( -30.559 12.787 12.365) 35.359 22.716 ( -3.788 4.505 22.105) 22.875 24.419 ( 4.490 2.647 -20.710) 21.356 25.160 ( 6.575 -13.720 -12.036) 19.399 26.178 ( 4.375 -9.875 -1.661) 10.928 27.347 ( -6.160 -16.301 11.104) 20.663 ======================= Grid point 184 (86/140) ======================= q-point: (-0.50 0.15 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 0.676 8.689 -5.065) 10.080 1.895 ( -3.658 4.798 0.322) 6.042 2.245 ( -5.123 7.333 -5.627) 10.568 2.362 ( 0.585 -3.440 1.742) 3.900 2.939 ( -2.255 7.113 4.924) 8.940 3.098 ( -2.598 15.363 8.795) 17.892 3.250 ( 5.569 15.902 0.105) 16.849 3.329 ( -1.412 2.024 10.410) 10.699 3.475 ( -2.867 12.224 -1.534) 12.649 3.763 ( 2.735 8.753 -4.873) 10.385 3.895 ( 4.238 14.991 -7.212) 17.167 4.199 ( 5.789 2.736 -13.889) 15.294 4.335 ( 1.820 10.114 -0.540) 10.291 4.459 ( 1.022 1.622 12.858) 13.000 4.651 ( -3.706 4.502 8.839) 10.590 5.161 ( -7.443 7.850 8.861) 13.984 5.463 ( 2.600 4.992 0.447) 5.647 5.568 ( -5.751 14.151 12.881) 19.981 5.743 ( -3.928 9.271 -0.377) 10.076 5.889 ( -0.714 4.998 2.873) 5.809 5.999 ( 3.768 2.852 -12.776) 13.622 6.121 ( -0.048 9.375 -0.051) 9.375 6.310 ( 1.641 7.658 -3.404) 8.540 6.442 ( -1.175 0.721 -1.175) 1.812 6.610 ( 4.245 8.279 -2.476) 9.628 6.668 ( -3.423 -8.294 2.004) 9.194 6.883 ( 4.083 5.067 -12.034) 13.681 7.032 ( 2.939 12.906 11.564) 17.577 7.226 ( -0.512 5.619 -7.511) 9.394 7.421 ( -0.049 5.637 -5.402) 7.808 7.639 ( -2.315 2.458 8.048) 8.727 7.749 ( 5.272 22.494 8.065) 24.471 7.912 ( 1.746 16.865 -7.025) 18.353 8.029 ( -3.812 1.930 1.638) 4.576 8.434 ( 0.789 22.201 -15.055) 26.835 8.731 ( -6.019 8.703 5.023) 11.713 8.935 ( 0.140 25.717 -3.797) 25.996 8.963 ( -0.952 28.584 0.631) 28.606 9.142 ( -2.125 19.031 -5.542) 19.935 9.294 ( 0.053 25.770 0.420) 25.774 9.480 ( 0.994 7.802 3.869) 8.765 9.564 ( 1.386 12.850 2.034) 13.083 9.870 ( -0.150 6.906 6.317) 9.361 10.179 ( -3.474 8.922 10.307) 14.068 10.632 ( 2.232 6.393 -8.269) 10.688 10.704 ( 0.821 3.949 7.020) 8.097 11.203 ( 0.456 5.921 12.245) 13.609 11.266 ( 1.080 -0.698 -2.589) 2.891 11.454 ( -2.047 -1.451 3.962) 4.690 12.097 ( -1.963 -14.478 5.104) 15.476 12.611 ( 1.644 -5.400 -7.820) 9.644 13.234 ( 0.810 -9.369 -2.560) 9.746 13.495 ( -2.185 -10.043 4.973) 11.417 13.819 ( -0.434 -8.211 3.864) 9.085 13.995 ( 1.142 -15.085 -2.483) 15.330 14.560 ( 1.977 -14.711 -6.480) 16.196 15.227 ( -3.686 -27.597 6.514) 28.594 15.441 ( 1.856 -16.856 1.045) 16.990 16.105 ( -7.637 46.594 -8.580) 47.989 16.744 ( 5.927 41.406 5.010) 42.127 17.728 ( 0.690 19.140 -4.365) 19.644 17.904 ( 11.719 35.948 -19.102) 42.362 18.864 ( -3.853 15.286 -0.565) 15.774 20.014 ( 5.403 25.374 2.616) 26.074 20.933 ( 5.840 23.574 14.917) 28.502 21.369 ( -16.142 17.039 1.310) 23.508 21.469 ( 7.942 3.360 15.508) 17.744 22.750 ( -1.962 4.147 22.244) 22.712 24.399 ( 2.316 4.114 -21.828) 22.333 25.135 ( -3.171 -12.012 -9.248) 15.487 26.220 ( -0.154 -11.062 -2.378) 11.315 27.301 ( -2.681 -14.337 10.267) 17.836 ======================= Grid point 185 (87/140) ======================= q-point: (-0.33 0.15 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( -2.018 8.649 -4.090) 9.778 1.771 ( -6.125 14.219 1.606) 15.566 2.052 ( -13.351 7.305 5.124) 16.059 2.364 ( -0.420 -2.751 2.535) 3.764 2.925 ( 1.174 1.457 -2.726) 3.306 3.191 ( 2.784 2.676 7.747) 8.656 3.320 ( -2.060 13.404 7.908) 15.698 3.362 ( 4.055 21.486 6.231) 22.736 3.462 ( 3.752 12.723 -5.673) 14.427 3.784 ( 1.810 8.631 -5.199) 10.237 3.909 ( 0.926 8.343 -7.325) 11.141 4.247 ( 1.680 7.977 -4.706) 9.413 4.373 ( 0.758 12.710 1.278) 12.797 4.557 ( -7.614 2.305 4.625) 9.202 4.612 ( 11.519 1.398 3.059) 12.000 5.002 ( -12.711 15.388 13.119) 23.885 5.481 ( -2.608 8.893 11.538) 14.799 5.602 ( -7.735 16.737 2.398) 18.593 5.633 ( 6.034 2.821 3.693) 7.616 5.904 ( 5.374 1.930 -9.366) 10.969 6.054 ( 2.748 0.429 0.024) 2.781 6.094 ( 0.206 2.407 -5.528) 6.033 6.368 ( -3.901 2.723 -5.012) 6.910 6.387 ( 2.468 11.567 -0.818) 11.856 6.614 ( -2.059 -6.308 -0.286) 6.642 6.672 ( 2.373 2.212 2.149) 3.891 6.863 ( 0.250 4.086 -16.419) 16.922 7.094 ( -1.069 14.010 13.348) 19.380 7.221 ( -0.922 13.916 -1.754) 14.057 7.333 ( -1.673 0.573 -13.985) 14.097 7.634 ( -1.956 0.679 7.783) 8.053 7.860 ( -1.361 11.203 10.740) 15.579 7.950 ( 1.332 15.240 -5.765) 16.348 8.025 ( 9.204 15.627 -0.923) 18.159 8.411 ( 2.789 20.237 -14.162) 24.858 8.617 ( -7.622 6.949 7.704) 12.874 8.917 ( -1.613 28.067 1.707) 28.165 8.947 ( 0.530 25.931 -1.545) 25.983 9.125 ( 0.998 11.259 -5.353) 12.507 9.306 ( 2.025 33.284 0.993) 33.360 9.511 ( -0.024 12.043 5.184) 13.111 9.601 ( 1.779 9.743 -0.695) 9.928 9.887 ( -0.302 8.047 3.264) 8.689 10.192 ( -0.233 8.131 11.832) 14.358 10.616 ( 0.100 5.036 -10.427) 11.580 10.733 ( -0.861 5.405 6.425) 8.440 11.266 ( -0.221 6.739 15.104) 16.541 11.295 ( 3.527 -0.779 -5.661) 6.715 11.454 ( 0.513 -1.794 3.355) 3.839 12.051 ( -4.635 -14.013 6.440) 16.104 12.605 ( 1.188 -5.059 -8.301) 9.794 13.276 ( 3.969 -10.004 -2.227) 10.990 13.464 ( -2.741 -10.243 4.794) 11.637 13.823 ( -0.710 -8.126 3.832) 9.012 14.011 ( 1.264 -15.463 -2.313) 15.686 14.587 ( 3.382 -14.634 -7.346) 16.720 15.135 ( -6.230 -28.353 4.892) 29.439 15.482 ( 0.535 -16.538 2.251) 16.699 16.037 ( 1.916 47.191 -1.076) 47.242 16.967 ( 14.380 35.624 1.459) 38.444 17.696 ( -1.271 19.760 -4.490) 20.304 18.043 ( 11.321 33.410 -29.406) 45.925 18.809 ( -2.078 13.419 3.584) 14.044 20.096 ( 2.326 28.330 -3.896) 28.692 20.952 ( -10.189 15.390 10.550) 21.260 21.233 ( 0.078 15.879 -3.361) 16.231 21.823 ( 23.467 8.296 19.229) 31.453 22.832 ( 2.300 3.008 20.959) 21.298 24.339 ( 0.621 5.192 -20.568) 21.223 24.980 ( -10.248 -11.763 -5.829) 16.655 26.155 ( -4.758 -9.318 -0.938) 10.504 27.329 ( 0.692 -16.711 12.063) 20.622 ======================= Grid point 186 (88/140) ======================= q-point: (-0.17 0.15 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( -6.146 26.732 2.375) 27.532 1.673 ( -5.681 14.060 3.696) 15.608 1.913 ( -1.075 1.002 8.513) 8.639 2.372 ( -0.034 -2.692 2.541) 3.702 2.928 ( 1.097 3.398 -7.995) 8.756 3.204 ( -3.413 -0.592 6.786) 7.619 3.333 ( 2.023 12.031 2.489) 12.451 3.472 ( 3.389 23.692 5.366) 24.527 3.538 ( 4.452 11.025 -1.419) 11.974 3.812 ( 0.518 11.681 -6.365) 13.313 3.862 ( -0.888 7.112 -3.621) 8.030 4.170 ( -11.278 18.137 13.812) 25.435 4.386 ( -2.673 10.113 -1.789) 10.612 4.453 ( -0.419 1.143 4.084) 4.261 4.843 ( -2.894 7.173 3.970) 8.695 4.893 ( 12.420 11.479 -2.186) 17.053 5.434 ( -7.364 15.055 -0.777) 16.778 5.481 ( -2.750 8.743 11.478) 14.688 5.797 ( 5.786 3.765 2.331) 7.286 5.982 ( 3.892 0.464 -6.280) 7.403 6.095 ( 3.585 -3.777 -5.493) 7.569 6.129 ( 5.509 1.506 -1.990) 6.048 6.256 ( -5.118 9.038 -3.596) 10.991 6.383 ( -0.062 13.368 -0.406) 13.375 6.574 ( -2.794 -9.017 3.106) 9.938 6.747 ( 3.311 1.661 0.423) 3.729 6.766 ( -4.269 5.923 -15.102) 16.774 7.076 ( -6.023 3.958 -8.073) 10.822 7.116 ( -1.676 11.585 7.747) 14.037 7.376 ( 6.557 5.423 -3.392) 9.160 7.606 ( -4.003 1.949 5.827) 7.333 7.855 ( 0.338 -0.021 3.970) 3.984 7.964 ( -0.021 17.913 -0.155) 17.914 8.167 ( 1.298 14.318 -2.192) 14.543 8.433 ( 4.977 19.524 -7.091) 21.360 8.562 ( 1.034 11.961 6.073) 13.455 8.896 ( -1.930 21.728 3.187) 22.046 8.959 ( 1.166 24.279 -3.136) 24.508 9.112 ( 0.991 17.385 -6.374) 18.543 9.382 ( 3.808 33.705 1.881) 33.971 9.515 ( -1.371 13.546 2.722) 13.885 9.617 ( -0.037 12.552 0.293) 12.556 9.883 ( -0.913 7.599 1.223) 7.751 10.251 ( 1.107 5.593 12.355) 13.607 10.566 ( -0.674 5.023 -9.014) 10.341 10.723 ( -2.051 6.385 3.329) 7.487 11.294 ( -3.719 4.962 15.764) 16.940 11.339 ( 2.569 -0.543 -5.276) 5.893 11.496 ( 2.170 0.516 3.138) 3.850 11.994 ( -3.786 -13.766 8.461) 16.596 12.595 ( 1.582 -5.047 -9.314) 10.711 13.348 ( 3.573 -10.545 -1.135) 11.192 13.438 ( -1.514 -10.471 3.575) 11.167 13.822 ( -0.980 -8.076 3.579) 8.888 14.020 ( 0.456 -15.243 -1.716) 15.346 14.619 ( 2.803 -13.104 -7.885) 15.548 15.061 ( -2.944 -31.373 3.752) 31.733 15.486 ( -0.539 -15.273 2.172) 15.436 16.117 ( 4.907 42.236 2.850) 42.616 17.238 ( 9.883 31.141 3.946) 32.909 17.652 ( -1.089 20.321 -5.519) 21.085 18.114 ( 10.312 31.462 -36.677) 49.411 18.822 ( 1.773 14.503 6.218) 15.879 20.045 ( -5.050 26.240 -9.803) 28.463 20.784 ( -9.314 17.967 7.907) 21.727 21.176 ( -3.056 13.396 -7.714) 15.758 22.375 ( 17.025 4.897 16.761) 24.388 23.103 ( 21.323 -1.504 8.096) 22.858 24.251 ( -3.274 4.392 -13.878) 14.920 24.675 ( -16.840 -8.076 -2.664) 18.865 26.081 ( -2.134 -7.047 1.245) 7.467 27.410 ( 1.318 -21.933 14.917) 26.558 ======================= Grid point 187 (89/140) ======================= q-point: ( 0.00 0.23 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( -4.895 11.104 -1.841) 12.274 1.871 ( 4.680 3.974 -3.428) 7.032 2.193 ( -1.443 20.391 4.450) 20.921 2.556 ( 6.131 17.521 -1.963) 18.667 3.058 ( 2.053 -0.483 -0.862) 2.279 3.178 ( -0.933 8.995 9.463) 13.089 3.532 ( 4.426 5.733 0.270) 7.248 3.694 ( -2.587 4.217 -2.261) 5.439 3.772 ( -2.435 6.898 -3.840) 8.262 3.956 ( -2.434 13.550 1.329) 13.831 4.171 ( -4.590 15.243 2.011) 16.046 4.375 ( -2.230 2.438 -0.186) 3.309 4.599 ( -2.085 12.682 10.502) 16.597 4.716 ( 4.390 23.371 4.485) 24.199 4.935 ( -9.604 11.525 7.780) 16.900 5.320 ( 2.133 5.506 7.086) 9.224 5.484 ( -2.931 0.832 1.603) 3.443 5.633 ( 2.337 8.072 -6.641) 10.711 5.921 ( -0.507 1.557 -0.568) 1.733 6.013 ( 4.357 1.775 4.484) 6.500 6.101 ( 3.644 -2.047 -5.010) 6.524 6.205 ( -0.110 3.098 -2.948) 4.278 6.358 ( 5.226 -7.404 0.642) 9.085 6.430 ( 0.572 1.883 1.044) 2.228 6.573 ( 0.349 5.397 -5.635) 7.811 6.717 ( -1.972 -0.347 -21.401) 21.495 6.823 ( -5.257 10.444 -1.045) 11.739 7.048 ( 5.526 6.680 -4.423) 9.732 7.285 ( -2.445 7.209 3.973) 8.586 7.436 ( 0.749 -2.368 7.254) 7.668 7.758 ( -2.282 8.397 1.744) 8.875 7.828 ( 2.996 -1.370 -8.911) 9.501 8.339 ( -4.806 19.494 4.110) 20.494 8.460 ( -1.951 19.086 9.986) 21.629 8.801 ( 0.051 10.762 9.867) 14.601 8.928 ( 4.614 11.471 -3.044) 12.734 9.256 ( 0.839 22.287 -2.373) 22.429 9.520 ( 3.207 19.219 -5.832) 20.339 9.557 ( -1.518 14.683 -1.808) 14.871 9.752 ( -2.849 15.525 7.988) 17.690 9.929 ( 1.675 13.089 2.550) 13.440 9.977 ( 0.229 29.828 -7.164) 30.677 10.353 ( 1.731 23.040 -5.798) 23.822 10.595 ( 0.526 32.695 -3.165) 32.852 10.738 ( 1.907 12.004 -7.058) 14.055 10.925 ( -2.540 10.782 2.268) 11.307 11.302 ( -4.036 13.144 9.209) 16.549 11.548 ( -1.026 13.980 4.278) 14.656 11.771 ( 1.621 7.243 -2.586) 7.860 11.869 ( -3.883 14.853 16.775) 22.739 12.543 ( 1.945 3.277 -11.921) 12.515 13.140 ( -0.358 -11.030 -0.412) 11.044 13.220 ( 1.109 -10.416 1.382) 10.566 13.604 ( -1.105 -13.028 3.441) 13.520 13.666 ( 0.044 -18.782 0.302) 18.784 14.099 ( 0.685 -26.816 -3.491) 27.051 14.730 ( 1.083 -6.448 -3.051) 7.215 15.186 ( -0.180 -13.000 -0.572) 13.013 17.036 ( 2.905 37.411 3.913) 37.727 17.836 ( -5.142 21.292 9.233) 23.770 18.013 ( 1.242 16.847 -7.024) 18.295 18.497 ( 0.591 9.862 -18.593) 21.055 19.281 ( 11.873 13.469 -0.640) 17.967 20.083 ( -11.626 5.042 -6.759) 14.362 21.205 ( -1.080 26.375 3.885) 26.682 21.464 ( -0.602 18.889 -4.638) 19.459 22.659 ( -0.724 5.110 13.955) 14.879 23.135 ( -10.022 -8.091 -0.402) 12.886 24.234 ( 6.912 -1.511 2.790) 7.605 24.515 ( 5.221 -0.094 -13.505) 14.479 25.917 ( 0.333 -8.540 1.007) 8.606 26.974 ( -1.942 -23.627 11.969) 26.557 ======================= Grid point 188 (90/140) ======================= q-point: ( 0.17 0.23 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( 0.401 11.298 -0.707) 11.327 1.979 ( 5.719 2.791 -3.748) 7.385 2.179 ( -0.701 12.685 5.685) 13.918 2.638 ( 2.816 18.810 -8.057) 20.656 3.049 ( -2.713 -2.064 4.678) 5.788 3.252 ( 5.556 14.105 1.410) 15.225 3.567 ( -1.421 5.994 -2.505) 6.650 3.609 ( -7.091 4.716 -0.500) 8.530 3.701 ( -1.140 6.708 6.873) 9.672 3.948 ( 1.027 11.996 -3.903) 12.656 4.063 ( -6.871 14.986 4.071) 16.981 4.402 ( 4.064 5.194 2.801) 7.166 4.567 ( -6.241 16.863 7.070) 19.321 4.750 ( -1.200 20.219 -3.083) 20.488 4.786 ( -7.720 5.711 14.770) 17.617 5.311 ( 0.254 4.294 -2.916) 5.196 5.582 ( 5.585 -3.084 11.251) 12.934 5.648 ( 0.376 5.447 -4.841) 7.297 5.864 ( -8.507 -2.682 2.320) 9.217 6.019 ( 0.134 6.098 -5.801) 8.417 6.112 ( 0.580 6.172 1.199) 6.314 6.251 ( 4.199 0.603 -1.491) 4.497 6.397 ( -0.880 -3.646 -2.859) 4.716 6.473 ( 3.178 -0.244 1.150) 3.388 6.506 ( -1.179 6.915 -9.787) 12.042 6.740 ( 11.253 3.693 -9.497) 15.181 6.814 ( 2.187 5.531 -5.937) 8.404 7.121 ( -1.716 5.160 -1.759) 5.715 7.256 ( 2.302 7.623 1.792) 8.162 7.465 ( -0.477 -0.401 6.696) 6.725 7.739 ( 0.494 4.140 -2.000) 4.624 7.864 ( 2.951 5.782 -3.261) 7.265 8.278 ( -3.028 17.878 4.876) 18.776 8.476 ( -0.772 23.570 7.781) 24.833 8.848 ( -0.050 9.696 11.143) 14.771 8.997 ( 4.142 8.064 -5.515) 10.612 9.257 ( 0.638 21.987 -2.553) 22.144 9.471 ( -3.411 15.793 -4.247) 16.706 9.566 ( 0.594 15.654 -2.658) 15.889 9.741 ( -1.102 17.778 6.927) 19.111 9.898 ( -3.859 12.630 3.393) 13.635 10.007 ( 3.574 31.336 -8.275) 32.606 10.347 ( 0.173 24.882 -6.252) 25.656 10.570 ( -1.312 30.032 -4.022) 30.328 10.747 ( 1.293 11.147 -5.420) 12.462 10.898 ( -0.827 10.793 2.593) 11.131 11.244 ( -5.054 12.871 10.126) 17.139 11.534 ( -2.461 18.702 4.759) 19.454 11.813 ( 2.897 8.830 -1.573) 9.425 11.836 ( -5.568 10.502 15.292) 19.368 12.531 ( 1.834 1.942 -11.067) 11.385 13.114 ( -1.782 -9.677 -0.680) 9.863 13.251 ( 1.361 -10.836 1.123) 10.978 13.593 ( -1.228 -13.622 2.633) 13.929 13.667 ( -0.162 -17.590 0.917) 17.614 14.094 ( 0.233 -26.069 -3.264) 26.273 14.764 ( 3.697 -7.463 -2.884) 8.814 15.170 ( -1.272 -12.888 -0.594) 12.965 17.089 ( 1.119 36.201 0.199) 36.219 17.736 ( -9.302 23.344 10.432) 27.208 18.015 ( 2.354 17.843 -5.301) 18.762 18.403 ( -2.066 12.518 -16.412) 20.745 19.389 ( -0.458 13.970 -13.287) 19.285 19.991 ( 4.185 5.860 7.865) 10.663 21.234 ( 2.120 26.552 5.696) 27.239 21.450 ( 0.713 17.960 -2.240) 18.113 22.544 ( -20.663 5.939 7.491) 22.767 22.844 ( -10.381 3.303 13.613) 17.436 24.415 ( 7.469 0.191 -9.081) 11.760 24.679 ( 15.549 -10.246 -10.689) 21.471 25.928 ( 0.639 -9.567 0.322) 9.593 26.979 ( -2.332 -22.612 10.654) 25.105 ======================= Grid point 189 (91/140) ======================= q-point: ( 0.33 0.23 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 1.082 6.550 -2.316) 7.031 2.038 ( 2.452 7.940 -1.319) 8.414 2.236 ( 2.967 3.531 4.856) 6.698 2.591 ( -1.775 15.641 -14.008) 21.072 3.023 ( -1.602 0.801 6.080) 6.339 3.375 ( 2.552 10.155 6.365) 12.254 3.482 ( -2.537 5.249 -0.669) 5.868 3.498 ( -6.407 10.256 5.213) 13.168 3.701 ( -2.685 8.899 7.807) 12.138 3.937 ( 0.019 12.656 -1.007) 12.696 4.038 ( 6.875 11.162 -8.635) 15.698 4.409 ( -8.800 10.608 11.772) 18.126 4.544 ( 4.695 10.803 -0.438) 11.787 4.649 ( -5.614 14.613 -8.567) 17.845 4.773 ( -0.943 7.227 10.859) 13.078 5.299 ( -0.838 2.468 -3.543) 4.398 5.567 ( -5.333 4.461 -0.335) 6.961 5.723 ( 1.380 -2.308 11.503) 11.813 5.758 ( -0.810 -2.972 6.427) 7.127 6.007 ( 0.786 6.544 -5.853) 8.815 6.133 ( 3.185 5.088 -12.889) 14.218 6.269 ( -0.995 3.406 7.017) 7.863 6.397 ( -0.644 -3.802 2.590) 4.645 6.449 ( -0.799 -0.834 -4.628) 4.770 6.599 ( 6.330 7.451 -1.603) 9.908 6.787 ( -3.039 7.099 -5.584) 9.530 6.943 ( 11.462 -0.537 -9.903) 15.157 7.005 ( -4.107 6.026 -1.446) 7.434 7.359 ( 3.774 6.238 0.885) 7.344 7.492 ( 1.880 5.711 2.922) 6.685 7.746 ( 1.461 5.332 -2.501) 6.068 7.935 ( 3.948 8.859 4.426) 10.661 8.259 ( -1.336 16.713 6.147) 17.858 8.463 ( -2.827 26.315 1.825) 26.530 8.870 ( -3.088 10.904 14.389) 18.316 9.021 ( 0.769 10.470 -10.526) 14.867 9.281 ( 2.233 18.027 -0.544) 18.172 9.409 ( -0.408 13.648 -3.641) 14.131 9.521 ( -4.200 12.629 -0.909) 13.340 9.759 ( -1.223 17.338 10.088) 20.096 9.829 ( -3.228 16.491 -0.665) 16.817 10.026 ( 2.192 33.489 -9.113) 34.776 10.323 ( 0.831 27.461 -8.131) 28.652 10.527 ( -1.469 27.561 -1.717) 27.653 10.742 ( 0.687 9.991 -5.184) 11.277 10.918 ( 1.781 10.005 1.326) 10.248 11.210 ( -2.523 11.762 10.383) 15.891 11.503 ( -2.342 20.475 4.953) 21.196 11.771 ( -6.079 20.952 14.899) 26.418 11.871 ( 2.520 -2.483 -2.181) 4.156 12.530 ( 2.407 0.317 -9.907) 10.200 13.078 ( -1.227 -6.972 -1.151) 7.172 13.272 ( -0.054 -11.492 1.788) 11.630 13.584 ( -0.396 -14.717 1.495) 14.798 13.665 ( -0.510 -16.330 1.308) 16.391 14.082 ( -0.060 -24.835 -2.853) 24.998 14.839 ( 4.371 -9.235 -2.308) 10.475 15.133 ( -1.837 -12.934 -0.888) 13.094 17.070 ( -2.152 35.917 -4.642) 36.280 17.581 ( -9.208 31.025 10.796) 34.115 18.061 ( 2.726 15.480 -2.860) 15.976 18.344 ( 3.860 16.241 -14.166) 21.894 19.256 ( -4.750 11.791 -14.374) 19.189 20.188 ( 8.462 8.385 12.774) 17.467 21.329 ( 4.376 25.442 6.881) 26.717 21.482 ( 3.209 14.796 2.020) 15.274 22.093 ( -23.296 13.689 5.804) 27.637 22.811 ( -2.762 4.152 16.075) 16.831 24.476 ( 4.462 2.448 -14.008) 14.904 24.878 ( 7.053 -13.650 -8.610) 17.612 25.951 ( 1.627 -11.956 -0.777) 12.092 26.971 ( -2.394 -20.179 8.656) 22.088 ======================= Grid point 190 (92/140) ======================= q-point: (-0.50 0.23 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( -1.295 5.546 -3.516) 6.693 2.081 ( 1.767 9.020 0.769) 9.224 2.243 ( -4.540 1.553 1.253) 4.959 2.524 ( 0.905 12.612 -11.503) 17.094 3.035 ( -1.078 3.979 6.411) 7.622 3.338 ( -3.830 8.505 0.578) 9.346 3.378 ( -8.339 7.042 19.354) 22.219 3.537 ( 4.114 6.201 -1.476) 7.586 3.750 ( 5.534 14.857 8.608) 18.040 3.958 ( 2.672 10.173 -2.612) 10.838 4.222 ( -3.659 16.500 -2.563) 17.094 4.260 ( 9.562 4.235 -13.099) 16.762 4.514 ( -3.295 7.791 1.962) 8.683 4.633 ( 2.921 12.745 -0.335) 13.079 4.770 ( -2.837 7.321 1.331) 7.964 5.290 ( -0.079 4.378 7.468) 8.657 5.531 ( 3.095 1.734 -3.328) 4.864 5.721 ( -3.581 2.578 8.985) 10.010 5.827 ( 1.065 -0.826 10.180) 10.268 5.973 ( -2.941 1.129 -6.842) 7.532 6.087 ( -3.618 3.897 -4.386) 6.893 6.289 ( -2.290 9.681 4.879) 11.080 6.411 ( 0.816 -6.001 8.914) 10.777 6.431 ( 0.652 -3.537 -11.480) 12.030 6.561 ( -2.878 9.903 -2.830) 10.694 6.780 ( 3.664 6.970 -7.635) 10.968 6.974 ( 0.210 3.651 -2.963) 4.707 7.081 ( 6.043 -4.872 -8.521) 11.527 7.362 ( -2.494 6.930 1.431) 7.503 7.558 ( 1.876 10.834 1.004) 11.041 7.777 ( 1.593 7.419 -0.298) 7.594 8.010 ( 0.255 5.997 4.522) 7.515 8.282 ( 1.277 18.176 8.850) 20.256 8.414 ( -0.786 27.163 -1.245) 27.203 8.846 ( -6.067 10.672 16.919) 20.903 8.945 ( -2.892 17.047 -11.819) 20.944 9.287 ( -0.874 14.498 -2.015) 14.663 9.418 ( -1.280 15.911 -2.483) 16.155 9.472 ( 3.182 8.054 0.587) 8.680 9.746 ( -3.987 18.488 13.232) 23.082 9.808 ( 1.557 19.368 -4.694) 19.990 10.027 ( 1.723 32.944 -8.195) 33.992 10.320 ( 2.438 27.564 -9.938) 29.402 10.509 ( -0.213 27.640 1.356) 27.674 10.740 ( 1.688 8.480 -6.983) 11.114 10.963 ( 2.138 9.800 -0.223) 10.033 11.223 ( -0.604 10.747 9.798) 14.556 11.491 ( -0.735 19.442 4.718) 20.020 11.739 ( -2.902 22.549 14.474) 26.952 11.885 ( -0.286 -3.150 -1.885) 3.683 12.539 ( 2.412 0.110 -9.637) 9.935 13.065 ( 0.494 -5.657 -1.431) 5.856 13.261 ( -1.903 -11.868 2.775) 12.336 13.592 ( 0.637 -14.897 1.035) 14.946 13.659 ( -0.657 -16.524 1.239) 16.583 14.076 ( 0.662 -24.402 -2.726) 24.563 14.872 ( -1.065 -9.512 -1.379) 9.670 15.119 ( 1.491 -13.554 -1.646) 13.735 16.987 ( -3.503 38.614 -3.960) 38.974 17.534 ( 0.667 33.428 9.819) 34.847 18.070 ( 0.222 14.038 -4.290) 14.681 18.428 ( 8.677 15.903 -13.885) 22.825 19.120 ( -4.019 10.359 -9.609) 14.690 20.376 ( 5.718 9.358 9.476) 14.494 21.396 ( -0.925 20.295 4.327) 20.771 21.643 ( 11.250 14.572 3.423) 18.725 21.755 ( -11.953 18.729 7.831) 23.558 22.831 ( -1.802 3.158 15.576) 15.995 24.483 ( 2.255 