----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 06:43:34]------------------------- Compiled with OpenMP support (max 32 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.259203949155884 -3.599916195000000 0.000000000000000 b 6.259203949155884 3.599916195000000 0.000000000000000 c -4.296364961371236 0.000000000000000 13.806567421869280 Atomic positions (fractional): *1 P 0.55652918806364 0.03980963946244 0.37729143592147 30.974 2 P 0.96019036053756 0.44347081193636 0.62270856407853 30.974 3 P 0.44347081193636 0.96019036053756 0.62270856407853 30.974 4 P 0.03980963946244 0.55652918806364 0.37729143592147 30.974 *5 P 0.55782285619262 0.03053543532965 0.22262128917619 30.974 6 P 0.96946456467035 0.44217714380738 0.77737871082381 30.974 7 P 0.44217714380738 0.96946456467035 0.77737871082381 30.974 8 P 0.03053543532965 0.55782285619262 0.22262128917619 30.974 *9 P 0.22290918924019 0.22290918924019 0.40833024417577 30.974 10 P 0.77709081075981 0.77709081075981 0.59166975582423 30.974 *11 P 0.10358178763449 0.10358178763449 0.79713997834767 30.974 12 P 0.89641821236551 0.89641821236551 0.20286002165233 30.974 *13 P 0.34542404277438 0.34542404277438 0.04316216905821 30.974 14 P 0.65457595722562 0.65457595722562 0.95683783094179 30.974 *15 P 0.47165488384178 0.47165488384178 0.64696336227384 30.974 16 P 0.52834511615822 0.52834511615822 0.35303663772616 30.974 *17 P 0.82971533375983 0.35570742926156 0.01947410237120 30.974 18 P 0.64429257073844 0.17028466624017 0.98052589762880 30.974 19 P 0.17028466624017 0.64429257073844 0.98052589762880 30.974 20 P 0.35570742926156 0.82971533375983 0.01947410237120 30.974 *21 P 0.23431687248529 0.72902332617651 0.42107518420357 30.974 22 P 0.27097667382349 0.76568312751471 0.57892481579643 30.974 23 P 0.76568312751471 0.27097667382349 0.57892481579643 30.974 24 P 0.72902332617651 0.23431687248529 0.42107518420357 30.974 *25 P 0.77486328357491 0.45791409090435 0.17209251259975 30.974 26 P 0.54208590909565 0.22513671642510 0.82790748740025 30.974 27 P 0.22513671642510 0.54208590909565 0.82790748740025 30.974 28 P 0.45791409090435 0.77486328357490 0.17209251259975 30.974 *29 Cu 0.71753615215438 0.71753615215438 0.42587462911760 63.546 30 Cu 0.28246384784562 0.28246384784562 0.57412537088240 63.546 *31 Cu 0.61559483738765 0.61559483738765 0.79446154508658 63.546 32 Cu 0.38440516261235 0.38440516261235 0.20553845491342 63.546 *33 Cu 0.84408297457402 0.84408297457402 0.03300870611510 63.546 34 Cu 0.15591702542598 0.15591702542598 0.96699129388491 63.546 *35 Cu 0.96621977513082 0.96621977513082 0.64696126844516 63.546 36 Cu 0.03378022486918 0.03378022486918 0.35303873155484 63.546 -------------------------------- unit cell --------------------------------- Lattice vectors: a 12.518407898311768 0.000000000000000 0.000000000000000 b 0.000000000000000 7.199832390000000 0.000000000000000 c -4.296364961371236 0.000000000000000 13.806567421869280 Atomic positions (fractional): *1 P 0.79816941376304 0.24164022569940 0.37729143592147 30.974 > 1 2 P 0.20183058623696 0.24164022569940 0.62270856407853 30.974 > 2 3 P 0.20183058623696 0.75835977430060 0.62270856407853 30.974 > 3 4 P 0.79816941376304 0.75835977430060 0.37729143592147 30.974 > 4 *5 P 0.79417914576114 0.23635628956852 0.22262128917619 30.974 > 5 6 P 0.20582085423886 0.23635628956852 0.77737871082381 30.974 > 6 7 P 0.20582085423886 0.76364371043148 0.77737871082381 30.974 > 7 8 P 0.79417914576114 0.76364371043148 0.22262128917619 30.974 > 8 *9 P 0.72290918924019 0.50000000000000 0.40833024417577 30.974 > 9 10 P 0.27709081075981 0.50000000000000 0.59166975582423 30.974 > 10 *11 P 0.10358178763449 0.00000000000000 0.79713997834767 30.974 > 11 12 P 0.89641821236551 0.00000000000000 0.20286002165233 30.974 > 12 *13 P 0.84542404277438 0.50000000000000 0.04316216905821 30.974 > 13 14 P 0.15457595722562 0.50000000000000 0.95683783094179 30.974 > 14 *15 P 0.97165488384178 0.50000000000000 0.64696336227384 30.974 > 15 16 P 0.02834511615822 0.50000000000000 0.35303663772616 30.974 > 16 *17 P 0.59271138151070 0.76299604775087 0.01947410237120 30.974 > 17 18 P 0.40728861848930 0.76299604775087 0.98052589762880 30.974 > 18 19 P 0.40728861848930 0.23700395224913 0.98052589762880 30.974 > 19 20 P 0.59271138151070 0.23700395224913 0.01947410237120 30.974 > 20 *21 P 0.98167009933090 0.74735322684561 0.42107518420357 30.974 > 21 22 P 0.01832990066910 0.74735322684561 0.57892481579643 30.974 > 22 23 P 0.01832990066910 0.25264677315439 0.57892481579643 30.974 > 23 24 P 0.98167009933090 0.25264677315439 0.42107518420357 30.974 > 24 *25 P 0.61638868723963 0.84152540366472 0.17209251259975 30.974 > 25 26 P 0.38361131276037 0.84152540366472 0.82790748740025 30.974 > 26 27 P 0.38361131276037 0.15847459633528 0.82790748740025 30.974 > 27 28 P 0.61638868723963 0.15847459633528 0.17209251259975 30.974 > 28 29 P 0.29816941376304 0.74164022569940 0.37729143592147 30.974 > 1 30 P 0.70183058623696 0.74164022569940 0.62270856407853 30.974 > 2 31 P 0.70183058623696 0.25835977430060 0.62270856407853 30.974 > 3 32 P 0.29816941376304 0.25835977430060 0.37729143592147 30.974 > 4 33 P 0.29417914576114 0.73635628956852 0.22262128917619 30.974 > 5 34 P 0.70582085423886 0.73635628956852 0.77737871082381 30.974 > 6 35 P 0.70582085423886 0.26364371043148 0.77737871082381 30.974 > 7 36 P 0.29417914576114 0.26364371043148 0.22262128917619 30.974 > 8 37 P 0.22290918924019 0.00000000000000 0.40833024417577 30.974 > 9 38 P 0.77709081075981 0.00000000000000 0.59166975582423 30.974 > 10 39 P 0.60358178763449 0.50000000000000 0.79713997834767 30.974 > 11 40 P 0.39641821236551 0.50000000000000 0.20286002165233 30.974 > 12 41 P 0.34542404277438 0.00000000000000 0.04316216905821 30.974 > 13 42 P 0.65457595722562 0.00000000000000 0.95683783094179 30.974 > 14 43 P 0.47165488384178 0.00000000000000 0.64696336227384 30.974 > 15 44 P 0.52834511615822 0.00000000000000 0.35303663772616 30.974 > 16 45 P 0.09271138151070 0.26299604775087 0.01947410237120 30.974 > 17 46 P 0.90728861848930 0.26299604775087 0.98052589762880 30.974 > 18 47 P 0.90728861848930 0.73700395224913 0.98052589762880 30.974 > 19 48 P 0.09271138151070 0.73700395224913 0.01947410237120 30.974 > 20 49 P 0.48167009933090 0.24735322684561 0.42107518420357 30.974 > 21 50 P 0.51832990066910 0.24735322684561 0.57892481579643 30.974 > 22 51 P 0.51832990066910 0.75264677315439 0.57892481579643 30.974 > 23 52 P 0.48167009933090 0.75264677315439 0.42107518420357 30.974 > 24 53 P 0.11638868723963 0.34152540366472 0.17209251259975 30.974 > 25 54 P 0.88361131276037 0.34152540366472 0.82790748740025 30.974 > 26 55 P 0.88361131276037 0.65847459633528 0.82790748740025 30.974 > 27 56 P 0.11638868723963 0.65847459633528 0.17209251259975 30.974 > 28 *57 Cu 0.71753615215438 0.00000000000000 0.42587462911760 63.546 > 29 58 Cu 0.28246384784562 0.00000000000000 0.57412537088240 63.546 > 30 *59 Cu 0.11559483738765 0.50000000000000 0.79446154508658 63.546 > 31 60 Cu 0.88440516261235 0.50000000000000 0.20553845491342 63.546 > 32 *61 Cu 0.84408297457402 0.00000000000000 0.03300870611510 63.546 > 33 62 Cu 0.15591702542598 0.00000000000000 0.96699129388491 63.546 > 34 *63 Cu 0.96621977513082 0.00000000000000 0.64696126844516 63.546 > 35 64 Cu 0.03378022486918 0.00000000000000 0.35303873155484 63.546 > 36 65 Cu 0.21753615215438 0.50000000000000 0.42587462911760 63.546 > 29 66 Cu 0.78246384784562 0.50000000000000 0.57412537088240 63.546 > 30 67 Cu 0.61559483738765 0.00000000000000 0.79446154508658 63.546 > 31 68 Cu 0.38440516261235 0.00000000000000 0.20553845491342 63.546 > 32 69 Cu 0.34408297457402 0.50000000000000 0.03300870611510 63.546 > 33 70 Cu 0.65591702542598 0.50000000000000 0.96699129388491 63.546 > 34 71 Cu 0.46621977513082 0.50000000000000 0.64696126844516 63.546 > 35 72 Cu 0.53378022486918 0.50000000000000 0.35303873155484 63.546 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.518407898311768 0.000000000000000 0.000000000000000 b 0.000000000000000 14.399664780000000 0.000000000000000 c -4.296364961371236 0.000000000000000 13.806567421869280 Atomic positions (fractional): *1 P 0.79816941376304 0.12082011284970 0.37729143592147 30.974 > 1 2 P 0.79816941376304 0.62082011284970 0.37729143592147 30.974 > 1 3 P 0.20183058623696 0.12082011284970 0.62270856407853 30.974 > 2 4 P 0.20183058623696 0.62082011284970 0.62270856407853 30.974 > 2 5 P 0.20183058623696 0.37917988715030 0.62270856407853 30.974 > 3 6 P 0.20183058623696 0.87917988715030 0.62270856407853 30.974 > 3 7 P 0.79816941376304 0.37917988715030 0.37729143592147 30.974 > 4 8 P 0.79816941376304 0.87917988715030 0.37729143592147 30.974 > 4 *9 P 0.79417914576114 0.11817814478426 0.22262128917619 30.974 > 5 10 P 0.79417914576114 0.61817814478426 0.22262128917619 30.974 > 5 11 P 0.20582085423886 0.11817814478426 0.77737871082381 30.974 > 6 12 P 0.20582085423886 0.61817814478426 0.77737871082381 30.974 > 6 13 P 0.20582085423886 0.38182185521574 0.77737871082381 30.974 > 7 14 P 0.20582085423886 0.88182185521574 0.77737871082381 30.974 > 7 15 P 0.79417914576114 0.38182185521574 0.22262128917619 30.974 > 8 16 P 0.79417914576114 0.88182185521574 0.22262128917619 30.974 > 8 *17 P 0.72290918924019 0.25000000000000 0.40833024417577 30.974 > 9 18 P 0.72290918924019 0.75000000000000 0.40833024417577 30.974 > 9 19 P 0.27709081075981 0.25000000000000 0.59166975582423 30.974 > 10 20 P 0.27709081075981 0.75000000000000 0.59166975582423 30.974 > 10 *21 P 0.10358178763449 0.00000000000000 0.79713997834767 30.974 > 11 22 P 0.10358178763449 0.50000000000000 0.79713997834767 30.974 > 11 23 P 0.89641821236551 0.00000000000000 0.20286002165233 30.974 > 12 24 P 0.89641821236551 0.50000000000000 0.20286002165233 30.974 > 12 *25 P 0.84542404277438 0.25000000000000 0.04316216905821 30.974 > 13 26 P 0.84542404277438 0.75000000000000 0.04316216905821 30.974 > 13 27 P 0.15457595722562 0.25000000000000 0.95683783094179 30.974 > 14 28 P 0.15457595722562 0.75000000000000 0.95683783094179 30.974 > 14 *29 P 0.97165488384178 0.25000000000000 0.64696336227384 30.974 > 15 30 P 0.97165488384178 0.75000000000000 0.64696336227384 30.974 > 15 31 P 0.02834511615822 0.25000000000000 0.35303663772616 30.974 > 16 32 P 0.02834511615822 0.75000000000000 0.35303663772616 30.974 > 16 *33 P 0.59271138151070 0.38149802387543 0.01947410237120 30.974 > 17 34 P 0.59271138151070 0.88149802387543 0.01947410237120 30.974 > 17 35 P 0.40728861848930 0.38149802387543 0.98052589762880 30.974 > 18 36 P 0.40728861848930 0.88149802387543 0.98052589762880 30.974 > 18 37 P 0.40728861848930 0.11850197612457 0.98052589762880 30.974 > 19 38 P 0.40728861848930 0.61850197612457 0.98052589762880 30.974 > 19 39 P 0.59271138151070 0.11850197612457 0.01947410237120 30.974 > 20 40 P 0.59271138151070 0.61850197612457 0.01947410237120 30.974 > 20 *41 P 0.98167009933090 0.37367661342281 0.42107518420357 30.974 > 21 42 P 0.98167009933090 0.87367661342281 0.42107518420357 30.974 > 21 43 P 0.01832990066910 0.37367661342281 0.57892481579643 30.974 > 22 44 P 0.01832990066910 0.87367661342281 0.57892481579643 30.974 > 22 45 P 0.01832990066910 0.12632338657719 0.57892481579643 30.974 > 23 46 P 0.01832990066910 0.62632338657719 0.57892481579643 30.974 > 23 47 P 0.98167009933090 0.12632338657719 0.42107518420357 30.974 > 24 48 P 0.98167009933090 0.62632338657719 0.42107518420357 30.974 > 24 *49 P 0.61638868723963 0.42076270183236 0.17209251259975 30.974 > 25 50 P 0.61638868723963 0.92076270183236 0.17209251259975 30.974 > 25 51 P 0.38361131276037 0.42076270183236 0.82790748740025 30.974 > 26 52 P 0.38361131276037 0.92076270183236 0.82790748740025 30.974 > 26 53 P 0.38361131276037 0.07923729816764 0.82790748740025 30.974 > 27 54 P 0.38361131276037 0.57923729816764 0.82790748740025 30.974 > 27 55 P 0.61638868723963 0.07923729816764 0.17209251259975 30.974 > 28 56 P 0.61638868723963 0.57923729816764 0.17209251259975 30.974 > 28 57 P 0.29816941376304 0.37082011284970 0.37729143592147 30.974 > 1 58 P 0.29816941376304 0.87082011284970 0.37729143592147 30.974 > 1 59 P 0.70183058623696 0.37082011284970 0.62270856407853 30.974 > 2 60 P 0.70183058623696 0.87082011284970 0.62270856407853 30.974 > 2 61 P 0.70183058623696 0.12917988715030 0.62270856407853 30.974 > 3 62 P 0.70183058623696 0.62917988715030 0.62270856407853 30.974 > 3 63 P 0.29816941376304 0.12917988715030 0.37729143592147 30.974 > 4 64 P 0.29816941376304 0.62917988715030 0.37729143592147 30.974 > 4 65 P 0.29417914576114 0.36817814478426 0.22262128917619 30.974 > 5 66 P 0.29417914576114 0.86817814478426 0.22262128917619 30.974 > 5 67 P 0.70582085423886 0.36817814478426 0.77737871082381 30.974 > 6 68 P 0.70582085423886 0.86817814478426 0.77737871082381 30.974 > 6 69 P 0.70582085423886 0.13182185521574 0.77737871082381 30.974 > 7 70 P 0.70582085423886 0.63182185521574 0.77737871082381 30.974 > 7 71 P 0.29417914576114 0.13182185521574 0.22262128917619 30.974 > 8 72 P 0.29417914576114 0.63182185521574 0.22262128917619 30.974 > 8 73 P 0.22290918924019 0.00000000000000 0.40833024417577 30.974 > 9 74 P 0.22290918924019 0.50000000000000 0.40833024417577 30.974 > 9 75 P 0.77709081075981 0.00000000000000 0.59166975582423 30.974 > 10 76 P 0.77709081075981 0.50000000000000 0.59166975582423 30.974 > 10 77 P 0.60358178763449 0.25000000000000 0.79713997834767 30.974 > 11 78 P 0.60358178763449 0.75000000000000 0.79713997834767 30.974 > 11 79 P 0.39641821236551 0.25000000000000 0.20286002165233 30.974 > 12 80 P 0.39641821236551 0.75000000000000 0.20286002165233 30.974 > 12 81 P 0.34542404277438 0.00000000000000 0.04316216905821 30.974 > 13 82 P 0.34542404277438 0.50000000000000 0.04316216905821 30.974 > 13 83 P 0.65457595722562 0.00000000000000 0.95683783094179 30.974 > 14 84 P 0.65457595722562 0.50000000000000 0.95683783094179 30.974 > 14 85 P 0.47165488384178 0.00000000000000 0.64696336227384 30.974 > 15 86 P 0.47165488384178 0.50000000000000 0.64696336227384 30.974 > 15 87 P 0.52834511615822 0.00000000000000 0.35303663772616 30.974 > 16 88 P 0.52834511615822 0.50000000000000 0.35303663772616 30.974 > 16 89 P 0.09271138151070 0.13149802387543 0.01947410237120 30.974 > 17 90 P 0.09271138151070 0.63149802387543 0.01947410237120 30.974 > 17 91 P 0.90728861848930 0.13149802387543 0.98052589762880 30.974 > 18 92 P 0.90728861848930 0.63149802387543 0.98052589762880 30.974 > 18 93 P 0.90728861848930 0.36850197612457 0.98052589762880 30.974 > 19 94 P 0.90728861848930 0.86850197612457 0.98052589762880 30.974 > 19 95 P 0.09271138151070 0.36850197612457 0.01947410237120 30.974 > 20 96 P 0.09271138151070 0.86850197612457 0.01947410237120 30.974 > 20 97 P 0.48167009933090 0.12367661342281 0.42107518420357 30.974 > 21 98 P 0.48167009933090 0.62367661342281 0.42107518420357 30.974 > 21 99 P 0.51832990066910 0.12367661342281 0.57892481579643 30.974 > 22 100 P 0.51832990066910 0.62367661342281 0.57892481579643 30.974 > 22 101 P 0.51832990066910 0.37632338657719 0.57892481579643 30.974 > 23 102 P 0.51832990066910 0.87632338657719 0.57892481579643 30.974 > 23 103 P 0.48167009933090 0.37632338657719 0.42107518420357 30.974 > 24 104 P 0.48167009933090 0.87632338657719 0.42107518420357 30.974 > 24 105 P 0.11638868723963 0.17076270183236 0.17209251259975 30.974 > 25 106 P 0.11638868723963 0.67076270183236 0.17209251259975 30.974 > 25 107 P 0.88361131276037 0.17076270183236 0.82790748740025 30.974 > 26 108 P 0.88361131276037 0.67076270183236 0.82790748740025 30.974 > 26 109 P 0.88361131276037 0.32923729816764 0.82790748740025 30.974 > 27 110 P 0.88361131276037 0.82923729816764 0.82790748740025 30.974 > 27 111 P 0.11638868723963 0.32923729816764 0.17209251259975 30.974 > 28 112 P 0.11638868723963 0.82923729816764 0.17209251259975 30.974 > 28 *113 Cu 0.71753615215438 0.00000000000000 0.42587462911760 63.546 > 29 114 Cu 0.71753615215438 0.50000000000000 0.42587462911760 63.546 > 29 115 Cu 0.28246384784562 0.00000000000000 0.57412537088240 63.546 > 30 116 Cu 0.28246384784562 0.50000000000000 0.57412537088240 63.546 > 30 *117 Cu 0.11559483738765 0.25000000000000 0.79446154508658 63.546 > 31 118 Cu 0.11559483738765 0.75000000000000 0.79446154508658 63.546 > 31 119 Cu 0.88440516261235 0.25000000000000 0.20553845491342 63.546 > 32 120 Cu 0.88440516261235 0.75000000000000 0.20553845491342 63.546 > 32 *121 Cu 0.84408297457402 0.00000000000000 0.03300870611510 63.546 > 33 122 Cu 0.84408297457402 0.50000000000000 0.03300870611510 63.546 > 33 123 Cu 0.15591702542598 0.00000000000000 0.96699129388491 63.546 > 34 124 Cu 0.15591702542598 0.50000000000000 0.96699129388491 63.546 > 34 *125 Cu 0.96621977513082 0.00000000000000 0.64696126844516 63.546 > 35 126 Cu 0.96621977513082 0.50000000000000 0.64696126844516 63.546 > 35 127 Cu 0.03378022486918 0.00000000000000 0.35303873155484 63.546 > 36 128 Cu 0.03378022486918 0.50000000000000 0.35303873155484 63.546 > 36 129 Cu 0.21753615215438 0.25000000000000 0.42587462911760 63.546 > 29 130 Cu 0.21753615215438 0.75000000000000 0.42587462911760 63.546 > 29 131 Cu 0.78246384784562 0.25000000000000 0.57412537088240 63.546 > 30 132 Cu 0.78246384784562 0.75000000000000 0.57412537088240 63.546 > 30 133 Cu 0.61559483738765 0.00000000000000 0.79446154508658 63.546 > 31 134 Cu 0.61559483738765 0.50000000000000 0.79446154508658 63.546 > 31 135 Cu 0.38440516261235 0.00000000000000 0.20553845491342 63.546 > 32 136 Cu 0.38440516261235 0.50000000000000 0.20553845491342 63.546 > 32 137 Cu 0.34408297457402 0.25000000000000 0.03300870611510 63.546 > 33 138 Cu 0.34408297457402 0.75000000000000 0.03300870611510 63.546 > 33 139 Cu 0.65591702542598 0.25000000000000 0.96699129388491 63.546 > 34 140 Cu 0.65591702542598 0.75000000000000 0.96699129388491 63.546 > 34 141 Cu 0.46621977513082 0.25000000000000 0.64696126844516 63.546 > 35 142 Cu 0.46621977513082 0.75000000000000 0.64696126844516 63.546 > 35 143 Cu 0.53378022486918 0.25000000000000 0.35303873155484 63.546 > 36 144 Cu 0.53378022486918 0.75000000000000 0.35303873155484 63.546 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 15.6677896 0.0000000 0.2189613 0.0000000 15.9583747 0.0000000 0.2190383 0.0000000 14.7737595 -------------------------- Born effective charges -------------------------- 1 P 0.2893471 0.0957510 -0.1351671 0.0489644 0.2678804 0.0712097 -0.3022838 0.5326698 0.3791852 2 P 0.2893471 -0.0957510 -0.1351671 -0.0489644 0.2678804 -0.0712097 -0.3022838 -0.5326698 0.3791852 3 P 0.2893471 0.0957510 -0.1351671 0.0489644 0.2678804 0.0712097 -0.3022838 0.5326698 0.3791852 4 P 0.2893471 -0.0957510 -0.1351671 -0.0489644 0.2678804 -0.0712097 -0.3022838 -0.5326698 0.3791852 5 P -0.3479593 0.3180551 -0.0253980 0.1981885 