----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 17:48:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Ia-3 (206) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -5.069253235000000 5.069253235000000 5.069253235000000 b 5.069253235000000 -5.069253235000000 5.069253235000000 c 5.069253235000000 5.069253235000000 -5.069253235000000 Atomic positions (fractional): *1 Be 0.99626061850794 0.50423883368109 0.24893588911230 9.012 2 Be 0.50373938149206 0.75267527060436 0.50797821517315 9.012 3 Be 0.99576116631891 0.99202178482685 0.74469705543121 9.012 4 Be 0.75530294456879 0.74732472939564 0.25106411088770 9.012 5 Be 0.25530294456879 0.00423883368109 0.00797821517315 9.012 6 Be 0.50797821517315 0.50373938149206 0.75267527060436 9.012 7 Be 0.74893588911230 0.24469705543121 0.25267527060436 9.012 8 Be 0.24732472939564 0.49202178482685 0.49626061850794 9.012 9 Be 0.25106411088770 0.75530294456879 0.74732472939564 9.012 10 Be 0.49576116631891 0.75106411088770 0.00373938149206 9.012 11 Be 0.00423883368109 0.00797821517315 0.25530294456879 9.012 12 Be 0.75106411088770 0.00373938149206 0.49576116631891 9.012 13 Be 0.24469705543121 0.25267527060436 0.74893588911230 9.012 14 Be 0.50423883368109 0.24893588911230 0.99626061850794 9.012 15 Be 0.74732472939564 0.25106411088770 0.75530294456879 9.012 16 Be 0.25267527060436 0.74893588911230 0.24469705543121 9.012 17 Be 0.00373938149206 0.49576116631891 0.75106411088770 9.012 18 Be 0.99202178482685 0.74469705543121 0.99576116631891 9.012 19 Be 0.74469705543121 0.99576116631892 0.99202178482685 9.012 20 Be 0.24893588911230 0.99626061850794 0.50423883368109 9.012 21 Be 0.75267527060436 0.50797821517315 0.50373938149206 9.012 22 Be 0.49202178482685 0.49626061850794 0.24732472939564 9.012 23 Be 0.49626061850794 0.24732472939564 0.49202178482685 9.012 24 Be 0.00797821517315 0.25530294456879 0.00423883368109 9.012 *25 P 0.25000000000000 0.24525966258921 0.99525966258921 30.974 26 P 0.25000000000000 0.74525966258921 0.49525966258921 30.974 27 P 0.74525966258921 0.49525966258921 0.25000000000000 30.974 28 P 0.75000000000000 0.75474033741079 0.00474033741079 30.974 29 P 0.49525966258921 0.25000000000000 0.74525966258921 30.974 30 P 0.24525966258921 0.99525966258921 0.25000000000000 30.974 31 P 0.99525966258921 0.25000000000000 0.24525966258921 30.974 32 P 0.25474033741079 0.50474033741079 0.75000000000000 30.974 33 P 0.00474033741079 0.75000000000000 0.75474033741079 30.974 *34 P 0.50000000000000 0.50000000000000 0.50000000000000 30.974 35 P 0.75474033741079 0.00474033741079 0.75000000000000 30.974 36 P 0.50000000000000 0.00000000000000 0.00000000000000 30.974 37 P 0.50474033741079 0.75000000000000 0.25474033741079 30.974 38 P 0.75000000000000 0.25474033741079 0.50474033741079 30.974 39 P 0.00000000000000 0.00000000000000 0.50000000000000 30.974 40 P 0.00000000000000 0.50000000000000 0.00000000000000 30.974 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.138506469999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.138506469999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.138506469999999 Atomic positions (fractional): *1 Be 0.87845705214272 0.37047883696958 0.62578178153836 9.012 > 1 2 Be 0.87845705214272 0.62952116303043 0.87421821846164 9.012 > 2 3 Be 0.37047883696958 0.37421821846164 0.62154294785728 9.012 > 3 4 Be 0.12154294785728 0.12952116303042 0.62578178153836 9.012 > 4 5 Be 0.37845705214272 0.62952116303043 0.62578178153836 9.012 > 5 6 Be 0.37421821846164 0.37845705214272 0.12952116303042 9.012 > 6 7 Be 0.37421821846164 0.87845705214272 0.87047883696957 9.012 > 7 8 Be 0.37047883696958 0.12578178153836 0.12154294785728 9.012 > 8 9 Be 0.12578178153836 0.62154294785728 0.62952116303043 9.012 > 9 10 Be 0.12952116303042 0.87421821846164 0.62154294785728 9.012 > 10 11 Be 0.12952116303042 0.12578178153836 0.87845705214272 9.012 > 11 12 Be 0.37421821846164 0.12154294785728 0.62952116303043 9.012 > 12 13 Be 0.37845705214272 0.37047883696958 0.87421821846164 9.012 > 13 14 Be 0.37047883696958 0.62578178153836 0.87845705214272 9.012 > 14 15 Be 0.12952116303042 0.62578178153836 0.12154294785728 9.012 > 15 16 Be 0.37047883696958 0.87421821846164 0.37845705214272 9.012 > 16 17 Be 0.62154294785728 0.12952116303042 0.87421821846164 9.012 > 17 18 Be 0.37421821846164 0.62154294785728 0.37047883696958 9.012 > 18 19 Be 0.12154294785728 0.87047883696957 0.87421821846164 9.012 > 19 20 Be 0.12578178153836 0.37845705214272 0.87047883696957 9.012 > 20 21 Be 0.12952116303042 0.37421821846164 0.37845705214272 9.012 > 21 22 Be 0.12578178153836 0.12154294785728 0.37047883696958 9.012 > 22 23 Be 0.62154294785728 0.87047883696957 0.62578178153836 9.012 > 23 24 Be 0.12578178153836 0.87845705214272 0.12952116303042 9.012 > 24 25 Be 0.37845705214272 0.87047883696957 0.12578178153836 9.012 > 1 26 Be 0.37845705214272 0.12952116303042 0.37421821846164 9.012 > 2 27 Be 0.87047883696957 0.87421821846164 0.12154294785728 9.012 > 3 28 Be 0.62154294785728 0.62952116303043 0.12578178153836 9.012 > 4 29 Be 0.87845705214272 0.12952116303042 0.12578178153836 9.012 > 5 30 Be 0.87421821846164 0.87845705214272 0.62952116303043 9.012 > 6 31 Be 0.87421821846164 0.37845705214272 0.37047883696958 9.012 > 7 32 Be 0.87047883696957 0.62578178153836 0.62154294785728 9.012 > 8 33 Be 0.62578178153836 0.12154294785728 0.12952116303042 9.012 > 9 34 Be 0.62952116303043 0.37421821846164 0.12154294785728 9.012 > 10 35 Be 0.62952116303043 0.62578178153836 0.37845705214272 9.012 > 11 36 Be 0.87421821846164 0.62154294785728 0.12952116303042 9.012 > 12 37 Be 0.87845705214272 0.87047883696957 0.37421821846164 9.012 > 13 38 Be 0.87047883696957 0.12578178153836 0.37845705214272 9.012 > 14 39 Be 0.62952116303043 0.12578178153836 0.62154294785728 9.012 > 15 40 Be 0.87047883696957 0.37421821846164 0.87845705214272 9.012 > 16 41 Be 0.12154294785728 0.62952116303043 0.37421821846164 9.012 > 17 42 Be 0.87421821846164 0.12154294785728 0.87047883696957 9.012 > 18 43 Be 0.62154294785728 0.37047883696958 0.37421821846164 9.012 > 19 44 Be 0.62578178153836 0.87845705214272 0.37047883696958 9.012 > 20 45 Be 0.62952116303043 0.87421821846164 0.87845705214272 9.012 > 21 46 Be 0.62578178153836 0.62154294785728 0.87047883696957 9.012 > 22 47 Be 0.12154294785728 0.37047883696958 0.12578178153836 9.012 > 23 48 Be 0.62578178153836 0.37845705214272 0.62952116303043 9.012 > 24 *49 P 0.49525966258921 0.50000000000000 0.75000000000000 30.974 > 25 50 P 0.99525966258921 0.50000000000000 0.75000000000000 30.974 > 26 51 P 0.00000000000000 0.25000000000000 0.49525966258921 30.974 > 27 52 P 0.00474033741079 0.00000000000000 0.75000000000000 30.974 > 28 53 P 0.25000000000000 0.49525966258921 0.00000000000000 30.974 > 29 54 P 0.00000000000000 0.25000000000000 0.99525966258921 30.974 > 30 55 P 0.75000000000000 0.49525966258921 0.50000000000000 30.974 > 31 56 P 0.50000000000000 0.25000000000000 0.00474033741079 30.974 > 32 57 P 0.75000000000000 0.00474033741079 0.00000000000000 30.974 > 33 *58 P 0.25000000000000 0.25000000000000 0.25000000000000 30.974 > 34 59 P 0.50000000000000 0.25000000000000 0.50474033741079 30.974 > 35 60 P 0.25000000000000 0.75000000000000 0.75000000000000 30.974 > 36 61 P 0.25000000000000 0.00474033741079 0.50000000000000 30.974 > 37 62 P 0.50474033741079 0.00000000000000 0.75000000000000 30.974 > 38 63 P 0.25000000000000 0.25000000000000 0.75000000000000 30.974 > 39 64 P 0.75000000000000 0.25000000000000 0.75000000000000 30.974 > 40 65 P 0.99525966258921 0.00000000000000 0.25000000000000 30.974 > 25 66 P 0.49525966258921 0.00000000000000 0.25000000000000 30.974 > 26 67 P 0.50000000000000 0.75000000000000 0.99525966258921 30.974 > 27 68 P 0.50474033741079 0.50000000000000 0.25000000000000 30.974 > 28 69 P 0.75000000000000 0.99525966258921 0.50000000000000 30.974 > 29 70 P 0.50000000000000 0.75000000000000 0.49525966258921 30.974 > 30 71 P 0.25000000000000 0.99525966258921 0.00000000000000 30.974 > 31 72 P 0.00000000000000 0.75000000000000 0.50474033741079 30.974 > 32 73 P 0.25000000000000 0.50474033741079 0.50000000000000 30.974 > 33 74 P 0.75000000000000 0.75000000000000 0.75000000000000 30.974 > 34 75 P 0.00000000000000 0.75000000000000 0.00474033741079 30.974 > 35 76 P 0.75000000000000 0.25000000000000 0.25000000000000 30.974 > 36 77 P 0.75000000000000 0.50474033741079 0.00000000000000 30.974 > 37 78 P 0.00474033741079 0.50000000000000 0.25000000000000 30.974 > 38 79 P 0.75000000000000 0.75000000000000 0.25000000000000 30.974 > 39 80 P 0.25000000000000 0.75000000000000 0.25000000000000 30.974 > 40 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.138506469999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.138506469999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.138506469999999 Atomic positions (fractional): *1 Be 0.87845705214272 0.37047883696958 0.62578178153836 9.012 > 1 2 Be 0.87845705214272 0.62952116303043 0.87421821846164 9.012 > 2 3 Be 0.37047883696958 0.37421821846164 0.62154294785728 9.012 > 3 4 Be 0.12154294785728 0.12952116303042 0.62578178153836 9.012 > 4 5 Be 0.37845705214272 0.62952116303043 0.62578178153836 9.012 > 5 6 Be 0.37421821846164 0.37845705214272 0.12952116303042 9.012 > 6 7 Be 0.37421821846164 0.87845705214272 0.87047883696957 9.012 > 7 8 Be 0.37047883696958 0.12578178153836 0.12154294785728 9.012 > 8 9 Be 0.12578178153836 0.62154294785728 0.62952116303043 9.012 > 9 10 Be 0.12952116303042 0.87421821846164 0.62154294785728 9.012 > 10 11 Be 0.12952116303042 0.12578178153836 0.87845705214272 9.012 > 11 12 Be 0.37421821846164 0.12154294785728 0.62952116303043 9.012 > 12 13 Be 0.37845705214272 0.37047883696958 0.87421821846164 9.012 > 13 14 Be 0.37047883696958 0.62578178153836 0.87845705214272 9.012 > 14 15 Be 0.12952116303042 0.62578178153836 0.12154294785728 9.012 > 15 16 Be 0.37047883696958 0.87421821846164 0.37845705214272 9.012 > 16 17 Be 0.62154294785728 0.12952116303042 0.87421821846164 9.012 > 17 18 Be 0.37421821846164 0.62154294785728 0.37047883696958 9.012 > 18 19 Be 0.12154294785728 0.87047883696957 0.87421821846164 9.012 > 19 20 Be 0.12578178153836 0.37845705214272 0.87047883696957 9.012 > 20 21 Be 0.12952116303042 0.37421821846164 0.37845705214272 9.012 > 21 22 Be 0.12578178153836 0.12154294785728 0.37047883696958 9.012 > 22 23 Be 0.62154294785728 0.87047883696957 0.62578178153836 9.012 > 23 24 Be 0.12578178153836 0.87845705214272 0.12952116303042 9.012 > 24 25 Be 0.37845705214272 0.87047883696957 0.12578178153836 9.012 > 1 26 Be 0.37845705214272 0.12952116303042 0.37421821846164 9.012 > 2 27 Be 0.87047883696957 0.87421821846164 0.12154294785728 9.012 > 3 28 Be 0.62154294785728 0.62952116303043 0.12578178153836 9.012 > 4 29 Be 0.87845705214272 0.12952116303042 0.12578178153836 9.012 > 5 30 Be 0.87421821846164 0.87845705214272 0.62952116303043 9.012 > 6 31 Be 0.87421821846164 0.37845705214272 0.37047883696958 9.012 > 7 32 Be 0.87047883696957 0.62578178153836 0.62154294785728 9.012 > 8 33 Be 0.62578178153836 0.12154294785728 0.12952116303042 9.012 > 9 34 Be 0.62952116303043 0.37421821846164 0.12154294785728 9.012 > 10 35 Be 0.62952116303043 0.62578178153836 0.37845705214272 9.012 > 11 36 Be 0.87421821846164 0.62154294785728 0.12952116303042 9.012 > 12 37 Be 0.87845705214272 0.87047883696957 0.37421821846164 9.012 > 13 38 Be 0.87047883696957 0.12578178153836 0.37845705214272 9.012 > 14 39 Be 0.62952116303043 0.12578178153836 0.62154294785728 9.012 > 15 40 Be 0.87047883696957 0.37421821846164 0.87845705214272 9.012 > 16 41 Be 0.12154294785728 0.62952116303043 0.37421821846164 9.012 > 17 42 Be 0.87421821846164 0.12154294785728 0.87047883696957 9.012 > 18 43 Be 0.62154294785728 0.37047883696958 0.37421821846164 9.012 > 19 44 Be 0.62578178153836 0.87845705214272 0.37047883696958 9.012 > 20 45 Be 0.62952116303043 0.87421821846164 0.87845705214272 9.012 > 21 46 Be 0.62578178153836 0.62154294785728 0.87047883696957 9.012 > 22 47 Be 0.12154294785728 0.37047883696958 0.12578178153836 9.012 > 23 48 Be 0.62578178153836 0.37845705214272 0.62952116303043 9.012 > 24 *49 P 0.49525966258921 0.50000000000000 0.75000000000000 30.974 > 25 50 P 0.99525966258921 0.50000000000000 0.75000000000000 30.974 > 26 51 P 0.00000000000000 0.25000000000000 0.49525966258921 30.974 > 27 52 P 0.00474033741079 0.00000000000000 0.75000000000000 30.974 > 28 53 P 0.25000000000000 0.49525966258921 0.00000000000000 30.974 > 29 54 P 0.00000000000000 0.25000000000000 0.99525966258921 30.974 > 30 55 P 0.75000000000000 0.49525966258921 0.50000000000000 30.974 > 31 56 P 0.50000000000000 0.25000000000000 0.00474033741079 30.974 > 32 57 P 0.75000000000000 0.00474033741079 0.00000000000000 30.974 > 33 *58 P 0.25000000000000 0.25000000000000 0.25000000000000 30.974 > 34 59 P 0.50000000000000 0.25000000000000 0.50474033741079 30.974 > 35 60 P 0.25000000000000 0.75000000000000 0.75000000000000 30.974 > 36 61 P 0.25000000000000 0.00474033741079 0.50000000000000 30.974 > 37 62 P 0.50474033741079 0.00000000000000 0.75000000000000 30.974 > 38 63 P 0.25000000000000 0.25000000000000 0.75000000000000 30.974 > 39 64 P 0.75000000000000 0.25000000000000 0.75000000000000 30.974 > 40 65 P 0.99525966258921 0.00000000000000 0.25000000000000 30.974 > 25 66 P 0.49525966258921 0.00000000000000 0.25000000000000 30.974 > 26 67 P 0.50000000000000 0.75000000000000 0.99525966258921 30.974 > 27 68 P 0.50474033741079 0.50000000000000 0.25000000000000 30.974 > 28 69 P 0.75000000000000 0.99525966258921 0.50000000000000 30.974 > 29 70 P 0.50000000000000 0.75000000000000 0.49525966258921 30.974 > 30 71 P 0.25000000000000 0.99525966258921 0.00000000000000 30.974 > 31 72 P 0.00000000000000 0.75000000000000 0.50474033741079 30.974 > 32 73 P 0.25000000000000 0.50474033741079 0.50000000000000 30.974 > 33 74 P 0.75000000000000 0.75000000000000 0.75000000000000 30.974 > 34 75 P 0.00000000000000 0.75000000000000 0.00474033741079 30.974 > 35 76 P 0.75000000000000 0.25000000000000 0.25000000000000 30.974 > 36 77 P 0.75000000000000 0.50474033741079 0.00000000000000 30.974 > 37 78 P 0.00474033741079 0.50000000000000 0.25000000000000 30.974 > 38 79 P 0.75000000000000 0.75000000000000 0.25000000000000 30.974 > 39 80 P 0.25000000000000 0.75000000000000 0.25000000000000 30.974 > 40 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.3320027 0.0000000 0.0000000 0.0000000 10.3320027 0.0000000 0.0000000 0.0000000 10.3320027 -------------------------- Born effective charges -------------------------- 1 Be 1.5797065 -0.2436529 -0.2933900 -0.0818153 1.5573300 -0.0159163 -0.2988905 -0.0058092 2.0367766 2 Be 1.5797065 0.2436529 0.2933900 0.0818153 1.5573300 -0.0159163 0.2988905 -0.0058092 2.0367766 3 Be 1.5573300 0.0159163 0.0818153 0.0058092 2.0367766 -0.2988905 0.2436529 -0.2933900 1.5797065 4 Be 1.5797065 -0.2436529 0.2933900 -0.0818153 1.5573300 0.0159163 0.2988905 0.0058092 2.0367766 5 Be 1.5797065 0.2436529 -0.2933900 0.0818153 1.5573300 0.0159163 -0.2988905 0.0058092 2.0367766 6 Be 2.0367766 0.2988905 -0.0058092 0.2933900 1.5797065 0.2436529 -0.0159163 0.0818153 1.5573300 7 Be 2.0367766 0.2988905 0.0058092 0.2933900 1.5797065 -0.2436529 0.0159163 -0.0818153 1.5573300 8 Be 1.5573300 -0.0159163 0.0818153 -0.0058092 2.0367766 0.2988905 0.2436529 0.2933900 1.5797065 9 Be 2.0367766 0.2988905 0.0058092 0.2933900 1.5797065 -0.2436529 0.0159163 -0.0818153 1.5573300 10 Be 1.5573300 -0.0159163 -0.0818153 -0.0058092 2.0367766 -0.2988905 -0.2436529 -0.2933900 1.5797065 11 Be 1.5573300 0.0159163 0.0818153 0.0058092 2.0367766 -0.2988905 0.2436529 -0.2933900 1.5797065 12 Be 2.0367766 -0.2988905 -0.0058092 -0.2933900 1.5797065 -0.2436529 -0.0159163 -0.0818153 1.5573300 13 Be 1.5797065 -0.2436529 0.2933900 -0.0818153 1.5573300 0.0159163 0.2988905 0.0058092 2.0367766 14 Be 1.5573300 -0.0159163 -0.0818153 -0.0058092 2.0367766 -0.2988905 -0.2436529 -0.2933900 1.5797065 15 Be 1.5573300 0.0159163 -0.0818153 0.0058092 2.0367766 0.2988905 -0.2436529 0.2933900 1.5797065 16 Be 1.5573300 0.0159163 -0.0818153 0.0058092 2.0367766 0.2988905 -0.2436529 0.2933900 1.5797065 17 Be 1.5797065 -0.2436529 -0.2933900 -0.0818153 1.5573300 -0.0159163 -0.2988905 -0.0058092 2.0367766 18 Be 2.0367766 -0.2988905 0.0058092 -0.2933900 1.5797065 0.2436529 0.0159163 0.0818153 1.5573300 19 Be 1.5797065 0.2436529 -0.2933900 0.0818153 1.5573300 0.0159163 -0.2988905 0.0058092 2.0367766 20 Be 2.0367766 -0.2988905 -0.0058092 -0.2933900 1.5797065 -0.2436529 -0.0159163 -0.0818153 1.5573300 21 Be 1.5573300 -0.0159163 0.0818153 -0.0058092 2.0367766 0.2988905 0.2436529 0.2933900 1.5797065 22 Be 2.0367766 0.2988905 -0.0058092 0.2933900 1.5797065 0.2436529 -0.0159163 0.0818153 1.5573300 23 Be 1.5797065 0.2436529 0.2933900 0.0818153 1.5573300 -0.0159163 0.2988905 -0.0058092 2.0367766 24 Be 2.0367766 -0.2988905 0.0058092 -0.2933900 1.5797065 0.2436529 0.0159163 0.0818153 1.5573300 25 P -2.2892969 -0.0000000 0.0000000 0.0000000 -2.6199704 -0.8799977 0.0000000 -0.6356473 -2.4949252 26 P -2.2892969 -0.0000000 0.0000000 0.0000000 -2.6199704 0.8799977 0.0000000 0.6356473 -2.4949252 27 P -2.6199704 0.8799977 0.0000000 0.6356473 -2.4949252 -0.0000000 0.0000000 0.0000000 -2.2892969 28 P -2.2892969 -0.0000000 0.0000000 0.0000000 -2.6199704 -0.8799977 0.0000000 -0.6356473 -2.4949252 29 P -2.4949252 -0.0000000 0.6356473 0.0000000 -2.2892969 -0.0000000 0.8799977 0.0000000 -2.6199704 30 P -2.6199704 -0.8799977 0.0000000 -0.6356473 -2.4949252 -0.0000000 0.0000000 0.0000000 -2.2892969 31 P -2.4949252 -0.0000000 -0.6356473 0.0000000 -2.2892969 -0.0000000 -0.8799977 0.0000000 -2.6199704 32 P -2.6199704 0.8799977 0.0000000 0.6356473 -2.4949252 -0.0000000 0.0000000 0.0000000 -2.2892969 33 P -2.4949252 -0.0000000 -0.6356473 0.0000000 -2.2892969 -0.0000000 -0.8799977 0.0000000 -2.6199704 34 P -2.9434337 0.3390657 0.8196143 0.8196143 -2.9434337 0.3390657 0.3390657 0.8196143 -2.9434337 35 P -2.6199704 -0.8799977 0.0000000 -0.6356473 -2.4949252 -0.0000000 0.0000000 0.0000000 -2.2892969 36 P -2.9434337 0.3390657 -0.8196143 0.8196143 -2.9434337 -0.3390657 -0.3390657 -0.8196143 -2.9434337 37 P -2.4949252 -0.0000000 0.6356473 0.0000000 -2.2892969 -0.0000000 0.8799977 0.0000000 -2.6199704 38 P -2.2892969 -0.0000000 0.0000000 0.0000000 -2.6199704 0.8799977 0.0000000 0.6356473 -2.4949252 39 P -2.9434337 -0.3390657 0.8196143 -0.8196143 -2.9434337 -0.3390657 0.3390657 -0.8196143 -2.9434337 40 P -2.9434337 -0.3390657 -0.8196143 -0.8196143 -2.9434337 0.3390657 -0.3390657 0.8196143 -2.9434337 ---------------------------------------------------------------------------- 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: 240/240 Permutation basis: 18084/18084 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 648 Number of blocks in projector: 648 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 2 --- Eigsh_solver_block: 1 / 2 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 2 --- Block_size: 248 Use standard eigh solver. Tree of FC basis block matrices: - (648, 631), data: False |-- (248, 241), data: True |-- (400, 390), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 240 - Time: 0.447 Solver_block: 200 / 240 - Time: 0.440 Solver_block: 240 / 240 - Time: 0.222 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.118 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 240/240 Permutation basis: 18084/18084 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 648 Number of blocks in projector: 648 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 2 --- Eigsh_solver_block: 1 / 2 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 2 --- Block_size: 248 Use standard eigh solver. Tree of FC basis block matrices: - (648, 631), data: False |-- (248, 241), data: True |-- (400, 390), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 17:48:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 17:48:58]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Ia-3 (206) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -5.069253235000000 5.069253235000000 5.069253235000000 b 5.069253235000000 -5.069253235000000 5.069253235000000 c 5.069253235000000 5.069253235000000 -5.069253235000000 Atomic positions (fractional): 1 Be 0.99626061850794 0.50423883368109 0.24893588911230 9.012 2 Be 0.50373938149206 0.75267527060436 0.50797821517315 9.012 3 Be 0.99576116631891 0.99202178482685 0.74469705543121 9.012 4 Be 0.75530294456879 0.74732472939564 0.25106411088770 9.012 5 Be 0.25530294456879 0.00423883368109 0.00797821517315 9.012 6 Be 0.50797821517315 0.50373938149206 0.75267527060436 9.012 7 Be 0.74893588911230 0.24469705543121 0.25267527060436 9.012 8 Be 0.24732472939564 0.49202178482685 0.49626061850794 9.012 9 Be 0.25106411088770 0.75530294456879 0.74732472939564 9.012 10 Be 0.49576116631891 0.75106411088770 0.00373938149206 9.012 11 Be 0.00423883368109 0.00797821517315 0.25530294456879 9.012 12 Be 0.75106411088770 0.00373938149206 0.49576116631891 9.012 13 Be 0.24469705543121 0.25267527060436 0.74893588911230 9.012 14 Be 0.50423883368109 0.24893588911230 0.99626061850794 9.012 15 Be 0.74732472939564 0.25106411088770 0.75530294456879 9.012 16 Be 0.25267527060436 0.74893588911230 0.24469705543121 9.012 17 Be 0.00373938149206 0.49576116631891 0.75106411088770 9.012 18 Be 0.99202178482685 0.74469705543121 0.99576116631891 9.012 19 Be 0.74469705543121 0.99576116631892 0.99202178482685 9.012 20 Be 0.24893588911230 0.99626061850794 0.50423883368109 9.012 21 Be 0.75267527060436 0.50797821517315 0.50373938149206 9.012 22 Be 0.49202178482685 0.49626061850794 0.24732472939564 9.012 23 Be 0.49626061850794 0.24732472939564 0.49202178482685 9.012 24 Be 0.00797821517315 0.25530294456879 0.00423883368109 9.012 25 P 0.25000000000000 0.24525966258921 0.99525966258921 30.974 26 P 0.25000000000000 0.74525966258921 0.49525966258921 30.974 27 P 0.74525966258921 0.49525966258921 0.25000000000000 30.974 28 P 0.75000000000000 0.75474033741079 0.00474033741079 30.974 29 P 0.49525966258921 0.25000000000000 0.74525966258921 30.974 30 P 0.24525966258921 0.99525966258921 0.25000000000000 30.974 31 P 0.99525966258921 0.25000000000000 0.24525966258921 30.974 32 P 0.25474033741079 0.50474033741079 0.75000000000000 30.974 33 P 0.00474033741079 0.75000000000000 0.75474033741079 30.974 34 P 0.50000000000000 0.50000000000000 0.50000000000000 30.974 35 P 0.75474033741079 0.00474033741079 0.75000000000000 30.974 36 P 0.50000000000000 0.00000000000000 0.00000000000000 30.974 37 P 0.50474033741079 0.75000000000000 0.25474033741079 30.974 38 P 0.75000000000000 0.25474033741079 0.50474033741079 30.974 39 P 0.00000000000000 0.00000000000000 0.50000000000000 30.974 40 P 0.00000000000000 0.50000000000000 0.00000000000000 30.974 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.138506469999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.138506469999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.138506469999999 Atomic positions (fractional): 1 Be 0.87845705214272 0.37047883696958 0.62578178153836 9.012 > 1 2 Be 0.87845705214272 0.62952116303043 0.87421821846164 9.012 > 2 3 Be 0.37047883696958 0.37421821846164 0.62154294785728 9.012 > 3 4 Be 0.12154294785728 0.12952116303042 0.62578178153836 9.012 > 4 5 Be 0.37845705214272 0.62952116303043 0.62578178153836 9.012 > 5 6 Be 0.37421821846164 0.37845705214272 0.12952116303042 9.012 > 6 7 Be 0.37421821846164 0.87845705214272 0.87047883696957 9.012 > 7 8 Be 0.37047883696958 0.12578178153836 0.12154294785728 9.012 > 8 9 Be 0.12578178153836 0.62154294785728 0.62952116303043 9.012 > 9 10 Be 0.12952116303042 0.87421821846164 0.62154294785728 9.012 > 10 11 Be 0.12952116303042 0.12578178153836 0.87845705214272 9.012 > 11 12 Be 0.37421821846164 0.12154294785728 0.62952116303043 9.012 > 12 13 Be 0.37845705214272 0.37047883696958 0.87421821846164 9.012 > 13 14 Be 0.37047883696958 0.62578178153836 0.87845705214272 9.012 > 14 15 Be 0.12952116303042 0.62578178153836 0.12154294785728 9.012 > 15 16 Be 0.37047883696958 0.87421821846164 0.37845705214272 9.012 > 16 17 Be 0.62154294785728 0.12952116303042 0.87421821846164 9.012 > 17 18 Be 0.37421821846164 0.62154294785728 0.37047883696958 9.012 > 18 19 Be 0.12154294785728 0.87047883696957 0.87421821846164 9.012 > 19 20 Be 0.12578178153836 0.37845705214272 0.87047883696957 9.012 > 20 21 Be 0.12952116303042 0.37421821846164 0.37845705214272 9.012 > 21 22 Be 0.12578178153836 0.12154294785728 0.37047883696958 9.012 > 22 23 Be 0.62154294785728 0.87047883696957 0.62578178153836 9.012 > 23 24 Be 0.12578178153836 0.87845705214272 0.12952116303042 9.012 > 24 25 Be 0.37845705214272 0.87047883696957 0.12578178153836 9.012 > 1 26 Be 0.37845705214272 0.12952116303042 0.37421821846164 9.012 > 2 27 Be 0.87047883696957 0.87421821846164 0.12154294785728 9.012 > 3 28 Be 0.62154294785728 0.62952116303043 0.12578178153836 9.012 > 4 29 Be 0.87845705214272 0.12952116303042 0.12578178153836 9.012 > 5 30 Be 0.87421821846164 0.87845705214272 0.62952116303043 9.012 > 6 31 Be 0.87421821846164 0.37845705214272 0.37047883696958 9.012 > 7 32 Be 0.87047883696957 0.62578178153836 0.62154294785728 9.012 > 8 33 Be 0.62578178153836 0.12154294785728 0.12952116303042 9.012 > 9 34 Be 0.62952116303043 0.37421821846164 0.12154294785728 9.012 > 10 35 Be 0.62952116303043 0.62578178153836 0.37845705214272 9.012 > 11 36 Be 0.87421821846164 0.62154294785728 0.12952116303042 9.012 > 12 37 Be 0.87845705214272 0.87047883696957 0.37421821846164 9.012 > 13 38 Be 0.87047883696957 0.12578178153836 0.37845705214272 9.012 > 14 39 Be 0.62952116303043 0.12578178153836 0.62154294785728 9.012 > 15 40 Be 0.87047883696957 0.37421821846164 0.87845705214272 9.012 > 16 41 Be 0.12154294785728 0.62952116303043 0.37421821846164 9.012 > 17 42 Be 0.87421821846164 0.12154294785728 0.87047883696957 9.012 > 18 43 Be 0.62154294785728 0.37047883696958 0.37421821846164 9.012 > 19 44 Be 0.62578178153836 0.87845705214272 0.37047883696958 9.012 > 20 45 Be 0.62952116303043 0.87421821846164 0.87845705214272 9.012 > 21 46 Be 0.62578178153836 0.62154294785728 0.87047883696957 9.012 > 22 47 Be 0.12154294785728 0.37047883696958 0.12578178153836 9.012 > 23 48 Be 0.62578178153836 0.37845705214272 0.62952116303043 9.012 > 24 49 P 0.49525966258921 0.50000000000000 0.75000000000000 30.974 > 49 50 P 0.99525966258921 0.50000000000000 0.75000000000000 30.974 > 50 51 P 0.00000000000000 0.25000000000000 0.49525966258921 30.974 > 51 52 P 0.00474033741079 0.00000000000000 0.75000000000000 30.974 > 52 53 P 0.25000000000000 0.49525966258921 0.00000000000000 30.974 > 53 54 P 0.00000000000000 0.25000000000000 0.99525966258921 30.974 > 54 55 P 0.75000000000000 0.49525966258921 0.50000000000000 30.974 > 55 56 P 0.50000000000000 0.25000000000000 0.00474033741079 30.974 > 56 57 P 0.75000000000000 0.00474033741079 0.00000000000000 30.974 > 57 58 P 0.25000000000000 0.25000000000000 0.25000000000000 30.974 > 58 59 P 0.50000000000000 0.25000000000000 0.50474033741079 30.974 > 59 60 P 0.25000000000000 0.75000000000000 0.75000000000000 30.974 > 60 61 P 0.25000000000000 0.00474033741079 0.50000000000000 30.974 > 61 62 P 0.50474033741079 0.00000000000000 0.75000000000000 30.974 > 62 63 P 0.25000000000000 0.25000000000000 0.75000000000000 30.974 > 63 64 P 0.75000000000000 0.25000000000000 0.75000000000000 30.974 > 64 65 P 0.99525966258921 0.00000000000000 0.25000000000000 30.974 > 49 66 P 0.49525966258921 0.00000000000000 0.25000000000000 30.974 > 50 67 P 0.50000000000000 0.75000000000000 0.99525966258921 30.974 > 51 68 P 0.50474033741079 0.50000000000000 0.25000000000000 30.974 > 52 69 P 0.75000000000000 0.99525966258921 0.50000000000000 30.974 > 53 70 P 0.50000000000000 0.75000000000000 0.49525966258921 30.974 > 54 71 P 0.25000000000000 0.99525966258921 0.00000000000000 30.974 > 55 72 P 0.00000000000000 0.75000000000000 0.50474033741079 30.974 > 56 73 P 0.25000000000000 0.50474033741079 0.50000000000000 30.974 > 57 74 P 0.75000000000000 0.75000000000000 0.75000000000000 30.974 > 58 75 P 0.00000000000000 0.75000000000000 0.00474033741079 30.974 > 59 76 P 0.75000000000000 0.25000000000000 0.25000000000000 30.974 > 60 77 P 0.75000000000000 0.50474033741079 0.00000000000000 30.974 > 61 78 P 0.00474033741079 0.50000000000000 0.25000000000000 30.974 > 62 79 P 0.75000000000000 0.75000000000000 0.25000000000000 30.974 > 63 80 P 0.25000000000000 0.75000000000000 0.25000000000000 30.974 > 64 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.3320027 0.0000000 0.0000000 0.0000000 10.3320027 0.0000000 0.0000000 0.0000000 10.3320027 -------------------------- Born effective charges -------------------------- 1 Be 1.5797065 -0.2436529 -0.2933900 -0.0818153 1.5573300 -0.0159163 -0.2988905 -0.0058092 2.0367766 2 Be 1.5797065 0.2436529 0.2933900 0.0818153 1.5573300 -0.0159163 0.2988905 -0.0058092 2.0367766 3 Be 1.5573300 0.0159163 0.0818153 0.0058092 2.0367766 -0.2988905 0.2436529 -0.2933900 1.5797065 4 Be 1.5797065 -0.2436529 0.2933900 -0.0818153 1.5573300 0.0159163 0.2988905 0.0058092 2.0367766 5 Be 1.5797065 0.2436529 -0.2933900 0.0818153 1.5573300 0.0159163 -0.2988905 0.0058092 2.0367766 6 Be 2.0367766 0.2988905 -0.0058092 0.2933900 1.5797065 0.2436529 -0.0159163 0.0818153 1.5573300 7 Be 2.0367766 0.2988905 0.0058092 0.2933900 1.5797065 -0.2436529 0.0159163 -0.0818153 1.5573300 8 Be 1.5573300 -0.0159163 0.0818153 -0.0058092 2.0367766 0.2988905 0.2436529 0.2933900 1.5797065 9 Be 2.0367766 0.2988905 0.0058092 0.2933900 1.5797065 -0.2436529 0.0159163 -0.0818153 1.5573300 10 Be 1.5573300 -0.0159163 -0.0818153 -0.0058092 2.0367766 -0.2988905 -0.2436529 -0.2933900 1.5797065 11 Be 1.5573300 0.0159163 0.0818153 0.0058092 2.0367766 -0.2988905 0.2436529 -0.2933900 1.5797065 12 Be 2.0367766 -0.2988905 -0.0058092 -0.2933900 1.5797065 -0.2436529 -0.0159163 -0.0818153 1.5573300 13 Be 1.5797065 -0.2436529 0.2933900 -0.0818153 1.5573300 0.0159163 0.2988905 0.0058092 2.0367766 14 Be 1.5573300 -0.0159163 -0.0818153 -0.0058092 2.0367766 -0.2988905 -0.2436529 -0.2933900 1.5797065 15 Be 1.5573300 0.0159163 -0.0818153 0.0058092 2.0367766 0.2988905 -0.2436529 0.2933900 1.5797065 16 Be 1.5573300 0.0159163 -0.0818153 0.0058092 2.0367766 0.2988905 -0.2436529 0.2933900 1.5797065 17 Be 1.5797065 -0.2436529 -0.2933900 -0.0818153 1.5573300 -0.0159163 -0.2988905 -0.0058092 2.0367766 18 Be 2.0367766 -0.2988905 0.0058092 -0.2933900 1.5797065 0.2436529 0.0159163 0.0818153 1.5573300 19 Be 1.5797065 0.2436529 -0.2933900 0.0818153 1.5573300 0.0159163 -0.2988905 0.0058092 2.0367766 20 Be 2.0367766 -0.2988905 -0.0058092 -0.2933900 1.5797065 -0.2436529 -0.0159163 -0.0818153 1.5573300 21 Be 1.5573300 -0.0159163 0.0818153 -0.0058092 2.0367766 0.2988905 0.2436529 0.2933900 1.5797065 22 Be 2.0367766 0.2988905 -0.0058092 0.2933900 1.5797065 0.2436529 -0.0159163 0.0818153 1.5573300 23 Be 1.5797065 0.2436529 0.2933900 0.0818153 1.5573300 -0.0159163 0.2988905 -0.0058092 2.0367766 24 Be 2.0367766 -0.2988905 0.0058092 -0.2933900 1.5797065 0.2436529 0.0159163 0.0818153 1.5573300 25 P -2.2892969 -0.0000000 0.0000000 0.0000000 -2.6199704 -0.8799977 0.0000000 -0.6356473 -2.4949252 26 P -2.2892969 -0.0000000 0.0000000 0.0000000 -2.6199704 0.8799977 0.0000000 0.6356473 -2.4949252 27 P -2.6199704 0.8799977 0.0000000 0.6356473 -2.4949252 -0.0000000 0.0000000 0.0000000 -2.2892969 28 P -2.2892969 -0.0000000 0.0000000 0.0000000 -2.6199704 -0.8799977 0.0000000 -0.6356473 -2.4949252 29 P -2.4949252 -0.0000000 0.6356473 0.0000000 -2.2892969 -0.0000000 0.8799977 0.0000000 -2.6199704 30 P -2.6199704 -0.8799977 0.0000000 -0.6356473 -2.4949252 -0.0000000 0.0000000 0.0000000 -2.2892969 31 P -2.4949252 -0.0000000 -0.6356473 0.0000000 -2.2892969 -0.0000000 -0.8799977 0.0000000 -2.6199704 32 P -2.6199704 0.8799977 0.0000000 0.6356473 -2.4949252 -0.0000000 0.0000000 0.0000000 -2.2892969 33 P -2.4949252 -0.0000000 -0.6356473 0.0000000 -2.2892969 -0.0000000 -0.8799977 0.0000000 -2.6199704 34 P -2.9434337 0.3390657 0.8196143 0.8196143 -2.9434337 0.3390657 0.3390657 0.8196143 -2.9434337 35 P -2.6199704 -0.8799977 0.0000000 -0.6356473 -2.4949252 -0.0000000 0.0000000 0.0000000 -2.2892969 36 P -2.9434337 0.3390657 -0.8196143 0.8196143 -2.9434337 -0.3390657 -0.3390657 -0.8196143 -2.9434337 37 P -2.4949252 -0.0000000 0.6356473 0.0000000 -2.2892969 -0.0000000 0.8799977 0.0000000 -2.6199704 38 P -2.2892969 -0.0000000 0.0000000 0.0000000 -2.6199704 0.8799977 0.0000000 0.6356473 -2.4949252 39 P -2.9434337 -0.3390657 0.8196143 -0.8196143 -2.9434337 -0.3390657 0.3390657 -0.8196143 -2.9434337 40 P -2.9434337 -0.3390657 -0.8196143 -0.8196143 -2.9434337 0.3390657 -0.3390657 0.8196143 -2.9434337 ---------------------------------------------------------------------------- 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 58, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yz) 0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 17:49:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 17:49:09]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Ia-3 (206) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -5.069253235000000 5.069253235000000 5.069253235000000 b 5.069253235000000 -5.069253235000000 5.069253235000000 c 5.069253235000000 5.069253235000000 -5.069253235000000 Atomic positions (fractional): 1 Be 0.99626061850794 0.50423883368109 0.24893588911230 9.012 2 Be 0.50373938149206 0.75267527060436 0.50797821517315 9.012 3 Be 0.99576116631891 0.99202178482685 0.74469705543121 9.012 4 Be 0.75530294456879 0.74732472939564 0.25106411088770 9.012 5 Be 0.25530294456879 0.00423883368109 0.00797821517315 9.012 6 Be 0.50797821517315 0.50373938149206 0.75267527060436 9.012 7 Be 0.74893588911230 0.24469705543121 0.25267527060436 9.012 8 Be 0.24732472939564 0.49202178482685 0.49626061850794 9.012 9 Be 0.25106411088770 0.75530294456879 0.74732472939564 9.012 10 Be 0.49576116631891 0.75106411088770 0.00373938149206 9.012 11 Be 0.00423883368109 0.00797821517315 0.25530294456879 9.012 12 Be 0.75106411088770 0.00373938149206 0.49576116631891 9.012 13 Be 0.24469705543121 0.25267527060436 0.74893588911230 9.012 14 Be 0.50423883368109 0.24893588911230 0.99626061850794 9.012 15 Be 0.74732472939564 0.25106411088770 0.75530294456879 9.012 16 Be 0.25267527060436 0.74893588911230 0.24469705543121 9.012 17 Be 0.00373938149206 0.49576116631891 0.75106411088770 9.012 18 Be 0.99202178482685 0.74469705543121 0.99576116631891 9.012 19 Be 0.74469705543121 0.99576116631892 0.99202178482685 9.012 20 Be 0.24893588911230 0.99626061850794 0.50423883368109 9.012 21 Be 0.75267527060436 0.50797821517315 0.50373938149206 9.012 22 Be 0.49202178482685 0.49626061850794 0.24732472939564 9.012 23 Be 0.49626061850794 0.24732472939564 0.49202178482685 9.012 24 Be 0.00797821517315 0.25530294456879 0.00423883368109 9.012 25 P 0.25000000000000 0.24525966258921 0.99525966258921 30.974 26 P 0.25000000000000 0.74525966258921 0.49525966258921 30.974 27 P 0.74525966258921 0.49525966258921 0.25000000000000 30.974 28 P 0.75000000000000 0.75474033741079 0.00474033741079 30.974 29 P 0.49525966258921 0.25000000000000 0.74525966258921 30.974 30 P 0.24525966258921 0.99525966258921 0.25000000000000 30.974 31 P 0.99525966258921 0.25000000000000 0.24525966258921 30.974 32 P 0.25474033741079 0.50474033741079 0.75000000000000 30.974 33 P 0.00474033741079 0.75000000000000 0.75474033741079 30.974 34 P 0.50000000000000 0.50000000000000 0.50000000000000 30.974 35 P 0.75474033741079 0.00474033741079 0.75000000000000 30.974 36 P 0.50000000000000 0.00000000000000 0.00000000000000 30.974 37 P 0.50474033741079 0.75000000000000 0.25474033741079 30.974 38 P 0.75000000000000 0.25474033741079 0.50474033741079 30.974 39 P 0.00000000000000 0.00000000000000 0.50000000000000 30.974 40 P 0.00000000000000 0.50000000000000 0.00000000000000 30.974 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.138506469999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.138506469999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.138506469999999 Atomic positions (fractional): 1 Be 0.87845705214272 0.37047883696958 0.62578178153836 9.012 > 1 2 Be 0.87845705214272 0.62952116303043 0.87421821846164 9.012 > 2 3 Be 0.37047883696958 0.37421821846164 0.62154294785728 9.012 > 3 4 Be 0.12154294785728 0.12952116303042 0.62578178153836 9.012 > 4 5 Be 0.37845705214272 0.62952116303043 0.62578178153836 9.012 > 5 6 Be 0.37421821846164 0.37845705214272 0.12952116303042 9.012 > 6 7 Be 0.37421821846164 0.87845705214272 0.87047883696957 9.012 > 7 8 Be 0.37047883696958 0.12578178153836 0.12154294785728 9.012 > 8 9 Be 0.12578178153836 0.62154294785728 0.62952116303043 9.012 > 9 10 Be 0.12952116303042 0.87421821846164 0.62154294785728 9.012 > 10 11 Be 0.12952116303042 0.12578178153836 0.87845705214272 9.012 > 11 12 Be 0.37421821846164 0.12154294785728 0.62952116303043 9.012 > 12 13 Be 0.37845705214272 0.37047883696958 0.87421821846164 9.012 > 13 14 Be 0.37047883696958 0.62578178153836 0.87845705214272 9.012 > 14 15 Be 0.12952116303042 0.62578178153836 0.12154294785728 9.012 > 15 16 Be 0.37047883696958 0.87421821846164 0.37845705214272 9.012 > 16 17 Be 0.62154294785728 0.12952116303042 0.87421821846164 9.012 > 17 18 Be 0.37421821846164 0.62154294785728 0.37047883696958 9.012 > 18 19 Be 0.12154294785728 0.87047883696957 0.87421821846164 9.012 > 19 20 Be 0.12578178153836 0.37845705214272 0.87047883696957 9.012 > 20 21 Be 0.12952116303042 0.37421821846164 0.37845705214272 9.012 > 21 22 Be 0.12578178153836 0.12154294785728 0.37047883696958 9.012 > 22 23 Be 0.62154294785728 0.87047883696957 0.62578178153836 9.012 > 23 24 Be 0.12578178153836 0.87845705214272 0.12952116303042 9.012 > 24 25 Be 0.37845705214272 0.87047883696957 0.12578178153836 9.012 > 1 26 Be 0.37845705214272 0.12952116303042 0.37421821846164 9.012 > 2 27 Be 0.87047883696957 0.87421821846164 0.12154294785728 9.012 > 3 28 Be 0.62154294785728 0.62952116303043 0.12578178153836 9.012 > 4 29 Be 0.87845705214272 0.12952116303042 0.12578178153836 9.012 > 5 30 Be 0.87421821846164 0.87845705214272 0.62952116303043 9.012 > 6 31 Be 0.87421821846164 0.37845705214272 0.37047883696958 9.012 > 7 32 Be 0.87047883696957 0.62578178153836 0.62154294785728 9.012 > 8 33 Be 0.62578178153836 0.12154294785728 0.12952116303042 9.012 > 9 34 Be 0.62952116303043 0.37421821846164 0.12154294785728 9.012 > 10 35 Be 0.62952116303043 0.62578178153836 0.37845705214272 9.012 > 11 36 Be 0.87421821846164 0.62154294785728 0.12952116303042 9.012 > 12 37 Be 0.87845705214272 0.87047883696957 0.37421821846164 9.012 > 13 38 Be 0.87047883696957 0.12578178153836 0.37845705214272 9.012 > 14 39 Be 0.62952116303043 0.12578178153836 0.62154294785728 9.012 > 15 40 Be 0.87047883696957 0.37421821846164 0.87845705214272 9.012 > 16 41 Be 0.12154294785728 0.62952116303043 0.37421821846164 9.012 > 17 42 Be 0.87421821846164 0.12154294785728 0.87047883696957 9.012 > 18 43 Be 0.62154294785728 0.37047883696958 0.37421821846164 9.012 > 19 44 Be 0.62578178153836 0.87845705214272 0.37047883696958 9.012 > 20 45 Be 0.62952116303043 0.87421821846164 0.87845705214272 9.012 > 21 46 Be 0.62578178153836 0.62154294785728 0.87047883696957 9.012 > 22 47 Be 0.12154294785728 0.37047883696958 0.12578178153836 9.012 > 23 48 Be 0.62578178153836 0.37845705214272 0.62952116303043 9.012 > 24 49 P 0.49525966258921 0.50000000000000 0.75000000000000 30.974 > 49 50 P 0.99525966258921 0.50000000000000 0.75000000000000 30.974 > 50 51 P 0.00000000000000 0.25000000000000 0.49525966258921 30.974 > 51 52 P 0.00474033741079 0.00000000000000 0.75000000000000 30.974 > 52 53 P 0.25000000000000 0.49525966258921 0.00000000000000 30.974 > 53 54 P 0.00000000000000 0.25000000000000 0.99525966258921 30.974 > 54 55 P 0.75000000000000 0.49525966258921 0.50000000000000 30.974 > 55 56 P 0.50000000000000 0.25000000000000 0.00474033741079 30.974 > 56 57 P 0.75000000000000 0.00474033741079 0.00000000000000 30.974 > 57 58 P 0.25000000000000 0.25000000000000 0.25000000000000 30.974 > 58 59 P 0.50000000000000 0.25000000000000 0.50474033741079 30.974 > 59 60 P 0.25000000000000 0.75000000000000 0.75000000000000 30.974 > 60 61 P 0.25000000000000 0.00474033741079 0.50000000000000 30.974 > 61 62 P 0.50474033741079 0.00000000000000 0.75000000000000 30.974 > 62 63 P 0.25000000000000 0.25000000000000 0.75000000000000 30.974 > 63 64 P 0.75000000000000 0.25000000000000 0.75000000000000 30.974 > 64 65 P 0.99525966258921 0.00000000000000 0.25000000000000 30.974 > 49 66 P 0.49525966258921 0.00000000000000 0.25000000000000 30.974 > 50 67 P 0.50000000000000 0.75000000000000 0.99525966258921 30.974 > 51 68 P 0.50474033741079 0.50000000000000 0.25000000000000 30.974 > 52 69 P 0.75000000000000 0.99525966258921 0.50000000000000 30.974 > 53 70 P 0.50000000000000 0.75000000000000 0.49525966258921 30.974 > 54 71 P 0.25000000000000 0.99525966258921 0.00000000000000 30.974 > 55 72 P 0.00000000000000 0.75000000000000 0.50474033741079 30.974 > 56 73 P 0.25000000000000 0.50474033741079 0.50000000000000 30.974 > 57 74 P 0.75000000000000 0.75000000000000 0.75000000000000 30.974 > 58 75 P 0.00000000000000 0.75000000000000 0.00474033741079 30.974 > 59 76 P 0.75000000000000 0.25000000000000 0.25000000000000 30.974 > 60 77 P 0.75000000000000 0.50474033741079 0.00000000000000 30.974 > 61 78 P 0.00474033741079 0.50000000000000 0.25000000000000 30.974 > 62 79 P 0.75000000000000 0.75000000000000 0.25000000000000 30.974 > 63 80 P 0.25000000000000 0.75000000000000 0.25000000000000 30.974 > 64 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 10.3320027 0.0000000 0.0000000 0.0000000 10.3320027 0.0000000 0.0000000 0.0000000 10.3320027 -------------------------- Born effective charges -------------------------- 1 Be 1.5797065 -0.2436529 -0.2933900 -0.0818153 1.5573300 -0.0159163 -0.2988905 -0.0058092 2.0367766 2 Be 1.5797065 0.2436529 0.2933900 0.0818153 1.5573300 -0.0159163 0.2988905 -0.0058092 2.0367766 3 Be 1.5573300 0.0159163 0.0818153 0.0058092 2.0367766 -0.2988905 0.2436529 -0.2933900 1.5797065 4 Be 1.5797065 -0.2436529 0.2933900 -0.0818153 1.5573300 0.0159163 0.2988905 0.0058092 2.0367766 5 Be 1.5797065 0.2436529 -0.2933900 0.0818153 1.5573300 0.0159163 -0.2988905 0.0058092 2.0367766 6 Be 2.0367766 0.2988905 -0.0058092 0.2933900 1.5797065 0.2436529 -0.0159163 0.0818153 1.5573300 7 Be 2.0367766 0.2988905 0.0058092 0.2933900 1.5797065 -0.2436529 0.0159163 -0.0818153 1.5573300 8 Be 1.5573300 -0.0159163 0.0818153 -0.0058092 2.0367766 0.2988905 0.2436529 0.2933900 1.5797065 9 Be 2.0367766 0.2988905 0.0058092 0.2933900 1.5797065 -0.2436529 0.0159163 -0.0818153 1.5573300 10 Be 1.5573300 -0.0159163 -0.0818153 -0.0058092 2.0367766 -0.2988905 -0.2436529 -0.2933900 1.5797065 11 Be 1.5573300 0.0159163 0.0818153 0.0058092 2.0367766 -0.2988905 0.2436529 -0.2933900 1.5797065 12 Be 2.0367766 -0.2988905 -0.0058092 -0.2933900 1.5797065 -0.2436529 -0.0159163 -0.0818153 1.5573300 13 Be 1.5797065 -0.2436529 0.2933900 -0.0818153 1.5573300 0.0159163 0.2988905 0.0058092 2.0367766 14 Be 1.5573300 -0.0159163 -0.0818153 -0.0058092 2.0367766 -0.2988905 -0.2436529 -0.2933900 1.5797065 15 Be 1.5573300 0.0159163 -0.0818153 0.0058092 2.0367766 0.2988905 -0.2436529 0.2933900 1.5797065 16 Be 1.5573300 0.0159163 -0.0818153 0.0058092 2.0367766 0.2988905 -0.2436529 0.2933900 1.5797065 17 Be 1.5797065 -0.2436529 -0.2933900 -0.0818153 1.5573300 -0.0159163 -0.2988905 -0.0058092 2.0367766 18 Be 2.0367766 -0.2988905 0.0058092 -0.2933900 1.5797065 0.2436529 0.0159163 0.0818153 1.5573300 19 Be 1.5797065 0.2436529 -0.2933900 0.0818153 1.5573300 0.0159163 -0.2988905 0.0058092 2.0367766 20 Be 2.0367766 -0.2988905 -0.0058092 -0.2933900 1.5797065 -0.2436529 -0.0159163 -0.0818153 1.5573300 21 Be 1.5573300 -0.0159163 0.0818153 -0.0058092 2.0367766 0.2988905 0.2436529 0.2933900 1.5797065 22 Be 2.0367766 0.2988905 -0.0058092 0.2933900 1.5797065 0.2436529 -0.0159163 0.0818153 1.5573300 23 Be 1.5797065 0.2436529 0.2933900 0.0818153 1.5573300 -0.0159163 0.2988905 -0.0058092 2.0367766 24 Be 2.0367766 -0.2988905 0.0058092 -0.2933900 1.5797065 0.2436529 0.0159163 0.0818153 1.5573300 25 P -2.2892969 -0.0000000 0.0000000 0.0000000 -2.6199704 -0.8799977 0.0000000 -0.6356473 -2.4949252 26 P -2.2892969 -0.0000000 0.0000000 0.0000000 -2.6199704 0.8799977 0.0000000 0.6356473 -2.4949252 27 P -2.6199704 0.8799977 0.0000000 0.6356473 -2.4949252 -0.0000000 0.0000000 0.0000000 -2.2892969 28 P -2.2892969 -0.0000000 0.0000000 0.0000000 -2.6199704 -0.8799977 0.0000000 -0.6356473 -2.4949252 29 P -2.4949252 -0.0000000 0.6356473 0.0000000 -2.2892969 -0.0000000 0.8799977 0.0000000 -2.6199704 30 P -2.6199704 -0.8799977 0.0000000 -0.6356473 -2.4949252 -0.0000000 0.0000000 0.0000000 -2.2892969 31 P -2.4949252 -0.0000000 -0.6356473 0.0000000 -2.2892969 -0.0000000 -0.8799977 0.0000000 -2.6199704 32 P -2.6199704 0.8799977 0.0000000 0.6356473 -2.4949252 -0.0000000 0.0000000 0.0000000 -2.2892969 33 P -2.4949252 -0.0000000 -0.6356473 0.0000000 -2.2892969 -0.0000000 -0.8799977 0.0000000 -2.6199704 34 P -2.9434337 0.3390657 0.8196143 0.8196143 -2.9434337 0.3390657 0.3390657 0.8196143 -2.9434337 35 P -2.6199704 -0.8799977 0.0000000 -0.6356473 -2.4949252 -0.0000000 0.0000000 0.0000000 -2.2892969 36 P -2.9434337 0.3390657 -0.8196143 0.8196143 -2.9434337 -0.3390657 -0.3390657 -0.8196143 -2.9434337 37 P -2.4949252 -0.0000000 0.6356473 0.0000000 -2.2892969 -0.0000000 0.8799977 0.0000000 -2.6199704 38 P -2.2892969 -0.0000000 0.0000000 0.0000000 -2.6199704 0.8799977 0.0000000 0.6356473 -2.4949252 39 P -2.9434337 -0.3390657 0.8196143 -0.8196143 -2.9434337 -0.3390657 0.3390657 -0.8196143 -2.9434337 40 P -2.9434337 -0.3390657 -0.8196143 -0.8196143 -2.9434337 0.3390657 -0.3390657 0.8196143 -2.9434337 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 7 7 ] 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: 0.52, Number of G-points: 321, Lambda: 0.17 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/24) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24 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 3.428 ( 0.000 0.000 0.000) 0.000 3.428 ( 0.000 0.000 0.000) 0.000 3.428 ( 0.000 0.000 0.000) 0.000 4.058 ( 0.000 0.000 0.000) 0.000 4.209 ( 0.000 0.000 0.000) 0.000 4.209 ( 0.000 0.000 0.000) 0.000 4.209 ( 0.000 0.000 0.000) 0.000 4.376 ( 0.000 0.000 0.000) 0.000 4.376 ( 0.000 0.000 0.000) 0.000 4.447 ( 0.000 0.000 0.000) 0.000 4.447 ( 0.000 0.000 0.000) 0.000 4.447 ( 0.000 0.000 0.000) 0.000 4.532 ( 0.000 0.000 0.000) 0.000 4.532 ( 0.000 0.000 0.000) 0.000 4.532 ( 0.000 0.000 0.000) 0.000 4.667 ( 0.000 0.000 0.000) 0.000 4.667 ( 0.000 0.000 0.000) 0.000 4.667 ( 0.000 0.000 0.000) 0.000 5.953 ( 0.000 0.000 0.000) 0.000 5.953 ( 0.000 0.000 0.000) 0.000 5.953 ( 0.000 0.000 0.000) 0.000 6.581 ( 0.000 0.000 0.000) 0.000 6.581 ( 0.000 0.000 0.000) 0.000 6.581 ( 0.000 0.000 0.000) 0.000 6.661 ( 0.000 0.000 0.000) 0.000 6.661 ( 0.000 0.000 0.000) 0.000 6.661 ( 0.000 0.000 0.000) 0.000 6.979 ( 0.000 0.000 0.000) 0.000 7.129 ( 0.000 0.000 0.000) 0.000 7.129 ( 0.000 0.000 0.000) 0.000 7.175 ( 0.000 0.000 0.000) 0.000 7.903 ( 0.000 0.000 0.000) 0.000 7.903 ( 0.000 0.000 0.000) 0.000 7.903 ( 0.000 0.000 0.000) 0.000 8.035 ( 0.000 0.000 0.000) 0.000 8.035 ( 0.000 0.000 0.000) 0.000 8.035 ( 0.000 0.000 0.000) 0.000 8.899 ( 0.000 0.000 0.000) 0.000 8.899 ( 0.000 0.000 0.000) 0.000 9.085 ( 0.000 0.000 0.000) 0.000 9.085 ( 0.000 0.000 0.000) 0.000 9.085 ( 0.000 0.000 0.000) 0.000 10.906 ( 0.000 0.000 0.000) 0.000 10.906 ( 0.000 0.000 0.000) 0.000 10.906 ( 0.000 0.000 0.000) 0.000 11.263 ( 0.000 0.000 0.000) 0.000 11.263 ( 0.000 0.000 0.000) 0.000 11.263 ( 0.000 0.000 0.000) 0.000 11.292 ( 0.000 0.000 0.000) 0.000 11.292 ( 0.000 0.000 0.000) 0.000 11.292 ( 0.000 0.000 0.000) 0.000 11.633 ( 0.000 0.000 0.000) 0.000 11.633 ( 0.000 0.000 0.000) 0.000 11.974 ( 0.000 0.000 0.000) 0.000 12.243 ( 0.000 0.000 0.000) 0.000 12.243 ( 0.000 0.000 0.000) 0.000 12.243 ( 0.000 0.000 0.000) 0.000 12.258 ( 0.000 0.000 0.000) 0.000 12.258 ( 0.000 0.000 0.000) 0.000 12.258 ( 0.000 0.000 0.000) 0.000 12.516 ( 0.000 0.000 0.000) 0.000 12.516 ( 0.000 0.000 0.000) 0.000 12.516 ( 0.000 0.000 0.000) 0.000 12.684 ( 0.000 0.000 0.000) 0.000 12.727 ( 0.000 0.000 0.000) 0.000 12.727 ( 0.000 0.000 0.000) 0.000 12.981 ( 0.000 0.000 0.000) 0.000 12.981 ( 0.000 0.000 0.000) 0.000 12.981 ( 0.000 0.000 0.000) 0.000 13.314 ( 0.000 0.000 0.000) 0.000 13.314 ( 0.000 0.000 0.000) 0.000 13.314 ( 0.000 0.000 0.000) 0.000 13.733 ( 0.000 0.000 0.000) 0.000 13.733 ( 0.000 0.000 0.000) 0.000 13.733 ( 0.000 0.000 0.000) 0.000 14.091 ( 0.000 0.000 0.000) 0.000 14.284 ( 0.000 0.000 0.000) 0.000 14.284 ( 0.000 0.000 0.000) 0.000 14.284 ( 0.000 0.000 0.000) 0.000 14.356 ( 0.000 0.000 0.000) 0.000 14.356 ( 0.000 0.000 0.000) 0.000 14.744 ( 0.000 0.000 0.000) 0.000 14.744 ( 0.000 0.000 0.000) 0.000 14.744 ( 0.000 0.000 0.000) 0.000 15.009 ( 0.000 0.000 0.000) 0.000 15.009 ( 0.000 0.000 0.000) 0.000 15.009 ( 0.000 0.000 0.000) 0.000 15.116 ( 0.000 0.000 0.000) 0.000 15.395 ( 0.000 0.000 0.000) 0.000 15.395 ( 0.000 0.000 0.000) 0.000 15.395 ( 0.000 0.000 0.000) 0.000 15.433 ( 0.000 0.000 0.000) 0.000 15.433 ( 0.000 0.000 0.000) 0.000 15.480 ( 0.000 0.000 0.000) 0.000 15.480 ( 0.000 0.000 0.000) 0.000 15.480 ( 0.000 0.000 0.000) 0.000 15.663 ( 0.000 0.000 0.000) 0.000 15.663 ( 0.000 0.000 0.000) 0.000 15.663 ( 0.000 0.000 0.000) 0.000 15.835 ( 0.000 0.000 0.000) 0.000 15.835 ( 0.000 0.000 0.000) 0.000 15.835 ( 0.000 0.000 0.000) 0.000 16.839 ( 0.000 0.000 0.000) 0.000 16.839 ( 0.000 0.000 0.000) 0.000 16.839 ( 0.000 0.000 0.000) 0.000 16.872 ( 0.000 0.000 0.000) 0.000 16.872 ( 0.000 0.000 0.000) 0.000 17.096 ( 0.000 0.000 0.000) 0.000 17.100 ( 0.000 0.000 0.000) 0.000 17.100 ( 0.000 0.000 0.000) 0.000 17.100 ( 0.000 0.000 0.000) 0.000 17.182 ( 0.000 0.000 0.000) 0.000 17.182 ( 0.000 0.000 0.000) 0.000 17.182 ( 0.000 0.000 0.000) 0.000 18.765 ( 0.000 0.000 0.000) 0.000 19.016 ( 0.000 0.000 0.000) 0.000 19.016 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/24) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( -0.000 33.260 35.454) 48.613 1.116 ( -0.000 40.646 38.139) 55.737 1.714 ( -0.000 58.907 59.276) 83.569 3.477 ( -0.000 4.421 1.846) 4.791 3.495 ( -0.000 2.529 5.036) 5.635 3.511 ( -0.000 1.988 2.770) 3.410 4.005 ( 0.000 -4.168 -4.463) 6.107 4.153 ( 0.000 -5.945 -6.583) 8.870 4.215 ( -0.000 -3.803 0.982) 3.927 4.248 ( 0.000 -5.851 -3.021) 6.585 4.257 ( 0.000 -3.406 -5.331) 6.327 4.296 ( -0.000 7.201 1.033) 7.275 4.435 ( -0.000 9.384 0.655) 9.407 4.525 ( -0.000 5.457 14.440) 15.437 4.614 ( -0.000 6.630 4.773) 8.170 4.617 ( -0.000 3.156 9.982) 10.469 4.695 ( -0.000 11.916 4.767) 12.834 4.773 ( -0.000 8.120 8.246) 11.573 4.787 ( -0.000 15.544 17.983) 23.770 4.938 ( -0.000 15.973 13.312) 20.793 4.944 ( -0.000 14.015 16.981) 22.017 5.686 ( 0.000 -19.422 -17.464) 26.119 5.719 ( 0.000 -17.059 -19.519) 25.923 5.762 ( 0.000 -11.457 -13.858) 17.980 5.981 ( 0.000 -32.041 -25.622) 41.026 6.169 ( 0.000 -20.778 -29.945) 36.447 6.200 ( 0.000 -24.241 -6.338) 25.056 6.360 ( 0.000 2.550 -27.232) 27.351 6.662 ( -0.000 -34.240 19.233) 39.272 6.681 ( 0.000 0.470 -22.241) 22.246 6.814 ( 0.000 -11.059 -7.213) 13.203 6.982 ( 0.000 4.818 -18.896) 19.501 7.140 ( 0.000 -6.866 -7.141) 9.906 7.274 ( -0.000 5.924 14.855) 15.993 7.532 ( 0.000 1.292 -19.360) 19.403 7.764 ( -0.000 -23.904 19.867) 31.082 7.924 ( 0.000 11.413 -16.945) 20.430 8.132 ( -0.000 -12.093 8.791) 14.950 8.224 ( -0.000 23.459 -2.863) 23.633 8.502 ( -0.000 12.632 22.662) 25.945 8.924 ( -0.000 -3.650 0.948) 3.771 9.058 ( 0.000 16.711 -5.442) 17.575 9.124 ( -0.000 -3.791 15.357) 15.818 9.175 ( -0.000 6.518 6.529) 9.226 9.199 ( -0.000 8.100 4.829) 9.430 10.839 ( 0.000 -10.444 -9.045) 13.816 10.855 ( 0.000 -8.263 -11.069) 13.813 10.918 ( -0.000 -1.355 1.379) 1.933 11.106 ( 0.000 -10.783 -7.726) 13.265 11.110 ( -0.000 0.785 2.594) 2.710 11.125 ( 0.000 1.578 -5.854) 6.063 11.304 ( -0.000 2.622 2.878) 3.894 11.426 ( -0.000 0.845 7.014) 7.064 11.464 ( -0.000 7.998 2.669) 8.432 11.687 ( -0.000 3.570 3.436) 4.955 11.749 ( -0.000 6.801 7.322) 9.993 11.925 ( 0.000 -2.101 -1.613) 2.649 12.122 ( 0.000 -1.918 -9.495) 9.687 12.158 ( 0.000 -6.881 0.846) 6.933 12.222 ( 0.000 -2.063 -0.158) 2.069 12.307 ( -0.000 5.427 -0.692) 5.471 12.307 ( -0.000 -1.601 1.225) 2.016 12.333 ( -0.000 1.962 2.040) 2.831 12.425 ( 0.000 -4.377 -4.676) 6.405 12.518 ( 0.000 4.447 -4.067) 6.026 12.519 ( -0.000 -4.282 5.688) 7.119 12.633 ( 0.000 -1.913 -3.867) 4.315 12.708 ( 0.000 -1.505 -0.098) 1.509 12.752 ( -0.000 1.286 0.781) 1.505 12.947 ( 0.000 -2.298 -1.859) 2.956 13.036 ( -0.000 0.572 6.911) 6.934 13.072 ( -0.000 9.613 3.566) 10.253 13.346 ( -0.000 -0.443 5.219) 5.238 13.381 ( 0.000 8.717 -2.372) 9.034 13.479 ( -0.000 7.953 11.774) 14.208 13.814 ( -0.000 -1.680 12.256) 12.370 13.842 ( -0.000 13.507 0.021) 13.507 14.176 ( -0.000 5.016 5.086) 7.144 14.275 ( 0.000 -0.602 -2.080) 2.165 14.292 ( -0.000 -0.623 1.561) 1.681 14.335 ( -0.000 2.613 3.266) 4.183 14.365 ( -0.000 0.395 0.741) 0.839 14.455 ( -0.000 7.037 6.124) 9.329 14.527 ( -0.000 3.036 3.252) 4.449 14.785 ( -0.000 0.228 5.847) 5.851 14.823 ( -0.000 7.903 2.326) 8.238 14.868 ( 0.000 -5.413 -5.696) 7.858 15.010 ( -0.000 -1.690 2.085) 2.684 15.016 ( 0.000 2.192 -1.534) 2.676 15.212 ( -0.000 3.325 3.384) 4.744 15.295 ( 0.000 -4.585 -2.200) 5.085 15.310 ( 0.000 -2.958 -5.954) 6.648 15.378 ( 0.000 -1.550 -0.699) 1.700 15.391 ( -0.000 0.744 1.089) 1.319 15.430 ( -0.000 2.078 0.950) 2.285 15.508 ( -0.000 3.687 0.697) 3.753 15.592 ( -0.000 -0.645 4.226) 4.275 15.618 ( -0.000 0.782 3.492) 3.578 15.707 ( -0.000 7.743 0.462) 7.757 15.731 ( -0.000 3.663 3.741) 5.236 15.743 ( -0.000 6.377 9.598) 11.523 15.798 ( -0.000 0.476 1.142) 1.237 15.894 ( -0.000 6.138 2.951) 6.810 15.902 ( -0.000 3.194 5.327) 6.211 16.592 ( 0.000 -0.235 -0.166) 0.288 16.749 ( 0.000 -4.074 -7.727) 8.736 16.797 ( 0.000 -4.740 -0.381) 4.755 16.834 ( 0.000 -3.445 -1.827) 3.899 16.868 ( -0.000 1.322 -0.067) 1.323 17.015 ( 0.000 -0.690 -3.264) 3.336 17.104 ( -0.000 -2.014 2.784) 3.436 17.118 ( 0.000 2.682 -1.307) 2.983 17.168 ( -0.000 1.355 0.397) 1.412 17.173 ( -0.000 -2.135 2.317) 3.151 17.211 ( -0.000 3.208 0.869) 3.324 17.266 ( -0.000 6.307 6.201) 8.845 17.422 ( 0.000 -1.168 -1.268) 1.724 18.614 ( 0.000 -10.736 -10.758) 15.199 18.874 ( 0.000 -9.493 -9.375) 13.342 18.902 ( 0.000 -7.869 -7.968) 11.199 ======================= Grid point 2 (3/24) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( -0.000 28.379 29.370) 40.841 2.213 ( -0.000 39.277 37.129) 54.048 3.237 ( -0.000 38.883 43.951) 58.682 3.467 ( 0.000 1.154 -1.161) 1.637 3.505 ( 0.000 -7.195 -6.967) 10.016 3.628 ( -0.000 6.127 9.798) 11.557 3.872 ( 0.000 -5.054 -2.552) 5.661 3.940 ( 0.000 -5.696 -5.217) 7.724 4.036 ( 0.000 -14.650 -5.945) 15.811 4.163 ( 0.000 10.283 -15.213) 18.362 4.246 ( 0.000 1.220 -0.583) 1.352 4.425 ( -0.000 5.002 8.823) 10.142 4.679 ( -0.000 1.483 12.362) 12.450 4.760 ( 0.000 15.080 -6.536) 16.435 4.792 ( 0.000 1.736 -4.722) 5.031 4.824 ( 0.000 -13.070 -0.611) 13.084 4.878 ( -0.000 9.975 9.401) 13.707 5.002 ( 0.000 -8.055 -20.706) 22.217 5.022 ( 0.000 -5.713 -0.708) 5.757 5.059 ( 0.000 -25.116 -4.122) 25.452 5.097 ( 0.000 6.714 -1.997) 7.004 5.162 ( 0.000 -7.868 1.089) 7.943 5.261 ( 0.000 -14.751 -9.108) 17.336 5.575 ( -0.000 19.333 5.083) 19.990 5.601 ( -0.000 3.745 11.180) 11.790 5.665 ( -0.000 -9.769 4.633) 10.812 5.971 ( -0.000 7.842 6.313) 10.067 6.027 ( 0.000 7.528 -23.293) 24.479 6.327 ( 0.000 4.120 -22.397) 22.773 6.377 ( -0.000 -39.406 19.613) 44.017 6.611 ( 0.000 0.734 -17.368) 17.384 6.702 ( 0.000 -13.989 -7.746) 15.990 6.744 ( 0.000 -18.306 -18.768) 26.218 7.443 ( 0.000 6.967 -10.146) 12.308 7.522 ( -0.000 0.960 11.111) 11.153 7.713 ( 0.000 4.340 -24.684) 25.063 7.755 ( -0.000 -12.188 14.327) 18.810 8.052 ( -0.000 -11.215 5.430) 12.461 8.484 ( -0.000 13.501 -0.649) 13.517 8.751 ( 0.000 -9.193 -8.205) 12.322 8.885 ( -0.000 5.791 15.432) 16.483 9.180 ( 0.000 6.246 -2.927) 6.898 9.273 ( -0.000 5.476 4.805) 7.285 9.368 ( -0.000 8.028 1.378) 8.145 9.418 ( -0.000 4.109 12.995) 13.629 10.407 ( 0.000 -17.285 -20.237) 26.614 10.437 ( 0.000 -18.321 -15.372) 23.916 10.599 ( 0.000 -19.163 -18.016) 26.302 11.067 ( -0.000 1.624 9.351) 9.491 11.223 ( -0.000 8.830 2.473) 9.170 11.296 ( -0.000 8.750 7.224) 11.347 11.398 ( -0.000 3.361 2.945) 4.468 11.522 ( -0.000 0.114 5.406) 5.408 11.571 ( -0.000 5.507 -0.868) 5.575 11.805 ( -0.000 6.631 1.280) 6.753 11.904 ( -0.000 -2.173 8.000) 8.289 11.947 ( 0.000 -2.532 -9.728) 10.052 11.970 ( -0.000 4.281 5.571) 7.026 12.098 ( -0.000 -2.017 0.807) 2.173 12.179 ( 0.000 -5.565 0.529) 5.590 12.271 ( 0.000 2.828 -3.464) 4.472 12.311 ( 0.000 -5.032 -2.439) 5.592 12.347 ( -0.000 0.231 0.119) 0.260 12.404 ( -0.000 3.428 2.412) 4.192 12.464 ( 0.000 -4.080 -4.325) 5.946 12.601 ( -0.000 3.576 7.789) 8.570 12.605 ( 0.000 1.344 -3.349) 3.609 12.670 ( 0.000 2.198 -4.207) 4.746 12.798 ( -0.000 1.907 4.471) 4.861 12.876 ( 0.000 -4.625 -0.883) 4.708 13.168 ( -0.000 0.463 9.548) 9.559 13.308 ( -0.000 13.828 2.715) 14.092 13.447 ( 0.000 5.538 -2.063) 5.910 13.452 ( -0.000 3.846 6.013) 7.138 13.761 ( -0.000 6.860 10.866) 12.850 13.983 ( -0.000 -1.570 13.503) 13.594 14.068 ( -0.000 15.151 1.068) 15.188 14.210 ( 0.000 -2.665 -3.690) 4.552 14.296 ( -0.000 1.244 0.457) 1.325 14.330 ( -0.000 3.244 6.524) 7.286 14.379 ( -0.000 -0.173 0.368) 0.407 14.413 ( -0.000 1.737 2.916) 3.395 14.597 ( 0.000 0.738 -1.076) 1.305 14.631 ( -0.000 3.283 5.222) 6.169 14.785 ( -0.000 1.525 1.258) 1.977 14.839 ( -0.000 -4.034 2.421) 4.704 14.977 ( -0.000 6.549 -1.146) 6.649 15.033 ( 0.000 7.860 -1.952) 8.099 15.064 ( -0.000 0.900 7.562) 7.616 15.207 ( 0.000 -0.657 -0.868) 1.088 15.246 ( 0.000 -0.986 -0.971) 1.384 15.295 ( -0.000 2.153 2.915) 3.624 15.371 ( -0.000 -2.733 3.824) 4.700 15.444 ( -0.000 3.619 2.356) 4.319 15.507 ( -0.000 5.802 0.610) 5.834 15.593 ( -0.000 4.485 1.549) 4.745 15.598 ( -0.000 0.010 0.430) 0.431 15.614 ( -0.000 -7.555 4.270) 8.678 15.795 ( -0.000 1.835 1.629) 2.454 15.810 ( -0.000 2.066 0.197) 2.076 15.844 ( -0.000 2.392 3.341) 4.109 15.967 ( -0.000 9.088 2.082) 9.324 16.029 ( -0.000 3.706 4.275) 5.658 16.065 ( -0.000 5.145 3.474) 6.209 16.557 ( 0.000 -2.245 -1.360) 2.625 16.581 ( 0.000 -1.646 -7.458) 7.637 16.716 ( 0.000 -4.000 -2.528) 4.732 16.752 ( -0.000 -5.262 1.612) 5.503 16.949 ( -0.000 -2.715 12.663) 12.951 16.997 ( 0.000 9.001 -6.065) 10.853 17.099 ( 0.000 3.196 -5.530) 6.387 17.136 ( -0.000 -4.071 7.681) 8.693 17.178 ( 0.000 4.725 -2.796) 5.490 17.262 ( 0.000 0.691 -0.437) 0.818 17.293 ( -0.000 5.025 11.532) 12.579 17.387 ( 0.000 0.086 -0.807) 0.812 17.482 ( -0.000 9.202 7.998) 12.193 18.179 ( 0.000 -18.885 -19.324) 27.019 18.525 ( 0.000 -15.299 -14.264) 20.917 18.585 ( 0.000 -13.835 -14.552) 20.079 ======================= Grid point 3 (4/24) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.599 ( -0.000 21.515 19.047) 28.735 3.098 ( 0.000 -17.620 -11.330) 20.948 3.257 ( -0.000 31.952 29.550) 43.521 3.329 ( -0.000 -5.286 7.886) 9.494 3.592 ( 0.000 -4.745 -20.901) 21.433 3.774 ( -0.000 11.219 0.063) 11.219 3.804 ( -0.000 -9.959 5.387) 11.322 3.914 ( 0.000 -2.677 -10.091) 10.440 3.949 ( -0.000 1.075 0.393) 1.144 4.154 ( 0.000 -22.639 -11.464) 25.376 4.277 ( -0.000 2.825 2.980) 4.106 4.393 ( 