3.533 -15.026) 15.600 24.885 ( -2.493 -12.159 -6.276) 13.909 25.966 ( -0.105 -13.323 -1.231) 13.380 26.960 ( -2.096 -18.825 7.934) 20.536 ======================= Grid point 191 (93/140) ======================= q-point: (-0.33 0.23 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( 3.058 5.930 -2.469) 7.114 2.085 ( -4.257 2.384 -2.215) 5.358 2.138 ( -3.159 17.239 5.911) 18.496 2.497 ( -0.230 11.701 -7.211) 13.746 3.005 ( -2.693 6.020 3.524) 7.477 3.261 ( -6.409 7.120 13.311) 16.400 3.379 ( 0.725 3.325 9.098) 9.714 3.612 ( 5.254 4.312 -4.737) 8.285 3.940 ( 5.984 9.174 -1.662) 11.078 3.990 ( -2.796 20.142 -5.536) 21.075 4.030 ( 2.754 6.873 -2.576) 7.839 4.427 ( 3.907 9.798 -3.255) 11.039 4.584 ( -0.675 4.392 10.955) 11.822 4.668 ( -0.540 10.956 1.382) 11.056 4.750 ( 11.521 11.820 -9.335) 18.963 5.312 ( -4.585 12.819 12.221) 18.295 5.607 ( -6.265 4.624 13.574) 15.649 5.671 ( 6.741 0.575 -2.021) 7.061 5.862 ( -3.045 1.502 0.870) 3.505 5.897 ( 3.196 3.371 -3.937) 6.089 6.033 ( -2.483 -4.074 -0.143) 4.773 6.158 ( -8.080 6.898 0.972) 10.668 6.380 ( -0.671 -6.353 -8.663) 10.764 6.458 ( -0.196 1.397 5.108) 5.299 6.611 ( 5.362 7.356 -4.541) 10.173 6.774 ( -0.517 5.249 -9.873) 11.193 6.968 ( 0.974 5.875 -4.557) 7.499 7.126 ( 2.211 -9.170 -6.511) 11.462 7.316 ( -3.081 7.615 3.786) 9.045 7.514 ( -5.652 11.171 -1.517) 12.611 7.781 ( -0.874 7.646 -1.132) 7.779 7.965 ( -5.224 5.483 2.811) 8.078 8.384 ( 3.502 15.930 10.989) 19.667 8.430 ( 1.632 23.954 -0.583) 24.017 8.778 ( -6.307 10.569 15.593) 19.865 8.865 ( -0.649 20.379 -7.975) 21.893 9.262 ( -1.098 15.436 -0.972) 15.506 9.407 ( 2.510 15.091 -4.016) 15.817 9.551 ( 3.259 13.860 -0.004) 14.238 9.747 ( -1.338 17.360 12.672) 21.535 9.820 ( 1.496 19.266 -3.976) 19.729 10.029 ( 1.404 29.132 -6.534) 29.889 10.328 ( 2.476 26.330 -10.201) 28.346 10.529 ( 1.372 29.218 2.543) 29.361 10.746 ( 2.162 8.624 -10.029) 13.402 10.984 ( -0.123 11.115 0.430) 11.124 11.260 ( 0.429 9.682 8.750) 13.057 11.513 ( 0.889 17.360 4.376) 17.925 11.771 ( -0.298 25.372 13.191) 28.597 11.851 ( -2.264 -3.882 0.103) 4.495 12.544 ( 2.352 1.287 -10.484) 10.821 13.085 ( 2.076 -7.029 -1.384) 7.459 13.230 ( -2.197 -11.710 2.957) 12.276 13.607 ( -0.126 -13.649 2.740) 13.922 13.655 ( 0.108 -18.338 0.100) 18.339 14.085 ( 1.371 -25.137 -3.125) 25.368 14.809 ( -3.630 -7.898 -1.712) 8.859 15.158 ( 2.243 -14.010 -1.374) 14.255 16.937 ( -0.478 39.702 0.341) 39.706 17.665 ( 7.615 30.087 8.760) 32.249 18.049 ( -0.524 14.533 -4.406) 15.195 18.510 ( 6.360 13.629 -20.086) 25.093 19.040 ( -0.833 9.984 -3.427) 10.589 20.457 ( -0.830 7.157 2.248) 7.548 21.334 ( -6.350 20.727 5.416) 22.344 21.579 ( -3.108 18.154 -7.645) 19.942 22.050 ( 21.836 12.500 14.227) 28.904 22.876 ( 0.848 0.740 13.925) 13.970 24.441 ( -0.753 3.902 -13.475) 14.048 24.750 ( -9.046 -10.307 -3.937) 14.267 25.937 ( -1.947 -11.598 -0.351) 11.765 26.956 ( -1.829 -19.663 9.033) 21.715 ======================= Grid point 192 (94/140) ======================= q-point: (-0.17 0.23 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( 4.428 4.765 -3.055) 7.187 1.925 ( -8.199 6.461 -1.996) 10.628 2.169 ( 1.282 26.561 6.589) 27.396 2.480 ( 1.741 11.960 -3.074) 12.470 3.004 ( 2.002 3.991 0.138) 4.468 3.200 ( -5.237 3.405 13.192) 14.596 3.445 ( 3.003 5.076 4.921) 7.681 3.696 ( 5.056 4.508 -7.294) 9.954 3.823 ( -4.016 7.091 -5.178) 9.655 4.010 ( -0.963 8.587 -1.866) 8.840 4.176 ( 5.838 20.756 -3.780) 21.890 4.460 ( -5.608 1.097 4.725) 7.415 4.549 ( 4.961 11.178 0.845) 12.258 4.654 ( -4.100 18.685 12.672) 22.946 5.001 ( 6.479 8.933 0.869) 11.070 5.209 ( -2.923 16.774 8.510) 19.035 5.579 ( -0.957 3.793 3.381) 5.170 5.710 ( -11.016 7.596 3.468) 13.823 5.865 ( 9.080 2.987 0.335) 9.565 5.957 ( -1.577 -7.408 3.588) 8.381 5.990 ( 5.989 0.886 -12.370) 13.772 6.144 ( 5.261 0.976 1.535) 5.567 6.331 ( -1.429 -7.115 -3.832) 8.206 6.450 ( -1.998 3.818 2.455) 4.959 6.621 ( -1.943 8.181 -6.537) 10.651 6.741 ( 2.777 -0.838 -11.734) 12.088 6.979 ( 2.451 11.660 -9.578) 15.287 7.064 ( -9.072 -2.974 -0.858) 9.585 7.286 ( -0.223 4.471 2.740) 5.248 7.417 ( -2.452 6.195 2.812) 7.232 7.764 ( 0.573 5.757 -1.857) 6.076 7.871 ( -4.348 3.879 -0.864) 5.890 8.408 ( -3.462 20.940 4.693) 21.736 8.464 ( -1.026 13.592 7.700) 15.655 8.769 ( -1.839 12.893 15.277) 20.075 8.859 ( 3.568 17.031 -7.215) 18.838 9.248 ( 0.349 19.877 -1.152) 19.914 9.461 ( 4.418 16.539 -5.754) 18.060 9.583 ( 0.140 16.372 -0.710) 16.388 9.768 ( -2.249 14.103 10.930) 17.984 9.857 ( 4.000 20.246 -2.144) 20.748 10.017 ( -0.505 24.934 -5.077) 25.451 10.338 ( 2.390 24.531 -7.893) 25.880 10.573 ( 2.031 31.841 0.508) 31.910 10.739 ( 1.657 10.719 -10.433) 15.049 10.965 ( -2.159 11.328 1.908) 11.688 11.303 ( 0.023 10.791 8.204) 13.556 11.544 ( -0.042 14.368 4.455) 15.043 11.776 ( -1.273 12.784 -0.808) 12.873 11.851 ( -1.215 10.213 14.619) 17.874 12.547 ( 2.513 2.793 -11.644) 12.235 13.125 ( 2.044 -9.488 -0.934) 9.751 13.209 ( -0.891 -11.103 2.343) 11.382 13.609 ( -0.947 -13.169 3.857) 13.754 13.661 ( 0.437 -19.046 -0.311) 19.054 14.096 ( 1.051 -26.333 -3.476) 26.582 14.746 ( -1.586 -6.621 -2.611) 7.292 15.183 ( 0.808 -13.482 -0.792) 13.530 16.966 ( 2.228 38.654 3.609) 38.886 17.829 ( 3.264 24.961 9.435) 26.883 18.019 ( 0.111 15.169 -5.831) 16.252 18.526 ( 4.555 11.317 -22.496) 25.591 19.083 ( 6.379 11.455 0.716) 13.131 20.343 ( -9.894 4.869 -5.205) 12.194 21.242 ( -4.368 24.462 3.953) 25.161 21.509 ( -1.537 18.259 -6.636) 19.488 22.501 ( 13.946 6.967 12.237) 19.818 23.028 ( 11.606 -6.073 5.575) 14.236 24.317 ( -9.382 0.844 -3.108) 9.919 24.554 ( -5.346 -3.025 -8.123) 10.184 25.912 ( -0.510 -9.194 0.852) 9.248 26.962 ( -1.754 -22.004 11.055) 24.687 ======================= Grid point 193 (95/140) ======================= q-point: ( 0.00 0.31 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( 0.433 2.558 -0.124) 2.597 1.940 ( 0.402 2.246 -2.218) 3.182 2.620 ( -2.381 18.360 -7.891) 20.125 2.939 ( 6.205 12.874 -2.677) 14.540 3.039 ( -0.152 4.596 2.183) 5.090 3.393 ( 0.231 9.836 8.327) 12.889 3.686 ( 4.649 7.130 5.747) 10.270 3.768 ( -0.561 6.291 -5.163) 8.158 3.880 ( -1.107 3.925 -0.268) 4.086 4.228 ( -0.350 13.956 2.677) 14.215 4.394 ( -1.716 2.126 0.279) 2.746 4.506 ( -6.571 13.991 4.865) 16.205 4.747 ( 0.887 5.781 9.555) 11.203 4.990 ( -3.967 6.982 2.257) 8.342 5.317 ( -12.092 13.093 8.166) 19.604 5.344 ( 9.044 3.048 12.232) 15.514 5.524 ( -10.309 3.596 -2.451) 11.190 5.640 ( -3.678 -7.160 4.753) 9.348 5.963 ( 6.190 7.336 -8.417) 12.766 6.029 ( 4.404 -1.980 -6.981) 8.489 6.133 ( 6.383 -4.993 -0.684) 8.133 6.177 ( 2.337 3.616 1.175) 4.463 6.312 ( 4.918 0.610 -7.645) 9.111 6.494 ( 0.865 4.771 1.654) 5.123 6.638 ( 0.176 -5.341 -10.874) 12.117 6.657 ( -1.354 2.726 -8.183) 8.731 7.018 ( -4.552 9.193 4.289) 11.119 7.268 ( 4.912 10.935 -6.235) 13.512 7.395 ( -0.484 4.276 2.694) 5.077 7.464 ( -1.721 5.100 1.861) 5.695 7.817 ( 1.103 1.311 -10.591) 10.729 7.895 ( -0.255 4.244 1.085) 4.388 8.648 ( -4.684 11.766 4.270) 13.364 8.745 ( 3.472 9.189 2.477) 10.131 9.025 ( -2.439 9.401 17.992) 20.446 9.227 ( -0.340 19.154 0.609) 19.166 9.689 ( 2.591 3.028 -3.393) 5.234 9.707 ( -0.469 20.030 -0.209) 20.036 9.802 ( -1.227 9.338 2.075) 9.645 10.043 ( -1.584 12.155 9.260) 15.362 10.172 ( 1.139 11.028 -11.223) 15.776 10.489 ( 1.924 12.397 -6.980) 14.356 10.704 ( 1.706 16.227 -7.260) 17.858 10.929 ( -0.940 3.710 -0.986) 3.952 11.099 ( -0.241 16.535 -0.822) 16.557 11.425 ( 0.315 38.239 0.023) 38.240 11.626 ( -3.278 4.064 3.270) 6.161 11.747 ( 2.708 8.368 -3.087) 9.322 11.975 ( -1.530 11.187 6.625) 13.092 12.390 ( -1.355 32.047 8.795) 33.259 12.710 ( 0.039 2.324 -6.532) 6.933 13.102 ( 0.385 12.675 1.981) 12.835 13.191 ( 0.278 11.015 -3.096) 11.445 13.298 ( -0.471 -11.314 1.193) 11.386 13.345 ( 0.461 -8.467 1.582) 8.625 13.753 ( 0.672 -6.759 -3.134) 7.481 14.653 ( 0.480 -1.525 -1.954) 2.525 14.963 ( 0.428 -8.943 -1.418) 9.065 17.692 ( 2.195 26.805 2.684) 27.028 18.181 ( -4.257 12.773 4.899) 14.328 18.282 ( 1.241 10.073 -3.542) 10.749 18.610 ( -0.746 2.423 -9.562) 9.892 19.491 ( 10.882 7.857 -0.866) 13.450 20.112 ( -10.158 -1.428 -2.969) 10.679 21.665 ( -0.078 18.063 2.687) 18.262 21.834 ( -0.597 17.126 -5.014) 17.854 22.739 ( -2.272 1.551 8.788) 9.209 22.932 ( -0.907 -11.349 2.916) 11.752 24.195 ( 2.196 -1.959 2.820) 4.076 24.513 ( 2.253 -0.873 -9.590) 9.890 25.749 ( 0.287 -7.373 0.469) 7.393 26.515 ( -1.176 -21.313 6.342) 22.267 ======================= Grid point 194 (96/140) ======================= q-point: ( 0.17 0.31 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( -0.485 4.898 -1.152) 5.055 1.973 ( 3.076 -0.866 -1.020) 3.355 2.546 ( -2.147 18.736 -4.061) 19.291 2.987 ( 0.644 8.717 -6.312) 10.781 3.036 ( -1.692 6.242 2.581) 6.963 3.459 ( 3.473 5.903 4.307) 8.090 3.674 ( -6.959 3.456 1.121) 7.851 3.745 ( -1.851 9.339 -1.233) 9.600 3.864 ( 1.017 9.614 5.224) 10.989 4.205 ( -0.079 13.658 -2.415) 13.870 4.369 ( -8.409 14.705 8.593) 18.994 4.504 ( 8.761 4.692 1.515) 10.053 4.813 ( 0.651 8.992 4.012) 9.868 4.859 ( -10.078 4.077 13.549) 17.371 5.104 ( -9.726 10.580 -0.896) 14.399 5.389 ( -2.867 -0.196 -2.442) 3.771 5.566 ( 7.111 4.680 8.624) 12.118 5.607 ( -1.355 -8.083 6.193) 10.273 5.839 ( -11.505 1.251 -2.228) 11.785 6.111 ( 0.488 0.434 -6.073) 6.108 6.145 ( 3.546 0.528 -9.937) 10.564 6.263 ( 0.194 -0.723 2.207) 2.331 6.341 ( 2.583 0.642 -3.593) 4.472 6.514 ( 0.226 4.641 1.154) 4.787 6.634 ( 4.470 2.173 -12.673) 13.612 6.721 ( 9.259 -2.822 -4.407) 10.635 6.980 ( -1.285 9.490 3.348) 10.145 7.299 ( -3.665 9.876 -7.484) 12.922 7.360 ( 2.814 3.313 1.591) 4.629 7.532 ( 5.525 7.239 3.259) 9.672 7.807 ( 2.840 3.401 -6.920) 8.217 7.963 ( 5.022 3.435 0.117) 6.085 8.589 ( -3.126 12.704 5.092) 14.039 8.830 ( 3.783 9.850 1.249) 10.625 9.050 ( -2.768 8.582 18.746) 20.802 9.234 ( 1.243 18.306 -0.827) 18.367 9.662 ( -2.554 11.316 1.809) 11.741 9.724 ( -0.204 14.810 -3.599) 15.242 9.759 ( -2.664 6.492 0.998) 7.088 10.050 ( -1.855 12.219 9.887) 15.827 10.145 ( 1.420 11.519 -13.045) 17.461 10.497 ( 1.772 10.791 -7.367) 13.186 10.711 ( 1.996 16.541 -7.203) 18.151 10.908 ( -0.831 3.085 0.083) 3.196 11.098 ( 0.420 18.045 -0.378) 18.054 11.385 ( -3.423 35.951 -0.613) 36.119 11.595 ( -1.491 8.739 3.766) 9.632 11.790 ( 2.387 6.546 -2.593) 7.434 11.962 ( -2.501 12.858 6.519) 14.631 12.389 ( -2.473 32.385 9.033) 33.712 12.671 ( -0.849 3.451 -6.897) 7.759 13.119 ( 0.290 14.187 2.335) 14.381 13.186 ( 0.758 5.896 -3.399) 6.847 13.279 ( -1.697 -10.209 1.194) 10.418 13.365 ( 0.743 -7.823 1.008) 7.923 13.753 ( 0.477 -7.002 -2.734) 7.532 14.673 ( 2.395 -2.108 -2.041) 3.788 14.955 ( -0.729 -8.341 -1.687) 8.541 17.726 ( 0.312 26.092 -0.041) 26.094 18.124 ( -4.104 14.982 7.291) 17.159 18.289 ( 1.307 9.995 -3.086) 10.542 18.555 ( -0.779 3.766 -7.833) 8.726 19.584 ( -0.959 6.263 -13.182) 14.625 20.046 ( 4.332 0.034 9.661) 10.588 21.695 ( 1.778 17.947 3.547) 18.381 21.811 ( -0.039 17.026 -3.103) 17.307 22.614 ( -14.250 0.174 5.216) 15.176 22.869 ( -3.757 -1.177 7.232) 8.234 24.353 ( 10.128 -6.059 -0.172) 11.803 24.543 ( 5.096 -3.541 -10.125) 11.876 25.743 ( -0.925 -7.974 0.110) 8.029 26.530 ( -0.088 -21.229 5.913) 22.037 ======================= Grid point 195 (97/140) ======================= q-point: ( 0.33 0.31 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( -1.045 4.392 -2.341) 5.085 2.027 ( 2.320 -3.920 -0.169) 4.559 2.517 ( 0.211 17.502 -0.694) 17.517 2.889 ( -5.435 12.772 -8.946) 16.514 3.059 ( 2.397 2.996 4.750) 6.106 3.485 ( -8.498 -0.462 1.856) 8.711 3.543 ( 0.281 6.500 4.228) 7.759 3.737 ( -0.627 9.916 4.856) 11.059 3.914 ( 1.187 11.011 5.888) 12.543 4.232 ( -2.747 15.692 5.169) 16.748 4.260 ( 3.222 10.681 -6.840) 13.086 4.594 ( -4.761 8.281 8.719) 12.932 4.777 ( 2.492 10.763 -2.336) 11.292 4.838 ( -3.466 5.402 6.125) 8.872 4.957 ( -2.739 9.235 -3.468) 10.238 5.319 ( -2.463 -0.971 -5.247) 5.877 5.602 ( -6.360 -3.083 3.386) 7.838 5.666 ( 2.105 -1.809 6.721) 7.271 5.703 ( 1.532 -0.342 6.916) 7.092 6.010 ( -3.690 -3.473 -9.557) 10.818 6.204 ( 2.466 -0.117 -3.629) 4.389 6.241 ( -4.646 -3.616 9.698) 11.345 6.384 ( 6.273 1.420 -14.328) 15.705 6.495 ( -3.020 7.527 6.999) 10.713 6.743 ( 8.932 1.165 -9.735) 13.263 6.823 ( 0.873 -3.461 -5.651) 6.684 6.967 ( -0.746 7.785 1.664) 7.995 7.199 ( -1.502 10.538 -6.991) 12.735 7.428 ( 2.509 1.815 0.647) 3.163 7.679 ( 7.319 10.746 1.277) 13.065 7.852 ( 3.974 4.727 -5.025) 7.962 8.064 ( 3.878 4.434 4.293) 7.289 8.570 ( -1.383 13.145 7.148) 15.027 8.873 ( 0.169 11.697 -1.633) 11.812 9.058 ( -4.043 7.410 16.938) 18.925 9.267 ( 1.831 17.620 0.305) 17.718 9.618 ( -2.245 10.694 1.611) 11.045 9.687 ( -2.155 9.140 1.390) 9.493 9.704 ( -2.897 14.851 -2.808) 15.390 10.044 ( -2.840 11.169 10.889) 15.855 10.136 ( 3.876 12.312 -16.446) 20.906 10.497 ( 1.449 10.426 -7.871) 13.143 10.722 ( 1.767 15.387 -5.830) 16.549 10.900 ( 0.097 3.947 -0.428) 3.971 11.110 ( 0.752 19.479 -0.217) 19.494 11.324 ( -2.109 35.635 -0.380) 35.699 11.592 ( -0.536 10.587 4.608) 11.559 11.805 ( 0.182 7.045 -2.635) 7.524 11.937 ( -2.556 13.138 6.861) 15.040 12.372 ( -2.567 32.261 7.821) 33.295 12.640 ( 0.896 4.937 -7.029) 8.636 13.131 ( -0.182 14.225 2.819) 14.503 13.191 ( 0.871 7.284 -3.123) 7.973 13.252 ( -1.075 -13.080 0.171) 13.125 13.374 ( -0.321 -8.206 0.977) 8.270 13.749 ( 0.202 -7.309 -1.943) 7.566 14.724 ( 3.332 -2.903 -2.122) 4.903 14.922 ( -1.673 -7.892 -2.073) 8.329 17.702 ( -1.672 25.947 -3.213) 26.198 18.080 ( -3.610 18.909 9.483) 21.460 18.304 ( 0.773 9.134 -2.210) 9.429 18.546 ( 3.286 5.107 -5.995) 8.533 19.445 ( -4.643 7.452 -15.980) 18.233 20.245 ( 8.243 -1.738 13.290) 15.735 21.752 ( 1.525 15.872 3.066) 16.237 21.822 ( 2.937 17.181 1.093) 17.465 22.318 ( -15.292 7.777 2.033) 17.276 22.854 ( -1.906 -0.467 8.897) 9.111 24.485 ( 4.078 -2.898 -4.375) 6.646 24.627 ( 6.068 -9.950 -8.006) 14.139 25.725 ( -0.699 -9.359 -0.252) 9.388 26.551 ( -0.210 -20.630 5.124) 21.257 ======================= Grid point 196 (98/140) ======================= q-point: (-0.50 0.31 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( -1.195 4.164 -2.591) 5.048 2.052 ( -0.024 -5.193 0.078) 5.194 2.539 ( 1.802 19.215 1.655) 19.370 2.764 ( -3.064 10.843 -8.717) 14.246 3.134 ( 1.204 6.004 4.467) 7.580 3.366 ( -2.433 -1.325 6.023) 6.630 3.560 ( -0.990 6.358 2.028) 6.747 3.706 ( -5.441 10.444 11.077) 16.168 3.991 ( 4.980 8.228 3.533) 10.246 4.162 ( -1.699 10.118 -1.468) 10.364 4.356 ( -1.789 7.441 2.976) 8.211 4.575 ( 8.283 15.773 -4.428) 18.357 4.669 ( -7.395 6.245 -2.181) 9.922 4.857 ( 1.421 9.099 -1.050) 9.269 4.954 ( 1.770 10.570 -3.583) 11.300 5.330 ( 3.784 -0.368 4.860) 6.170 5.539 ( 1.931 0.013 -2.368) 3.056 5.717 ( -2.743 -2.472 8.023) 8.832 5.795 ( 5.801 -2.347 6.470) 9.001 5.932 ( -0.324 -3.631 -8.210) 8.983 6.100 ( -11.292 -1.001 5.072) 12.419 6.239 ( -0.779 -6.324 2.952) 7.022 6.449 ( 3.881 1.547 -6.170) 7.452 6.492 ( 0.161 8.178 0.919) 8.231 6.721 ( -5.095 1.334 -7.312) 9.011 6.848 ( 4.980 0.908 -7.397) 8.963 6.972 ( 0.538 3.840 -1.168) 4.050 7.180 ( 1.258 9.468 -6.436) 11.517 7.449 ( -0.305 2.499 -0.022) 2.518 7.765 ( 0.201 7.999 1.032) 8.068 7.909 ( 2.232 5.915 -2.068) 6.652 8.126 ( 0.175 5.227 4.184) 6.698 8.592 ( 0.207 12.750 9.152) 15.696 8.838 ( -1.934 13.076 -2.133) 13.389 9.030 ( -5.019 7.883 13.580) 16.485 9.290 ( -0.696 18.467 3.989) 18.905 9.572 ( -2.635 8.168 -5.022) 9.944 9.642 ( 1.123 9.110 1.300) 9.271 9.701 ( 0.525 18.358 2.929) 18.598 10.039 ( -2.140 10.929 10.255) 15.138 10.153 ( 4.682 12.238 -17.297) 21.700 10.492 ( 1.366 11.563 -7.779) 14.002 10.728 ( 1.002 13.786 -4.734) 14.611 10.908 ( 1.245 5.901 -1.918) 6.329 11.120 ( 0.434 18.957 -0.433) 18.967 11.305 ( 0.138 36.203 0.134) 36.204 11.613 ( 0.558 10.005 5.074) 11.232 11.785 ( -0.705 8.659 -3.040) 9.204 11.926 ( -1.418 11.309 7.274) 13.521 12.357 ( -1.864 31.849 6.449) 32.549 12.651 ( 2.958 5.511 -6.929) 9.334 13.135 ( -0.665 14.097 3.183) 14.468 13.183 ( -0.565 11.886 -2.075) 12.079 13.251 ( 1.143 -16.436 -1.324) 16.529 13.362 ( -1.295 -9.423 1.405) 9.615 13.747 ( 0.373 -7.334 -1.584) 7.512 14.757 ( 0.012 -2.561 -1.888) 3.181 14.895 ( 0.665 -8.572 -2.407) 8.928 17.651 ( -1.819 26.926 -3.027) 27.157 18.080 ( -0.102 20.681 10.061) 22.999 18.298 ( 0.057 8.722 -3.313) 9.330 18.615 ( 4.986 4.117 -5.408) 8.429 19.309 ( -2.925 8.858 -13.195) 16.160 20.418 ( 3.816 -3.700 10.569) 11.830 21.755 ( -1.628 15.261 2.004) 15.477 21.964 ( 9.738 14.458 3.221) 17.727 22.081 ( -8.651 12.815 0.693) 15.477 22.853 ( -2.078 -1.483 9.033) 9.387 24.505 ( 0.252 -2.402 -5.060) 5.607 24.660 ( 0.100 -9.337 -6.884) 11.601 25.715 ( -0.170 -10.250 -0.332) 10.256 26.558 ( -1.131 -20.155 4.780) 20.745 ======================= Grid point 197 (99/140) ======================= q-point: (-0.33 0.31 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( 1.733 3.915 -1.270) 4.466 2.024 ( -2.477 -3.653 -0.144) 4.416 2.617 ( 5.536 23.526 3.261) 24.388 2.705 ( 0.527 8.816 -9.143) 12.713 3.108 ( -3.605 3.841 2.294) 5.746 3.425 ( 0.830 3.747 12.293) 12.879 3.508 ( -3.868 11.349 4.225) 12.712 3.686 ( 1.254 5.066 3.050) 6.045 4.018 ( -4.477 0.717 -5.206) 6.904 4.157 ( 2.219 8.740 -2.216) 9.286 4.380 ( 7.412 13.752 3.562) 16.023 4.567 ( -4.178 4.926 5.008) 8.173 4.728 ( 1.852 7.428 0.665) 7.684 4.898 ( 4.174 11.874 2.464) 12.825 5.008 ( 7.553 12.659 -7.244) 16.425 5.467 ( 7.469 3.280 6.870) 10.665 5.650 ( 8.357 -1.814 -2.033) 8.790 5.671 ( -6.378 0.342 12.021) 13.612 5.853 ( -5.814 1.839 -2.445) 6.570 5.889 ( -3.220 -6.669 -5.262) 9.084 5.979 ( 6.789 1.357 2.393) 7.325 6.190 ( -4.968 -4.872 -2.302) 7.329 6.391 ( -9.342 6.605 2.798) 11.778 6.503 ( 2.234 1.357 -1.466) 2.996 6.663 ( 1.549 -2.360 -9.594) 10.001 6.864 ( -0.133 2.950 -8.914) 9.390 7.001 ( 2.854 4.320 1.461) 5.380 7.183 ( 1.819 9.192 -5.973) 11.112 7.427 ( -1.726 3.556 0.616) 4.000 7.694 ( -6.951 6.717 -0.314) 9.672 7.893 ( -2.390 4.070 -3.926) 6.139 8.093 ( -4.835 6.143 3.063) 8.397 8.640 ( 0.551 10.710 8.679) 13.796 8.795 ( -2.184 11.439 -1.389) 11.728 8.995 ( -3.748 9.932 14.345) 17.846 9.270 ( -2.779 19.989 4.963) 20.782 9.556 ( 2.985 7.990 -4.253) 9.531 9.690 ( 2.299 13.780 0.280) 13.973 9.735 ( 1.869 13.091 2.626) 13.482 10.039 ( -2.262 11.194 10.825) 15.736 10.174 ( 4.474 11.845 -16.706) 20.962 10.487 ( 1.314 12.751 -7.609) 14.907 10.720 ( 0.119 13.763 -4.303) 14.421 10.930 ( 1.864 6.764 -3.295) 7.752 11.122 ( -0.141 15.917 -0.669) 15.931 11.327 ( 2.023 37.009 0.078) 37.065 11.646 ( 0.568 8.721 4.836) 9.988 11.760 ( -0.676 9.690 -3.116) 10.201 11.941 ( -0.195 9.276 7.215) 11.754 12.355 ( -0.903 31.456 6.340) 32.101 12.688 ( 3.374 4.896 -6.801) 9.033 13.122 ( -1.805 13.901 1.915) 14.148 13.173 ( 0.682 14.141 -1.093) 14.200 13.273 ( 1.313 -16.085 -1.020) 16.171 13.344 ( -1.052 -9.870 1.957) 10.117 13.750 ( 0.607 -7.308 -2.012) 7.605 14.716 ( -2.451 -1.771 -1.893) 3.568 14.923 ( 2.273 -9.209 -2.018) 9.698 17.622 ( -0.261 27.756 -0.435) 27.761 18.152 ( 2.964 18.044 8.774) 20.282 18.283 ( -0.308 8.820 -3.188) 9.384 18.664 ( 2.664 2.972 -8.550) 9.436 19.241 ( 0.928 10.200 -8.203) 13.122 20.458 ( -3.254 -5.180 4.984) 7.890 21.717 ( -2.987 15.974 2.842) 16.498 21.940 ( -2.985 16.307 -7.356) 18.137 22.266 ( 16.370 7.605 8.609) 19.999 22.848 ( -2.012 -3.517 8.844) 9.728 24.444 ( -5.698 -4.369 -1.535) 7.342 24.596 ( -2.440 -4.457 -8.126) 9.584 25.715 ( 0.343 -9.269 0.026) 9.275 26.547 ( -2.072 -20.207 5.146) 20.955 ======================= Grid point 198 (100/140) ======================= q-point: (-0.17 0.31 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( 2.207 2.448 -0.422) 3.323 1.971 ( -2.325 0.134 -1.213) 2.626 2.678 ( 0.324 14.507 -9.510) 17.349 2.781 ( 9.031 20.224 1.424) 22.195 3.054 ( -2.300 1.996 1.692) 3.484 3.395 ( -4.914 13.479 12.285) 18.888 3.563 ( 4.376 6.337 6.543) 10.105 3.752 ( 4.450 2.595 -4.444) 6.804 3.906 ( -3.029 2.448 -3.051) 4.947 4.199 ( 2.186 9.670 -0.492) 9.926 4.485 ( -4.857 2.187 5.882) 7.935 4.537 ( 2.148 12.730 -1.292) 12.975 4.732 ( -0.496 9.117 4.515) 10.186 4.977 ( 2.668 11.737 4.149) 12.732 5.156 ( 5.759 6.074 7.862) 11.484 5.503 ( -11.489 10.150 10.877) 18.797 5.665 ( 3.367 2.764 2.571) 5.058 5.701 ( -1.320 -1.942 1.551) 2.815 5.832 ( 3.021 -3.936 -8.579) 9.911 5.916 ( 8.617 0.450 -2.378) 8.951 6.030 ( -2.240 -0.154 -4.899) 5.389 6.166 ( 8.532 0.923 -2.327) 8.891 6.248 ( -5.202 1.045 0.394) 5.320 6.514 ( -1.147 2.217 0.003) 2.496 6.655 ( 2.076 -5.010 -11.189) 12.434 6.775 ( -4.977 4.618 -8.088) 10.560 7.061 ( 0.181 5.361 4.695) 7.129 7.209 ( 3.454 9.514 -5.496) 11.517 7.391 ( -2.288 5.258 2.134) 6.118 7.551 ( -5.814 6.303 -1.899) 8.782 7.825 ( -0.458 2.230 -8.044) 8.360 7.985 ( -6.819 5.344 2.267) 8.956 8.681 ( 0.431 9.621 7.732) 12.350 8.732 ( -3.577 10.418 -0.933) 11.055 9.001 ( -2.350 9.931 16.247) 19.186 9.240 ( -1.762 20.024 3.062) 20.334 9.622 ( 4.795 7.456 -4.119) 9.775 9.718 ( 0.009 17.080 1.802) 17.175 9.784 ( 2.037 9.278 0.794) 9.533 10.039 ( -2.140 11.466 10.493) 15.689 10.185 ( 2.794 11.294 -13.608) 17.903 10.484 ( 1.524 13.231 -7.299) 15.188 10.706 ( 0.668 14.999 -5.532) 16.001 10.943 ( 0.513 5.370 -2.813) 6.084 11.111 ( -0.511 15.128 -0.904) 15.163 11.381 ( 3.219 37.516 0.061) 37.654 11.665 ( -1.252 4.708 4.944) 6.941 11.732 ( -0.119 10.855 -4.170) 11.629 11.966 ( -0.425 9.476 6.930) 11.748 12.372 ( -0.404 31.503 7.510) 32.388 12.716 ( 2.064 3.280 -6.548) 7.609 13.099 ( -0.930 12.458 1.608) 12.595 13.189 ( 1.110 15.843 -2.106) 16.021 13.289 ( 0.613 -15.241 0.522) 15.262 13.339 ( -0.363 -9.050 1.906) 9.256 13.753 ( 0.622 -7.063 -2.771) 7.613 14.669 ( -1.326 -1.369 -1.938) 2.718 14.952 ( 1.372 -9.293 -1.515) 9.515 17.640 ( 1.650 27.550 2.087) 27.678 18.225 ( -0.897 14.062 7.682) 16.048 18.264 ( 1.005 9.263 -4.408) 10.308 18.653 ( 0.643 2.523 -10.892) 11.199 19.300 ( 7.562 10.236 -2.344) 12.940 20.334 ( -9.776 -4.402 -1.211) 10.789 21.676 ( -2.026 17.227 2.567) 17.535 21.874 ( -1.177 16.975 -6.550) 18.233 22.619 ( 13.350 3.342 6.876) 15.384 22.863 ( 1.282 -9.514 6.982) 11.871 24.280 ( -9.660 -3.204 2.396) 10.456 24.532 ( -0.283 -0.898 -9.296) 9.344 25.731 ( 1.059 -7.819 0.481) 7.905 26.525 ( -2.238 -20.756 5.910) 21.697 ======================= Grid point 199 (101/140) ======================= q-point: ( 0.00 0.38 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( 1.109 3.912 0.509) 4.098 1.957 ( -0.014 -0.541 -0.535) 0.761 2.889 ( 1.357 8.312 -7.726) 11.429 2.978 ( 0.038 0.032 -1.965) 1.965 3.291 ( 2.694 10.957 -1.771) 11.421 3.533 ( -2.536 3.219 2.758) 4.940 3.754 ( 1.472 3.208 4.800) 5.958 3.917 ( -1.435 1.363 -0.367) 2.013 4.026 ( 5.609 12.795 0.176) 13.972 4.406 ( 2.633 -0.309 -1.341) 2.970 4.549 ( -0.497 16.502 4.470) 17.104 4.723 ( -0.050 6.527 2.680) 7.056 4.860 ( -7.235 5.588 18.445) 20.586 5.119 ( -7.383 6.239 10.039) 13.936 5.285 ( -3.875 -1.932 10.775) 11.613 5.497 ( -8.839 -5.066 5.062) 11.376 5.581 ( 3.942 7.307 1.596) 8.455 5.615 ( -8.343 4.745 -2.748) 9.983 5.937 ( 0.428 -4.733 -4.480) 6.531 6.010 ( 5.502 -5.593 0.377) 7.855 6.169 ( 13.389 7.932 -13.785) 20.790 6.221 ( 2.484 1.184 -4.592) 5.353 6.312 ( 3.431 -1.232 -8.409) 9.165 6.535 ( -0.720 -3.439 -9.917) 10.521 6.574 ( 3.606 2.333 -1.391) 4.515 6.713 ( -4.183 2.193 -1.744) 5.035 7.199 ( -3.765 8.277 7.099) 11.536 7.412 ( -2.793 2.363 4.173) 5.549 7.490 ( 3.903 6.790 0.068) 7.832 7.610 ( 1.790 7.050 -4.487) 8.547 7.860 ( 2.133 2.598 -10.920) 11.426 7.945 ( -1.840 0.803 -0.068) 2.009 8.841 ( -2.567 7.339 1.485) 7.915 8.894 ( 2.715 5.819 1.405) 6.573 9.211 ( -2.685 10.158 15.787) 18.963 9.618 ( -0.174 17.292 0.807) 17.312 9.733 ( 1.534 2.107 -0.833) 2.736 9.910 ( -1.254 0.304 4.747) 4.919 10.040 ( -0.419 11.930 -2.707) 12.240 10.174 ( -0.590 2.287 1.811) 2.976 10.406 ( 0.611 11.529 -8.214) 14.169 10.617 ( 2.354 5.455 -7.408) 9.496 10.923 ( 0.714 4.489 -0.449) 4.567 11.043 ( -2.289 6.704 3.430) 7.870 11.404 ( -1.219 11.270 2.143) 11.537 11.543 ( -2.238 -6.622 3.994) 8.051 11.739 ( -0.294 -7.431 -1.405) 7.568 11.875 ( 3.683 1.260 -4.929) 6.281 12.303 ( -1.275 20.156 2.240) 20.321 12.686 ( 2.283 7.881 -9.382) 12.464 12.792 ( 0.263 -11.633 0.542) 11.649 13.084 ( 0.269 -6.555 0.496) 6.579 13.275 ( -1.469 26.622 4.399) 27.023 13.575 ( -2.203 17.603 9.545) 20.145 13.812 ( 1.484 30.414 -3.737) 30.679 13.900 ( 0.739 20.994 -5.319) 21.670 14.660 ( -0.288 2.008 -0.662) 2.133 14.820 ( 1.240 -5.183 -2.028) 5.702 18.129 ( 1.585 16.613 1.264) 16.736 18.367 ( -1.494 6.072 0.591) 6.281 18.438 ( 0.179 5.497 -0.026) 5.500 18.622 ( -1.007 -0.973 -4.841) 5.039 19.628 ( 6.669 6.285 -0.616) 9.185 20.043 ( -6.929 -5.192 -0.444) 8.669 21.945 ( -0.326 10.487 4.568) 11.443 22.148 ( -0.152 13.702 -5.956) 14.941 22.619 ( -3.361 -12.892 7.599) 15.338 22.765 ( 3.092 -5.243 1.807) 6.349 24.176 ( 0.418 0.657 0.230) 0.812 24.459 ( 0.623 -4.476 -4.013) 6.043 25.645 ( 0.297 -2.413 -0.206) 2.440 26.121 ( -0.485 -17.255 2.160) 17.396 ======================= Grid point 200 (102/140) ======================= q-point: ( 0.17 0.38 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 0.055 3.926 -0.646) 3.979 1.952 ( -0.257 -1.424 -0.233) 1.466 2.844 ( -1.468 9.882 -6.253) 11.786 3.018 ( 3.952 1.078 -2.253) 4.675 3.265 ( -4.580 9.693 -2.076) 10.920 3.516 ( -0.890 0.353 1.906) 2.133 3.754 ( -3.847 4.585 2.964) 6.679 3.875 ( -1.646 3.302 2.618) 4.524 4.103 ( 2.799 12.706 0.002) 13.011 4.465 ( 1.732 7.834 -3.807) 8.881 4.602 ( 2.247 8.202 1.304) 8.604 4.641 ( -3.722 11.227 12.309) 17.071 4.871 ( -3.293 -0.014 17.322) 17.633 5.024 ( -4.879 7.563 4.889) 10.243 5.212 ( -5.295 1.962 0.810) 5.704 5.357 ( -5.358 -1.935 6.581) 8.705 5.494 ( -3.549 -0.108 3.626) 5.075 5.667 ( 1.592 3.214 -0.347) 3.604 5.836 ( -8.051 -1.893 -3.385) 8.936 6.055 ( -1.515 -4.020 -4.114) 5.948 6.167 ( -0.955 1.362 -3.336) 3.728 6.296 ( -4.947 -1.231 2.818) 5.825 6.335 ( 7.287 2.778 -17.469) 19.130 6.537 ( 8.748 -4.256 -14.122) 17.149 6.677 ( -1.409 4.579 5.363) 7.191 6.692 ( 7.680 -0.598 -3.612) 8.508 7.159 ( -3.027 7.548 6.107) 10.170 7.355 ( -3.344 -0.511 2.899) 4.455 7.541 ( 1.651 10.854 -6.370) 12.693 7.706 ( 8.570 8.392 0.367) 12.000 7.873 ( 3.819 2.618 -7.987) 9.232 7.993 ( 4.998 -0.511 1.190) 5.163 8.809 ( -1.429 8.945 2.039) 9.285 8.961 ( 3.364 4.136 -0.159) 5.334 9.222 ( -2.896 9.663 15.966) 18.886 9.624 ( 0.560 16.985 0.042) 16.994 9.751 ( 0.402 1.788 0.471) 1.893 9.885 ( -2.716 3.735 2.789) 5.395 10.026 ( -0.190 12.144 -0.636) 12.162 10.171 ( -0.649 1.003 2.553) 2.819 10.369 ( -0.314 10.201 -10.202) 14.431 10.631 ( 1.933 6.950 -7.721) 10.567 10.936 ( 0.817 4.330 -0.707) 4.463 11.024 ( -1.295 7.283 4.958) 8.905 11.395 ( -0.514 10.031 2.811) 10.430 11.531 ( -0.578 -5.801 4.310) 7.250 11.724 ( -0.612 -5.118 -2.140) 5.581 11.914 ( 2.028 0.070 -4.632) 5.056 12.284 ( -1.328 19.047 1.943) 19.192 12.688 ( 1.747 8.528 -8.595) 12.233 12.796 ( 0.068 -10.763 -0.521) 10.776 13.091 ( 0.265 -5.498 0.366) 5.516 13.260 ( -1.788 26.227 4.371) 26.648 13.570 ( -2.303 17.938 9.397) 20.381 13.810 ( -0.115 29.480 -3.616) 29.701 13.877 ( -0.766 19.463 -4.784) 20.057 14.669 ( 1.483 1.538 -0.944) 2.336 14.832 ( 0.693 -3.714 -2.479) 4.518 18.148 ( -0.092 15.744 -0.628) 15.756 18.355 ( -0.354 8.059 2.957) 8.592 18.444 ( 0.630 5.631 -0.587) 5.696 18.589 ( -0.303 0.056 -3.585) 3.598 19.682 ( -0.936 4.148 -8.352) 9.372 20.005 ( 3.021 -3.822 7.803) 9.199 21.969 ( 0.660 10.093 4.657) 11.136 22.126 ( -0.004 13.654 -3.827) 14.180 22.538 ( -7.326 -7.169 5.331) 11.554 22.792 ( -0.493 -6.362 1.458) 6.545 24.248 ( 6.063 -2.930 -0.282) 6.740 24.466 ( 1.600 -4.907 -3.948) 6.498 25.633 ( -1.205 -2.320 -0.436) 2.650 26.133 ( 0.674 -17.507 2.105) 17.646 ======================= Grid point 201 (103/140) ======================= q-point: ( 0.33 0.38 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( -1.468 3.870 -1.867) 4.541 1.950 ( 0.078 -3.487 0.154) 3.491 2.817 ( 1.192 11.099 -3.931) 11.835 3.076 ( -0.105 3.741 -4.668) 5.983 3.165 ( -0.966 8.726 3.188) 9.340 3.461 ( -6.372 -1.367 0.636) 6.548 3.681 ( -2.679 6.650 4.444) 8.435 3.878 ( -1.000 3.724 6.346) 7.425 4.139 ( -0.364 11.418 1.930) 11.585 4.454 ( -2.108 7.431 -4.865) 9.129 4.521 ( -3.625 11.578 9.797) 15.594 4.752 ( 3.286 7.499 1.441) 8.314 4.895 ( -5.979 -0.480 4.346) 7.407 4.939 ( 2.787 4.550 4.429) 6.935 5.148 ( 0.201 10.565 -4.064) 11.321 5.286 ( -4.099 -0.352 -2.263) 4.695 5.524 ( 2.411 -3.275 9.885) 10.689 5.631 ( -2.845 -2.556 1.294) 4.038 5.709 ( -3.021 0.657 0.907) 3.222 5.953 ( -4.441 -2.543 -5.246) 7.329 6.153 ( -1.272 -2.593 1.149) 3.108 6.180 ( -7.160 -3.503 5.147) 9.488 6.413 ( 7.621 2.097 -15.484) 17.385 6.635 ( -0.489 -3.831 -1.247) 4.059 6.678 ( 4.012 4.469 -4.775) 7.673 6.806 ( 5.131 -0.325 -5.028) 7.191 7.125 ( -2.473 6.826 4.296) 8.436 7.327 ( 0.076 0.678 -1.697) 1.829 7.532 ( 0.558 9.523 -5.182) 10.856 7.865 ( 3.323 5.717 -2.868) 7.208 7.931 ( 7.036 3.884 -2.158) 8.322 8.117 ( 5.040 0.885 6.198) 8.037 8.801 ( -0.293 9.648 2.730) 10.031 9.005 ( 1.272 3.164 -1.917) 3.912 9.222 ( -3.654 9.764 15.283) 18.500 9.633 ( 0.261 15.224 -0.301) 15.229 9.746 ( -1.503 2.369 1.480) 3.172 9.841 ( -2.120 8.206 0.702) 8.505 10.031 ( 0.403 13.220 2.306) 13.426 10.168 ( -0.615 1.480 2.013) 2.573 10.329 ( 1.364 7.424 -12.233) 14.374 10.627 ( 1.000 7.728 -7.476) 10.798 10.948 ( 0.626 4.400 -0.719) 4.502 11.034 ( 0.042 8.638 5.689) 10.343 11.408 ( 0.439 9.137 3.250) 9.708 11.554 ( 0.902 -4.375 4.362) 6.244 11.699 ( -0.816 -3.307 -2.309) 4.115 11.912 ( -0.390 -0.466 -3.992) 4.038 12.273 ( -0.405 19.274 1.235) 19.317 12.688 ( 1.740 9.151 -8.362) 12.517 12.789 ( -0.472 -9.760 -0.908) 9.814 13.095 ( 0.115 -6.532 -0.450) 6.549 13.246 ( -1.309 26.568 4.587) 26.992 13.565 ( -1.828 18.635 8.538) 20.579 13.782 ( -1.217 26.391 -3.184) 26.610 13.847 ( -0.158 18.709 -3.813) 19.095 14.705 ( 2.506 0.796 -1.442) 2.999 14.822 ( -0.653 -1.681 -2.848) 3.371 18.125 ( -1.197 15.947 -2.731) 16.223 18.370 ( 0.037 9.882 4.814) 10.992 18.450 ( -0.195 5.583 -0.186) 5.589 18.594 ( 2.178 0.331 -2.119) 3.057 19.586 ( -3.162 7.138 -10.614) 13.176 20.149 ( 5.800 -7.318 10.265) 13.876 22.003 ( 0.725 9.430 4.129) 10.320 22.122 ( 0.558 11.966 0.545) 11.991 22.399 ( -7.294 0.567 0.178) 7.318 22.782 ( -1.152 -6.501 2.495) 7.058 24.361 ( 4.598 -6.345 -0.908) 7.888 24.485 ( 1.982 -6.036 -3.870) 7.439 25.605 ( -1.196 -1.972 -0.621) 2.388 26.155 ( 0.565 -17.903 1.932) 18.016 ======================= Grid point 202 (104/140) ======================= q-point: (-0.50 0.38 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( -0.923 4.337 -1.830) 4.797 1.952 ( 0.035 -4.367 0.216) 4.373 2.859 ( 3.632 10.548 -2.210) 11.372 2.984 ( -3.760 10.689 -2.373) 11.577 3.262 ( 2.192 5.837 2.517) 6.724 3.328 ( -2.142 -1.393 1.816) 3.135 3.683 ( -0.257 5.925 4.757) 7.602 3.872 ( -3.092 5.174 10.364) 11.989 4.113 ( -2.095 5.581 -0.631) 5.994 4.348 ( -4.268 6.867 -2.859) 8.576 4.530 ( -1.356 8.238 8.011) 11.571 4.738 ( -7.236 0.697 0.708) 7.304 4.839 ( 4.268 9.860 -1.347) 10.828 5.031 ( 3.142 7.833 0.131) 8.441 5.163 ( 3.065 8.913 -4.298) 10.359 5.303 ( 8.384 -0.335 -2.267) 8.692 5.551 ( 0.749 0.376 2.448) 2.588 5.662 ( -2.971 -1.262 4.718) 5.717 5.718 ( 6.168 -4.328 2.563) 7.959 5.891 ( 0.230 -1.520 -1.172) 1.933 6.066 ( -7.270 -2.210 5.131) 9.168 6.126 ( -2.167 -4.985 2.325) 5.912 6.481 ( 3.196 1.585 -7.228) 8.061 6.577 ( -2.499 -0.718 -3.498) 4.359 6.695 ( -1.162 0.683 -8.212) 8.322 6.859 ( 3.107 -0.609 -4.809) 5.757 7.117 ( 0.550 7.845 2.283) 8.189 7.329 ( 1.389 3.223 -4.440) 5.659 7.523 ( -0.309 6.387 -2.488) 6.861 7.849 ( -1.840 0.476 -3.657) 4.122 8.034 ( 0.804 6.155 2.501) 6.692 8.203 ( 0.684 1.989 5.861) 6.227 8.818 ( 0.503 9.345 3.563) 10.014 8.993 ( -1.272 3.679 -2.696) 4.735 9.209 ( -3.759 10.556 14.726) 18.504 9.634 ( 0.057 13.220 0.276) 13.223 9.711 ( -2.262 5.859 0.371) 6.291 9.818 ( -0.149 7.507 0.839) 7.556 10.055 ( 0.635 14.028 3.071) 14.374 10.167 ( 0.154 2.872 0.433) 2.909 10.329 ( 3.573 5.750 -12.003) 13.780 10.616 ( 0.996 7.366 -6.737) 10.031 10.948 ( -0.422 4.433 -0.694) 4.507 11.064 ( 0.548 9.614 5.087) 10.891 11.428 ( -0.016 9.677 3.040) 10.143 11.588 ( 0.373 -4.341 4.137) 6.008 11.687 ( 0.875 -2.670 -1.753) 3.312 11.875 ( -1.529 -0.649 -3.801) 4.148 12.279 ( 0.533 20.595 0.983) 20.625 12.685 ( 1.491 9.234 -8.961) 12.953 12.777 ( -0.336 -9.767 -0.126) 9.773 13.089 ( -0.375 -8.249 -1.055) 8.325 13.253 ( 0.055 26.778 4.697) 27.187 13.570 ( -1.096 18.983 7.817) 20.559 13.747 ( -0.741 25.125 -2.801) 25.291 13.843 ( 1.155 18.716 -3.434) 19.063 14.746 ( 1.951 0.137 -1.296) 2.346 14.786 ( -1.392 -0.676 -3.152) 3.511 18.092 ( -0.786 16.931 -2.703) 17.163 18.393 ( -0.036 10.438 6.310) 12.197 18.437 ( -0.558 5.239 -1.650) 5.521 18.640 ( 2.690 -0.919 -1.609) 3.266 19.499 ( -1.456 10.271 -9.204) 13.869 20.270 ( 2.180 -10.257 8.423) 13.450 22.011 ( -1.639 10.007 3.299) 10.664 22.175 ( 3.799 5.981 6.806) 9.825 22.283 ( -2.942 7.803 -6.199) 10.391 22.767 ( -1.717 -6.733 3.523) 7.791 24.395 ( -0.781 -6.241 -0.800) 6.340 24.506 ( 1.423 -7.025 -4.022) 8.219 25.589 ( -0.066 -1.775 -0.608) 1.877 26.165 ( -0.370 -18.051 1.833) 18.147 ======================= Grid point 203 (105/140) ======================= q-point: (-0.33 0.38 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( 0.776 4.386 -0.531) 4.485 1.953 ( 0.022 -3.422 -0.002) 3.422 2.864 ( -0.429 6.886 -5.706) 8.953 3.001 ( 4.252 11.529 -0.351) 12.293 3.185 ( -3.539 5.541 1.875) 6.837 3.465 ( 7.775 0.696 2.958) 8.348 3.684 ( -1.296 6.476 2.565) 7.085 3.849 ( -3.110 7.898 11.459) 14.260 4.043 ( -3.864 3.220 -3.492) 6.123 4.306 ( 0.757 4.519 -1.083) 4.708 4.586 ( 2.726 7.459 6.793) 10.451 4.653 ( -1.515 3.498 3.352) 5.076 4.854 ( -0.839 5.610 3.569) 6.702 5.083 ( 0.936 5.187 6.231) 8.161 5.268 ( 6.282 12.232 -3.813) 14.270 5.522 ( 14.856 3.784 -5.309) 16.224 5.610 ( 1.781 -1.875 2.691) 3.732 5.642 ( 2.210 -1.914 3.183) 4.322 5.776 ( -0.847 -3.777 -2.564) 4.643 5.916 ( -7.503 2.566 -0.188) 7.932 5.981 ( 6.566 -1.463 2.809) 7.290 6.083 ( -2.453 -4.892 -0.721) 5.520 6.463 ( -7.020 -0.328 -0.581) 7.052 6.497 ( 0.059 -1.464 -7.323) 7.468 6.636 ( 0.320 1.882 -7.998) 8.222 6.883 ( 0.579 -0.965 -3.966) 4.123 7.163 ( 2.731 9.137 2.805) 9.941 7.355 ( 3.203 6.081 -4.766) 8.364 7.491 ( -2.043 4.011 -0.746) 4.563 7.770 ( -5.211 0.427 -1.581) 5.462 7.983 ( -5.221 5.212 -0.712) 7.412 8.178 ( -5.095 1.819 3.384) 6.382 8.838 ( 0.070 8.450 2.804) 8.904 8.948 ( -2.365 4.511 -1.149) 5.221 9.201 ( -3.159 11.168 14.796) 18.805 9.639 ( -0.532 14.391 1.984) 14.537 9.678 ( -0.024 6.711 -1.540) 6.885 9.846 ( 1.822 3.239 2.982) 4.765 10.069 ( -0.131 12.947 0.896) 12.979 10.174 ( 0.337 3.613 -0.060) 3.630 10.364 ( 4.475 7.460 -10.373) 13.538 10.611 ( 1.140 6.457 -6.566) 9.279 10.929 ( -1.067 4.315 -0.121) 4.446 11.086 ( -0.405 8.958 3.585) 9.657 11.429 ( -0.810 11.274 2.257) 11.526 11.593 ( -1.155 -5.990 3.078) 6.833 11.720 ( 2.416 -3.737 -0.309) 4.461 11.832 ( -0.933 -0.167 -4.174) 4.280 12.298 ( 0.658 21.664 1.451) 21.722 12.676 ( 1.550 7.305 -9.144) 11.806 12.777 ( 0.237 -9.025 0.290) 9.032 13.078 ( -0.216 -8.543 -0.622) 8.568 13.275 ( -0.031 25.993 4.379) 26.360 13.578 ( -1.544 18.214 8.162) 20.018 13.745 ( 1.855 27.324 -2.996) 27.550 13.861 ( 2.196 19.350 -4.022) 19.885 14.729 ( -2.195 2.788 -1.437) 3.828 14.786 ( 1.629 -4.030 -2.328) 4.930 18.078 ( 0.250 17.670 -1.188) 17.711 18.415 ( -0.195 7.769 2.423) 8.140 18.421 ( -0.383 5.673 1.125) 5.796 18.669 ( 1.065 -1.910 -3.047) 3.751 19.464 ( 1.334 11.988 -6.069) 13.503 20.288 ( -3.121 -11.069 4.588) 12.382 21.978 ( -2.832 10.058 4.048) 11.206 22.213 ( -0.862 10.319 -5.569) 11.758 22.341 ( 9.055 0.281 5.215) 10.453 22.743 ( -2.261 -6.438 4.178) 8.001 24.335 ( -4.760 -4.491 -0.096) 6.545 24.500 ( -0.197 -6.040 -4.230) 7.377 25.598 ( 1.156 -1.800 -0.412) 2.178 26.156 ( -1.329 -17.826 1.888) 17.975 ======================= Grid point 204 (106/140) ======================= q-point: (-0.17 0.38 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( 1.236 3.996 0.594) 4.225 1.955 ( 0.302 -1.665 -0.397) 1.739 2.862 ( 2.828 6.285 -6.714) 9.622 3.018 ( -1.652 1.904 -2.743) 3.726 3.211 ( 4.384 12.399 1.337) 13.219 3.572 ( -0.112 1.090 1.548) 1.896 3.683 ( 2.073 6.628 4.536) 8.294 3.882 ( 2.732 5.757 6.886) 9.383 3.974 ( -1.200 8.133 -2.718) 8.659 4.353 ( 3.418 3.187 0.681) 4.723 4.575 ( -3.820 8.341 6.478) 11.231 4.690 ( 1.029 3.936 0.964) 4.181 4.897 ( 0.411 5.585 9.080) 10.668 5.162 ( 2.928 6.845 8.901) 11.604 5.280 ( -4.551 6.780 9.496) 12.524 5.587 ( -3.803 -0.761 5.624) 6.832 5.620 ( -8.395 0.555 4.714) 9.644 5.758 ( 3.535 -2.448 -8.709) 9.712 5.850 ( 14.731 8.155 -8.038) 18.658 5.889 ( 5.964 -2.721 -1.559) 6.738 5.967 ( -2.436 -5.295 -2.308) 6.269 6.167 ( 8.646 -0.456 -6.270) 10.690 6.306 ( -4.085 2.596 -3.907) 6.221 6.519 ( 2.350 -2.914 -2.848) 4.703 6.604 ( -0.811 2.105 -8.082) 8.391 6.830 ( -4.554 0.397 -3.983) 6.063 7.217 ( 0.013 8.788 6.135) 10.718 7.397 ( 2.610 8.852 -3.193) 9.765 7.462 ( -0.946 1.771 2.514) 3.217 7.656 ( -4.454 3.098 -2.525) 5.984 7.882 ( -2.095 3.628 -7.077) 8.224 8.056 ( -7.462 1.372 0.784) 7.628 8.852 ( 0.915 7.153 1.171) 7.306 8.894 ( -3.161 5.767 1.523) 6.751 9.203 ( -2.927 10.863 15.087) 18.820 9.625 ( -1.107 16.769 1.791) 16.901 9.700 ( 2.145 3.568 -1.528) 4.435 9.893 ( 0.916 0.430 4.846) 4.951 10.060 ( -0.534 12.109 -1.801) 12.254 10.177 ( -0.160 3.426 0.559) 3.475 10.404 ( 3.087 10.312 -8.428) 13.671 10.608 ( 1.524 5.313 -7.069) 8.973 10.916 ( -0.140 4.420 0.151) 4.425 11.075 ( -1.897 7.446 2.694) 8.142 11.419 ( -1.069 11.932 1.816) 12.117 11.574 ( -2.104 -6.635 3.212) 7.666 11.748 ( 0.011 -8.179 -0.073) 8.180 11.826 ( 2.738 2.511 -4.993) 6.223 12.310 ( -0.238 21.448 2.018) 21.544 12.677 ( 2.395 6.749 -9.380) 11.801 12.785 ( 0.260 -10.064 0.629) 10.087 13.077 ( 0.190 -7.909 0.075) 7.912 13.282 ( -1.031 26.231 4.332) 26.606 13.578 ( -1.943 17.648 8.971) 19.892 13.783 ( 2.843 29.465 -3.402) 29.796 13.890 ( 2.321 20.786 -4.973) 21.498 14.684 ( -1.715 2.611 -0.993) 3.278 14.804 ( 1.215 -5.184 -1.886) 5.649 18.093 ( 1.362 17.517 0.586) 17.580 18.396 ( -1.064 4.828 -1.480) 5.160 18.433 ( -0.216 6.368 3.210) 7.135 18.658 ( -0.460 -1.748 -4.759) 5.091 19.510 ( 5.032 10.595 -2.035) 11.905 20.193 ( -7.232 -9.089 0.491) 11.625 21.948 ( -1.810 10.315 4.355) 11.342 22.178 ( -0.221 12.898 -6.859) 14.610 22.549 ( 8.058 -10.270 6.862) 14.748 22.720 ( -1.228 -4.231 3.824) 5.833 24.230 ( -5.210 -1.017 0.315) 5.318 24.474 ( -0.394 -4.863 -4.148) 6.404 25.625 ( 1.529 -2.095 -0.191) 2.600 26.134 ( -1.545 -17.426 2.041) 17.612 ======================= Grid point 205 (107/140) ======================= q-point: ( 0.00 0.46 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( 0.715 4.532 0.862) 4.668 1.919 ( 0.180 -3.104 0.588) 3.164 2.981 ( 2.797 1.627 -5.190) 6.116 2.988 ( -0.037 0.664 -4.183) 4.236 3.453 ( 0.637 5.561 -0.594) 5.629 3.532 ( -1.333 -2.384 0.912) 2.880 3.841 ( 0.756 4.406 3.084) 5.431 3.908 ( -0.165 -1.980 1.415) 2.439 4.242 ( 4.335 