0.8836652 0.2937432 0.2339533 0.1488876 -0.0008812 6 P -0.3479593 -0.3180551 -0.0253980 -0.1981885 0.8836652 -0.2937432 0.2339533 -0.1488876 -0.0008812 7 P -0.3479593 0.3180551 -0.0253980 0.1981885 0.8836652 0.2937432 0.2339533 0.1488876 -0.0008812 8 P -0.3479593 -0.3180551 -0.0253980 -0.1981885 0.8836652 -0.2937432 0.2339533 -0.1488876 -0.0008812 9 P 0.3763281 0.0000000 -0.2179092 0.0000000 0.0027771 0.0000000 -0.1780417 0.0000000 -0.5802426 10 P 0.3763281 0.0000000 -0.2179092 0.0000000 0.0027771 0.0000000 -0.1780417 0.0000000 -0.5802426 11 P -0.3742022 0.0000000 -0.2676952 0.0000000 -0.4923354 0.0000000 0.0220878 0.0000000 -0.5005010 12 P -0.3742022 0.0000000 -0.2676952 0.0000000 -0.4923354 0.0000000 0.0220878 0.0000000 -0.5005010 13 P -0.9746441 0.0000000 -0.7968776 0.0000000 -0.7079891 0.0000000 -0.5814661 0.0000000 -0.2005791 14 P -0.9746441 0.0000000 -0.7968776 0.0000000 -0.7079891 0.0000000 -0.5814661 0.0000000 -0.2005791 15 P -0.0366351 0.0000000 -0.1795462 0.0000000 -0.6726069 0.0000000 -0.6505958 0.0000000 -0.3908731 16 P -0.0366351 0.0000000 -0.1795462 0.0000000 -0.6726069 0.0000000 -0.6505958 0.0000000 -0.3908731 17 P 0.4076456 -0.3475968 0.4554086 -0.2008337 0.6059180 0.2654817 0.0824579 0.2950522 0.1925032 18 P 0.4076456 0.3475968 0.4554086 0.2008337 0.6059180 -0.2654817 0.0824579 -0.2950522 0.1925032 19 P 0.4076456 -0.3475968 0.4554086 -0.2008337 0.6059180 0.2654817 0.0824579 0.2950522 0.1925032 20 P 0.4076456 0.3475968 0.4554086 0.2008337 0.6059180 -0.2654817 0.0824579 -0.2950522 0.1925032 21 P -0.0616235 -0.0677284 0.2254753 -0.3155193 0.4585924 0.4161328 0.2758167 0.0388171 0.4046098 22 P -0.0616235 0.0677284 0.2254753 0.3155193 0.4585924 -0.4161328 0.2758167 -0.0388171 0.4046098 23 P -0.0616235 -0.0677284 0.2254753 -0.3155193 0.4585924 0.4161328 0.2758167 0.0388171 0.4046098 24 P -0.0616235 0.0677284 0.2254753 0.3155193 0.4585924 -0.4161328 0.2758167 -0.0388171 0.4046098 25 P 0.5791515 -0.3064696 -0.1781693 -0.7786004 -0.6469768 0.1634833 0.1347393 -0.3328451 -0.0339504 26 P 0.5791515 0.3064696 -0.1781693 0.7786004 -0.6469768 -0.1634833 0.1347393 0.3328451 -0.0339504 27 P 0.5791515 -0.3064696 -0.1781693 -0.7786004 -0.6469768 0.1634833 0.1347393 -0.3328451 -0.0339504 28 P 0.5791515 0.3064696 -0.1781693 0.7786004 -0.6469768 -0.1634833 0.1347393 0.3328451 -0.0339504 29 Cu -0.4212504 0.0000000 0.2461142 0.0000000 -0.7370694 0.0000000 0.2073110 0.0000000 -0.3904865 30 Cu -0.4212504 0.0000000 0.2461142 0.0000000 -0.7370694 0.0000000 0.2073110 0.0000000 -0.3904865 31 Cu -0.0434199 0.0000000 0.4183199 0.0000000 -0.0577288 0.0000000 0.0573476 0.0000000 -0.1072036 32 Cu -0.0434199 0.0000000 0.4183199 0.0000000 -0.0577288 0.0000000 0.0573476 0.0000000 -0.1072036 33 Cu -0.1837538 0.0000000 0.0338411 0.0000000 -0.2983075 0.0000000 0.1311366 0.0000000 0.2091268 34 Cu -0.1837538 0.0000000 0.0338411 0.0000000 -0.2983075 0.0000000 0.1311366 0.0000000 0.2091268 35 Cu -0.0755452 0.0000000 0.0794541 0.0000000 -0.1748987 0.0000000 0.1428539 0.0000000 0.0778258 36 Cu -0.0755452 0.0000000 0.0794541 0.0000000 -0.1748987 0.0000000 0.1428539 0.0000000 0.0778258 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 31068/31068 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6058 Number of blocks in projector: 6058 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1424 Use submatrix version of eigh solver. (1) Block: 500 / 1424 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1000 / 1424 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1424 / 1424 (1) 405 eigenvectors found. (1) Complementary block size: 67 (1) Compute compressed projector. (1) Use standard solver. (1) 42 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1168 Use submatrix version of eigh solver. (1) Block: 500 / 1168 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 1000 / 1168 (2) Block: 250 / 500 (2) 244 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 1168 / 1168 (1) 162 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1168 Use submatrix version of eigh solver. (1) Block: 500 / 1168 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 1000 / 1168 (2) Block: 250 / 500 (2) 244 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 1168 / 1168 (1) 162 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 766 Use submatrix version of eigh solver. (1) Block: 500 / 766 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 766 / 766 (1) 253 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 766 Use submatrix version of eigh solver. (1) Block: 500 / 766 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 766 / 766 (1) 253 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 766 Use submatrix version of eigh solver. (1) Block: 500 / 766 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 766 / 766 (1) 253 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. Tree of FC basis block matrices: - (6058, 5974), data: False |-- (766, 753), data: False |-- (766, 13), data: (766, 26) @ (26, 13) |-- (266, 253), data: True |-- (500, 487), data: False |-- (500, 12), data: (500, 25) @ (25, 12) |-- (250, 238), data: True |-- (250, 237), data: True |-- (766, 753), data: False |-- (766, 13), data: (766, 26) @ (26, 13) |-- (266, 253), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (766, 753), data: False |-- (766, 13), data: (766, 26) @ (26, 13) |-- (266, 253), data: True |-- (500, 487), data: False |-- (500, 12), data: (500, 25) @ (25, 12) |-- (250, 238), data: True |-- (250, 237), data: True |-- (1168, 1158), data: False |-- (1168, 16), data: (1168, 26) @ (26, 16) |-- (168, 162), data: True |-- (500, 490), data: False |-- (500, 6), data: (500, 16) @ (16, 6) |-- (250, 240), data: True |-- (250, 244), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True |-- (1168, 1158), data: False |-- (1168, 16), data: (1168, 26) @ (26, 16) |-- (168, 162), data: True |-- (500, 490), data: False |-- (500, 6), data: (500, 16) @ (16, 6) |-- (250, 240), data: True |-- (250, 244), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True |-- (1424, 1399), data: False |-- (1424, 42), data: (1424, 67) @ (67, 42) |-- (424, 405), data: True |-- (500, 477), data: False |-- (500, 15), data: (500, 38) @ (38, 15) |-- (250, 235), data: True |-- (250, 227), data: True |-- (500, 475), data: False |-- (500, 25), data: (500, 50) @ (50, 25) |-- (250, 225), data: True |-- (250, 225), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 100 / 1120 - Time: 2.169 Solver_block: 200 / 1120 - Time: 2.044 Solver_block: 300 / 1120 - Time: 2.045 Solver_block: 400 / 1120 - Time: 2.047 Solver_block: 500 / 1120 - Time: 2.049 Solver_block: 600 / 1120 - Time: 2.046 Solver_block: 700 / 1120 - Time: 2.050 Solver_block: 800 / 1120 - Time: 2.050 Solver_block: 900 / 1120 - Time: 2.049 Solver_block: 1000 / 1120 - Time: 2.047 Solver_block: 1100 / 1120 - Time: 2.046 Solver_block: 1120 / 1120 - Time: 0.566 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 23.873 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 31068/31068 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6058 Number of blocks in projector: 6058 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1424 Use submatrix version of eigh solver. (1) Block: 500 / 1424 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1000 / 1424 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1424 / 1424 (1) 405 eigenvectors found. (1) Complementary block size: 67 (1) Compute compressed projector. (1) Use standard solver. (1) 42 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1168 Use submatrix version of eigh solver. (1) Block: 500 / 1168 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 1000 / 1168 (2) Block: 250 / 500 (2) 244 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 1168 / 1168 (1) 162 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1168 Use submatrix version of eigh solver. (1) Block: 500 / 1168 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 1000 / 1168 (2) Block: 250 / 500 (2) 244 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 1168 / 1168 (1) 162 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 766 Use submatrix version of eigh solver. (1) Block: 500 / 766 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 766 / 766 (1) 253 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 766 Use submatrix version of eigh solver. (1) Block: 500 / 766 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 766 / 766 (1) 253 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 766 Use submatrix version of eigh solver. (1) Block: 500 / 766 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 766 / 766 (1) 253 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. Tree of FC basis block matrices: - (6058, 5974), data: False |-- (766, 753), data: False |-- (766, 13), data: (766, 26) @ (26, 13) |-- (266, 253), data: True |-- (500, 487), data: False |-- (500, 12), data: (500, 25) @ (25, 12) |-- (250, 238), data: True |-- (250, 237), data: True |-- (766, 753), data: False |-- (766, 13), data: (766, 26) @ (26, 13) |-- (266, 253), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (766, 753), data: False |-- (766, 13), data: (766, 26) @ (26, 13) |-- (266, 253), data: True |-- (500, 487), data: False |-- (500, 12), data: (500, 25) @ (25, 12) |-- (250, 238), data: True |-- (250, 237), data: True |-- (1168, 1158), data: False |-- (1168, 16), data: (1168, 26) @ (26, 16) |-- (168, 162), data: True |-- (500, 490), data: False |-- (500, 6), data: (500, 16) @ (16, 6) |-- (250, 240), data: True |-- (250, 244), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True |-- (1168, 1158), data: False |-- (1168, 16), data: (1168, 26) @ (26, 16) |-- (168, 162), data: True |-- (500, 490), data: False |-- (500, 6), data: (500, 16) @ (16, 6) |-- (250, 240), data: True |-- (250, 244), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True |-- (1424, 1399), data: False |-- (1424, 42), data: (1424, 67) @ (67, 42) |-- (424, 405), data: True |-- (500, 477), data: False |-- (500, 15), data: (500, 38) @ (38, 15) |-- (250, 235), data: True |-- (250, 227), data: True |-- (500, 475), data: False |-- (500, 25), data: (500, 50) @ (50, 25) |-- (250, 225), data: True |-- (250, 225), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) 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 06:45:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:45:07]------------------------- Compiled with OpenMP support (max 32 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.259203949155884 -3.599916195000000 0.000000000000000 b 6.259203949155884 3.599916195000000 0.000000000000000 c -4.296364961371236 0.000000000000000 13.806567421869280 Atomic positions (fractional): 1 P 0.55652918806364 0.03980963946244 0.37729143592147 30.974 2 P 0.96019036053756 0.44347081193636 0.62270856407853 30.974 3 P 0.44347081193636 0.96019036053756 0.62270856407853 30.974 4 P 0.03980963946244 0.55652918806364 0.37729143592147 30.974 5 P 0.55782285619262 0.03053543532965 0.22262128917619 30.974 6 P 0.96946456467035 0.44217714380738 0.77737871082381 30.974 7 P 0.44217714380738 0.96946456467035 0.77737871082381 30.974 8 P 0.03053543532965 0.55782285619262 0.22262128917619 30.974 9 P 0.22290918924019 0.22290918924019 0.40833024417577 30.974 10 P 0.77709081075981 0.77709081075981 0.59166975582423 30.974 11 P 0.10358178763449 0.10358178763449 0.79713997834767 30.974 12 P 0.89641821236551 0.89641821236551 0.20286002165233 30.974 13 P 0.34542404277438 0.34542404277438 0.04316216905821 30.974 14 P 0.65457595722562 0.65457595722562 0.95683783094179 30.974 15 P 0.47165488384178 0.47165488384178 0.64696336227384 30.974 16 P 0.52834511615822 0.52834511615822 0.35303663772616 30.974 17 P 0.82971533375983 0.35570742926156 0.01947410237120 30.974 18 P 0.64429257073844 0.17028466624017 0.98052589762880 30.974 19 P 0.17028466624017 0.64429257073844 0.98052589762880 30.974 20 P 0.35570742926156 0.82971533375983 0.01947410237120 30.974 21 P 0.23431687248529 0.72902332617651 0.42107518420357 30.974 22 P 0.27097667382349 0.76568312751471 0.57892481579643 30.974 23 P 0.76568312751471 0.27097667382349 0.57892481579643 30.974 24 P 0.72902332617651 0.23431687248529 0.42107518420357 30.974 25 P 0.77486328357491 0.45791409090435 0.17209251259975 30.974 26 P 0.54208590909565 0.22513671642510 0.82790748740025 30.974 27 P 0.22513671642510 0.54208590909565 0.82790748740025 30.974 28 P 0.45791409090435 0.77486328357490 0.17209251259975 30.974 29 Cu 0.71753615215438 0.71753615215438 0.42587462911760 63.546 30 Cu 0.28246384784562 0.28246384784562 0.57412537088240 63.546 31 Cu 0.61559483738765 0.61559483738765 0.79446154508658 63.546 32 Cu 0.38440516261235 0.38440516261235 0.20553845491342 63.546 33 Cu 0.84408297457402 0.84408297457402 0.03300870611510 63.546 34 Cu 0.15591702542598 0.15591702542598 0.96699129388491 63.546 35 Cu 0.96621977513082 0.96621977513082 0.64696126844516 63.546 36 Cu 0.03378022486918 0.03378022486918 0.35303873155484 63.546 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.518407898311768 0.000000000000000 0.000000000000000 b 0.000000000000000 14.399664780000000 0.000000000000000 c -4.296364961371236 0.000000000000000 13.806567421869280 Atomic positions (fractional): 1 P 0.79816941376304 0.12082011284970 0.37729143592147 30.974 > 1 2 P 0.79816941376304 0.62082011284970 0.37729143592147 30.974 > 1 3 P 0.20183058623696 0.12082011284970 0.62270856407853 30.974 > 3 4 P 0.20183058623696 0.62082011284970 0.62270856407853 30.974 > 3 5 P 0.20183058623696 0.37917988715030 0.62270856407853 30.974 > 5 6 P 0.20183058623696 0.87917988715030 0.62270856407853 30.974 > 5 7 P 0.79816941376304 0.37917988715030 0.37729143592147 30.974 > 7 8 P 0.79816941376304 0.87917988715030 0.37729143592147 30.974 > 7 9 P 0.79417914576114 0.11817814478426 0.22262128917619 30.974 > 9 10 P 0.79417914576114 0.61817814478426 0.22262128917619 30.974 > 9 11 P 0.20582085423886 0.11817814478426 0.77737871082381 30.974 > 11 12 P 0.20582085423886 0.61817814478426 0.77737871082381 30.974 > 11 13 P 0.20582085423886 0.38182185521574 0.77737871082381 30.974 > 13 14 P 0.20582085423886 0.88182185521574 0.77737871082381 30.974 > 13 15 P 0.79417914576114 0.38182185521574 0.22262128917619 30.974 > 15 16 P 0.79417914576114 0.88182185521574 0.22262128917619 30.974 > 15 17 P 0.72290918924019 0.25000000000000 0.40833024417577 30.974 > 17 18 P 0.72290918924019 0.75000000000000 0.40833024417577 30.974 > 17 19 P 0.27709081075981 0.25000000000000 0.59166975582423 30.974 > 19 20 P 0.27709081075981 0.75000000000000 0.59166975582423 30.974 > 19 21 P 0.10358178763449 0.00000000000000 0.79713997834767 30.974 > 21 22 P 0.10358178763449 0.50000000000000 0.79713997834767 30.974 > 21 23 P 0.89641821236551 0.00000000000000 0.20286002165233 30.974 > 23 24 P 0.89641821236551 0.50000000000000 0.20286002165233 30.974 > 23 25 P 0.84542404277438 0.25000000000000 0.04316216905821 30.974 > 25 26 P 0.84542404277438 0.75000000000000 0.04316216905821 30.974 > 25 27 P 0.15457595722562 0.25000000000000 0.95683783094179 30.974 > 27 28 P 0.15457595722562 0.75000000000000 0.95683783094179 30.974 > 27 29 P 0.97165488384178 0.25000000000000 0.64696336227384 30.974 > 29 30 P 0.97165488384178 0.75000000000000 0.64696336227384 30.974 > 29 31 P 0.02834511615822 0.25000000000000 0.35303663772616 30.974 > 31 32 P 0.02834511615822 0.75000000000000 0.35303663772616 30.974 > 31 33 P 0.59271138151070 0.38149802387543 0.01947410237120 30.974 > 33 34 P 0.59271138151070 0.88149802387543 0.01947410237120 30.974 > 33 35 P 0.40728861848930 0.38149802387543 0.98052589762880 30.974 > 35 36 P 0.40728861848930 0.88149802387543 0.98052589762880 30.974 > 35 37 P 0.40728861848930 0.11850197612457 0.98052589762880 30.974 > 37 38 P 0.40728861848930 0.61850197612457 0.98052589762880 30.974 > 37 39 P 0.59271138151070 0.11850197612457 0.01947410237120 30.974 > 39 40 P 0.59271138151070 0.61850197612457 0.01947410237120 30.974 > 39 41 P 0.98167009933090 0.37367661342281 0.42107518420357 30.974 > 41 42 P 0.98167009933090 0.87367661342281 0.42107518420357 30.974 > 41 43 P 0.01832990066910 0.37367661342281 0.57892481579643 30.974 > 43 44 P 0.01832990066910 0.87367661342281 0.57892481579643 30.974 > 43 45 P 0.01832990066910 0.12632338657719 0.57892481579643 30.974 > 45 46 P 0.01832990066910 0.62632338657719 0.57892481579643 30.974 > 45 47 P 0.98167009933090 0.12632338657719 0.42107518420357 30.974 > 47 48 P 0.98167009933090 0.62632338657719 0.42107518420357 30.974 > 47 49 P 0.61638868723963 0.42076270183236 0.17209251259975 30.974 > 49 50 P 0.61638868723963 0.92076270183236 0.17209251259975 30.974 > 49 51 P 0.38361131276037 0.42076270183236 0.82790748740025 30.974 > 51 52 P 0.38361131276037 0.92076270183236 0.82790748740025 30.974 > 51 53 P 0.38361131276037 0.07923729816764 0.82790748740025 30.974 > 53 54 P 0.38361131276037 0.57923729816764 0.82790748740025 30.974 > 53 55 P 0.61638868723963 0.07923729816764 0.17209251259975 30.974 > 55 56 P 0.61638868723963 0.57923729816764 0.17209251259975 30.974 > 55 57 P 0.29816941376304 0.37082011284970 0.37729143592147 30.974 > 1 58 P 0.29816941376304 0.87082011284970 0.37729143592147 30.974 > 1 59 P 0.70183058623696 0.37082011284970 0.62270856407853 30.974 > 3 60 P 0.70183058623696 0.87082011284970 0.62270856407853 30.974 > 3 61 P 0.70183058623696 0.12917988715030 0.62270856407853 30.974 > 5 62 P 0.70183058623696 0.62917988715030 0.62270856407853 30.974 > 5 63 P 0.29816941376304 0.12917988715030 0.37729143592147 30.974 > 7 64 P 0.29816941376304 0.62917988715030 0.37729143592147 30.974 > 7 65 P 0.29417914576114 0.36817814478426 0.22262128917619 30.974 > 9 66 P 0.29417914576114 0.86817814478426 0.22262128917619 30.974 > 9 67 P 0.70582085423886 0.36817814478426 0.77737871082381 30.974 > 11 68 P 0.70582085423886 0.86817814478426 0.77737871082381 30.974 > 11 69 P 0.70582085423886 0.13182185521574 0.77737871082381 30.974 > 13 70 P 0.70582085423886 0.63182185521574 0.77737871082381 30.974 > 13 71 P 0.29417914576114 0.13182185521574 0.22262128917619 30.974 > 15 72 P 0.29417914576114 0.63182185521574 0.22262128917619 30.974 > 15 73 P 0.22290918924019 0.00000000000000 0.40833024417577 30.974 > 17 74 P 0.22290918924019 0.50000000000000 0.40833024417577 30.974 > 17 75 P 0.77709081075981 0.00000000000000 0.59166975582423 30.974 > 19 76 P 0.77709081075981 0.50000000000000 0.59166975582423 30.974 > 19 77 P 0.60358178763449 0.25000000000000 0.79713997834767 30.974 > 21 78 P 0.60358178763449 0.75000000000000 0.79713997834767 30.974 > 21 79 P 0.39641821236551 0.25000000000000 0.20286002165233 30.974 > 23 80 P 0.39641821236551 0.75000000000000 0.20286002165233 30.974 > 23 81 P 