0.000 14.137 -17.768) 22.706 4.439 ( 0.000 -21.419 1.641) 21.482 4.457 ( 0.000 -4.274 -10.032) 10.905 4.608 ( 0.000 -11.162 -4.464) 12.021 4.708 ( 0.000 0.678 -11.307) 11.327 4.965 ( -0.000 2.604 6.109) 6.641 4.968 ( -0.000 3.055 30.318) 30.472 4.995 ( -0.000 19.770 8.206) 21.406 5.195 ( -0.000 3.459 17.133) 17.478 5.216 ( -0.000 16.322 -2.190) 16.468 5.341 ( -0.000 0.206 13.849) 13.851 5.436 ( -0.000 -10.774 5.311) 12.012 5.487 ( 0.000 1.534 -22.241) 22.294 5.489 ( -0.000 7.055 2.913) 7.632 5.890 ( -0.000 4.849 4.732) 6.775 5.982 ( 0.000 -22.558 -9.985) 24.669 6.032 ( 0.000 10.123 -21.167) 23.464 6.212 ( -0.000 -21.426 6.934) 22.520 6.264 ( -0.000 0.233 8.038) 8.042 6.279 ( 0.000 11.069 -25.780) 28.056 6.434 ( 0.000 -17.885 3.241) 18.176 6.788 ( -0.000 23.313 27.948) 36.395 7.353 ( 0.000 -0.796 -21.046) 21.061 7.499 ( 0.000 10.234 -8.614) 13.377 7.589 ( -0.000 -14.937 12.224) 19.302 7.803 ( -0.000 1.303 3.112) 3.373 7.928 ( 0.000 -8.718 -3.899) 9.550 8.560 ( 0.000 2.473 -2.197) 3.308 8.572 ( 0.000 -4.277 -0.441) 4.299 9.155 ( -0.000 7.332 7.437) 10.443 9.208 ( -0.000 1.226 1.570) 1.992 9.387 ( -0.000 7.428 -1.258) 7.534 9.440 ( -0.000 0.232 0.129) 0.266 9.656 ( -0.000 4.821 12.536) 13.431 9.908 ( 0.000 -8.743 -17.949) 19.965 10.012 ( 0.000 -13.118 -8.140) 15.439 10.097 ( 0.000 -16.360 -13.385) 21.138 11.255 ( -0.000 1.186 12.676) 12.732 11.389 ( -0.000 8.560 2.303) 8.865 11.406 ( 0.000 2.303 -7.699) 8.036 11.465 ( -0.000 0.870 2.676) 2.814 11.576 ( -0.000 -4.489 6.759) 8.114 11.601 ( 0.000 4.589 -4.823) 6.657 11.828 ( 0.000 2.886 -5.259) 5.999 11.849 ( -0.000 -2.833 1.279) 3.109 12.001 ( -0.000 6.241 0.293) 6.248 12.097 ( 0.000 -6.782 0.386) 6.793 12.104 ( -0.000 3.012 8.380) 8.905 12.144 ( -0.000 0.907 5.691) 5.763 12.215 ( 0.000 -5.177 -1.023) 5.277 12.266 ( 0.000 2.162 -6.382) 6.738 12.331 ( -0.000 -2.843 0.958) 3.000 12.342 ( 0.000 -1.344 -4.890) 5.071 12.466 ( -0.000 1.443 1.318) 1.955 12.511 ( 0.000 -2.511 -3.231) 4.092 12.708 ( 0.000 6.983 -2.568) 7.440 12.762 ( -0.000 -2.099 3.585) 4.154 12.829 ( -0.000 3.499 1.615) 3.854 12.884 ( -0.000 -1.080 3.537) 3.699 13.295 ( -0.000 -1.108 8.976) 9.044 13.383 ( 0.000 4.623 -8.368) 9.560 13.558 ( -0.000 5.176 3.299) 6.138 13.579 ( -0.000 2.264 3.340) 4.035 13.961 ( -0.000 6.367 4.872) 8.017 14.095 ( -0.000 -8.672 1.831) 8.863 14.137 ( -0.000 4.790 1.972) 5.180 14.202 ( -0.000 -0.934 2.124) 2.321 14.305 ( 0.000 5.512 -3.700) 6.639 14.355 ( 0.000 -3.747 0.161) 3.750 14.466 ( -0.000 0.230 4.833) 4.838 14.539 ( 0.000 0.152 -5.319) 5.322 14.540 ( -0.000 8.437 7.898) 11.557 14.695 ( 0.000 0.659 -0.777) 1.018 14.771 ( 0.000 -3.976 -2.669) 4.789 14.779 ( 0.000 -4.334 -0.385) 4.351 15.057 ( -0.000 6.254 2.637) 6.787 15.129 ( -0.000 6.311 0.170) 6.314 15.146 ( -0.000 -2.883 2.104) 3.569 15.208 ( 0.000 -0.914 -2.848) 2.991 15.319 ( -0.000 6.250 6.549) 9.053 15.365 ( -0.000 4.047 0.701) 4.107 15.382 ( -0.000 -2.010 2.033) 2.859 15.498 ( 0.000 -6.868 -1.978) 7.147 15.547 ( -0.000 3.075 3.565) 4.708 15.565 ( -0.000 -0.304 0.728) 0.789 15.649 ( -0.000 2.155 0.073) 2.156 15.657 ( -0.000 0.126 3.169) 3.172 15.785 ( 0.000 1.037 -4.260) 4.385 15.809 ( 0.000 -3.499 -0.098) 3.500 15.971 ( -0.000 4.833 5.938) 7.656 16.024 ( -0.000 1.970 0.756) 2.110 16.082 ( -0.000 -1.883 0.434) 1.932 16.088 ( 0.000 0.571 -4.335) 4.372 16.516 ( 0.000 2.986 -2.770) 4.073 16.552 ( -0.000 -0.577 3.002) 3.057 16.610 ( 0.000 1.927 -7.682) 7.920 16.687 ( 0.000 -10.018 1.784) 10.176 17.101 ( 0.000 14.622 -5.618) 15.664 17.121 ( -0.000 6.275 -0.097) 6.276 17.170 ( -0.000 -10.318 9.776) 14.213 17.186 ( -0.000 0.928 20.464) 20.485 17.203 ( 0.000 -3.697 -2.332) 4.371 17.267 ( -0.000 10.490 2.260) 10.730 17.385 ( 0.000 0.213 -3.460) 3.467 17.618 ( -0.000 15.142 13.499) 20.285 17.626 ( 0.000 -17.423 -19.532) 26.173 17.751 ( -0.000 11.187 11.087) 15.751 18.069 ( 0.000 -18.333 -15.536) 24.030 18.143 ( 0.000 -15.315 -16.822) 22.749 ======================= Grid point 8 (5/24) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( 11.556 17.824 42.716) 47.707 1.793 ( 18.297 11.578 42.160) 47.395 2.913 ( 35.065 35.786 58.598) 77.097 3.431 ( -3.940 -0.730 -9.912) 10.691 3.511 ( -1.043 -5.204 1.278) 5.459 3.573 ( -2.281 0.078 3.586) 4.251 3.904 ( 0.323 0.942 -7.498) 7.564 4.003 ( -6.727 -3.280 -9.285) 11.925 4.051 ( -6.370 -7.594 -2.093) 10.130 4.134 ( -3.977 -8.123 -1.432) 9.157 4.308 ( 10.065 8.220 -4.616) 13.791 4.543 ( 3.784 7.389 2.097) 8.563 4.586 ( 10.185 2.777 10.156) 14.649 4.651 ( 2.705 -0.328 0.296) 2.740 4.762 ( -3.832 1.386 -1.670) 4.404 4.798 ( 3.307 2.032 3.824) 5.449 4.798 ( 3.964 3.024 12.349) 13.317 4.922 ( 0.309 5.021 17.603) 18.307 5.103 ( -0.013 -3.655 -4.066) 5.468 5.135 ( 0.159 3.003 0.328) 3.025 5.178 ( -2.777 -0.673 -7.484) 8.011 5.317 ( -13.645 -20.092 -15.652) 28.895 5.371 ( -1.644 8.746 15.057) 17.491 5.398 ( -9.766 -12.803 -4.450) 16.706 5.662 ( -9.654 2.779 -23.431) 25.494 5.699 ( 6.265 -3.363 -5.876) 9.224 5.886 ( -5.379 -3.975 -13.537) 15.099 6.100 ( 13.866 -1.212 -23.031) 26.910 6.266 ( -6.214 -3.920 -16.535) 18.094 6.495 ( -3.224 7.115 -21.413) 22.794 6.669 ( -18.987 -17.068 7.485) 26.606 7.071 ( 5.869 0.690 -13.909) 15.112 7.126 ( -13.074 -9.958 10.081) 19.280 7.228 ( 1.463 -5.722 7.425) 9.488 7.412 ( 7.215 1.998 -13.876) 15.767 7.621 ( -3.528 7.157 -6.586) 10.346 7.923 ( -5.069 -11.195 2.898) 12.626 8.136 ( 0.103 16.632 -9.356) 19.083 8.404 ( 13.689 -7.459 -0.202) 15.591 8.629 ( -12.266 -1.489 14.929) 19.379 8.936 ( 2.199 6.748 -11.273) 13.321 9.071 ( 13.095 5.719 -1.751) 14.397 9.273 ( -1.924 -2.948 9.599) 10.224 9.311 ( -2.264 -4.213 12.628) 13.504 9.352 ( -6.709 -2.776 18.093) 19.496 10.515 ( -11.463 -11.733 -20.021) 25.882 10.580 ( -8.604 -8.308 -22.216) 25.231 10.729 ( -15.183 -14.851 -13.259) 25.038 11.045 ( 3.217 7.381 0.254) 8.056 11.166 ( 3.301 -0.445 9.864) 10.411 11.259 ( 5.566 4.877 8.845) 11.532 11.405 ( 3.514 2.872 4.176) 6.168 11.437 ( 0.854 2.588 1.403) 3.065 11.581 ( 5.713 4.223 2.019) 7.386 11.760 ( 6.929 5.533 0.206) 8.870 11.882 ( -3.240 0.318 0.957) 3.393 11.914 ( -0.278 -0.787 10.068) 10.103 12.049 ( 4.202 -2.336 -4.453) 6.553 12.089 ( -5.922 -0.736 -3.198) 6.770 12.210 ( -2.186 2.966 -0.035) 3.685 12.268 ( -0.301 -2.818 -1.905) 3.415 12.301 ( 0.697 -1.004 0.154) 1.232 12.374 ( 0.215 0.639 1.301) 1.465 12.414 ( 2.539 1.271 -2.663) 3.892 12.488 ( 3.301 0.435 1.141) 3.519 12.525 ( -3.282 1.273 -1.294) 3.751 12.639 ( 2.835 0.534 1.755) 3.376 12.700 ( 0.538 -1.297 -1.676) 2.186 12.762 ( -2.055 -0.568 2.206) 3.068 12.944 ( 0.267 1.610 -1.864) 2.477 13.049 ( -1.116 2.219 4.020) 4.725 13.252 ( 7.602 3.782 6.716) 10.826 13.385 ( 2.721 2.377 4.388) 5.684 13.529 ( 9.035 2.686 4.934) 10.639 13.644 ( 0.395 6.273 11.019) 12.685 13.887 ( 7.241 11.622 0.351) 13.698 14.044 ( 3.798 -0.962 12.052) 12.673 14.249 ( -0.091 -1.492 2.775) 3.152 14.271 ( -0.467 0.078 3.125) 3.161 14.297 ( -3.295 0.846 1.647) 3.779 14.330 ( -0.765 -2.531 3.402) 4.309 14.474 ( 4.898 5.440 0.901) 7.375 14.544 ( 3.802 4.313 2.538) 6.285 14.624 ( 0.000 -0.318 5.354) 5.364 14.801 ( 2.744 3.810 -1.908) 5.068 14.825 ( 3.601 6.246 -1.602) 7.386 14.925 ( 4.934 -0.230 4.826) 6.906 14.989 ( 1.835 1.169 -2.226) 3.112 15.057 ( -0.761 0.027 5.402) 5.455 15.232 ( -0.217 -1.637 -1.511) 2.238 15.258 ( -3.168 -2.082 -1.384) 4.036 15.277 ( 0.736 1.068 2.999) 3.268 15.375 ( 0.218 2.943 -0.990) 3.112 15.436 ( 1.052 1.604 2.582) 3.217 15.460 ( 0.495 -2.684 6.088) 6.672 15.583 ( 3.959 2.857 -0.283) 4.891 15.591 ( 2.115 2.229 -2.107) 3.726 15.662 ( -2.963 4.156 2.966) 5.904 15.765 ( 1.142 -0.334 3.511) 3.707 15.784 ( 0.260 -0.407 3.204) 3.241 15.801 ( 1.401 -0.184 3.397) 3.679 15.932 ( 4.088 0.838 7.172) 8.297 15.992 ( 3.960 4.952 5.397) 8.327 16.023 ( 4.476 3.839 6.386) 8.692 16.545 ( -5.410 -5.365 0.097) 7.620 16.654 ( 1.344 -3.258 -7.639) 8.413 16.716 ( -4.136 0.728 -2.741) 5.015 16.796 ( 1.161 5.178 -7.240) 8.976 16.845 ( 4.425 2.951 -5.578) 7.708 17.046 ( -0.695 -0.815 -2.822) 3.018 17.079 ( -3.527 -5.437 12.230) 13.841 17.143 ( 2.583 -1.150 3.397) 4.420 17.186 ( -0.047 1.853 1.949) 2.690 17.214 ( -0.594 1.062 4.544) 4.705 17.322 ( -0.883 3.084 6.214) 6.993 17.369 ( 3.935 0.198 9.115) 9.930 17.401 ( -2.611 -2.407 2.327) 4.246 18.319 ( -7.460 -7.607 -23.020) 25.366 18.602 ( -7.024 -6.802 -19.695) 21.988 18.717 ( -10.899 -11.009 -8.034) 17.451 ======================= Grid point 9 (6/24) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.443 ( 10.196 7.874 33.289) 35.695 2.688 ( -7.120 28.061 36.541) 46.620 3.238 ( -11.505 1.960 -13.940) 18.181 3.351 ( -5.913 -16.947 -2.264) 18.092 3.571 ( -13.500 -3.069 2.744) 14.114 3.627 ( -6.042 -5.831 -22.080) 23.623 3.827 ( 5.490 4.762 -9.155) 11.689 3.897 ( 1.155 6.648 -18.878) 20.047 4.040 ( -10.582 0.078 -5.569) 11.959 4.055 ( -2.129 -6.619 1.317) 7.076 4.193 ( 9.342 2.849 16.239) 18.950 4.393 ( -8.991 -4.324 -7.397) 12.419 4.506 ( -5.778 -16.398 -20.140) 26.606 4.545 ( -11.240 -11.279 -8.973) 18.277 4.733 ( 0.798 -0.054 -5.276) 5.337 4.763 ( 9.599 5.278 0.144) 10.955 4.811 ( -0.514 3.868 5.067) 6.395 4.878 ( -1.121 6.388 -11.065) 12.826 4.972 ( -5.631 -6.328 13.620) 16.039 5.070 ( -0.339 3.318 6.507) 7.313 5.218 ( -11.437 -0.196 6.179) 13.001 5.325 ( -2.081 6.760 12.409) 14.283 5.445 ( 2.553 3.681 -2.701) 5.231 5.564 ( 3.778 0.768 4.705) 6.083 5.584 ( 15.809 -4.742 -4.155) 17.019 5.726 ( 11.130 8.768 4.986) 15.020 5.925 ( 19.645 15.824 -16.204) 29.981 6.181 ( 12.499 7.869 17.070) 22.572 6.244 ( 3.234 10.616 -4.178) 11.858 6.484 ( 2.582 11.432 19.470) 22.725 6.598 ( 1.330 -12.258 9.659) 15.663 6.678 ( 18.865 -16.572 -13.381) 28.453 6.933 ( 13.449 -31.527 14.234) 37.114 7.237 ( -3.049 12.492 -17.496) 21.713 7.486 ( 0.990 -0.490 -11.213) 11.268 7.536 ( -7.644 9.974 3.660) 13.089 7.805 ( -7.555 -11.183 3.881) 14.043 8.122 ( 7.056 -4.124 -8.049) 11.471 8.392 ( -9.141 6.854 -1.571) 11.533 8.587 ( -4.538 -5.790 -5.663) 9.284 8.965 ( -8.531 12.769 -2.778) 15.605 9.145 ( 3.076 -1.642 5.506) 6.517 9.330 ( -7.580 0.544 -0.267) 7.604 9.367 ( -4.437 -5.128 7.594) 10.181 9.546 ( -12.279 -3.915 16.832) 21.200 10.006 ( -11.000 -15.219 -21.375) 28.452 10.128 ( -11.605 -14.671 -15.299) 24.166 10.254 ( -15.567 -20.551 -14.761) 29.708 11.222 ( 4.820 10.781 4.584) 12.668 11.323 ( 3.586 2.160 8.472) 9.449 11.434 ( 6.635 1.488 1.706) 7.011 11.466 ( 4.097 3.833 4.240) 7.033 11.533 ( 2.472 5.706 1.040) 6.305 11.630 ( 5.037 3.134 -1.660) 6.160 11.806 ( -0.893 -1.959 -4.521) 5.008 11.856 ( 3.274 4.424 1.259) 5.646 11.953 ( -3.992 -2.502 -1.117) 4.842 12.056 ( -1.529 -0.202 3.425) 3.756 12.089 ( -4.235 -0.470 5.599) 7.036 12.197 ( 2.649 -2.911 -1.275) 4.137 12.260 ( 1.501 2.851 -0.299) 3.236 12.334 ( 2.913 -1.658 -1.025) 3.505 12.375 ( 0.768 2.886 -2.624) 3.976 12.382 ( 3.074 -1.596 0.932) 3.587 12.466 ( 4.034 -1.319 0.878) 4.334 12.560 ( 0.207 -1.215 -2.107) 2.441 12.647 ( 3.751 2.897 -1.611) 5.006 12.702 ( 1.141 3.979 3.626) 5.503 12.828 ( -3.675 1.903 3.353) 5.326 12.917 ( 3.308 -3.693 2.020) 5.354 13.176 ( -7.455 7.372 0.807) 10.515 13.323 ( -1.081 -1.504 3.974) 4.385 13.550 ( 8.128 6.292 6.430) 12.124 13.627 ( 10.320 3.147 2.897) 11.171 13.856 ( -0.913 6.713 4.728) 8.261 14.095 ( 1.167 13.309 0.552) 13.372 14.109 ( 3.194 1.734 -2.804) 4.590 14.222 ( 0.746 -6.489 5.328) 8.429 14.300 ( -0.402 -2.958 0.563) 3.038 14.355 ( -2.049 0.712 2.379) 3.219 14.414 ( -3.161 2.937 7.916) 9.016 14.503 ( 2.690 -1.218 0.564) 3.006 14.552 ( -1.217 -0.563 -1.293) 1.862 14.688 ( -0.846 -0.785 3.527) 3.711 14.861 ( 4.981 -0.655 -0.504) 5.049 14.880 ( 7.943 0.567 -0.989) 8.025 14.975 ( 2.753 5.871 1.144) 6.585 15.021 ( 1.923 9.451 0.116) 9.646 15.166 ( 0.079 0.532 5.434) 5.461 15.208 ( -1.260 -0.594 -1.474) 2.028 15.237 ( -0.381 1.398 2.876) 3.221 15.345 ( 0.516 0.889 3.109) 3.275 15.393 ( -1.224 1.185 -2.685) 3.180 15.483 ( -0.245 1.672 1.297) 2.130 15.521 ( 0.132 -0.207 5.363) 5.368 15.622 ( 0.932 2.400 0.444) 2.613 15.645 ( 1.658 3.361 2.021) 4.258 15.661 ( 1.363 -5.570 -0.137) 5.736 15.790 ( 1.255 0.171 -2.913) 3.176 15.826 ( -0.508 0.947 2.831) 3.028 15.863 ( -3.762 4.579 1.977) 6.247 16.010 ( 4.121 3.535 0.243) 5.435 16.068 ( -0.726 -1.294 -2.338) 2.769 16.099 ( 1.400 0.030 2.657) 3.004 16.490 ( -2.716 -2.423 0.492) 3.673 16.549 ( 6.174 3.360 -6.012) 9.250 16.675 ( 1.454 -4.099 -0.374) 4.365 16.790 ( 3.177 5.760 -2.492) 7.035 16.891 ( -0.497 12.701 -6.461) 14.259 16.999 ( -2.560 -1.113 0.236) 2.802 17.153 ( -0.889 0.729 4.148) 4.305 17.187 ( -4.080 -3.457 6.867) 8.704 17.265 ( -0.050 -3.680 11.689) 12.254 17.357 ( 2.180 -3.804 10.083) 10.995 17.375 ( 1.003 -0.075 3.099) 3.258 17.477 ( 0.437 2.587 12.798) 13.064 17.590 ( -3.461 7.417 10.825) 13.571 17.804 ( -4.009 -11.072 -27.613) 30.019 18.189 ( -6.334 -9.110 -21.178) 23.909 18.373 ( -9.369 -19.886 -9.085) 23.786 ======================= Grid point 10 (7/24) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.884 ( 0.303 7.885 15.642) 17.520 2.954 ( 0.125 -24.127 -4.755) 24.592 3.186 ( -9.616 3.053 -17.876) 20.526 3.297 ( -13.927 11.375 -0.383) 17.986 3.534 ( -17.694 19.896 16.475) 31.310 3.616 ( -12.032 -5.458 0.038) 13.212 3.688 ( -14.937 -10.123 -12.291) 21.833 3.746 ( 0.300 8.793 -6.235) 10.784 3.899 ( -4.444 4.288 -7.289) 9.553 3.953 ( -8.258 4.389 -3.876) 10.123 4.005 ( -8.308 -6.528 0.736) 10.592 4.143 ( -11.226 -6.593 8.862) 15.748 4.389 ( -1.408 10.082 -0.743) 10.207 4.522 ( -6.510 -2.483 3.350) 7.731 4.621 ( 20.693 10.075 -13.710) 26.789 4.827 ( 5.723 2.914 -2.263) 6.809 4.912 ( -17.279 4.072 -1.000) 17.781 4.979 ( -12.471 -5.436 3.032) 13.938 5.046 ( -1.926 0.791 1.591) 2.620 5.205 ( -0.730 1.790 -4.512) 4.908 5.349 ( -13.425 -14.890 5.295) 20.736 5.362 ( 8.588 0.347 -9.407) 12.742 5.515 ( 11.233 -6.467 2.648) 13.230 5.642 ( 13.171 -0.087 11.037) 17.184 5.761 ( 15.569 18.821 -11.071) 26.818 5.851 ( 24.850 12.737 16.770) 32.573 5.906 ( 22.918 -10.032 -13.337) 28.350 6.084 ( 11.606 5.957 -1.479) 13.130 6.152 ( 15.001 -2.650 -7.182) 16.841 6.437 ( 15.682 -1.827 7.626) 17.533 6.665 ( 13.946 -22.053 6.262) 26.834 6.730 ( 14.167 -20.886 27.435) 37.278 7.048 ( -0.161 -5.448 -20.133) 20.858 7.201 ( 0.500 14.799 21.590) 26.180 7.369 ( -1.193 10.510 -7.092) 12.735 7.664 ( -7.433 -8.484 -3.366) 11.771 7.758 ( -1.796 9.403 5.036) 10.817 7.864 ( 2.382 -11.548 -6.630) 13.527 8.436 ( -9.960 7.036 -3.628) 12.723 8.538 ( -4.417 -0.420 0.910) 4.529 9.090 ( -10.148 2.744 -6.813) 12.527 9.154 ( -5.831 4.386 -2.509) 7.716 9.323 ( -8.774 1.088 2.126) 9.093 9.427 ( -5.264 0.894 3.752) 6.526 9.644 ( -11.531 -6.026 -4.506) 13.769 9.779 ( -13.684 1.201 17.856) 22.528 9.848 ( -15.204 -9.076 -1.165) 17.745 9.868 ( -13.512 -6.224 2.424) 15.073 11.327 ( 6.755 -1.285 -7.953) 10.513 11.433 ( 4.100 6.801 4.112) 8.943 11.471 ( 3.505 -0.462 4.252) 5.530 11.517 ( 6.314 0.597 -4.580) 7.823 11.559 ( 4.935 -0.170 -2.472) 5.522 11.665 ( 2.682 -0.587 2.116) 3.466 11.764 ( -1.865 5.905 -1.747) 6.435 11.872 ( -2.819 -5.359 1.064) 6.148 11.993 ( 0.512 6.516 2.512) 7.002 12.059 ( -5.360 -3.125 -1.222) 6.324 12.113 ( 1.113 -3.872 -1.668) 4.360 12.150 ( -3.789 -3.093 2.591) 5.535 12.237 ( 6.631 3.018 -5.829) 9.330 12.313 ( 3.469 2.852 -1.568) 4.757 12.362 ( 2.331 0.263 -0.455) 2.389 12.377 ( 6.359 -3.842 3.924) 8.402 12.497 ( 2.271 -0.358 1.157) 2.574 12.511 ( 2.392 -0.781 2.105) 3.281 12.703 ( 2.567 5.308 -1.074) 5.993 12.791 ( -1.421 -0.968 0.546) 1.804 12.828 ( -1.623 0.234 -0.592) 1.743 12.910 ( 1.784 -4.120 0.905) 4.580 13.225 ( -5.689 3.746 -5.848) 8.978 13.365 ( -6.063 -3.442 7.121) 9.966 13.664 ( 7.711 -0.392 -1.717) 7.909 13.673 ( 9.753 1.495 2.005) 10.068 13.969 ( -0.426 7.130 -4.117) 8.244 14.038 ( 3.028 -1.329 -5.426) 6.354 14.181 ( -1.969 0.454 -1.102) 2.302 14.237 ( 1.197 -6.146 1.856) 6.531 14.278 ( -0.100 5.700 1.477) 5.890 14.369 ( 1.727 -2.356 0.787) 3.025 14.465 ( -1.356 -0.498 -0.688) 1.600 14.508 ( -3.587 -2.139 1.694) 4.507 14.601 ( -5.263 2.596 0.962) 5.947 14.697 ( 0.758 -4.785 4.399) 6.543 14.819 ( 8.215 -0.811 -2.427) 8.605 14.836 ( 10.283 -0.448 0.910) 10.333 15.095 ( 1.876 5.349 -0.024) 5.668 15.129 ( 1.258 -1.461 -4.211) 4.631 15.153 ( -1.694 3.125 1.227) 3.761 15.224 ( 1.281 -3.572 3.510) 5.169 15.314 ( -1.166 3.948 -1.953) 4.557 15.338 ( -0.096 2.974 -6.008) 6.705 15.396 ( -2.459 0.833 2.693) 3.741 15.484 ( -1.765 -6.610 1.546) 7.014 15.569 ( 0.672 -1.742 -2.503) 3.122 15.581 ( -0.025 0.471 1.860) 1.918 15.655 ( 1.880 2.073 -0.842) 2.923 15.694 ( 2.939 -1.434 0.354) 3.290 15.757 ( 1.453 2.511 -2.902) 4.103 15.808 ( 0.859 -0.394 0.940) 1.333 15.968 ( -4.518 3.242 -4.290) 7.024 16.038 ( -0.700 1.838 2.802) 3.424 16.044 ( -0.088 2.879 -0.521) 2.927 16.067 ( -1.890 -4.274 -0.379) 4.689 16.509 ( 3.804 3.516 -0.649) 5.221 16.576 ( 8.925 6.680 -2.176) 11.358 16.615 ( -0.410 -3.517 2.657) 4.427 16.752 ( 2.839 -8.132 1.103) 8.684 16.988 ( -3.508 9.497 -3.356) 10.666 17.106 ( -4.017 1.447 2.372) 4.884 17.167 ( -0.890 1.226 -8.463) 8.598 17.226 ( -1.990 -3.565 -9.380) 10.230 17.303 ( 0.375 10.453 4.424) 11.356 17.366 ( 0.507 -10.558 2.060) 10.769 17.383 ( -1.320 -2.131 0.061) 2.507 17.460 ( 3.538 -5.792 12.336) 14.080 17.752 ( -6.241 6.077 1.683) 8.872 17.817 ( -2.300 -3.609 -3.103) 5.287 17.936 ( -6.671 -9.043 2.968) 11.623 17.949 ( -5.608 -2.618 8.417) 10.447 ======================= Grid point 12 (8/24) ======================= q-point: (-0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.441 ( 9.690 -33.982 -9.856) 36.685 2.703 ( -7.604 -37.264 -25.654) 45.875 3.163 ( -6.697 15.100 0.312) 16.522 3.352 ( -5.514 9.353 16.139) 19.451 3.603 ( -12.653 -5.710 0.414) 13.888 3.687 ( -7.909 14.284 -0.362) 16.332 3.780 ( 5.538 15.016 -2.916) 16.268 3.911 ( -0.787 4.508 -1.179) 4.726 4.017 ( -1.768 3.405 -2.415) 4.533 4.083 ( -9.191 10.739 4.699) 14.896 4.241 ( -4.564 2.368 7.654) 9.221 4.299 ( -5.447 -5.417 7.737) 10.903 4.577 ( -12.447 9.220 7.836) 17.359 4.606 ( -4.085 7.924 9.325) 12.901 4.647 ( 6.475 9.161 -2.500) 11.494 4.770 ( 1.673 3.316 -5.514) 6.648 4.910 ( -4.741 -5.012 4.150) 8.051 4.938 ( 9.694 5.247 -4.242) 11.811 5.000 ( -2.551 -9.095 8.848) 12.943 5.035 ( -6.381 0.549 -3.424) 7.262 5.090 ( 1.645 1.862 -16.877) 17.059 5.194 ( -5.081 -13.538 3.488) 14.875 5.353 ( 8.095 -0.658 2.081) 8.384 5.511 ( 12.005 -10.574 -6.592) 17.303 5.758 ( 1.622 6.353 -12.035) 13.706 5.873 ( 19.862 -5.647 -6.232) 21.570 5.972 ( 7.669 3.907 -4.764) 9.837 6.124 ( 1.150 5.473 -6.630) 8.674 6.234 ( 8.759 -13.466 -5.404) 16.948 6.432 ( 5.559 -15.344 -15.789) 22.708 6.510 ( 4.744 -3.933 7.600) 9.785 6.708 ( 21.383 13.126 20.601) 32.464 6.924 ( 12.104 -13.023 29.275) 34.251 7.335 ( -5.305 14.846 -14.672) 21.537 7.517 ( -12.799 -2.526 -8.435) 15.535 7.580 ( -4.043 -2.992 1.279) 5.190 7.754 ( -1.340 0.450 13.851) 13.923 7.972 ( 10.312 13.250 0.355) 16.794 8.473 ( -7.483 6.048 -6.219) 11.457 8.608 ( -3.453 0.666 8.671) 9.357 8.914 ( -9.478 1.078 -10.890) 14.477 9.160 ( 3.147 -0.446 -3.203) 4.512 9.380 ( -9.853 -2.721 2.485) 10.520 9.416 ( -8.405 -9.894 4.096) 13.613 9.478 ( -8.362 -15.251 4.309) 17.919 10.040 ( -13.653 18.618 13.290) 26.639 10.101 ( -9.053 17.095 15.758) 24.950 10.236 ( -14.440 15.934 20.887) 29.978 11.165 ( 9.182 -2.672 -9.048) 13.165 11.362 ( 1.354 -8.964 -3.885) 9.864 11.448 ( 6.309 -3.171 -5.501) 8.951 11.493 ( 3.628 -0.518 -4.389) 5.718 11.509 ( 1.396 -4.800 -0.457) 5.020 11.651 ( 2.855 0.232 -2.604) 3.871 11.837 ( -1.011 4.275 -0.405) 4.412 11.850 ( -1.303 -0.459 -0.958) 1.681 11.967 ( -2.155 -1.280 -2.076) 3.254 12.019 ( 1.192 -3.859 1.817) 4.429 12.082 ( -2.060 -2.463 1.184) 3.422 12.166 ( 5.705 1.597 1.709) 6.165 12.247 ( 0.486 3.638 -1.469) 3.954 12.320 ( 3.478 0.162 0.050) 3.482 12.358 ( 1.362 -0.084 0.063) 1.366 12.412 ( 1.770 3.533 -0.634) 4.002 12.476 ( 4.026 -2.294 1.746) 4.952 12.576 ( -1.223 0.342 1.504) 1.969 12.696 ( 2.289 -3.130 -5.005) 6.332 12.717 ( -1.910 -3.223 -0.473) 3.777 12.797 ( -2.751 -1.177 -3.579) 4.665 12.886 ( 6.665 0.263 3.368) 7.472 13.144 ( -3.796 -1.684 -6.198) 7.461 13.380 ( -7.309 -4.883 1.482) 8.914 13.551 ( 7.462 -6.233 -6.381) 11.629 13.657 ( 9.985 -3.907 -1.078) 10.776 13.840 ( -0.432 -5.446 -9.352) 10.831 13.995 ( 6.777 3.083 -8.621) 11.391 14.168 ( -1.108 1.389 -3.002) 3.488 14.221 ( 2.301 -2.700 5.445) 6.499 14.326 ( -0.567 -1.653 -0.819) 1.930 14.355 ( -1.414 -3.202 0.973) 3.633 14.381 ( -2.861 -5.467 -2.446) 6.637 14.499 ( 3.445 -1.941 0.419) 3.976 14.581 ( -3.661 -0.265 0.290) 3.682 14.678 ( -0.253 -4.492 0.459) 4.523 14.814 ( 7.216 3.130 -1.677) 8.042 14.878 ( 8.802 0.381 -0.176) 8.812 15.018 ( 0.239 -2.205 -4.717) 5.212 15.066 ( -0.912 -0.026 -8.576) 8.625 15.153 ( 0.100 -5.157 0.574) 5.190 15.211 ( -2.394 -2.105 0.251) 3.198 15.253 ( -0.667 -2.835 -1.346) 3.209 15.344 ( 1.947 0.770 -1.164) 2.396 15.347 ( 0.966 -1.482 -1.141) 2.105 15.500 ( -0.003 -2.663 -2.815) 3.875 15.528 ( 0.216 3.131 1.571) 3.510 15.587 ( 2.435 -1.756 0.648) 3.071 15.614 ( 3.630 -0.976 -4.477) 5.846 15.666 ( 1.707 -2.239 1.607) 3.241 15.786 ( -0.529 2.439 -0.875) 2.645 15.824 ( -1.510 -1.474 -0.461) 2.160 15.875 ( -1.434 -2.545 -3.495) 4.555 16.049 ( 0.956 -1.334 -0.664) 1.770 16.057 ( 0.400 1.169 -1.216) 1.733 16.117 ( -1.603 -0.917 1.811) 2.586 16.504 ( -2.750 -2.003 1.443) 3.696 16.622 ( -1.079 1.483 -2.282) 2.927 16.638 ( 8.565 3.337 0.019) 9.192 16.743 ( 3.408 2.533 0.456) 4.271 16.845 ( 1.137 7.079 -15.335) 16.928 17.028 ( -2.993 -0.107 -0.805) 3.101 17.168 ( -5.011 -9.875 3.968) 11.763 17.188 ( 0.499 -2.234 -0.420) 2.327 17.265 ( -0.516 -4.408 5.214) 6.847 17.296 ( 3.620 -6.851 3.315) 8.428 17.411 ( -0.744 -9.745 -1.533) 9.893 17.481 ( 1.930 -13.528 -2.289) 13.855 17.597 ( -4.261 -11.157 -6.828) 13.757 17.812 ( -4.558 26.804 10.803) 29.256 18.182 ( -6.007 21.483 9.575) 24.276 18.374 ( -9.408 9.238 19.644) 23.659 ======================= Grid point 17 (9/24) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.878 ( 1.376 3.828 -6.520) 7.685 2.971 ( -2.388 -4.486 -6.735) 8.437 3.054 ( 1.234 0.107 19.289) 19.329 3.123 ( -5.541 -1.339 10.764) 12.180 3.322 ( -9.259 -12.495 1.207) 15.599 3.515 ( -4.231 -9.358 9.557) 14.029 3.656 ( -8.109 -5.500 -4.257) 10.683 3.727 ( 3.121 2.590 -12.359) 13.007 3.776 ( -9.558 -6.070 -12.873) 17.144 3.852 ( 6.978 5.681 -13.751) 16.434 3.917 ( -24.241 -20.800 -6.784) 32.654 4.176 ( -8.642 -11.065 -0.657) 14.055 4.457 ( 3.827 -2.049 -1.042) 4.465 4.512 ( -7.932 4.243 -4.017) 9.852 4.561 ( 4.176 -6.314 -0.434) 7.583 4.666 ( -4.361 -1.526 -5.787) 7.405 4.892 ( 7.476 0.063 -1.006) 7.544 4.910 ( 3.333 10.103 -7.946) 13.278 5.100 ( -5.714 -6.149 14.139) 16.443 5.184 ( 8.107 2.946 -0.926) 8.675 5.235 ( -9.793 -0.243 2.547) 10.122 5.415 ( -2.808 1.271 6.898) 7.555 5.516 ( 12.899 10.584 -15.547) 22.806 5.746 ( 16.859 16.426 19.615) 30.640 5.843 ( 20.626 14.443 7.632) 26.311 6.038 ( -0.006 8.767 -2.044) 9.002 6.063 ( 18.568 8.576 0.456) 20.458 6.298 ( 10.533 9.966 0.579) 14.513 6.560 ( -4.380 10.854 -17.586) 21.125 6.635 ( 14.380 2.337 8.184) 16.710 6.766 ( 9.116 7.893 6.972) 13.929 6.907 ( -1.503 2.852 -9.134) 9.687 7.016 ( 1.276 10.691 18.394) 21.313 7.256 ( -13.318 -1.703 -0.300) 13.430 7.280 ( 11.074 -19.649 -0.241) 22.556 7.555 ( -5.101 -2.577 -1.798) 5.991 7.767 ( 1.886 2.890 13.676) 14.105 8.021 ( -6.280 7.553 -4.959) 11.004 8.213 ( -5.208 -13.481 -9.346) 17.210 8.544 ( -2.753 -5.986 5.532) 8.603 8.836 ( 2.265 4.515 -0.395) 5.066 9.094 ( -9.258 -5.310 -15.382) 18.722 9.289 ( 1.664 -4.932 7.453) 9.091 9.358 ( -3.270 -5.046 -0.068) 6.013 9.526 ( -14.382 -9.550 5.184) 18.026 9.681 ( -13.197 -16.030 8.292) 22.358 9.807 ( -14.779 -14.455 1.194) 20.707 9.834 ( -19.837 -17.987 -3.319) 26.982 11.358 ( 6.374 10.426 3.395) 12.683 11.454 ( 9.357 2.826 -3.927) 10.533 11.504 ( 1.657 3.424 -2.158) 4.373 11.563 ( 5.011 4.723 -1.935) 7.153 11.593 ( 1.241 4.249 0.308) 4.437 11.704 ( 3.908 0.145 4.763) 6.163 11.726 ( -0.355 -1.583 -3.953) 4.273 11.847 ( -4.486 -1.037 -1.568) 4.864 11.972 ( 2.604 -0.680 3.011) 4.039 12.053 ( -0.694 -0.090 2.062) 2.178 12.109 ( -3.934 -2.319 4.140) 6.164 12.160 ( -3.985 -3.854 -2.338) 6.017 12.273 ( 2.722 8.100 -1.746) 8.721 12.313 ( 6.763 1.433 -4.964) 8.511 12.364 ( 0.768 2.490 -4.084) 4.844 12.446 ( 0.920 1.411 2.175) 2.751 12.547 ( 1.394 0.997 1.562) 2.319 12.558 ( 0.248 -0.398 0.369) 0.597 12.694 ( 5.353 2.117 -4.131) 7.086 12.761 ( 1.011 0.371 3.994) 4.137 12.814 ( -2.856 -0.470 1.344) 3.192 12.986 ( 0.598 2.527 3.557) 4.404 13.099 ( -0.518 -1.254 -2.945) 3.242 13.360 ( -5.164 -6.152 6.485) 10.323 13.718 ( 5.399 6.208 1.617) 8.385 13.785 ( 7.046 4.441 0.834) 8.371 13.884 ( 2.324 3.154 -2.941) 4.899 14.086 ( 1.923 7.852 -2.461) 8.450 14.113 ( 4.164 0.850 -2.727) 5.049 14.258 ( -3.548 -5.930 2.255) 7.269 14.298 ( 2.068 3.610 -2.145) 4.680 14.395 ( 0.191 -0.489 4.097) 4.131 14.464 ( -2.119 1.161 5.134) 5.674 14.485 ( -1.560 -3.065 -2.719) 4.384 14.532 ( -3.043 -4.584 1.785) 5.785 14.740 ( -1.597 -1.546 4.818) 5.306 14.900 ( 5.388 6.772 -0.701) 8.682 14.978 ( 2.877 3.211 -3.609) 5.623 15.060 ( 5.185 3.836 1.522) 6.627 15.079 ( 4.721 3.278 0.825) 5.806 15.141 ( -0.374 -0.055 -2.936) 2.960 15.267 ( 1.768 0.183 2.611) 3.159 15.275 ( 0.180 0.824 2.417) 2.560 15.307 ( -0.240 1.199 -4.450) 4.615 15.372 ( -1.767 -2.713 0.446) 3.268 15.508 ( -0.837 -1.218 0.411) 1.534 15.536 ( 0.291 2.410 1.924) 3.097 15.616 ( -0.785 -0.992 -2.693) 2.976 15.668 ( 1.457 1.185 0.997) 2.126 15.735 ( 2.778 3.614 4.420) 6.349 15.753 ( -0.573 1.331 -3.891) 4.152 15.831 ( -1.100 1.262 -1.094) 2.000 15.849 ( 2.800 -1.466 -1.684) 3.582 16.026 ( 0.621 -0.085 -2.697) 2.769 16.034 ( -0.735 -2.438 1.363) 2.888 16.081 ( -4.338 -2.083 -0.873) 4.891 16.551 ( 4.669 1.195 5.258) 7.133 16.648 ( 8.437 3.105 -0.533) 9.006 16.679 ( -0.316 4.721 -2.111) 5.181 16.759 ( -2.255 2.907 -5.047) 6.246 16.838 ( 12.896 9.561 -2.976) 16.327 17.013 ( -0.658 1.600 -1.569) 2.336 17.167 ( -2.759 -5.327 -4.694) 7.617 17.209 ( -5.641 -0.449 5.697) 8.029 17.265 ( 1.305 -4.071 -3.001) 5.224 17.365 ( -4.232 -1.003 -9.030) 10.023 17.471 ( -1.914 -2.106 8.443) 8.910 17.614 ( -1.789 -3.286 5.492) 6.645 17.679 ( -1.879 -1.613 17.533) 17.707 17.718 ( -0.311 -1.398 14.766) 14.835 17.854 ( -6.971 -5.959 -9.224) 13.007 18.060 ( -15.972 -15.972 -9.034) 24.328 ======================= Grid point 64 (10/24) ======================= q-point: ( 0.14 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( 20.374 20.374 20.374) 35.289 2.291 ( 20.374 20.374 20.374) 35.289 3.291 ( -9.921 -9.921 -9.921) 17.183 3.334 ( -7.601 -7.601 -7.601) 13.165 3.334 ( -7.601 -7.601 -7.601) 13.165 3.767 ( -0.549 -0.549 -0.549) 0.951 3.908 ( -3.298 -3.298 -3.298) 5.713 3.908 ( -3.298 -3.298 -3.298) 5.713 3.995 ( 0.856 0.856 0.856) 1.483 4.115 ( 19.205 19.205 19.205) 33.263 4.271 ( -20.804 -20.804 -20.804) 36.034 4.271 ( -20.804 -20.804 -20.804) 36.034 4.604 ( -12.500 -12.500 -12.500) 21.650 4.715 ( 5.200 5.200 5.200) 9.007 4.717 ( -1.469 -1.469 -1.469) 2.545 4.717 ( -1.469 -1.469 -1.469) 2.545 4.827 ( -3.476 -3.476 -3.476) 6.021 4.827 ( -3.476 -3.476 -3.476) 6.021 4.976 ( -5.392 -5.392 -5.392) 9.339 4.976 ( -5.392 -5.392 -5.392) 9.339 4.991 ( 5.680 5.680 5.680) 9.839 5.315 ( 7.183 7.183 7.183) 12.441 5.315 ( 7.183 7.183 7.183) 12.441 5.660 ( 4.140 4.140 4.140) 7.171 5.789 ( 10.027 10.027 10.027) 17.368 5.998 ( 14.335 14.335 14.335) 24.830 5.998 ( 14.335 14.335 14.335) 24.830 6.149 ( 3.421 3.421 3.421) 5.925 6.302 ( 6.646 6.646 6.646) 11.511 6.302 ( 6.646 6.646 6.646) 11.511 6.811 ( -0.618 -0.618 -0.618) 1.070 6.811 ( -0.618 -0.618 -0.618) 1.070 7.129 ( -1.088 -1.088 -1.088) 1.884 7.160 ( -0.241 -0.241 -0.241) 0.417 7.513 ( -3.759 -3.759 -3.759) 6.511 7.513 ( -3.759 -3.759 -3.759) 6.511 7.745 ( -2.523 -2.523 -2.523) 4.370 8.367 ( -4.296 -4.296 -4.296) 7.440 8.367 ( -4.296 -4.296 -4.296) 7.440 8.379 ( -1.501 -1.501 -1.501) 2.600 8.983 ( -2.545 -2.545 -2.545) 4.409 9.184 ( -2.463 -2.463 -2.463) 4.266 9.184 ( -2.463 -2.463 -2.463) 4.266 9.250 ( 0.247 0.247 0.247) 0.429 9.250 ( 0.247 0.247 0.247) 0.429 10.070 ( -19.070 -19.070 -19.070) 33.029 10.207 ( -18.642 -18.642 -18.642) 32.289 10.207 ( -18.642 -18.642 -18.642) 32.289 11.262 ( 6.656 6.656 6.656) 11.528 11.262 ( 6.656 6.656 6.656) 11.528 11.443 ( 7.217 7.217 7.217) 12.500 11.503 ( 3.328 3.328 3.328) 5.764 11.503 ( 3.328 3.328 3.328) 5.764 11.693 ( 2.360 2.360 2.360) 4.088 11.873 ( 1.710 1.710 1.710) 2.962 11.882 ( -1.192 -1.192 -1.192) 2.065 11.882 ( -1.192 -1.192 -1.192) 2.065 12.030 ( -0.769 -0.769 -0.769) 1.332 12.030 ( -0.769 -0.769 -0.769) 1.332 12.213 ( -0.424 -0.424 -0.424) 0.734 12.316 ( 2.835 2.835 2.835) 4.911 12.316 ( 2.835 2.835 2.835) 4.911 12.375 ( 0.049 0.049 0.049) 0.085 12.483 ( -0.959 -0.959 -0.959) 1.661 12.516 ( 2.183 2.183 2.183) 3.782 12.516 ( 2.183 2.183 2.183) 3.782 12.717 ( 3.046 3.046 3.046) 5.276 12.720 ( 0.027 0.027 0.027) 0.047 12.720 ( 0.027 0.027 0.027) 0.047 13.014 ( 0.731 0.731 0.731) 1.265 13.014 ( 0.730 0.730 0.730) 1.265 13.289 ( -1.356 -1.356 -1.356) 2.348 13.569 ( 8.184 8.184 8.184) 14.175 13.744 ( 5.800 5.800 5.800) 10.046 13.744 ( 5.800 5.800 5.800) 10.046 14.133 ( 4.941 4.941 4.941) 8.558 14.133 ( 4.941 4.941 4.941) 8.558 14.226 ( -1.873 -1.873 -1.873) 3.245 14.295 ( 0.733 0.733 0.733) 1.269 14.295 ( 0.733 0.733 0.733) 1.269 14.299 ( 2.408 2.408 2.408) 4.171 14.541 ( -2.566 -2.566 -2.566) 4.444 14.593 ( 0.843 0.843 0.843) 1.461 14.593 ( 0.843 0.843 0.843) 1.461 14.953 ( 1.964 1.964 1.964) 3.403 14.953 ( 1.964 1.964 1.964) 3.403 14.981 ( 6.025 6.025 6.025) 10.435 15.068 ( 2.982 2.982 2.982) 5.166 15.068 ( 2.982 2.982 2.982) 5.166 15.209 ( -0.471 -0.471 -0.471) 0.816 15.209 ( -0.471 -0.471 -0.471) 0.816 15.320 ( 1.689 1.689 1.689) 2.925 15.429 ( 0.421 0.421 0.421) 0.729 15.429 ( 0.421 0.421 0.421) 0.729 15.504 ( 1.941 1.941 1.941) 3.361 15.639 ( 1.279 1.279 1.279) 2.216 15.639 ( 1.279 1.279 1.279) 2.216 15.678 ( 0.963 0.963 0.963) 1.668 15.784 ( 0.406 0.406 0.406) 0.702 15.817 ( 0.788 0.788 0.788) 1.364 15.817 ( 0.788 0.788 0.788) 1.364 16.035 ( 4.004 4.004 4.004) 6.935 16.085 ( 0.099 0.099 0.099) 0.172 16.085 ( 0.099 0.099 0.099) 0.172 16.429 ( -1.599 -1.599 -1.599) 2.770 16.677 ( 1.349 1.349 1.349) 2.336 16.677 ( 1.349 1.349 1.349) 2.336 16.904 ( 0.929 0.929 0.929) 1.609 16.904 ( 0.929 0.929 0.929) 1.609 16.911 ( -3.473 -3.473 -3.473) 6.016 17.117 ( 2.925 2.925 2.925) 5.066 17.117 ( 2.925 2.925 2.925) 5.066 17.191 ( -1.802 -1.802 -1.802) 3.121 17.318 ( 5.250 5.250 5.250) 9.093 17.396 ( 2.621 2.621 2.621) 4.539 17.406 ( 2.853 2.853 2.853) 4.941 17.406 ( 2.853 2.853 2.853) 4.941 17.993 ( -15.419 -15.419 -15.419) 26.706 18.328 ( -13.641 -13.641 -13.641) 23.627 18.328 ( -13.641 -13.641 -13.641) 23.627 ======================= Grid point 65 (11/24) ======================= q-point: ( 0.29 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.746 ( 10.354 12.569 12.030) 20.247 2.932 ( -6.942 19.190 20.946) 29.244 3.051 ( -3.281 -9.566 -8.085) 12.947 3.077 ( -10.895 -1.875 0.388) 11.062 3.281 ( -22.789 4.928 -3.202) 23.534 3.346 ( -11.816 -12.516 -17.294) 24.400 3.563 ( -22.035 -24.271 -8.300) 33.816 3.661 ( -27.266 -11.511 -19.560) 35.476 3.945 ( -1.694 -2.492 -0.234) 3.023 3.954 ( -0.489 -1.622 -0.772) 1.862 3.972 ( -2.639 -0.848 -1.397) 3.104 4.095 ( -0.411 -9.441 -11.927) 15.217 4.481 ( 8.002 -2.798 -3.603) 9.211 4.533 ( 0.625 -7.161 -5.488) 9.043 4.718 ( -7.816 5.022 -4.755) 10.436 4.739 ( -5.935 0.230 4.131) 7.235 4.780 ( -7.891 -8.134 4.425) 12.165 4.807 ( -14.504 3.786 -4.166) 15.558 4.845 ( -11.008 4.879 -3.298) 12.484 4.929 ( -19.319 -6.814 2.322) 20.617 5.487 ( 20.193 5.988 8.210) 22.606 5.530 ( 22.881 16.637 10.951) 30.336 5.645 ( 11.693 5.339 13.067) 18.330 5.751 ( 13.015 4.314 3.724) 14.208 5.966 ( 26.594 14.700 11.753) 32.580 6.185 ( 24.784 14.906 -1.252) 28.949 6.342 ( 21.664 -4.572 7.949) 23.525 6.521 ( 12.537 -1.624 19.360) 23.122 6.537 ( 15.925 11.096 2.717) 19.599 6.662 ( 19.120 10.695 -13.764) 25.873 6.715 ( 12.031 -10.098 11.123) 19.247 6.779 ( 24.388 -10.289 -20.897) 33.724 6.894 ( 7.397 9.978 18.501) 22.284 7.304 ( -10.303 -4.654 -11.967) 16.462 7.385 ( -13.179 12.906 1.446) 18.503 7.500 ( -11.188 -11.337 6.328) 17.139 7.680 ( 6.078 8.845 -0.536) 10.746 8.012 ( 5.830 -20.564 -7.842) 22.768 8.344 ( -14.466 10.731 -9.929) 20.567 8.372 ( -13.793 -7.887 4.273) 16.454 8.953 ( -4.605 0.110 6.926) 8.318 9.079 ( -5.659 0.948 -6.479) 8.654 9.195 ( -13.229 -0.031 1.610) 13.326 9.259 ( -5.186 0.398 -1.290) 5.359 9.348 ( -14.390 5.428 8.377) 17.513 9.556 ( -21.788 -10.888 -14.146) 28.167 9.678 ( -17.495 -15.810 -14.096) 27.472 9.716 ( -20.907 -15.908 -15.290) 30.396 11.419 ( 8.251 3.130 7.204) 11.392 11.457 ( 5.489 6.433 2.861) 8.928 11.548 ( 6.206 2.739 -1.476) 6.942 11.598 ( 6.284 0.410 2.498) 6.775 11.631 ( 2.373 2.790 6.215) 7.214 11.708 ( 3.324 -0.585 -1.141) 3.563 11.778 ( -2.020 0.906 -5.209) 5.660 11.820 ( -4.654 -5.907 -0.565) 7.542 11.959 ( 1.103 4.321 1.953) 4.868 12.014 ( -1.014 -1.399 -0.065) 1.729 12.061 ( -2.250 2.220 2.308) 3.914 12.150 ( -1.985 -3.790 -3.406) 5.468 12.364 ( 5.803 0.144 3.000) 6.534 12.383 ( 3.229 1.876 -0.868) 3.834 12.409 ( 3.253 0.691 1.829) 3.796 12.440 ( 2.883 -1.356 -1.696) 3.609 12.534 ( 6.521 1.089 1.198) 6.719 12.574 ( 3.932 -0.633 -1.448) 4.238 12.724 ( -0.035 3.195 1.569) 3.560 12.760 ( -1.006 0.620 0.868) 1.466 12.831 ( 0.823 3.439 4.342) 5.599 12.923 ( 5.891 -3.573 -3.096) 7.554 13.138 ( -8.248 3.742 4.605) 10.160 13.234 ( -6.529 -1.971 -3.181) 7.526 13.755 ( 8.573 4.362 4.765) 10.734 13.814 ( 9.866 1.117 -0.047) 9.930 13.951 ( -0.189 6.671 6.676) 9.440 14.118 ( 0.446 -6.094 -3.904) 7.251 14.188 ( 2.529 -0.000 2.116) 3.297 14.215 ( 1.922 1.007 -1.271) 2.515 14.335 ( 2.000 5.457 -2.832) 6.465 14.345 ( -0.306 -1.787 3.700) 4.120 14.397 ( -2.190 2.759 4.990) 6.108 14.497 ( -0.030 -2.003 -2.410) 3.134 14.566 ( -1.112 1.219 1.515) 2.240 14.620 ( -3.726 -0.608 -0.917) 3.885 14.956 ( 9.069 0.692 0.886) 9.138 15.001 ( 8.878 -1.753 -1.141) 9.121 15.097 ( 2.742 5.387 2.896) 6.702 15.147 ( 1.534 2.661 3.081) 4.351 15.167 ( -0.118 -0.786 1.829) 1.994 15.197 ( 0.741 0.329 -0.736) 1.095 15.273 ( -2.993 4.648 2.775) 6.186 15.338 ( -1.546 -0.761 -0.776) 1.890 15.399 ( 2.878 -0.873 1.904) 3.560 15.458 ( -1.080 -0.133 -2.238) 2.489 15.542 ( -0.528 1.741 2.137) 2.806 15.624 ( 1.959 -3.847 -2.867) 5.183 15.692 ( 2.841 3.819 -0.078) 4.761 15.698 ( 1.461 -0.071 3.672) 3.953 15.797 ( 1.164 -1.592 0.393) 2.010 15.830 ( -0.027 -0.405 -0.594) 0.719 15.872 ( -4.077 5.475 3.779) 7.802 16.014 ( -3.914 -3.621 -4.690) 7.101 16.033 ( -1.874 -1.334 -1.038) 2.523 16.069 ( -1.931 -2.147 -1.498) 3.253 16.500 ( 2.241 6.691 4.867) 8.572 16.659 ( 5.283 -4.641 -2.810) 7.573 16.726 ( 5.842 3.332 -0.894) 6.785 16.806 ( 0.100 -7.553 -0.689) 7.585 16.928 ( 0.925 8.029 1.926) 8.308 17.031 ( -3.218 -0.216 3.457) 4.728 17.152 ( -3.508 5.318 2.987) 7.037 17.213 ( 4.762 4.762 6.031) 9.040 17.278 ( 1.197 1.683 3.921) 4.432 17.389 ( 7.096 -1.683 2.015) 7.566 17.421 ( 4.466 1.691 -2.129) 5.228 17.499 ( -8.313 -13.661 -15.619) 22.354 17.553 ( -3.464 9.865 8.675) 13.586 17.635 ( -8.203 6.774 7.877) 13.237 17.913 ( -9.211 -14.264 -12.930) 21.342 17.961 ( -11.757 -12.449 -13.367) 21.723 ======================= Grid point 69 (12/24) ======================= q-point: (-0.14 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( 51.691 -0.000 -0.000) 51.691 1.575 ( 53.513 -0.000 -0.000) 53.513 2.327 ( 79.149 -0.000 -0.000) 79.149 3.474 ( -4.594 0.000 0.000) 4.594 3.483 ( -0.642 0.000 0.000) 0.642 3.522 ( -1.306 0.000 0.000) 1.306 3.918 ( -14.132 0.000 0.000) 14.132 4.097 ( -13.665 0.000 0.000) 13.665 4.143 ( 1.816 -0.000 -0.000) 1.816 4.267 ( 0.742 -0.000 -0.000) 0.742 4.355 ( 9.354 -0.000 -0.000) 9.354 4.371 ( 3.784 -0.000 -0.000) 3.784 4.528 ( 18.435 -0.000 -0.000) 18.435 4.532 ( 5.505 -0.000 -0.000) 5.505 4.613 ( 8.799 -0.000 -0.000) 8.799 4.754 ( 11.668 -0.000 -0.000) 11.668 4.786 ( 9.948 -0.000 -0.000) 9.948 4.918 ( 20.971 -0.000 -0.000) 20.971 5.011 ( 1.430 -0.000 -0.000) 1.430 5.023 ( 27.204 -0.000 -0.000) 27.204 5.145 ( 19.856 -0.000 -0.000) 19.856 5.422 ( -35.067 0.000 0.000) 35.067 5.590 ( -28.355 0.000 0.000) 28.355 5.657 ( -3.879 0.000 0.000) 3.879 5.762 ( -33.421 0.000 0.000) 33.421 5.845 ( -33.062 0.000 0.000) 33.062 5.856 ( -27.144 0.000 0.000) 27.144 6.027 ( -29.902 0.000 0.000) 29.902 6.271 ( -32.056 0.000 0.000) 32.056 6.611 ( 0.925 -0.000 -0.000) 0.925 7.078 ( -10.246 0.000 0.000) 10.246 7.117 ( -16.967 0.000 0.000) 16.967 7.136 ( 5.088 -0.000 -0.000) 5.088 7.170 ( 2.298 -0.000 -0.000) 2.298 7.517 ( 15.137 -0.000 -0.000) 15.137 7.582 ( -13.881 0.000 0.000) 13.881 7.744 ( -11.140 0.000 0.000) 11.140 8.274 ( -2.470 0.000 0.000) 2.470 8.316 ( 8.102 -0.000 -0.000) 8.102 8.688 ( 23.875 -0.000 -0.000) 23.875 8.818 ( -5.329 0.000 0.000) 5.329 8.887 ( -10.828 0.000 0.000) 10.828 9.308 ( 13.487 -0.000 -0.000) 13.487 9.358 ( 14.091 -0.000 -0.000) 14.091 9.428 ( 23.885 -0.000 -0.000) 23.885 10.688 ( -19.264 0.000 0.000) 19.264 10.695 ( -24.894 0.000 0.000) 24.894 10.861 ( -3.755 0.000 0.000) 3.755 11.116 ( -10.321 0.000 0.000) 10.321 11.155 ( 10.010 -0.000 -0.000) 10.010 11.165 ( 7.068 -0.000 -0.000) 7.068 11.357 ( 5.879 -0.000 -0.000) 5.879 11.374 ( 0.464 -0.000 -0.000) 0.464 11.492 ( 2.810 -0.000 -0.000) 2.810 11.656 ( 0.813 -0.000 -0.000) 0.813 11.890 ( 11.361 -0.000 -0.000) 11.361 11.956 ( 6.380 -0.000 -0.000) 6.380 12.004 ( -9.283 0.000 0.000) 9.283 12.153 ( -5.095 0.000 0.000) 5.095 12.228 ( -0.320 0.000 0.000) 0.320 12.254 ( -0.577 0.000 0.000) 0.577 12.360 ( 1.709 -0.000 -0.000) 1.709 12.378 ( 4.016 -0.000 -0.000) 4.016 12.379 ( -6.107 0.000 0.000) 6.107 12.422 ( -0.786 0.000 0.000) 0.786 12.523 ( -8.887 0.000 0.000) 8.887 12.656 ( 7.705 -0.000 -0.000) 7.705 12.722 ( -0.681 0.000 0.000) 0.681 12.786 ( 1.808 -0.000 -0.000) 1.808 12.933 ( -3.251 0.000 0.000) 3.251 12.997 ( 1.592 -0.000 -0.000) 1.592 13.154 ( 10.026 -0.000 -0.000) 10.026 13.339 ( 4.676 -0.000 -0.000) 4.676 13.510 ( 9.548 -0.000 -0.000) 9.548 13.518 ( 7.814 -0.000 -0.000) 7.814 13.744 ( 1.042 -0.000 -0.000) 1.042 14.056 ( 15.050 -0.000 -0.000) 15.050 14.257 ( 9.862 -0.000 -0.000) 9.862 14.289 ( 0.810 -0.000 -0.000) 0.810 14.340 ( -1.232 0.000 0.000) 1.232 14.362 ( 4.457 -0.000 -0.000) 4.457 14.363 ( 4.786 -0.000 -0.000) 4.786 14.416 ( 1.762 -0.000 -0.000) 1.762 14.607 ( 9.700 -0.000 -0.000) 9.700 14.720 ( -1.913 0.000 0.000) 1.913 14.808 ( -6.940 0.000 0.000) 6.940 14.872 ( 7.104 -0.000 -0.000) 7.104 14.961 ( -3.047 0.000 0.000) 3.047 15.068 ( 4.592 -0.000 -0.000) 4.592 15.248 ( 3.199 -0.000 -0.000) 3.199 15.283 ( -2.949 0.000 0.000) 2.949 15.313 ( -2.710 0.000 0.000) 2.710 15.332 ( 0.104 -0.000 -0.000) 0.104 15.432 ( 3.261 -0.000 -0.000) 3.261 15.505 ( 0.788 -0.000 -0.000) 0.788 15.528 ( 1.718 -0.000 -0.000) 1.718 15.544 ( -2.087 0.000 0.000) 2.087 15.605 ( 6.110 -0.000 -0.000) 6.110 15.784 ( 3.657 -0.000 -0.000) 3.657 15.809 ( 1.614 -0.000 -0.000) 1.614 15.809 ( 6.621 -0.000 -0.000) 6.621 15.870 ( 2.834 -0.000 -0.000) 2.834 15.904 ( 15.938 -0.000 -0.000) 15.938 15.951 ( 5.614 -0.000 -0.000) 5.614 16.657 ( -9.763 0.000 0.000) 9.763 16.669 ( 5.069 -0.000 -0.000) 5.069 16.722 ( -10.709 0.000 0.000) 10.709 16.758 ( -6.324 0.000 0.000) 6.324 16.786 ( -8.657 0.000 0.000) 8.657 17.055 ( -1.755 0.000 0.000) 1.755 17.084 ( 6.894 -0.000 -0.000) 6.894 17.141 ( 4.175 -0.000 -0.000) 4.175 17.241 ( 6.937 -0.000 -0.000) 6.937 17.276 ( 8.399 -0.000 -0.000) 8.399 17.279 ( 9.190 -0.000 -0.000) 9.190 17.280 ( 6.225 -0.000 -0.000) 6.225 17.476 ( 2.631 -0.000 -0.000) 2.631 18.424 ( -25.414 0.000 0.000) 25.414 18.701 ( -20.617 0.000 0.000) 20.617 18.880 ( -7.423 0.000 0.000) 7.423 ======================= Grid