8.122 -1.189) 9.283 4.363 ( 3.573 -3.985 -1.525) 5.565 4.758 ( -0.581 3.740 7.211) 8.144 4.795 ( 1.643 0.140 7.123) 7.311 5.081 ( -6.599 16.617 12.493) 21.812 5.217 ( -8.353 2.941 12.007) 14.919 5.256 ( -7.293 -1.214 11.190) 13.411 5.371 ( -9.826 -9.566 9.255) 16.544 5.676 ( 0.278 4.149 -1.346) 4.371 5.728 ( 0.483 2.874 -2.707) 3.978 5.837 ( 0.579 -2.008 -2.500) 3.258 5.909 ( 4.648 -4.935 -1.799) 7.014 6.203 ( 10.147 0.863 -14.885) 18.035 6.256 ( 5.703 -3.390 -12.342) 14.012 6.349 ( 2.087 6.949 -7.036) 10.107 6.466 ( 1.131 -4.352 -8.446) 9.568 6.637 ( -0.270 4.118 -1.674) 4.453 6.712 ( -2.339 -2.403 -0.301) 3.367 7.340 ( -4.962 5.371 8.358) 11.105 7.412 ( -5.655 -1.741 7.332) 9.422 7.629 ( 5.859 5.732 -0.428) 8.208 7.690 ( 5.081 0.339 -2.868) 5.845 7.909 ( 0.542 1.987 -8.640) 8.882 7.939 ( -1.928 -1.022 -3.991) 4.548 8.948 ( -0.672 3.261 1.283) 3.568 8.969 ( 1.020 1.320 1.181) 2.043 9.451 ( -2.775 13.052 13.807) 19.201 9.695 ( -2.103 -8.739 9.213) 12.871 9.860 ( 0.753 4.383 -0.942) 4.546 9.883 ( 0.969 1.764 -1.495) 2.507 10.198 ( 1.842 3.430 -9.103) 9.900 10.200 ( 1.348 1.328 -9.262) 9.454 10.641 ( -1.383 11.079 0.416) 11.173 10.749 ( 1.281 4.029 -2.297) 4.811 10.943 ( -0.796 0.876 2.682) 2.931 11.056 ( -0.815 -6.423 1.127) 6.572 11.462 ( -2.187 0.775 4.230) 4.825 11.520 ( -2.571 -5.743 3.185) 7.052 11.648 ( 0.811 5.874 -0.349) 5.940 11.782 ( 2.253 -5.546 -2.568) 6.514 12.479 ( -1.363 -0.787 2.962) 3.354 12.538 ( -0.465 -8.573 -0.355) 8.593 12.925 ( 3.107 11.002 -9.658) 14.966 13.029 ( 2.111 -0.319 -5.768) 6.150 13.749 ( -1.322 14.763 4.893) 15.609 13.830 ( -1.418 6.034 5.905) 8.561 14.253 ( 0.236 12.446 -1.217) 12.508 14.293 ( -0.176 10.178 -1.062) 10.235 14.716 ( -0.156 2.857 -1.357) 3.166 14.756 ( 1.893 -1.355 -2.753) 3.605 18.378 ( 0.669 7.986 -0.938) 8.069 18.442 ( 0.126 1.134 -1.486) 1.874 18.514 ( -0.049 2.584 1.603) 3.042 18.576 ( -0.452 -3.297 -0.908) 3.449 19.763 ( 1.734 7.123 -0.255) 7.336 19.912 ( -2.874 -7.292 0.230) 7.841 22.135 ( -0.958 9.210 7.306) 11.795 22.344 ( -2.357 -9.535 8.000) 12.668 22.409 ( 1.667 8.760 -5.005) 10.226 22.617 ( 1.304 -9.335 -3.064) 9.911 24.230 ( 0.064 4.499 -0.837) 4.576 24.344 ( 0.129 -6.256 -1.455) 6.424 25.664 ( 0.182 4.479 -0.382) 4.499 25.827 ( -0.050 -11.441 0.202) 11.443 ======================= Grid point 206 (108/140) ======================= q-point: ( 0.17 0.46 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( -0.616 3.778 -0.049) 3.828 1.910 ( -1.217 -2.740 0.206) 3.006 2.974 ( 0.739 4.009 -4.964) 6.423 3.025 ( 3.490 -1.002 -4.535) 5.809 3.417 ( -3.822 5.397 -0.493) 6.631 3.493 ( -2.945 -2.370 1.107) 3.939 3.844 ( -2.061 3.833 2.779) 5.163 3.896 ( -1.265 -0.990 2.966) 3.373 4.336 ( 5.717 9.692 -2.926) 11.627 4.478 ( 7.726 -3.953 -4.210) 9.646 4.751 ( -3.874 4.858 7.152) 9.474 4.818 ( -3.081 -1.021 8.341) 8.951 4.915 ( -8.558 9.800 13.611) 18.829 5.061 ( -10.839 -3.417 6.673) 13.179 5.272 ( 3.695 3.382 10.381) 11.526 5.324 ( -1.796 -1.370 12.912) 13.108 5.576 ( -6.625 5.994 -5.789) 10.646 5.689 ( -5.363 -3.166 -6.157) 8.758 5.813 ( -2.241 3.399 -1.481) 4.332 5.943 ( -1.631 -6.860 -1.036) 7.127 6.206 ( -4.031 1.835 -3.448) 5.613 6.245 ( -4.195 -2.295 -1.254) 4.944 6.399 ( 6.173 2.329 -17.311) 18.526 6.451 ( 6.660 -3.333 -15.192) 16.919 6.702 ( 5.700 1.606 -0.414) 5.937 6.729 ( 2.100 0.009 3.312) 3.922 7.277 ( -4.426 4.066 6.809) 9.082 7.332 ( -4.555 -1.689 5.375) 7.245 7.740 ( 4.093 8.122 -6.008) 10.900 7.824 ( 9.063 1.677 -0.791) 9.251 7.904 ( 2.309 1.128 -7.424) 7.856 7.952 ( 4.600 -2.924 1.827) 5.749 8.948 ( 0.157 4.807 0.727) 4.864 9.001 ( 1.632 -0.302 0.355) 1.697 9.455 ( -2.735 12.770 14.262) 19.338 9.692 ( -2.162 -8.404 9.634) 12.966 9.872 ( 0.672 4.931 -1.493) 5.196 9.894 ( 0.965 0.512 -2.311) 2.556 10.196 ( 1.973 2.499 -9.066) 9.609 10.203 ( 2.547 4.021 -8.842) 10.042 10.594 ( -2.981 11.951 -0.152) 12.319 10.755 ( -0.149 0.615 -1.469) 1.599 10.950 ( 0.615 2.134 2.466) 3.319 11.068 ( 1.117 -5.099 2.197) 5.663 11.443 ( -1.333 0.432 4.183) 4.412 11.496 ( -1.101 -4.710 3.676) 6.076 11.660 ( 0.451 5.674 -0.623) 5.726 11.809 ( 1.359 -6.460 -2.325) 6.999 12.471 ( -0.594 0.399 2.835) 2.924 12.534 ( 0.190 -8.694 -0.239) 8.699 12.939 ( 2.336 10.587 -10.033) 14.771 13.040 ( 1.468 -0.382 -6.407) 6.585 13.739 ( -1.663 15.035 4.989) 15.929 13.825 ( -1.587 5.890 6.024) 8.573 14.215 ( -3.163 11.397 -1.030) 11.873 14.255 ( -2.840 9.050 -0.582) 9.503 14.732 ( 2.199 4.473 -2.231) 5.460 14.795 ( 2.791 -1.096 -2.855) 4.140 18.379 ( -0.122 7.347 -1.435) 7.487 18.449 ( 1.077 0.713 -1.434) 1.930 18.528 ( 0.592 2.891 1.936) 3.530 18.571 ( 0.300 -1.543 -0.657) 1.704 19.777 ( -0.170 5.545 -2.366) 6.031 19.900 ( 1.330 -6.110 3.472) 7.153 22.148 ( -0.818 8.404 7.033) 10.989 22.310 ( -3.839 -3.605 6.913) 8.690 22.423 ( 1.468 5.336 -4.457) 7.106 22.620 ( 0.404 -10.027 -3.329) 10.573 24.251 ( 2.239 2.972 -0.739) 3.794 24.349 ( 0.826 -5.995 -1.287) 6.187 25.659 ( -0.444 4.962 -0.496) 5.006 25.832 ( 0.404 -11.885 0.181) 11.894 ======================= Grid point 207 (109/140) ======================= q-point: ( 0.33 0.46 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( -1.405 3.492 -0.913) 3.873 1.884 ( -1.130 -3.114 -0.082) 3.313 2.984 ( 2.170 6.115 -3.627) 7.434 3.075 ( 2.965 -2.720 -3.525) 5.349 3.336 ( -3.241 6.594 0.931) 7.406 3.425 ( -4.447 -2.584 0.902) 5.222 3.807 ( -2.479 5.544 5.392) 8.121 3.890 ( -1.426 -2.175 6.756) 7.239 4.371 ( -2.566 10.522 -2.851) 11.200 4.513 ( -2.851 -2.303 -4.803) 6.041 4.694 ( -4.096 6.237 8.038) 10.968 4.813 ( -4.220 -5.771 4.937) 8.689 4.897 ( 3.596 5.708 2.570) 7.219 4.970 ( 3.129 -1.291 4.023) 5.257 5.342 ( -2.696 6.550 7.242) 10.130 5.379 ( 0.289 9.437 -5.405) 10.879 5.457 ( -0.046 -3.921 8.402) 9.272 5.546 ( -3.074 -6.046 -3.599) 7.678 5.751 ( -2.892 3.989 0.372) 4.941 5.865 ( -3.996 -6.073 -0.120) 7.270 6.117 ( -4.346 -0.717 0.024) 4.404 6.127 ( -7.091 -1.495 4.460) 8.510 6.464 ( 6.937 2.789 -14.057) 15.922 6.531 ( 5.206 -4.201 -10.935) 12.819 6.761 ( 0.533 2.580 -1.018) 2.824 6.799 ( 3.106 -0.924 -1.631) 3.627 7.236 ( -1.779 4.185 4.579) 6.453 7.301 ( -0.331 -2.320 2.713) 3.585 7.731 ( -0.374 8.828 -8.714) 12.410 7.866 ( -0.328 -4.028 -9.716) 10.523 8.036 ( 7.886 4.757 5.410) 10.681 8.105 ( 6.543 -2.032 6.762) 9.626 8.956 ( 0.322 5.531 0.394) 5.555 9.025 ( 0.635 -1.217 -0.411) 1.433 9.456 ( -3.020 12.746 13.910) 19.107 9.688 ( -2.136 -7.841 9.074) 12.181 9.868 ( -0.241 5.198 -2.060) 5.597 9.899 ( 0.413 0.114 -2.445) 2.482 10.200 ( 2.140 4.046 -9.101) 10.187 10.224 ( 3.291 3.179 -10.283) 11.255 10.544 ( -1.908 13.222 1.296) 13.422 10.737 ( -1.019 -1.796 -0.127) 2.069 10.980 ( 1.278 4.053 1.432) 4.485 11.107 ( 1.450 -4.502 3.362) 5.803 11.447 ( 0.186 0.339 3.406) 3.428 11.509 ( 0.806 -5.700 3.076) 6.527 11.657 ( -0.649 6.386 0.423) 6.433 11.810 ( -0.425 -6.352 -1.652) 6.577 12.481 ( 0.390 1.237 2.579) 2.887 12.541 ( 0.604 -8.107 -0.297) 8.135 12.932 ( 1.247 10.133 -10.518) 14.658 13.033 ( 0.552 -0.705 -6.977) 7.034 13.731 ( -1.090 15.346 4.814) 16.120 13.821 ( -1.139 5.715 5.814) 8.232 14.147 ( -2.857 10.854 -0.708) 11.246 14.198 ( -2.400 7.285 -0.187) 7.673 14.766 ( 2.106 5.062 -2.959) 6.230 14.827 ( 1.468 0.111 -2.897) 3.249 18.367 ( -0.221 8.334 -2.048) 8.585 18.465 ( 1.027 -0.753 -1.421) 1.908 18.545 ( -0.003 3.502 2.523) 4.316 18.583 ( 1.035 -0.924 -0.232) 1.407 19.755 ( -0.558 9.632 -2.751) 10.033 19.964 ( 2.667 -10.341 4.712) 11.672 22.159 ( -0.852 6.500 6.654) 9.341 22.258 ( -4.240 -1.222 7.361) 8.582 22.429 ( 1.401 6.422 -5.914) 8.842 22.611 ( 0.039 -9.607 -2.831) 10.016 24.297 ( 2.309 0.306 -0.783) 2.457 24.362 ( 0.882 -5.447 -1.051) 5.617 25.647 ( -0.437 6.008 -0.612) 6.055 25.840 ( 0.334 -12.783 0.129) 12.788 ======================= Grid point 208 (110/140) ======================= q-point: (-0.50 0.46 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( -0.493 4.089 -0.845) 4.205 1.872 ( -0.049 -3.740 -0.093) 3.741 3.012 ( 0.871 5.686 -2.198) 6.158 3.089 ( -0.383 -0.918 -1.756) 2.018 3.342 ( 1.802 2.141 0.955) 2.957 3.347 ( -1.087 1.989 1.022) 2.487 3.805 ( -0.812 5.920 7.377) 9.494 3.898 ( -1.348 -2.406 9.929) 10.305 4.259 ( -5.418 8.280 -5.122) 11.142 4.391 ( -5.605 -3.056 -6.210) 8.906 4.656 ( -2.095 4.200 7.562) 8.900 4.716 ( -4.497 -2.137 5.010) 7.063 5.001 ( 1.582 6.508 2.274) 7.073 5.094 ( 2.526 -2.021 3.266) 4.597 5.302 ( 4.703 6.466 -5.731) 9.838 5.371 ( 5.781 2.360 -5.440) 8.282 5.536 ( 4.155 0.776 2.854) 5.100 5.622 ( 6.068 -5.218 1.547) 8.151 5.717 ( -1.452 5.270 2.844) 6.162 5.828 ( -0.389 -4.797 2.410) 5.382 6.027 ( -4.578 -0.982 5.449) 7.184 6.045 ( -3.922 -2.687 4.141) 6.305 6.511 ( 0.793 1.376 -9.219) 9.355 6.541 ( 0.396 -1.639 -9.653) 9.799 6.740 ( -1.039 3.310 -4.212) 5.457 6.817 ( 0.959 -3.496 -3.258) 4.874 7.252 ( 1.876 5.293 2.727) 6.243 7.328 ( 2.291 -2.176 0.715) 3.239 7.681 ( -1.682 7.657 -6.283) 10.047 7.806 ( -2.250 -4.395 -6.588) 8.233 8.142 ( 0.092 4.328 5.542) 7.032 8.205 ( 0.415 -1.685 6.243) 6.480 8.963 ( 0.193 4.969 0.687) 5.020 9.021 ( -0.739 -0.733 -0.484) 1.148 9.453 ( -2.881 12.956 13.226) 18.737 9.685 ( -1.612 -7.561 8.159) 11.240 9.854 ( -0.147 5.335 -1.903) 5.667 9.888 ( -0.508 0.977 -1.994) 2.277 10.203 ( 2.067 4.322 -9.688) 10.808 10.239 ( 2.738 1.646 -11.727) 12.155 10.540 ( 0.566 13.565 2.882) 13.879 10.725 ( -0.187 -1.451 0.498) 1.545 10.996 ( -0.267 5.033 0.860) 5.113 11.139 ( 0.137 -5.206 3.257) 6.143 11.472 ( 0.782 0.598 2.818) 2.985 11.540 ( 1.182 -7.066 1.153) 7.256 11.646 ( -0.906 6.795 2.719) 7.375 11.784 ( -1.465 -5.296 -1.289) 5.644 12.502 ( 0.453 0.927 2.662) 2.855 12.551 ( 0.512 -7.292 -0.574) 7.332 12.909 ( 0.983 9.979 -10.657) 14.633 13.011 ( 0.342 -0.969 -6.868) 6.944 13.736 ( -0.355 15.327 4.461) 15.967 13.827 ( -0.752 5.715 5.385) 7.888 14.114 ( -0.030 11.032 -0.552) 11.046 14.173 ( 0.081 6.530 -0.071) 6.531 14.783 ( 0.862 4.248 -3.251) 5.418 14.827 ( -0.347 1.306 -2.550) 2.886 18.357 ( 0.140 9.507 -2.114) 9.740 18.473 ( 0.408 -1.395 -1.500) 2.089 18.546 ( -0.871 4.083 2.587) 4.912 18.601 ( 0.602 -2.268 0.104) 2.349 19.738 ( -0.140 13.292 -2.274) 13.486 20.021 ( 0.934 -13.792 3.981) 14.386 22.163 ( -1.880 5.073 6.542) 8.489 22.222 ( -1.736 -0.676 7.523) 7.751 22.431 ( 1.367 7.550 -6.572) 10.103 22.601 ( -0.023 -8.888 -2.060) 9.124 24.319 ( 0.101 -0.585 -0.845) 1.033 24.372 ( 0.528 -5.361 -1.042) 5.487 25.640 ( 0.041 6.557 -0.621) 6.586 25.844 ( -0.027 -13.231 0.107) 13.232 ======================= Grid point 209 (111/140) ======================= q-point: (-0.33 0.46 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( 0.665 4.551 -0.059) 4.600 1.880 ( 0.837 -3.862 0.058) 3.952 2.985 ( -1.469 4.979 -3.394) 6.202 3.060 ( -1.872 -2.074 -2.035) 3.457 3.347 ( 2.525 7.394 0.564) 7.834 3.448 ( 5.386 -2.672 0.570) 6.039 3.812 ( -1.190 5.966 5.123) 7.954 3.900 ( -2.415 -1.973 7.942) 8.533 4.175 ( -1.137 7.991 -0.983) 8.131 4.307 ( -0.904 -4.082 -0.834) 4.263 4.693 ( 2.075 2.804 4.641) 5.806 4.705 ( 1.074 1.322 4.673) 4.974 4.983 ( -2.182 7.146 7.658) 10.699 5.100 ( -1.095 -3.166 9.044) 9.644 5.460 ( 8.999 6.445 -5.940) 12.562 5.544 ( 10.406 -2.544 -6.326) 12.440 5.628 ( 1.752 1.109 2.303) 3.099 5.653 ( 0.529 2.168 1.334) 2.600 5.739 ( 2.828 3.207 -1.825) 4.649 5.878 ( 2.834 -6.432 -0.008) 7.028 5.974 ( -2.254 1.325 3.464) 4.340 6.010 ( -0.116 -2.416 0.174) 2.425 6.439 ( -2.927 -0.315 -6.467) 7.105 6.462 ( -3.218 -1.990 -9.546) 10.269 6.718 ( 0.305 5.272 -4.006) 6.628 6.824 ( 0.456 -4.591 -2.749) 5.370 7.322 ( 3.453 5.997 3.670) 7.833 7.396 ( 4.175 -1.221 0.949) 4.453 7.611 ( -3.082 6.649 -4.413) 8.555 7.726 ( -3.588 -4.254 -4.209) 6.977 8.091 ( -6.170 4.895 2.353) 8.220 8.168 ( -5.670 -2.448 3.241) 6.975 8.964 ( -0.493 3.842 0.812) 3.958 8.997 ( -1.569 0.471 0.289) 1.663 9.452 ( -2.667 13.173 12.986) 18.689 9.691 ( -1.245 -7.766 8.004) 11.222 9.852 ( 0.493 3.627 -1.139) 3.833 9.870 ( -0.456 3.481 -1.281) 3.737 10.203 ( 1.958 3.543 -9.715) 10.525 10.235 ( 1.714 0.860 -11.247) 11.409 10.581 ( 2.140 12.454 2.635) 12.909 10.731 ( 0.596 0.537 -0.272) 0.847 10.978 ( -1.714 4.822 1.055) 5.225 11.132 ( -1.934 -6.506 2.047) 7.090 11.490 ( -0.205 0.944 2.531) 2.709 11.558 ( 0.482 -7.104 -0.132) 7.121 11.645 ( -0.880 5.745 4.235) 7.192 11.754 ( -0.692 -3.982 -1.610) 4.351 12.510 ( -0.822 -0.528 2.709) 2.879 12.556 ( 0.179 -6.806 -0.617) 6.837 12.894 ( 1.992 10.358 -10.285) 14.732 12.999 ( 1.283 -0.864 -6.131) 6.323 13.747 ( -0.518 14.921 4.245) 15.521 13.831 ( -1.016 5.874 5.254) 7.946 14.144 ( 3.210 11.637 -0.669) 12.090 14.203 ( 2.871 7.270 -0.366) 7.825 14.774 ( -0.331 2.579 -3.160) 4.093 14.796 ( -1.808 2.037 -1.856) 3.296 18.356 ( 0.605 9.942 -1.789) 10.120 18.468 ( -0.297 -0.752 -1.470) 1.678 18.534 ( -1.322 3.642 2.243) 4.477 18.604 ( -0.289 -3.894 -0.060) 3.905 19.731 ( 0.206 14.191 -1.637) 14.286 20.026 ( -1.697 -14.314 2.206) 14.582 22.142 ( -2.539 6.551 6.861) 9.821 22.256 ( 1.407 -4.533 7.888) 9.206 22.427 ( 0.856 8.227 -6.285) 10.388 22.595 ( 0.322 -8.010 -1.976) 8.256 24.296 ( -1.823 0.948 -0.781) 2.198 24.370 ( -0.266 -5.809 -1.325) 5.964 25.644 ( 0.570 6.180 -0.517) 6.228 25.840 ( -0.384 -12.888 0.135) 12.894 ======================= Grid point 210 (112/140) ======================= q-point: (-0.17 0.46 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( 1.170 4.724 0.830) 4.937 1.902 ( 1.146 -3.596 0.443) 3.800 2.961 ( 0.971 3.720 -4.601) 5.996 3.016 ( -1.189 -1.584 -3.486) 4.010 3.411 ( 3.187 7.385 0.032) 8.043 3.526 ( 2.115 -4.181 -0.034) 4.686 3.814 ( 0.041 5.503 3.621) 6.587 3.893 ( -0.253 -2.132 4.093) 4.622 4.187 ( 1.478 9.055 1.208) 9.254 4.325 ( 1.413 -4.635 1.749) 5.152 4.736 ( 1.050 3.808 4.747) 6.175 4.744 ( 0.320 1.642 3.519) 3.897 5.031 ( 1.935 9.397 12.387) 15.668 5.192 ( 5.026 -4.136 11.556) 13.263 5.437 ( -10.823 7.739 7.659) 15.352 5.569 ( -9.836 -4.234 6.655) 12.608 5.641 ( 0.953 3.784 0.767) 3.977 5.714 ( 5.583 -2.341 -3.282) 6.887 5.827 ( 0.673 -2.107 -1.317) 2.574 5.851 ( 0.622 -4.588 -4.757) 6.638 6.013 ( 11.399 7.316 -10.652) 17.231 6.131 ( 11.065 -3.801 -10.425) 15.671 6.358 ( -0.867 3.239 -6.302) 7.139 6.440 ( 2.642 -4.376 -5.883) 7.794 6.689 ( -1.956 5.311 -3.761) 6.796 6.790 ( -3.136 -4.001 -2.352) 5.601 7.379 ( -1.175 6.434 7.534) 9.977 7.463 ( -0.681 -1.832 5.586) 5.918 7.558 ( 1.288 6.616 -4.093) 7.886 7.657 ( -0.602 -2.812 -3.967) 4.900 7.969 ( -4.642 4.455 -3.774) 7.459 8.043 ( -6.645 -2.423 -1.220) 7.177 8.957 ( -0.365 2.866 0.809) 3.001 8.968 ( -1.604 1.607 1.482) 2.712 9.452 ( -2.866 13.245 13.195) 18.914 9.697 ( -1.689 -8.370 8.495) 12.045 9.855 ( 0.195 2.927 -0.731) 3.023 9.869 ( 0.790 3.908 -0.935) 4.095 10.201 ( 1.790 2.905 -9.359) 9.962 10.218 ( 1.066 0.946 -10.150) 10.250 10.632 ( 1.703 11.245 1.831) 11.520 10.739 ( 0.652 3.470 -1.940) 4.029 10.953 ( -1.293 2.703 1.962) 3.582 11.089 ( -2.671 -7.093 1.068) 7.654 11.484 ( -1.485 1.036 3.199) 3.676 11.554 ( -1.353 -7.625 1.332) 7.858 11.641 ( -0.597 6.439 2.093) 6.797 11.753 ( 1.385 -4.179 -2.168) 4.907 12.497 ( -1.499 -1.265 2.734) 3.365 12.551 ( -0.496 -7.659 -0.428) 7.687 12.903 ( 3.016 10.947 -9.760) 14.973 13.010 ( 2.106 -0.539 -5.612) 6.019 13.751 ( -0.864 14.685 4.514) 15.387 13.832 ( -1.155 6.015 5.563) 8.274 14.215 ( 3.688 12.411 -1.028) 12.988 14.265 ( 3.126 9.013 -0.922) 9.584 14.748 ( -2.212 2.116 -1.130) 3.263 14.753 ( -0.218 0.470 -3.002) 3.046 18.366 ( 0.931 9.354 -1.279) 9.487 18.453 ( -0.530 0.354 -1.397) 1.535 18.518 ( -0.991 2.822 1.798) 3.490 18.592 ( -0.706 -4.359 -0.592) 4.455 19.736 ( 0.960 11.755 -0.744) 11.817 19.978 ( -3.436 -11.690 0.437) 12.192 22.130 ( -1.620 8.486 7.216) 11.256 22.319 ( 1.077 -10.209 8.647) 13.422 22.413 ( 0.395 9.911 -5.902) 11.542 22.601 ( 1.248 -7.913 -2.560) 8.410 24.253 ( -1.888 3.336 -0.835) 3.923 24.355 ( -0.505 -6.140 -1.483) 6.337 25.656 ( 0.715 5.160 -0.393) 5.224 25.832 ( -0.471 -12.007 0.179) 12.018 ======================= Grid point 247 (113/140) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( 0.000 0.000 0.000) 0.000 1.789 ( 0.000 0.000 0.000) 0.000 1.798 ( 0.000 0.000 -0.000) 0.000 2.086 ( 0.000 0.000 -0.000) 0.000 2.151 ( 0.000 0.000 0.000) 0.000 2.780 ( 0.000 0.000 0.000) 0.000 3.289 ( -0.000 0.000 0.000) 0.000 3.367 ( -0.000 0.000 0.000) 0.000 3.432 ( 0.000 0.000 0.000) 0.000 3.460 ( -0.000 0.000 0.000) 0.000 3.779 ( 0.000 0.000 -0.000) 0.000 3.926 ( -0.000 0.000 0.000) 0.000 4.017 ( 0.000 0.000 -0.000) 0.000 4.361 ( -0.000 0.000 0.000) 0.000 4.581 ( -0.000 0.000 0.000) 0.000 4.701 ( 0.000 0.000 0.000) 0.000 4.918 ( -0.000 0.000 0.000) 0.000 5.358 ( 0.000 0.000 -0.000) 0.000 5.571 ( -0.000 0.000 0.000) 0.000 5.688 ( 0.000 0.000 0.000) 0.000 5.741 ( -0.000 0.000 -0.000) 0.000 5.778 ( 0.000 0.000 0.000) 0.000 6.211 ( 0.000 0.000 0.000) 0.000 6.413 ( 0.000 0.000 0.000) 0.000 6.576 ( 0.000 0.000 0.000) 0.000 6.657 ( -0.000 0.000 0.000) 0.000 6.665 ( 0.000 0.000 -0.000) 0.000 6.962 ( 0.000 0.000 0.000) 0.000 7.045 ( 0.000 0.000 0.000) 0.000 7.058 ( 0.000 0.000 0.000) 0.000 7.342 ( 0.000 0.000 0.000) 0.000 7.771 ( 0.000 0.000 0.000) 0.000 7.965 ( 0.000 0.000 0.000) 0.000 8.030 ( 0.000 0.000 -0.000) 0.000 8.095 ( 0.000 0.000 0.000) 0.000 8.361 ( 0.000 0.000 0.000) 0.000 8.393 ( 0.000 0.000 -0.000) 0.000 8.456 ( -0.000 0.000 0.000) 0.000 8.614 ( 0.000 0.000 0.000) 0.000 8.718 ( 0.000 0.000 0.000) 0.000 9.124 ( 0.000 0.000 0.000) 0.000 9.434 ( 0.000 0.000 0.000) 0.000 9.588 ( 0.000 0.000 -0.000) 0.000 10.512 ( 0.000 0.000 0.000) 0.000 10.700 ( 0.000 0.000 -0.000) 0.000 10.704 ( -0.000 0.000 0.000) 0.000 11.460 ( 0.000 0.000 0.000) 0.000 11.618 ( 0.000 0.000 0.000) 0.000 12.258 ( 0.000 0.000 -0.000) 0.000 12.779 ( 0.000 0.000 0.000) 0.000 12.912 ( 0.000 0.000 0.000) 0.000 13.104 ( 0.000 0.000 0.000) 0.000 13.736 ( -0.000 0.000 0.000) 0.000 14.092 ( -0.000 0.000 0.000) 0.000 14.115 ( 0.000 0.000 -0.000) 0.000 14.246 ( 0.000 0.000 0.000) 0.000 15.342 ( -0.000 0.000 0.000) 0.000 15.706 ( 0.000 0.000 0.000) 0.000 16.206 ( 0.000 0.000 0.000) 0.000 16.516 ( -0.000 0.000 -0.000) 0.000 16.749 ( 0.000 0.000 0.000) 0.000 16.940 ( -0.000 0.000 0.000) 0.000 18.331 ( 0.000 0.000 0.000) 0.000 18.897 ( -0.000 0.000 0.000) 0.000 20.333 ( 0.000 0.000 0.000) 0.000 20.726 ( 0.000 0.000 0.000) 0.000 22.763 ( 0.000 0.000 0.000) 0.000 23.295 ( 0.000 0.000 0.000) 0.000 24.158 ( 0.000 0.000 0.000) 0.000 24.579 ( 0.000 0.000 0.000) 0.000 26.252 ( 0.000 0.000 0.000) 0.000 28.226 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 249 (114/140) ======================= q-point: ( 0.17 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( -3.077 0.000 -25.277) 25.464 1.872 ( 7.452 0.000 -2.328) 7.807 1.920 ( -8.439 0.000 -0.286) 8.444 2.207 ( 5.146 0.000 0.940) 5.231 2.229 ( 14.017 0.000 7.886) 16.083 2.744 ( -3.021 0.000 1.070) 3.205 3.336 ( 2.170 0.000 0.275) 2.187 3.344 ( -2.048 0.000 -1.741) 2.688 3.375 ( -3.990 0.000 0.301) 4.001 3.501 ( 1.788 0.000 2.461) 3.042 3.603 ( -18.716 0.000 13.632) 23.155 4.018 ( 11.110 0.000 -15.841) 19.349 4.155 ( 12.832 0.000 10.765) 16.749 4.340 ( -1.699 0.000 -1.078) 2.012 4.563 ( -2.065 0.000 2.488) 3.233 4.740 ( 5.652 0.000 -6.190) 8.382 4.954 ( 3.494 0.000 -1.529) 3.814 5.392 ( 2.470 0.000 -0.822) 2.603 5.550 ( -1.629 0.000 -1.404) 2.150 5.682 ( -0.725 0.000 0.401) 0.829 5.695 ( -1.148 0.000 -1.890) 2.212 5.944 ( 8.432 0.000 15.922) 18.017 6.180 ( -2.685 0.000 -1.645) 3.149 6.407 ( -1.526 0.000 4.381) 4.639 6.438 ( -14.475 0.000 3.484) 14.888 6.586 ( -4.742 0.000 -3.289) 