0.34542404277438 0.00000000000000 0.04316216905821 30.974 > 25 82 P 0.34542404277438 0.50000000000000 0.04316216905821 30.974 > 25 83 P 0.65457595722562 0.00000000000000 0.95683783094179 30.974 > 27 84 P 0.65457595722562 0.50000000000000 0.95683783094179 30.974 > 27 85 P 0.47165488384178 0.00000000000000 0.64696336227384 30.974 > 29 86 P 0.47165488384178 0.50000000000000 0.64696336227384 30.974 > 29 87 P 0.52834511615822 0.00000000000000 0.35303663772616 30.974 > 31 88 P 0.52834511615822 0.50000000000000 0.35303663772616 30.974 > 31 89 P 0.09271138151070 0.13149802387543 0.01947410237120 30.974 > 33 90 P 0.09271138151070 0.63149802387543 0.01947410237120 30.974 > 33 91 P 0.90728861848930 0.13149802387543 0.98052589762880 30.974 > 35 92 P 0.90728861848930 0.63149802387543 0.98052589762880 30.974 > 35 93 P 0.90728861848930 0.36850197612457 0.98052589762880 30.974 > 37 94 P 0.90728861848930 0.86850197612457 0.98052589762880 30.974 > 37 95 P 0.09271138151070 0.36850197612457 0.01947410237120 30.974 > 39 96 P 0.09271138151070 0.86850197612457 0.01947410237120 30.974 > 39 97 P 0.48167009933090 0.12367661342281 0.42107518420357 30.974 > 41 98 P 0.48167009933090 0.62367661342281 0.42107518420357 30.974 > 41 99 P 0.51832990066910 0.12367661342281 0.57892481579643 30.974 > 43 100 P 0.51832990066910 0.62367661342281 0.57892481579643 30.974 > 43 101 P 0.51832990066910 0.37632338657719 0.57892481579643 30.974 > 45 102 P 0.51832990066910 0.87632338657719 0.57892481579643 30.974 > 45 103 P 0.48167009933090 0.37632338657719 0.42107518420357 30.974 > 47 104 P 0.48167009933090 0.87632338657719 0.42107518420357 30.974 > 47 105 P 0.11638868723963 0.17076270183236 0.17209251259975 30.974 > 49 106 P 0.11638868723963 0.67076270183236 0.17209251259975 30.974 > 49 107 P 0.88361131276037 0.17076270183236 0.82790748740025 30.974 > 51 108 P 0.88361131276037 0.67076270183236 0.82790748740025 30.974 > 51 109 P 0.88361131276037 0.32923729816764 0.82790748740025 30.974 > 53 110 P 0.88361131276037 0.82923729816764 0.82790748740025 30.974 > 53 111 P 0.11638868723963 0.32923729816764 0.17209251259975 30.974 > 55 112 P 0.11638868723963 0.82923729816764 0.17209251259975 30.974 > 55 113 Cu 0.71753615215438 0.00000000000000 0.42587462911760 63.546 > 113 114 Cu 0.71753615215438 0.50000000000000 0.42587462911760 63.546 > 113 115 Cu 0.28246384784562 0.00000000000000 0.57412537088240 63.546 > 115 116 Cu 0.28246384784562 0.50000000000000 0.57412537088240 63.546 > 115 117 Cu 0.11559483738765 0.25000000000000 0.79446154508658 63.546 > 117 118 Cu 0.11559483738765 0.75000000000000 0.79446154508658 63.546 > 117 119 Cu 0.88440516261235 0.25000000000000 0.20553845491342 63.546 > 119 120 Cu 0.88440516261235 0.75000000000000 0.20553845491342 63.546 > 119 121 Cu 0.84408297457402 0.00000000000000 0.03300870611510 63.546 > 121 122 Cu 0.84408297457402 0.50000000000000 0.03300870611510 63.546 > 121 123 Cu 0.15591702542598 0.00000000000000 0.96699129388491 63.546 > 123 124 Cu 0.15591702542598 0.50000000000000 0.96699129388491 63.546 > 123 125 Cu 0.96621977513082 0.00000000000000 0.64696126844516 63.546 > 125 126 Cu 0.96621977513082 0.50000000000000 0.64696126844516 63.546 > 125 127 Cu 0.03378022486918 0.00000000000000 0.35303873155484 63.546 > 127 128 Cu 0.03378022486918 0.50000000000000 0.35303873155484 63.546 > 127 129 Cu 0.21753615215438 0.25000000000000 0.42587462911760 63.546 > 113 130 Cu 0.21753615215438 0.75000000000000 0.42587462911760 63.546 > 113 131 Cu 0.78246384784562 0.25000000000000 0.57412537088240 63.546 > 115 132 Cu 0.78246384784562 0.75000000000000 0.57412537088240 63.546 > 115 133 Cu 0.61559483738765 0.00000000000000 0.79446154508658 63.546 > 117 134 Cu 0.61559483738765 0.50000000000000 0.79446154508658 63.546 > 117 135 Cu 0.38440516261235 0.00000000000000 0.20553845491342 63.546 > 119 136 Cu 0.38440516261235 0.50000000000000 0.20553845491342 63.546 > 119 137 Cu 0.34408297457402 0.25000000000000 0.03300870611510 63.546 > 121 138 Cu 0.34408297457402 0.75000000000000 0.03300870611510 63.546 > 121 139 Cu 0.65591702542598 0.25000000000000 0.96699129388491 63.546 > 123 140 Cu 0.65591702542598 0.75000000000000 0.96699129388491 63.546 > 123 141 Cu 0.46621977513082 0.25000000000000 0.64696126844516 63.546 > 125 142 Cu 0.46621977513082 0.75000000000000 0.64696126844516 63.546 > 125 143 Cu 0.53378022486918 0.25000000000000 0.35303873155484 63.546 > 127 144 Cu 0.53378022486918 0.75000000000000 0.35303873155484 63.546 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 15.6677896 0.0000000 0.2189613 0.0000000 15.9583747 0.0000000 0.2190383 0.0000000 14.7737595 -------------------------- Born effective charges -------------------------- 1 P 0.2893471 0.0957510 -0.1351671 0.0489644 0.2678804 0.0712097 -0.3022838 0.5326698 0.3791852 2 P 0.2893471 -0.0957510 -0.1351671 -0.0489644 0.2678804 -0.0712097 -0.3022838 -0.5326698 0.3791852 3 P 0.2893471 0.0957510 -0.1351671 0.0489644 0.2678804 0.0712097 -0.3022838 0.5326698 0.3791852 4 P 0.2893471 -0.0957510 -0.1351671 -0.0489644 0.2678804 -0.0712097 -0.3022838 -0.5326698 0.3791852 5 P -0.3479593 0.3180551 -0.0253980 0.1981885 0.8836652 0.2937432 0.2339533 0.1488876 -0.0008812 6 P -0.3479593 -0.3180551 -0.0253980 -0.1981885 0.8836652 -0.2937432 0.2339533 -0.1488876 -0.0008812 7 P -0.3479593 0.3180551 -0.0253980 0.1981885 0.8836652 0.2937432 0.2339533 0.1488876 -0.0008812 8 P -0.3479593 -0.3180551 -0.0253980 -0.1981885 0.8836652 -0.2937432 0.2339533 -0.1488876 -0.0008812 9 P 0.3763281 0.0000000 -0.2179092 0.0000000 0.0027771 0.0000000 -0.1780417 0.0000000 -0.5802426 10 P 0.3763281 0.0000000 -0.2179092 0.0000000 0.0027771 0.0000000 -0.1780417 0.0000000 -0.5802426 11 P -0.3742022 0.0000000 -0.2676952 0.0000000 -0.4923354 0.0000000 0.0220878 0.0000000 -0.5005010 12 P -0.3742022 0.0000000 -0.2676952 0.0000000 -0.4923354 0.0000000 0.0220878 0.0000000 -0.5005010 13 P -0.9746441 0.0000000 -0.7968776 0.0000000 -0.7079891 0.0000000 -0.5814661 0.0000000 -0.2005791 14 P -0.9746441 0.0000000 -0.7968776 0.0000000 -0.7079891 0.0000000 -0.5814661 0.0000000 -0.2005791 15 P -0.0366351 0.0000000 -0.1795462 0.0000000 -0.6726069 0.0000000 -0.6505958 0.0000000 -0.3908731 16 P -0.0366351 0.0000000 -0.1795462 0.0000000 -0.6726069 0.0000000 -0.6505958 0.0000000 -0.3908731 17 P 0.4076456 -0.3475968 0.4554086 -0.2008337 0.6059180 0.2654817 0.0824579 0.2950522 0.1925032 18 P 0.4076456 0.3475968 0.4554086 0.2008337 0.6059180 -0.2654817 0.0824579 -0.2950522 0.1925032 19 P 0.4076456 -0.3475968 0.4554086 -0.2008337 0.6059180 0.2654817 0.0824579 0.2950522 0.1925032 20 P 0.4076456 0.3475968 0.4554086 0.2008337 0.6059180 -0.2654817 0.0824579 -0.2950522 0.1925032 21 P -0.0616235 -0.0677284 0.2254753 -0.3155193 0.4585924 0.4161328 0.2758167 0.0388171 0.4046098 22 P -0.0616235 0.0677284 0.2254753 0.3155193 0.4585924 -0.4161328 0.2758167 -0.0388171 0.4046098 23 P -0.0616235 -0.0677284 0.2254753 -0.3155193 0.4585924 0.4161328 0.2758167 0.0388171 0.4046098 24 P -0.0616235 0.0677284 0.2254753 0.3155193 0.4585924 -0.4161328 0.2758167 -0.0388171 0.4046098 25 P 0.5791515 -0.3064696 -0.1781693 -0.7786004 -0.6469768 0.1634833 0.1347393 -0.3328451 -0.0339504 26 P 0.5791515 0.3064696 -0.1781693 0.7786004 -0.6469768 -0.1634833 0.1347393 0.3328451 -0.0339504 27 P 0.5791515 -0.3064696 -0.1781693 -0.7786004 -0.6469768 0.1634833 0.1347393 -0.3328451 -0.0339504 28 P 0.5791515 0.3064696 -0.1781693 0.7786004 -0.6469768 -0.1634833 0.1347393 0.3328451 -0.0339504 29 Cu -0.4212504 0.0000000 0.2461142 0.0000000 -0.7370694 0.0000000 0.2073110 0.0000000 -0.3904865 30 Cu -0.4212504 0.0000000 0.2461142 0.0000000 -0.7370694 0.0000000 0.2073110 0.0000000 -0.3904865 31 Cu -0.0434199 0.0000000 0.4183199 0.0000000 -0.0577288 0.0000000 0.0573476 0.0000000 -0.1072036 32 Cu -0.0434199 0.0000000 0.4183199 0.0000000 -0.0577288 0.0000000 0.0573476 0.0000000 -0.1072036 33 Cu -0.1837538 0.0000000 0.0338411 0.0000000 -0.2983075 0.0000000 0.1311366 0.0000000 0.2091268 34 Cu -0.1837538 0.0000000 0.0338411 0.0000000 -0.2983075 0.0000000 0.1311366 0.0000000 0.2091268 35 Cu -0.0755452 0.0000000 0.0794541 0.0000000 -0.1748987 0.0000000 0.1428539 0.0000000 0.0778258 36 Cu -0.0755452 0.0000000 0.0794541 0.0000000 -0.1748987 0.0000000 0.1428539 0.0000000 0.0778258 ---------------------------------------------------------------------------- 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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 21, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 29, 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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] 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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 113, 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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 117, 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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 121, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 125, 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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yx) 0.00000000 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:46:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:46:26]------------------------- Compiled with OpenMP support (max 32 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.259203949155884 -3.599916195000000 0.000000000000000 b 6.259203949155884 3.599916195000000 0.000000000000000 c -4.296364961371236 0.000000000000000 13.806567421869280 Atomic positions (fractional): 1 P 0.55652918806364 0.03980963946244 0.37729143592147 30.974 2 P 0.96019036053756 0.44347081193636 0.62270856407853 30.974 3 P 0.44347081193636 0.96019036053756 0.62270856407853 30.974 4 P 0.03980963946244 0.55652918806364 0.37729143592147 30.974 5 P 0.55782285619262 0.03053543532965 0.22262128917619 30.974 6 P 0.96946456467035 0.44217714380738 0.77737871082381 30.974 7 P 0.44217714380738 0.96946456467035 0.77737871082381 30.974 8 P 0.03053543532965 0.55782285619262 0.22262128917619 30.974 9 P 0.22290918924019 0.22290918924019 0.40833024417577 30.974 10 P 0.77709081075981 0.77709081075981 0.59166975582423 30.974 11 P 0.10358178763449 0.10358178763449 0.79713997834767 30.974 12 P 0.89641821236551 0.89641821236551 0.20286002165233 30.974 13 P 0.34542404277438 0.34542404277438 0.04316216905821 30.974 14 P 0.65457595722562 0.65457595722562 0.95683783094179 30.974 15 P 0.47165488384178 0.47165488384178 0.64696336227384 30.974 16 P 0.52834511615822 0.52834511615822 0.35303663772616 30.974 17 P 0.82971533375983 0.35570742926156 0.01947410237120 30.974 18 P 0.64429257073844 0.17028466624017 0.98052589762880 30.974 19 P 0.17028466624017 0.64429257073844 0.98052589762880 30.974 20 P 0.35570742926156 0.82971533375983 0.01947410237120 30.974 21 P 0.23431687248529 0.72902332617651 0.42107518420357 30.974 22 P 0.27097667382349 0.76568312751471 0.57892481579643 30.974 23 P 0.76568312751471 0.27097667382349 0.57892481579643 30.974 24 P 0.72902332617651 0.23431687248529 0.42107518420357 30.974 25 P 0.77486328357491 0.45791409090435 0.17209251259975 30.974 26 P 0.54208590909565 0.22513671642510 0.82790748740025 30.974 27 P 0.22513671642510 0.54208590909565 0.82790748740025 30.974 28 P 0.45791409090435 0.77486328357490 0.17209251259975 30.974 29 Cu 0.71753615215438 0.71753615215438 0.42587462911760 63.546 30 Cu 0.28246384784562 0.28246384784562 0.57412537088240 63.546 31 Cu 0.61559483738765 0.61559483738765 0.79446154508658 63.546 32 Cu 0.38440516261235 0.38440516261235 0.20553845491342 63.546 33 Cu 0.84408297457402 0.84408297457402 0.03300870611510 63.546 34 Cu 0.15591702542598 0.15591702542598 0.96699129388491 63.546 35 Cu 0.96621977513082 0.96621977513082 0.64696126844516 63.546 36 Cu 0.03378022486918 0.03378022486918 0.35303873155484 63.546 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.518407898311768 0.000000000000000 0.000000000000000 b 0.000000000000000 14.399664780000000 0.000000000000000 c -4.296364961371236 0.000000000000000 13.806567421869280 Atomic positions (fractional): 1 P 0.79816941376304 0.12082011284970 0.37729143592147 30.974 > 1 2 P 0.79816941376304 0.62082011284970 0.37729143592147 30.974 > 1 3 P 0.20183058623696 0.12082011284970 0.62270856407853 30.974 > 3 4 P 0.20183058623696 0.62082011284970 0.62270856407853 30.974 > 3 5 P 0.20183058623696 0.37917988715030 0.62270856407853 30.974 > 5 6 P 0.20183058623696 0.87917988715030 0.62270856407853 30.974 > 5 7 P 0.79816941376304 0.37917988715030 0.37729143592147 30.974 > 7 8 P 0.79816941376304 0.87917988715030 0.37729143592147 30.974 > 7 9 P 0.79417914576114 0.11817814478426 0.22262128917619 30.974 > 9 10 P 0.79417914576114 0.61817814478426 0.22262128917619 30.974 > 9 11 P 0.20582085423886 0.11817814478426 0.77737871082381 30.974 > 11 12 P 0.20582085423886 0.61817814478426 0.77737871082381 30.974 > 11 13 P 0.20582085423886 0.38182185521574 0.77737871082381 30.974 > 13 14 P 0.20582085423886 0.88182185521574 0.77737871082381 30.974 > 13 15 P 0.79417914576114 0.38182185521574 0.22262128917619 30.974 > 15 16 P 0.79417914576114 0.88182185521574 0.22262128917619 30.974 > 15 17 P 0.72290918924019 0.25000000000000 0.40833024417577 30.974 > 17 18 P 0.72290918924019 0.75000000000000 0.40833024417577 30.974 > 17 19 P 0.27709081075981 0.25000000000000 0.59166975582423 30.974 > 19 20 P 0.27709081075981 0.75000000000000 0.59166975582423 30.974 > 19 21 P 0.10358178763449 0.00000000000000 0.79713997834767 30.974 > 21 22 P 0.10358178763449 0.50000000000000 0.79713997834767 30.974 > 21 23 P 0.89641821236551 0.00000000000000 0.20286002165233 30.974 > 23 24 P 0.89641821236551 0.50000000000000 0.20286002165233 30.974 > 23 25 P 0.84542404277438 0.25000000000000 0.04316216905821 30.974 > 25 26 P 0.84542404277438 0.75000000000000 0.04316216905821 30.974 > 25 27 P 0.15457595722562 0.25000000000000 0.95683783094179 30.974 > 27 28 P 0.15457595722562 0.75000000000000 0.95683783094179 30.974 > 27 29 P 0.97165488384178 0.25000000000000 0.64696336227384 30.974 > 29 30 P 0.97165488384178 0.75000000000000 0.64696336227384 30.974 > 29 31 P 0.02834511615822 0.25000000000000 0.35303663772616 30.974 > 31 32 P 0.02834511615822 0.75000000000000 0.35303663772616 30.974 > 31 33 P 0.59271138151070 0.38149802387543 0.01947410237120 30.974 > 33 34 P 0.59271138151070 0.88149802387543 0.01947410237120 30.974 > 33 35 P 0.40728861848930 0.38149802387543 0.98052589762880 30.974 > 35 36 P 0.40728861848930 0.88149802387543 0.98052589762880 30.974 > 35 37 P 0.40728861848930 0.11850197612457 0.98052589762880 30.974 > 37 38 P 0.40728861848930 0.61850197612457 0.98052589762880 30.974 > 37 39 P 0.59271138151070 0.11850197612457 0.01947410237120 30.974 > 39 40 P 0.59271138151070 0.61850197612457 0.01947410237120 30.974 > 39 41 P 0.98167009933090 0.37367661342281 0.42107518420357 30.974 > 41 42 P 0.98167009933090 0.87367661342281 0.42107518420357 30.974 > 41 43 P 0.01832990066910 0.37367661342281 0.57892481579643 30.974 > 43 44 P 0.01832990066910 0.87367661342281 0.57892481579643 30.974 > 43 45 P 0.01832990066910 0.12632338657719 0.57892481579643 30.974 > 45 46 P 0.01832990066910 0.62632338657719 0.57892481579643 30.974 > 45 47 P 0.98167009933090 0.12632338657719 0.42107518420357 30.974 > 47 48 P 0.98167009933090 0.62632338657719 0.42107518420357 30.974 > 47 49 P 0.61638868723963 0.42076270183236 0.17209251259975 30.974 > 49 50 P 0.61638868723963 0.92076270183236 0.17209251259975 30.974 > 49 51 P 0.38361131276037 0.42076270183236 0.82790748740025 30.974 > 51 52 P 0.38361131276037 0.92076270183236 0.82790748740025 30.974 > 51 53 P 0.38361131276037 0.07923729816764 0.82790748740025 30.974 > 53 54 P 0.38361131276037 0.57923729816764 0.82790748740025 30.974 > 53 55 P 0.61638868723963 0.07923729816764 0.17209251259975 30.974 > 55 56 P 0.61638868723963 0.57923729816764 0.17209251259975 30.974 > 55 57 P 0.29816941376304 0.37082011284970 0.37729143592147 30.974 > 1 58 P 0.29816941376304 0.87082011284970 0.37729143592147 30.974 > 1 59 P 0.70183058623696 0.37082011284970 0.62270856407853 30.974 > 3 60 P 0.70183058623696 0.87082011284970 0.62270856407853 30.974 > 3 61 P 0.70183058623696 0.12917988715030 0.62270856407853 30.974 > 5 62 P 0.70183058623696 0.62917988715030 0.62270856407853 30.974 > 5 63 P 0.29816941376304 0.12917988715030 0.37729143592147 30.974 > 7 64 P 0.29816941376304 0.62917988715030 0.37729143592147 30.974 > 7 65 P 0.29417914576114 0.36817814478426 0.22262128917619 30.974 > 9 66 P 0.29417914576114 0.86817814478426 0.22262128917619 30.974 > 9 67 P 0.70582085423886 0.36817814478426 0.77737871082381 30.974 > 11 68 P 0.70582085423886 0.86817814478426 0.77737871082381 30.974 > 11 69 P 0.70582085423886 0.13182185521574 0.77737871082381 30.974 > 13 70 P 0.70582085423886 0.63182185521574 0.77737871082381 30.974 > 13 71 P 0.29417914576114 0.13182185521574 0.22262128917619 30.974 > 15 72 P 0.29417914576114 0.63182185521574 0.22262128917619 30.974 > 15 73 P 0.22290918924019 0.00000000000000 0.40833024417577 30.974 > 17 74 P 0.22290918924019 0.50000000000000 0.40833024417577 30.974 > 17 75 P 0.77709081075981 0.00000000000000 0.59166975582423 30.974 > 19 76 P 0.77709081075981 0.50000000000000 0.59166975582423 30.974 > 19 77 P 0.60358178763449 0.25000000000000 0.79713997834767 30.974 > 21 78 P 0.60358178763449 0.75000000000000 0.79713997834767 30.974 > 21 79 P 0.39641821236551 0.25000000000000 0.20286002165233 30.974 > 23 80 P 0.39641821236551 0.75000000000000 0.20286002165233 30.974 > 23 81 P 0.34542404277438 0.00000000000000 0.04316216905821 30.974 > 25 82 P 0.34542404277438 0.50000000000000 0.04316216905821 30.974 > 25 83 P 0.65457595722562 0.00000000000000 0.95683783094179 30.974 > 27 84 P 0.65457595722562 0.50000000000000 0.95683783094179 30.974 > 27 85 P 0.47165488384178 0.00000000000000 0.64696336227384 30.974 > 29 86 P 0.47165488384178 0.50000000000000 0.64696336227384 30.974 > 29 87 P 0.52834511615822 0.00000000000000 0.35303663772616 30.974 > 31 88 P 0.52834511615822 0.50000000000000 0.35303663772616 30.974 > 31 89 P 0.09271138151070 0.13149802387543 0.01947410237120 30.974 > 33 90 P 0.09271138151070 0.63149802387543 0.01947410237120 30.974 > 33 91 P 0.90728861848930 0.13149802387543 0.98052589762880 30.974 > 35 92 P 0.90728861848930 0.63149802387543 0.98052589762880 30.974 > 35 93 P 0.90728861848930 0.36850197612457 0.98052589762880 30.974 > 37 94 P 0.90728861848930 0.86850197612457 0.98052589762880 30.974 > 37 95 P 0.09271138151070 0.36850197612457 0.01947410237120 30.974 > 39 96 P 0.09271138151070 0.86850197612457 0.01947410237120 30.974 > 39 97 P 0.48167009933090 0.12367661342281 0.42107518420357 