point 72 (13/24) ======================= q-point: ( 0.29 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.962 ( 1.161 0.283 -4.672) 4.823 2.962 ( 2.917 3.794 0.594) 4.823 2.979 ( -4.161 -4.161 4.161) 7.208 3.059 ( -3.793 -5.310 -2.273) 6.910 3.059 ( -0.760 0.757 6.826) 6.910 3.150 ( -12.234 -12.234 12.234) 21.190 3.272 ( -13.039 -15.031 5.072) 20.535 3.272 ( -9.055 -7.064 17.023) 20.535 3.916 ( 4.296 4.011 -5.438) 8.007 3.916 ( 4.867 5.152 -3.725) 8.007 3.956 ( -1.230 -1.230 1.230) 2.131 3.999 ( -3.418 -3.418 3.418) 5.920 4.488 ( 6.605 6.605 -6.605) 11.440 4.541 ( 1.313 0.162 -5.915) 6.061 4.541 ( 3.614 4.765 0.988) 6.061 4.631 ( 0.259 0.259 -0.259) 0.449 4.750 ( -8.832 -9.298 6.966) 14.594 4.750 ( -7.899 -7.432 9.765) 14.594 4.800 ( -11.931 -12.735 8.715) 19.506 4.800 ( -10.323 -9.519 13.538) 19.506 5.627 ( 13.497 13.497 -13.497) 23.378 5.784 ( 5.544 4.474 -9.822) 12.133 5.784 ( 7.683 8.752 -3.405) 12.133 5.893 ( -1.801 -1.801 1.801) 3.119 6.445 ( 18.907 17.036 -26.392) 36.664 6.445 ( 22.650 24.521 -15.164) 36.664 6.641 ( 10.511 10.511 -10.511) 18.205 6.695 ( 7.177 3.580 -21.563) 23.006 6.695 ( 14.370 17.966 0.016) 23.006 6.846 ( 8.848 8.848 -8.848) 15.326 6.946 ( -3.409 -5.300 -4.154) 7.548 6.946 ( 0.372 2.263 7.191) 7.548 6.980 ( -1.320 -1.320 1.320) 2.286 7.088 ( -10.760 -14.577 -4.511) 18.671 7.088 ( -3.125 0.693 18.395) 18.671 7.416 ( -8.129 -8.129 8.129) 14.081 7.887 ( 1.686 1.686 -1.686) 2.921 8.008 ( -1.656 -4.405 -9.338) 10.457 8.008 ( 3.841 6.590 7.154) 10.457 8.314 ( -12.113 -12.113 12.113) 20.980 8.959 ( 1.179 -0.898 -9.486) 9.601 8.959 ( 5.332 7.409 2.975) 9.601 9.127 ( -10.097 -10.097 10.097) 17.488 9.228 ( -12.636 -12.636 12.636) 21.887 9.288 ( -2.609 -3.050 0.845) 4.101 9.288 ( -1.727 -1.286 3.491) 4.101 9.386 ( -11.969 -12.643 9.272) 19.725 9.386 ( -10.621 -9.946 13.318) 19.725 11.547 ( 3.056 2.475 -5.380) 6.664 11.547 ( 4.218 4.799 -1.894) 6.664 11.629 ( 4.297 4.297 -4.297) 7.443 11.660 ( -1.516 -2.705 -3.240) 4.485 11.660 ( 0.862 2.051 3.894) 4.485 11.690 ( 2.267 2.267 -2.267) 3.927 11.745 ( -2.928 -3.667 -0.028) 4.692 11.745 ( -1.450 -0.711 4.405) 4.692 11.984 ( 1.533 1.533 -1.533) 2.655 12.055 ( -1.919 -2.796 -1.590) 3.745 12.055 ( -0.164 0.713 3.673) 3.745 12.070 ( -1.363 -1.363 1.363) 2.360 12.407 ( 2.139 2.139 -2.139) 3.705 12.424 ( 1.947 1.650 -3.134) 4.042 12.424 ( 2.541 2.838 -1.353) 4.042 12.460 ( -0.405 -0.405 0.405) 0.702 12.609 ( 3.439 3.312 -3.951) 6.197 12.609 ( 3.695 3.823 -3.184) 6.197 12.746 ( -2.704 -3.017 1.453) 4.304 12.746 ( -2.079 -1.766 3.330) 4.304 12.858 ( 7.227 7.227 -7.227) 12.518 13.026 ( -3.007 -4.992 -4.931) 7.634 13.026 ( 0.962 2.946 6.976) 7.634 13.165 ( -7.485 -7.485 7.485) 12.964 13.868 ( 4.630 4.630 -4.630) 8.020 13.938 ( 1.039 -0.512 -7.245) 7.337 13.938 ( 4.142 5.694 2.064) 7.337 14.088 ( -5.743 -5.743 5.743) 9.947 14.211 ( 3.532 3.164 -5.004) 6.893 14.211 ( 4.268 4.636 -2.796) 6.893 14.366 ( -4.460 -5.000 2.298) 7.083 14.366 ( -3.379 -2.838 5.541) 7.083 14.443 ( 4.772 4.772 -4.772) 8.266 14.482 ( 0.406 -0.502 -4.037) 4.088 14.482 ( 2.221 3.129 1.409) 4.088 14.635 ( -5.592 -5.592 5.592) 9.686 15.060 ( 2.723 2.194 -4.837) 5.969 15.060 ( 3.780 4.309 -1.666) 5.969 15.142 ( -0.552 -1.030 -1.361) 1.793 15.142 ( 0.404 0.883 1.508) 1.793 15.164 ( 3.614 3.614 -3.614) 6.259 15.263 ( -1.792 -2.611 -1.484) 3.497 15.263 ( -0.154 0.665 3.430) 3.497 15.294 ( -2.104 -2.104 2.104) 3.644 15.407 ( 5.139 5.139 -5.139) 8.901 15.507 ( 0.182 0.182 -0.182) 0.315 15.556 ( -1.893 -2.543 -0.711) 3.249 15.556 ( -0.591 0.060 3.194) 3.249 15.746 ( 0.107 -0.777 -3.643) 3.727 15.746 ( 1.875 2.759 1.661) 3.727 15.792 ( -1.698 -2.523 -1.605) 3.439 15.792 ( -0.047 0.779 3.349) 3.439 15.895 ( 2.395 2.395 -2.395) 4.148 15.975 ( -2.988 -3.980 -0.983) 5.073 15.975 ( -1.002 -0.010 4.973) 5.073 16.015 ( -1.813 -1.813 1.813) 3.141 16.652 ( 1.845 1.845 -1.845) 3.196 16.682 ( -1.584 -3.320 -5.360) 6.501 16.682 ( 1.888 3.624 5.056) 6.501 16.768 ( 0.182 0.182 -0.182) 0.315 17.023 ( 0.050 0.050 -0.050) 0.086 17.135 ( 1.410 -0.577 -9.359) 9.482 17.135 ( 5.385 7.372 2.564) 9.482 17.150 ( -1.477 -1.477 1.477) 2.558 17.318 ( 1.848 1.126 -4.733) 5.204 17.318 ( 3.290 4.012 -0.405) 5.204 17.483 ( -4.557 -6.556 -3.440) 8.694 17.483 ( -0.559 1.441 8.555) 8.694 17.635 ( -5.340 -6.838 -0.649) 8.700 17.635 ( -2.346 -0.848 8.335) 8.700 17.701 ( -3.111 -3.111 3.111) 5.388 17.716 ( -4.165 -4.165 4.165) 7.215 ======================= Grid point 77 (14/24) ======================= q-point: (-0.29 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( 44.709 -4.870 -0.000) 44.973 2.432 ( 46.033 -18.295 -0.000) 49.535 3.256 ( -12.329 6.099 0.000) 13.755 3.406 ( -16.825 -4.220 0.000) 17.346 3.428 ( 12.267 -19.197 -0.000) 22.781 3.675 ( 34.311 -17.565 -0.000) 38.546 3.707 ( -18.524 -6.065 0.000) 19.492 3.865 ( -8.967 15.894 0.000) 18.249 4.072 ( -6.017 10.817 0.000) 12.378 4.226 ( -6.531 -7.729 0.000) 10.119 4.351 ( 4.015 4.677 -0.000) 6.164 4.516 ( 2.333 6.802 0.000) 7.191 4.523 ( -30.782 12.024 0.000) 33.047 4.545 ( -10.517 11.054 0.000) 15.258 4.742 ( -14.409 2.201 0.000) 14.576 4.759 ( -2.811 -23.891 -0.000) 24.056 4.869 ( 1.533 2.152 -0.000) 2.642 4.932 ( 11.141 -5.097 -0.000) 12.251 4.991 ( -18.169 -4.864 0.000) 18.808 5.072 ( -15.184 -15.450 0.000) 21.663 5.248 ( 5.852 13.737 -0.000) 14.931 5.275 ( 2.635 4.879 -0.000) 5.545 5.373 ( -20.351 8.760 0.000) 22.156 5.449 ( 8.393 17.084 -0.000) 19.034 5.537 ( 11.832 -9.021 -0.000) 14.879 5.581 ( -0.874 -0.164 0.000) 0.889 5.887 ( 28.627 -12.464 -0.000) 31.223 5.980 ( 10.673 -7.990 -0.000) 13.332 6.094 ( 1.848 -17.251 -0.000) 17.349 6.450 ( 3.333 20.979 0.000) 21.242 6.778 ( -13.952 17.150 0.000) 22.108 6.796 ( -8.408 11.306 0.000) 14.090 7.085 ( -4.111 -0.376 0.000) 4.128 7.338 ( 5.125 12.957 -0.000) 13.934 7.522 ( -1.758 -6.148 -0.000) 6.395 7.597 ( 8.872 -2.878 -0.000) 9.327 7.680 ( -11.500 -12.487 0.000) 16.976 8.119 ( -2.523 25.673 0.000) 25.797 8.372 ( -4.055 -14.117 -0.000) 14.688 8.692 ( -8.263 4.115 0.000) 9.231 8.895 ( -10.476 -15.486 0.000) 18.697 8.980 ( 14.385 -3.379 -0.000) 14.777 9.486 ( 3.777 2.116 -0.000) 4.330 9.488 ( 10.893 -0.182 -0.000) 10.895 9.664 ( 19.089 9.531 -0.000) 21.336 10.269 ( -25.311 6.295 0.000) 26.082 10.342 ( -17.873 9.449 0.000) 20.218 10.635 ( -15.943 17.381 0.000) 23.586 10.997 ( 2.879 -2.485 -0.000) 3.803 11.280 ( -3.025 -6.683 0.000) 7.335 11.318 ( 6.875 -4.332 -0.000) 8.126 11.438 ( 5.486 -0.986 -0.000) 5.574 11.480 ( 9.553 -2.782 -0.000) 9.950 11.564 ( 0.016 -5.948 -0.000) 5.948 11.732 ( 1.613 -8.450 -0.000) 8.603 11.859 ( -5.315 1.890 0.000) 5.641 12.020 ( 4.926 -2.357 -0.000) 5.461 12.063 ( -1.097 6.190 0.000) 6.286 12.113 ( -4.876 4.362 0.000) 6.542 12.124 ( 11.455 1.410 -0.000) 11.541 12.273 ( -4.182 1.850 0.000) 4.573 12.328 ( 2.702 -0.617 -0.000) 2.772 12.349 ( -0.032 3.050 0.000) 3.050 12.412 ( -7.268 -0.216 0.000) 7.271 12.424 ( 3.240 -1.490 -0.000) 3.566 12.552 ( 6.361 -9.524 -0.000) 11.453 12.664 ( -1.018 4.547 0.000) 4.659 12.750 ( 3.795 -0.036 -0.000) 3.795 12.800 ( 2.727 0.232 -0.000) 2.737 12.853 ( -3.795 3.164 0.000) 4.941 13.076 ( 1.767 -6.109 -0.000) 6.360 13.358 ( 8.909 -7.348 -0.000) 11.548 13.459 ( 7.338 -3.360 -0.000) 8.071 13.598 ( 4.290 2.431 -0.000) 4.932 13.708 ( 7.480 -8.596 -0.000) 11.395 13.796 ( 0.151 -6.363 -0.000) 6.365 14.181 ( 1.517 0.112 -0.000) 1.521 14.274 ( -1.124 4.886 0.000) 5.014 14.362 ( 7.360 0.640 -0.000) 7.388 14.373 ( 8.252 1.203 -0.000) 8.339 14.382 ( 1.258 1.649 -0.000) 2.074 14.439 ( 5.357 -1.312 -0.000) 5.515 14.541 ( 2.747 -7.628 -0.000) 8.108 14.695 ( 0.646 2.471 0.000) 2.555 14.761 ( 0.403 -4.974 -0.000) 4.990 14.776 ( 4.407 -1.188 -0.000) 4.564 14.946 ( -2.996 -6.256 0.000) 6.936 14.962 ( -0.609 -3.881 -0.000) 3.928 15.155 ( 7.517 0.469 -0.000) 7.531 15.264 ( 2.224 1.141 -0.000) 2.500 15.286 ( 0.958 0.853 -0.000) 1.283 15.298 ( 5.904 -0.337 -0.000) 5.913 15.318 ( -3.130 1.001 0.000) 3.286 15.455 ( -6.459 -2.964 0.000) 7.107 15.478 ( 3.144 -0.489 -0.000) 3.182 15.535 ( 0.704 -2.762 -0.000) 2.850 15.631 ( 4.138 1.286 -0.000) 4.333 15.671 ( 4.938 2.343 -0.000) 5.466 15.781 ( -3.103 -0.211 0.000) 3.110 15.805 ( 0.655 -1.821 -0.000) 1.935 15.877 ( 2.790 0.445 -0.000) 2.825 15.976 ( -0.042 -5.933 -0.000) 5.933 16.073 ( 6.554 0.020 -0.000) 6.554 16.086 ( 5.748 -5.129 -0.000) 7.704 16.530 ( -7.082 -0.875 0.000) 7.136 16.548 ( -13.116 -0.450 0.000) 13.124 16.597 ( -11.283 -3.018 0.000) 11.680 16.701 ( -8.702 -4.295 0.000) 9.704 16.728 ( 3.335 1.396 -0.000) 3.615 17.048 ( 0.546 0.451 -0.000) 0.708 17.204 ( 10.677 3.075 -0.000) 11.111 17.256 ( 8.006 2.499 -0.000) 8.387 17.349 ( 15.903 5.918 -0.000) 16.969 17.371 ( 7.837 4.087 -0.000) 8.839 17.394 ( 17.747 -2.710 -0.000) 17.953 17.474 ( 4.285 5.063 -0.000) 6.633 17.531 ( 12.452 -6.651 -0.000) 14.117 17.953 ( -34.182 4.682 0.000) 34.501 18.338 ( -22.903 5.971 0.000) 23.668 18.679 ( -9.064 11.872 0.000) 14.937 ======================= Grid point 78 (15/24) ======================= q-point: (-0.14 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.295 ( 46.251 -0.000 0.988) 46.261 2.371 ( 43.785 -0.000 20.657) 48.413 3.294 ( -10.249 0.000 4.755) 11.298 3.433 ( -13.230 0.000 2.205) 13.412 3.486 ( -7.865 0.000 12.281) 14.583 3.601 ( 47.784 -0.000 22.247) 52.709 3.680 ( -20.748 0.000 2.408) 20.887 3.932 ( -4.417 -0.000 -4.516) 6.317 4.024 ( -0.659 -0.000 -21.809) 21.819 4.266 ( -9.635 0.000 1.050) 9.692 4.319 ( -15.043 0.000 -3.412) 15.425 4.396 ( -17.896 0.000 -4.490) 18.451 4.403 ( 5.270 -0.000 -14.543) 15.469 4.620 ( -13.149 0.000 -10.810) 17.022 4.788 ( -9.192 0.000 3.230) 9.743 4.819 ( 7.060 -0.000 6.593) 9.660 4.824 ( 0.029 0.000 12.093) 12.093 4.926 ( 1.381 0.000 2.918) 3.228 5.069 ( -6.673 0.000 15.702) 17.061 5.096 ( -26.331 0.000 6.479) 27.116 5.162 ( -10.158 -0.000 -12.882) 16.405 5.369 ( 3.891 -0.000 0.519) 3.925 5.399 ( -7.998 -0.000 -8.143) 11.414 5.447 ( 20.565 -0.000 5.473) 21.281 5.585 ( 6.422 -0.000 -8.576) 10.714 5.621 ( 3.975 -0.000 -4.924) 6.329 5.778 ( -11.804 0.000 1.244) 11.869 5.960 ( 27.706 -0.000 8.338) 28.933 6.008 ( 17.072 -0.000 12.142) 20.950 6.547 ( 1.216 -0.000 -9.756) 9.831 6.686 ( -15.876 0.000 -13.874) 21.084 6.943 ( -9.571 0.000 -2.736) 9.955 7.134 ( 8.587 -0.000 -16.486) 18.588 7.210 ( -0.575 -0.000 -5.789) 5.818 7.425 ( -7.644 0.000 -0.114) 7.645 7.505 ( -0.469 0.000 3.648) 3.678 7.886 ( -1.960 0.000 9.837) 10.031 8.155 ( -4.188 -0.000 -6.950) 8.114 8.350 ( 4.168 -0.000 1.592) 4.462 8.677 ( -13.024 0.000 -4.449) 13.763 8.857 ( -6.509 0.000 13.986) 15.427 9.021 ( 10.995 -0.000 7.261) 13.176 9.432 ( 8.210 -0.000 -6.487) 10.464 9.470 ( 5.553 -0.000 -4.250) 6.993 9.703 ( 19.190 -0.000 -4.483) 19.707 10.249 ( -25.857 0.000 -8.726) 27.289 10.363 ( -17.749 0.000 -6.999) 19.079 10.646 ( -15.044 -0.000 -15.816) 21.828 11.048 ( 2.757 0.000 7.209) 7.718 11.291 ( 4.517 -0.000 4.304) 6.239 11.295 ( 3.450 0.000 4.503) 5.673 11.439 ( 3.214 -0.000 1.648) 3.612 11.440 ( 4.810 -0.000 -0.343) 4.823 11.532 ( 0.734 0.000 3.088) 3.174 11.723 ( 2.067 0.000 6.027) 6.371 11.869 ( -7.583 0.000 -1.746) 7.781 11.990 ( 5.646 -0.000 -0.502) 5.668 12.106 ( 0.385 -0.000 -0.552) 0.673 12.126 ( 10.371 -0.000 0.322) 10.376 12.178 ( -6.113 0.000 -1.727) 6.352 12.287 ( 3.675 -0.000 -4.083) 5.493 12.295 ( 2.469 0.000 5.584) 6.105 12.340 ( -3.597 -0.000 -3.865) 5.280 12.420 ( 2.480 -0.000 -0.441) 2.519 12.441 ( -0.591 -0.000 -1.217) 1.353 12.494 ( -1.758 0.000 7.169) 7.381 12.661 ( -2.553 -0.000 -5.362) 5.939 12.695 ( 4.937 -0.000 -4.029) 6.372 12.818 ( 2.296 0.000 2.831) 3.645 12.936 ( 0.754 -0.000 -0.197) 0.779 13.082 ( -2.097 0.000 10.937) 11.137 13.306 ( 10.125 -0.000 0.716) 10.150 13.450 ( 7.565 -0.000 2.001) 7.825 13.523 ( 5.859 -0.000 -2.324) 6.303 13.784 ( 5.662 0.000 5.987) 8.241 13.843 ( 1.484 0.000 15.640) 15.710 14.106 ( 0.086 -0.000 -4.812) 4.813 14.301 ( 5.120 -0.000 -4.640) 6.909 14.365 ( 5.158 -0.000 -3.787) 6.399 14.372 ( -0.176 0.000 1.848) 1.857 14.429 ( 8.635 -0.000 -0.260) 8.639 14.452 ( 5.547 -0.000 1.767) 5.821 14.548 ( 3.625 0.000 8.000) 8.783 14.667 ( -2.207 0.000 0.301) 2.228 14.749 ( -0.085 0.000 1.806) 1.807 14.811 ( 5.267 0.000 8.071) 9.638 14.908 ( -0.621 -0.000 -2.900) 2.966 14.932 ( -3.249 0.000 2.520) 4.111 15.162 ( 7.329 -0.000 0.134) 7.330 15.243 ( 1.081 -0.000 -1.666) 1.986 15.257 ( -0.334 -0.000 -4.287) 4.300 15.311 ( 2.802 -0.000 2.385) 3.679 15.365 ( -2.813 0.000 3.980) 4.874 15.460 ( 2.558 -0.000 -0.277) 2.573 15.528 ( -1.462 0.000 8.815) 8.935 15.561 ( 1.710 0.000 4.358) 4.682 15.574 ( 6.385 -0.000 -4.978) 8.096 15.718 ( 2.788 -0.000 0.758) 2.889 15.779 ( -4.406 0.000 -0.296) 4.416 15.843 ( 3.259 -0.000 -1.886) 3.765 15.851 ( 2.380 -0.000 2.357) 3.349 15.910 ( 1.407 -0.000 1.331) 1.937 16.037 ( 4.022 -0.000 1.970) 4.478 16.085 ( 4.420 -0.000 -0.160) 4.423 16.488 ( -9.464 0.000 -1.760) 9.626 16.593 ( -8.395 0.000 -4.096) 9.341 16.633 ( -11.262 0.000 9.718) 14.876 16.705 ( -9.231 0.000 9.713) 13.400 16.720 ( 0.939 -0.000 -2.614) 2.777 17.043 ( 1.473 -0.000 -1.899) 2.403 17.212 ( 8.763 -0.000 -3.833) 9.565 17.268 ( 10.455 -0.000 0.585) 10.471 17.293 ( 16.982 -0.000 -5.525) 17.858 17.415 ( 13.212 -0.000 -4.349) 13.910 17.431 ( 13.889 -0.000 1.377) 13.957 17.464 ( 3.395 -0.000 -6.887) 7.678 17.500 ( 11.336 -0.000 7.799) 13.759 17.948 ( -34.541 0.000 -5.297) 34.945 18.341 ( -22.874 0.000 -5.583) 23.546 18.678 ( -9.003 -0.000 -11.913) 14.933 ======================= Grid point 85 (16/24) ======================= q-point: (-0.43 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.878 ( 29.764 -8.569 -0.000) 30.973 3.054 ( -6.470 -3.392 0.000) 7.305 3.104 ( -19.307 7.466 0.000) 20.700 3.250 ( 17.622 -16.858 -0.000) 24.387 3.516 ( -13.219 -5.560 0.000) 14.340 3.542 ( -21.345 -18.746 0.000) 28.408 3.607 ( -12.876 -16.300 0.000) 20.772 3.850 ( -7.780 2.818 0.000) 8.275 3.904 ( -23.961 -11.056 0.000) 26.389 4.070 ( -9.448 9.810 0.000) 13.620 4.130 ( -11.806 12.833 0.000) 17.437 4.255 ( -2.967 12.056 0.000) 12.416 4.356 ( 3.183 2.859 -0.000) 4.278 4.464 ( -24.588 -3.808 0.000) 24.881 4.735 ( 9.039 7.365 -0.000) 11.660 4.771 ( -36.801 -32.706 0.000) 49.234 4.803 ( 1.470 5.899 0.000) 6.080 4.937 ( -13.201 5.714 0.000) 14.384 5.030 ( 41.881 -18.707 -0.000) 45.869 5.186 ( -0.722 -1.545 0.000) 1.705 5.203 ( 7.917 -6.091 -0.000) 9.989 5.269 ( 4.978 -9.824 -0.000) 11.014 5.297 ( -2.700 -7.115 0.000) 7.610 5.622 ( 10.434 6.216 -0.000) 12.145 5.714 ( 21.936 5.654 -0.000) 22.653 5.835 ( 17.895 7.915 -0.000) 19.567 6.073 ( 11.692 4.161 -0.000) 12.410 6.083 ( -11.372 30.269 0.000) 32.335 6.178 ( 6.557 19.333 0.000) 20.415 6.460 ( -2.770 6.969 0.000) 7.499 6.600 ( 26.255 0.837 -0.000) 26.268 6.775 ( 20.422 -12.645 -0.000) 24.020 6.973 ( 4.401 15.815 0.000) 16.416 7.257 ( 4.354 0.357 -0.000) 4.369 7.541 ( -10.987 13.774 0.000) 17.619 7.724 ( -5.843 1.139 0.000) 5.953 7.739 ( 1.769 -5.123 -0.000) 5.420 7.742 ( 3.486 -1.623 -0.000) 3.846 8.502 ( -0.677 -8.661 -0.000) 8.688 8.510 ( -6.546 4.320 0.000) 7.842 9.005 ( -2.508 -16.832 -0.000) 17.017 9.142 ( -4.605 -3.263 0.000) 5.644 9.393 ( -7.223 0.599 0.000) 7.248 9.533 ( -8.718 3.236 0.000) 9.299 9.726 ( 8.616 5.305 -0.000) 10.118 9.983 ( 2.948 3.434 -0.000) 4.526 10.043 ( -1.356 9.419 0.000) 9.516 10.160 ( -9.169 19.325 0.000) 21.390 11.146 ( 5.178 -7.849 -0.000) 9.403 11.303 ( -11.218 -12.006 0.000) 16.431 11.448 ( -3.395 2.066 0.000) 3.974 11.457 ( 4.538 -3.191 -0.000) 5.548 11.611 ( 9.111 7.633 -0.000) 11.886 11.631 ( -1.791 -4.353 0.000) 4.707 11.763 ( -6.491 -0.738 0.000) 6.533 11.915 ( 1.240 -12.872 -0.000) 12.932 11.969 ( 1.064 7.009 0.000) 7.089 12.008 ( -3.087 1.450 0.000) 3.410 12.131 ( 7.728 -0.186 -0.000) 7.730 12.179 ( -2.721 2.761 0.000) 3.876 12.227 ( 6.532 2.064 -0.000) 6.850 12.308 ( 3.161 3.324 -0.000) 4.587 12.328 ( -4.617 -0.649 0.000) 4.662 12.388 ( 4.883 2.133 -0.000) 5.329 12.482 ( 2.576 -0.608 -0.000) 2.647 12.556 ( -1.727 6.491 0.000) 6.717 12.691 ( -3.276 0.811 0.000) 3.375 12.796 ( -0.474 -1.742 -0.000) 1.805 12.842 ( 4.059 -5.692 -0.000) 6.991 12.851 ( 4.749 0.949 -0.000) 4.843 13.172 ( -2.071 -6.694 -0.000) 7.007 13.524 ( 1.502 -0.038 -0.000) 1.503 13.578 ( 3.948 -0.310 -0.000) 3.960 13.583 ( 4.072 2.892 -0.000) 4.995 13.886 ( -4.292 -7.879 0.000) 8.972 13.905 ( 2.858 -7.990 -0.000) 8.486 14.198 ( -3.348 0.935 0.000) 3.476 14.202 ( 1.449 -2.481 -0.000) 2.873 14.348 ( 1.845 5.382 0.000) 5.690 14.370 ( 2.414 2.315 -0.000) 3.344 14.462 ( 4.254 0.260 -0.000) 4.262 14.605 ( 8.623 -4.660 -0.000) 9.802 14.620 ( 1.493 2.419 -0.000) 2.843 14.719 ( 0.341 -3.626 -0.000) 3.642 14.754 ( -1.283 5.395 0.000) 5.546 14.767 ( 0.176 3.237 0.000) 3.242 15.039 ( 2.210 -6.130 -0.000) 6.516 15.044 ( -3.290 -7.223 0.000) 7.937 15.226 ( 4.071 -0.878 -0.000) 4.165 15.230 ( -6.097 2.238 0.000) 6.494 15.263 ( -3.049 -1.264 0.000) 3.301 15.291 ( 0.367 0.214 -0.000) 0.425 15.432 ( -1.806 -1.656 0.000) 2.451 15.485 ( 13.926 -2.634 -0.000) 14.173 15.534 ( 1.621 -2.221 -0.000) 2.750 15.568 ( -1.409 -2.055 0.000) 2.492 15.627 ( -0.641 1.566 0.000) 1.693 15.681 ( 1.858 1.222 -0.000) 2.224 15.731 ( -5.346 -1.006 0.000) 5.440 15.834 ( -1.431 2.866 0.000) 3.203 15.907 ( -0.151 -6.680 -0.000) 6.682 16.013 ( -2.658 -3.343 0.000) 4.271 16.065 ( 0.407 3.940 0.000) 3.961 16.127 ( -2.293 2.701 0.000) 3.543 16.399 ( -11.777 -4.927 0.000) 12.766 16.473 ( -6.898 -3.284 0.000) 7.640 16.662 ( -2.770 -2.114 0.000) 3.485 16.748 ( 1.622 -0.248 -0.000) 1.640 16.760 ( -0.647 -30.767 -0.000) 30.774 17.009 ( -3.597 3.994 0.000) 5.376 17.261 ( -13.151 9.598 0.000) 16.281 17.294 ( 11.067 6.415 -0.000) 12.792 17.350 ( 9.526 0.343 -0.000) 9.532 17.412 ( -8.492 7.574 0.000) 11.379 17.484 ( 17.663 9.754 -0.000) 20.178 17.551 ( 0.731 4.555 0.000) 4.613 17.700 ( 12.552 -5.210 -0.000) 13.590 17.864 ( 21.729 -8.410 -0.000) 23.300 17.953 ( -14.278 9.430 0.000) 17.111 18.306 ( -10.082 20.894 0.000) 23.199 ======================= Grid point 86 (17/24) ======================= q-point: (-0.29 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.814 ( 3.515 2.089 6.785) 7.922 2.954 ( 27.367 -12.062 -3.549) 30.117 3.110 ( 18.331 4.626 5.394) 19.660 3.206 ( -28.480 2.543 -2.347) 28.689 3.302 ( -19.180 -2.970 10.984) 22.301 3.394 ( -20.233 -16.472 1.131) 26.114 3.542 ( -29.693 1.659 6.420) 30.424 3.857 ( 0.884 13.591 -7.917) 15.754 3.981 ( -7.638 -2.044 -11.067) 13.601 4.061 ( -14.143 0.557 10.368) 17.545 4.122 ( -24.336 -16.644 -5.549) 30.001 4.313 ( -18.583 5.011 1.485) 19.303 4.404 ( -25.350 -15.003 12.749) 32.097 4.525 ( -12.048 16.659 -2.001) 20.656 4.633 ( -2.717 8.630 -16.211) 18.565 4.666 ( -7.121 6.114 8.626) 12.748 4.802 ( -1.288 -9.308 -14.453) 17.240 4.880 ( 22.599 -4.626 6.787) 24.045 4.985 ( 15.684 7.658 -0.726) 17.469 5.055 ( 0.012 -2.213 6.874) 7.221 5.136 ( -1.843 -5.573 1.964) 6.190 5.280 ( 2.756 -6.797 10.253) 12.606 5.413 ( -1.848 -5.545 15.209) 16.293 5.635 ( 20.808 8.902 -10.992) 25.161 5.774 ( 19.487 4.045 -6.212) 20.849 5.860 ( 19.390 -3.398 -1.876) 19.775 6.094 ( 23.578 -8.326 -6.399) 25.811 6.289 ( 7.530 9.512 -10.205) 15.853 6.428 ( 27.873 -3.302 8.880) 29.439 6.544 ( 1.193 7.901 7.560) 11.000 6.645 ( -6.908 2.159 -1.435) 7.378 6.758 ( 16.124 -7.351 5.809) 18.649 7.014 ( -1.771 10.619 -6.912) 12.794 7.373 ( -3.112 -4.274 -5.175) 7.399 7.439 ( 4.584 -2.482 -13.459) 14.433 7.546 ( 8.608 -4.705 3.115) 10.292 7.796 ( -0.532 9.115 6.697) 11.323 8.043 ( -4.179 9.456 -2.247) 10.580 8.324 ( -3.046 -1.586 2.023) 3.985 8.643 ( -6.640 -7.523 -10.348) 14.414 8.710 ( -3.970 1.195 11.168) 11.913 9.138 ( -1.739 -2.315 6.113) 6.764 9.390 ( -10.346 3.530 -5.750) 12.352 9.468 ( -8.110 -0.895 -7.277) 10.933 9.818 ( 5.196 11.618 -4.827) 13.612 9.966 ( -0.082 2.933 -7.270) 7.840 10.120 ( -5.446 7.918 -6.520) 11.613 10.318 ( -11.860 15.088 -12.869) 23.106 11.132 ( 4.846 -3.994 