5.771 6.646 ( 0.315 0.000 -5.787) 5.796 6.961 ( -1.125 0.000 4.855) 4.984 7.009 ( -1.129 0.000 -8.890) 8.961 7.060 ( 1.970 0.000 -2.899) 3.505 7.387 ( 1.285 0.000 1.284) 1.817 7.683 ( -8.381 0.000 3.294) 9.005 7.950 ( -4.694 0.000 -10.706) 11.690 7.974 ( 0.748 0.000 0.628) 0.976 8.096 ( 0.158 0.000 -0.715) 0.732 8.365 ( 0.332 0.000 0.447) 0.557 8.387 ( -3.374 0.000 9.150) 9.752 8.485 ( 4.894 0.000 -9.639) 10.810 8.604 ( -0.948 0.000 -0.095) 0.952 8.741 ( 2.032 0.000 0.127) 2.036 9.118 ( -0.645 0.000 0.594) 0.877 9.456 ( 1.164 0.000 2.080) 2.384 9.592 ( 0.265 0.000 0.913) 0.951 10.554 ( 3.271 0.000 3.458) 4.759 10.694 ( -0.817 0.000 5.263) 5.326 10.729 ( 3.867 0.000 -10.990) 11.651 11.429 ( -3.127 0.000 0.488) 3.165 11.626 ( 0.480 0.000 0.114) 0.494 12.201 ( -5.667 0.000 0.504) 5.689 12.759 ( -1.700 0.000 1.058) 2.002 12.911 ( -0.097 0.000 0.003) 0.097 13.065 ( -3.561 0.000 0.632) 3.617 13.753 ( 1.920 0.000 -0.815) 2.086 14.053 ( -4.184 0.000 2.638) 4.946 14.145 ( 2.143 0.000 0.718) 2.260 14.247 ( 0.089 0.000 -0.012) 0.090 15.342 ( 0.003 0.000 -0.019) 0.019 15.398 ( -27.104 0.000 5.719) 27.701 16.198 ( -3.356 0.000 12.470) 12.913 16.332 ( -5.462 0.000 -14.028) 15.054 16.941 ( 0.052 0.000 0.029) 0.059 17.022 ( 13.958 0.000 4.843) 14.775 18.335 ( 0.356 0.000 -0.046) 0.359 18.895 ( -0.225 0.000 0.030) 0.227 20.366 ( 2.571 0.000 9.139) 9.494 20.881 ( 12.827 0.000 -0.203) 12.829 22.492 ( -30.238 0.000 1.812) 30.292 23.077 ( -12.325 0.000 15.281) 19.632 24.049 ( -1.975 0.000 -8.423) 8.652 24.977 ( 25.194 0.000 -10.433) 27.268 26.269 ( 2.674 0.000 -1.701) 3.170 28.088 ( -12.886 0.000 2.334) 13.095 ======================= Grid point 250 (115/140) ======================= q-point: ( 0.33 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( -4.687 0.000 5.590) 7.294 1.838 ( 12.527 0.000 -18.951) 22.717 2.028 ( 8.016 0.000 -1.792) 8.214 2.327 ( 5.856 0.000 0.019) 5.856 2.438 ( 6.296 0.000 -4.425) 7.696 2.659 ( -7.846 0.000 1.962) 8.087 3.266 ( -17.694 0.000 14.669) 22.984 3.271 ( -5.103 0.000 3.397) 6.130 3.308 ( -1.910 0.000 -3.595) 4.071 3.346 ( -1.019 0.000 -2.893) 3.067 3.539 ( 1.069 0.000 1.756) 2.056 4.109 ( 3.079 0.000 -2.871) 4.210 4.302 ( -1.384 0.000 -0.989) 1.701 4.533 ( -1.695 0.000 2.007) 2.627 4.618 ( 26.613 0.000 5.391) 27.153 4.888 ( 11.863 0.000 -5.758) 13.186 5.018 ( 3.102 0.000 -1.262) 3.349 5.411 ( 1.724 0.000 -11.585) 11.712 5.510 ( -1.563 0.000 -1.357) 2.070 5.609 ( -12.807 0.000 19.449) 23.287 5.666 ( -0.913 0.000 0.471) 1.028 5.992 ( -13.790 0.000 -6.702) 15.332 6.141 ( -3.515 0.000 6.451) 7.347 6.272 ( 6.787 0.000 7.758) 10.307 6.392 ( -1.665 0.000 4.022) 4.353 6.541 ( 1.706 0.000 -6.040) 6.276 6.631 ( 0.568 0.000 -5.164) 5.195 6.938 ( -2.691 0.000 -7.757) 8.211 6.958 ( -0.892 0.000 3.489) 3.601 7.087 ( 1.598 0.000 -1.862) 2.454 7.350 ( -5.645 0.000 3.642) 6.718 7.531 ( -7.346 0.000 2.691) 7.823 7.848 ( 1.221 0.000 -13.685) 13.740 7.995 ( 0.937 0.000 0.797) 1.230 8.093 ( -0.116 0.000 -0.909) 0.917 8.327 ( -5.757 0.000 6.683) 8.821 8.377 ( 0.604 0.000 0.508) 0.790 8.536 ( 2.698 0.000 -5.240) 5.894 8.581 ( -1.140 0.000 -0.136) 1.148 8.779 ( 1.301 0.000 0.312) 1.338 9.115 ( 0.453 0.000 0.171) 0.485 9.472 ( -0.388 0.000 1.240) 1.300 9.604 ( 0.342 0.000 1.250) 1.296 10.638 ( 2.594 0.000 5.086) 5.709 10.712 ( 1.256 0.000 1.374) 1.861 10.755 ( 2.730 0.000 -8.789) 9.203 11.362 ( -3.231 0.000 0.405) 3.257 11.624 ( -0.872 0.000 -0.052) 0.874 12.080 ( -5.989 0.000 2.549) 6.509 12.742 ( -0.378 0.000 1.186) 1.245 12.909 ( -0.097 0.000 0.003) 0.097 13.002 ( -2.286 0.000 -0.602) 2.364 13.795 ( 2.352 0.000 -0.845) 2.500 13.955 ( -6.232 0.000 2.069) 6.567 14.189 ( 1.608 0.000 1.420) 2.145 14.249 ( 0.089 0.000 -0.012) 0.090 14.939 ( -18.618 0.000 5.624) 19.449 15.342 ( 0.002 0.000 -0.019) 0.019 16.181 ( -3.575 0.000 12.928) 13.413 16.214 ( -1.138 0.000 -14.572) 14.616 16.942 ( 0.052 0.000 0.029) 0.060 17.233 ( 6.032 0.000 3.674) 7.063 18.342 ( 0.359 0.000 -0.047) 0.362 18.890 ( -0.228 0.000 0.031) 0.231 20.533 ( 9.726 0.000 14.815) 17.722 21.065 ( 3.049 0.000 -8.812) 9.324 21.884 ( -25.036 0.000 5.371) 25.606 23.004 ( -2.518 0.000 7.581) 7.989 24.007 ( 0.190 0.000 -6.866) 6.869 25.239 ( 6.143 0.000 -8.019) 10.101 26.359 ( 6.410 0.000 -1.297) 6.540 27.841 ( -10.971 0.000 1.351) 11.054 ======================= Grid point 251 (116/140) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( -0.000 0.000 0.000) 0.000 2.095 ( -0.000 0.000 -0.000) 0.000 2.113 ( -0.000 0.000 -0.000) 0.000 2.392 ( -0.000 0.000 0.000) 0.000 2.415 ( 0.000 0.000 -0.000) 0.000 2.539 ( -0.000 0.000 -0.000) 0.000 3.114 ( -0.000 0.000 0.000) 0.000 3.219 ( -0.000 0.000 0.000) 0.000 3.279 ( -0.000 0.000 -0.000) 0.000 3.329 ( -0.000 0.000 0.000) 0.000 3.553 ( -0.000 0.000 0.000) 0.000 4.132 ( -0.000 0.000 0.000) 0.000 4.286 ( -0.000 0.000 -0.000) 0.000 4.520 ( -0.000 0.000 0.000) 0.000 5.018 ( -0.000 0.000 0.000) 0.000 5.028 ( 0.000 0.000 -0.000) 0.000 5.048 ( -0.000 0.000 0.000) 0.000 5.355 ( -0.000 0.000 0.000) 0.000 5.481 ( 0.000 0.000 -0.000) 0.000 5.490 ( -0.000 0.000 -0.000) 0.000 5.657 ( -0.000 0.000 0.000) 0.000 5.743 ( -0.000 0.000 0.000) 0.000 6.133 ( -0.000 0.000 -0.000) 0.000 6.382 ( -0.000 0.000 0.000) 0.000 6.400 ( -0.000 0.000 -0.000) 0.000 6.554 ( -0.000 0.000 0.000) 0.000 6.627 ( -0.000 0.000 -0.000) 0.000 6.884 ( -0.000 0.000 -0.000) 0.000 6.956 ( -0.000 0.000 0.000) 0.000 7.100 ( -0.000 0.000 -0.000) 0.000 7.280 ( -0.000 0.000 -0.000) 0.000 7.456 ( -0.000 0.000 0.000) 0.000 7.856 ( 0.000 0.000 -0.000) 0.000 8.008 ( -0.000 0.000 0.000) 0.000 8.088 ( -0.000 0.000 -0.000) 0.000 8.265 ( -0.000 0.000 0.000) 0.000 8.385 ( -0.000 0.000 0.000) 0.000 8.548 ( -0.000 0.000 0.000) 0.000 8.568 ( -0.000 0.000 -0.000) 0.000 8.791 ( -0.000 0.000 0.000) 0.000 9.127 ( -0.000 0.000 -0.000) 0.000 9.466 ( -0.000 0.000 -0.000) 0.000 9.610 ( -0.000 0.000 0.000) 0.000 10.673 ( -0.000 0.000 -0.000) 0.000 10.736 ( -0.000 0.000 -0.000) 0.000 10.763 ( -0.000 0.000 0.000) 0.000 11.329 ( -0.000 0.000 0.000) 0.000 11.608 ( -0.000 0.000 -0.000) 0.000 12.024 ( -0.000 0.000 0.000) 0.000 12.744 ( -0.000 0.000 -0.000) 0.000 12.908 ( -0.000 0.000 0.000) 0.000 12.979 ( -0.000 0.000 -0.000) 0.000 13.820 ( -0.000 0.000 0.000) 0.000 13.884 ( -0.000 0.000 0.000) 0.000 14.209 ( -0.000 0.000 -0.000) 0.000 14.250 ( -0.000 0.000 0.000) 0.000 14.770 ( -0.000 0.000 0.000) 0.000 15.342 ( -0.000 0.000 0.000) 0.000 16.168 ( 0.000 0.000 -0.000) 0.000 16.174 ( -0.000 0.000 0.000) 0.000 16.943 ( -0.000 0.000 -0.000) 0.000 17.297 ( -0.000 0.000 -0.000) 0.000 18.346 ( -0.000 0.000 0.000) 0.000 18.888 ( -0.000 0.000 0.000) 0.000 20.827 ( 0.000 0.000 0.000) 0.000 20.873 ( -0.000 0.000 -0.000) 0.000 21.688 ( -0.000 0.000 -0.000) 0.000 22.999 ( -0.000 0.000 -0.000) 0.000 23.995 ( -0.000 0.000 0.000) 0.000 25.260 ( -0.000 0.000 0.000) 0.000 26.434 ( -0.000 0.000 -0.000) 0.000 27.730 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 255 (117/140) ======================= q-point: ( 0.00 0.08 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( 0.000 -11.851 0.000) 11.851 1.667 ( 0.000 -4.352 0.000) 4.352 2.004 ( 0.000 -0.082 0.000) 0.082 2.464 ( 0.000 17.327 0.000) 17.327 2.512 ( 0.000 14.873 0.000) 14.873 2.677 ( 0.000 11.688 -0.000) 11.688 3.314 ( 0.000 1.582 0.000) 1.582 3.452 ( 0.000 5.875 0.000) 5.875 3.470 ( -0.000 4.311 -0.000) 4.311 3.520 ( 0.000 6.804 -0.000) 6.804 3.840 ( 0.000 -7.723 0.000) 7.723 3.998 ( 0.000 7.889 -0.000) 7.889 4.014 ( -0.000 19.329 0.000) 19.329 4.460 ( 0.000 -5.212 -0.000) 5.212 4.589 ( 0.000 15.768 0.000) 15.768 4.817 ( 0.000 4.644 0.000) 4.644 5.101 ( 0.000 15.713 0.000) 15.713 5.412 ( 0.000 6.497 -0.000) 6.497 5.721 ( 0.000 6.718 -0.000) 6.718 5.726 ( 0.000 0.061 0.000) 0.061 5.827 ( -0.000 12.552 -0.000) 12.552 5.984 ( 0.000 19.416 0.000) 19.416 6.236 ( 0.000 2.308 0.000) 2.308 6.345 ( -0.000 -4.470 0.000) 4.470 6.451 ( 0.000 -6.321 0.000) 6.321 6.749 ( 0.000 1.037 -0.000) 1.037 6.781 ( -0.000 7.089 0.000) 7.089 6.950 ( 0.000 -4.389 0.000) 4.389 7.029 ( -0.000 3.409 0.000) 3.409 7.104 ( 0.000 9.366 0.000) 9.366 7.516 ( 0.000 13.737 -0.000) 13.737 7.805 ( -0.000 3.746 0.000) 3.746 7.992 ( 0.000 -5.895 0.000) 5.895 7.993 ( -0.000 -4.549 -0.000) 4.549 8.125 ( 0.000 8.275 -0.000) 8.275 8.444 ( 0.000 10.598 -0.000) 10.598 8.452 ( 0.000 16.746 0.000) 16.746 8.560 ( 0.000 8.605 0.000) 8.605 8.743 ( 0.000 19.442 0.000) 19.442 8.951 ( 0.000 9.185 0.000) 9.185 9.249 ( 0.000 14.554 0.000) 14.554 9.439 ( 0.000 0.467 0.000) 0.467 9.687 ( 0.000 9.021 -0.000) 9.021 10.501 ( 0.000 -2.836 0.000) 2.836 10.648 ( -0.000 -3.773 0.000) 3.773 10.649 ( 0.000 -4.379 -0.000) 4.379 11.438 ( 0.000 -0.575 0.000) 0.575 11.494 ( 0.000 -16.878 0.000) 16.878 11.668 ( 0.000 -21.826 0.000) 21.826 12.561 ( 0.000 -4.266 0.000) 4.266 12.605 ( 0.000 -32.392 0.000) 32.392 13.470 ( 0.000 8.453 0.000) 8.453 13.638 ( -0.000 -6.663 0.000) 6.663 13.971 ( 0.000 -4.755 0.000) 4.755 14.123 ( 0.000 1.788 -0.000) 1.788 14.599 ( 0.000 8.895 0.000) 8.895 15.494 ( 0.000 22.970 0.000) 22.970 15.793 ( 0.000 -4.525 0.000) 4.525 15.961 ( -0.000 -42.462 0.000) 42.462 16.624 ( 0.000 36.875 0.000) 36.875 16.971 ( 0.000 28.462 0.000) 28.462 17.189 ( -0.000 18.098 0.000) 18.098 18.583 ( 0.000 20.304 0.000) 20.304 19.250 ( 0.000 27.329 0.000) 27.329 20.438 ( 0.000 10.622 0.000) 10.622 20.796 ( 0.000 7.180 0.000) 7.180 22.762 ( 0.000 0.059 0.000) 0.059 23.281 ( 0.000 -1.433 0.000) 1.433 24.141 ( 0.000 -0.790 0.000) 0.790 24.546 ( 0.000 -3.122 0.000) 3.122 26.209 ( 0.000 -4.136 0.000) 4.136 28.045 ( 0.000 -16.721 0.000) 16.721 ======================= Grid point 257 (118/140) ======================= q-point: ( 0.17 0.08 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( 3.129 -4.985 -12.063) 13.422 1.705 ( 2.251 -5.093 -5.043) 7.513 2.014 ( 3.577 0.866 -3.477) 5.063 2.493 ( 2.535 19.750 5.530) 20.666 2.529 ( -0.621 -0.321 3.485) 3.554 2.730 ( 5.160 21.833 -2.385) 22.561 3.279 ( -3.682 -1.358 0.100) 3.926 3.390 ( -4.377 3.230 -2.771) 6.105 3.493 ( -0.123 6.976 -0.058) 6.977 3.545 ( 1.185 6.162 2.475) 6.745 3.701 ( -12.840 6.154 5.000) 15.091 4.035 ( 4.981 -1.260 15.983) 16.789 4.125 ( 7.282 10.906 -10.412) 16.744 4.460 ( 0.058 -2.872 -1.053) 3.059 4.586 ( 0.525 12.496 4.522) 13.299 4.873 ( 8.811 9.279 -13.364) 18.502 5.134 ( 3.862 15.534 -2.725) 16.237 5.437 ( 0.491 5.364 5.360) 7.599 5.687 ( -3.115 1.653 -5.033) 6.145 5.731 ( 0.286 11.315 -0.140) 11.319 5.850 ( -2.962 10.248 3.894) 11.356 5.977 ( 2.398 5.224 11.555) 12.906 6.211 ( -3.022 1.746 -4.602) 5.776 6.353 ( 4.594 -0.182 -5.701) 7.324 6.439 ( -6.008 1.332 10.514) 12.183 6.665 ( -5.379 3.948 2.052) 6.981 6.813 ( 0.876 11.516 -4.248) 12.306 6.952 ( -0.046 -6.949 -5.612) 8.932 6.983 ( -1.952 4.343 6.580) 8.122 7.103 ( 2.270 8.587 -8.896) 12.570 7.547 ( -0.240 12.570 4.317) 13.293 7.725 ( -7.383 5.347 3.233) 9.672 7.969 ( -0.652 -0.266 -8.680) 8.709 7.982 ( -2.253 -4.512 -0.482) 5.066 8.112 ( 0.846 1.127 0.862) 1.652 8.423 ( -1.698 14.678 -2.520) 14.989 8.454 ( -0.365 13.415 2.261) 13.609 8.577 ( 1.032 8.939 -0.265) 9.002 8.737 ( 0.025 20.675 -3.847) 21.030 8.965 ( 1.866 6.721 -0.658) 7.006 9.246 ( -0.369 14.934 0.971) 14.970 9.463 ( 1.075 0.663 3.040) 3.292 9.691 ( 0.157 8.980 0.729) 9.010 10.526 ( 1.677 -4.893 2.176) 5.612 10.637 ( 1.320 -4.430 -3.201) 5.622 10.683 ( 2.123 -3.118 -2.349) 4.443 11.395 ( -4.860 -4.447 3.856) 7.633 11.474 ( -2.637 -17.213 1.450) 17.474 11.651 ( -1.139 -16.980 -0.024) 17.018 12.574 ( 0.539 -4.824 3.200) 5.814 12.598 ( 0.501 -29.968 -4.293) 30.278 13.435 ( -3.227 7.084 -0.471) 7.799 13.659 ( 2.095 -6.616 -0.548) 6.961 13.981 ( 0.653 -5.173 0.882) 5.288 14.112 ( -1.304 3.097 0.903) 3.480 14.594 ( -0.846 8.585 2.393) 8.952 15.379 ( -10.680 21.631 -2.912) 24.299 15.778 ( -0.911 2.271 -2.230) 3.311 15.957 ( 1.942 -31.266 -10.397) 33.006 16.450 ( -17.860 28.318 16.141) 37.167 16.953 ( -0.655 21.308 7.804) 22.702 17.268 ( 5.143 17.979 -3.308) 18.991 18.574 ( -0.399 19.025 -1.526) 19.090 19.288 ( 2.481 30.372 2.078) 30.544 20.483 ( 3.311 11.703 8.335) 14.744 20.926 ( 11.290 4.694 -0.300) 12.231 22.500 ( -28.952 0.997 1.235) 28.995 23.076 ( -11.669 -0.130 14.264) 18.430 24.070 ( -0.917 2.269 -7.459) 7.851 24.901 ( 23.622 -6.950 -9.583) 26.423 26.225 ( 2.478 -4.204 -1.414) 5.081 27.934 ( -10.207 -14.364 0.994) 17.649 ======================= Grid point 258 (119/140) ======================= q-point: ( 0.33 0.08 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( -0.552 -3.184 3.129) 4.498 1.742 ( 9.703 -0.611 -13.262) 16.444 2.136 ( 8.901 -2.031 -5.834) 10.834 2.509 ( -1.997 -5.923 1.461) 6.419 2.602 ( 4.222 24.871 8.801) 26.718 2.778 ( 0.456 21.928 -7.877) 23.305 3.193 ( -3.969 -1.592 -0.685) 4.331 3.250 ( -9.168 2.090 3.269) 9.955 3.459 ( -4.317 9.757 1.417) 10.763 3.471 ( -6.117 8.124 2.648) 10.508 3.602 ( 0.567 6.104 2.222) 6.521 4.133 ( 0.772 -0.029 1.548) 1.730 4.227 ( 3.134 -1.540 0.493) 3.527 4.476 ( 1.061 -1.615 1.785) 2.631 4.714 ( 10.873 4.896 4.924) 12.901 5.053 ( 14.960 14.097 -15.480) 25.733 5.214 ( 4.470 16.874 -0.379) 17.460 5.443 ( -0.491 3.714 -5.459) 6.621 5.559 ( -9.466 2.444 10.612) 14.429 5.704 ( -5.564 5.616 -0.517) 7.923 5.790 ( -0.538 10.632 4.296) 11.480 6.044 ( -3.776 5.292 -6.685) 9.325 6.209 ( 5.968 0.873 5.580) 8.217 6.294 ( -9.348 10.122 12.122) 18.352 6.419 ( 1.219 1.868 -5.488) 5.924 6.613 ( 1.283 4.106 -0.814) 4.378 6.816 ( 0.587 16.085 2.160) 16.240 6.937 ( 1.252 -1.357 -9.383) 9.563 7.000 ( -0.185 2.553 6.746) 7.215 7.102 ( 0.868 6.658 -8.571) 10.888 7.492 ( -6.618 12.654 6.179) 15.560 7.597 ( -6.212 8.198 4.038) 11.050 7.874 ( -1.145 6.423 -12.394) 14.006 7.993 ( 1.530 -12.553 1.715) 12.761 8.167 ( 3.689 -3.404 -0.245) 5.026 8.367 ( -2.728 17.407 -1.555) 17.688 8.445 ( -1.665 15.820 1.997) 16.032 8.576 ( -0.890 12.419 0.384) 12.457 8.700 ( -2.178 15.193 -4.133) 15.895 9.021 ( 3.634 6.655 -0.765) 7.621 9.248 ( 0.271 16.160 0.837) 16.184 9.480 ( -0.579 0.416 2.464) 2.565 9.697 ( 0.134 8.793 0.729) 8.824 10.566 ( 1.291 -8.186 2.023) 8.531 10.665 ( 3.135 -6.138 -8.620) 11.037 10.709 ( 0.590 -1.459 3.480) 3.820 11.317 ( -4.231 -9.490 7.058) 12.561 11.400 ( -4.447 -14.664 -1.821) 15.432 11.639 ( -0.201 -12.489 0.389) 12.497 12.596 ( -0.299 -20.315 6.138) 21.224 12.606 ( 2.649 -11.029 -7.698) 13.708 13.361 ( -3.644 4.349 0.079) 5.674 13.703 ( 2.305 -6.860 -0.866) 7.289 13.996 ( 0.495 -5.847 0.513) 5.890 14.085 ( -1.694 6.502 1.304) 6.844 14.592 ( -0.436 7.922 2.957) 8.467 15.122 ( -11.787 30.179 -3.361) 32.573 15.750 ( -0.912 12.012 -1.803) 12.181 15.966 ( 4.772 -16.808 -15.607) 23.428 16.191 ( -15.044 1.495 20.965) 25.847 16.998 ( 1.607 21.151 4.781) 21.744 17.325 ( 1.742 14.027 -0.376) 14.140 18.561 ( -0.291 17.319 -1.308) 17.370 19.333 ( 1.139 33.742 1.585) 33.798 20.648 ( 9.285 11.423 13.420) 19.919 21.105 ( 4.464 3.866 -7.642) 9.658 21.901 ( -25.964 2.103 4.505) 26.435 23.004 ( -2.450 0.050 6.835) 7.261 24.043 ( 0.480 3.601 -5.850) 6.886 25.163 ( 6.918 -7.075 -7.323) 12.311 26.306 ( 5.645 -5.163 -1.132) 7.733 27.733 ( -8.812 -10.221 0.512) 13.505 ======================= Grid point 259 (120/140) ======================= q-point: ( 0.50 0.08 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( -0.000 -0.619 0.000) 0.619 1.886 ( -0.000 -3.225 0.000) 3.225 2.224 ( -0.000 -8.854 -0.000) 8.854 2.477 ( -0.000 -3.324 -0.000) 3.324 2.663 ( -0.000 31.404 -0.000) 31.404 2.741 ( -0.000 20.653 0.000) 20.653 3.149 ( -0.000 -2.574 0.000) 2.574 3.154 ( 0.000 5.557 -0.000) 5.557 3.398 ( -0.000 9.942 -0.000) 9.942 3.431 ( -0.000 6.658 0.000) 6.658 3.616 ( -0.000 5.928 0.000) 5.928 4.138 ( -0.000 -0.761 0.000) 0.761 4.248 ( -0.000 -2.158 0.000) 2.158 4.489 ( -0.000 -0.708 0.000) 0.708 4.883 ( -0.000 -5.487 0.000) 5.487 5.235 ( -0.000 16.415 -0.000) 16.415 5.269 ( 0.000 14.090 0.000) 14.090 5.381 ( -0.000 9.042 0.000) 9.042 5.476 ( 0.000 -0.918 -0.000) 0.918 5.618 ( -0.000 0.605 -0.000) 0.605 5.803 ( -0.000 17.878 -0.000) 17.878 5.948 ( -0.000 13.789 0.000) 13.789 6.218 ( -0.000 7.384 -0.000) 7.384 6.354 ( -0.000 -1.048 -0.000) 1.048 6.363 ( 0.000 -0.221 0.000) 0.221 6.652 ( -0.000 5.409 0.000) 5.409 6.826 ( -0.000 14.635 0.000) 14.635 6.927 ( 0.000 4.030 -0.000) 4.030 7.024 ( -0.000 8.322 0.000) 8.322 7.076 ( -0.000 0.960 -0.000) 0.960 7.421 ( -0.000 12.685 -0.000) 12.685 7.544 ( -0.000 10.175 0.000) 10.175 7.843 ( -0.000 4.656 -0.000) 4.656 8.020 ( -0.000 -16.177 0.000) 16.177 8.214 ( -0.000 -5.235 0.000) 5.235 8.330 ( -0.000 21.110 0.000) 21.110 8.424 ( -0.000 18.240 0.000) 18.240 8.563 ( -0.000 19.123 0.000) 19.123 8.660 ( -0.000 6.650 0.000) 6.650 9.062 ( -0.000 8.532 -0.000) 8.532 9.256 ( -0.000 16.396 -0.000) 16.396 9.474 ( -0.000 0.108 -0.000) 0.108 9.700 ( -0.000 8.622 0.000) 8.622 10.585 ( -0.000 -8.983 -0.000) 8.983 10.674 ( -0.000 -7.731 0.000) 7.731 10.728 ( -0.000 -1.066 -0.000) 1.066 11.316 ( -0.000 -23.876 -0.000) 23.876 11.318 ( 0.000 0.654 0.000) 0.654 11.639 ( -0.000 -11.937 -0.000) 11.937 12.610 ( -0.000 -25.769 0.000) 25.769 12.618 ( 0.000 -4.082 -0.000) 4.082 13.320 ( -0.000 2.934 -0.000) 2.934 13.727 ( -0.000 -7.041 0.000) 7.041 14.002 ( -0.000 -6.091 0.000) 6.091 14.069 ( -0.000 8.744 -0.000) 8.744 14.596 ( -0.000 7.337 -0.000) 7.337 14.986 ( -0.000 35.465 0.000) 35.465 15.736 ( -0.000 15.121 0.000) 15.121 16.012 ( -0.000 4.377 0.000) 4.377 16.056 ( -0.000 -26.491 -0.000) 26.491 17.027 ( -0.000 22.238 -0.000) 22.238 17.340 ( -0.000 12.228 0.000) 12.228 18.554 ( -0.000 16.587 0.000) 16.587 19.346 ( -0.000 34.722 -0.000) 34.722 20.936 ( 0.000 10.332 0.000) 10.332 20.941 ( -0.000 7.114 -0.000) 7.114 21.678 ( -0.000 -0.406 -0.000) 0.406 22.997 ( -0.000 -0.059 -0.000) 0.059 24.036 ( -0.000 4.076 0.000) 4.076 25.196 ( -0.000 -6.013 0.000) 6.013 26.372 ( -0.000 -5.988 -0.000) 5.988 27.643 ( -0.000 -8.411 0.000) 8.411 ======================= Grid point 263 (121/140) ======================= q-point: ( 0.00 0.15 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( 0.000 13.835 0.000) 13.835 1.711 ( 0.000 6.424 0.000) 6.424 2.121 ( 0.000 13.063 0.000) 13.063 2.309 ( 0.000 -10.626 0.000) 10.626 2.794 ( 0.000 15.431 0.000) 15.431 3.253 ( -0.000 19.542 0.000) 19.542 3.307 ( 0.000 -2.087 0.000) 2.087 3.557 ( 0.000 5.492 0.000) 5.492 3.603 ( -0.000 7.745 0.000) 7.745 3.761 ( 0.000 16.865 -0.000) 16.865 3.798 ( 0.000 4.823 0.000) 4.823 4.251 ( 0.000 13.026 -0.000) 13.026 4.459 ( -0.000 8.188 0.000) 8.188 4.460 ( 0.000 20.393 -0.000) 20.393 4.864 ( 0.000 2.199 -0.000) 2.199 4.950 ( -0.000 19.887 0.000) 19.887 5.464 ( 0.000 19.169 0.000) 19.169 5.520 ( 0.000 1.851 0.000) 1.851 5.764 ( 0.000 -1.153 -0.000) 1.153 5.831 ( 0.000 8.491 0.000) 8.491 6.061 ( 0.000 3.928 0.000) 3.928 6.221 ( -0.000 3.344 0.000) 3.344 6.297 ( -0.000 1.387 -0.000) 1.387 6.375 ( 0.000 8.181 0.000) 8.181 6.439 ( -0.000 8.212 0.000) 8.212 6.676 ( 0.000 -3.976 -0.000) 3.976 6.714 ( 0.000 -16.200 0.000) 16.200 6.907 ( -0.000 5.622 0.000) 5.622 7.192 ( 0.000 8.800 0.000) 8.800 7.462 ( 0.000 20.203 0.000) 20.203 7.669 ( 0.000 -2.778 0.000) 2.778 7.785 ( 0.000 -7.661 -0.000) 7.661 8.019 ( 0.000 13.636 0.000) 13.636 8.092 ( 0.000 21.543 -0.000) 21.543 8.456 ( 0.000 19.784 -0.000) 19.784 8.746 ( 0.000 12.214 0.000) 12.214 8.872 ( 0.000 22.059 0.000) 22.059 8.973 ( 0.000 33.188 -0.000) 33.188 8.989 ( -0.000 12.406 0.000) 12.406 9.472 ( 0.000 33.469 0.000) 33.469 9.474 ( -0.000 4.315 -0.000) 4.315 9.621 ( 0.000 24.470 