30.974 > 41 98 P 0.48167009933090 0.62367661342281 0.42107518420357 30.974 > 41 99 P 0.51832990066910 0.12367661342281 0.57892481579643 30.974 > 43 100 P 0.51832990066910 0.62367661342281 0.57892481579643 30.974 > 43 101 P 0.51832990066910 0.37632338657719 0.57892481579643 30.974 > 45 102 P 0.51832990066910 0.87632338657719 0.57892481579643 30.974 > 45 103 P 0.48167009933090 0.37632338657719 0.42107518420357 30.974 > 47 104 P 0.48167009933090 0.87632338657719 0.42107518420357 30.974 > 47 105 P 0.11638868723963 0.17076270183236 0.17209251259975 30.974 > 49 106 P 0.11638868723963 0.67076270183236 0.17209251259975 30.974 > 49 107 P 0.88361131276037 0.17076270183236 0.82790748740025 30.974 > 51 108 P 0.88361131276037 0.67076270183236 0.82790748740025 30.974 > 51 109 P 0.88361131276037 0.32923729816764 0.82790748740025 30.974 > 53 110 P 0.88361131276037 0.82923729816764 0.82790748740025 30.974 > 53 111 P 0.11638868723963 0.32923729816764 0.17209251259975 30.974 > 55 112 P 0.11638868723963 0.82923729816764 0.17209251259975 30.974 > 55 113 Cu 0.71753615215438 0.00000000000000 0.42587462911760 63.546 > 113 114 Cu 0.71753615215438 0.50000000000000 0.42587462911760 63.546 > 113 115 Cu 0.28246384784562 0.00000000000000 0.57412537088240 63.546 > 115 116 Cu 0.28246384784562 0.50000000000000 0.57412537088240 63.546 > 115 117 Cu 0.11559483738765 0.25000000000000 0.79446154508658 63.546 > 117 118 Cu 0.11559483738765 0.75000000000000 0.79446154508658 63.546 > 117 119 Cu 0.88440516261235 0.25000000000000 0.20553845491342 63.546 > 119 120 Cu 0.88440516261235 0.75000000000000 0.20553845491342 63.546 > 119 121 Cu 0.84408297457402 0.00000000000000 0.03300870611510 63.546 > 121 122 Cu 0.84408297457402 0.50000000000000 0.03300870611510 63.546 > 121 123 Cu 0.15591702542598 0.00000000000000 0.96699129388491 63.546 > 123 124 Cu 0.15591702542598 0.50000000000000 0.96699129388491 63.546 > 123 125 Cu 0.96621977513082 0.00000000000000 0.64696126844516 63.546 > 125 126 Cu 0.96621977513082 0.50000000000000 0.64696126844516 63.546 > 125 127 Cu 0.03378022486918 0.00000000000000 0.35303873155484 63.546 > 127 128 Cu 0.03378022486918 0.50000000000000 0.35303873155484 63.546 > 127 129 Cu 0.21753615215438 0.25000000000000 0.42587462911760 63.546 > 113 130 Cu 0.21753615215438 0.75000000000000 0.42587462911760 63.546 > 113 131 Cu 0.78246384784562 0.25000000000000 0.57412537088240 63.546 > 115 132 Cu 0.78246384784562 0.75000000000000 0.57412537088240 63.546 > 115 133 Cu 0.61559483738765 0.00000000000000 0.79446154508658 63.546 > 117 134 Cu 0.61559483738765 0.50000000000000 0.79446154508658 63.546 > 117 135 Cu 0.38440516261235 0.00000000000000 0.20553845491342 63.546 > 119 136 Cu 0.38440516261235 0.50000000000000 0.20553845491342 63.546 > 119 137 Cu 0.34408297457402 0.25000000000000 0.03300870611510 63.546 > 121 138 Cu 0.34408297457402 0.75000000000000 0.03300870611510 63.546 > 121 139 Cu 0.65591702542598 0.25000000000000 0.96699129388491 63.546 > 123 140 Cu 0.65591702542598 0.75000000000000 0.96699129388491 63.546 > 123 141 Cu 0.46621977513082 0.25000000000000 0.64696126844516 63.546 > 125 142 Cu 0.46621977513082 0.75000000000000 0.64696126844516 63.546 > 125 143 Cu 0.53378022486918 0.25000000000000 0.35303873155484 63.546 > 127 144 Cu 0.53378022486918 0.75000000000000 0.35303873155484 63.546 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 15.6677896 0.0000000 0.2189613 0.0000000 15.9583747 0.0000000 0.2190383 0.0000000 14.7737595 -------------------------- Born effective charges -------------------------- 1 P 0.2893471 0.0957510 -0.1351671 0.0489644 0.2678804 0.0712097 -0.3022838 0.5326698 0.3791852 2 P 0.2893471 -0.0957510 -0.1351671 -0.0489644 0.2678804 -0.0712097 -0.3022838 -0.5326698 0.3791852 3 P 0.2893471 0.0957510 -0.1351671 0.0489644 0.2678804 0.0712097 -0.3022838 0.5326698 0.3791852 4 P 0.2893471 -0.0957510 -0.1351671 -0.0489644 0.2678804 -0.0712097 -0.3022838 -0.5326698 0.3791852 5 P -0.3479593 0.3180551 -0.0253980 0.1981885 0.8836652 0.2937432 0.2339533 0.1488876 -0.0008812 6 P -0.3479593 -0.3180551 -0.0253980 -0.1981885 0.8836652 -0.2937432 0.2339533 -0.1488876 -0.0008812 7 P -0.3479593 0.3180551 -0.0253980 0.1981885 0.8836652 0.2937432 0.2339533 0.1488876 -0.0008812 8 P -0.3479593 -0.3180551 -0.0253980 -0.1981885 0.8836652 -0.2937432 0.2339533 -0.1488876 -0.0008812 9 P 0.3763281 0.0000000 -0.2179092 0.0000000 0.0027771 0.0000000 -0.1780417 0.0000000 -0.5802426 10 P 0.3763281 0.0000000 -0.2179092 0.0000000 0.0027771 0.0000000 -0.1780417 0.0000000 -0.5802426 11 P -0.3742022 0.0000000 -0.2676952 0.0000000 -0.4923354 0.0000000 0.0220878 0.0000000 -0.5005010 12 P -0.3742022 0.0000000 -0.2676952 0.0000000 -0.4923354 0.0000000 0.0220878 0.0000000 -0.5005010 13 P -0.9746441 0.0000000 -0.7968776 0.0000000 -0.7079891 0.0000000 -0.5814661 0.0000000 -0.2005791 14 P -0.9746441 0.0000000 -0.7968776 0.0000000 -0.7079891 0.0000000 -0.5814661 0.0000000 -0.2005791 15 P -0.0366351 0.0000000 -0.1795462 0.0000000 -0.6726069 0.0000000 -0.6505958 0.0000000 -0.3908731 16 P -0.0366351 0.0000000 -0.1795462 0.0000000 -0.6726069 0.0000000 -0.6505958 0.0000000 -0.3908731 17 P 0.4076456 -0.3475968 0.4554086 -0.2008337 0.6059180 0.2654817 0.0824579 0.2950522 0.1925032 18 P 0.4076456 0.3475968 0.4554086 0.2008337 0.6059180 -0.2654817 0.0824579 -0.2950522 0.1925032 19 P 0.4076456 -0.3475968 0.4554086 -0.2008337 0.6059180 0.2654817 0.0824579 0.2950522 0.1925032 20 P 0.4076456 0.3475968 0.4554086 0.2008337 0.6059180 -0.2654817 0.0824579 -0.2950522 0.1925032 21 P -0.0616235 -0.0677284 0.2254753 -0.3155193 0.4585924 0.4161328 0.2758167 0.0388171 0.4046098 22 P -0.0616235 0.0677284 0.2254753 0.3155193 0.4585924 -0.4161328 0.2758167 -0.0388171 0.4046098 23 P -0.0616235 -0.0677284 0.2254753 -0.3155193 0.4585924 0.4161328 0.2758167 0.0388171 0.4046098 24 P -0.0616235 0.0677284 0.2254753 0.3155193 0.4585924 -0.4161328 0.2758167 -0.0388171 0.4046098 25 P 0.5791515 -0.3064696 -0.1781693 -0.7786004 -0.6469768 0.1634833 0.1347393 -0.3328451 -0.0339504 26 P 0.5791515 0.3064696 -0.1781693 0.7786004 -0.6469768 -0.1634833 0.1347393 0.3328451 -0.0339504 27 P 0.5791515 -0.3064696 -0.1781693 -0.7786004 -0.6469768 0.1634833 0.1347393 -0.3328451 -0.0339504 28 P 0.5791515 0.3064696 -0.1781693 0.7786004 -0.6469768 -0.1634833 0.1347393 0.3328451 -0.0339504 29 Cu -0.4212504 0.0000000 0.2461142 0.0000000 -0.7370694 0.0000000 0.2073110 0.0000000 -0.3904865 30 Cu -0.4212504 0.0000000 0.2461142 0.0000000 -0.7370694 0.0000000 0.2073110 0.0000000 -0.3904865 31 Cu -0.0434199 0.0000000 0.4183199 0.0000000 -0.0577288 0.0000000 0.0573476 0.0000000 -0.1072036 32 Cu -0.0434199 0.0000000 0.4183199 0.0000000 -0.0577288 0.0000000 0.0573476 0.0000000 -0.1072036 33 Cu -0.1837538 0.0000000 0.0338411 0.0000000 -0.2983075 0.0000000 0.1311366 0.0000000 0.2091268 34 Cu -0.1837538 0.0000000 0.0338411 0.0000000 -0.2983075 0.0000000 0.1311366 0.0000000 0.2091268 35 Cu -0.0755452 0.0000000 0.0794541 0.0000000 -0.1748987 0.0000000 0.1428539 0.0000000 0.0778258 36 Cu -0.0755452 0.0000000 0.0794541 0.0000000 -0.1748987 0.0000000 0.1428539 0.0000000 0.0778258 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 8 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.49, Number of G-points: 307, Lambda: 0.20 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/78) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.982 ( 0.000 0.000 0.000) 0.000 1.988 ( 0.000 0.000 0.000) 0.000 2.116 ( 0.000 0.000 0.000) 0.000 2.133 ( 0.000 0.000 0.000) 0.000 2.391 ( 0.000 0.000 0.000) 0.000 2.663 ( 0.000 0.000 0.000) 0.000 2.772 ( 0.000 0.000 0.000) 0.000 2.792 ( 0.000 0.000 0.000) 0.000 3.012 ( 0.000 0.000 0.000) 0.000 3.021 ( 0.000 0.000 0.000) 0.000 3.081 ( 0.000 0.000 0.000) 0.000 3.270 ( 0.000 0.000 0.000) 0.000 3.312 ( 0.000 0.000 0.000) 0.000 3.378 ( 0.000 0.000 0.000) 0.000 3.408 ( 0.000 0.000 0.000) 0.000 3.417 ( 0.000 0.000 0.000) 0.000 3.526 ( 0.000 0.000 0.000) 0.000 3.684 ( 0.000 0.000 0.000) 0.000 3.730 ( 0.000 0.000 0.000) 0.000 3.794 ( 0.000 0.000 0.000) 0.000 3.797 ( 0.000 0.000 0.000) 0.000 3.806 ( 0.000 0.000 0.000) 0.000 3.898 ( 0.000 0.000 0.000) 0.000 3.998 ( 0.000 0.000 0.000) 0.000 4.087 ( 0.000 0.000 0.000) 0.000 4.216 ( 0.000 0.000 0.000) 0.000 4.327 ( 0.000 0.000 0.000) 0.000 4.494 ( 0.000 0.000 0.000) 0.000 4.771 ( 0.000 0.000 0.000) 0.000 4.832 ( 0.000 0.000 0.000) 0.000 4.852 ( 0.000 0.000 0.000) 0.000 5.133 ( 0.000 0.000 0.000) 0.000 5.417 ( 0.000 0.000 0.000) 0.000 5.493 ( 0.000 0.000 0.000) 0.000 5.502 ( 0.000 0.000 0.000) 0.000 5.780 ( 0.000 0.000 0.000) 0.000 5.786 ( 0.000 0.000 0.000) 0.000 6.037 ( 0.000 0.000 0.000) 0.000 6.055 ( 0.000 0.000 0.000) 0.000 6.308 ( 0.000 0.000 0.000) 0.000 6.571 ( 0.000 0.000 0.000) 0.000 6.702 ( 0.000 0.000 0.000) 0.000 6.985 ( 0.000 0.000 0.000) 0.000 7.131 ( 0.000 0.000 0.000) 0.000 7.652 ( 0.000 0.000 0.000) 0.000 7.974 ( 0.000 0.000 0.000) 0.000 8.069 ( 0.000 0.000 0.000) 0.000 8.157 ( 0.000 0.000 0.000) 0.000 8.352 ( 0.000 0.000 0.000) 0.000 8.469 ( 0.000 0.000 0.000) 0.000 8.618 ( 0.000 0.000 0.000) 0.000 8.712 ( 0.000 0.000 0.000) 0.000 8.758 ( 0.000 0.000 0.000) 0.000 8.787 ( 0.000 0.000 0.000) 0.000 8.861 ( 0.000 0.000 0.000) 0.000 9.120 ( 0.000 0.000 0.000) 0.000 9.139 ( 0.000 0.000 0.000) 0.000 9.203 ( 0.000 0.000 0.000) 0.000 9.261 ( 0.000 0.000 0.000) 0.000 9.406 ( 0.000 0.000 0.000) 0.000 9.450 ( 0.000 0.000 0.000) 0.000 9.684 ( 0.000 0.000 0.000) 0.000 10.005 ( 0.000 0.000 0.000) 0.000 10.070 ( 0.000 0.000 0.000) 0.000 10.104 ( 0.000 0.000 0.000) 0.000 10.236 ( 0.000 0.000 0.000) 0.000 10.617 ( 0.000 0.000 0.000) 0.000 11.179 ( 0.000 0.000 0.000) 0.000 11.255 ( 0.000 0.000 0.000) 0.000 11.467 ( 0.000 0.000 0.000) 0.000 12.046 ( 0.000 0.000 0.000) 0.000 12.221 ( 0.000 0.000 0.000) 0.000 12.252 ( 0.000 0.000 0.000) 0.000 12.337 ( 0.000 0.000 0.000) 0.000 12.383 ( 0.000 0.000 0.000) 0.000 12.528 ( 0.000 0.000 0.000) 0.000 12.549 ( 0.000 0.000 0.000) 0.000 12.569 ( 0.000 0.000 0.000) 0.000 12.648 ( 0.000 0.000 0.000) 0.000 12.677 ( 0.000 0.000 0.000) 0.000 12.722 ( 0.000 0.000 0.000) 0.000 12.859 ( 0.000 0.000 0.000) 0.000 12.898 ( 0.000 0.000 0.000) 0.000 12.908 ( 0.000 0.000 0.000) 0.000 12.983 ( 0.000 0.000 0.000) 0.000 13.129 ( 0.000 0.000 0.000) 0.000 13.139 ( 0.000 0.000 0.000) 0.000 13.175 ( 0.000 0.000 0.000) 0.000 13.178 ( 0.000 0.000 0.000) 0.000 13.406 ( 0.000 0.000 0.000) 0.000 13.407 ( 0.000 0.000 0.000) 0.000 13.502 ( 0.000 0.000 0.000) 0.000 13.511 ( 0.000 0.000 0.000) 0.000 13.616 ( 0.000 0.000 0.000) 0.000 13.733 ( 0.000 0.000 0.000) 0.000 13.855 ( 0.000 0.000 0.000) 0.000 14.053 ( 0.000 0.000 0.000) 0.000 14.163 ( 0.000 0.000 0.000) 0.000 14.196 ( 0.000 0.000 0.000) 0.000 14.295 ( 0.000 0.000 0.000) 0.000 14.386 ( 0.000 0.000 0.000) 0.000 14.504 ( 0.000 0.000 0.000) 0.000 14.580 ( 0.000 0.000 0.000) 0.000 14.639 ( 0.000 0.000 0.000) 0.000 14.938 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/78) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.696 ( 13.474 -29.083 15.451) 35.583 0.815 ( 28.155 -25.666 18.400) 42.308 1.276 ( 25.156 -55.177 4.226) 60.789 2.047 ( 0.597 -6.464 -16.099) 17.359 2.227 ( 6.435 -13.033 -4.760) 15.295 2.273 ( 3.663 -22.280 15.445) 27.356 2.336 ( 8.791 -13.445 3.046) 16.350 2.553 ( 6.530 -11.222 -0.181) 12.985 2.676 ( 0.678 -3.260 -1.713) 3.745 2.783 ( 2.907 -0.401 2.867) 4.102 2.977 ( 1.890 -15.600 -1.175) 15.758 3.041 ( 3.499 -6.562 1.413) 7.569 3.190 ( -1.973 -9.478 -5.499) 11.134 3.246 ( 2.563 -11.691 1.905) 12.120 3.320 ( -0.732 -9.826 -0.248) 9.856 3.350 ( 2.969 -2.927 -4.795) 6.354 3.370 ( 3.033 -3.236 -2.476) 5.079 3.420 ( 0.592 -4.983 -4.061) 6.456 3.523 ( 1.914 -7.061 2.920) 7.877 3.608 ( 4.155 -4.979 4.042) 7.641 3.687 ( 2.796 5.183 1.478) 6.071 3.773 ( 1.784 -3.736 -0.251) 4.148 3.810 ( 1.692 -11.275 1.635) 11.518 3.842 ( 2.489 -2.954 1.633) 4.193 3.910 ( 2.287 -5.681 -4.100) 7.370 3.968 ( 4.168 -5.530 6.426) 9.447 4.060 ( 4.822 -3.307 3.802) 6.975 4.115 ( 0.092 -3.660 0.243) 3.669 4.218 ( -2.218 -1.644 -2.524) 3.741 4.368 ( 3.989 -2.784 1.677) 5.145 4.493 ( 1.012 0.513 0.879) 1.435 4.769 ( 3.032 1.184 -0.703) 3.330 4.814 ( 1.779 3.037 2.914) 4.570 4.908 ( 2.211 -3.923 -0.842) 4.582 5.153 ( -1.008 -2.221 0.485) 2.487 5.355 ( -6.107 2.090 -8.511) 10.682 5.390 ( -10.712 -1.844 -24.882) 27.152 5.501 ( 3.427 3.167 1.759) 4.987 5.753 ( -0.432 0.044 -5.910) 5.926 5.846 ( 3.811 1.218 13.312) 13.900 6.028 ( -2.807 1.899 -8.000) 8.689 6.058 ( 2.273 0.601 6.285) 6.711 6.323 ( 1.229 -0.276 3.762) 3.967 6.582 ( 0.813 0.221 1.254) 1.510 6.644 ( -1.272 3.420 -2.424) 4.380 7.020 ( -0.191 -3.313 -0.927) 3.445 7.154 ( 4.031 2.082 12.077) 12.901 7.649 ( 0.444 0.525 -0.340) 0.767 7.990 ( -1.096 -0.130 -0.287) 1.141 8.065 ( 0.156 0.829 0.561) 1.013 8.153 ( 0.667 0.594 -0.113) 0.900 8.354 ( -0.848 0.107 -0.351) 0.924 8.434 ( 0.170 3.513 0.218) 3.523 8.647 ( 1.566 -0.925 0.699) 1.948 8.705 ( -0.920 -0.014 -2.621) 2.778 8.756 ( -0.708 -0.053 0.992) 1.220 8.790 ( -0.141 -0.220 0.434) 0.507 8.846 ( -0.508 1.150 -0.720) 1.449 9.118 ( -1.065 0.167 0.048) 1.079 9.130 ( -0.316 0.590 0.249) 0.714 9.197 ( 0.052 0.637 0.523) 0.826 9.257 ( -0.554 0.040 -0.816) 0.987 9.398 ( -0.250 0.925 0.550) 1.104 9.446 ( 0.108 0.571 -0.231) 0.625 9.681 ( 0.182 0.600 0.124) 0.639 9.984 ( -1.200 1.565 -0.662) 2.080 10.033 ( -0.981 3.653 0.740) 3.854 10.108 ( 0.440 -0.088 -0.035) 0.449 10.229 ( -0.138 0.747 0.068) 0.763 10.551 ( -2.429 6.560 -0.922) 7.056 11.095 ( -3.973 7.201 0.202) 8.226 11.164 ( -2.935 8.464 -0.192) 8.960 11.416 ( -1.464 4.548 0.214) 4.782 12.030 ( -2.511 0.270 -1.974) 3.206 12.164 ( -2.326 4.825 -0.163) 5.359 12.221 ( 0.416 3.326 1.422) 3.641 12.339 ( -0.293 4.265 0.051) 4.275 12.345 ( -0.671 -0.631 0.081) 0.924 12.469 ( -0.710 5.924 0.476) 5.985 12.534 ( -0.956 3.331 0.357) 3.484 12.537 ( -0.408 2.018 -0.542) 2.129 12.634 ( -2.368 0.449 -1.334) 2.754 12.679 ( -2.554 -0.312 -1.031) 2.772 12.696 ( -0.949 2.136 -0.389) 2.369 12.805 ( -1.771 8.757 0.888) 8.978 12.839 ( -2.564 0.351 0.350) 2.611 12.908 ( 0.194 0.516 0.504) 0.747 12.962 ( -1.636 1.752 0.686) 2.493 13.090 ( -0.818 2.010 -1.162) 2.462 13.123 ( -0.232 1.288 -0.132) 1.315 13.139 ( 0.407 0.973 0.594) 1.211 13.234 ( 0.395 -1.209 0.507) 1.369 13.370 ( -0.840 2.926 -1.169) 3.260 13.407 ( -0.403 0.054 1.355) 1.415 13.513 ( -0.485 -1.546 -2.196) 2.729 13.536 ( 0.557 -1.513 1.774) 2.397 13.591 ( -0.311 2.482 0.031) 2.501 13.739 ( -1.517 -1.416 0.164) 2.081 13.880 ( -0.345 -2.570 0.650) 2.673 14.062 ( -1.461 -1.678 0.062) 2.226 14.146 ( -1.376 -0.474 -1.210) 1.893 14.257 ( 5.474 -0.843 3.829) 6.734 14.276 ( -1.455 0.317 -2.643) 3.034 14.402 ( 3.633 1.347 4.481) 5.924 14.509 ( 0.712 -0.155 -0.759) 1.052 14.549 ( -0.382 2.700 -0.247) 2.738 14.645 ( 0.007 -0.473 -2.026) 2.080 14.918 ( -0.578 1.487 -1.678) 2.316 ======================= Grid point 2 (3/78) ======================= q-point: ( 0.25 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( 10.276 -28.580 12.932) 33.010 1.537 ( 23.841 -20.507 16.654) 35.585 2.130 ( 1.686 -10.509 -11.318) 15.536 2.355 ( 13.257 -31.284 2.637) 34.079 2.500 ( 6.240 -9.961 -3.296) 12.208 2.597 ( 7.210 -10.269 -0.812) 12.573 2.687 ( 3.840 -10.430 12.783) 16.939 2.775 ( 3.778 -10.201 -1.930) 11.048 2.846 ( 5.145 -7.235 0.033) 8.878 2.976 ( 7.042 -16.100 7.365) 19.054 3.088 ( -7.327 -0.894 -7.291) 10.375 3.143 ( 3.208 -1.461 -5.897) 6.870 3.344 ( 3.321 -0.379 -7.210) 7.947 3.394 ( 2.729 -9.667 1.395) 10.141 3.475 ( 5.482 -11.368 0.752) 12.643 3.523 ( 4.467 -5.319 -2.369) 7.339 3.557 ( 4.425 -13.207 1.193) 13.980 3.649 ( 2.041 -6.005 1.864) 6.610 3.726 ( 5.610 -14.902 6.760) 17.298 3.751 ( 2.787 -10.629 -0.366) 10.995 3.790 ( 3.667 -16.295 0.174) 16.704 3.902 ( 5.150 -7.548 0.970) 9.189 3.988 ( 3.354 -8.901 5.732) 11.105 4.059 ( -0.929 -9.353 -4.032) 10.228 4.102 ( 3.941 -11.950 0.768) 12.606 4.132 ( 6.217 -10.218 -2.032) 12.132 4.207 ( 4.380 -7.388 7.018) 11.091 4.252 ( -1.214 -7.953 1.284) 8.147 4.294 ( 5.139 -11.572 2.594) 12.925 4.511 ( 1.967 -1.107 1.699) 2.825 4.515 ( 7.571 -5.362 3.144) 9.796 4.752 ( 3.928 2.701 -6.474) 8.040 4.862 ( 6.549 -2.589 6.313) 9.457 4.989 ( 1.605 -2.578 -2.627) 4.016 5.104 ( -9.056 2.948 -12.760) 15.923 5.226 ( -5.152 -1.306 -14.585) 15.524 5.279 ( -6.075 -2.054 -9.301) 11.297 5.474 ( 3.422 4.088 2.641) 5.949 5.718 ( -1.304 1.081 -7.304) 7.498 5.837 ( -2.870 5.605 -5.704) 8.496 5.923 ( -2.245 2.157 -1.310) 3.377 6.086 ( 2.139 1.209 5.814) 6.312 6.348 ( 0.555 0.476 2.909) 3.000 6.504 ( -1.865 5.107 -0.638) 5.474 6.675 ( 4.097 -2.396 7.979) 9.284 7.066 ( 0.389 -1.917 -0.579) 2.040 7.201 ( 4.492 2.584 13.318) 14.291 7.640 ( 0.730 1.010 -0.359) 1.297 7.977 ( -0.688 0.547 -0.221) 0.906 8.039 ( -0.645 2.086 0.571) 2.257 8.159 ( 2.573 0.320 -0.023) 2.593 8.331 ( -1.719 1.515 1.180) 2.577 8.374 ( 0.718 3.352 -0.512) 3.466 8.664 ( -1.140 0.173 -2.157) 2.445 8.685 ( -0.077 -0.105 -1.409) 1.415 8.758 ( -0.556 -0.533 0.926) 1.204 8.795 ( -0.460 -0.521 0.192) 0.721 8.815 ( -0.436 1.003 -0.364) 1.152 9.087 ( -1.856 1.495 -0.342) 2.408 9.110 ( -0.926 1.645 0.196) 1.898 9.201 ( 0.894 -0.644 0.875) 1.407 9.244 ( -1.205 0.099 -1.135) 1.659 9.373 ( -0.431 1.899 0.960) 2.171 9.430 ( -0.374 0.880 -0.550) 1.103 9.669 ( -0.011 0.919 0.074) 0.923 9.921 ( -1.883 3.579 -0.687) 4.103 9.954 ( -1.032 3.586 0.660) 3.790 10.114 ( 0.429 -0.094 -0.268) 0.515 10.213 ( -0.060 0.883 0.085) 0.889 10.361 ( -4.992 9.879 -1.050) 11.119 10.873 ( -6.222 11.486 0.103) 13.063 10.928 ( -4.725 13.076 -0.197) 13.905 11.305 ( -1.837 5.803 0.077) 6.088 11.964 ( -4.427 3.264 -1.548) 5.714 12.038 ( -2.329 5.059 -1.151) 5.687 12.177 ( 0.457 2.624 2.407) 3.590 12.249 ( -0.622 4.976 -0.637) 5.055 12.301 ( -1.919 6.227 -0.646) 6.548 12.362 ( -0.392 3.617 1.482) 3.929 12.443 ( -2.105 4.745 0.454) 5.210 12.484 ( -0.636 2.648 -0.475) 2.765 12.558 ( -3.164 9.935 -2.202) 10.656 12.582 ( -3.384 1.626 -1.009) 3.888 12.634 ( -1.541 4.409 0.243) 4.677 12.695 ( -1.722 -0.194 0.221) 1.747 12.822 ( -1.897 -0.708 0.667) 2.132 12.868 ( -2.287 2.437 -0.121) 3.344 12.928 ( 0.123 1.219 0.617) 1.372 13.062 ( -0.019 1.346 0.158) 1.355 13.100 ( -0.650 0.465 -0.857) 1.172 13.127 ( 0.400 0.871 0.888) 1.307 13.234 ( 0.330 1.232 0.240) 1.298 13.301 ( -1.380 2.939 -0.431) 3.275 13.404 ( -0.788 -0.052 0.939) 1.226 13.531 ( -0.231 0.832 -1.459) 1.696 13.538 ( -0.121 0.871 -0.006) 0.880 13.578 ( 0.667 -1.740 1.748) 2.555 13.744 ( -1.839 -0.847 0.177) 2.032 13.928 ( 0.078 -2.776 0.236) 2.787 14.076 ( -1.740 -1.723 -0.021) 2.448 14.149 ( -0.550 -0.859 0.285) 1.059 14.238 ( -1.486 0.951 -1.910) 2.600 14.344 ( 5.555 -0.712 3.385) 6.545 14.424 ( 3.220 2.278 5.015) 6.380 14.496 ( 0.336 2.413 -0.603) 2.510 14.516 ( 0.398 