8.552) 10.610 11.228 ( -10.596 -6.671 9.029) 15.437 11.403 ( 0.590 -8.044 2.598) 8.474 11.495 ( 1.674 0.505 1.546) 2.335 11.538 ( -2.730 -3.016 -0.228) 4.074 11.645 ( 13.021 -3.401 -2.861) 13.758 11.757 ( -7.461 0.334 -0.276) 7.474 11.810 ( 3.942 -4.365 5.106) 7.788 12.012 ( -0.159 4.665 -5.511) 7.222 12.054 ( -2.427 1.689 2.808) 4.078 12.155 ( 4.864 -1.412 2.721) 5.749 12.227 ( 0.839 3.216 -1.150) 3.517 12.248 ( -1.414 -0.034 -2.652) 3.006 12.296 ( 1.071 4.655 -0.827) 4.848 12.365 ( 4.284 4.200 -1.370) 6.154 12.414 ( 3.184 -0.770 0.652) 3.340 12.501 ( 2.098 -0.646 3.875) 4.454 12.573 ( 3.080 -4.327 -4.511) 6.968 12.649 ( -0.268 -2.770 -3.431) 4.418 12.750 ( 2.555 -0.701 -2.319) 3.521 12.823 ( 1.918 1.961 3.908) 4.775 12.931 ( 0.670 1.387 6.197) 6.386 13.078 ( -1.905 -3.636 0.295) 4.116 13.454 ( 6.456 -1.782 -1.693) 6.908 13.582 ( 7.660 -1.637 2.387) 8.189 13.649 ( 3.153 -5.788 0.502) 6.610 13.811 ( -0.163 -0.518 3.311) 3.355 13.908 ( 2.747 -2.867 11.476) 12.143 14.090 ( -3.154 -2.919 -5.492) 6.973 14.277 ( -4.139 2.879 1.875) 5.379 14.377 ( 4.863 3.012 -4.143) 7.063 14.433 ( 4.195 2.069 -2.571) 5.337 14.475 ( 5.601 4.478 1.460) 7.318 14.538 ( 3.347 -0.321 -0.475) 3.396 14.626 ( 4.472 0.121 -3.970) 5.981 14.675 ( 0.992 -5.334 6.209) 8.246 14.818 ( -0.504 3.618 2.200) 4.264 14.873 ( 2.668 -11.078 3.333) 11.873 14.901 ( -2.568 -1.241 3.018) 4.153 14.964 ( 2.355 -5.057 1.937) 5.905 15.190 ( -1.632 1.367 -3.430) 4.037 15.244 ( -3.668 0.776 0.803) 3.834 15.271 ( 2.356 -1.152 -1.265) 2.912 15.310 ( -0.756 1.746 1.008) 2.154 15.384 ( 3.809 -2.805 0.298) 4.739 15.493 ( 2.006 -0.588 1.299) 2.462 15.530 ( 1.843 1.736 3.786) 4.554 15.583 ( 1.000 -1.496 5.125) 5.432 15.648 ( 1.108 0.951 -1.150) 1.859 15.701 ( -2.647 -1.571 -1.713) 3.522 15.753 ( 1.156 2.662 0.897) 3.038 15.806 ( -1.009 -0.436 1.587) 1.930 15.865 ( -1.304 1.370 -2.464) 3.106 15.964 ( -1.819 -4.671 1.606) 5.263 16.089 ( -1.068 -0.219 -4.528) 4.658 16.142 ( 1.700 0.345 0.280) 1.757 16.391 ( -8.173 -10.999 4.046) 14.288 16.456 ( -8.988 -3.883 6.174) 11.575 16.507 ( -8.127 -3.887 9.677) 13.221 16.611 ( -10.364 -6.101 8.331) 14.630 16.727 ( -3.531 -1.412 -1.546) 4.105 17.068 ( 3.047 3.836 -2.076) 5.320 17.306 ( -6.193 5.942 -7.128) 11.157 17.341 ( 2.701 3.254 -6.005) 7.345 17.409 ( 1.531 7.103 -2.194) 7.590 17.468 ( -0.488 6.126 -5.340) 8.142 17.538 ( 7.378 1.164 -2.518) 7.882 17.647 ( 15.001 -0.134 -0.554) 15.012 17.685 ( 17.367 3.330 7.402) 19.170 17.712 ( 18.014 -6.539 -5.034) 19.814 18.027 ( -14.062 5.221 -4.803) 15.750 18.462 ( -10.223 11.069 -10.953) 18.628 ======================= Grid point 87 (18/24) ======================= q-point: (-0.14 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.815 ( 21.934 -0.000 0.054) 21.934 3.204 ( -7.211 0.000 8.439) 11.100 3.205 ( -6.410 0.000 12.578) 14.117 3.248 ( 2.939 0.000 14.709) 14.999 3.351 ( -4.787 -0.000 -8.537) 9.788 3.533 ( -16.413 0.000 21.707) 27.214 3.699 ( -32.502 0.000 9.790) 33.945 3.704 ( -1.597 -0.000 -6.883) 7.066 3.921 ( 4.803 -0.000 -4.255) 6.417 3.932 ( -26.113 0.000 14.722) 29.978 4.247 ( 4.137 -0.000 -3.845) 5.647 4.326 ( -18.043 0.000 -11.398) 21.341 4.378 ( -2.700 -0.000 -17.810) 18.013 4.391 ( -14.353 0.000 3.659) 14.812 4.718 ( 5.747 -0.000 2.968) 6.468 4.742 ( -10.253 0.000 14.151) 17.475 4.850 ( -8.955 0.000 1.108) 9.023 4.855 ( -14.079 0.000 4.602) 14.812 5.113 ( 1.797 0.000 3.579) 4.004 5.124 ( 16.051 0.000 20.593) 26.109 5.305 ( 18.541 -0.000 14.325) 23.430 5.384 ( -6.223 0.000 -1.931) 6.516 5.398 ( -7.499 0.000 9.567) 12.155 5.559 ( 11.475 -0.000 -19.694) 22.794 5.641 ( 9.973 -0.000 -4.317) 10.867 5.764 ( 24.732 -0.000 -12.167) 27.563 5.825 ( 17.494 -0.000 -2.521) 17.675 6.198 ( -2.030 -0.000 -22.550) 22.641 6.253 ( 4.929 -0.000 -18.159) 18.816 6.400 ( 13.333 -0.000 -8.976) 16.073 6.831 ( 4.634 -0.000 -2.067) 5.074 6.877 ( 32.338 -0.000 19.764) 37.899 6.933 ( 8.177 -0.000 -23.433) 24.819 7.038 ( -9.984 0.000 -0.537) 9.999 7.381 ( 3.585 -0.000 -8.163) 8.915 7.633 ( -3.076 0.000 13.969) 14.304 7.875 ( -0.143 -0.000 -6.829) 6.830 7.941 ( -10.501 -0.000 -10.695) 14.988 8.437 ( -2.334 0.000 5.216) 5.715 8.537 ( -3.192 0.000 3.773) 4.942 8.975 ( -4.850 0.000 15.276) 16.027 9.230 ( 4.749 -0.000 2.062) 5.178 9.328 ( -10.876 0.000 2.201) 11.096 9.422 ( -4.476 0.000 -1.287) 4.657 9.853 ( -8.069 -0.000 -9.144) 12.195 9.882 ( 15.862 -0.000 -2.840) 16.115 10.069 ( -4.368 -0.000 -9.275) 10.252 10.203 ( -8.873 -0.000 -18.261) 20.303 11.247 ( 1.601 0.000 11.629) 11.739 11.310 ( -5.704 0.000 -2.215) 6.119 11.353 ( -7.703 0.000 10.209) 12.790 11.489 ( 2.365 -0.000 0.965) 2.554 11.536 ( 13.200 -0.000 -4.547) 13.961 11.608 ( -0.676 0.000 5.974) 6.012 11.757 ( -4.819 0.000 -0.760) 4.879 11.852 ( 3.567 0.000 5.808) 6.816 12.014 ( 3.208 -0.000 -4.947) 5.896 12.078 ( -8.235 0.000 0.660) 8.262 12.121 ( 1.881 -0.000 0.977) 2.119 12.222 ( -2.024 -0.000 -4.011) 4.493 12.257 ( 4.311 -0.000 3.484) 5.543 12.280 ( 0.555 -0.000 -5.603) 5.630 12.368 ( 1.753 -0.000 -7.296) 7.503 12.389 ( 5.611 -0.000 -3.707) 6.725 12.467 ( 2.414 0.000 2.794) 3.692 12.537 ( -0.503 -0.000 -5.098) 5.123 12.595 ( 0.371 0.000 6.086) 6.097 12.750 ( 2.660 0.000 3.603) 4.479 12.905 ( 0.701 0.000 2.443) 2.542 12.910 ( 1.734 -0.000 -5.643) 5.904 13.181 ( -5.985 0.000 9.724) 11.418 13.442 ( 8.617 -0.000 -0.299) 8.623 13.566 ( 5.591 -0.000 -0.153) 5.593 13.591 ( 2.846 -0.000 0.948) 2.999 13.874 ( -1.684 0.000 5.724) 5.966 14.021 ( -5.792 0.000 -0.850) 5.854 14.093 ( -0.591 0.000 13.775) 13.788 14.274 ( -0.300 -0.000 -4.136) 4.147 14.341 ( 4.471 -0.000 -7.150) 8.433 14.378 ( 0.858 -0.000 -1.197) 1.473 14.531 ( -0.583 -0.000 -5.579) 5.609 14.545 ( 6.734 -0.000 1.476) 6.894 14.591 ( 8.436 -0.000 2.846) 8.903 14.710 ( 2.451 -0.000 0.971) 2.636 14.758 ( -4.330 0.000 -1.433) 4.561 14.824 ( -3.147 -0.000 -3.801) 4.935 14.978 ( 2.566 0.000 7.796) 8.208 15.047 ( 4.453 0.000 11.152) 12.008 15.154 ( -4.177 0.000 -2.912) 5.092 15.254 ( -1.056 0.000 2.121) 2.369 15.257 ( 4.617 -0.000 -1.387) 4.821 15.328 ( -6.509 0.000 0.336) 6.518 15.394 ( 3.675 -0.000 1.818) 4.100 15.537 ( 3.308 0.000 5.061) 6.046 15.573 ( 0.723 -0.000 -2.287) 2.399 15.617 ( -2.028 0.000 0.248) 2.043 15.647 ( 3.014 -0.000 0.623) 3.078 15.680 ( 1.264 -0.000 -6.568) 6.689 15.691 ( -5.158 0.000 2.501) 5.732 15.822 ( -2.372 0.000 -1.404) 2.756 15.953 ( 3.579 0.000 5.974) 6.964 15.954 ( -3.307 0.000 4.173) 5.324 16.051 ( -3.028 0.000 -2.047) 3.655 16.103 ( 1.717 -0.000 0.546) 1.802 16.415 ( -11.906 0.000 2.144) 12.097 16.421 ( -3.455 0.000 5.177) 6.224 16.681 ( 0.760 -0.000 -3.691) 3.769 16.731 ( -3.792 0.000 13.447) 13.971 16.787 ( -5.380 0.000 19.995) 20.706 17.036 ( 4.411 -0.000 -2.297) 4.973 17.258 ( -23.337 0.000 -6.472) 24.217 17.271 ( 10.527 -0.000 -3.898) 11.226 17.363 ( 3.793 -0.000 -10.399) 11.069 17.473 ( -6.487 0.000 -3.483) 7.363 17.477 ( 14.138 -0.000 -4.190) 14.746 17.521 ( 12.747 -0.000 -11.540) 17.195 17.679 ( 12.790 -0.000 4.323) 13.500 17.849 ( 21.636 -0.000 9.762) 23.737 17.965 ( -14.177 0.000 -8.533) 16.547 18.309 ( -9.668 -0.000 -20.819) 22.954 ======================= Grid point 92 (19/24) ======================= q-point: (-0.43 0.57 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.761 ( -9.361 -12.395 -3.207) 15.860 2.815 ( -15.763 -14.261 -11.373) 24.108 3.127 ( -11.866 -14.304 12.800) 22.567 3.170 ( -17.803 -10.160 4.923) 21.081 3.382 ( -8.049 -13.158 7.142) 16.998 3.458 ( 10.025 -4.254 1.285) 10.966 3.532 ( -1.001 16.599 -0.587) 16.640 3.745 ( 3.125 -9.235 -5.112) 11.009 3.867 ( -15.062 -4.304 15.272) 21.877 3.928 ( -3.606 6.754 -4.501) 8.881 3.981 ( 8.378 5.892 -4.676) 11.259 4.091 ( -20.777 -21.901 6.159) 30.810 4.256 ( -0.529 -8.660 -3.482) 9.349 4.294 ( -27.896 -29.403 8.700) 41.454 4.458 ( 0.258 2.866 -12.557) 12.882 4.594 ( 2.358 -0.926 3.933) 4.678 4.806 ( -9.120 -1.823 -10.911) 14.337 4.961 ( 19.493 15.263 -7.841) 25.969 5.085 ( -0.526 0.141 1.566) 1.658 5.146 ( -3.029 -1.712 3.217) 4.739 5.252 ( -5.323 -5.918 0.641) 7.986 5.504 ( -7.647 -9.806 18.351) 22.167 5.660 ( 20.001 2.973 4.230) 20.659 5.721 ( 6.710 13.757 -5.611) 16.302 5.957 ( -0.820 22.179 8.033) 23.603 6.014 ( 13.573 20.746 -2.264) 24.895 6.078 ( 17.743 5.947 -4.367) 19.216 6.250 ( 13.532 14.270 -9.980) 22.054 6.376 ( 15.947 6.129 3.096) 17.362 6.553 ( -1.942 -3.636 7.360) 8.436 6.800 ( 0.734 6.699 -6.079) 9.076 6.986 ( 3.533 -0.863 -0.990) 3.770 7.088 ( 15.325 3.766 4.598) 16.438 7.322 ( 1.420 6.666 -0.324) 6.824 7.395 ( -7.919 13.894 -6.472) 17.252 7.614 ( 6.147 1.607 -4.267) 7.653 7.812 ( 10.854 -1.574 10.684) 15.311 7.968 ( 3.429 3.274 6.026) 7.667 8.294 ( -6.315 -4.790 -14.561) 16.578 8.556 ( 1.208 2.558 8.047) 8.530 8.900 ( -17.141 0.867 -5.441) 18.005 8.965 ( 2.713 -20.742 -8.185) 22.463 9.278 ( -11.248 -1.990 1.355) 11.503 9.313 ( -7.534 -8.700 0.082) 11.509 9.776 ( 7.920 5.839 -8.476) 12.987 10.009 ( 4.590 9.465 -6.853) 12.555 10.043 ( 6.859 6.990 -8.816) 13.177 10.057 ( 9.487 4.259 -9.052) 13.787 11.184 ( -11.930 -12.340 7.973) 18.925 11.293 ( 3.064 -3.666 7.648) 9.018 11.395 ( -7.079 1.956 3.970) 8.349 11.504 ( -1.426 -4.915 -0.182) 5.121 11.563 ( -3.259 -1.479 2.754) 4.516 11.672 ( -4.117 -4.150 -1.751) 6.102 11.760 ( 5.677 9.581 3.538) 11.685 11.903 ( 3.405 -3.690 -4.922) 7.031 11.956 ( -4.836 3.281 4.278) 7.242 12.041 ( 2.440 -3.023 0.248) 3.893 12.150 ( -3.041 -2.279 -0.666) 3.858 12.230 ( 4.759 5.928 0.569) 7.623 12.253 ( 3.389 3.432 -3.435) 5.921 12.284 ( 2.151 -1.106 -1.978) 3.125 12.352 ( 3.721 3.641 -5.620) 7.661 12.462 ( 2.391 1.990 1.007) 3.270 12.553 ( 3.575 1.118 2.329) 4.411 12.567 ( 1.530 3.091 1.353) 3.705 12.634 ( -3.508 1.587 0.258) 3.859 12.782 ( -0.077 1.892 1.561) 2.454 12.854 ( 0.947 -2.067 -2.791) 3.600 12.961 ( 2.531 -0.705 4.713) 5.396 13.079 ( -6.327 -4.285 -2.706) 8.107 13.500 ( 2.681 3.836 -2.944) 5.529 13.663 ( 2.652 1.136 4.192) 5.089 13.699 ( -0.203 2.945 6.308) 6.964 13.821 ( -3.886 -5.076 -0.995) 6.469 13.983 ( 2.204 -3.136 5.308) 6.547 14.081 ( -6.769 -0.339 -1.983) 7.062 14.217 ( -1.274 -3.874 -0.499) 4.108 14.391 ( 4.982 5.638 -2.779) 8.020 14.428 ( 4.441 3.335 1.413) 5.731 14.529 ( 2.642 -0.060 -2.425) 3.586 14.552 ( 3.171 2.774 -4.255) 5.988 14.624 ( -1.511 3.586 -4.803) 6.181 14.773 ( 0.374 0.599 1.938) 2.062 14.790 ( 1.850 -3.553 6.725) 7.828 14.853 ( -1.872 1.324 7.403) 7.749 15.005 ( -2.802 -3.447 2.600) 5.147 15.067 ( -6.024 -2.028 -0.654) 6.389 15.094 ( -1.504 -2.616 0.380) 3.042 15.217 ( -1.513 -2.457 -1.182) 3.118 15.280 ( -0.471 0.507 2.219) 2.324 15.309 ( 1.269 0.204 0.154) 1.294 15.414 ( 0.400 1.087 -2.060) 2.364 15.539 ( 1.363 0.241 -2.694) 3.029 15.550 ( 0.048 -1.735 0.345) 1.769 15.580 ( -2.769 -0.032 0.533) 2.820 15.659 ( 1.753 -0.331 1.123) 2.108 15.705 ( 0.813 0.187 1.009) 1.309 15.729 ( 2.628 1.119 4.041) 4.948 15.804 ( -1.730 0.578 -0.355) 1.859 15.853 ( -2.978 -4.610 -4.119) 6.862 15.966 ( -3.384 -2.660 -0.821) 4.382 16.045 ( -2.076 2.461 3.076) 4.453 16.114 ( 1.923 -1.742 -2.750) 3.781 16.394 ( -5.645 -3.714 18.636) 19.823 16.448 ( -5.448 -3.541 10.053) 11.970 16.620 ( -3.052 -9.674 1.725) 10.290 16.651 ( -13.145 -7.109 1.223) 14.995 16.735 ( -12.106 -14.725 -3.020) 19.301 16.804 ( -15.721 -16.003 0.150) 22.434 17.118 ( 3.321 3.938 0.363) 5.164 17.383 ( 6.311 10.235 -6.384) 13.614 17.407 ( 8.046 4.383 -5.585) 10.731 17.445 ( 9.747 8.816 -6.189) 14.527 17.628 ( 9.753 10.027 -0.752) 14.008 17.762 ( 3.326 4.845 -6.105) 8.474 17.808 ( 13.615 11.488 6.183) 18.857 17.854 ( 2.876 2.861 -0.718) 4.119 18.099 ( -9.653 18.239 -8.359) 22.264 18.106 ( 17.875 -9.108 -8.798) 21.906 ======================= Grid point 137 (20/24) ======================= q-point: (-0.29 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.756 ( 22.468 -0.000 -0.000) 22.468 2.875 ( 15.261 -0.000 -0.000) 15.261 3.028 ( -21.810 0.000 0.000) 21.810 3.105 ( -0.877 0.000 0.000) 0.877 3.253 ( -0.461 0.000 0.000) 0.461 3.302 ( -26.175 0.000 0.000) 26.175 3.806 ( -45.213 0.000 0.000) 45.213 3.821 ( -25.122 0.000 0.000) 25.122 3.835 ( -39.798 0.000 0.000) 39.798 3.869 ( -45.056 0.000 0.000) 45.056 4.067 ( -4.613 0.000 0.000) 4.613 4.418 ( -1.766 0.000 0.000) 1.766 4.469 ( 0.532 -0.000 -0.000) 0.532 4.569 ( 1.545 -0.000 -0.000) 1.545 4.696 ( 40.012 -0.000 -0.000) 40.012 4.748 ( -2.597 0.000 0.000) 2.597 4.806 ( -8.498 0.000 0.000) 8.498 4.892 ( -4.191 0.000 0.000) 4.191 4.892 ( 1.411 -0.000 -0.000) 1.411 4.921 ( 2.610 -0.000 -0.000) 2.610 5.166 ( -21.317 0.000 0.000) 21.317 5.228 ( -1.336 0.000 0.000) 1.336 5.271 ( 0.159 -0.000 -0.000) 0.159 5.759 ( 21.079 -0.000 -0.000) 21.079 5.792 ( 24.758 -0.000 -0.000) 24.758 6.012 ( 30.970 -0.000 -0.000) 30.970 6.129 ( 27.587 -0.000 -0.000) 27.587 6.259 ( 40.212 -0.000 -0.000) 40.212 6.303 ( 23.509 -0.000 -0.000) 23.509 6.632 ( -0.057 0.000 0.000) 0.057 6.673 ( 4.386 -0.000 -0.000) 4.386 6.771 ( -5.834 0.000 0.000) 5.834 7.298 ( 7.612 -0.000 -0.000) 7.612 7.322 ( 1.469 -0.000 -0.000) 1.469 7.376 ( 0.064 -0.000 -0.000) 0.064 7.530 ( -1.151 0.000 0.000) 1.151 7.829 ( 7.537 -0.000 -0.000) 7.537 8.208 ( 0.433 -0.000 -0.000) 0.433 8.308 ( -6.151 0.000 0.000) 6.151 8.538 ( -11.643 0.000 0.000) 11.643 8.638 ( -7.593 0.000 0.000) 7.593 9.059 ( 0.407 -0.000 -0.000) 0.407 9.443 ( -13.581 0.000 0.000) 13.581 9.529 ( -9.888 0.000 0.000) 9.888 9.966 ( 12.835 -0.000 -0.000) 12.835 9.998 ( -13.045 0.000 0.000) 13.045 10.219 ( -7.971 0.000 0.000) 7.971 10.539 ( -16.496 0.000 0.000) 16.496 11.062 ( 6.805 -0.000 -0.000) 6.805 11.087 ( -13.499 0.000 0.000) 13.499 11.296 ( 0.907 -0.000 -0.000) 0.907 11.487 ( 0.776 -0.000 -0.000) 0.776 11.514 ( -0.638 0.000 0.000) 0.638 11.684 ( 18.346 -0.000 -0.000) 18.346 11.713 ( 4.058 -0.000 -0.000) 4.058 11.755 ( -9.483 0.000 0.000) 9.483 12.038 ( -3.675 0.000 0.000) 3.675 12.112 ( 9.546 -0.000 -0.000) 9.546 12.114 ( -6.252 0.000 0.000) 6.252 12.277 ( -5.408 0.000 0.000) 5.408 12.292 ( 4.795 -0.000 -0.000) 4.795 12.294 ( 6.016 -0.000 -0.000) 6.016 12.404 ( 4.367 -0.000 -0.000) 4.367 12.434 ( 5.062 -0.000 -0.000) 5.062 12.496 ( 7.419 -0.000 -0.000) 7.419 12.544 ( 8.066 -0.000 -0.000) 8.066 12.661 ( -2.782 0.000 0.000) 2.782 12.803 ( 0.020 -0.000 -0.000) 0.020 12.826 ( -3.720 0.000 0.000) 3.720 12.829 ( 3.772 -0.000 -0.000) 3.772 13.041 ( -0.395 0.000 0.000) 0.395 13.424 ( 7.513 -0.000 -0.000) 7.513 13.570 ( 10.540 -0.000 -0.000) 10.540 13.630 ( 2.262 -0.000 -0.000) 2.262 13.766 ( 8.625 -0.000 -0.000) 8.625 13.790 ( 0.338 -0.000 -0.000) 0.338 14.152 ( -3.441 0.000 0.000) 3.441 14.255 ( -5.125 0.000 0.000) 5.125 14.485 ( 3.877 -0.000 -0.000) 3.877 14.486 ( 4.749 -0.000 -0.000) 4.749 14.500 ( 8.269 -0.000 -0.000) 8.269 14.505 ( 5.838 -0.000 -0.000) 5.838 14.557 ( 9.054 -0.000 -0.000) 9.054 14.681 ( -1.501 0.000 0.000) 1.501 14.693 ( 0.519 -0.000 -0.000) 0.519 14.866 ( -1.944 0.000 0.000) 1.944 14.887 ( -5.075 0.000 0.000) 5.075 14.892 ( 7.594 -0.000 -0.000) 7.594 15.231 ( 2.217 -0.000 -0.000) 2.217 15.244 ( -9.514 0.000 0.000) 9.514 15.273 ( -1.001 0.000 0.000) 1.001 15.327 ( 4.957 -0.000 -0.000) 4.957 15.363 ( -3.386 0.000 0.000) 3.386 15.434 ( 12.302 -0.000 -0.000) 12.302 15.518 ( -0.077 0.000 0.000) 0.077 15.519 ( 3.053 -0.000 -0.000) 3.053 15.687 ( -8.388 0.000 0.000) 8.388 15.729 ( 6.339 -0.000 -0.000) 6.339 15.740 ( 2.537 -0.000 -0.000) 2.537 15.831 ( -2.041 0.000 0.000) 2.041 15.860 ( 1.897 -0.000 -0.000) 1.897 15.921 ( -2.248 0.000 0.000) 2.248 16.067 ( 1.613 -0.000 -0.000) 1.613 16.147 ( 1.108 -0.000 -0.000) 1.108 16.338 ( -14.858 0.000 0.000) 14.858 16.390 ( -9.773 0.000 0.000) 9.773 16.429 ( -15.336 0.000 0.000) 15.336 16.430 ( -14.588 0.000 0.000) 14.588 16.731 ( -6.104 0.000 0.000) 6.104 17.120 ( 6.117 -0.000 -0.000) 6.117 17.426 ( -41.250 0.000 0.000) 41.250 17.448 ( 13.235 -0.000 -0.000) 13.235 17.457 ( 14.270 -0.000 -0.000) 14.270 17.573 ( 3.163 -0.000 -0.000) 3.163 17.585 ( 15.788 -0.000 -0.000) 15.788 17.590 ( 16.458 -0.000 -0.000) 16.458 17.659 ( 19.394 -0.000 -0.000) 19.394 17.690 ( 19.137 -0.000 -0.000) 19.137 18.103 ( -14.242 0.000 0.000) 14.242 18.624 ( -10.642 0.000 0.000) 10.642 ======================= Grid point 144 (21/24) ======================= q-point: (-0.43 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.678 ( -12.750 -6.647 0.000) 14.379 2.691 ( -24.017 -10.849 0.000) 26.353 2.935 ( -24.558 -15.385 0.000) 28.979 2.944 ( -40.026 -1.364 0.000) 40.049 3.023 ( -24.815 -12.239 0.000) 27.669 3.249 ( -27.506 -9.285 0.000) 29.031 3.464 ( 0.052 -9.118 -0.000) 9.118 3.485 ( -17.461 -22.014 0.000) 28.098 3.616 ( -8.670 -14.087 0.000) 16.541 3.716 ( 3.588 -18.965 -0.000) 19.302 4.057 ( 6.103 8.399 -0.000) 10.382 4.197 ( -4.792 19.212 0.000) 19.801 4.331 ( -16.793 24.258 0.000) 29.504 4.440 ( 0.142 -0.159 -0.000) 0.213 4.449 ( 1.824 6.135 0.000) 6.401 4.725 ( -9.479 2.804 0.000) 9.885 4.778 ( -5.380 -6.468 0.000) 8.413 4.908 ( -15.457 -10.146 0.000) 18.490 5.002 ( -6.897 -15.525 0.000) 16.988 5.028 ( -10.559 -13.474 0.000) 17.119 5.316 ( 5.529 2.259 -0.000) 5.973 5.360 ( 23.584 14.343 -0.000) 27.603 5.520 ( 45.700 -4.533 -0.000) 45.924 5.939 ( 9.866 8.778 -0.000) 13.206 6.158 ( 24.586 1.588 -0.000) 24.637 6.334 ( 26.902 14.742 -0.000) 30.677 6.409 ( 0.585 -0.016 -0.000) 0.585 6.433 ( 4.204 29.038 0.000) 29.341 6.488 ( 26.018 7.646 -0.000) 27.118 6.643 ( 13.102 17.590 -0.000) 21.934 6.878 ( 9.605 -3.452 -0.000) 10.207 6.959 ( 30.795 -6.612 -0.000) 31.496 7.188 ( 9.474 17.483 -0.000) 19.885 7.417 ( -3.032 -1.383 0.000) 3.333 7.541 ( 17.509 -4.379 -0.000) 18.048 7.673 ( 3.701 -4.516 -0.000) 5.839 7.815 ( 5.477 9.067 -0.000) 10.593 7.922 ( -5.621 19.325 0.000) 20.126 8.359 ( 2.282 -12.319 -0.000) 12.529 8.466 ( -11.037 4.937 0.000) 12.090 8.693 ( -0.869 -24.516 -0.000) 24.532 8.950 ( -18.905 1.007 0.000) 18.932 9.178 ( -19.649 -5.247 0.000) 20.338 9.238 ( -27.444 -3.862 0.000) 27.714 9.910 ( 4.535 5.139 -0.000) 6.853 10.111 ( 7.685 -0.744 -0.000) 7.721 10.140 ( 0.781 4.166 0.000) 4.238 10.261 ( -7.562 9.526 0.000) 12.163 10.955 ( -13.907 -9.410 0.000) 16.792 11.182 ( 8.656 -1.422 -0.000) 8.772 11.392 ( 0.238 -9.171 -0.000) 9.174 11.430 ( -5.451 4.034 0.000) 6.781 11.511 ( -3.823 -2.916 0.000) 4.808 11.630 ( -9.032 -2.558 0.000) 9.387 11.826 ( 5.155 -5.779 -0.000) 7.744 11.868 ( 8.729 6.592 -0.000) 10.938 11.969 ( -1.479 3.655 0.000) 3.943 12.054 ( -1.315 -2.067 0.000) 2.450 12.200 ( 0.090 4.282 0.000) 4.283 12.248 ( 7.074 0.572 -0.000) 7.097 12.309 ( 3.463 2.438 -0.000) 4.235 12.332 ( 4.417 4.700 -0.000) 6.450 12.470 ( 3.837 -0.011 -0.000) 3.837 12.520 ( 10.685 4.592 -0.000) 11.630 12.529 ( 4.588 2.171 -0.000) 5.076 12.607 ( -1.166 3.640 0.000) 3.822 12.686 ( -0.798 2.156 0.000) 2.298 12.791 ( 0.216 1.285 0.000) 1.303 12.810 ( 2.752 -4.657 -0.000) 5.409 12.891 ( 1.941 -2.843 -0.000) 3.442 13.035 ( -5.741 -3.840 0.000) 6.907 13.518 ( 2.338 -1.643 -0.000) 2.857 13.674 ( 2.388 0.849 -0.000) 2.534 13.703 ( 9.291 2.941 -0.000) 9.745 13.775 ( -2.311 -1.626 0.000) 2.825 13.895 ( 6.145 -1.833 -0.000) 6.413 14.144 ( -7.394 3.401 0.000) 8.139 14.148 ( -0.906 -4.999 -0.000) 5.081 14.490 ( 5.923 5.128 -0.000) 7.835 14.502 ( 4.394 8.471 -0.000) 9.542 14.542 ( 4.341 1.235 -0.000) 4.513 14.628 ( 4.147 -3.194 -0.000) 5.234 14.630 ( 1.633 -3.109 -0.000) 3.512 14.691 ( 1.525 -1.306 -0.000) 2.007 14.792 ( -3.413 2.908 0.000) 4.484 14.832 ( -2.686 1.626 0.000) 3.140 14.876 ( 3.534 -10.232 -0.000) 10.825 14.993 ( 2.133 -4.403 -0.000) 4.892 15.090 ( -11.250 0.283 0.000) 11.253 15.229 ( -0.206 0.276 0.000) 0.344 15.286 ( -2.322 3.476 0.000) 4.180 15.289 ( -0.128 -2.640 -0.000) 2.644 15.418 ( 3.331 -1.720 -0.000) 3.749 15.521 ( -1.217 -1.137 0.000) 1.665 15.560 ( 4.480 0.915 -0.000) 4.572 15.577 ( -6.417 -0.473 0.000) 6.434 15.634 ( 11.569 -3.355 -0.000) 12.045 15.727 ( 0.177 6.354 0.000) 6.356 15.748 ( -0.717 4.565 0.000) 4.621 15.780 ( -1.597 -4.140 0.000) 4.437 15.871 ( 0.171 2.147 0.000) 2.154 15.950 ( 1.114 -3.987 -0.000) 4.140 16.086 ( -8.368 6.405 0.000) 10.538 16.132 ( -0.720 1.016 0.000) 1.245 16.152 ( -11.755 -5.300 0.000) 12.895 16.282 ( -9.984 -4.881 0.000) 11.113 16.321 ( -2.109 -25.642 -0.000) 25.729 16.427 ( -9.581 -15.661 0.000) 18.360 16.571 ( -17.738 -3.190 0.000) 18.023 16.819 ( -38.096 2.371 0.000) 38.170 17.182 ( 5.263 3.552 -0.000) 6.350 17.543 ( 10.330 7.195 -0.000) 12.589 17.584 ( 6.428 7.242 -0.000) 9.683 17.593 ( 10.989 6.011 -0.000) 12.526 17.769 ( 13.652 6.304 -0.000) 15.037 17.816 ( 13.383 0.225 -0.000) 13.385 17.882 ( 16.765 7.038 -0.000) 18.182 17.955 ( -1.732 6.292 0.000) 6.526 18.034 ( 18.302 -8.708 -0.000) 20.267 18.387 ( -11.177 11.340 0.000) 15.922 ======================= Grid point 145 (22/24) ======================= q-point: (-0.29 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.673 ( -20.204 0.000 7.650) 21.604 2.798 ( -26.216 0.000 15.376) 30.392 2.823 ( -16.232 0.000 14.692) 21.894 2.891 ( -27.668 0.000 -3.460) 27.884 3.074 ( -35.545 0.000 9.589) 36.815 3.254 ( -29.892 0.000 13.507) 32.802 3.469 ( -2.106 0.000 12.334) 12.512 3.543 ( -39.391 0.000 26.893) 47.696 3.615 ( 27.942 -0.000 6.192) 28.620 3.665 ( -7.602 0.000 17.854) 19.405 4.071 ( 2.818 -0.000 -26.456) 26.605 4.078 ( 4.715 -0.000 -3.536) 5.894 4.387 ( -18.356 -0.000 -19.699) 26.925 4.478 ( 0.104 -0.000 -9.464) 9.465 4.549 ( -10.497 0.000 -6.053) 12.117 4.613 ( -1.466 0.000 8.161) 8.292 4.831 ( -6.799 0.000 1.221) 6.908 4.859 ( -6.700 0.000 7.168) 9.812 5.013 ( -12.488 0.000 19.311) 22.997 5.014 ( -8.621 0.000 12.180) 14.922 5.326 ( 3.586 -0.000 -0.904) 3.698 5.370 ( 22.292 -0.000 -14.062) 26.356 5.561 ( 43.927 -0.000 10.086) 45.071 5.914 ( 8.283 -0.000 -12.546) 15.034 6.080 ( 26.909 -0.000 -10.590) 28.918 6.336 ( 24.779 -0.000 -13.700) 28.314 6.379 ( -1.882 -0.000 -3.996) 4.417 6.383 ( 29.601 -0.000 -16.728) 34.001 6.637 ( 9.514 -0.000 -15.344) 18.054 6.693 ( 8.389 -0.000 -12.200) 14.806 6.878 ( 9.847 -0.000 2.595) 10.183 7.023 ( 31.685 -0.000 19.504) 37.207 7.080 ( 7.347 -0.000 -16.163) 17.754 7.368 ( 5.916 -0.000 -19.563) 20.438 7.488 ( 5.796 -0.000 2.428) 6.284 7.646 ( 13.625 -0.000 4.933) 14.491 7.918 ( 2.654 -0.000 -0.205) 2.662 8.000 ( -8.269 -0.000 -20.351) 21.967 8.306 ( -4.264 0.000 9.261) 10.196 8.438 ( -2.484 0.000 3.740) 4.490 8.683 ( -5.801 0.000 16.378) 17.375 9.029 ( -12.584 0.000 10.672) 16.500 9.155 ( -26.479 0.000 -5.909) 27.130 9.192 ( -21.582 0.000 6.183) 22.450 9.923 ( 2.467 -0.000 -4.185) 4.858 10.086 ( 7.694 -0.000 -2.078) 7.969 10.151 ( 1.808 -0.000 -2.697) 3.247 10.275 ( -8.417 0.000 -8.036) 11.637 10.959 ( -14.259 0.000 9.587) 17.182 11.240 ( 8.128 -0.000 7.399) 10.992 11.297 ( -1.210 -0.000 -2.387) 2.676 11.479 ( -5.195 0.000 3.595) 6.318 11.491 ( -1.374 0.000 0.346) 1.417 11.633 ( -9.423 0.000 2.885) 9.855 11.786 ( 8.556 -0.000 -0.578) 8.576 11.895 ( 10.326 -0.000 -2.011) 10.520 11.990 ( -7.515 0.000 -3.647) 8.353 12.035 ( -0.565 0.000 3.731) 3.773 12.199 ( 5.829 -0.000 -5.867) 8.270 12.238 ( 1.038 -0.000 -0.044) 1.039 12.303 ( 4.697 -0.000 -2.196) 5.185 12.410 ( 1.979 -0.000 -7.707) 7.957 12.431 ( 4.089 0.000 4.860) 6.351 12.531 ( 4.478 -0.000 -4.828) 6.585 12.567 ( 6.704 -0.000 1.718) 6.921 12.570 ( 5.955 -0.000 -4.383) 7.394 12.628 ( 1.144 -0.000 -6.263) 6.367 12.769 ( 1.462 -0.000 -0.747) 1.641 12.855 ( -0.339 0.000 4.229) 4.242 12.929 ( -1.428 0.000 4.650) 4.865 13.009 ( -4.075 0.000 2.277) 4.668 13.513 ( 3.291 -0.000 1.015) 3.444 13.653 ( 3.970 -0.000 -1.372) 4.200 13.705 ( 9.218 -0.000 -2.850) 9.649 13.788 ( -2.924 0.000 1.911) 3.493 13.959 ( 5.643 0.000 9.097) 10.705 14.013 ( -3.139 -0.000 -7.250) 7.901 14.224 ( -6.446 0.000 2.264) 6.832 14.478 ( 5.479 -0.000 -5.639) 7.862 14.503 ( 4.836 -0.000 -5.368) 7.225 14.595 ( -0.866 -0.000 -2.783) 2.915 14.601 ( 4.553 -0.000 1.969) 4.961 14.676 ( 6.301 -0.000 0.067) 6.301 14.694 ( 0.325 0.000 2.855) 2.874 14.727 ( 1.867 0.000 3.416) 3.893 14.794 ( -4.702 0.000 -1.675) 4.991 14.911 ( 2.445 0.000 6.199) 6.663 14.983 ( 0.468 0.000 2.871) 2.909 15.105 ( -9.490 0.000 0.104) 9.490 15.234 ( -0.484 0.000 -0.293) 0.565 15.245 ( -0.346 -0.000 -0.724) 0.803 15.323 ( -2.002 0.000 0.074) 2.004 15.416 ( 3.893 -0.000 1.564) 4.195 15.514 ( 0.632 0.000 1.651) 1.768 15.566 ( -6.503 0.000 -0.705) 6.541 15.603 ( 5.193 -0.000 -1.915) 5.535 15.616 ( 3.842 0.000 4.270) 5.744 15.690 ( 1.242 -0.000 -2.199) 2.526 15.787 ( -0.801 0.000 0.994) 1.276 15.811 ( -1.018 -0.000 -5.425) 5.520 15.886 ( -0.904 0.000 -0.876) 1.259 15.921 ( 3.019 0.000 4.415) 5.348 16.046 ( -5.085 -0.000 -5.885) 7.778 16.087 ( -1.879 0.000 3.531) 4.000 16.219 ( -11.834 0.000 -0.341) 11.839 16.248 ( -7.388 0.000 7.732) 10.694 16.368 ( -6.266 0.000 22.674) 23.524 16.409 ( -8.737 0.000 16.386) 18.569 16.567 ( -16.510 0.000 2.369) 16.679 16.821 ( -39.251 0.000 -2.118) 39.308 17.182 ( 5.829 -0.000 -3.714) 6.911 17.554 ( 11.743 -0.000 -8.221) 14.334 17.567 ( 6.713 -0.000 -6.302) 9.208 17.600 ( 8.648 -0.000 -5.361) 10.175 17.754 ( 14.629 -0.000 -5.764) 15.724 17.833 ( 12.106 -0.000 -1.016) 12.148 17.894 ( 16.137 -0.000 -8.526) 18.251 17.957 ( -1.875 -0.000 -5.953) 6.242 18.014 ( 19.607 -0.000 9.310) 21.705 18.389 ( -11.032 0.000 -10.977) 15.563 ======================= Grid point 152 (23/24) ======================= q-point: (-0.43 -0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.474 ( -8.693 -9.043 7.289) 14.508 2.474 ( -7.991 -7.640 9.394) 14.508 2.709 ( -15.474 -17.062 9.120) 24.774 2.709 ( -12.297 -10.709 18.651) 24.774 2.826 ( -17.090 -17.090 17.090) 29.600 3.186 ( -21.432 -32.529 19.316) 43.481 3.186 ( -32.783 -21.855 21.379) 44.826 3.186 ( -20.251 -20.082 33.771) 44.203 3.881 ( 11.740 11.740 -11.740) 20.334 3.997 ( 6.659 2.763 -22.241) 23.380 3.997 ( 14.450 18.346 1.133) 23.380 4.138 ( 2.008 2.008 -2.008) 3.478 4.231 ( -0.175 -3.770 -14.204) 14.697 4.231 ( 7.015 10.610 7.364) 14.697 4.532 ( 2.688 2.688 -2.688) 4.656 4.635 ( -4.842 -6.503 -1.803) 8.306 4.635 ( -1.519 0.142 8.165) 8.306 4.921 ( -12.947 -12.947 12.947) 22.426 4.928 ( -12.440 -13.464 8.345) 20.141 4.928 ( -10.392 -9.368 14.488) 20.141 5.370 ( 2.106 2.106 -2.106) 3.648 5.551 ( 17.036 17.036 -17.036) 29.508 5.952 ( 5.981 4.668 -11.235) 13.557 5.952 ( 8.608 9.921 -3.355) 13.557 6.263 ( 6.557 6.557 -6.557) 11.357 6.508 ( 13.595 12.473 -18.082) 25.833 6.508 ( 15.838 16.960 -11.351) 25.833 6.613 ( 3.090 3.090 -3.090) 5.353 6.675 ( 13.575 13.172 -15.188) 24.258 6.675 ( 14.381 14.784 -12.769) 24.258 6.849 ( 3.140 3.140 -3.140) 5.439 7.267 ( 7.370 5.513 -14.799) 17.427 7.267 ( 11.084 12.941 -3.656) 17.427 7.562 ( 6.921 4.771 -15.519) 17.649 7.562 ( 11.220 13.369 -2.622) 17.649 7.575 ( -0.356 -0.356 0.356) 0.617 8.006 ( -0.572 -1.195 -1.920) 2.333 8.006 ( 0.674 1.297 1.818) 2.333 8.162 ( 1.117 1.117 -1.117) 1.935 8.610 ( -4.814 -4.814 4.814) 8.338 8.655 ( -10.631 -13.278 0.042) 17.010 8.655 ( -5.337 -2.690 15.926) 17.010 8.988 ( -13.863 -14.406 11.692) 23.161 8.988 ( -12.778 -12.235 14.949) 23.161 9.936 ( 3.615 3.615 -3.615) 6.262 10.164 ( 1.927 1.473 -3.740) 4.458 10.164 ( 2.833 3.287 -1.020) 4.458 10.167 ( 2.067 2.067 -2.067) 3.581 10.856 ( -9.379 -9.379 9.379) 16.245 11.327 ( -1.557 -2.931 -3.940) 5.151 11.327 ( 1.191 2.566 4.305) 5.151 11.398 ( -1.839 -1.839 1.839) 3.185 11.516 ( -4.654 -5.789 0.114) 7.429 11.516 ( -2.384 -1.249 6.924) 7.429 11.908 ( -0.555 -1.328 -2.537) 2.917 11.908 ( 0.991 1.764 2.101) 2.917 11.918 ( -1.143 -1.143 1.143) 1.979 12.128 ( 2.671 0.763 -10.306) 10.674 12.128 ( 6.489 8.397 1.146) 10.674 12.291 ( 0.061 0.061 -0.061) 0.105 12.382 ( 3.533 2.902 -6.055) 7.587 12.382 ( 4.794 5.424 -2.272) 7.587 12.468 ( 1.921 1.921 -1.921) 3.328 12.549 ( 4.616 4.616 -4.616) 7.996 12.613 ( 0.918 0.758 -1.560) 1.962 12.613 ( 1.239 1.399 -0.597) 1.962 12.663 ( 3.481 3.481 -3.481) 6.029 12.820 ( -0.894 -1.597 -1.916) 2.650 12.820 ( 0.511 1.214 2.299) 2.650 12.946 ( -3.685 -4.596 0.044) 5.891 12.946 ( -1.865 -0.954 5.506) 5.891 13.535 ( 0.232 0.232 -0.232) 0.401 13.727 ( -1.531 -2.452 -2.155) 3.606 13.727 ( 0.312 1.234 3.374) 3.606 13.783 ( 4.914 4.914 -4.914) 8.511 14.014 ( -0.980 -2.074 -3.392) 4.095 14.014 ( 1.206 2.299 3.167) 4.095 14.141 ( -2.326 -2.326 2.326) 4.028 14.532 ( 3.893 3.893 -3.893) 6.742 14.563 ( 2.569 1.762 -5.794) 6.579 14.563 ( 4.181 4.988 -0.956) 6.579 14.626 ( 0.017 -0.568 -2.359) 2.427 14.626 ( 1.188 1.774 1.154) 2.427 14.755 ( -0.181 -0.181 0.181) 0.313 14.786 ( -2.863 -3.805 -0.903) 4.846 14.786 ( -0.980 -0.039 4.746) 4.847 14.963 ( -3.006 -3.915 -0.630) 4.977 14.963 ( -1.188 -0.279 4.825) 4.977 14.991 ( -3.806 -3.806 3.806) 6.592 15.218 ( 1.092 1.092 -1.092) 1.891 15.279 ( -1.428 -1.861 -0.301) 2.365 15.279 ( -0.563 -0.131 2.293) 2.365 15.447 ( 1.190 1.190 -1.190) 2.061 15.521 ( -1.527 -1.755 0.618) 2.407 15.521 ( -1.073 -0.845 1.982) 2.407 15.612 ( 3.801 3.801 -3.801) 6.584 15.723 ( 0.597 -0.898 -6.579) 6.666 15.723 ( 3.588 5.083 2.393) 6.666 15.744 ( -2.479 -2.479 2.479) 4.293 15.795 ( -0.523 -1.909 -5.023) 5.399 15.795 ( 2.250 3.637 3.296) 5.399 15.931 ( 1.095 1.095 -1.095) 1.897 16.050 ( -2.794 -4.000 -2.027) 5.284 16.050 ( -0.384 0.822 5.205) 5.284 16.300 ( -9.044 -9.044 9.044) 15.664 16.309 ( -12.732 -14.746 4.676) 20.035 16.309 ( -8.704 -6.690 16.760) 20.035 16.331 ( -6.937 -6.937 6.937) 12.015 16.364 ( -10.028 -10.515 8.079) 16.625 16.364 ( -9.054 -8.566 11.002) 16.625 17.227 ( 3.261 3.261 -3.261) 5.648 17.617 ( 6.785 6.666 -7.263) 11.968 17.617 ( 7.024 7.144 -6.546) 11.968 17.672 ( 5.218 5.218 -5.218) 9.038 17.894 ( 5.668 4.834 -9.002) 11.684 17.894 ( 7.335 8.168 -4.001) 11.684 17.947 ( 4.106 4.106 -4.106) 7.111 18.153 ( 3.577 3.577 -3.577) 6.196 18.171 ( 1.402 -0.647 -9.595) 9.718 18.171 ( 5.498 7.546 2.695) 9.718 ======================= Grid point 208 (24/24) ======================= q-point: (-0.43 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( -17.543 0.000 0.000) 17.543 2.402 ( -34.130 0.000 0.000) 34.130 2.470 ( -13.167 0.000 0.000) 13.167 2.487 ( -14.330 0.000 0.000) 14.330 2.564 ( -24.314 0.000 0.000) 24.314 2.793 ( -18.218 0.000 0.000) 18.218 2.820 ( -21.524 0.000 0.000) 21.524 2.842 ( -23.679 0.000 0.000) 23.679 4.000 ( 28.936 -0.000 -0.000) 28.936 4.050 ( 29.290 -0.000 -0.000) 29.290 4.148 ( 1.562 -0.000 -0.000) 1.562 4.342 ( -2.638 0.000 0.000) 2.638 4.390 ( -9.517 0.000 0.000) 9.517 4.396 ( -8.642 0.000 0.000) 8.642 4.500 ( -0.069 0.000 0.000) 0.069 4.550 ( -10.011 0.000 0.000) 10.011 4.577 ( -1.258 0.000 0.000) 1.258 4.640 ( -10.392 0.000 0.000) 10.392 4.671 ( -15.817 0.000 0.000) 15.817 4.745 ( -13.687 0.000 0.000) 13.687 5.417 ( 4.538 -0.000 -0.000) 4.538 5.840 ( 24.228 -0.000 -0.000) 24.228 6.003 ( 21.149 -0.000 -0.000) 21.149 6.108 ( 4.377 -0.000 -0.000) 4.377 6.324 ( -8.503 0.000 0.000) 8.503 6.586 ( 32.020 -0.000 -0.000) 32.020 6.761 ( 16.573 -0.000 -0.000) 16.573 6.840 ( 5.231 -0.000 -0.000) 5.231 6.870 ( 15.025 -0.000 -0.000) 15.025 6.893 ( 8.890 -0.000 -0.000) 8.890 6.962 ( 1.367 -0.000 -0.000) 1.367 7.330 ( 28.360 -0.000 -0.000) 28.360 7.493 ( 5.320 -0.000 -0.000) 5.320 7.534 ( 3.706 -0.000 -0.000) 3.706 7.754 ( 18.335 -0.000 -0.000) 18.335 7.756 ( 32.897 -0.000 -0.000) 32.897 8.047 ( 11.649 -0.000 -0.000) 11.649 8.077 ( -8.293 0.000 0.000) 8.293 8.262 ( 1.841 -0.000 -0.000) 1.841 8.267 ( -6.801 0.000 0.000) 6.801 8.432 ( -5.577 0.000 0.000) 5.577 8.660 ( -24.439 0.000 0.000) 24.439 8.724 ( -32.424 0.000 0.000) 32.424 8.741 ( -33.626 0.000 0.000) 33.626 9.981 ( 1.504 -0.000 -0.000) 1.504 10.171 ( 2.830 -0.000 -0.000) 2.830 10.180 ( 1.123 -0.000 -0.000) 1.123 10.223 ( -4.908 0.000 0.000) 4.908 10.717 ( -8.942 0.000 0.000) 8.942 11.309 ( 7.413 -0.000 -0.000) 7.413 11.330 ( 2.611 -0.000 -0.000) 2.611 11.397 ( -4.025 0.000 0.000) 4.025 11.438 ( -3.454 0.000 0.000) 3.454 11.482 ( -7.873 0.000 0.000) 7.873 11.863 ( 4.786 -0.000 -0.000) 4.786 11.916 ( -2.070 0.000 0.000) 2.070 11.934 ( -4.638 0.000 0.000) 4.638 12.176 ( 11.795 -0.000 -0.000) 11.795 12.255 ( 1.590 -0.000 -0.000) 1.590 12.281 ( -1.308 0.000 0.000) 1.308 12.429 ( 8.918 -0.000 -0.000) 8.918 12.464 ( 5.046 -0.000 -0.000) 5.046 12.497 ( 0.952 -0.000 -0.000) 0.952 12.602 ( 4.313 -0.000 -0.000) 4.313 12.628 ( 0.515 -0.000 -0.000) 0.515 12.641 ( -0.260 0.000 0.000) 0.260 12.768 ( 5.815 -0.000 -0.000) 5.815 12.798 ( 1.748 -0.000 -0.000) 1.748 12.808 ( 0.383 -0.000 -0.000) 0.383 12.870 ( -0.206 0.000 0.000) 0.206 12.921 ( -6.290 0.000 0.000) 6.290 13.537 ( 1.130 -0.000 -0.000) 1.130 13.702 ( 2.052 -0.000 -0.000) 2.052 13.738 ( -2.542 0.000 0.000) 2.542 13.867 ( 9.112 -0.000 -0.000) 9.112 13.988 ( 6.040 -0.000 -0.000) 6.040 14.071 ( -2.905 0.000 0.000) 2.905 14.080 ( -5.709 0.000 0.000) 5.709 14.592 ( 2.411 -0.000 -0.000) 2.411 14.597 ( 2.028 -0.000 -0.000) 2.028 14.617 ( -0.184 0.000 0.000) 0.184 14.635 ( 2.858 -0.000 -0.000) 2.858 14.667 ( -1.211 0.000 0.000) 1.211 14.722 ( 5.599 -0.000 -0.000) 5.599 14.760 ( 4.682 -0.000 -0.000) 4.682 14.786 ( 0.670 -0.000 -0.000) 0.670 14.880 ( -0.412 0.000 0.000) 0.412 14.944 ( -8.916 0.000 0.000) 8.916 14.944 ( -4.910 0.000 0.000) 4.910 15.245 ( 0.308 -0.000 -0.000) 0.308 15.249 ( 0.035 -0.000 -0.000) 0.035 15.269 ( -2.600 0.000 0.000) 2.600 15.460 ( 2.829 -0.000 -0.000) 2.829 15.503 ( 0.009 -0.000 -0.000) 0.009 15.517 ( -1.598 0.000 0.000) 1.598 15.664 ( -4.135 0.000 0.000) 4.135 15.682 ( 10.800 -0.000 -0.000) 10.800 15.743 ( 8.267 -0.000 -0.000) 8.267 15.819 ( -0.204 0.000 0.000) 0.204 15.859 ( 1.749 -0.000 -0.000) 1.749 15.926 ( 2.425 -0.000 -0.000) 2.425 15.938 ( 4.459 -0.000 -0.000) 4.459 15.943 ( -9.856 0.000 0.000) 9.856 15.985 ( -7.023 0.000 0.000) 7.023 16.060 ( -5.870 0.000 0.000) 5.870 16.098 ( -9.488 0.000 0.000) 9.488 16.142 ( -1.855 0.000 0.000) 1.855 16.150 ( -2.821 0.000 0.000) 2.821 16.263 ( -22.619 0.000 0.000) 22.619 16.327 ( -27.731 0.000 0.000) 27.731 17.277 ( 3.517 -0.000 -0.000) 3.517 17.722 ( 5.812 -0.000 -0.000) 5.812 17.729 ( 5.621 -0.000 -0.000) 5.621 17.732 ( 5.170 -0.000 -0.000) 5.170 17.999 ( 9.516 -0.000 -0.000) 9.516 18.001 ( 9.230 -0.000 -0.000) 9.230 18.027 ( 3.629 -0.000 -0.000) 3.629 18.149 ( 10.725 -0.000 -0.000) 10.725 18.154 ( 10.056 -0.000 -0.000) 10.056 18.314 ( -9.924 0.000 0.000) 9.924 =================== 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 3/41160 10.0 49651.949 49651.949 49651.949 0.000 -0.000 -0.000 3/41160 20.0 3039.574 3039.574 3039.574 0.000 -0.000 -0.000 3/41160 30.0 749.532 749.532 749.532 0.000 -0.000 -0.000 3/41160 40.0 340.341 340.341 340.341 0.000 -0.000 -0.000 3/41160 50.0 199.701 199.701 199.701 0.000 -0.000 -0.000 3/41160 60.0 134.331 134.331 134.331 0.000 -0.000 -0.000 3/41160 70.0 98.000 98.000 98.000 0.000 -0.000 -0.000 3/41160 80.0 75.343 75.343 75.343 0.000 -0.000 -0.000 3/41160 90.0 60.096 60.096 60.096 0.000 -0.000 -0.000 3/41160 100.0 49.289 49.289 49.289 0.000 -0.000 -0.000 3/41160 110.0 41.337 41.337 41.337 0.000 -0.000 -0.000 3/41160 120.0 35.316 35.316 35.316 0.000 -0.000 -0.000 3/41160 130.0 30.651 30.651 30.651 0.000 -0.000 -0.000 3/41160 140.0 26.965 26.965 26.965 0.000 -0.000 -0.000 3/41160 150.0 24.002 24.002 24.002 0.000 -0.000 -0.000 3/41160 160.0 21.583 21.583 21.583 0.000 -0.000 -0.000 3/41160 170.0 19.582 19.582 19.582 0.000 -0.000 -0.000 3/41160 180.0 17.905 17.905 17.905 0.000 -0.000 -0.000 3/41160 190.0 16.484 16.484 16.484 0.000 -0.000 -0.000 3/41160 200.0 15.268 15.268 15.268 0.000 -0.000 -0.000 3/41160 210.0 14.218 14.218 14.218 0.000 -0.000 -0.000 3/41160 220.0 13.302 13.302 13.302 0.000 -0.000 -0.000 3/41160 230.0 12.498 12.498 12.498 0.000 -0.000 -0.000 3/41160 240.0 11.787 11.787 11.787 0.000 -0.000 -0.000 3/41160 250.0 11.154 11.154 11.154 0.000 -0.000 -0.000 3/41160 260.0 10.587 10.587 10.587 0.000 -0.000 -0.000 3/41160 270.0 10.076 10.076 10.076 0.000 -0.000 -0.000 3/41160 280.0 9.614 9.614 9.614 0.000 -0.000 -0.000 3/41160 290.0 9.194 9.194 9.194 0.000 -0.000 -0.000 3/41160 300.0 8.810 8.810 8.810 0.000 -0.000 -0.000 3/41160 310.0 8.458 8.458 8.458 0.000 -0.000 -0.000 3/41160 320.0 8.134 8.134 8.134 0.000 -0.000 -0.000 3/41160 330.0 7.835 7.835 7.835 0.000 -0.000 -0.000 3/41160 340.0 7.558 7.558 7.558 0.000 -0.000 -0.000 3/41160 350.0 7.301 7.301 7.301 0.000 -0.000 -0.000 3/41160 360.0 7.062 7.062 7.062 0.000 -0.000 -0.000 3/41160 370.0 6.838 6.838 6.838 0.000 -0.000 -0.000 3/41160 380.0 6.628 6.628 6.628 0.000 -0.000 -0.000 3/41160 390.0 6.432 6.432 6.432 0.000 -0.000 -0.000 3/41160 400.0 6.247 6.247 6.247 0.000 -0.000 -0.000 3/41160 410.0 6.073 6.073 6.073 0.000 -0.000 -0.000 3/41160 420.0 5.909 5.909 5.909 0.000 -0.000 -0.000 3/41160 430.0 5.754 5.754 5.754 0.000 -0.000 -0.000 3/41160 440.0 5.607 5.607 5.607 0.000 -0.000 -0.000 3/41160 450.0 5.468 5.468 5.468 0.000 -0.000 -0.000 3/41160 460.0 5.335 5.335 5.335 0.000 -0.000 -0.000 3/41160 470.0 5.209 5.209 5.209 0.000 -0.000 -0.000 3/41160 480.0 5.089 5.089 5.089 0.000 -0.000 -0.000 3/41160 490.0 4.975 4.975 4.975 0.000 -0.000 -0.000 3/41160 500.0 4.866 4.866 4.866 0.000 -0.000 -0.000 3/41160 510.0 4.762 4.762 4.762 0.000 -0.000 -0.000 3/41160 520.0 4.662 4.662 4.662 0.000 -0.000 -0.000 3/41160 530.0 4.566 4.566 4.566 0.000 -0.000 -0.000 3/41160 540.0 4.475 4.475 4.475 0.000 -0.000 -0.000 3/41160 550.0 4.387 4.387 4.387 0.000 -0.000 -0.000 3/41160 560.0 4.303 4.303 4.303 0.000 -0.000 -0.000 3/41160 570.0 4.221 4.221 4.221 0.000 -0.000 -0.000 3/41160 580.0 4.143 4.143 4.143 0.000 -0.000 -0.000 3/41160 590.0 4.068 4.068 4.068 0.000 -0.000 -0.000 3/41160 600.0 3.996 3.996 3.996 0.000 -0.000 -0.000 3/41160 610.0 3.926 3.926 3.926 0.000 -0.000 -0.000 3/41160 620.0 3.859 3.859 3.859 0.000 -0.000 -0.000 3/41160 630.0 3.794 3.794 3.794 0.000 -0.000 -0.000 3/41160 640.0 3.731 3.731 3.731 0.000 -0.000 -0.000 3/41160 650.0 3.670 3.670 3.670 0.000 -0.000 -0.000 3/41160 660.0 3.612 3.612 3.612 0.000 -0.000 -0.000 3/41160 670.0 3.555 3.555 3.555 0.000 -0.000 -0.000 3/41160 680.0 3.500 3.500 3.500 0.000 -0.000 -0.000 3/41160 690.0 3.446 3.446 3.446 0.000 -0.000 -0.000 3/41160 700.0 3.395 3.395 3.395 0.000 -0.000 -0.000 3/41160 710.0 3.345 3.345 3.345 0.000 -0.000 -0.000 3/41160 720.0 3.296 3.296 3.296 0.000 -0.000 -0.000 3/41160 730.0 3.249 3.249 3.249 0.000 -0.000 -0.000 3/41160 740.0 3.203 3.203 3.203 0.000 -0.000 -0.000 3/41160 750.0 3.158 3.158 3.158 0.000 -0.000 -0.000 3/41160 760.0 3.115 3.115 3.115 0.000 -0.000 -0.000 3/41160 770.0 3.073 3.073 3.073 0.000 -0.000 -0.000 3/41160 780.0 3.032 3.032 3.032 0.000 -0.000 -0.000 3/41160 790.0 2.992 2.992 2.992 0.000 -0.000 -0.000 3/41160 800.0 2.953 2.953 2.953 0.000 -0.000 -0.000 3/41160 810.0 2.915 2.915 2.915 0.000 -0.000 -0.000 3/41160 820.0 2.879 2.879 2.879 0.000 -0.000 -0.000 3/41160 830.0 2.843 2.843 2.843 0.000 -0.000 -0.000 3/41160 840.0 2.808 2.808 2.808 0.000 -0.000 -0.000 3/41160 850.0 2.773 2.773 2.773 0.000 -0.000 -0.000 3/41160 860.0 2.740 2.740 2.740 0.000 -0.000 -0.000 3/41160 870.0 2.708 2.708 2.708 0.000 -0.000 -0.000 3/41160 880.0 2.676 2.676 2.676 0.000 -0.000 -0.000 3/41160 890.0 2.645 2.645 2.645 0.000 -0.000 -0.000 3/41160 900.0 2.615 2.615 2.615 0.000 -0.000 -0.000 3/41160 910.0 2.585 2.585 2.585 0.000 -0.000 -0.000 3/41160 920.0 2.556 2.556 2.556 0.000 -0.000 -0.000 3/41160 930.0 2.528 2.528 2.528 0.000 -0.000 -0.000 3/41160 940.0 2.500 2.500 2.500 0.000 -0.000 -0.000 3/41160 950.0 2.473 2.473 2.473 0.000 -0.000 -0.000 3/41160 960.0 2.447 2.447 2.447 0.000 -0.000 -0.000 3/41160 970.0 2.421 2.421 2.421 0.000 -0.000 -0.000 3/41160 980.0 2.396 2.396 2.396 0.000 -0.000 -0.000 3/41160 990.0 2.371 2.371 2.371 0.000 -0.000 -0.000 3/41160 1000.0 2.347 2.347 2.347 0.000 -0.000 -0.000 3/41160 Thermal conductivity related properties were written into "kappa-m777.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 17:54:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|