0.000) 24.470 9.900 ( 0.000 10.632 -0.000) 10.632 10.342 ( 0.000 -8.283 0.000) 8.283 10.585 ( 0.000 0.116 -0.000) 0.116 10.682 ( 0.000 7.844 0.000) 7.844 11.281 ( 0.000 2.013 0.000) 2.013 11.465 ( -0.000 -4.843 0.000) 4.843 11.524 ( 0.000 10.374 -0.000) 10.374 12.100 ( 0.000 -16.576 0.000) 16.576 12.470 ( 0.000 -4.983 0.000) 4.983 13.379 ( 0.000 -10.944 0.000) 10.944 13.466 ( -0.000 -10.428 0.000) 10.428 13.857 ( 0.000 -7.145 0.000) 7.145 13.992 ( 0.000 -13.878 -0.000) 13.878 14.551 ( 0.000 -13.022 0.000) 13.022 15.090 ( 0.000 -36.496 0.000) 36.496 15.494 ( 0.000 -16.872 0.000) 16.872 16.256 ( 0.000 42.499 0.000) 42.499 17.403 ( 0.000 34.535 0.000) 34.535 17.592 ( 0.000 20.362 -0.000) 20.362 17.694 ( -0.000 34.471 0.000) 34.471 18.994 ( 0.000 18.191 0.000) 18.191 19.754 ( 0.000 19.253 0.000) 19.253 20.769 ( 0.000 21.457 0.000) 21.457 21.035 ( 0.000 16.327 0.000) 16.327 22.773 ( 0.000 1.215 0.000) 1.215 23.232 ( 0.000 -3.569 0.000) 3.569 24.166 ( 0.000 3.712 0.000) 3.712 24.461 ( -0.000 -5.083 0.000) 5.083 26.092 ( 0.000 -7.146 0.000) 7.146 27.611 ( 0.000 -24.530 0.000) 24.530 ======================= Grid point 265 (122/140) ======================= q-point: ( 0.17 0.15 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 2.570 12.939 0.509) 13.201 1.749 ( 4.634 7.896 -3.856) 9.934 2.091 ( 0.741 9.285 -10.509) 14.042 2.339 ( 1.101 -8.104 5.119) 9.649 2.847 ( 5.764 14.417 -1.354) 15.585 3.220 ( -4.976 9.547 9.990) 14.687 3.321 ( 1.822 8.191 -5.695) 10.141 3.514 ( -3.421 10.091 0.166) 10.657 3.608 ( 0.053 4.495 -3.900) 5.952 3.741 ( -2.138 12.837 2.355) 13.225 3.796 ( -1.133 6.592 0.883) 6.747 4.236 ( -3.386 17.269 6.353) 18.709 4.405 ( -5.030 13.203 8.564) 16.522 4.470 ( 0.529 6.754 -2.336) 7.166 4.777 ( -3.235 5.832 3.226) 7.408 5.133 ( 16.720 16.665 -22.101) 32.337 5.489 ( 2.919 17.255 -0.169) 17.501 5.520 ( -3.453 0.967 14.375) 14.816 5.767 ( 0.164 6.407 -13.602) 15.036 5.864 ( 0.694 1.624 7.348) 7.557 5.995 ( -3.201 3.232 -0.638) 4.593 6.104 ( -8.894 5.317 3.130) 10.824 6.280 ( 1.685 4.836 0.065) 5.121 6.405 ( 4.927 6.349 -3.427) 8.736 6.539 ( 2.008 4.734 5.366) 7.432 6.637 ( -2.727 -4.108 -1.347) 5.111 6.756 ( 3.553 -10.474 0.463) 11.070 7.006 ( 9.047 7.498 -3.153) 12.165 7.154 ( -5.128 8.865 5.429) 11.592 7.409 ( -2.809 15.330 -5.868) 16.653 7.697 ( 2.057 3.418 2.073) 4.496 7.760 ( -1.740 -6.569 0.717) 6.834 8.023 ( -1.341 15.128 5.820) 16.264 8.099 ( -0.761 19.495 0.195) 19.511 8.391 ( -4.669 22.415 -5.307) 23.503 8.735 ( 1.883 11.857 -8.985) 14.996 8.899 ( 1.587 23.038 1.216) 23.124 8.962 ( -1.112 32.647 1.529) 32.702 9.026 ( 3.608 9.711 -1.060) 10.414 9.418 ( -3.828 32.059 -1.944) 32.345 9.495 ( 0.193 9.035 1.885) 9.232 9.620 ( -0.566 20.085 2.541) 20.253 9.902 ( 0.032 10.545 0.729) 10.570 10.346 ( 0.519 -7.886 -0.304) 7.909 10.571 ( 0.518 -0.217 -6.676) 6.700 10.704 ( 0.124 6.574 6.251) 9.072 11.251 ( -3.276 4.277 1.925) 5.721 11.435 ( -3.276 -3.731 7.273) 8.806 11.526 ( 0.410 8.514 -6.001) 10.425 12.107 ( 1.057 -17.031 -0.602) 17.075 12.484 ( 1.260 -5.022 0.113) 5.179 13.335 ( -3.960 -10.533 0.122) 11.254 13.487 ( 2.013 -10.579 -1.127) 10.827 13.861 ( 0.278 -7.287 0.548) 7.313 13.984 ( -0.969 -14.083 0.573) 14.128 14.538 ( -1.395 -13.643 0.640) 13.729 15.119 ( 3.445 -34.213 -1.383) 34.413 15.493 ( -0.284 -17.538 0.643) 17.552 16.215 ( -2.746 42.679 -6.998) 43.336 17.269 ( -16.019 40.348 0.740) 43.418 17.561 ( -0.804 29.199 14.616) 32.663 17.700 ( 0.895 23.555 -5.179) 24.134 18.942 ( -2.476 15.365 -5.348) 16.457 19.868 ( 6.790 23.416 8.168) 25.713 20.830 ( 5.040 21.462 4.153) 22.434 21.095 ( 5.935 12.666 -0.063) 13.988 22.542 ( -24.922 3.287 0.045) 25.138 23.070 ( -9.412 -0.684 10.800) 14.342 24.150 ( 0.739 5.716 -4.838) 7.525 24.726 ( 19.651 -9.568 -7.513) 23.112 26.103 ( 1.639 -7.601 -0.889) 7.826 27.554 ( -5.113 -21.955 -0.479) 22.548 ======================= Grid point 266 (123/140) ======================= q-point: ( 0.33 0.15 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( -0.553 9.841 -1.409) 9.957 1.855 ( 7.482 10.605 -4.009) 13.584 2.102 ( 2.902 2.376 -4.872) 6.148 2.372 ( 0.666 -5.461 1.911) 5.824 2.974 ( 7.052 7.996 -7.088) 12.803 3.186 ( -2.575 16.511 13.012) 21.179 3.290 ( -3.059 6.479 -1.596) 7.340 3.445 ( -2.572 19.180 -0.430) 19.357 3.592 ( 1.620 4.716 -10.372) 11.508 3.692 ( -5.151 10.559 5.592) 13.012 3.770 ( -0.791 9.340 4.717) 10.493 4.136 ( -8.463 7.356 3.964) 11.893 4.352 ( -2.674 10.341 2.169) 10.899 4.503 ( 2.226 4.153 2.966) 5.568 4.784 ( 3.150 2.283 -3.147) 5.004 5.359 ( 13.258 14.239 -16.705) 25.643 5.473 ( -8.082 -1.070 17.770) 19.551 5.559 ( 2.079 13.437 -0.198) 13.599 5.677 ( -0.500 7.957 -5.548) 9.713 5.808 ( -5.166 6.223 -6.111) 10.137 5.998 ( 4.079 8.003 5.769) 10.676 6.117 ( 4.046 4.028 0.074) 5.709 6.332 ( 3.736 5.926 -3.199) 7.702 6.413 ( -3.489 4.325 -2.462) 6.078 6.514 ( -6.359 4.334 8.750) 11.653 6.643 ( 4.227 0.015 -3.085) 5.233 6.850 ( 6.743 -4.819 -6.258) 10.385 7.037 ( -7.689 2.305 12.454) 14.817 7.186 ( 6.816 13.976 2.162) 15.699 7.337 ( -1.066 10.792 -9.497) 14.415 7.742 ( -0.047 -5.898 -1.153) 6.010 7.767 ( 2.820 14.294 6.818) 16.086 7.964 ( -7.250 24.563 6.032) 26.311 8.068 ( -0.816 7.877 -3.179) 8.533 8.282 ( -3.249 24.822 -5.676) 25.669 8.760 ( 3.423 10.455 -6.874) 12.972 8.904 ( -1.296 26.718 0.921) 26.765 8.967 ( 1.139 34.325 0.444) 34.346 9.091 ( 2.222 6.339 -2.673) 7.229 9.323 ( -3.750 35.424 -0.901) 35.634 9.494 ( -1.128 4.062 2.286) 4.796 9.621 ( -0.309 17.254 1.959) 17.368 9.904 ( -0.015 10.194 0.215) 10.196 10.361 ( 0.742 -7.089 0.805) 7.173 10.556 ( 0.475 -1.605 -5.825) 6.061 10.720 ( -0.889 4.994 6.017) 7.870 11.194 ( -2.541 7.526 1.750) 8.134 11.418 ( -1.433 -3.474 6.769) 7.742 11.484 ( -1.715 7.285 -6.010) 9.599 12.138 ( 2.088 -17.537 -0.774) 17.678 12.511 ( 1.278 -5.091 0.029) 5.249 13.252 ( -3.915 -9.379 0.277) 10.167 13.525 ( 2.097 -10.924 -1.258) 11.194 13.868 ( 0.177 -7.485 0.478) 7.502 13.963 ( -1.264 -14.508 0.709) 14.580 14.511 ( -1.307 -14.880 0.553) 14.948 15.215 ( 6.832 -31.358 -2.144) 32.165 15.478 ( -2.105 -19.816 1.841) 20.012 16.100 ( -5.230 46.391 -8.165) 47.394 16.939 ( -15.069 46.240 5.419) 48.935 17.648 ( 3.355 32.195 7.366) 33.197 17.690 ( -0.326 19.633 -0.978) 19.660 18.888 ( -1.122 13.036 -3.814) 13.629 19.997 ( 2.923 28.436 6.038) 29.216 20.984 ( 8.007 20.669 8.252) 23.651 21.223 ( 6.007 8.067 -4.669) 11.088 21.994 ( -26.151 7.414 2.347) 27.283 23.007 ( -2.066 0.124 4.794) 5.221 24.153 ( 1.051 7.081 -3.453) 7.948 24.977 ( 8.085 -10.652 -5.871) 14.605 26.156 ( 3.679 -9.382 -0.756) 10.106 27.448 ( -4.529 -17.317 -0.472) 17.906 ======================= Grid point 267 (124/140) ======================= q-point: ( 0.50 0.15 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( -0.000 9.123 0.000) 9.123 1.946 ( -0.000 8.148 0.000) 8.148 2.119 ( -0.000 0.523 -0.000) 0.523 2.381 ( -0.000 -4.620 -0.000) 4.620 3.059 ( -0.000 2.230 -0.000) 2.230 3.109 ( -0.000 14.795 0.000) 14.795 3.334 ( -0.000 10.805 -0.000) 10.805 3.394 ( -0.000 27.341 0.000) 27.341 3.585 ( 0.000 9.167 -0.000) 9.167 3.637 ( -0.000 12.578 0.000) 12.578 3.794 ( -0.000 12.460 0.000) 12.460 4.030 ( -0.000 -6.870 0.000) 6.870 4.328 ( -0.000 8.763 0.000) 8.763 4.533 ( -0.000 4.946 0.000) 4.946 4.823 ( -0.000 -1.183 0.000) 1.183 5.399 ( -0.000 -1.877 0.000) 1.877 5.465 ( 0.000 8.251 -0.000) 8.251 5.569 ( -0.000 8.947 -0.000) 8.947 5.711 ( -0.000 16.119 -0.000) 16.119 5.727 ( -0.000 9.217 0.000) 9.217 6.076 ( -0.000 8.869 -0.000) 8.869 6.166 ( -0.000 6.487 -0.000) 6.487 6.312 ( 0.000 5.149 -0.000) 5.149 6.397 ( -0.000 2.993 0.000) 2.993 6.450 ( -0.000 6.719 0.000) 6.719 6.688 ( -0.000 -0.104 -0.000) 0.104 6.935 ( 0.000 -1.649 -0.000) 1.649 6.960 ( -0.000 -0.883 0.000) 0.883 7.260 ( -0.000 10.448 0.000) 10.448 7.314 ( -0.000 15.067 -0.000) 15.067 7.740 ( -0.000 -5.380 -0.000) 5.380 7.800 ( -0.000 23.236 0.000) 23.236 7.909 ( 0.000 24.011 0.000) 24.011 8.041 ( -0.000 4.137 -0.000) 4.137 8.238 ( -0.000 23.327 -0.000) 23.327 8.787 ( -0.000 8.742 -0.000) 8.742 8.886 ( -0.000 27.573 0.000) 27.573 8.989 ( -0.000 37.389 0.000) 37.389 9.078 ( -0.000 13.907 -0.000) 13.907 9.300 ( -0.000 26.867 -0.000) 26.867 9.483 ( -0.000 2.150 0.000) 2.150 9.622 ( -0.000 17.268 -0.000) 17.268 9.904 ( -0.000 9.963 -0.000) 9.963 10.372 ( -0.000 -6.779 -0.000) 6.779 10.546 ( -0.000 -2.081 -0.000) 2.081 10.724 ( -0.000 4.269 0.000) 4.269 11.174 ( -0.000 8.408 0.000) 8.408 11.431 ( -0.000 -9.211 0.000) 9.211 11.438 ( -0.000 12.881 -0.000) 12.881 12.161 ( -0.000 -17.768 0.000) 17.768 12.525 ( -0.000 -5.120 -0.000) 5.120 13.211 ( -0.000 -8.588 -0.000) 8.588 13.545 ( -0.000 -11.105 0.000) 11.105 13.871 ( -0.000 -7.576 -0.000) 7.576 13.950 ( -0.000 -14.734 0.000) 14.734 14.499 ( -0.000 -15.474 0.000) 15.474 15.313 ( -0.000 -34.670 -0.000) 34.670 15.437 ( -0.000 -19.114 0.000) 19.114 16.013 ( -0.000 51.945 0.000) 51.945 16.800 ( -0.000 47.119 0.000) 47.119 17.682 ( -0.000 19.054 0.000) 19.054 17.705 ( -0.000 33.072 -0.000) 33.072 18.869 ( -0.000 12.448 0.000) 12.448 20.036 ( -0.000 30.104 -0.000) 30.104 21.177 ( -0.000 15.963 -0.000) 15.963 21.200 ( 0.000 13.967 0.000) 13.967 21.715 ( -0.000 5.536 0.000) 5.536 22.998 ( -0.000 0.143 -0.000) 0.143 24.157 ( -0.000 7.645 0.000) 7.645 25.032 ( -0.000 -9.721 -0.000) 9.721 26.200 ( -0.000 -10.689 -0.000) 10.689 27.400 ( -0.000 -15.223 0.000) 15.223 ======================= Grid point 271 (125/140) ======================= q-point: ( 0.00 0.23 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( 0.000 10.150 0.000) 10.150 1.835 ( 0.000 5.208 0.000) 5.208 2.258 ( 0.000 7.540 0.000) 7.540 2.511 ( 0.000 22.606 0.000) 22.606 3.031 ( 0.000 4.424 0.000) 4.424 3.340 ( 0.000 9.831 0.000) 9.831 3.452 ( 0.000 4.477 0.000) 4.477 3.671 ( 0.000 4.986 -0.000) 4.986 3.756 ( -0.000 6.884 0.000) 6.884 3.986 ( 0.000 12.074 0.000) 12.074 4.165 ( -0.000 20.938 0.000) 20.938 4.369 ( 0.000 2.199 0.000) 2.199 4.720 ( 0.000 8.786 0.000) 8.786 4.793 ( 0.000 13.102 0.000) 13.102 5.063 ( 0.000 19.060 -0.000) 19.060 5.324 ( -0.000 14.448 0.000) 14.448 5.543 ( 0.000 1.547 -0.000) 1.547 5.691 ( 0.000 -3.598 0.000) 3.598 5.868 ( -0.000 17.658 0.000) 17.658 5.876 ( 0.000 -3.129 -0.000) 3.129 6.061 ( 0.000 -0.841 0.000) 0.841 6.281 ( -0.000 -2.465 0.000) 2.465 6.293 ( 0.000 -6.971 -0.000) 6.971 6.446 ( -0.000 -1.510 0.000) 1.510 6.501 ( 0.000 -1.027 -0.000) 1.027 6.512 ( -0.000 5.844 0.000) 5.844 6.817 ( 0.000 14.521 0.000) 14.521 7.005 ( -0.000 4.738 0.000) 4.738 7.331 ( 0.000 5.200 0.000) 5.200 7.592 ( 0.000 -2.594 0.000) 2.594 7.649 ( 0.000 -4.111 -0.000) 4.111 7.773 ( 0.000 9.690 0.000) 9.690 8.392 ( 0.000 18.433 0.000) 18.433 8.569 ( 0.000 16.797 0.000) 16.797 8.822 ( 0.000 20.764 0.000) 20.764 9.074 ( 0.000 16.814 0.000) 16.814 9.141 ( -0.000 16.000 0.000) 16.000 9.464 ( 0.000 19.699 0.000) 19.699 9.539 ( 0.000 15.073 0.000) 15.073 9.806 ( 0.000 10.057 -0.000) 10.057 9.867 ( -0.000 38.374 0.000) 38.374 10.096 ( 0.000 9.419 -0.000) 9.419 10.193 ( -0.000 7.787 0.000) 7.787 10.548 ( 0.000 40.829 0.000) 40.829 10.713 ( 0.000 13.172 -0.000) 13.172 10.922 ( 0.000 8.287 0.000) 8.287 11.398 ( 0.000 14.881 0.000) 14.881 11.643 ( 0.000 20.798 -0.000) 20.798 11.695 ( 0.000 -1.765 0.000) 1.765 12.087 ( 0.000 21.776 0.000) 21.776 12.376 ( 0.000 -2.505 0.000) 2.505 13.145 ( 0.000 -9.772 0.000) 9.772 13.224 ( -0.000 -12.465 0.000) 12.465 13.651 ( 0.000 -18.229 0.000) 18.229 13.657 ( 0.000 -13.221 0.000) 13.221 14.061 ( 0.000 -26.235 0.000) 26.235 14.700 ( 0.000 -7.043 0.000) 7.043 15.178 ( 0.000 -13.530 0.000) 13.530 17.082 ( 0.000 37.024 0.000) 37.024 17.937 ( 0.000 17.897 0.000) 17.897 17.991 ( 0.000 18.715 0.000) 18.715 18.228 ( -0.000 18.046 0.000) 18.046 19.299 ( 0.000 12.039 0.000) 12.039 20.010 ( 0.000 6.988 0.000) 6.988 21.253 ( 0.000 24.459 0.000) 24.459 21.415 ( 0.000 19.466 -0.000) 19.466 22.810 ( 0.000 2.083 0.000) 2.083 23.130 ( 0.000 -6.664 0.000) 6.664 24.280 ( 0.000 6.716 0.000) 6.716 24.348 ( -0.000 -5.830 0.000) 5.830 25.928 ( 0.000 -8.779 0.000) 8.779 27.091 ( 0.000 -26.030 0.000) 26.030 ======================= Grid point 273 (126/140) ======================= q-point: ( 0.17 0.23 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( -2.078 7.728 2.585) 8.409 1.923 ( 7.185 5.758 -1.692) 9.362 2.277 ( 1.774 8.218 0.955) 8.461 2.451 ( -4.291 20.172 -6.082) 21.502 3.032 ( 1.116 3.308 -2.850) 4.507 3.377 ( 3.495 11.700 6.105) 13.652 3.456 ( 1.500 5.010 -7.426) 9.083 3.629 ( -4.050 2.460 0.720) 4.793 3.754 ( -0.278 7.659 1.434) 7.797 3.956 ( -3.018 10.385 3.464) 11.356 4.119 ( -5.311 20.338 2.187) 21.133 4.453 ( 6.787 5.380 2.573) 9.035 4.659 ( -4.546 9.855 -4.956) 11.931 4.738 ( -7.253 14.729 4.562) 17.040 4.944 ( -8.892 13.025 2.844) 16.025 5.441 ( 8.224 7.905 -1.814) 11.551 5.528 ( -1.374 5.679 6.330) 8.614 5.724 ( 0.042 1.881 -5.891) 6.184 5.831 ( 4.041 0.336 8.016) 8.983 5.913 ( -9.362 2.564 -4.613) 10.747 6.067 ( 11.345 7.542 -13.656) 19.289 6.142 ( -6.568 -3.200 -0.669) 7.337 6.320 ( 0.553 -4.837 -3.669) 6.097 6.432 ( 0.621 1.877 7.474) 7.731 6.578 ( 1.774 -2.216 6.199) 6.818 6.600 ( 7.851 4.002 -5.525) 10.401 6.812 ( -0.644 13.377 4.269) 14.056 7.085 ( 3.335 1.297 -1.763) 3.989 7.299 ( -0.667 5.870 1.648) 6.134 7.527 ( -2.694 1.331 -5.011) 5.843 7.680 ( 1.912 -1.213 3.466) 4.140 7.856 ( 6.245 8.891 0.518) 10.878 8.389 ( -1.253 18.037 5.569) 18.919 8.574 ( -0.826 18.966 -0.039) 18.984 8.818 ( 0.583 19.995 -4.784) 20.567 9.057 ( 0.876 18.967 -7.491) 20.411 9.178 ( 2.198 15.004 3.315) 15.523 9.408 ( -3.243 17.639 -0.951) 17.960 9.565 ( 0.459 13.932 1.277) 13.998 9.778 ( -2.696 15.876 2.251) 16.260 9.888 ( 1.959 32.440 -2.616) 32.604 10.093 ( -0.563 9.389 1.050) 9.465 10.160 ( -3.180 11.849 -0.764) 12.292 10.541 ( -0.614 37.467 1.328) 37.496 10.699 ( -0.720 13.565 -2.414) 13.797 10.931 ( 0.049 7.937 2.922) 8.458 11.368 ( -2.643 12.815 1.882) 13.219 11.618 ( -2.396 21.938 1.107) 22.096 11.743 ( 4.378 -0.458 -2.010) 4.839 12.043 ( -4.168 21.074 0.345) 21.485 12.389 ( 1.068 -2.675 0.556) 2.934 13.119 ( -2.380 -8.545 0.426) 8.880 13.240 ( 1.672 -12.749 -1.477) 12.943 13.637 ( -1.464 -17.958 1.679) 18.096 13.664 ( 0.670 -13.442 -1.246) 13.516 14.060 ( -0.228 -25.454 -0.003) 25.455 14.729 ( 3.052 -7.859 -0.698) 8.460 15.168 ( -1.244 -13.786 0.494) 13.851 17.049 ( -2.223 37.275 -4.211) 37.578 17.895 ( -5.577 21.323 3.174) 22.268 18.047 ( 5.019 19.424 1.018) 20.088 18.150 ( -6.723 18.659 2.648) 20.009 19.192 ( -5.532 10.018 -8.451) 14.226 20.180 ( 10.760 7.776 10.833) 17.135 21.298 ( 4.597 23.291 -0.134) 23.741 21.428 ( 1.015 18.523 1.255) 18.593 22.623 ( -19.633 4.108 -0.335) 20.061 23.036 ( -5.198 -3.004 5.186) 7.934 24.289 ( 1.451 7.265 -2.104) 7.702 24.530 ( 14.779 -9.481 -4.718) 18.182 25.926 ( 0.204 -9.481 -0.523) 9.498 27.076 ( -1.190 -24.418 -0.572) 24.454 ======================= Grid point 274 (127/140) ======================= q-point: ( 0.33 0.23 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( -1.781 6.364 -1.207) 6.718 2.047 ( 4.976 3.742 1.809) 6.484 2.310 ( 1.493 16.725 -11.721) 20.478 2.354 ( -2.694 7.070 6.052) 9.689 3.059 ( 2.688 3.009 -1.552) 4.323 3.411 ( -3.387 6.824 -4.105) 8.654 3.504 ( 0.533 9.565 5.815) 11.207 3.629 ( 11.724 3.598 -6.702) 13.975 3.760 ( -0.635 9.440 6.824) 11.665 3.907 ( -2.798 11.132 1.202) 11.541 4.009 ( -5.866 16.208 3.848) 17.662 4.450 ( -15.647 18.394 -3.453) 24.394 4.583 ( -4.075 11.634 5.128) 13.351 4.616 ( 3.111 5.942 3.365) 7.504 4.840 ( -0.579 4.302 -8.294) 9.361 5.432 ( -8.052 -1.567 15.908) 17.898 5.585 ( 0.225 6.495 -2.274) 6.885 5.715 ( -1.045 2.460 -4.412) 5.158 5.829 ( 9.972 6.736 -9.358) 15.244 5.897 ( -2.851 1.674 1.501) 3.631 6.060 ( 1.798 -0.090 7.728) 7.935 6.254 ( 0.763 -8.818 -7.714) 11.740 6.301 ( 7.801 10.113 -8.316) 15.241 6.513 ( 3.133 5.027 5.732) 8.242 6.602 ( -0.997 1.650 2.008) 2.784 6.698 ( 3.490 2.477 -9.176) 10.124 6.838 ( 1.006 6.451 7.043) 9.603 7.008 ( -6.639 -1.766 2.731) 7.393 7.375 ( 3.395 5.014 -0.521) 6.078 7.507 ( 3.076 8.174 -0.891) 8.779 7.742 ( 2.668 3.631 2.261) 5.041 7.978 ( 5.486 7.491 0.556) 9.301 8.388 ( -1.484 18.935 5.664) 19.820 8.507 ( -5.087 24.275 0.677) 24.811 8.803 ( 0.530 20.151 -7.976) 21.679 9.062 ( 1.660 21.176 -3.756) 21.570 9.234 ( 2.186 12.060 -0.255) 12.260 9.370 ( 0.245 16.182 -0.079) 16.184 9.541 ( -3.422 10.881 1.316) 11.482 9.736 ( -2.000 13.450 0.861) 13.625 9.908 ( 1.210 34.999 -2.780) 35.130 10.079 ( -5.639 17.933 14.842) 23.951 10.088 ( 1.320 9.680 -12.991) 16.254 10.542 ( -0.081 31.528 2.067) 31.595 10.675 ( -0.551 14.088 -2.527) 14.323 10.939 ( -0.449 7.722 2.748) 8.209 11.334 ( -1.463 11.028 1.575) 11.236 11.577 ( -1.765 23.091 0.510) 23.164 11.814 ( 3.000 1.946 -1.346) 3.821 11.956 ( -4.051 18.087 0.477) 18.542 12.415 ( 1.106 -3.043 0.425) 3.265 13.075 ( -1.898 -6.011 0.252) 6.309 13.269 ( 1.673 -13.271 -1.438) 13.453 13.612 ( -1.528 -18.348 1.324) 18.459 13.671 ( 0.398 -12.868 -0.754) 12.896 14.052 ( -0.437 -23.995 0.014) 23.999 14.806 ( 4.677 -9.942 -1.124) 11.045 15.132 ( -2.548 -14.063 0.894) 14.320 16.983 ( -2.246 38.511 -4.089) 38.792 17.752 ( -8.668 31.880 3.348) 33.206 18.049 ( -1.916 15.652 -3.774) 16.214 18.174 ( 4.210 19.096 7.330) 20.883 19.087 ( -2.262 7.529 -5.635) 9.672 20.396 ( 6.084 9.984 8.224) 14.294 21.427 ( 8.222 20.972 0.122) 22.526 21.459 ( 1.446 15.769 1.120) 15.874 22.182 ( -21.846 9.919 0.507) 23.998 23.000 ( -1.035 -1.199 2.057) 2.596 24.313 ( 1.440 7.928 -1.173) 8.142 24.749 ( 8.191 -11.521 -4.155) 14.733 25.939 ( 1.265 -11.474 -0.429) 11.551 27.050 ( -1.079 -21.468 -0.512) 21.501 ======================= Grid point 275 (128/140) ======================= q-point: ( 0.50 0.23 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( -0.000 6.295 -0.000) 6.295 2.107 ( -0.000 2.650 0.000) 2.650 2.275 ( -0.000 14.039 0.000) 14.039 2.364 ( -0.000 6.723 -0.000) 6.723 3.101 ( -0.000 2.983 -0.000) 2.983 3.342 ( -0.000 8.589 0.000) 8.589 3.505 ( -0.000 3.344 0.000) 3.344 3.748 ( -0.000 10.308 -0.000) 10.308 3.856 ( -0.000 14.809 0.000) 14.809 3.902 ( -0.000 11.560 -0.000) 11.560 3.968 ( -0.000 5.024 0.000) 5.024 4.159 ( -0.000 21.094 0.000) 21.094 4.539 ( -0.000 10.816 0.000) 10.816 4.671 ( -0.000 8.081 -0.000) 8.081 4.830 ( -0.000 2.262 0.000) 2.262 5.362 ( -0.000 -1.134 -0.000) 1.134 5.588 ( -0.000 3.421 0.000) 3.421 5.677 ( -0.000 1.888 -0.000) 1.888 5.859 ( -0.000 2.567 -0.000) 2.567 5.983 ( -0.000 11.409 0.000) 11.409 6.121 ( -0.000 -2.871 -0.000) 2.871 6.160 ( -0.000 -5.944 0.000) 5.944 6.483 ( 0.000 4.175 -0.000) 4.175 6.497 ( -0.000 8.675 0.000) 8.675 6.570 ( -0.000 6.496 -0.000) 6.496 6.686 ( -0.000 -1.369 0.000) 1.369 6.884 ( -0.000 -1.765 -0.000) 1.765 6.950 ( -0.000 3.220 0.000) 3.220 7.394 ( -0.000 3.912 -0.000) 3.912 7.563 ( -0.000 11.314 0.000) 11.314 7.778 ( -0.000 5.545 0.000) 5.545 8.041 ( -0.000 5.325 0.000) 5.325 8.371 ( -0.000 22.034 -0.000) 22.034 8.458 ( 0.000 25.729 0.000) 25.729 8.787 ( -0.000 20.966 -0.000) 20.966 9.073 ( -0.000 22.283 0.000) 22.283 9.243 ( -0.000 10.571 -0.000) 10.571 9.408 ( -0.000 17.530 0.000) 17.530 9.480 ( 0.000 7.692 -0.000) 7.692 9.716 ( -0.000 9.649 0.000) 9.649 9.913 ( -0.000 40.307 0.000) 40.307 10.046 ( -0.000 19.571 0.000) 19.571 10.082 ( -0.000 8.591 -0.000) 8.591 10.547 ( -0.000 29.148 -0.000) 29.148 10.663 ( -0.000 14.502 0.000) 14.502 10.939 ( -0.000 7.585 0.000) 7.585 11.323 ( -0.000 10.639 0.000) 10.639 11.560 ( -0.000 23.321 0.000) 23.321 11.839 ( -0.000 