0.118 -0.208) 0.464 14.645 ( 0.479 -0.376 -3.235) 3.292 14.870 ( -1.091 2.033 -2.738) 3.580 ======================= Grid point 3 (4/78) ======================= q-point: ( 0.38 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( 4.418 -26.074 8.655) 27.826 2.072 ( 16.197 -11.767 11.289) 22.983 2.284 ( 1.024 -9.693 -4.917) 10.917 2.492 ( 0.132 3.248 -2.502) 4.102 2.682 ( 5.267 -1.794 -0.721) 5.611 2.851 ( 0.686 -5.177 4.139) 6.664 2.860 ( 0.445 5.050 -5.519) 7.494 2.877 ( 1.143 -2.834 1.165) 3.270 2.945 ( 0.574 -4.249 -0.890) 4.379 3.075 ( 4.262 -1.111 -4.353) 6.192 3.140 ( 1.254 3.238 4.077) 5.355 3.241 ( -0.053 -3.664 0.038) 3.665 3.473 ( 3.412 -9.506 -2.651) 10.442 3.526 ( 1.604 -1.266 2.089) 2.922 3.574 ( 0.012 0.287 -0.056) 0.293 3.725 ( 5.257 -17.365 0.759) 18.159 3.763 ( 2.146 -8.640 -2.811) 9.335 3.851 ( 4.298 -6.417 -0.802) 7.765 3.991 ( 5.252 -5.707 6.419) 10.068 4.054 ( 1.797 -9.225 1.692) 9.549 4.060 ( 9.983 -11.587 7.432) 17.005 4.155 ( 2.862 -13.023 -1.958) 13.476 4.204 ( 0.851 -11.964 1.071) 12.042 4.251 ( 2.403 -12.857 0.349) 13.084 4.281 ( 1.161 -7.688 -1.723) 7.964 4.384 ( 1.525 -4.213 1.597) 4.757 4.392 ( 6.072 -10.828 6.236) 13.893 4.465 ( 5.808 -9.634 3.836) 11.886 4.547 ( 2.266 -11.264 -1.595) 11.600 4.636 ( -1.198 -11.267 -0.829) 11.361 4.679 ( 6.248 -2.246 4.907) 8.256 4.749 ( 6.288 2.711 0.583) 6.872 4.854 ( -11.651 3.003 -18.349) 21.942 5.006 ( 6.679 0.197 -1.052) 6.764 5.041 ( 1.764 -0.614 -0.664) 1.982 5.178 ( 0.251 -3.776 -7.978) 8.830 5.277 ( -1.704 -3.390 -3.633) 5.253 5.453 ( -0.078 3.499 5.095) 6.182 5.584 ( -5.446 7.006 -18.138) 20.193 5.656 ( -4.386 3.496 -4.828) 7.400 5.869 ( -1.305 3.786 3.787) 5.511 6.095 ( 0.921 0.730 1.750) 2.108 6.319 ( -1.585 2.361 0.825) 2.961 6.430 ( -0.048 2.415 2.313) 3.344 6.819 ( 4.628 -5.625 8.206) 10.972 7.087 ( 1.254 0.569 1.799) 2.265 7.207 ( 1.213 3.911 4.845) 6.344 7.632 ( 0.930 0.746 0.349) 1.242 7.958 ( -0.611 0.566 -0.390) 0.920 7.994 ( -0.744 2.003 0.217) 2.148 8.193 ( 3.977 -0.218 -0.034) 3.983 8.282 ( -1.445 2.580 3.453) 4.546 8.332 ( -0.885 1.155 -1.852) 2.356 8.623 ( -1.521 0.932 -3.768) 4.169 8.688 ( -0.017 -0.029 0.461) 0.462 8.764 ( -0.447 -0.768 -0.362) 0.960 8.789 ( -0.142 0.199 0.215) 0.325 8.823 ( 0.021 -1.201 0.496) 1.300 9.026 ( -2.386 2.771 -0.515) 3.693 9.061 ( -0.790 2.412 -0.051) 2.538 9.224 ( -1.260 0.218 -0.784) 1.500 9.242 ( 1.490 -2.066 0.669) 2.633 9.333 ( -0.840 2.028 0.696) 2.303 9.414 ( -0.254 0.317 -0.240) 0.472 9.652 ( -0.228 0.803 -0.027) 0.835 9.844 ( -1.051 2.863 -0.012) 3.050 9.899 ( -0.799 1.814 -0.005) 1.982 10.105 ( -0.805 3.113 -0.471) 3.249 10.155 ( -3.173 4.939 -0.242) 5.876 10.201 ( 0.055 0.624 0.065) 0.630 10.620 ( -4.594 9.835 -0.005) 10.855 10.674 ( -3.769 9.335 -0.086) 10.067 11.199 ( -1.316 3.963 -0.104) 4.177 11.841 ( -3.200 4.466 -0.254) 5.500 11.960 ( -1.395 1.818 -1.215) 2.593 12.138 ( -1.598 3.488 0.560) 3.877 12.167 ( -0.366 3.097 -0.347) 3.138 12.179 ( 0.172 3.520 0.544) 3.566 12.291 ( -1.476 4.034 0.419) 4.316 12.359 ( -2.761 6.122 0.072) 6.717 12.371 ( -0.063 2.912 -0.036) 2.913 12.444 ( -0.440 1.608 -0.223) 1.682 12.523 ( -2.661 1.289 -0.563) 3.010 12.560 ( -0.278 2.609 -0.476) 2.667 12.682 ( -1.772 -0.158 -0.337) 1.811 12.803 ( -1.765 1.426 0.303) 2.289 12.835 ( -0.529 -0.939 -0.474) 1.178 12.912 ( 0.285 1.018 0.574) 1.203 13.036 ( -0.600 0.948 -0.209) 1.142 13.085 ( -0.246 0.701 -0.154) 0.759 13.128 ( 0.659 0.094 0.842) 1.074 13.214 ( 0.039 1.069 -0.031) 1.070 13.251 ( -0.664 1.486 0.068) 1.629 13.404 ( -0.740 -0.646 0.491) 1.098 13.475 ( -0.194 2.981 -0.027) 2.988 13.557 ( 0.211 -0.966 -0.558) 1.135 13.613 ( 0.419 -1.000 1.140) 1.573 13.734 ( -1.271 0.006 0.035) 1.271 13.976 ( 0.736 -2.119 -0.346) 2.269 14.086 ( -0.809 -0.946 -0.029) 1.245 14.153 ( -1.067 0.110 0.683) 1.272 14.210 ( -0.856 0.140 -0.699) 1.114 14.389 ( 1.351 1.093 -0.207) 1.750 14.426 ( 3.186 1.349 4.486) 5.665 14.481 ( 1.000 0.572 0.717) 1.357 14.511 ( -0.006 0.646 0.128) 0.658 14.653 ( 0.809 -0.738 -2.582) 2.805 14.819 ( -1.138 1.443 -2.280) 2.929 ======================= Grid point 4 (5/78) ======================= q-point: (-0.50 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( 0.000 -0.000 0.000) 0.000 2.332 ( 0.000 0.000 0.000) 0.000 2.399 ( 0.000 -0.000 -0.000) 0.000 2.493 ( 0.000 -0.000 0.000) 0.000 2.550 ( -0.000 0.000 -0.000) 0.000 2.789 ( 0.000 -0.000 0.000) 0.000 2.837 ( 0.000 -0.000 -0.000) 0.000 2.959 ( 0.000 -0.000 -0.000) 0.000 3.063 ( 0.000 0.000 0.000) 0.000 3.075 ( 0.000 -0.000 -0.000) 0.000 3.151 ( -0.000 0.000 -0.000) 0.000 3.188 ( 0.000 -0.000 0.000) 0.000 3.508 ( 0.000 -0.000 0.000) 0.000 3.574 ( 0.000 0.000 0.000) 0.000 3.601 ( 0.000 -0.000 -0.000) 0.000 3.811 ( 0.000 -0.000 0.000) 0.000 3.889 ( 0.000 -0.000 0.000) 0.000 3.942 ( 0.000 -0.000 -0.000) 0.000 4.084 ( 0.000 -0.000 0.000) 0.000 4.229 ( -0.000 0.000 -0.000) 0.000 4.244 ( 0.000 -0.000 0.000) 0.000 4.303 ( 0.000 -0.000 -0.000) 0.000 4.343 ( -0.000 -0.000 -0.000) 0.000 4.373 ( 0.000 0.000 0.000) 0.000 4.412 ( 0.000 0.000 0.000) 0.000 4.418 ( -0.000 -0.000 -0.000) 0.000 4.535 ( -0.000 -0.000 -0.000) 0.000 4.611 ( 0.000 -0.000 0.000) 0.000 4.676 ( -0.000 -0.000 -0.000) 0.000 4.690 ( 0.000 -0.000 0.000) 0.000 4.702 ( 0.000 0.000 -0.000) 0.000 4.734 ( -0.000 -0.000 -0.000) 0.000 4.790 ( 0.000 0.000 0.000) 0.000 5.028 ( 0.000 -0.000 -0.000) 0.000 5.032 ( -0.000 -0.000 0.000) 0.000 5.282 ( 0.000 -0.000 0.000) 0.000 5.294 ( -0.000 0.000 -0.000) 0.000 5.331 ( 0.000 -0.000 0.000) 0.000 5.501 ( 0.000 -0.000 -0.000) 0.000 5.571 ( 0.000 -0.000 0.000) 0.000 5.822 ( 0.000 -0.000 0.000) 0.000 6.095 ( 0.000 -0.000 -0.000) 0.000 6.284 ( 0.000 -0.000 0.000) 0.000 6.415 ( 0.000 -0.000 -0.000) 0.000 6.941 ( 0.000 -0.000 0.000) 0.000 7.094 ( 0.000 -0.000 0.000) 0.000 7.150 ( -0.000 -0.000 -0.000) 0.000 7.632 ( 0.000 -0.000 -0.000) 0.000 7.949 ( 0.000 -0.000 0.000) 0.000 7.971 ( 0.000 -0.000 0.000) 0.000 8.228 ( 0.000 -0.000 0.000) 0.000 8.247 ( 0.000 -0.000 0.000) 0.000 8.311 ( 0.000 -0.000 0.000) 0.000 8.598 ( 0.000 -0.000 0.000) 0.000 8.689 ( 0.000 -0.000 0.000) 0.000 8.772 ( 0.000 -0.000 -0.000) 0.000 8.790 ( 0.000 -0.000 0.000) 0.000 8.838 ( 0.000 -0.000 0.000) 0.000 8.976 ( 0.000 -0.000 0.000) 0.000 9.032 ( 0.000 -0.000 0.000) 0.000 9.213 ( -0.000 -0.000 0.000) 0.000 9.290 ( 0.000 -0.000 0.000) 0.000 9.294 ( 0.000 -0.000 0.000) 0.000 9.410 ( 0.000 -0.000 0.000) 0.000 9.642 ( 0.000 -0.000 0.000) 0.000 9.812 ( 0.000 -0.000 0.000) 0.000 9.879 ( 0.000 -0.000 0.000) 0.000 10.028 ( 0.000 -0.000 0.000) 0.000 10.131 ( 0.000 -0.000 0.000) 0.000 10.196 ( 0.000 -0.000 0.000) 0.000 10.500 ( 0.000 -0.000 -0.000) 0.000 10.570 ( 0.000 -0.000 0.000) 0.000 11.156 ( 0.000 -0.000 0.000) 0.000 11.782 ( 0.000 -0.000 0.000) 0.000 11.935 ( 0.000 -0.000 0.000) 0.000 12.085 ( 0.000 -0.000 0.000) 0.000 12.143 ( 0.000 -0.000 0.000) 0.000 12.153 ( 0.000 -0.000 0.000) 0.000 12.242 ( 0.000 -0.000 0.000) 0.000 12.288 ( 0.000 -0.000 0.000) 0.000 12.352 ( 0.000 -0.000 0.000) 0.000 12.425 ( 0.000 -0.000 0.000) 0.000 12.494 ( 0.000 -0.000 0.000) 0.000 12.537 ( 0.000 -0.000 0.000) 0.000 12.672 ( 0.000 -0.000 0.000) 0.000 12.780 ( 0.000 -0.000 0.000) 0.000 12.842 ( -0.000 -0.000 0.000) 0.000 12.905 ( 0.000 -0.000 0.000) 0.000 13.024 ( 0.000 -0.000 0.000) 0.000 13.076 ( 0.000 -0.000 -0.000) 0.000 13.133 ( 0.000 -0.000 0.000) 0.000 13.204 ( 0.000 -0.000 0.000) 0.000 13.235 ( 0.000 -0.000 -0.000) 0.000 13.413 ( -0.000 -0.000 0.000) 0.000 13.440 ( 0.000 -0.000 0.000) 0.000 13.566 ( 0.000 -0.000 -0.000) 0.000 13.626 ( 0.000 -0.000 0.000) 0.000 13.726 ( 0.000 -0.000 0.000) 0.000 14.002 ( 0.000 -0.000 -0.000) 0.000 14.092 ( -0.000 -0.000 -0.000) 0.000 14.139 ( -0.000 -0.000 0.000) 0.000 14.208 ( 0.000 -0.000 0.000) 0.000 14.377 ( 0.000 -0.000 0.000) 0.000 14.443 ( 0.000 -0.000 -0.000) 0.000 14.486 ( 0.000 -0.000 0.000) 0.000 14.502 ( -0.000 -0.000 0.000) 0.000 14.661 ( -0.000 -0.000 -0.000) 0.000 14.795 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 10 (6/78) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( 32.397 0.000 5.615) 32.880 0.730 ( 30.224 0.000 12.596) 32.744 1.406 ( 55.504 0.000 31.989) 64.062 2.037 ( 13.170 0.000 -18.040) 22.336 2.056 ( 6.335 0.000 -14.932) 16.221 2.144 ( 7.003 0.000 16.486) 17.912 2.432 ( 14.832 0.000 13.029) 19.742 2.546 ( 13.068 0.000 -0.759) 13.090 2.667 ( 2.819 0.000 -4.193) 5.053 2.845 ( 5.634 0.000 4.530) 7.229 2.862 ( 5.479 0.000 1.605) 5.709 3.024 ( 0.635 0.000 0.326) 0.714 3.025 ( -0.928 -0.000 -4.271) 4.370 3.149 ( 4.632 0.000 1.004) 4.739 3.254 ( 2.458 0.000 -5.691) 6.199 3.285 ( 0.998 0.000 1.586) 1.873 3.349 ( 2.789 0.000 -9.462) 9.865 3.457 ( 11.110 0.000 -6.871) 13.063 3.509 ( 1.727 0.000 3.504) 3.907 3.642 ( 8.826 0.000 2.275) 9.114 3.693 ( 0.924 0.000 0.155) 0.937 3.756 ( 2.743 0.000 -4.989) 5.693 3.827 ( 4.868 0.000 1.742) 5.170 3.891 ( 5.620 0.000 6.630) 8.692 3.918 ( 7.333 0.000 5.813) 9.357 3.980 ( 6.858 0.000 4.747) 8.341 4.074 ( 0.488 0.000 2.940) 2.980 4.079 ( 0.005 0.000 -0.294) 0.294 4.230 ( 7.707 0.000 1.569) 7.865 4.386 ( 3.955 0.000 3.892) 5.549 4.510 ( 2.438 0.000 -1.560) 2.895 4.842 ( -1.063 -0.000 -0.831) 1.349 4.843 ( 4.677 0.000 6.554) 8.052 4.923 ( 8.713 0.000 -1.248) 8.802 5.096 ( -9.549 -0.000 -15.240) 17.984 5.167 ( -5.214 -0.000 -17.347) 18.113 5.292 ( -7.146 -0.000 -9.699) 12.047 5.576 ( 4.309 0.000 1.317) 4.506 5.719 ( -1.700 -0.000 -6.757) 6.967 5.915 ( 0.656 0.000 9.176) 9.200 5.982 ( -2.286 -0.000 -11.565) 11.789 6.107 ( 1.827 0.000 4.522) 4.877 6.353 ( 1.693 0.000 5.756) 6.000 6.620 ( 3.575 0.000 6.332) 7.272 6.641 ( -2.217 -0.000 -4.478) 4.996 6.991 ( 0.290 0.000 1.444) 1.473 7.260 ( 4.752 0.000 14.775) 15.521 7.660 ( 0.994 0.000 -0.827) 1.293 7.974 ( -0.116 -0.000 0.030) 0.120 8.080 ( 0.781 0.000 1.255) 1.478 8.164 ( 0.858 0.000 -0.057) 0.860 8.345 ( -0.552 -0.000 -1.014) 1.154 8.458 ( -1.261 -0.000 -0.250) 1.285 8.669 ( 2.191 0.000 1.273) 2.534 8.683 ( -1.414 -0.000 -3.477) 3.753 8.748 ( -1.244 -0.000 1.320) 1.814 8.787 ( -0.416 -0.000 0.564) 0.701 8.844 ( -1.113 -0.000 -1.688) 2.022 9.105 ( -1.915 -0.000 -0.034) 1.915 9.130 ( -1.050 -0.000 0.559) 1.190 9.204 ( -0.264 -0.000 0.952) 0.988 9.249 ( -0.523 -0.000 -1.236) 1.342 9.403 ( -0.571 -0.000 0.795) 0.979 9.453 ( 0.049 0.000 -0.423) 0.425 9.689 ( 0.081 0.000 0.113) 0.139 9.979 ( -2.080 -0.000 -0.687) 2.190 10.051 ( -2.264 -0.000 0.822) 2.409 10.114 ( 0.538 0.000 -0.067) 0.542 10.233 ( -0.286 -0.000 0.097) 0.302 10.567 ( -6.624 -0.000 -2.179) 6.973 11.102 ( -7.564 -0.000 0.407) 7.575 11.192 ( -6.230 -0.000 -0.408) 6.244 11.437 ( -2.796 -0.000 0.481) 2.837 11.990 ( -4.059 -0.000 -2.727) 4.890 12.168 ( -4.981 -0.000 -0.258) 4.988 12.269 ( 0.865 0.000 1.495) 1.727 12.322 ( -1.553 -0.000 0.763) 1.730 12.378 ( -0.613 -0.000 0.282) 0.675 12.516 ( -1.443 -0.000 0.820) 1.659 12.540 ( -0.676 -0.000 -1.397) 1.552 12.556 ( -1.713 -0.000 -0.041) 1.714 12.602 ( -3.920 -0.000 -1.221) 4.105 12.631 ( -4.214 -0.000 -0.635) 4.262 12.702 ( -1.600 -0.000 -0.671) 1.735 12.799 ( -4.130 -0.000 0.804) 4.208 12.865 ( -4.266 -0.000 0.400) 4.285 12.899 ( -3.575 -0.000 1.100) 3.741 12.960 ( -1.643 -0.000 0.845) 1.847 13.084 ( -0.616 -0.000 -1.690) 1.799 13.136 ( -0.456 -0.000 -0.089) 0.465 13.166 ( -0.752 -0.000 0.065) 0.755 13.223 ( 1.702 0.000 1.532) 2.290 13.384 ( -0.833 -0.000 -2.142) 2.299 13.409 ( -1.131 -0.000 2.169) 2.446 13.486 ( 0.060 0.000 -1.904) 1.905 13.532 ( 0.870 0.000 1.230) 1.507 13.610 ( -0.624 -0.000 0.201) 0.655 13.695 ( -3.867 -0.000 0.388) 3.887 13.853 ( -0.491 -0.000 1.288) 1.379 14.028 ( -1.868 -0.000 -0.187) 1.877 14.133 ( 0.320 0.000 -0.238) 0.399 14.263 ( -0.451 -0.000 -1.670) 1.730 14.332 ( 7.278 0.000 3.876) 8.246 14.468 ( 3.848 0.000 4.136) 5.649 14.510 ( 0.373 0.000 -0.784) 0.868 14.572 ( -0.697 -0.000 0.050) 0.698 14.634 ( 1.464 0.000 -3.477) 3.773 14.920 ( -0.483 -0.000 -2.344) 2.393 ======================= Grid point 11 (7/78) ======================= q-point: ( 0.25 0.12 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 20.533 -15.560 12.219) 28.513 1.439 ( 24.008 -29.838 6.033) 38.769 2.036 ( 15.118 -3.773 -1.240) 15.631 2.133 ( 26.410 -12.153 6.814) 29.860 2.330 ( 11.459 -15.986 -12.982) 23.567 2.469 ( 7.565 -18.651 14.079) 24.562 2.623 ( 11.052 -2.753 7.012) 13.375 2.747 ( 9.752 -6.159 0.106) 11.535 2.767 ( 14.459 -4.876 1.223) 15.308 2.928 ( 7.150 -2.213 5.371) 9.213 2.985 ( -2.808 -1.296 -6.396) 7.104 3.041 ( 3.687 -11.051 -1.831) 11.793 3.217 ( 4.471 -15.372 1.812) 16.111 3.330 ( 6.030 -10.623 0.082) 12.216 3.351 ( 3.550 -7.961 -6.099) 10.639 3.373 ( 3.697 -7.603 -5.660) 10.174 3.434 ( 2.872 -10.771 -2.218) 11.366 3.501 ( 7.994 2.201 -4.030) 9.219 3.614 ( 7.583 -3.873 0.967) 8.569 3.746 ( 5.790 -1.140 2.770) 6.519 3.779 ( 4.846 -0.123 -2.201) 5.324 3.808 ( 2.245 -10.986 0.221) 11.215 3.878 ( 3.253 -2.225 0.219) 3.947 3.955 ( 8.505 -1.390 2.972) 9.116 4.010 ( 4.813 -0.219 6.146) 7.809 4.117 ( 4.478 -3.983 -1.533) 6.186 4.122 ( 4.434 -5.378 0.750) 7.010 4.187 ( 5.892 -7.241 8.952) 12.934 4.341 ( 13.665 0.770 8.669) 16.201 4.499 ( 5.080 -3.597 3.139) 6.972 4.551 ( 7.178 -1.702 -0.088) 7.377 4.803 ( 0.503 2.201 -2.726) 3.540 4.861 ( -12.545 -0.273 -26.785) 29.578 4.939 ( 6.997 -0.875 4.081) 8.147 5.032 ( 6.765 -1.653 -2.808) 7.509 5.159 ( -3.343 0.436 -5.576) 6.516 5.179 ( -3.854 -1.343 -5.636) 6.958 5.589 ( 4.209 3.486 0.637) 5.502 5.682 ( -2.479 -0.231 -5.831) 6.340 5.879 ( -2.451 5.088 -10.543) 11.960 5.933 ( -2.005 0.214 4.997) 5.388 6.120 ( 0.006 0.359 0.844) 0.917 6.377 ( 0.800 0.752 2.993) 3.188 6.569 ( -1.238 4.024 0.059) 4.210 6.708 ( 4.206 -1.891 8.020) 9.252 7.023 ( 0.487 -2.154 1.176) 2.503 7.330 ( 3.582 1.867 12.180) 12.833 7.663 ( 1.323 0.617 -1.196) 1.887 7.973 ( -0.671 0.006 -0.238) 0.712 8.078 ( 0.604 1.843 1.436) 2.413 8.181 ( 2.058 -0.478 0.305) 2.135 8.328 ( -1.454 0.523 -1.666) 2.272 8.420 ( -1.898 2.086 -0.446) 2.855 8.655 ( -1.032 0.486 -3.256) 3.450 8.691 ( 1.391 0.361 1.637) 2.179 8.743 ( -1.238 -0.470 1.044) 1.686 8.784 ( -0.693 -0.175 0.472) 0.857 8.818 ( -1.241 0.624 -2.081) 2.502 9.079 ( -2.656 0.423 -0.538) 2.743 9.117 ( -1.192 0.436 0.733) 1.466 9.205 ( 0.081 -0.144 0.847) 0.863 9.237 ( -0.239 0.507 -0.878) 1.042 9.393 ( -0.773 0.821 1.139) 1.603 9.440 ( -0.541 0.931 -0.787) 1.334 9.683 ( -0.175 0.685 -0.008) 0.708 9.941 ( -2.464 1.565 -0.326) 2.937 10.000 ( -2.501 2.861 0.335) 3.814 10.118 ( 0.606 0.050 -0.115) 0.619 10.225 ( -0.218 0.607 0.021) 0.645 10.430 ( -8.212 5.747 -1.657) 10.159 10.955 ( -9.536 6.538 0.256) 11.565 11.046 ( -8.407 7.629 -0.359) 11.358 11.370 ( -3.043 4.038 0.320) 5.066 11.937 ( -4.717 0.120 -2.168) 5.193 12.075 ( -5.881 3.645 -0.318) 6.927 12.238 ( -0.101 3.316 1.662) 3.710 12.324 ( -0.967 2.751 -0.679) 2.994 12.328 ( -1.123 1.508 0.875) 2.074 12.451 ( -1.485 5.230 1.264) 5.582 12.500 ( -2.782 3.936 0.310) 4.830 12.505 ( -3.130 2.234 -0.941) 3.959 12.543 ( -4.637 -0.622 -1.613) 4.949 12.603 ( -3.291 0.170 -1.487) 3.615 12.662 ( -2.041 1.818 -0.386) 2.761 12.745 ( -4.486 6.284 0.995) 7.784 12.779 ( -3.503 -0.967 0.695) 3.700 12.843 ( -6.588 0.171 0.360) 6.600 12.946 ( -0.337 0.686 0.522) 0.926 13.081 ( 0.528 0.188 -0.468) 0.730 13.111 ( -0.707 1.671 -0.199) 1.826 13.147 ( -0.026 0.886 0.381) 0.965 13.248 ( 0.666 -0.103 0.462) 0.817 13.339 ( -1.510 2.927 -0.290) 3.307 13.397 ( -1.248 0.192 0.569) 1.385 13.501 ( 0.335 -1.663 -1.570) 2.312 13.560 ( 0.769 -1.455 1.217) 2.047 13.583 ( -0.457 2.205 0.438) 2.294 13.676 ( -4.899 -2.560 0.336) 5.538 13.878 ( -0.202 -2.630 0.796) 2.755 14.026 ( -1.641 -1.741 -0.139) 2.396 14.146 ( 1.485 -0.191 0.684) 1.646 14.250 ( 0.360 1.264 -0.469) 1.395 14.404 ( 5.035 0.202 0.234) 5.044 14.495 ( 1.574 1.216 1.773) 2.665 14.510 ( -0.493 -0.057 0.070) 0.501 14.545 ( 0.443 1.971 0.104) 2.023 14.652 ( 3.426 0.191 -1.624) 3.796 14.895 ( 0.214 1.917 -1.498) 2.442 ======================= Grid point 12 (8/78) ======================= q-point: ( 0.38 0.12 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( 11.044 -19.767 7.950) 23.998 2.075 ( 16.298 -13.873 3.697) 21.720 2.192 ( 11.077 -6.128 0.066) 12.659 2.460 ( 3.151 -8.466 -6.783) 11.297 2.676 ( 11.051 -10.039 -5.823) 16.025 2.764 ( 2.924 -0.609 1.036) 3.162 2.846 ( 4.343 -6.758 9.831) 12.695 2.895 ( -1.525 -3.604 -2.159) 4.470 2.966 ( 8.713 0.655 0.329) 8.744 3.073 ( 11.608 -13.309 5.977) 18.644 3.140 ( 7.903 -7.405 4.155) 11.600 3.226 ( 7.044 -0.382 -4.385) 8.306 3.389 ( 4.264 -0.032 -4.215) 5.996 3.495 ( -0.022 -5.892 -5.698) 8.196 3.517 ( 8.984 -7.571 -4.039) 12.423 3.596 ( 3.542 -8.563 3.781) 10.009 3.673 ( 5.458 -16.992 0.144) 17.847 3.714 ( 3.583 0.149 -0.563) 3.630 3.798 ( 3.145 -18.539 0.865) 18.824 3.846 ( 1.809 -13.461 -2.126) 13.748 3.899 ( 4.336 -12.035 3.367) 13.227 3.982 ( 0.737 -8.002 -3.545) 8.783 4.049 ( 1.965 -6.112 -0.091) 6.421 4.111 ( 2.929 -8.657 6.523) 11.228 4.189 ( 8.869 -12.034 1.566) 15.031 4.222 ( 1.690 -6.168 0.429) 6.410 4.338 ( 11.118 -6.589 3.603) 13.417 4.402 ( 5.348 -6.604 7.605) 11.404 4.499 ( 5.175 -1.375 0.675) 5.397 4.580 ( 10.544 -2.528 3.846) 11.505 4.689 ( -7.162 -2.705 -19.073) 20.552 4.723 ( 7.626 -2.253 3.007) 8.501 4.804 ( 5.316 -1.809 0.804) 5.673 4.995 ( -4.929 -2.238 -10.372) 11.700 5.106 ( 10.411 -1.073 -2.177) 10.690 5.133 ( 5.064 1.316 3.283) 6.177 5.210 ( 0.321 -2.362 1.295) 2.713 5.562 ( 3.786 4.060 1.406) 5.727 5.631 ( -3.116 0.961 -5.976) 6.808 5.678 ( -3.258 10.793 -6.491) 13.008 5.908 ( -3.239 1.532 3.816) 5.235 6.101 ( -1.606 0.637 -1.477) 2.273 6.349 ( -1.193 2.998 0.514) 3.268 6.501 ( 0.597 3.603 3.834) 5.296 6.807 ( 2.454 -3.103 5.140) 6.486 7.061 ( -0.320 -1.569 -0.444) 1.662 7.326 ( 0.448 4.486 5.209) 6.889 7.659 ( 1.460 1.014 -1.168) 2.127 7.958 ( -0.878 0.471 -0.440) 1.089 8.041 ( 0.528 3.055 1.050) 3.273 8.224 ( 3.314 -0.832 1.038) 3.571 8.285 ( -2.942 1.097 -1.881) 3.660 8.354 ( -2.261 2.713 -0.817) 3.625 8.630 ( 0.389 0.952 -1.594) 1.896 8.692 ( -0.309 0.582 1.439) 1.582 8.741 ( -1.191 -0.673 -0.126) 1.374 8.783 ( -0.697 -0.283 0.041) 0.753 8.803 ( -0.396 -0.751 -0.864) 1.211 9.032 ( -3.189 1.371 -0.517) 3.510 9.089 ( -1.113 1.682 0.275) 2.035 9.212 ( -0.546 -0.196 -0.404) 0.707 9.235 ( 1.360 -0.531 0.666) 1.605 9.360 ( -1.380 2.025 0.701) 2.549 9.417 ( -0.544 0.591 -0.278) 0.850 9.664 ( -0.579 0.963 -0.158) 1.134 9.879 ( -2.026 2.641 0.283) 3.340 9.926 ( -1.678 2.694 -0.235) 3.183 10.123 ( 0.532 0.095 -0.005) 0.540 10.204 ( -2.820 2.827 -0.568) 4.033 10.229 ( -4.868 5.486 -0.226) 7.338 10.725 ( -7.864 8.745 0.079) 11.761 10.794 ( -7.906 10.371 -0.176) 13.042 11.260 ( -2.490 4.888 0.038) 5.486 11.868 ( -4.106 2.621 -0.580) 4.906 11.963 ( -4.324 2.004 -0.451) 4.787 12.182 ( -0.801 3.050 1.195) 3.372 12.226 ( -1.008 4.799 -0.942) 4.993 12.267 ( -1.389 5.422 -0.096) 