7.159 -0.000) 7.159 11.915 ( -0.000 12.205 0.000) 12.205 12.427 ( -0.000 -3.249 -0.000) 3.249 13.056 ( -0.000 -4.639 -0.000) 4.639 13.284 ( -0.000 -13.553 0.000) 13.553 13.598 ( -0.000 -18.429 0.000) 18.429 13.673 ( -0.000 -12.663 0.000) 12.663 14.047 ( -0.000 -23.329 0.000) 23.329 14.862 ( -0.000 -11.450 0.000) 11.450 15.099 ( -0.000 -13.837 0.000) 13.837 16.949 ( -0.000 39.582 0.000) 39.582 17.663 ( -0.000 35.832 0.000) 35.832 18.025 ( -0.000 14.461 0.000) 14.461 18.238 ( -0.000 18.896 -0.000) 18.896 19.054 ( -0.000 6.759 0.000) 6.759 20.471 ( -0.000 11.399 -0.000) 11.399 21.478 ( -0.000 14.336 -0.000) 14.336 21.552 ( -0.000 19.652 0.000) 19.652 21.917 ( -0.000 12.673 0.000) 12.673 22.995 ( -0.000 -0.875 -0.000) 0.875 24.326 ( -0.000 8.245 0.000) 8.245 24.816 ( -0.000 -11.308 0.000) 11.308 25.955 ( -0.000 -12.800 -0.000) 12.800 27.037 ( -0.000 -20.109 0.000) 20.109 ======================= Grid point 279 (129/140) ======================= q-point: ( 0.00 0.31 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( -0.000 3.041 0.000) 3.041 1.919 ( 0.000 2.947 0.000) 2.947 2.542 ( 0.000 16.277 0.000) 16.277 2.908 ( 0.000 11.185 0.000) 11.185 3.058 ( 0.000 5.141 0.000) 5.141 3.521 ( 0.000 2.785 0.000) 2.785 3.658 ( 0.000 17.559 0.000) 17.559 3.753 ( -0.000 3.218 0.000) 3.218 3.873 ( 0.000 4.767 0.000) 4.767 4.260 ( 0.000 14.952 0.000) 14.952 4.394 ( 0.000 0.642 0.000) 0.642 4.552 ( -0.000 15.330 0.000) 15.330 4.888 ( 0.000 10.832 0.000) 10.832 5.015 ( -0.000 8.876 0.000) 8.876 5.401 ( 0.000 9.780 -0.000) 9.780 5.445 ( -0.000 -2.048 0.000) 2.048 5.602 ( 0.000 3.867 -0.000) 3.867 5.726 ( -0.000 7.228 0.000) 7.228 5.799 ( 0.000 -2.258 -0.000) 2.258 5.938 ( 0.000 -4.002 -0.000) 4.002 6.086 ( 0.000 -7.831 0.000) 7.831 6.202 ( 0.000 4.525 -0.000) 4.525 6.207 ( 0.000 -2.063 0.000) 2.063 6.466 ( 0.000 0.061 0.000) 0.061 6.560 ( -0.000 7.252 -0.000) 7.252 6.579 ( 0.000 -0.592 0.000) 0.592 7.107 ( 0.000 13.506 -0.000) 13.506 7.152 ( -0.000 9.863 0.000) 9.863 7.423 ( 0.000 4.173 0.000) 4.173 7.588 ( -0.000 2.273 0.000) 2.273 7.612 ( 0.000 0.319 -0.000) 0.319 7.911 ( 0.000 4.155 0.000) 4.155 8.674 ( 0.000 10.349 0.000) 10.349 8.782 ( 0.000 7.545 0.000) 7.545 9.175 ( 0.000 11.323 0.000) 11.323 9.438 ( 0.000 19.163 -0.000) 19.163 9.504 ( -0.000 15.932 0.000) 15.932 9.696 ( 0.000 6.052 0.000) 6.052 9.820 ( 0.000 11.574 0.000) 11.574 10.037 ( 0.000 13.139 0.000) 13.139 10.256 ( 0.000 10.052 0.000) 10.052 10.328 ( -0.000 5.247 0.000) 5.247 10.607 ( -0.000 25.922 0.000) 25.922 10.934 ( -0.000 1.776 0.000) 1.776 11.089 ( 0.000 20.877 0.000) 20.877 11.427 ( 0.000 38.132 0.000) 38.132 11.666 ( 0.000 2.691 0.000) 2.691 11.717 ( 0.000 2.859 0.000) 2.859 12.031 ( 0.000 11.736 0.000) 11.736 12.560 ( 0.000 9.911 -0.000) 9.911 12.574 ( -0.000 25.514 0.000) 25.514 13.138 ( 0.000 8.700 -0.000) 8.700 13.140 ( 0.000 13.760 0.000) 13.760 13.317 ( 0.000 -7.459 0.000) 7.459 13.356 ( 0.000 -12.334 0.000) 12.334 13.718 ( 0.000 -7.916 0.000) 7.916 14.633 ( -0.000 -0.674 0.000) 0.674 14.948 ( 0.000 -9.215 0.000) 9.215 17.725 ( 0.000 26.109 0.000) 26.109 18.212 ( 0.000 10.180 0.000) 10.180 18.294 ( 0.000 11.076 0.000) 11.076 18.468 ( 0.000 6.952 0.000) 6.952 19.494 ( 0.000 7.543 0.000) 7.543 20.078 ( -0.000 0.311 0.000) 0.311 21.705 ( 0.000 19.217 0.000) 19.217 21.777 ( 0.000 15.729 -0.000) 15.729 22.833 ( 0.000 -0.680 0.000) 0.680 22.958 ( -0.000 -10.221 0.000) 10.221 24.236 ( -0.000 -4.696 -0.000) 4.696 24.397 ( 0.000 3.887 0.000) 3.887 25.754 ( 0.000 -7.699 0.000) 7.699 26.579 ( 0.000 -23.835 0.000) 23.835 ======================= Grid point 281 (130/140) ======================= q-point: ( 0.17 0.31 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( -1.748 4.123 -0.619) 4.520 1.962 ( 3.471 -0.008 -0.134) 3.473 2.544 ( -0.493 14.503 3.981) 15.048 2.852 ( -4.339 15.573 -6.084) 17.273 3.069 ( 1.319 3.199 0.228) 3.467 3.533 ( 0.876 3.022 1.196) 3.366 3.662 ( -2.045 8.416 -3.566) 9.366 3.694 ( -0.172 10.175 -1.775) 10.330 3.881 ( 0.898 5.081 -0.453) 5.179 4.187 ( -3.759 12.040 0.336) 12.618 4.486 ( -2.999 11.769 2.703) 12.442 4.560 ( 7.235 7.954 1.817) 10.904 4.838 ( -3.032 10.133 -4.275) 11.408 4.986 ( -4.278 10.429 2.640) 11.578 5.187 ( -15.240 7.525 2.879) 17.239 5.473 ( -3.999 0.717 16.008) 16.516 5.674 ( 3.899 -0.330 1.883) 4.342 5.724 ( -0.785 0.741 -0.661) 1.266 5.833 ( -4.180 2.034 2.452) 5.256 5.885 ( 3.700 -2.252 -12.882) 13.590 6.027 ( -1.603 -4.001 -0.585) 4.349 6.175 ( -1.326 -0.570 -5.731) 5.910 6.292 ( 10.154 1.450 -10.788) 14.886 6.469 ( -1.018 -2.144 9.306) 9.604 6.569 ( 3.471 4.782 -2.127) 6.280 6.684 ( 4.858 2.011 0.713) 5.306 7.079 ( -3.005 12.203 6.561) 14.177 7.165 ( -1.442 7.814 -5.944) 9.924 7.398 ( 0.797 3.664 1.309) 3.972 7.584 ( 1.939 4.979 -2.319) 5.825 7.697 ( 6.213 2.383 2.454) 7.093 7.994 ( 6.574 4.658 1.148) 8.139 8.662 ( -1.146 9.995 3.130) 10.536 8.818 ( 3.125 7.815 -3.228) 9.015 9.160 ( -0.866 12.110 -2.209) 12.340 9.445 ( -0.496 18.062 5.620) 18.923 9.521 ( 3.322 15.255 -9.094) 18.068 9.695 ( -0.905 9.240 2.658) 9.657 9.775 ( -3.864 10.583 0.599) 11.283 10.011 ( -3.259 11.815 1.534) 12.352 10.251 ( -0.228 10.025 -1.148) 10.093 10.327 ( -0.043 6.453 0.302) 6.461 10.619 ( 1.010 25.608 0.258) 25.630 10.931 ( -0.382 1.840 0.474) 1.938 11.093 ( 0.306 21.031 0.408) 21.037 11.381 ( -3.531 36.250 0.063) 36.421 11.665 ( -0.787 6.748 3.516) 7.649 11.745 ( 2.580 1.616 -3.128) 4.365 12.021 ( -1.012 12.173 0.362) 12.221 12.523 ( -1.365 13.463 -6.382) 14.962 12.577 ( -1.876 22.659 7.222) 23.856 13.131 ( 0.489 8.535 -2.113) 8.806 13.154 ( 0.373 14.561 1.531) 14.646 13.300 ( -1.671 -8.943 0.251) 9.102 13.362 ( 0.624 -12.468 -0.866) 12.514 13.722 ( 0.334 -7.916 -0.016) 7.923 14.651 ( 1.838 -1.008 -0.120) 2.099 14.936 ( -1.225 -9.103 -0.077) 9.185 17.695 ( -2.015 26.251 -3.029) 26.502 18.209 ( -0.512 11.090 1.617) 11.219 18.347 ( 4.412 10.455 1.792) 11.489 18.428 ( -4.410 9.048 2.586) 10.392 19.375 ( -6.895 8.376 -8.521) 13.795 20.232 ( 10.209 -1.595 8.862) 13.612 21.729 ( 2.820 18.386 -2.015) 18.710 21.784 ( 0.299 15.849 2.617) 16.066 22.677 ( -15.197 0.270 0.686) 15.215 22.940 ( -0.267 -6.432 -0.371) 6.448 24.352 ( 10.164 -7.564 -3.093) 13.042 24.411 ( 1.223 3.797 0.603) 4.035 25.740 ( -1.135 -8.157 -0.369) 8.243 26.587 ( 0.709 -23.248 -0.193) 23.260 ======================= Grid point 282 (131/140) ======================= q-point: ( 0.33 0.31 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( -1.848 4.391 -1.446) 4.979 2.024 ( 2.644 -3.426 -0.121) 4.330 2.561 ( 0.429 12.503 5.387) 13.621 2.721 ( -5.106 19.004 -7.714) 21.135 3.122 ( 3.811 3.256 1.311) 5.181 3.511 ( -7.521 -1.500 0.315) 7.675 3.562 ( 0.742 6.713 -1.041) 6.833 3.829 ( 10.458 10.531 -1.424) 14.909 3.907 ( 2.108 6.243 -1.076) 6.677 4.140 ( -0.683 11.523 -2.029) 11.721 4.364 ( -8.056 16.716 4.771) 19.159 4.710 ( 3.016 3.341 0.526) 4.532 4.760 ( -7.672 11.482 -6.889) 15.432 4.822 ( -6.977 12.157 7.645) 15.966 4.979 ( -4.446 8.794 -4.023) 10.644 5.401 ( -8.066 -2.346 15.614) 17.730 5.646 ( -3.576 0.833 -0.219) 3.678 5.712 ( -4.155 -1.956 -3.176) 5.583 5.811 ( 4.159 -4.834 6.440) 9.063 5.962 ( 4.856 1.103 -6.747) 8.386 6.043 ( 3.528 -0.480 -3.752) 5.173 6.142 ( 0.584 -1.124 -4.198) 4.385 6.424 ( 3.823 1.155 0.635) 4.044 6.539 ( 5.920 -5.759 -0.284) 8.264 6.633 ( 3.468 5.119 -4.384) 7.580 6.713 ( -2.365 1.234 1.542) 3.081 7.013 ( -5.112 9.596 1.696) 11.004 7.106 ( -0.993 9.255 -0.616) 9.329 7.435 ( 1.387 1.837 -0.071) 2.303 7.684 ( 7.176 7.964 -0.201) 10.722 7.830 ( 5.475 5.016 2.468) 7.824 8.117 ( 4.701 5.782 0.773) 7.492 8.668 ( 0.355 9.816 3.253) 10.347 8.839 ( 0.087 9.362 -2.999) 9.831 9.134 ( -0.491 13.238 -2.824) 13.545 9.463 ( -0.614 14.640 8.169) 16.776 9.540 ( 3.136 15.409 -14.671) 21.506 9.676 ( -1.444 15.160 1.400) 15.293 9.717 ( -2.575 7.893 4.103) 9.261 9.930 ( -4.952 10.297 1.900) 11.583 10.241 ( -0.192 10.033 -1.284) 10.117 10.331 ( 0.235 8.123 0.656) 8.153 10.639 ( 0.716 25.334 0.354) 25.346 10.925 ( -0.353 1.551 0.293) 1.617 11.101 ( 0.180 22.717 0.388) 22.721 11.325 ( -1.914 35.808 0.259) 35.860 11.667 ( -0.246 8.520 2.773) 8.963 11.764 ( 0.463 1.133 -2.458) 2.746 12.000 ( -1.066 13.049 0.320) 13.096 12.477 ( -0.929 15.471 -3.823) 15.963 12.562 ( -1.856 21.751 4.736) 22.338 13.141 ( 1.038 7.539 -1.151) 7.697 13.167 ( 0.564 17.893 0.412) 17.907 13.263 ( -1.958 -12.143 0.513) 12.311 13.369 ( 0.434 -13.451 -1.029) 13.498 13.727 ( 0.184 -7.770 0.017) 7.772 14.699 ( 2.957 -1.845 -0.248) 3.494 14.901 ( -2.250 -8.850 0.046) 9.132 17.644 ( -1.619 26.735 -2.560) 26.906 18.210 ( 0.002 13.902 2.391) 14.106 18.331 ( -4.630 12.336 -2.065) 13.337 18.452 ( 3.613 8.966 5.313) 11.030 19.239 ( -3.477 8.339 -6.123) 10.914 20.443 ( 6.870 -3.628 6.572) 10.176 21.775 ( 1.777 15.489 -2.435) 15.779 21.832 ( 4.196 16.751 3.431) 17.606 22.351 ( -15.954 5.991 -0.392) 17.046 22.942 ( 0.316 -4.851 -0.316) 4.872 24.440 ( 1.512 3.759 -0.228) 4.058 24.522 ( 6.892 -10.424 -1.948) 12.648 25.719 ( -0.693 -9.362 -0.299) 9.392 26.600 ( 0.611 -22.195 -0.180) 22.204 ======================= Grid point 283 (132/140) ======================= q-point: ( 0.50 0.31 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( -0.000 4.518 0.000) 4.518 2.052 ( -0.000 -4.933 0.000) 4.933 2.607 ( -0.000 13.163 0.000) 13.163 2.621 ( -0.000 18.383 -0.000) 18.383 3.185 ( -0.000 5.153 -0.000) 5.153 3.413 ( -0.000 -2.582 0.000) 2.582 3.571 ( -0.000 6.783 0.000) 6.783 3.933 ( -0.000 7.703 -0.000) 7.703 3.971 ( -0.000 2.219 0.000) 2.219 4.125 ( -0.000 11.664 0.000) 11.664 4.310 ( 0.000 19.013 -0.000) 19.013 4.533 ( -0.000 14.824 0.000) 14.824 4.731 ( -0.000 7.522 0.000) 7.522 4.845 ( -0.000 8.801 -0.000) 8.801 4.928 ( -0.000 7.468 0.000) 7.468 5.342 ( -0.000 -2.020 -0.000) 2.020 5.627 ( -0.000 1.025 -0.000) 1.025 5.648 ( -0.000 -2.917 0.000) 2.917 5.852 ( -0.000 -2.522 -0.000) 2.522 6.018 ( -0.000 -6.020 -0.000) 6.020 6.059 ( -0.000 -2.350 0.000) 2.350 6.161 ( 0.000 5.263 -0.000) 5.263 6.480 ( -0.000 -4.171 0.000) 4.171 6.570 ( -0.000 -3.045 -0.000) 3.045 6.668 ( 0.000 0.853 -0.000) 0.853 6.679 ( -0.000 5.857 0.000) 5.857 6.963 ( -0.000 9.222 0.000) 9.222 7.098 ( -0.000 8.967 -0.000) 8.967 7.449 ( -0.000 2.024 -0.000) 2.024 7.768 ( -0.000 6.384 0.000) 6.384 7.895 ( -0.000 7.309 0.000) 7.309 8.166 ( -0.000 6.173 0.000) 6.173 8.684 ( -0.000 10.201 -0.000) 10.201 8.823 ( -0.000 10.605 0.000) 10.605 9.123 ( -0.000 13.632 0.000) 13.632 9.478 ( -0.000 9.926 0.000) 9.926 9.532 ( -0.000 19.483 -0.000) 19.483 9.666 ( -0.000 10.278 0.000) 10.278 9.702 ( -0.000 13.251 -0.000) 13.251 9.877 ( -0.000 9.815 0.000) 9.815 10.236 ( -0.000 10.077 0.000) 10.077 10.336 ( -0.000 8.574 0.000) 8.574 10.646 ( -0.000 25.317 -0.000) 25.317 10.922 ( -0.000 1.118 0.000) 1.118 11.103 ( -0.000 24.417 0.000) 24.417 11.309 ( -0.000 35.805 0.000) 35.805 11.673 ( -0.000 9.017 0.000) 9.017 11.758 ( -0.000 0.438 -0.000) 0.438 11.990 ( -0.000 13.527 0.000) 13.527 12.460 ( -0.000 16.992 -0.000) 16.992 12.552 ( -0.000 20.691 0.000) 20.691 13.152 ( -0.000 8.417 0.000) 8.417 13.175 ( -0.000 19.769 -0.000) 19.769 13.242 ( -0.000 -15.138 0.000) 15.138 13.370 ( -0.000 -14.113 -0.000) 14.113 13.729 ( -0.000 -7.646 0.000) 7.646 14.738 ( -0.000 -2.167 0.000) 2.167 14.870 ( -0.000 -8.891 0.000) 8.891 17.622 ( -0.000 27.037 0.000) 27.037 18.228 ( -0.000 19.956 -0.000) 19.956 18.264 ( -0.000 9.297 0.000) 9.297 18.503 ( -0.000 8.027 0.000) 8.027 19.193 ( -0.000 8.079 -0.000) 8.079 20.526 ( -0.000 -4.161 0.000) 4.161 21.785 ( -0.000 14.950 0.000) 14.950 21.922 ( -0.000 15.769 0.000) 15.769 22.150 ( -0.000 9.129 0.000) 9.129 22.945 ( -0.000 -4.513 -0.000) 4.513 24.456 ( -0.000 3.712 -0.000) 3.712 24.585 ( -0.000 -10.967 0.000) 10.967 25.712 ( -0.000 -10.159 -0.000) 10.159 26.606 ( -0.000 -21.715 0.000) 21.715 ======================= Grid point 287 (133/140) ======================= q-point: ( 0.00 0.38 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( -0.000 4.185 0.000) 4.185 1.951 ( 0.000 0.203 0.000) 0.203 2.812 ( 0.000 9.342 0.000) 9.342 2.948 ( -0.000 -0.590 0.000) 0.590 3.283 ( 0.000 10.865 0.000) 10.865 3.563 ( 0.000 0.960 0.000) 0.960 3.811 ( -0.000 2.801 0.000) 2.801 3.894 ( 0.000 3.307 -0.000) 3.307 4.025 ( 0.000 11.717 0.000) 11.717 4.394 ( -0.000 -0.843 0.000) 0.843 4.595 ( 0.000 17.152 0.000) 17.152 4.756 ( -0.000 6.057 0.000) 6.057 5.156 ( 0.000 5.410 0.000) 5.410 5.167 ( -0.000 12.944 -0.000) 12.944 5.375 ( -0.000 -3.150 0.000) 3.150 5.510 ( -0.000 5.854 0.000) 5.854 5.632 ( -0.000 0.442 -0.000) 0.442 5.796 ( -0.000 -2.285 0.000) 2.285 5.805 ( 0.000 -1.478 -0.000) 1.478 5.912 ( -0.000 1.463 0.000) 1.463 5.975 ( 0.000 -3.963 0.000) 3.963 6.148 ( -0.000 -1.481 0.000) 1.481 6.238 ( 0.000 -0.495 0.000) 0.495 6.447 ( -0.000 -1.840 0.000) 1.840 6.557 ( -0.000 0.636 0.000) 0.636 6.702 ( 0.000 4.308 0.000) 4.308 7.354 ( 0.000 10.556 -0.000) 10.556 7.356 ( -0.000 9.144 0.000) 9.144 7.498 ( -0.000 3.101 0.000) 3.101 7.636 ( 0.000 1.210 0.000) 1.210 7.679 ( 0.000 6.237 -0.000) 6.237 7.949 ( 0.000 -0.261 0.000) 0.261 8.852 ( 0.000 7.422 0.000) 7.422 8.910 ( 0.000 5.017 0.000) 5.017 9.383 ( -0.000 10.687 0.000) 10.687 9.697 ( 0.000 4.464 0.000) 4.464 9.768 ( 0.000 12.670 -0.000) 12.670 9.847 ( -0.000 8.902 0.000) 8.902 9.973 ( -0.000 3.712 0.000) 3.712 10.196 ( -0.000 -4.392 0.000) 4.392 10.421 ( 0.000 11.153 -0.000) 11.153 10.474 ( -0.000 11.126 0.000) 11.126 10.912 ( -0.000 6.477 0.000) 6.477 11.076 ( -0.000 8.000 0.000) 8.000 11.430 ( -0.000 12.863 0.000) 12.863 11.604 ( 0.000 -7.886 0.000) 7.886 11.734 ( -0.000 -1.907 0.000) 1.907 11.784 ( 0.000 -3.438 0.000) 3.438 12.364 ( 0.000 26.084 0.000) 26.084 12.568 ( -0.000 0.148 0.000) 0.148 12.800 ( 0.000 -13.213 0.000) 13.213 13.080 ( 0.000 -9.919 0.000) 9.919 13.332 ( 0.000 28.230 -0.000) 28.230 13.702 ( -0.000 14.458 0.000) 14.458 13.787 ( 0.000 24.514 -0.000) 24.514 13.793 ( 0.000 32.222 0.000) 32.222 14.654 ( -0.000 2.476 0.000) 2.476 14.798 ( 0.000 -5.700 -0.000) 5.700 18.145 ( 0.000 15.502 0.000) 15.502 18.367 ( 0.000 5.377 0.000) 5.377 18.458 ( 0.000 5.492 0.000) 5.492 18.552 ( 0.000 1.956 0.000) 1.956 19.627 ( 0.000 6.119 0.000) 6.119 20.036 ( -0.000 -4.297 0.000) 4.297 22.026 ( 0.000 12.785 0.000) 12.785 22.057 ( 0.000 12.345 -0.000) 12.345 22.724 ( 0.000 -12.381 -0.000) 12.381 22.754 ( -0.000 -7.316 0.000) 7.316 24.179 ( -0.000 -0.454 0.000) 0.454 24.416 ( 0.000 -2.124 0.000) 2.124 25.643 ( 0.000 -2.682 0.000) 2.682 26.143 ( 0.000 -18.763 0.000) 18.763 ======================= Grid point 289 (134/140) ======================= q-point: ( 0.17 0.38 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( -0.997 4.260 -1.298) 4.564 1.950 ( -0.063 -1.162 0.110) 1.169 2.786 ( -1.568 8.833 0.582) 8.990 2.986 ( 3.007 1.059 -0.099) 3.190 3.244 ( -3.323 10.586 -1.356) 11.178 3.558 ( -1.455 -0.484 2.343) 2.800 3.754 ( -4.040 4.870 -2.543) 6.819 3.915 ( 1.483 3.442 2.233) 4.363 4.028 ( 2.694 12.127 -6.679) 14.104 4.393 ( -1.524 5.565 -3.342) 6.668 4.621 ( 3.736 7.546 0.555) 8.439 4.746 ( -0.673 6.845 -2.059) 7.180 5.073 ( -4.527 9.727 -8.122) 13.456 5.186 ( -4.339 9.988 11.821) 16.072 5.265 ( -10.012 2.179 7.885) 12.929 5.481 ( -7.145 1.363 11.903) 13.950 5.620 ( -0.267 -2.850 5.998) 6.646 5.711 ( -4.949 -1.693 2.472) 5.786 5.790 ( -3.921 -3.364 -2.148) 5.595 5.949 ( 3.833 2.868 -9.617) 10.742 5.999 ( 4.092 0.134 -8.434) 9.375 6.135 ( -0.608 -1.883 -2.460) 3.157 6.273 ( 7.288 -3.016 -5.365) 9.539 6.412 ( -4.118 -3.199 5.608) 7.657 6.613 ( 5.301 1.491 -4.632) 7.196 6.762 ( 3.075 3.435 3.619) 5.861 7.293 ( -4.888 8.770 6.978) 12.227 7.351 ( -3.431 8.722 -6.475) 11.392 7.457 ( 0.165 3.165 1.712) 3.602 7.695 ( 4.772 3.199 -7.010) 9.064 7.770 ( 8.316 5.753 4.614) 11.115 8.043 ( 7.569 0.204 2.098) 7.857 8.838 ( -0.865 7.621 1.225) 7.768 8.941 ( 2.517 4.476 -1.951) 5.493 9.381 ( 0.048 11.064 -1.117) 11.120 9.680 ( -1.604 5.616 0.875) 5.905 9.786 ( 3.369 11.610 -9.007) 15.075 9.860 ( -0.664 7.782 7.693) 10.963 9.949 ( -2.350 5.205 0.392) 5.724 10.185 ( -0.970 -2.014 -0.586) 2.310 10.393 ( -2.972 8.349 4.138) 9.781 10.483 ( 1.106 12.448 -2.699) 12.785 10.917 ( 0.648 6.030 -0.556) 6.090 11.086 ( 0.638 9.147 1.455) 9.284 11.435 ( 0.481 12.691 0.729) 12.721 11.607 ( 0.152 -7.720 1.306) 7.831 11.718 ( -1.971 -1.242 3.532) 4.231 11.798 ( 1.930 -3.308 -5.496) 6.699 12.356 ( -1.006 25.336 1.412) 25.395 12.568 ( 0.237 1.150 -1.059) 1.581 12.794 ( -0.475 -12.372 -0.166) 12.382 13.078 ( -0.094 -10.148 -0.617) 10.168 13.327 ( -0.651 27.712 0.875) 27.734 13.695 ( -0.873 16.453 0.469) 16.483 13.771 ( -0.394 24.948 -4.680) 25.387 13.786 ( -1.475 28.317 3.797) 28.608 14.667 ( 1.124 2.206 0.650) 2.559 14.795 ( -0.195 -4.753 -1.003) 4.861 18.120 ( -1.726 15.921 -1.967) 16.135 18.377 ( 0.805 5.815 0.314) 5.878 18.491 ( 2.868 4.180 0.069) 5.070 18.546 ( -1.239 3.175 3.248) 4.707 19.546 ( -4.998 8.782 -5.332) 11.425 20.141 ( 7.202 -7.082 5.722) 11.609 22.038 ( 1.999 12.449 -4.270) 13.311 22.065 ( -0.053 12.086 4.654) 12.951 22.610 ( -9.500 -6.674 0.965) 11.650 22.779 ( 1.567 -9.437 -2.432) 9.870 24.241 ( 5.519 -2.843 -0.583) 6.235 24.426 ( 0.900 -2.381 0.316) 2.565 25.626 ( -1.446 -2.459 -0.251) 2.863 26.154 ( 1.028 -18.883 0.018) 18.911 ======================= Grid point 290 (135/140) ======================= q-point: ( 0.33 0.38 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( -1.567 4.483 -1.326) 4.931 1.952 ( 0.173 -3.449 0.078) 3.454 2.790 ( 1.802 9.502 1.429) 9.777 3.012 ( -1.604 7.598 -1.826) 7.978 3.205 ( 1.886 6.094 0.435) 6.394 3.481 ( -7.400 -1.153 0.849) 7.537 3.707 ( 0.573 7.222 -0.370) 7.254 3.965 ( 2.560 2.716 3.569) 5.164 4.068 ( 3.044 9.516 -8.864) 13.356 4.338 ( -1.208 6.720 -4.841) 8.370 4.636 ( -2.700 9.476 0.439) 9.863 4.762 ( 2.942 2.149 -2.951) 4.689 4.946 ( -6.097 7.331 -3.927) 10.312 5.067 ( -8.425 11.655 9.450) 17.208 5.155 ( -3.574 6.914 2.014) 8.039 5.334 ( -10.340 -1.966 12.279) 16.172 5.632 ( -0.336 -3.283 -1.909) 3.813 5.675 ( -3.472 -0.314 5.420) 6.445 5.739 ( 2.565 -2.180 -0.017) 3.366 5.949 ( -3.882 -1.872 5.836) 7.255 6.040 ( 5.139 1.266 -13.946) 14.916 6.150 ( 4.350 0.367 -5.520) 7.037 6.365 ( -2.677 -4.850 9.825) 11.279 6.430 ( 8.065 -5.107 -7.084) 11.888 6.672 ( 2.659 1.289 -7.338) 7.910 6.797 ( -1.157 3.480 5.674) 6.756 7.207 ( -4.800 8.575 1.328) 9.917 7.278 ( -2.040 6.815 -0.147) 7.115 7.484 ( 1.587 3.815 -0.190) 4.136 7.766 ( 3.886 0.192 -3.017) 4.923 7.966 ( 8.912 7.663 1.967) 11.917 8.194 ( 5.915 1.636 1.675) 6.362 8.840 ( 0.489 7.563 1.461) 7.719 8.968 ( 0.871 4.199 -2.073) 4.763 9.376 ( -0.077 11.652 -0.975) 11.693 9.651 ( -1.354 6.323 -0.222) 6.470 9.818 ( 3.763 10.712 -10.145) 15.226 9.861 ( -2.536 6.041 6.034) 8.907 9.906 ( -2.208 7.422 3.406) 8.460 10.157 ( -1.470 4.121 0.116) 4.377 10.359 ( -1.709 3.675 2.455) 4.738 10.489 ( 0.357 13.523 -1.157) 13.577 10.930 ( 0.776 5.495 -0.587) 5.580 11.106 ( 0.561 11.345 1.517) 11.460 11.454 ( 0.977 12.186 0.621) 12.241 11.619 ( 0.498 -7.900 0.560) 7.935 11.697 ( -1.423 0.600 3.760) 4.065 11.801 ( 0.629 -2.999 -4.927) 5.802 12.341 ( -1.007 24.444 1.368) 24.502 12.570 ( 0.379 2.653 -1.056) 2.881 12.783 ( -0.468 -11.049 -0.145) 11.059 13.073 ( -0.071 -10.795 -0.719) 10.819 13.316 ( -0.810 27.189 1.150) 27.226 13.673 ( -1.459 21.255 0.803) 21.320 13.750 ( 0.648 20.217 -5.203) 20.886 13.770 ( -1.620 25.328 3.815) 25.665 14.701 ( 1.879 1.130 1.037) 2.425 14.779 ( -1.057 -2.551 -1.378) 3.086 18.080 ( -1.285 16.716 -1.491) 