5.598 12.348 ( -1.648 4.726 1.451) 5.211 12.412 ( -1.359 2.882 1.124) 3.379 12.430 ( -3.500 2.729 -1.857) 4.811 12.480 ( -4.682 4.691 0.364) 6.638 12.511 ( -1.920 2.345 -0.831) 3.143 12.598 ( -1.819 3.030 -0.152) 3.537 12.658 ( -1.739 -0.359 0.110) 1.779 12.769 ( -5.286 -1.022 0.692) 5.428 12.798 ( -2.288 -1.645 -0.626) 2.886 12.930 ( -0.367 0.886 0.404) 1.041 13.063 ( 0.183 1.854 0.037) 1.864 13.094 ( 0.416 0.331 -0.355) 0.639 13.137 ( -0.101 0.341 0.491) 0.606 13.231 ( -0.581 2.091 -0.581) 2.246 13.282 ( -0.434 1.969 0.790) 2.166 13.386 ( -1.302 -0.361 0.142) 1.358 13.521 ( -0.114 1.193 -0.873) 1.482 13.537 ( -0.095 0.306 0.030) 0.322 13.602 ( 0.614 -1.446 1.161) 1.954 13.677 ( -4.678 -2.828 0.020) 5.466 13.934 ( 0.398 -3.293 -0.161) 3.321 14.050 ( -0.775 -2.203 0.218) 2.346 14.167 ( 1.944 0.412 1.495) 2.487 14.224 ( 0.628 1.892 0.333) 2.021 14.410 ( 0.257 1.167 -4.098) 4.268 14.479 ( 0.121 1.597 -0.090) 1.604 14.501 ( -0.113 0.452 -0.451) 0.649 14.521 ( -0.464 1.175 -0.558) 1.381 14.683 ( 4.873 1.187 1.915) 5.369 14.857 ( 1.203 2.943 0.737) 3.263 ======================= Grid point 13 (9/78) ======================= q-point: ( 0.50 0.12 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( 3.865 -17.202 1.966) 17.740 2.303 ( 6.742 -3.593 1.674) 7.820 2.416 ( 7.052 -5.024 3.602) 9.378 2.565 ( 3.078 0.998 -5.053) 6.000 2.641 ( -3.401 9.020 -4.951) 10.837 2.825 ( 4.136 2.276 -3.766) 6.039 2.862 ( 3.417 -1.041 -1.277) 3.793 3.023 ( 6.724 -1.658 0.966) 6.993 3.085 ( 8.970 9.599 0.697) 13.156 3.153 ( 8.005 -3.112 1.645) 8.744 3.221 ( 1.015 3.214 -2.355) 4.112 3.254 ( 2.042 5.793 5.352) 8.147 3.488 ( 1.497 -3.867 -5.042) 6.528 3.514 ( 0.508 -4.574 0.020) 4.602 3.645 ( -1.124 1.717 4.185) 4.661 3.785 ( 2.697 -4.526 0.712) 5.316 3.837 ( 4.332 -8.486 1.377) 9.627 3.862 ( -3.459 -5.490 -8.412) 10.624 4.032 ( 0.371 -3.306 -4.564) 5.648 4.087 ( -1.772 -12.232 0.391) 12.366 4.143 ( 0.640 -15.859 -2.963) 16.146 4.174 ( 0.590 -10.842 -0.108) 10.858 4.223 ( 0.766 -5.833 4.860) 7.631 4.317 ( 2.123 -8.744 0.209) 9.001 4.351 ( -2.003 -6.234 0.096) 6.549 4.423 ( 3.592 -8.510 1.902) 9.431 4.482 ( -0.479 0.295 -6.408) 6.433 4.504 ( 0.172 -5.811 -6.704) 8.874 4.554 ( 1.653 -1.407 3.868) 4.436 4.728 ( 5.550 -5.762 6.046) 10.027 4.779 ( 9.683 0.412 4.777) 10.805 4.831 ( 8.926 -0.830 5.476) 10.504 4.921 ( 4.868 0.548 4.711) 6.796 5.007 ( -2.848 -3.703 -3.420) 5.790 5.097 ( 2.597 7.220 1.900) 7.905 5.143 ( 0.973 -0.401 -8.834) 8.897 5.302 ( 4.560 -0.554 3.385) 5.706 5.477 ( 2.527 3.817 -3.114) 5.537 5.562 ( -0.882 1.438 -0.976) 1.949 5.577 ( 4.860 2.732 11.142) 12.459 5.843 ( -2.999 2.772 2.060) 4.574 6.069 ( -2.299 -0.287 -2.296) 3.261 6.277 ( -2.189 2.043 -0.829) 3.107 6.470 ( 1.858 3.411 3.677) 5.348 6.887 ( -1.781 -4.813 -1.783) 5.433 7.049 ( -3.325 1.569 -4.755) 6.011 7.230 ( -0.924 4.958 0.311) 5.053 7.645 ( 0.520 1.364 -1.660) 2.211 7.945 ( -0.340 0.084 -0.051) 0.354 8.004 ( 1.274 2.387 0.998) 2.884 8.221 ( -3.054 1.262 -1.950) 3.837 8.252 ( -1.568 1.435 0.265) 2.142 8.309 ( 1.326 -0.463 -0.932) 1.686 8.624 ( 1.698 0.985 2.395) 3.097 8.683 ( -0.589 -0.136 0.054) 0.607 8.750 ( -0.770 -1.431 -0.334) 1.659 8.786 ( -0.375 -0.462 0.161) 0.616 8.820 ( -0.343 -1.528 -0.456) 1.631 8.977 ( -1.915 1.026 0.160) 2.178 9.047 ( -0.402 1.782 -0.158) 1.834 9.211 ( 0.259 -0.294 0.219) 0.449 9.273 ( 1.098 -1.693 -0.385) 2.055 9.312 ( -1.170 1.944 0.257) 2.283 9.409 ( -0.156 -0.032 0.288) 0.329 9.643 ( -0.520 0.427 -0.172) 0.695 9.824 ( -0.890 1.692 0.222) 1.925 9.883 ( -0.661 0.862 -0.089) 1.090 10.047 ( -3.763 4.037 -0.039) 5.519 10.129 ( -0.004 -0.163 0.154) 0.224 10.201 ( -0.027 0.570 -0.199) 0.604 10.532 ( -3.906 5.524 0.076) 6.766 10.591 ( -3.940 4.553 -0.086) 6.022 11.173 ( -1.205 2.531 0.079) 2.804 11.788 ( -1.832 1.820 0.037) 2.583 11.924 ( -1.889 -0.611 0.418) 2.029 12.120 ( -0.142 3.356 0.545) 3.403 12.155 ( -0.155 2.013 -0.664) 2.125 12.174 ( -0.792 3.000 -0.507) 3.144 12.275 ( -0.739 3.232 0.717) 3.392 12.305 ( -2.030 3.723 -0.365) 4.256 12.368 ( -0.765 2.170 -0.205) 2.310 12.411 ( -2.241 -0.308 0.831) 2.409 12.482 ( -1.279 -0.312 0.058) 1.317 12.546 ( -0.863 1.377 0.103) 1.628 12.666 ( 0.313 -1.029 0.237) 1.101 12.742 ( -3.940 -1.758 0.146) 4.317 12.822 ( -0.431 -2.077 -0.414) 2.161 12.910 ( -0.660 0.915 0.075) 1.131 13.043 ( 1.175 1.086 0.257) 1.620 13.087 ( 0.413 0.886 -0.137) 0.987 13.132 ( -0.593 0.146 0.232) 0.653 13.189 ( -1.388 0.695 -0.966) 1.828 13.259 ( 0.485 1.233 0.447) 1.398 13.389 ( -0.728 -1.269 0.052) 1.464 13.472 ( -0.184 2.717 0.328) 2.743 13.552 ( -0.282 -1.106 -1.189) 1.649 13.625 ( 0.153 -0.432 0.575) 0.735 13.683 ( -3.392 -2.678 -0.084) 4.323 13.988 ( 0.546 -2.007 -0.227) 2.092 14.082 ( 0.238 -1.423 0.398) 1.496 14.167 ( 1.728 1.780 1.767) 3.046 14.218 ( 1.816 0.418 0.618) 1.963 14.371 ( -1.059 0.724 -4.303) 4.490 14.436 ( -2.219 1.490 -3.322) 4.264 14.485 ( -1.124 0.440 -1.300) 1.774 14.499 ( -0.800 0.169 -0.601) 1.014 14.707 ( 3.555 2.231 3.580) 5.516 14.832 ( 2.110 2.229 2.862) 4.196 ======================= Grid point 14 (10/78) ======================= q-point: (-0.38 0.12 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( -9.047 14.454 -8.215) 18.927 2.351 ( 2.863 15.953 -5.138) 17.003 2.380 ( 0.807 -4.629 -1.743) 5.012 2.524 ( 6.835 5.748 4.739) 10.110 2.614 ( 1.677 -5.100 7.629) 9.328 2.819 ( 2.439 -1.075 -4.656) 5.365 2.858 ( -2.748 2.893 -8.019) 8.957 2.957 ( 1.897 4.976 3.000) 6.112 3.071 ( 1.164 9.102 -0.950) 9.225 3.133 ( 8.160 2.743 0.354) 8.617 3.171 ( 2.680 4.624 4.262) 6.836 3.293 ( 3.487 0.597 3.268) 4.816 3.492 ( -3.311 0.408 -6.675) 7.462 3.546 ( -5.183 4.106 -0.340) 6.621 3.614 ( 4.429 -0.545 5.067) 6.752 3.790 ( -7.752 -0.070 -8.488) 11.495 3.871 ( 2.352 1.274 -0.834) 2.802 3.886 ( -0.202 2.055 2.493) 3.237 4.032 ( -1.812 0.709 -1.915) 2.730 4.128 ( -2.152 11.731 -3.079) 12.318 4.223 ( -4.399 -0.519 -2.338) 5.008 4.273 ( -0.583 8.152 2.105) 8.440 4.291 ( -4.062 -1.852 -4.086) 6.052 4.355 ( -3.493 5.931 1.178) 6.983 4.364 ( -0.554 3.345 -1.169) 3.586 4.416 ( -0.537 0.922 2.289) 2.525 4.451 ( -4.946 2.195 -3.147) 6.260 4.564 ( -3.496 -1.908 -5.972) 7.178 4.624 ( 1.016 -0.428 1.581) 1.927 4.710 ( 1.047 8.200 0.221) 8.270 4.754 ( -0.419 9.195 0.143) 9.206 4.827 ( 1.986 4.471 2.171) 5.352 4.946 ( 5.710 0.187 8.350) 10.118 4.994 ( -1.793 2.288 -0.158) 2.911 5.059 ( 0.342 3.133 3.640) 4.815 5.241 ( 4.457 -2.532 8.893) 10.265 5.279 ( 1.422 0.846 -2.341) 2.867 5.484 ( 2.360 1.771 -1.149) 3.166 5.601 ( 0.758 -4.354 6.976) 8.258 5.706 ( 11.754 -0.486 19.403) 22.691 5.807 ( -0.268 -2.239 -1.993) 3.009 6.047 ( -3.097 -0.441 -2.600) 4.068 6.269 ( 0.054 -3.301 -2.433) 4.102 6.437 ( 1.337 2.618 1.250) 3.194 6.865 ( -6.000 7.937 -9.953) 14.074 6.936 ( -6.039 -6.745 -9.679) 13.253 7.204 ( 1.144 0.754 2.170) 2.567 7.619 ( -0.331 0.589 -1.580) 1.719 7.950 ( 0.120 -0.694 0.171) 0.725 7.996 ( 1.961 0.565 0.601) 2.127 8.162 ( -4.021 0.996 0.343) 4.156 8.219 ( -1.801 -1.795 -3.963) 4.708 8.341 ( 1.827 -0.377 0.555) 1.946 8.650 ( 2.345 -0.237 5.374) 5.868 8.684 ( -0.209 -0.296 -0.673) 0.764 8.764 ( -0.534 -0.937 -1.263) 1.661 8.785 ( -0.482 0.052 0.512) 0.705 8.832 ( -0.280 -0.117 -0.647) 0.715 8.991 ( 0.735 -2.908 0.743) 3.090 9.036 ( 0.406 -0.804 -0.208) 0.924 9.231 ( 1.213 -0.762 0.959) 1.724 9.267 ( -0.964 2.165 -0.356) 2.396 9.305 ( 0.205 -1.476 -1.011) 1.801 9.412 ( 0.131 -0.158 0.270) 0.339 9.642 ( -0.036 -0.490 -0.013) 0.491 9.813 ( 0.071 -1.022 0.067) 1.027 9.880 ( 0.019 -0.823 0.056) 0.825 10.033 ( 0.352 -4.370 0.315) 4.396 10.133 ( 0.100 -0.385 0.178) 0.436 10.195 ( -0.072 0.003 -0.190) 0.203 10.506 ( 0.464 -5.177 0.075) 5.198 10.571 ( 0.127 -4.300 -0.017) 4.302 11.158 ( 0.091 -1.466 0.191) 1.481 11.792 ( 0.824 -3.027 0.094) 3.139 11.940 ( -0.021 -1.887 1.347) 2.318 12.103 ( 1.257 -1.129 0.173) 1.698 12.139 ( -0.391 0.283 -0.968) 1.082 12.148 ( -0.022 -0.581 -0.134) 0.597 12.237 ( 0.025 -1.807 0.020) 1.808 12.302 ( 0.883 -2.403 -0.160) 2.565 12.340 ( -1.124 -0.523 -0.319) 1.281 12.420 ( -0.067 -1.175 0.651) 1.345 12.499 ( -0.457 -2.728 0.304) 2.783 12.535 ( 0.229 -0.506 0.586) 0.807 12.696 ( 1.771 -0.892 0.612) 2.075 12.757 ( -1.835 -3.141 0.233) 3.645 12.848 ( 0.469 -0.602 -0.053) 0.765 12.890 ( -1.168 -0.063 -0.564) 1.299 13.049 ( 1.889 0.491 0.586) 2.038 13.080 ( 0.469 -0.058 0.026) 0.474 13.119 ( -1.127 0.334 -0.475) 1.267 13.177 ( -1.423 -1.282 -1.371) 2.356 13.254 ( 0.771 0.133 0.627) 1.003 13.414 ( 0.229 -1.125 -0.407) 1.218 13.439 ( -0.183 0.197 0.381) 0.467 13.557 ( -0.553 -0.450 -0.750) 1.035 13.624 ( -0.128 0.674 -0.196) 0.714 13.705 ( -1.593 -2.713 -0.039) 3.147 13.998 ( -0.429 0.920 0.437) 1.105 14.103 ( 1.251 -0.200 0.381) 1.323 14.175 ( 2.237 0.554 0.718) 2.414 14.229 ( 1.665 0.587 0.886) 1.975 14.351 ( -0.793 -1.002 -4.438) 4.619 14.373 ( -3.553 0.880 -3.827) 5.295 14.462 ( -1.604 0.075 -0.665) 1.738 14.493 ( -0.867 -0.715 -0.382) 1.187 14.697 ( 1.281 2.730 3.434) 4.570 14.839 ( 2.180 0.652 3.204) 3.930 ======================= Grid point 15 (11/78) ======================= q-point: (-0.25 0.12 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( -11.227 25.007 -10.879) 29.492 1.923 ( 0.441 31.509 -3.613) 31.719 2.345 ( 1.783 7.923 4.092) 9.094 2.588 ( -2.735 12.023 0.680) 12.349 2.596 ( 5.474 0.634 8.034) 9.742 2.721 ( -0.266 3.416 -11.108) 11.624 2.826 ( -9.092 7.265 -3.317) 12.101 2.882 ( -0.751 0.431 2.249) 2.410 2.976 ( 5.712 12.187 4.021) 14.047 3.111 ( 2.194 3.544 5.498) 6.899 3.125 ( -2.235 7.197 -4.448) 8.751 3.262 ( 2.632 4.411 2.591) 5.753 3.397 ( -5.210 1.930 -3.400) 6.513 3.415 ( -2.514 2.360 -0.511) 3.486 3.620 ( -5.267 3.392 -3.533) 7.192 3.649 ( -1.910 20.026 -2.101) 20.226 3.688 ( 1.475 9.605 1.507) 9.834 3.792 ( 0.033 7.351 3.087) 7.973 3.869 ( -0.207 10.359 2.496) 10.658 3.906 ( -3.410 11.479 -6.027) 13.406 4.025 ( -1.832 11.314 -0.288) 11.465 4.064 ( -2.885 14.059 -0.206) 14.354 4.156 ( -6.091 6.888 -2.613) 9.559 4.216 ( 0.431 8.608 0.744) 8.650 4.243 ( -1.316 10.812 -0.493) 10.902 4.318 ( -4.152 9.484 -0.956) 10.397 4.328 ( 2.037 9.178 1.392) 9.504 4.398 ( -0.063 12.932 -0.441) 12.939 4.517 ( -3.215 4.513 -4.024) 6.848 4.568 ( 0.479 15.081 -0.096) 15.089 4.632 ( -2.531 8.747 -0.351) 9.113 4.684 ( -0.861 3.979 2.247) 4.650 4.880 ( -3.876 5.754 -0.172) 6.940 5.014 ( -0.667 1.174 0.225) 1.369 5.086 ( 2.943 -6.655 1.962) 7.536 5.275 ( 0.894 -3.418 2.646) 4.414 5.428 ( 3.637 0.771 3.914) 5.398 5.453 ( 6.961 1.349 15.317) 16.879 5.690 ( -1.851 -3.361 2.063) 4.357 5.789 ( -0.215 -1.420 -2.715) 3.071 5.941 ( 5.797 -3.127 9.895) 11.886 6.008 ( -3.162 -1.118 -6.084) 6.947 6.329 ( 0.083 -1.544 -0.726) 1.708 6.450 ( 2.537 -2.786 1.928) 4.232 6.663 ( -4.719 3.804 -8.958) 10.816 6.974 ( -3.820 -6.259 -7.040) 10.165 7.180 ( -0.098 3.156 -0.619) 3.218 7.618 ( -0.173 -0.911 -0.319) 0.981 7.967 ( 0.183 -0.987 0.086) 1.007 8.022 ( 1.544 -0.979 -0.005) 1.828 8.123 ( -2.581 -0.519 0.273) 2.646 8.259 ( -0.574 -4.977 -2.283) 5.505 8.357 ( 0.504 0.081 0.666) 0.839 8.681 ( 0.064 0.318 -0.572) 0.658 8.699 ( 2.028 -0.398 5.105) 5.507 8.759 ( -0.761 -0.099 -2.486) 2.601 8.791 ( 0.010 -1.057 0.595) 1.213 8.818 ( 0.015 1.049 -0.593) 1.205 9.064 ( 0.995 -3.273 0.312) 3.435 9.072 ( 0.243 -2.696 -0.074) 2.708 9.216 ( -0.576 2.223 -0.351) 2.323 9.256 ( 0.919 -0.258 0.742) 1.209 9.335 ( 0.015 -2.254 -0.713) 2.364 9.421 ( 0.208 -0.607 0.224) 0.680 9.654 ( 0.015 -0.787 -0.016) 0.788 9.862 ( 0.529 -3.989 0.132) 4.026 9.910 ( 0.345 -2.304 -0.082) 2.331 10.111 ( -0.017 -0.695 0.276) 0.748 10.199 ( -0.018 -0.626 -0.092) 0.633 10.214 ( 1.685 -9.953 0.278) 10.098 10.698 ( 2.620 -13.393 0.088) 13.647 10.725 ( 1.033 -11.781 -0.028) 11.826 11.220 ( 0.565 -4.907 0.091) 4.940 11.901 ( 2.055 -7.226 0.047) 7.513 11.991 ( 0.564 -2.716 1.784) 3.298 12.127 ( -1.092 -1.056 -1.976) 2.493 12.174 ( 0.436 -4.661 -0.069) 4.682 12.200 ( 1.261 -5.169 0.867) 5.391 12.310 ( 0.320 -3.492 -0.542) 3.548 12.380 ( 1.013 -4.686 0.522) 4.823 12.398 ( 0.551 -8.176 -0.561) 8.214 12.445 ( -0.060 -2.078 0.475) 2.133 12.565 ( 0.046 -4.152 0.311) 4.163 12.571 ( 1.340 -2.614 0.538) 2.986 12.723 ( 1.495 0.271 0.495) 1.598 12.811 ( -0.293 -4.056 -0.157) 4.070 12.846 ( 0.301 0.677 0.197) 0.766 12.898 ( -0.510 -1.682 -0.549) 1.842 13.057 ( 0.878 0.313 0.108) 0.938 13.099 ( 0.188 -0.583 0.716) 0.942 13.106 ( -0.236 -0.779 -0.922) 1.230 13.194 ( -0.831 -2.300 -0.806) 2.575 13.275 ( 0.820 -1.485 0.610) 1.803 13.410 ( 0.233 0.423 -0.451) 0.661 13.479 ( 0.130 -3.313 0.041) 3.316 13.555 ( -0.176 0.242 0.299) 0.423 13.599 ( -0.266 1.691 -0.740) 1.865 13.739 ( -0.239 -1.975 -0.059) 1.990 13.967 ( -0.336 2.004 0.310) 2.055 14.116 ( 1.880 0.748 0.215) 2.035 14.169 ( -0.283 1.004 -0.540) 1.175 14.255 ( 2.496 -0.395 2.537) 3.581 14.314 ( -2.543 1.378 -1.986) 3.509 14.346 ( -2.076 -1.289 -5.185) 5.732 14.458 ( -0.889 -1.388 0.459) 1.711 14.503 ( -0.438 -1.008 -0.055) 1.100 14.671 ( 0.228 1.830 2.123) 2.812 14.865 ( 1.104 -0.705 1.929) 2.332 ======================= Grid point 16 (12/78) ======================= q-point: (-0.12 0.12 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( 0.000 29.481 0.000) 29.481 1.310 ( 0.000 36.819 0.000) 36.819 2.113 ( 0.000 38.329 0.000) 38.329 2.307 ( 0.000 14.543 0.000) 14.543 2.316 ( 0.000 19.866 0.000) 19.866 2.583 ( 0.000 9.288 0.000) 9.288 2.611 ( 0.000 11.406 0.000) 11.406 2.746 ( 0.000 12.703 0.000) 12.703 2.821 ( 0.000 8.574 0.000) 8.574 2.844 ( 0.000 15.270 0.000) 15.270 3.148 ( 0.000 11.102 0.000) 11.102 3.186 ( -0.000 -5.399 -0.000) 5.399 3.365 ( 0.000 7.012 0.000) 7.012 3.374 ( 0.000 21.415 0.000) 21.415 3.389 ( 0.000 0.285 0.000) 0.285 3.435 ( 0.000 1.859 0.000) 1.859 3.511 ( 0.000 7.232 0.000) 7.232 3.563 ( 0.000 10.355 0.000) 10.355 3.674 ( 0.000 9.266 0.000) 9.266 3.752 ( 0.000 15.472 0.000) 15.472 3.779 ( 0.000 18.368 0.000) 18.368 3.817 ( 0.000 5.180 0.000) 5.180 3.924 ( 0.000 10.880 0.000) 10.880 4.023 ( 0.000 6.098 0.000) 6.098 4.057 ( 0.000 12.946 0.000) 12.946 4.106 ( 0.000 10.176 0.000) 10.176 4.179 ( 0.000 15.724 0.000) 15.724 4.211 ( 0.000 8.735 0.000) 8.735 4.307 ( 0.000 8.035 0.000) 8.035 4.400 ( 0.000 4.437 0.000) 4.437 4.483 ( 0.000 1.777 0.000) 1.777 4.730 ( -0.000 -4.467 -0.000) 4.467 4.774 ( 0.000 3.286 0.000) 3.286 4.967 ( 0.000 3.493 0.000) 3.493 5.183 ( -0.000 -0.965 -0.000) 0.965 5.376 ( 0.000 0.560 0.000) 0.560 5.382 ( -0.000 -5.985 -0.000) 5.985 5.583 ( 0.000 3.920 0.000) 3.920 5.691 ( -0.000 -5.195 -0.000) 5.195 5.793 ( -0.000 -0.063 -0.000) 0.063 6.008 ( -0.000 -1.734 -0.000) 1.734 6.026 ( -0.000 -2.082 -0.000) 2.082 6.321 ( 0.000 0.771 0.000) 0.771 6.563 ( -0.000 -5.958 -0.000) 5.958 6.589 ( 0.000 1.064 0.000) 1.064 7.042 ( -0.000 -5.026 -0.000) 5.026 7.103 ( 0.000 4.749 0.000) 4.749 7.635 ( -0.000 -0.972 -0.000) 0.972 7.986 ( -0.000 -0.908 -0.000) 0.908 8.047 ( -0.000 -1.057 -0.000) 1.057 8.131 ( -0.000 -1.366 -0.000) 1.366 8.348 ( -0.000 -5.490 -0.000) 5.490 8.358 ( -0.000 -0.008 -0.000) 0.008 8.666 ( 0.000 1.435 0.000) 1.435 8.717 ( 0.000 0.324 0.000) 0.324 8.754 ( -0.000 -0.335 -0.000) 0.335 8.799 ( 0.000 0.865 0.000) 0.865 8.821 ( -0.000 -1.898 -0.000) 1.898 9.108 ( -0.000 -1.745 -0.000) 1.745 9.118 ( -0.000 -1.375 -0.000) 1.375 9.188 ( 0.000 0.343 0.000) 0.343 9.262 ( 0.000 0.078 0.000) 0.078 9.373 ( -0.000 -1.976 -0.000) 1.976 9.435 ( -0.000 -0.749 -0.000) 0.749 9.668 ( -0.000 -0.801 -0.000) 0.801 9.952 ( -0.000 -5.448 -0.000) 5.448 9.956 ( -0.000 -2.470 -0.000) 2.470 10.110 ( 0.000 0.288 0.000) 0.288 10.213 ( -0.000 -0.984 -0.000) 0.984 10.415 ( -0.000 -10.515 -0.000) 10.515 10.942 ( -0.000 -12.044 -0.000) 12.044 10.973 ( -0.000 -14.383 -0.000) 14.383 11.324 ( -0.000 -6.230 -0.000) 6.230 12.034 ( -0.000 -1.422 -0.000) 1.422 12.057 ( -0.000 -8.198 -0.000) 8.198 12.155 ( -0.000 -3.189 -0.000) 3.189 12.257 ( -0.000 -4.915 -0.000) 4.915 12.339 ( -0.000 -8.529 -0.000) 8.529 12.347 ( -0.000 -1.042 -0.000) 1.042 12.476 ( -0.000 -3.452 -0.000) 3.452 12.478 ( -0.000 -4.713 -0.000) 4.713 12.610 ( -0.000 -12.686 -0.000) 12.686 12.619 ( -0.000 -2.498 -0.000) 2.498 12.648 ( -0.000 -3.934 -0.000) 3.934 12.713 ( 0.000 1.543 0.000) 1.543 12.844 ( -0.000 -0.288 -0.000) 0.288 12.879 ( -0.000 -3.032 -0.000) 3.032 12.927 ( -0.000 -2.245 -0.000) 2.245 13.061 ( -0.000 -0.749 -0.000) 0.749 13.109 ( -0.000 -0.889 -0.000) 0.889 13.125 ( -0.000 -0.808 -0.000) 0.808 13.227 ( -0.000 -1.595 -0.000) 1.595 13.321 ( -0.000 -3.008 -0.000) 3.008 13.408 ( 0.000 0.029 0.000) 0.029 13.539 ( -0.000 -3.216 -0.000) 3.216 13.546 ( 0.000 0.951 0.000) 0.951 13.561 ( 0.000 2.029 0.000) 2.029 13.758 ( -0.000 -0.139 -0.000) 0.139 13.927 ( 0.000 2.494 0.000) 2.494 14.104 ( 0.000 1.963 0.000) 1.963 14.158 ( -0.000 -0.179 -0.000) 0.179 14.254 ( 0.000 2.434 0.000) 2.434 14.294 ( 0.000 0.066 0.000) 0.066 14.339 ( -0.000 -1.860 -0.000) 1.860 14.492 ( -0.000 -2.331 -0.000) 2.331 14.515 ( -0.000 -0.806 -0.000) 0.806 14.655 ( 0.000 0.541 0.000) 0.541 14.895 ( -0.000 -1.664 -0.000) 1.664 ======================= Grid point 19 (13/78) ======================= q-point: ( 0.25 0.25 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( 20.295 0.000 7.300) 21.568 1.335 ( 26.317 0.000 4.811) 26.753 2.143 ( 9.643 0.000 -6.544) 11.654 2.239 ( 15.996 0.000 -15.895) 22.550 2.324 ( 12.791 0.000 8.546) 15.384 2.422 ( 10.279 0.000 13.785) 17.196 2.723 ( 8.611 0.000 2.095) 8.862 2.764 ( 7.630 0.000 -1.245) 7.731 2.883 ( 6.915 0.000 1.918) 7.176 2.980 ( 3.900 0.000 1.187) 4.076 3.025 ( 19.396 0.000 7.424) 20.768 3.046 ( 12.207 0.000 4.838) 13.131 3.098 ( 6.580 0.000 0.138) 6.581 3.208 ( 2.209 0.000 -0.844) 2.365 3.326 ( 1.721 0.000 1.568) 2.328 3.342 ( 5.070 0.000 -8.822) 10.175 3.387 ( 7.433 0.000 -5.559) 9.282 3.555 ( 3.499 0.000 -3.220) 4.755 3.639 ( 3.449 0.000 -2.266) 4.126 3.741 ( 1.983 0.000 -8.195) 8.431 3.800 ( 14.467 0.000 -6.086) 15.695 3.871 ( 7.574 0.000 3.715) 8.436 3.980 ( 8.928 0.000 1.538) 9.059 4.025 ( -1.065 -0.000 -2.630) 2.837 4.081 ( 5.882 0.000 14.736) 15.866 4.095 ( 6.717 0.000 3.974) 7.805 4.175 ( 8.797 0.000 4.278) 9.782 4.226 ( 14.992 0.000 4.066) 15.534 4.503 ( 8.697 0.000 -0.197) 8.699 4.537 ( 5.909 0.000 3.411) 6.823 4.626 ( 13.619 0.000 3.238) 13.998 4.650 ( -9.162 -0.000 -16.972) 19.287 4.809 ( -1.313 -0.000 -3.291) 3.544 4.974 ( -3.261 -0.000 -9.324) 9.878 5.079 ( 8.352 0.000 -5.178) 9.827 5.151 ( 7.174 0.000 7.444) 10.338 5.164 ( 1.734 0.000 1.076) 2.040 5.631 ( -3.526 -0.000 -4.988) 6.109 5.668 ( 4.498 0.000 -0.574) 4.535 5.888 ( -0.155 -0.000 -7.070) 7.072 5.918 ( -4.017 -0.000 4.266) 5.860 6.111 ( -1.661 -0.000 -1.613) 2.315 6.401 ( 1.074 0.000 1.333) 1.712 6.601 ( -0.630 -0.000 1.676) 1.791 6.739 ( 1.698 0.000 5.224) 5.493 7.023 ( 1.538 0.000 2.803) 3.197 7.400 ( 0.843 0.000 6.850) 6.902 7.679 ( 1.739 0.000 -1.635) 2.387 7.965 ( -0.733 -0.000 -0.339) 0.808 8.113 ( 1.167 0.000 1.918) 2.245 8.194 ( 2.167 0.000 0.147) 2.172 8.309 ( -1.898 -0.000 -2.902) 3.468 8.411 ( -2.792 -0.000 -0.348) 2.814 8.641 ( -0.447 -0.000 -2.171) 2.216 8.719 ( 1.205 0.000 1.937) 2.281 8.726 ( -1.832 -0.000 1.358) 2.281 8.776 ( -0.799 -0.000 0.299) 0.853 8.802 ( -1.234 -0.000 -3.003) 3.247 9.050 ( -3.212 -0.000 -0.776) 3.305 9.111 ( -1.201 -0.000 1.008) 1.568 9.205 ( 0.177 0.000 0.225) 0.286 9.244 ( 0.557 0.000 0.137) 0.574 9.395 ( -1.179 -0.000 1.275) 1.737 9.439 ( -0.902 -0.000 -0.874) 1.256 9.685 ( -0.667 -0.000 -0.251) 0.713 9.929 ( -2.505 -0.000 0.350) 2.529 9.996 ( -3.217 -0.000 -0.410) 3.243 10.125 ( 0.493 0.000 0.157) 0.518 10.228 ( -0.284 -0.000 -0.122) 0.309 10.382 ( -9.833 -0.000 -1.317) 9.921 10.906 ( -11.213 -0.000 0.093) 11.213 11.016 ( -10.453 -0.000 -0.225) 10.456 11.375 ( -3.386 -0.000 0.248) 3.395 11.879 ( -5.105 -0.000 -1.544) 5.334 12.041 ( -6.949 -0.000 -0.045) 6.949 12.294 ( 0.676 0.000 0.960) 1.175 12.295 ( -1.550 -0.000 1.344) 2.052 12.359 ( -1.365 -0.000 -0.161) 1.374 12.469 ( -5.880 -0.000 -0.731) 5.926 12.478 ( -5.436 -0.000 -1.817) 5.731 12.488 ( -1.945 -0.000 1.609) 2.524 12.522 ( -2.785 -0.000 -0.370) 2.810 12.558 ( -1.611 -0.000 -0.286) 1.636 12.658 ( -2.171 -0.000 -0.720) 2.287 12.722 ( -4.786 -0.000 1.132) 4.918 12.760 ( -6.057 -0.000 0.387) 6.070 12.769 ( -7.128 -0.000 -0.097) 7.129 12.947 ( -0.679 -0.000 0.361) 0.769 13.088 ( 1.025 0.000 -0.245) 1.054 13.118 ( -1.075 -0.000 -0.020) 1.075 13.153 ( -0.678 -0.000 0.002) 0.678 13.258 ( 1.251 0.000 0.769) 1.468 13.353 ( -1.360 -0.000 -0.297) 1.392 13.389 ( -1.592 -0.000 0.111) 1.596 13.484 ( 0.606 0.000 -1.302) 1.436 13.555 ( 0.563 0.000 0.429) 0.708 13.593 ( -5.804 -0.000 0.513) 5.827 13.600 ( -0.549 -0.000 0.548) 0.776 13.854 ( -0.205 -0.000 0.345) 0.401 13.995 ( -0.984 -0.000 0.302) 1.030 14.171 ( 2.855 0.000 1.361) 3.163 14.275 ( 1.618 0.000 1.078) 1.944 14.434 ( 1.533 0.000 -4.206) 4.477 14.495 ( -0.786 -0.000 -1.098) 1.350 14.517 ( -0.339 -0.000 -0.407) 0.530 14.560 ( -0.438 -0.000 -1.799) 1.851 14.712 ( 6.613 0.000 2.985) 7.256 14.924 ( 1.853 0.000 0.944) 2.080 ======================= Grid point 20 (14/78) ======================= q-point: ( 0.38 0.25 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 13.080 -7.970 6.295) 16.560 1.875 ( 17.492 -25.531 1.612) 30.991 2.243 ( 12.782 -1.701 -0.913) 12.927 2.371 ( 4.036 -2.348 -4.990) 6.834 2.515 ( 8.821 -13.968 -10.171) 19.400 2.721 ( 8.709 -14.902 10.994) 20.465 2.770 ( -1.297 -1.199 -4.222) 4.577 2.904 ( 6.528 -2.564 3.050) 7.648 2.952 ( 4.462 -4.501 4.532) 7.792 3.076 ( 0.155 0.574 2.803) 2.866 3.132 ( 6.896 -10.154 -2.709) 12.570 3.246 ( 11.604 -4.825 4.991) 13.522 3.280 ( 1.477 -8.669 -1.954) 9.008 3.385 ( 3.721 -10.609 -3.379) 11.740 3.437 ( 6.133 -4.388 -6.199) 9.762 3.457 ( 3.276 -7.983 -0.587) 8.649 3.507 ( 7.299 -7.882 0.689) 10.765 3.633 ( 12.695 -5.812 -6.180) 15.269 3.744 ( 2.327 -1.394 -2.643) 3.788 3.783 ( 0.115 -11.915 -0.214) 11.918 3.844 ( 7.348 5.018 -2.911) 9.362 3.926 ( 4.865 1.277 -2.075) 5.441 3.932 ( 1.763 2.307 4.969) 5.755 4.131 ( 4.594 -1.165 4.893) 6.812 4.182 ( 7.408 -1.826 3.314) 8.318 4.231 ( 12.828 -1.826 6.599) 14.541 4.331 ( 4.839 -6.087 2.203) 8.082 4.410 ( 9.379 -1.409 -10.477) 14.132 4.502 ( 3.590 -4.150 -2.669) 6.102 4.558 ( 3.649 -0.365 -6.348) 7.331 4.720 ( 10.490 0.538 9.690) 14.290 4.767 ( 4.569 -0.867 3.452) 5.792 4.838 ( 5.619 -3.776 3.051) 7.426 4.877 ( -1.489 -0.243 -9.061) 9.186 5.169 ( 7.265 0.541 -3.730) 8.185 5.207 ( 4.711 -0.878 2.196) 5.271 5.276 ( 11.516 0.261 11.691) 16.412 5.577 ( -4.376 -0.014 -3.719) 5.743 5.674 ( 3.623 3.548 -3.064) 5.925 5.818 ( 1.053 6.883 -0.827) 7.012 5.885 ( -4.965 -0.197 2.360) 5.501 6.082 ( -2.325 0.277 -2.399) 3.352 6.396 ( 0.435 2.157 0.117) 2.204 6.583 ( 1.496 2.911 5.615) 6.499 6.767 ( -2.800 -2.345 -0.432) 3.677 7.050 ( 1.057 -0.401 1.291) 1.716 7.378 ( -3.552 2.277 -1.004) 4.337 7.688 ( 2.110 0.745 -1.386) 2.632 7.954 ( -0.937 0.173 -0.391) 1.030 8.103 ( 0.835 2.361 0.910) 2.664 8.233 ( 2.042 -1.243 0.317) 2.412 8.273 ( -1.446 1.024 -2.083) 2.735 8.368 ( -2.481 1.811 0.097) 3.073 8.637 ( 0.525 -0.121 -1.160) 1.279 8.707 ( -1.520 0.501 1.957) 2.528 8.724 ( -0.923 0.347 1.000) 1.404 8.772 ( -0.636 -0.217 0.168) 0.693 8.786 ( -0.114 -0.206 -2.524) 2.535 9.012 ( -3.310 0.386 -0.633) 3.392 9.099 ( -0.977 0.542 0.700) 1.319 9.210 ( 0.762 0.015 -0.110) 0.770 9.248 ( 0.732 0.320 0.511) 0.949 9.375 ( -1.689 1.091 0.645) 2.111 9.421 ( -0.767 0.630 0.053) 0.994 9.668 ( -1.264 0.610 -0.482) 1.484 9.895 ( -2.127 1.399 0.962) 2.721 9.945 ( -2.413 1.799 -1.007) 3.174 10.127 ( -0.265 0.109 0.341) 0.445 10.213 ( -2.203 1.428 -0.491) 2.671 10.252 ( -6.220 3.330 -0.215) 7.059 10.755 ( -9.363 4.589 -0.124) 10.428 10.852 ( -9.940 6.262 0.013) 11.748 11.309 ( -2.879 3.576 0.010) 4.591 11.838 ( -4.006 -0.853 -0.489) 4.124 11.949 ( -6.089 2.473 0.123) 6.573 12.238 ( -0.502 3.386 1.071) 3.586 12.294 ( -1.571 4.333 -0.503) 4.636 12.314 ( -0.789 1.165 0.457) 1.480 12.390 ( -5.779 1.615 -0.364) 6.012 12.424 ( -3.286 1.181 -0.300) 3.505 12.441 ( -1.824 2.835 1.570) 3.718 12.473 ( -2.113 1.747 -0.237) 2.752 12.552 ( -1.458 0.939 -0.722) 1.878 12.617 ( -2.074 1.551 -0.202) 2.598 12.654 ( -4.690 3.301 -0.041) 5.736 12.683 ( -6.512 -1.426 0.720) 6.705 12.735 ( -2.899 -2.071 -0.422) 3.587 12.938 ( -0.671 0.427 0.310) 0.853 13.091 ( 0.123 1.120 0.091) 1.131 13.103 ( 0.349 0.224 -0.071) 0.420 13.141 ( -0.637 0.415 -0.158) 0.776 13.265 ( 0.759 1.333 -0.007) 1.533 13.314 ( -1.212 2.287 1.194) 2.851 13.369 ( -1.298 0.049 -0.937) 1.601 13.500 ( 0.223 -1.344 -1.343) 1.912 13.563 ( -4.587 -3.103 -0.213) 5.542 13.573 ( -0.350 1.459 0.620) 1.623 13.587 ( -0.432 -0.987 0.750) 1.312 13.877 ( -0.214 -2.880 -0.575) 2.944 14.010 ( -0.038 -1.782 0.999) 2.043 14.206 ( 3.395 0.235 2.034) 3.965 14.280 ( 1.937 2.058 2.195) 3.578 14.410 ( -1.143 0.975 -4.903) 5.128 14.484 ( -0.743 -0.035 -2.244) 2.365 14.497 ( -1.133 0.878 -2.822) 3.165 14.530 ( -1.397 1.250 -2.695) 3.283 14.779 ( 6.337 1.396 4.575) 7.940 14.932 ( 2.560 2.308 2.665) 4.357 ======================= Grid point 21 (15/78) ======================= q-point: ( 0.50 0.25 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( 6.454 -13.551 3.396) 15.389 2.307 ( 8.831 -6.468 -0.610) 10.963 2.434 ( 6.189 -3.405 5.121) 8.725 2.503 ( 5.099 -8.955 -5.897) 11.872 2.699 ( -1.041 2.104 -4.683) 5.239 2.820 ( 6.356 -10.018 -8.915) 14.840 2.907 ( 0.877 2.801 1.117) 3.141 3.070 ( 6.313 -6.964 9.291) 13.217 3.097 ( 3.641 -8.395 2.062) 9.380 3.188 ( 5.320 -10.559 1.907) 11.977 3.304 ( 3.061 0.452 -7.481) 8.096 3.367 ( 7.038 2.547 2.007) 7.749 3.422 ( 2.027 -0.656 -2.698) 3.438 3.465 ( 0.634 -1.971 -4.621) 5.064 3.584 ( -2.377 -7.173 -0.138) 7.558 3.680 ( 3.000 -12.129 -3.900) 13.089 3.708 ( -2.065 -14.583 -0.666) 14.743 3.737 ( -0.544 -5.344 -1.373) 5.545 3.841 ( 2.212 0.414 2.181) 3.133 3.893 ( 3.662 -6.712 0.549) 7.666 3.972 ( 0.370 -10.388 -3.584) 10.995 4.046 ( 6.955 -16.689 -0.037) 18.080 4.090 ( 0.412 -6.348 2.878) 6.982 4.153 ( 0.040 -1.442 3.113) 3.431 4.264 ( 1.005 -2.188 -0.726) 2.515 4.396 ( 7.509 -1.988 4.075) 8.772 4.439 ( 8.282 -2.594 -7.018) 11.161 4.491 ( 1.786 -0.968 -3.008) 3.630 4.566 ( 2.882 -1.195 -1.899) 3.652 4.704 ( 6.463 -5.696 4.150) 9.563 4.774 ( 4.515 -6.799 -6.943) 10.715 4.850 ( -1.194 -2.787 -2.460) 3.904 4.960 ( 9.891 -2.525 15.357) 18.440 5.003 ( 6.796 -1.276 4.761) 8.395 5.176 ( 3.127 2.981 -4.542) 6.269 5.255 ( 5.437 3.373 6.401) 9.051 5.412 ( 9.152 1.918 9.203) 13.119 5.525 ( -3.884 -0.125 -2.252) 4.492 5.583 ( 2.503 7.289 -6.742) 10.240 5.732 ( 3.685 4.660 6.420) 8.747 5.838 ( -4.842 0.464 1.219) 5.015 6.054 ( 0.290 0.397 -0.086) 0.499 6.332 ( -0.406 5.001 0.515) 5.044 6.572 ( 2.556 3.660 5.838) 7.349 6.755 ( -6.478 -3.176 -5.338) 8.975 7.047 ( -1.450 1.677 -2.377) 3.250 7.260 ( -5.684 2.811 -6.101) 8.800 7.679 ( 1.335 1.981 -1.324) 2.732 7.944 ( -0.311 0.091 0.080) 0.333 8.070 ( 1.355 2.726 0.755) 3.136 8.209 ( -2.063 1.742 -2.216) 3.493 8.272 ( -1.281 2.119 1.621) 2.960 8.318 ( 1.100 0.190 -0.620) 1.277 8.650 ( 1.382 -0.529 -0.276) 1.506 8.686 ( -1.375 0.962 2.588) 3.085 8.718 ( -0.899 -0.903 0.215) 1.292 8.773 ( -0.244 -0.428 -0.244) 0.550 8.789 ( -0.347 -0.978 -1.261) 1.633 8.971 ( -2.311 0.663 -0.033) 2.405 9.074 ( -0.527 1.576 0.194) 1.673 9.217 ( 1.170 0.220 0.436) 1.268 9.256 ( 0.291 -0.737 -0.612) 1.001 9.332 ( -1.565 1.644 0.010) 2.269 9.412 ( 0.115 0.244 1.023) 1.058 9.642 ( -1.263 0.483 -0.531) 1.453 9.848 ( -1.331 2.021 0.590) 2.491 9.896 ( -0.919 1.508 -0.501) 1.836 10.071 ( -5.812 3.684 -0.030) 6.881 10.138 ( 0.477 1.115 0.367) 1.268 10.212 ( -0.132 0.845 -0.290) 0.903 10.592 ( -4.726 5.560 -0.091) 7.298 10.640 ( -6.688 7.017 0.062) 9.694 11.216 ( -1.672 3.916 0.022) 4.258 11.806 ( -1.811 1.909 0.111) 2.634 11.877 ( -3.865 -1.125 0.386) 4.044 12.181 ( 0.425 3.285 0.742) 3.394 12.205 ( -0.694 3.945 0.021) 4.005 12.238 ( -0.848 4.990 -1.419) 5.257 12.317 ( -2.610 2.426 1.093) 3.727 12.356 ( -2.582 2.989 -0.762) 4.023 12.390 ( -2.807 2.116 1.844) 3.970 12.410 ( -0.601 3.035 -0.816) 3.199 12.478 ( -1.453 2.237 0.416) 2.700 12.566 ( -1.279 1.969 0.165) 2.354 12.637 ( -0.609 -2.578 -0.080) 2.650 12.658 ( -4.510 -2.235 0.014) 5.033 12.764 ( -1.172 -3.234 -0.439) 3.468 12.921 ( -0.597 0.887 0.192) 1.087 13.073 ( 0.685 1.048 0.380) 1.308 13.104 ( 0.687 0.451 -0.529) 0.977 13.127 ( -0.911 0.190 -0.004) 0.930 13.215 ( -0.759 3.385 0.192) 3.474 13.282 ( -0.051 1.318 -0.032) 1.319 13.364 ( -0.605 -0.831 -0.122) 1.035 13.514 ( -0.262 -0.083 -0.999) 1.036 13.530 ( -0.517 1.784 -0.225) 1.871 13.584 ( -3.500 -3.889 0.100) 5.234 13.613 ( -0.143 -1.352 0.317) 1.396 13.938 ( 0.248 -3.943 -0.542) 3.988 14.053 ( 0.588 -2.308 1.016) 2.589 14.236 ( 3.182 1.662 2.953) 4.649 14.265 ( 2.335 2.098 2.305) 3.894 14.361 ( -1.463 1.256 -4.289) 4.703 14.434 ( -2.337 2.422 -5.884) 6.778 14.468 ( -1.733 -0.052 -2.344) 2.916 14.493 ( -1.287 0.729 -0.509) 1.564 14.809 ( 4.133 2.963 3.801) 6.349 14.915 ( 2.365 3.205 3.030) 5.005 ======================= Grid point 22 (16/78) ======================= q-point: (-0.38 0.25 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( 3.636 -13.074 2.201) 13.747 2.376 ( -4.301 13.484 -5.215) 15.084 2.443 ( 3.047 -2.997 -1.715) 4.606 2.591 ( 4.735 -4.759 8.275) 10.655 2.678 ( 1.579 1.122 -5.220) 5.568 2.810 ( -1.633 3.007 -1.892) 3.910 2.959 ( 4.090 5.222 -3.973) 7.732 3.145 ( 4.358 9.421 4.429) 11.285 3.229 ( 0.667 7.053 -1.742) 7.296 3.266 ( 1.377 3.024 -2.988) 4.469 3.289 ( 7.817 0.364 0.116) 7.826 3.338 ( 6.442 -1.516 2.656) 7.131 3.449 ( -2.208 1.429 -3.433) 4.324 3.543 ( -9.319 0.213 0.816) 9.357 3.599 ( 5.931 -5.677 1.182) 8.295 3.691 ( -4.421 -1.193 -3.595) 5.822 3.855 ( 1.423 -7.234 -0.626) 7.400 3.885 ( -2.176 -4.596 2.760) 5.786 4.020 ( 3.729 -6.589 -2.095) 7.856 4.075 ( 0.608 -5.926 0.263) 5.962 4.102 ( -3.044 -5.069 -2.174) 6.300 4.144 ( -2.104 -11.046 -1.313) 11.321 4.262 ( 0.821 -4.331 1.418) 4.631 4.308 ( -1.370 -5.118 -0.257) 5.305 4.372 ( 2.479 -10.016 1.243) 10.393 4.431 ( -1.234 2.168 -2.140) 3.287 4.467 ( 1.151 -0.390 2.258) 2.564 4.522 ( 2.167 -0.136 -3.294) 3.945 4.634 ( 3.727 -0.327 0.393) 3.762 4.778 ( -3.785 3.434 0.380) 5.125 4.863 ( -0.608 -1.813 -1.832) 2.648 4.905 ( 3.047 2.444 -0.113) 3.908 5.018 ( 1.343 4.351 1.542) 4.807 5.044 ( 1.619 2.124 3.323) 4.263 5.116 ( 0.292 2.005 -3.755) 4.267 5.304 ( 6.745 0.414 12.461) 14.175 5.390 ( 4.067 6.962 2.426) 8.420 5.501 ( -0.460 -0.980 -2.223) 2.473 5.572 ( 3.933 -0.820 3.693) 5.457 5.754 ( 0.295 -3.134 -0.602) 3.205 5.796 ( -2.407 0.100 0.711) 2.512 6.101 ( 6.488 1.319 10.895) 12.748 6.237 ( -1.032 3.193 -3.078) 4.554 6.534 ( 2.118 3.689 4.270) 6.027 6.718 ( -8.496 -2.097 -10.505) 13.672 6.914 ( -4.452 4.882 -6.714) 9.420 7.213 ( -0.265 -0.974 -0.273) 1.046 7.641 ( 0.181 2.414 -1.025) 2.629 7.944 ( 0.043 -0.179 0.177) 0.256 8.045 ( 1.773 2.138 0.566) 2.834 8.153 ( -1.841 1.869 -0.986) 2.802 8.194 ( -2.292 2.395 -0.572) 3.364 8.350 ( 1.383 -0.741 0.109) 1.573 8.672 ( -0.216 -0.376 -0.434) 0.614 8.680 ( 1.142 -0.474 3.364) 3.585 8.732 ( -0.564 -1.203 -0.619) 1.465 8.776 ( -0.383 -0.384 -0.267) 0.604 8.808 ( -0.379 -1.801 -0.496) 1.907 8.959 ( -0.351 -1.081 0.379) 1.198 9.043 ( -0.018 1.294 -0.094) 1.297 9.234 ( 1.217 -0.442 1.002) 1.637 9.270 ( -0.377 -1.050 -1.361) 1.760 9.296 ( -0.729 1.186 0.007) 1.392 9.415 ( 0.297 0.138 0.537) 0.629 9.631 ( -0.418 -0.427 -0.204) 0.631 9.813 ( -0.355 0.969 0.117) 1.039 9.874 ( -0.210 0.309 -0.010) 0.374 9.990 ( -1.637 0.227 0.085) 1.655 10.133 ( 0.161 0.209 0.208) 0.336 10.198 ( -0.059 0.535 -0.194) 0.572 10.476 ( -1.512 2.556 0.050) 2.970 10.533 ( -1.619 0.621 -0.028) 1.735 11.156 ( -0.448 1.479 0.095) 1.548 11.768 ( -0.379 0.187 0.064) 0.427 11.896 ( -1.012 -2.890 0.602) 3.121 12.134 ( 0.637 3.152 0.769) 3.307 12.154 ( -0.112 1.491 0.384) 1.544 12.158 ( 0.262 2.402 -1.556) 2.874 12.256 ( -0.835 4.206 -0.043) 4.289 12.284 ( -0.450 -0.145 -0.015) 0.473 12.325 ( -2.071 1.081 0.096) 2.338 12.412 ( 1.353 -0.988 0.403) 1.723 12.451 ( -1.984 -0.612 0.130) 2.081 12.537 ( -0.180 0.504 0.287) 0.607 12.674 ( -2.005 -3.468 -0.027) 4.006 12.687 ( 0.770 -2.358 0.490) 2.529 12.811 ( -0.378 -3.012 -0.416) 3.064 12.896 ( -0.499 1.334 -0.006) 1.424 13.075 ( 1.325 0.143 0.421) 1.398 13.097 ( 0.787 0.910 -0.379) 1.262 13.114 ( -1.125 0.329 0.265) 1.202 13.158 ( -1.098 1.643 -0.542) 2.049 13.264 ( 0.008 0.588 -0.135) 0.603 13.383 ( 0.032 -1.637 0.067) 1.638 13.472 ( -0.024 2.773 0.264) 2.786 13.531 ( -0.747 -1.297 -1.113) 1.865 13.626 ( -0.770 -2.112 0.223) 2.259 13.628 ( -0.901 -2.099 -0.088) 2.286 13.993 ( 0.095 -1.691 -0.054) 1.694 14.099 ( 0.814 -1.740 0.650) 2.028 14.229 ( 2.397 2.594 2.603) 4.388 14.268 ( 1.265 1.496 1.246) 2.322 14.327 ( 0.207 0.092 -3.383) 3.391 14.351 ( -2.777 1.644 -3.961) 5.109 14.443 ( -1.863 -0.037 -1.179) 2.205 14.475 ( -0.770 -0.045 -0.138) 0.784 14.782 ( 1.490 4.077 2.085) 4.816 14.894 ( 1.509 2.296 1.987) 3.391 ======================= Grid point 23 (17/78) ======================= q-point: (-0.25 0.25 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( 0.000 23.193 0.000) 23.193 2.378 ( -0.000 -6.177 -0.000) 6.177 2.390 ( 0.000 17.123 0.000) 17.123 2.667 ( -0.000 -0.673 -0.000) 0.673 2.726 ( -0.000 -2.346 -0.000) 2.346 2.751 ( -0.000 -0.087 -0.000) 0.087 2.752 ( 0.000 9.176 0.000) 9.176 2.987 ( 0.000 12.033 0.000) 12.033 3.172 ( 0.000 4.038 0.000) 4.038 3.174 ( 0.000 3.998 0.000) 3.998 3.299 ( 0.000 10.216 0.000) 10.216 3.370 ( 0.000 4.472 0.000) 4.472 3.378 ( 0.000 0.826 0.000) 0.826 3.386 ( 0.000 0.670 0.000) 0.670 3.611 ( 0.000 1.734 0.000) 1.734 3.759 ( -0.000 -1.309 -0.000) 1.309 3.906 ( 0.000 2.359 0.000) 2.359 3.965 ( -0.000 -0.346 -0.000) 0.346 3.974 ( 0.000 6.380 0.000) 6.380 4.084 ( 0.000 11.791 0.000) 11.791 4.128 ( -0.000 -0.942 -0.000) 0.942 4.240 ( 0.000 3.561 0.000) 3.561 4.275 ( 0.000 11.920 0.000) 11.920 4.322 ( 0.000 10.707 0.000) 10.707 4.353 ( 0.000 4.740 0.000) 4.740 4.373 ( -0.000 -6.223 -0.000) 6.223 4.455 ( 0.000 2.292 0.000) 2.292 4.459 ( 0.000 2.770 0.000) 2.770 4.655 ( 0.000 3.947 0.000) 3.947 4.713 ( -0.000 -1.475 -0.000) 1.475 4.741 ( 0.000 15.139 0.000) 15.139 4.867 ( 0.000 4.861 0.000) 4.861 4.961 ( 0.000 3.433 0.000) 3.433 5.024 ( 0.000 0.661 0.000) 0.661 5.042 ( 0.000 4.668 0.000) 4.668 5.267 ( 0.000 3.593 0.000) 3.593 5.457 ( -0.000 -5.930 -0.000) 5.930 5.496 ( 0.000 1.867 0.000) 1.867 5.641 ( -0.000 -2.666 -0.000) 2.666 5.772 ( 0.000 0.478 0.000) 0.478 5.860 ( -0.000 -7.510 -0.000) 7.510 6.067 ( 0.000 6.296 0.000) 6.296 6.268 ( -0.000 -4.890 -0.000) 4.890 6.508 ( 0.000 5.560 0.000) 5.560 6.628 ( -0.000 -1.475 -0.000) 1.475 6.861 ( -0.000 -1.804 -0.000) 1.804 7.220 ( 0.000 0.958 0.000) 0.958 7.611 ( 0.000 0.581 0.000) 0.581 7.952 ( -0.000 -0.729 -0.000) 0.729 8.031 ( 0.000 0.814 0.000) 0.814 8.110 ( 0.000 0.967 0.000) 0.967 8.182 ( -0.000 -2.372 -0.000) 2.372 8.363 ( -0.000 -0.036 -0.000) 0.036 8.677 ( -0.000 -0.408 -0.000) 0.408 8.717 ( -0.000 -1.615 -0.000) 1.615 8.733 ( 0.000 0.063 0.000) 0.063 8.781 ( -0.000 -0.413 -0.000) 0.413 8.826 ( -0.000 -0.308 -0.000) 0.308 9.001 ( -0.000 -3.582 -0.000) 3.582 9.041 ( -0.000 -1.101 -0.000) 1.101 9.254 ( -0.000 -0.683 -0.000) 0.683 9.255 ( 0.000 2.201 0.000) 2.201 9.297 ( -0.000 -1.708 -0.000) 1.708 9.416 ( -0.000 -0.107 -0.000) 0.107 9.641 ( -0.000 -0.715 -0.000) 0.715 9.815 ( -0.000 -1.486 -0.000) 1.486 9.880 ( -0.000 -1.189 -0.000) 1.189 10.039 ( -0.000 -6.135 -0.000) 6.135 10.135 ( -0.000 -0.538 -0.000) 0.538 10.193 ( -0.000 -0.013 -0.000) 0.013 10.513 ( -0.000 -7.484 -0.000) 7.484 10.573 ( -0.000 -5.955 -0.000) 5.955 11.160 ( -0.000 -2.056 -0.000) 2.056 11.803 ( -0.000 -4.340 -0.000) 4.340 11.946 ( -0.000 -3.008 -0.000) 3.008 12.117 ( -0.000 -1.301 -0.000) 1.301 12.124 ( 0.000 1.604 0.000) 1.604 12.155 ( -0.000 -1.403 -0.000) 1.403 12.241 ( -0.000 -3.088 -0.000) 3.088 12.315 ( -0.000 -1.485 -0.000) 1.485 12.316 ( -0.000 -3.247 -0.000) 3.247 12.428 ( -0.000 -0.195 -0.000) 0.195 12.487 ( -0.000 -4.225 -0.000) 4.225 12.545 ( -0.000 -1.269 -0.000) 1.269 12.724 ( -0.000 -1.234 -0.000) 1.234 12.733 ( -0.000 -4.174 -0.000) 4.174 12.857 ( -0.000 -2.472 -0.000) 2.472 12.868 ( 0.000 1.450 0.000) 1.450 13.082 ( 0.000 1.560 0.000) 1.560 13.090 ( -0.000 -0.664 -0.000) 0.664 13.096 ( 0.000 0.267 0.000) 0.267 13.150 ( -0.000 -1.563 -0.000) 1.563 13.263 ( -0.000 -0.479 -0.000) 0.479 13.416 ( -0.000 -1.276 -0.000) 1.276 13.438 ( 0.000 0.224 0.000) 0.224 13.545 ( -0.000 -0.940 -0.000) 0.940 13.621 ( 0.000 0.910 0.000) 0.910 13.686 ( -0.000 -3.550 -0.000) 3.550 13.995 ( 0.000 1.160 0.000) 1.160 14.129 ( -0.000 -0.788 -0.000) 0.788 14.192 ( 0.000 2.600 0.000) 2.600 14.273 ( -0.000 -0.526 -0.000) 0.526 14.305 ( 0.000 0.761 0.000) 0.761 14.326 ( 0.000 0.265 0.000) 0.265 14.436 ( -0.000 -0.579 -0.000) 0.579 14.480 ( -0.000 -0.998 -0.000) 0.998 14.724 ( 0.000 3.521 0.000) 3.521 14.877 ( 0.000 0.916 0.000) 0.916 ======================= Grid point 28 (18/78) ======================= q-point: ( 0.38 0.38 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( 8.862 0.000 3.748) 9.622 1.789 ( 15.787 0.000 3.428) 16.155 2.338 ( 7.604 0.000 -9.733) 12.351 2.403 ( 4.597 0.000 7.106) 8.464 2.408 ( 7.627 0.000 -9.572) 12.239 2.696 ( 10.016 0.000 8.116) 12.892 2.735 ( -1.368 -0.000 -4.616) 4.814 2.878 ( 5.006 0.000 1.053) 5.116 2.999 ( 0.787 0.000 -0.542) 0.955 3.042 ( 1.947 0.000 0.094) 1.949 3.102 ( -3.610 -0.000 -3.690) 5.163 3.105 ( -3.761 -0.000 6.220) 7.268 3.322 ( 6.025 0.000 -0.165) 6.027 3.338 ( 4.420 0.000 -1.958) 4.834 3.356 ( 0.501 0.000 1.166) 1.269 3.487 ( 6.783 0.000 -5.303) 8.610 3.526 ( 3.043 0.000 -8.156) 8.705 3.644 ( -0.627 -0.000 -0.094) 0.634 