16.831 18.398 ( 1.086 6.008 0.214) 6.109 18.515 ( -0.464 5.406 -2.437) 5.948 18.562 ( 1.308 2.554 5.460) 6.168 19.444 ( -2.935 12.024 -3.839) 12.959 20.292 ( 5.236 -10.664 4.222) 12.608 22.058 ( 1.258 12.579 -2.809) 12.950 22.104 ( 2.584 10.233 3.699) 11.183 22.410 ( -9.920 -0.136 -0.881) 9.960 22.796 ( 0.880 -9.504 -1.134) 9.612 24.346 ( 4.683 -6.180 -0.869) 7.803 24.447 ( 0.865 -2.997 0.549) 3.167 25.596 ( -1.247 -2.098 -0.220) 2.451 26.175 ( 0.872 -19.119 0.008) 19.139 ======================= Grid point 291 (136/140) ======================= q-point: ( 0.50 0.38 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( -0.000 4.812 0.000) 4.812 1.955 ( -0.000 -4.430 0.000) 4.430 2.836 ( -0.000 9.204 0.000) 9.204 2.956 ( -0.000 12.757 0.000) 12.757 3.293 ( 0.000 4.928 -0.000) 4.928 3.345 ( -0.000 -2.446 0.000) 2.446 3.724 ( -0.000 7.489 0.000) 7.489 4.037 ( -0.000 1.998 -0.000) 1.998 4.043 ( 0.000 5.511 0.000) 5.511 4.307 ( -0.000 5.380 -0.000) 5.380 4.640 ( 0.000 11.886 -0.000) 11.886 4.748 ( -0.000 6.234 0.000) 6.234 4.852 ( 0.000 5.825 -0.000) 5.825 5.026 ( -0.000 9.058 -0.000) 9.058 5.119 ( -0.000 10.460 0.000) 10.460 5.253 ( -0.000 -5.509 0.000) 5.509 5.627 ( 0.000 -1.618 -0.000) 1.618 5.646 ( -0.000 2.469 0.000) 2.469 5.775 ( -0.000 -4.568 -0.000) 4.568 5.913 ( -0.000 -3.724 -0.000) 3.724 6.061 ( -0.000 2.003 0.000) 2.003 6.192 ( 0.000 -1.847 -0.000) 1.847 6.392 ( -0.000 -3.410 0.000) 3.410 6.465 ( -0.000 -5.136 -0.000) 5.136 6.687 ( -0.000 0.769 0.000) 0.769 6.789 ( -0.000 3.319 -0.000) 3.319 7.159 ( -0.000 8.726 -0.000) 8.726 7.258 ( -0.000 6.174 0.000) 6.174 7.502 ( -0.000 3.914 -0.000) 3.914 7.801 ( -0.000 -1.595 0.000) 1.595 8.069 ( -0.000 8.000 0.000) 8.000 8.258 ( -0.000 2.491 0.000) 2.491 8.854 ( -0.000 7.176 -0.000) 7.176 8.967 ( -0.000 4.639 0.000) 4.639 9.373 ( -0.000 11.887 0.000) 11.887 9.635 ( -0.000 6.527 0.000) 6.527 9.836 ( -0.000 7.215 -0.000) 7.215 9.844 ( -0.000 10.183 -0.000) 10.183 9.889 ( -0.000 6.531 0.000) 6.531 10.142 ( -0.000 7.382 0.000) 7.382 10.347 ( -0.000 1.508 -0.000) 1.508 10.490 ( -0.000 13.909 0.000) 13.909 10.938 ( -0.000 5.411 -0.000) 5.411 11.115 ( -0.000 12.409 0.000) 12.409 11.467 ( -0.000 11.934 0.000) 11.934 11.625 ( -0.000 -8.501 0.000) 8.501 11.694 ( -0.000 2.208 -0.000) 2.208 11.794 ( -0.000 -3.086 0.000) 3.086 12.333 ( -0.000 24.263 -0.000) 24.263 12.572 ( -0.000 3.180 0.000) 3.180 12.778 ( -0.000 -10.563 -0.000) 10.563 13.071 ( -0.000 -11.212 -0.000) 11.212 13.310 ( -0.000 27.198 0.000) 27.198 13.658 ( -0.000 23.116 -0.000) 23.116 13.751 ( 0.000 12.108 -0.000) 12.108 13.758 ( -0.000 30.124 0.000) 30.124 14.740 ( -0.000 -3.534 -0.000) 3.534 14.747 ( -0.000 2.570 0.000) 2.570 18.064 ( -0.000 17.076 0.000) 17.076 18.412 ( -0.000 5.396 0.000) 5.396 18.500 ( 0.000 7.874 -0.000) 7.874 18.590 ( -0.000 1.155 0.000) 1.155 19.408 ( -0.000 13.170 -0.000) 13.170 20.355 ( -0.000 -12.015 0.000) 12.015 22.064 ( -0.000 12.652 0.000) 12.652 22.170 ( -0.000 8.531 -0.000) 8.531 22.275 ( -0.000 3.453 0.000) 3.453 22.802 ( -0.000 -9.478 -0.000) 9.478 24.393 ( -0.000 -7.340 -0.000) 7.340 24.457 ( -0.000 -3.367 0.000) 3.367 25.583 ( -0.000 -1.973 -0.000) 1.973 26.184 ( -0.000 -19.232 0.000) 19.232 ======================= Grid point 295 (137/140) ======================= q-point: ( 0.00 0.46 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.847 ( -0.000 4.583 0.000) 4.583 1.925 ( 0.000 -2.745 0.000) 2.745 2.924 ( 0.000 2.412 0.000) 2.412 2.942 ( -0.000 -0.100 -0.000) 0.100 3.455 ( 0.000 6.299 -0.000) 6.299 3.546 ( -0.000 -2.686 0.000) 2.686 3.871 ( -0.000 2.825 0.000) 2.825 3.910 ( 0.000 -0.817 -0.000) 0.817 4.229 ( 0.000 7.850 0.000) 7.850 4.347 ( -0.000 -3.948 0.000) 3.948 4.848 ( -0.000 3.272 0.000) 3.272 4.851 ( 0.000 5.294 -0.000) 5.294 5.279 ( -0.000 5.096 0.000) 5.096 5.292 ( 0.000 1.391 -0.000) 1.391 5.368 ( 0.000 6.138 0.000) 6.138 5.622 ( 0.000 -10.865 0.000) 10.865 5.674 ( 0.000 0.043 0.000) 0.043 5.731 ( -0.000 -3.369 0.000) 3.369 5.758 ( 0.000 15.286 -0.000) 15.286 5.914 ( 0.000 -0.337 -0.000) 0.337 5.927 ( 0.000 -1.248 -0.000) 1.248 6.036 ( 0.000 -10.301 0.000) 10.301 6.297 ( -0.000 5.310 0.000) 5.310 6.393 ( -0.000 -3.670 0.000) 3.670 6.622 ( 0.000 4.908 0.000) 4.908 6.711 ( 0.000 -2.836 0.000) 2.836 7.496 ( 0.000 4.275 -0.000) 4.275 7.519 ( -0.000 3.622 0.000) 3.622 7.552 ( 0.000 3.744 -0.000) 3.744 7.632 ( 0.000 -2.145 -0.000) 2.145 7.810 ( 0.000 5.941 -0.000) 5.941 7.908 ( -0.000 -3.585 0.000) 3.585 8.964 ( -0.000 3.226 0.000) 3.226 8.979 ( 0.000 1.594 -0.000) 1.594 9.618 ( -0.000 11.797 0.000) 11.797 9.761 ( 0.000 0.523 -0.000) 0.523 9.942 ( -0.000 3.071 0.000) 3.071 9.971 ( 0.000 0.289 -0.000) 0.289 9.990 ( 0.000 0.247 0.000) 0.247 10.020 ( -0.000 -5.847 0.000) 5.847 10.691 ( 0.000 11.197 -0.000) 11.197 10.701 ( -0.000 9.743 0.000) 9.743 10.970 ( -0.000 0.978 0.000) 0.978 11.065 ( 0.000 -7.635 0.000) 7.635 11.498 ( 0.000 -3.019 0.000) 3.019 11.564 ( 0.000 -9.151 -0.000) 9.151 11.656 ( 0.000 8.060 0.000) 8.060 11.728 ( 0.000 0.511 0.000) 0.511 12.534 ( -0.000 -4.530 0.000) 4.530 12.542 ( 0.000 -8.016 0.000) 8.016 12.809 ( 0.000 14.901 0.000) 14.901 12.965 ( 0.000 -2.811 0.000) 2.811 13.802 ( 0.000 14.511 0.000) 14.511 13.892 ( 0.000 4.689 0.000) 4.689 14.238 ( -0.000 13.672 0.000) 13.672 14.277 ( 0.000 11.728 0.000) 11.728 14.708 ( -0.000 1.789 0.000) 1.789 14.722 ( 0.000 -1.407 -0.000) 1.407 18.367 ( -0.000 6.661 0.000) 6.661 18.428 ( 0.000 0.330 0.000) 0.330 18.534 ( -0.000 2.408 0.000) 2.408 18.564 ( 0.000 -0.563 0.000) 0.563 19.761 ( 0.000 7.281 0.000) 7.281 19.914 ( -0.000 -7.308 0.000) 7.308 22.253 ( 0.000 10.404 0.000) 10.404 22.301 ( 0.000 12.123 -0.000) 12.123 22.475 ( 0.000 -11.732 0.000) 11.732 22.550 ( 0.000 -11.940 0.000) 11.940 24.221 ( -0.000 4.246 0.000) 4.246 24.329 ( 0.000 -5.634 0.000) 5.634 25.660 ( 0.000 4.563 0.000) 4.563 25.829 ( 0.000 -11.993 0.000) 11.993 ======================= Grid point 297 (138/140) ======================= q-point: ( 0.17 0.46 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( -1.268 4.364 -0.894) 4.631 1.909 ( -1.380 -2.986 -0.258) 3.300 2.915 ( 0.306 4.378 -0.415) 4.409 2.977 ( 2.715 -1.776 -0.113) 3.246 3.419 ( -3.233 6.622 -0.132) 7.371 3.519 ( -2.843 -3.370 1.072) 4.538 3.854 ( -0.873 4.570 -1.002) 4.759 3.922 ( 1.036 -1.787 0.299) 2.087 4.254 ( 3.149 9.130 -4.962) 10.858 4.391 ( 3.342 -4.195 -4.638) 7.091 4.780 ( -3.300 5.861 -1.265) 6.844 4.835 ( -1.810 1.031 -3.728) 4.270 5.204 ( -6.502 4.899 0.448) 8.154 5.271 ( -6.964 -1.315 9.427) 11.793 5.371 ( -1.769 8.572 6.229) 10.742 5.557 ( -6.678 -4.695 0.118) 8.164 5.594 ( -9.274 2.882 15.098) 17.952 5.623 ( -2.246 -3.345 6.567) 7.704 5.785 ( -1.128 5.654 -3.500) 6.745 5.941 ( -1.856 -5.461 0.137) 5.769 5.999 ( 9.039 2.200 -14.359) 17.109 6.081 ( 8.303 -4.924 -14.064) 17.058 6.254 ( -1.893 2.908 3.381) 4.845 6.337 ( -4.605 -4.187 3.644) 7.212 6.680 ( 4.200 4.661 -1.452) 6.440 6.766 ( 3.357 -2.793 0.975) 4.475 7.423 ( -5.927 3.812 7.665) 10.412 7.449 ( -6.880 1.175 5.239) 8.727 7.573 ( 3.315 7.118 -8.576) 11.628 7.686 ( 4.030 -3.400 -8.395) 9.913 7.906 ( 8.732 6.350 3.090) 11.230 8.008 ( 8.358 -3.504 2.637) 9.439 8.961 ( -0.045 4.068 0.325) 4.081 8.995 ( 1.348 0.659 -1.016) 1.813 9.619 ( 0.196 11.772 -0.608) 11.789 9.758 ( -0.263 0.879 -0.446) 1.020 9.940 ( -0.814 1.538 2.064) 2.700 9.966 ( 1.761 1.452 -9.020) 9.304 9.996 ( -1.101 0.204 6.717) 6.810 10.024 ( 0.390 -5.301 0.019) 5.316 10.654 ( -2.896 12.393 3.241) 13.133 10.719 ( 0.995 8.061 -2.020) 8.370 10.973 ( 0.518 1.918 -0.034) 1.987 11.093 ( 2.408 -7.537 0.612) 7.936 11.492 ( -0.713 -2.668 1.414) 3.103 11.560 ( -0.618 -8.887 1.579) 9.048 11.667 ( 0.634 7.835 1.616) 8.025 11.737 ( 1.437 0.225 -3.732) 4.005 12.533 ( 0.016 -4.769 0.859) 4.846 12.552 ( 0.498 -7.188 1.299) 7.321 12.801 ( -0.396 14.764 -1.882) 14.889 12.958 ( -0.462 -2.956 -1.101) 3.188 13.796 ( -0.587 14.639 0.352) 14.655 13.888 ( -0.318 4.600 0.160) 4.614 14.202 ( -3.239 13.072 -0.015) 13.467 14.248 ( -2.722 10.419 0.300) 10.773 14.715 ( 0.884 2.444 0.664) 2.683 14.752 ( 2.445 -0.382 -1.472) 2.879 18.356 ( -0.773 7.686 -0.508) 7.741 18.439 ( 0.799 -0.363 0.227) 0.907 18.545 ( 1.198 1.958 -0.751) 2.415 18.573 ( 0.523 -0.326 1.167) 1.320 19.741 ( -1.121 10.477 -1.244) 10.610 19.959 ( 3.234 -10.414 2.369) 11.159 22.252 ( 0.365 9.288 -1.780) 9.464 22.305 ( 0.008 12.115 1.717) 12.236 22.439 ( -3.297 -9.269 -0.466) 9.849 22.556 ( 0.670 -12.188 -0.663) 12.225 24.244 ( 2.090 2.937 0.077) 3.606 24.337 ( 0.718 -5.436 0.202) 5.487 25.653 ( -0.628 5.174 -0.103) 5.214 25.834 ( 0.415 -12.503 0.005) 12.510 ======================= Grid point 298 (139/140) ======================= q-point: ( 0.33 0.46 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( -1.334 4.357 -0.745) 4.618 1.882 ( -1.073 -3.637 -0.126) 3.794 2.946 ( 2.778 6.064 0.092) 6.671 3.038 ( 3.167 -2.738 -0.201) 4.191 3.354 ( -2.665 6.580 0.328) 7.107 3.446 ( -4.898 -2.739 0.857) 5.677 3.853 ( 1.152 6.796 0.221) 6.897 3.960 ( 2.709 -3.107 1.050) 4.254 4.255 ( -1.619 8.306 -7.720) 11.455 4.376 ( -2.006 -2.815 -7.263) 8.044 4.756 ( 0.632 3.333 -1.466) 3.696 4.793 ( 0.367 0.001 -3.892) 3.909 5.074 ( -6.778 5.520 4.568) 9.863 5.164 ( -5.874 -3.131 8.427) 10.738 5.285 ( -6.343 9.030 3.100) 11.462 5.393 ( -8.569 1.652 1.757) 8.901 5.565 ( -0.392 -0.429 5.563) 5.593 5.637 ( -0.925 -4.377 7.908) 9.085 5.755 ( -0.019 4.770 -1.630) 5.041 5.878 ( -3.165 -5.485 1.157) 6.438 6.089 ( 3.525 2.908 -7.194) 8.523 6.142 ( 2.486 -1.541 -9.867) 10.291 6.295 ( 1.813 -0.843 5.833) 6.166 6.335 ( 5.453 -3.881 -2.066) 7.005 6.722 ( 0.842 3.752 -2.880) 4.804 6.800 ( -0.292 -2.826 0.646) 2.913 7.337 ( -4.883 3.975 4.367) 7.663 7.363 ( -3.547 1.430 3.024) 4.876 7.597 ( 2.020 6.641 -3.995) 8.009 7.718 ( 2.200 -4.586 -4.660) 6.898 8.103 ( 8.605 5.502 1.490) 10.322 8.185 ( 7.310 -2.409 1.697) 7.882 8.967 ( 0.431 4.523 0.461) 4.567 9.013 ( 0.776 0.076 -0.943) 1.223 9.618 ( -0.082 11.575 -0.518) 11.587 9.746 ( -0.629 1.482 -0.483) 1.681 9.925 ( -1.208 1.023 1.254) 2.020 9.969 ( 2.459 0.382 -10.363) 10.658 9.997 ( -1.926 1.828 8.598) 8.998 10.031 ( 0.223 -4.665 -0.072) 4.671 10.617 ( -1.868 13.554 2.163) 13.852 10.722 ( 0.074 5.883 -0.716) 5.927 10.990 ( 1.103 3.970 -0.194) 4.125 11.145 ( 2.224 -7.474 0.692) 7.828 11.489 ( -0.143 -2.538 1.400) 2.901 11.554 ( -0.557 -7.701 1.088) 7.798 11.690 ( 0.798 6.157 3.097) 6.938 11.741 ( 0.584 0.728 -4.667) 4.760 12.544 ( 0.558 -4.795 1.142) 4.960 12.565 ( 0.176 -6.170 1.335) 6.315 12.782 ( -0.583 14.649 -2.184) 14.822 12.942 ( -0.575 -3.293 -1.224) 3.560 13.787 ( -0.438 14.922 0.512) 14.938 13.884 ( -0.209 4.482 0.252) 4.494 14.136 ( -2.867 12.322 -0.112) 12.652 14.194 ( -2.420 8.412 0.126) 8.754 14.739 ( 1.019 3.748 0.284) 3.894 14.787 ( 1.537 0.527 -1.006) 1.911 18.340 ( -0.535 9.224 -0.366) 9.247 18.454 ( 0.596 -1.412 0.141) 1.539 18.569 ( 1.523 1.312 -1.297) 2.392 18.587 ( 0.164 0.096 1.665) 1.675 19.721 ( -0.467 14.921 -0.708) 14.946 20.029 ( 2.576 -14.734 1.843) 15.070 22.258 ( 1.106 6.216 -1.499) 6.489 22.312 ( -0.025 12.238 1.617) 12.344 22.362 ( -3.839 -4.089 -0.897) 5.680 22.567 ( 0.602 -12.455 -0.405) 12.476 24.288 ( 2.036 0.554 -0.006) 2.110 24.353 ( 0.662 -5.022 0.260) 5.072 25.640 ( -0.550 6.261 -0.095) 6.285 25.842 ( 0.336 -13.402 -0.001) 13.406 ======================= Grid point 299 (140/140) ======================= q-point: ( 0.50 0.46 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( -0.000 4.566 0.000) 4.566 1.871 ( -0.000 -4.014 0.000) 4.014 2.988 ( -0.000 5.978 0.000) 5.978 3.070 ( -0.000 -1.106 0.000) 1.106 3.351 ( -0.000 2.114 0.000) 2.114 3.363 ( -0.000 1.535 -0.000) 1.535 3.877 ( -0.000 7.617 0.000) 7.617 4.009 ( -0.000 -4.524 -0.000) 4.524 4.189 ( 0.000 7.929 0.000) 7.929 4.320 ( -0.000 -3.846 -0.000) 3.846 4.767 ( 0.000 2.596 -0.000) 2.596 4.798 ( -0.000 -0.379 0.000) 0.379 5.005 ( -0.000 7.821 0.000) 7.821 5.128 ( -0.000 -3.717 0.000) 3.717 5.234 ( -0.000 7.187 0.000) 7.187 5.296 ( -0.000 4.410 0.000) 4.410 5.575 ( 0.000 -1.306 -0.000) 1.306 5.639 ( -0.000 -5.169 -0.000) 5.169 5.757 ( -0.000 4.562 0.000) 4.562 5.851 ( -0.000 -3.560 -0.000) 3.560 6.103 ( -0.000 1.310 0.000) 1.310 6.132 ( -0.000 -2.530 -0.000) 2.530 6.359 ( 0.000 0.178 0.000) 0.178 6.388 ( -0.000 -2.518 -0.000) 2.518 6.718 ( -0.000 2.779 0.000) 2.779 6.788 ( -0.000 -2.946 -0.000) 2.946 7.295 ( -0.000 4.512 -0.000) 4.512 7.333 ( -0.000 0.966 0.000) 0.966 7.612 ( -0.000 6.276 -0.000) 6.276 7.731 ( -0.000 -4.981 0.000) 4.981 8.198 ( -0.000 4.802 -0.000) 4.802 8.265 ( -0.000 -1.661 0.000) 1.661 8.974 ( -0.000 4.327 -0.000) 4.327 9.018 ( -0.000 0.210 0.000) 0.210 9.615 ( -0.000 11.428 0.000) 11.428 9.737 ( -0.000 1.738 0.000) 1.738 9.914 ( -0.000 1.592 -0.000) 1.592 9.973 ( 0.000 -1.914 -0.000) 1.914 9.995 ( -0.000 4.046 0.000) 4.046 10.032 ( -0.000 -4.597 0.000) 4.597 10.603 ( -0.000 13.927 -0.000) 13.927 10.721 ( -0.000 5.039 0.000) 5.039 11.003 ( -0.000 4.926 0.000) 4.926 11.170 ( -0.000 -7.428 -0.000) 7.428 11.493 ( -0.000 -2.811 0.000) 2.811 11.550 ( -0.000 -6.489 -0.000) 6.489 11.717 ( -0.000 2.828 -0.000) 2.828 11.725 ( 0.000 3.163 0.000) 3.163 12.555 ( -0.000 -6.029 0.000) 6.029 12.569 ( -0.000 -4.561 -0.000) 4.561 12.770 ( -0.000 14.696 0.000) 14.696 12.933 ( -0.000 -3.491 -0.000) 3.491 13.784 ( -0.000 15.087 0.000) 15.087 13.882 ( -0.000 4.469 -0.000) 4.469 14.106 ( -0.000 12.071 -0.000) 12.071 14.169 ( -0.000 7.551 0.000) 7.551 14.750 ( -0.000 4.107 0.000) 4.107 14.800 ( -0.000 0.941 0.000) 0.941 18.334 ( -0.000 9.852 -0.000) 9.852 18.460 ( -0.000 -1.859 0.000) 1.859 18.586 ( 0.000 1.360 -0.000) 1.360 18.588 ( -0.000 0.015 0.000) 0.015 19.716 ( -0.000 16.683 -0.000) 16.683 20.060 ( -0.000 -16.462 0.000) 16.462 22.280 ( -0.000 2.862 0.000) 2.862 22.306 ( 0.000 0.878 -0.000) 0.878 22.316 ( -0.000 11.609 -0.000) 11.609 22.573 ( -0.000 -12.545 -0.000) 12.545 24.310 ( -0.000 -0.560 0.000) 0.560 24.361 ( -0.000 -4.787 0.000) 4.787 25.634 ( -0.000 6.746 0.000) 6.746 25.845 ( -0.000 -13.801 0.000) 13.801 =================== 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 3/33696 10.0 91.269 92.410 89.187 0.000 10.533 0.000 3/33696 20.0 17.303 19.351 15.546 0.000 0.485 0.000 3/33696 30.0 7.050 10.392 6.503 0.000 0.048 0.000 3/33696 40.0 4.049 7.137 3.915 0.000 -0.060 0.000 3/33696 50.0 2.787 5.482 2.812 0.000 -0.104 0.000 3/33696 60.0 2.130 4.507 2.232 0.000 -0.126 0.000 3/33696 70.0 1.736 3.888 1.881 0.000 -0.137 0.000 3/33696 80.0 1.475 3.477 1.648 0.000 -0.142 0.000 3/33696 90.0 1.288 3.194 1.482 0.000 -0.144 0.000 3/33696 100.0 1.146 2.991 1.356 0.000 -0.144 0.000 3/33696 110.0 1.036 2.838 1.256 0.000 -0.142 0.000 3/33696 120.0 0.947 2.718 1.175 0.000 -0.140 0.000 3/33696 130.0 0.874 2.619 1.107 0.000 -0.137 0.000 3/33696 140.0 0.813 2.535 1.050 0.000 -0.133 0.000 3/33696 150.0 0.762 2.460 1.000 0.000 -0.130 0.000 3/33696 160.0 0.717 2.392 0.956 0.000 -0.126 0.000 3/33696 170.0 0.679 2.328 0.917 0.000 -0.122 0.000 3/33696 180.0 0.646 2.269 0.883 0.000 -0.119 0.000 3/33696 190.0 0.617 2.213 0.851 0.000 -0.115 0.000 3/33696 200.0 0.592 2.159 0.823 0.000 -0.112 0.000 3/33696 210.0 0.569 2.108 0.797 0.000 -0.109 0.000 3/33696 220.0 0.548 2.058 0.773 0.000 -0.105 0.000 3/33696 230.0 0.529 2.010 0.750 0.000 -0.102 0.000 3/33696 240.0 0.513 1.964 0.730 0.000 -0.100 0.000 3/33696 250.0 0.497 1.920 0.710 0.000 -0.097 0.000 3/33696 260.0 0.483 1.877 0.692 0.000 -0.094 0.000 3/33696 270.0 0.470 1.835 0.675 0.000 -0.092 0.000 3/33696 280.0 0.457 1.795 0.659 0.000 -0.089 0.000 3/33696 290.0 0.446 1.756 0.643 0.000 -0.087 0.000 3/33696 300.0 0.435 1.718 0.629 0.000 -0.085 0.000 3/33696 310.0 0.425 1.682 0.615 0.000 -0.083 0.000 3/33696 320.0 0.415 1.647 0.602 0.000 -0.081 0.000 3/33696 330.0 0.406 1.613 0.589 0.000 -0.079 0.000 3/33696 340.0 0.397 1.580 0.577 0.000 -0.077 0.000 3/33696 350.0 0.389 1.549 0.565 0.000 -0.075 0.000 3/33696 360.0 0.381 1.518 0.554 0.000 -0.074 0.000 3/33696 370.0 0.373 1.488 0.543 0.000 -0.072 0.000 3/33696 380.0 0.366 1.459 0.532 0.000 -0.071 0.000 3/33696 390.0 0.359 1.432 0.522 0.000 -0.069 0.000 3/33696 400.0 0.352 1.405 0.512 0.000 -0.068 0.000 3/33696 410.0 0.346 1.379 0.503 0.000 -0.066 0.000 3/33696 420.0 0.340 1.353 0.494 0.000 -0.065 0.000 3/33696 430.0 0.334 1.329 0.485 0.000 -0.064 0.000 3/33696 440.0 0.328 1.305 0.477 0.000 -0.063 0.000 3/33696 450.0 0.322 1.282 0.468 0.000 -0.061 0.000 3/33696 460.0 0.317 1.260 0.460 0.000 -0.060 0.000 3/33696 470.0 0.312 1.238 0.453 0.000 -0.059 0.000 3/33696 480.0 0.306 1.217 0.445 0.000 -0.058 0.000 3/33696 490.0 0.301 1.197 0.438 0.000 -0.057 0.000 3/33696 500.0 0.297 1.177 0.431 0.000 -0.056 0.000 3/33696 510.0 0.292 1.158 0.424 0.000 -0.055 0.000 3/33696 520.0 0.287 1.140 0.417 0.000 -0.054 0.000 3/33696 530.0 0.283 1.122 0.411 0.000 -0.053 0.000 3/33696 540.0 0.279 1.104 0.405 0.000 -0.052 0.000 3/33696 550.0 0.275 1.087 0.399 0.000 -0.052 0.000 3/33696 560.0 0.271 1.071 0.393 0.000 -0.051 0.000 3/33696 570.0 0.267 1.054 0.387 0.000 -0.050 0.000 3/33696 580.0 0.263 1.039 0.381 0.000 -0.049 0.000 3/33696 590.0 0.259 1.024 0.376 0.000 -0.048 0.000 3/33696 600.0 0.255 1.009 0.370 0.000 -0.048 0.000 3/33696 610.0 0.252 0.994 0.365 0.000 -0.047 0.000 3/33696 620.0 0.248 0.980 0.360 0.000 -0.046 0.000 3/33696 630.0 0.245 0.967 0.355 0.000 -0.046 0.000 3/33696 640.0 0.242 0.953 0.350 0.000 -0.045 0.000 3/33696 650.0 0.239 0.940 0.346 0.000 -0.044 0.000 3/33696 660.0 0.236 0.928 0.341 0.000 -0.044 0.000 3/33696 670.0 0.232 0.915 0.337 0.000 -0.043 0.000 3/33696 680.0 0.230 0.903 0.332 0.000 -0.043 0.000 3/33696 690.0 0.227 0.891 0.328 0.000 -0.042 0.000 3/33696 700.0 0.224 0.880 0.324 0.000 -0.042 0.000 3/33696 710.0 0.221 0.869 0.320 0.000 -0.041 0.000 3/33696 720.0 0.218 0.858 0.316 0.000 -0.040 0.000 3/33696 730.0 0.216 0.847 0.312 0.000 -0.040 0.000 3/33696 740.0 0.213 0.837 0.308 0.000 -0.039 0.000 3/33696 750.0 0.211 0.827 0.305 0.000 -0.039 0.000 3/33696 760.0 0.208 0.817 0.301 0.000 -0.038 0.000 3/33696 770.0 0.206 0.807 0.298 0.000 -0.038 0.000 3/33696 780.0 0.203 0.798 0.294 0.000 -0.038 0.000 3/33696 790.0 0.201 0.788 0.291 0.000 -0.037 0.000 3/33696 800.0 0.199 0.779 0.288 0.000 -0.037 0.000 3/33696 810.0 0.197 0.770 0.284 0.000 -0.036 0.000 3/33696 820.0 0.194 0.762 0.281 0.000 -0.036 0.000 3/33696 830.0 0.192 0.753 0.278 0.000 -0.035 0.000 3/33696 840.0 0.190 0.745 0.275 0.000 -0.035 0.000 3/33696 850.0 0.188 0.737 0.272 0.000 -0.035 0.000 3/33696 860.0 0.186 0.729 0.269 0.000 -0.034 0.000 3/33696 870.0 0.184 0.721 0.266 0.000 -0.034 0.000 3/33696 880.0 0.182 0.713 0.264 0.000 -0.034 0.000 3/33696 890.0 0.181 0.706 0.261 0.000 -0.033 0.000 3/33696 900.0 0.179 0.698 0.258 0.000 -0.033 0.000 3/33696 910.0 0.177 0.691 0.256 0.000 -0.032 0.000 3/33696 920.0 0.175 0.684 0.253 0.000 -0.032 0.000 3/33696 930.0 0.173 0.677 0.250 0.000 -0.032 0.000 3/33696 940.0 0.172 0.671 0.248 0.000 -0.031 0.000 3/33696 950.0 0.170 0.664 0.246 0.000 -0.031 0.000 3/33696 960.0 0.168 0.657 0.243 0.000 -0.031 0.000 3/33696 970.0 0.167 0.651 0.241 0.000 -0.031 0.000 3/33696 980.0 0.165 0.645 0.239 0.000 -0.030 0.000 3/33696 990.0 0.164 0.639 0.236 0.000 -0.030 0.000 3/33696 1000.0 0.162 0.632 0.234 0.000 -0.030 0.000 3/33696 Thermal conductivity related properties were written into "kappa-m6136.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:41:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|