3.686 ( 5.384 0.000 -0.990) 5.475 3.808 ( 13.902 0.000 2.351) 14.099 3.974 ( 2.541 0.000 2.690) 3.700 3.990 ( 5.799 0.000 -2.284) 6.233 4.004 ( 1.058 0.000 -3.413) 3.573 4.150 ( 6.504 0.000 -0.027) 6.505 4.260 ( 1.694 0.000 -5.830) 6.071 4.336 ( 8.024 0.000 13.516) 15.719 4.363 ( 7.762 0.000 3.381) 8.466 4.422 ( 10.009 0.000 -6.796) 12.099 4.561 ( 11.813 0.000 3.437) 12.302 4.591 ( 4.307 0.000 -5.473) 6.965 4.721 ( -5.014 -0.000 -13.397) 14.305 4.781 ( 0.057 0.000 -1.567) 1.568 4.903 ( 10.400 0.000 17.725) 20.551 4.961 ( 10.830 0.000 2.226) 11.056 5.259 ( 6.458 0.000 -1.465) 6.622 5.259 ( 7.875 0.000 8.190) 11.362 5.435 ( 12.126 0.000 10.883) 16.294 5.519 ( -4.381 -0.000 -3.774) 5.783 5.726 ( 2.327 0.000 -5.327) 5.813 5.830 ( -5.798 -0.000 0.880) 5.865 5.907 ( 2.662 0.000 2.748) 3.826 6.060 ( -0.529 -0.000 -1.345) 1.445 6.414 ( -0.641 -0.000 -2.573) 2.651 6.669 ( 5.432 0.000 10.317) 11.659 6.680 ( -7.633 -0.000 -4.451) 8.836 7.063 ( 1.087 0.000 0.533) 1.210 7.320 ( -9.037 -0.000 -8.876) 12.667 7.717 ( 2.697 0.000 -0.511) 2.745 7.944 ( -0.820 -0.000 -0.209) 0.846 8.124 ( -0.626 -0.000 -0.761) 0.986 8.249 ( 2.791 0.000 0.288) 2.806 8.274 ( 0.404 0.000 0.383) 0.556 8.363 ( -2.092 -0.000 0.338) 2.119 8.638 ( 0.761 0.000 -0.741) 1.063 8.692 ( -2.169 -0.000 0.909) 2.351 8.725 ( -1.435 -0.000 1.697) 2.223 8.765 ( -0.401 -0.000 0.161) 0.432 8.780 ( 0.801 0.000 -2.227) 2.367 8.982 ( -2.779 -0.000 -0.506) 2.824 9.097 ( -0.678 -0.000 0.635) 0.929 9.222 ( 1.184 0.000 0.012) 1.184 9.259 ( 0.567 0.000 0.222) 0.609 9.367 ( -2.102 -0.000 -0.181) 2.110 9.423 ( -0.179 -0.000 1.158) 1.172 9.655 ( -1.898 -0.000 -0.735) 2.035 9.891 ( -1.835 -0.000 1.272) 2.233 9.934 ( -1.826 -0.000 -1.424) 2.315 10.116 ( -2.893 -0.000 0.443) 2.927 10.199 ( -3.168 -0.000 -0.048) 3.168 10.235 ( -1.467 -0.000 -0.190) 1.479 10.705 ( -7.647 -0.000 -0.302) 7.653 10.811 ( -8.896 -0.000 0.193) 8.898 11.316 ( -2.331 -0.000 -0.097) 2.333 11.785 ( -3.437 -0.000 0.008) 3.437 11.918 ( -4.862 -0.000 0.237) 4.868 12.283 ( -2.818 -0.000 0.761) 2.919 12.284 ( -0.343 -0.000 1.425) 1.465 12.323 ( -2.007 -0.000 -0.404) 2.048 12.367 ( -3.578 -0.000 -1.728) 3.973 12.384 ( -1.185 -0.000 0.481) 1.279 12.461 ( -2.261 -0.000 1.145) 2.534 12.482 ( -0.247 -0.000 0.412) 0.480 12.529 ( -1.242 -0.000 -0.652) 1.403 12.602 ( -5.661 -0.000 0.183) 5.664 12.614 ( -1.882 -0.000 -0.289) 1.904 12.646 ( -4.686 -0.000 -0.256) 4.693 12.685 ( -2.115 -0.000 -0.120) 2.118 12.935 ( -0.576 -0.000 0.231) 0.621 13.102 ( -0.474 -0.000 0.265) 0.544 13.108 ( 0.848 0.000 -0.045) 0.850 13.137 ( -0.701 -0.000 -0.356) 0.787 13.288 ( 1.457 0.000 0.519) 1.547 13.331 ( -1.174 -0.000 1.584) 1.971 13.353 ( -1.130 -0.000 -1.974) 2.275 13.464 ( -3.642 -0.000 -1.142) 3.817 13.503 ( -0.448 -0.000 0.072) 0.454 13.568 ( -0.097 -0.000 0.062) 0.115 13.596 ( -0.231 -0.000 0.489) 0.541 13.842 ( -0.525 -0.000 -0.989) 1.120 14.001 ( 0.632 0.000 1.511) 1.638 14.251 ( 3.506 0.000 2.543) 4.331 14.331 ( 2.345 0.000 3.667) 4.353 14.391 ( -1.512 -0.000 -4.123) 4.392 14.464 ( -1.261 -0.000 -3.342) 3.572 14.483 ( -1.428 -0.000 -4.482) 4.704 14.518 ( -1.512 -0.000 -2.195) 2.665 14.865 ( 5.013 0.000 4.057) 6.449 14.987 ( 2.341 0.000 2.671) 3.552 ======================= Grid point 29 (19/78) ======================= q-point: ( 0.50 0.38 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( 4.613 -6.002 3.077) 8.172 2.143 ( 7.198 -20.620 1.145) 21.871 2.355 ( 0.636 -3.517 -5.727) 6.751 2.504 ( 6.592 -2.323 5.817) 9.094 2.612 ( 8.229 -13.355 -6.527) 16.990 2.712 ( -1.217 -0.677 -1.965) 2.408 2.875 ( -5.989 -0.291 -1.765) 6.251 2.967 ( 1.595 -9.125 1.314) 9.356 2.998 ( 4.736 -6.692 3.415) 8.881 3.135 ( 2.914 -3.896 7.675) 9.087 3.154 ( -3.367 -10.640 -7.337) 13.356 3.240 ( 1.037 -16.631 0.056) 16.663 3.368 ( -0.086 -3.030 -3.066) 4.312 3.432 ( 3.033 -6.111 1.012) 6.897 3.490 ( 1.415 -5.776 -1.225) 6.071 3.504 ( 2.749 -2.824 -0.673) 3.998 3.552 ( 0.058 -6.065 -5.089) 7.918 3.676 ( -1.417 3.069 0.862) 3.488 3.756 ( -0.654 -11.541 -0.270) 11.562 3.929 ( 2.998 2.628 -0.301) 3.998 3.941 ( 2.469 0.819 -0.066) 2.602 3.971 ( 3.885 5.034 -0.675) 6.395 4.034 ( 3.556 -1.920 0.025) 4.041 4.214 ( 2.383 1.462 2.262) 3.596 4.243 ( 1.245 -0.790 -2.313) 2.743 4.443 ( 1.901 -4.669 -2.002) 5.425 4.452 ( 5.060 -0.892 4.255) 6.672 4.528 ( 8.183 1.950 -2.716) 8.840 4.580 ( 0.797 0.683 0.617) 1.217 4.690 ( 2.984 -3.487 -2.891) 5.424 4.695 ( 4.070 -2.199 -1.791) 4.960 4.810 ( 1.401 -3.002 0.016) 3.313 5.009 ( 2.306 -0.818 5.341) 5.875 5.060 ( 5.458 -0.786 0.802) 5.572 5.268 ( 2.232 3.351 -0.430) 4.049 5.395 ( 9.233 0.499 13.723) 16.547 5.472 ( -2.485 -0.060 -2.750) 3.707 5.567 ( 8.577 1.142 7.942) 11.745 5.683 ( 0.678 3.832 -7.473) 8.426 5.782 ( -4.946 -0.671 -0.543) 5.020 5.867 ( 0.307 6.812 2.661) 7.320 6.089 ( 5.676 -0.297 3.368) 6.606 6.366 ( -4.800 0.290 -5.716) 7.469 6.581 ( -6.757 0.891 -4.140) 7.975 6.770 ( 9.484 2.366 13.721) 16.846 7.054 ( -2.499 2.212 -3.876) 5.115 7.174 ( -9.374 -0.684 -10.555) 14.133 7.726 ( 1.595 1.658 -0.217) 2.311 7.941 ( -0.228 -0.183 0.083) 0.304 8.107 ( -0.290 0.936 -0.504) 1.102 8.242 ( 0.995 2.547 -0.057) 2.735 8.300 ( 1.089 0.182 1.722) 2.046 8.328 ( -1.212 1.146 -0.725) 1.818 8.650 ( 1.171 -0.471 -0.667) 1.428 8.676 ( -1.922 -0.285 0.920) 2.150 8.712 ( -0.829 0.349 1.044) 1.378 8.765 ( -0.177 -0.241 0.089) 0.312 8.781 ( 0.440 0.220 -1.145) 1.246 8.957 ( -1.530 0.153 -0.146) 1.545 9.089 ( -0.315 0.573 0.280) 0.711 9.231 ( 0.408 -0.255 0.062) 0.485 9.262 ( 1.340 0.849 0.026) 1.587 9.334 ( -2.253 0.827 -0.547) 2.462 9.426 ( 0.555 0.405 1.255) 1.430 9.632 ( -1.434 0.232 -0.597) 1.570 9.867 ( -1.066 1.262 0.589) 1.753 9.909 ( -0.579 1.018 -0.633) 1.331 10.066 ( -3.708 1.675 0.140) 4.072 10.168 ( -0.093 1.499 0.315) 1.535 10.223 ( -0.171 0.584 -0.246) 0.656 10.621 ( -3.325 2.723 -0.231) 4.304 10.691 ( -5.044 5.185 0.184) 7.236 11.267 ( -1.163 3.195 -0.054) 3.401 11.782 ( -1.373 -2.320 0.186) 2.702 11.857 ( -2.722 2.408 0.180) 3.638 12.236 ( -0.126 2.013 0.555) 2.091 12.268 ( -0.645 3.577 0.340) 3.651 12.294 ( -3.053 0.681 -0.179) 3.133 12.303 ( -0.161 2.348 -0.469) 2.400 12.371 ( -1.380 1.396 -0.029) 1.964 12.426 ( -0.693 2.105 1.045) 2.450 12.452 ( -0.206 2.947 -0.491) 2.995 12.531 ( -0.480 2.922 0.894) 3.093 12.562 ( -2.835 -1.888 -0.383) 3.427 12.579 ( -1.805 -0.031 -0.040) 1.806 12.604 ( -1.456 -0.187 -0.595) 1.585 12.697 ( -0.894 -2.785 -0.112) 2.927 12.928 ( -0.320 0.409 0.140) 0.538 13.093 ( 0.105 0.664 0.349) 0.757 13.114 ( 0.525 0.130 -0.234) 0.589 13.124 ( -0.643 0.485 -0.226) 0.836 13.272 ( -0.022 3.198 0.109) 3.200 13.308 ( -0.165 1.623 0.709) 1.778 13.346 ( -0.180 -0.742 -0.699) 1.035 13.461 ( -2.369 -3.053 -0.893) 3.966 13.515 ( -0.108 -1.292 0.019) 1.296 13.573 ( -0.079 1.652 0.290) 1.679 13.585 ( -0.241 -1.156 -0.048) 1.182 13.867 ( -0.154 -3.464 -0.531) 3.508 14.027 ( 0.559 -1.636 0.964) 1.979 14.289 ( 2.690 0.194 2.480) 3.664 14.342 ( 1.557 2.430 3.290) 4.376 14.361 ( -0.237 1.037 -1.645) 1.959 14.431 ( -2.105 1.752 -5.914) 6.517 14.442 ( -1.528 0.092 -2.542) 2.967 14.495 ( -0.806 0.724 -0.289) 1.121 14.897 ( 2.552 1.904 2.234) 3.890 14.992 ( 1.353 2.265 1.669) 3.122 ======================= Grid point 30 (20/78) ======================= q-point: ( 0.62 0.38 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( -0.000 -12.309 -0.000) 12.309 2.370 ( -0.000 -5.381 -0.000) 5.381 2.490 ( -0.000 -3.088 -0.000) 3.088 2.604 ( -0.000 -2.381 -0.000) 2.381 2.672 ( 0.000 5.658 0.000) 5.658 2.839 ( -0.000 -0.965 -0.000) 0.965 2.883 ( -0.000 -15.139 -0.000) 15.139 3.140 ( -0.000 -13.436 -0.000) 13.436 3.206 ( -0.000 -3.565 -0.000) 3.565 3.245 ( -0.000 -7.093 -0.000) 7.093 3.347 ( -0.000 -12.773 -0.000) 12.773 3.365 ( 0.000 2.195 0.000) 2.195 3.447 ( 0.000 6.377 0.000) 6.377 3.485 ( -0.000 -0.664 -0.000) 0.664 3.543 ( -0.000 -4.332 -0.000) 4.332 3.644 ( -0.000 -2.826 -0.000) 2.826 3.703 ( -0.000 -11.728 -0.000) 11.728 3.734 ( -0.000 -13.701 -0.000) 13.701 3.877 ( -0.000 -0.904 -0.000) 0.904 3.933 ( -0.000 -7.747 -0.000) 7.747 3.952 ( -0.000 -6.093 -0.000) 6.093 4.088 ( -0.000 -7.684 -0.000) 7.684 4.099 ( -0.000 -9.060 -0.000) 9.060 4.216 ( -0.000 -1.898 -0.000) 1.898 4.256 ( -0.000 -0.180 -0.000) 0.180 4.451 ( 0.000 1.705 0.000) 1.705 4.527 ( -0.000 -1.611 -0.000) 1.611 4.537 ( 0.000 1.879 0.000) 1.879 4.610 ( -0.000 -3.086 -0.000) 3.086 4.762 ( -0.000 -2.627 -0.000) 2.627 4.767 ( -0.000 -5.383 -0.000) 5.383 4.895 ( -0.000 -4.227 -0.000) 4.227 5.054 ( -0.000 -2.848 -0.000) 2.848 5.089 ( 0.000 0.749 0.000) 0.749 5.184 ( 0.000 7.037 0.000) 7.037 5.435 ( 0.000 4.485 0.000) 4.485 5.465 ( -0.000 -1.130 -0.000) 1.130 5.542 ( 0.000 7.148 0.000) 7.148 5.627 ( 0.000 1.709 0.000) 1.709 5.749 ( 0.000 4.899 0.000) 4.899 5.770 ( -0.000 -1.048 -0.000) 1.048 6.154 ( -0.000 -0.653 -0.000) 0.653 6.309 ( 0.000 2.483 0.000) 2.483 6.516 ( -0.000 -0.277 -0.000) 0.277 6.784 ( 0.000 8.014 0.000) 8.014 6.924 ( 0.000 2.601 0.000) 2.601 7.170 ( -0.000 -2.917 -0.000) 2.917 7.691 ( 0.000 2.928 0.000) 2.928 7.943 ( -0.000 -0.093 -0.000) 0.093 8.085 ( 0.000 1.414 0.000) 1.414 8.195 ( 0.000 3.249 0.000) 3.249 8.243 ( 0.000 4.277 0.000) 4.277 8.341 ( -0.000 -1.063 -0.000) 1.063 8.666 ( -0.000 -0.231 -0.000) 0.231 8.673 ( -0.000 -0.868 -0.000) 0.868 8.713 ( -0.000 -0.729 -0.000) 0.729 8.774 ( 0.000 0.361 0.000) 0.361 8.775 ( -0.000 -1.185 -0.000) 1.185 8.948 ( -0.000 -0.047 -0.000) 0.047 9.070 ( 0.000 1.492 0.000) 1.492 9.245 ( -0.000 -0.991 -0.000) 0.991 9.250 ( 0.000 1.045 0.000) 1.045 9.307 ( 0.000 0.730 0.000) 0.730 9.424 ( 0.000 0.427 0.000) 0.427 9.622 ( -0.000 -0.104 -0.000) 0.104 9.836 ( 0.000 1.719 0.000) 1.719 9.886 ( 0.000 1.117 0.000) 1.117 10.007 ( 0.000 2.517 0.000) 2.517 10.146 ( 0.000 1.044 0.000) 1.044 10.210 ( 0.000 0.772 0.000) 0.772 10.555 ( 0.000 2.867 0.000) 2.867 10.556 ( 0.000 6.716 0.000) 6.716 11.199 ( 0.000 3.481 0.000) 3.481 11.793 ( 0.000 2.706 0.000) 2.706 11.832 ( -0.000 -3.515 -0.000) 3.515 12.196 ( 0.000 3.060 0.000) 3.060 12.210 ( 0.000 3.680 0.000) 3.680 12.212 ( 0.000 4.058 0.000) 4.058 12.284 ( 0.000 0.924 0.000) 0.924 12.325 ( 0.000 2.819 0.000) 2.819 12.365 ( 0.000 4.781 0.000) 4.781 12.407 ( 0.000 0.663 0.000) 0.663 12.462 ( 0.000 2.618 0.000) 2.618 12.554 ( 0.000 1.524 0.000) 1.524 12.600 ( -0.000 -3.438 -0.000) 3.438 12.642 ( -0.000 -3.270 -0.000) 3.270 12.749 ( -0.000 -3.511 -0.000) 3.511 12.915 ( 0.000 0.982 0.000) 0.982 13.086 ( 0.000 0.396 0.000) 0.396 13.109 ( 0.000 0.485 0.000) 0.485 13.114 ( 0.000 0.300 0.000) 0.300 13.206 ( 0.000 3.854 0.000) 3.854 13.280 ( 0.000 1.390 0.000) 1.390 13.361 ( -0.000 -1.022 -0.000) 1.022 13.496 ( -0.000 -2.069 -0.000) 2.069 13.526 ( 0.000 3.181 0.000) 3.181 13.553 ( -0.000 -3.360 -0.000) 3.360 13.611 ( -0.000 -1.425 -0.000) 1.425 13.939 ( -0.000 -4.259 -0.000) 4.259 14.067 ( -0.000 -2.323 -0.000) 2.323 14.301 ( 0.000 1.112 0.000) 1.112 14.308 ( 0.000 2.906 0.000) 2.906 14.338 ( 0.000 1.688 0.000) 1.688 14.359 ( 0.000 2.418 0.000) 2.418 14.428 ( 0.000 0.000 0.000) 0.000 14.477 ( 0.000 0.670 0.000) 0.670 14.864 ( 0.000 3.623 0.000) 3.623 14.953 ( 0.000 3.041 0.000) 3.041 ======================= Grid point 39 (21/78) ======================= q-point: (-0.50 -0.50 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( 0.000 0.000 0.000) 0.000 1.968 ( 0.000 0.000 0.000) 0.000 2.321 ( 0.000 0.000 0.000) 0.000 2.442 ( -0.000 -0.000 0.000) 0.000 2.625 ( -0.000 -0.000 -0.000) 0.000 2.653 ( 0.000 0.000 0.000) 0.000 2.877 ( -0.000 -0.000 -0.000) 0.000 2.887 ( 0.000 0.000 0.000) 0.000 2.965 ( 0.000 0.000 0.000) 0.000 2.974 ( -0.000 -0.000 -0.000) 0.000 3.066 ( 0.000 0.000 0.000) 0.000 3.142 ( 0.000 0.000 0.000) 0.000 3.356 ( 0.000 0.000 -0.000) 0.000 3.387 ( 0.000 0.000 0.000) 0.000 3.387 ( 0.000 0.000 0.000) 0.000 3.495 ( -0.000 -0.000 0.000) 0.000 3.529 ( 0.000 0.000 -0.000) 0.000 3.635 ( 0.000 0.000 0.000) 0.000 3.716 ( 0.000 0.000 -0.000) 0.000 3.949 ( 0.000 0.000 0.000) 0.000 4.004 ( 0.000 0.000 -0.000) 0.000 4.039 ( 0.000 0.000 0.000) 0.000 4.041 ( 0.000 0.000 0.000) 0.000 4.216 ( 0.000 0.000 0.000) 0.000 4.266 ( 0.000 0.000 0.000) 0.000 4.397 ( 0.000 0.000 0.000) 0.000 4.500 ( 0.000 0.000 0.000) 0.000 4.532 ( -0.000 -0.000 0.000) 0.000 4.629 ( 0.000 0.000 0.000) 0.000 4.682 ( 0.000 0.000 -0.000) 0.000 4.693 ( -0.000 -0.000 0.000) 0.000 4.781 ( 0.000 0.000 -0.000) 0.000 5.025 ( 0.000 0.000 0.000) 0.000 5.082 ( 0.000 0.000 0.000) 0.000 5.307 ( 0.000 0.000 0.000) 0.000 5.451 ( 0.000 0.000 -0.000) 0.000 5.484 ( -0.000 -0.000 0.000) 0.000 5.664 ( 0.000 0.000 0.000) 0.000 5.681 ( 0.000 0.000 0.000) 0.000 5.740 ( 0.000 0.000 0.000) 0.000 5.947 ( 0.000 0.000 0.000) 0.000 6.162 ( 0.000 0.000 0.000) 0.000 6.265 ( -0.000 -0.000 -0.000) 0.000 6.558 ( 0.000 0.000 0.000) 0.000 6.968 ( 0.000 0.000 0.000) 0.000 6.981 ( -0.000 -0.000 -0.000) 0.000 7.075 ( 0.000 0.000 0.000) 0.000 7.751 ( 0.000 0.000 0.000) 0.000 7.937 ( 0.000 0.000 0.000) 0.000 8.110 ( 0.000 0.000 0.000) 0.000 8.284 ( 0.000 0.000 0.000) 0.000 8.299 ( 0.000 0.000 0.000) 0.000 8.332 ( 0.000 0.000 0.000) 0.000 8.655 ( 0.000 0.000 -0.000) 0.000 8.660 ( -0.000 -0.000 0.000) 0.000 8.712 ( 0.000 0.000 0.000) 0.000 8.762 ( 0.000 0.000 0.000) 0.000 8.785 ( 0.000 0.000 0.000) 0.000 8.950 ( 0.000 0.000 0.000) 0.000 9.092 ( 0.000 0.000 0.000) 0.000 9.228 ( 0.000 0.000 0.000) 0.000 9.285 ( 0.000 0.000 0.000) 0.000 9.322 ( 0.000 0.000 0.000) 0.000 9.436 ( 0.000 0.000 0.000) 0.000 9.624 ( 0.000 0.000 0.000) 0.000 9.874 ( 0.000 0.000 -0.000) 0.000 9.914 ( 0.000 0.000 0.000) 0.000 10.062 ( 0.000 0.000 0.000) 0.000 10.182 ( 0.000 0.000 0.000) 0.000 10.227 ( 0.000 0.000 0.000) 0.000 10.626 ( 0.000 0.000 0.000) 0.000 10.712 ( 0.000 0.000 0.000) 0.000 11.291 ( 0.000 0.000 0.000) 0.000 11.750 ( -0.000 -0.000 0.000) 0.000 11.868 ( 0.000 0.000 0.000) 0.000 12.246 ( 0.000 0.000 0.000) 0.000 12.286 ( -0.000 -0.000 0.000) 0.000 12.299 ( 0.000 0.000 0.000) 0.000 12.325 ( 0.000 0.000 -0.000) 0.000 12.383 ( 0.000 0.000 0.000) 0.000 12.437 ( 0.000 0.000 0.000) 0.000 12.494 ( 0.000 0.000 0.000) 0.000 12.526 ( 0.000 0.000 0.000) 0.000 12.528 ( -0.000 -0.000 0.000) 0.000 12.574 ( 0.000 0.000 0.000) 0.000 12.606 ( 0.000 0.000 0.000) 0.000 12.665 ( 0.000 0.000 0.000) 0.000 12.930 ( 0.000 0.000 0.000) 0.000 13.100 ( 0.000 0.000 0.000) 0.000 13.117 ( 0.000 0.000 0.000) 0.000 13.127 ( 0.000 0.000 0.000) 0.000 13.312 ( -0.000 -0.000 0.000) 0.000 13.329 ( -0.000 -0.000 0.000) 0.000 13.329 ( 0.000 0.000 -0.000) 0.000 13.409 ( 0.000 0.000 0.000) 0.000 13.507 ( 0.000 0.000 0.000) 0.000 13.564 ( -0.000 -0.000 -0.000) 0.000 13.595 ( 0.000 0.000 0.000) 0.000 13.832 ( 0.000 0.000 0.000) 0.000 14.016 ( 0.000 0.000 0.000) 0.000 14.309 ( 0.000 0.000 -0.000) 0.000 14.358 ( 0.000 0.000 0.000) 0.000 14.397 ( 0.000 0.000 -0.000) 0.000 14.421 ( 0.000 0.000 0.000) 0.000 14.426 ( 0.000 0.000 0.000) 0.000 14.497 ( 0.000 0.000 0.000) 0.000 14.931 ( 0.000 0.000 0.000) 0.000 15.022 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 69 (22/78) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( -3.240 -0.000 30.981) 31.150 0.652 ( 2.369 0.000 35.154) 35.233 1.218 ( 14.452 0.000 63.599) 65.220 1.611 ( 3.170 0.000 -23.222) 23.438 1.764 ( -4.301 -0.000 -23.734) 24.121 2.253 ( -1.435 -0.000 10.944) 11.038 2.362 ( 5.448 0.000 10.528) 11.855 2.472 ( -2.988 -0.000 8.529) 9.037 2.632 ( -3.283 -0.000 -3.461) 4.771 2.793 ( 1.823 0.000 -0.810) 1.995 2.822 ( 0.779 0.000 2.627) 2.740 2.960 ( 1.721 0.000 -5.791) 6.041 2.985 ( -1.687 -0.000 -5.835) 6.074 3.105 ( 0.908 0.000 2.212) 2.391 3.130 ( -1.510 -0.000 -15.468) 15.542 3.266 ( 1.040 0.000 -4.562) 4.679 3.270 ( -6.082 -0.000 -9.966) 11.676 3.303 ( -2.878 -0.000 -1.288) 3.153 3.471 ( 4.059 0.000 0.001) 4.059 3.492 ( 2.430 0.000 0.689) 2.525 3.657 ( 0.950 0.000 -2.395) 2.576 3.715 ( -1.053 -0.000 -2.383) 2.605 3.804 ( 0.839 0.000 1.802) 1.988 3.821 ( 4.885 0.000 2.423) 5.453 3.898 ( 1.361 0.000 7.268) 7.395 3.997 ( -1.427 -0.000 5.987) 6.155 4.096 ( 5.502 0.000 9.769) 11.212 4.112 ( -0.564 -0.000 2.449) 2.513 4.190 ( -4.649 -0.000 -2.283) 5.180 4.353 ( 3.630 0.000 2.547) 4.434 4.479 ( -3.308 -0.000 -4.706) 5.753 4.708 ( 9.261 0.000 2.933) 9.714 4.866 ( -1.229 -0.000 -0.071) 1.231 4.952 ( -2.159 -0.000 6.072) 6.444 5.036 ( -13.799 -0.000 -29.734) 32.780 5.146 ( -0.108 -0.000 0.599) 0.608 5.299 ( -7.884 -0.000 -13.686) 15.794 5.492 ( 3.287 0.000 -0.981) 3.431 5.635 ( -0.004 -0.000 -7.155) 7.155 5.915 ( -3.932 -0.000 -9.562) 10.339 6.007 ( 1.644 0.000 8.231) 8.393 6.132 ( 1.493 0.000 4.436) 4.681 6.393 ( 0.874 0.000 4.271) 4.359 6.649 ( 2.422 0.000 8.578) 8.914 6.653 ( -2.711 -0.000 -2.375) 3.604 7.008 ( 0.403 0.000 2.639) 2.670 7.343 ( 5.330 0.000 15.434) 16.328 7.634 ( 0.001 0.000 -1.701) 1.701 7.971 ( 0.176 0.000 -0.245) 0.301 8.087 ( 0.487 0.000 2.027) 2.085 8.154 ( -0.005 -0.000 -0.213) 0.213 8.335 ( -0.262 -0.000 -1.987) 2.005 8.467 ( 0.057 0.000 -0.168) 0.177 8.647 ( 1.100 0.000 3.059) 3.251 8.655 ( -0.582 -0.000 -4.028) 4.070 8.778 ( -0.418 -0.000 0.539) 0.682 8.798 ( 0.370 0.000 1.099) 1.160 8.829 ( -0.463 -0.000 -3.358) 3.389 9.132 ( -0.299 -0.000 0.241) 0.384 9.140 ( 0.580 0.000 0.027) 0.580 9.207 ( 0.878 0.000 0.546) 1.034 9.250 ( -0.896 -0.000 -1.108) 1.425 9.420 ( -0.079 -0.000 0.786) 0.790 9.448 ( 0.156 0.000 -0.124) 0.200 9.685 ( 0.210 0.000 0.021) 0.211 9.997 ( -0.449 -0.000 -0.645) 0.786 10.084 ( 0.486 0.000 0.442) 0.657 10.102 ( 0.234 0.000 -0.525) 0.575 10.241 ( -0.027 -0.000 0.416) 0.417 10.587 ( -0.160 -0.000 -2.638) 2.643 11.184 ( 0.221 0.000 0.427) 0.481 11.253 ( -0.245 -0.000 -0.486) 0.544 11.474 ( 0.164 0.000 0.549) 0.573 12.000 ( -0.920 -0.000 -3.488) 3.607 12.218 ( -0.088 -0.000 -0.292) 0.305 12.281 ( 0.370 0.000 2.095) 2.127 12.356 ( 0.014 0.000 1.849) 1.849 12.392 ( -0.017 -0.000 0.609) 0.609 12.528 ( -0.341 -0.000 -1.895) 1.926 12.533 ( 0.512 0.000 0.645) 0.824 12.575 ( 0.024 0.000 0.216) 0.217 12.632 ( -0.665 -0.000 -1.796) 1.915 12.660 ( -0.207 -0.000 -1.180) 1.198 12.708 ( 0.035 0.000 -1.052) 1.052 12.858 ( 0.213 0.000 -0.023) 0.215 12.913 ( 0.162 0.000 0.301) 0.341 12.923 ( 0.297 0.000 2.198) 2.218 13.005 ( 1.327 0.000 1.851) 2.277 13.104 ( -2.991 -0.000 -1.767) 3.474 13.139 ( -0.029 -0.000 -0.055) 0.063 13.174 ( 0.008 0.000 -0.145) 0.145 13.209 ( 1.597 0.000 2.197) 2.716 13.362 ( 0.132 0.000 -1.777) 1.782 13.459 ( -0.293 -0.000 2.517) 2.534 13.468 ( -0.567 -0.000 -1.945) 2.026 13.532 ( 0.308 0.000 0.856) 0.910 13.613 ( 0.133 0.000 -0.363) 0.387 13.732 ( 0.215 0.000 -0.055) 0.222 13.876 ( 0.443 0.000 1.753) 1.808 14.054 ( 0.113 0.000 0.162) 0.198 14.137 ( -2.274 -0.000 -1.487) 2.717 14.246 ( 5.955 0.000 3.965) 7.154 14.265 ( -1.810 -0.000 -1.872) 2.604 14.448 ( 3.384 0.000 4.397) 5.548 14.490 ( -1.610 -0.000 -1.677) 2.325 14.578 ( 0.031 0.000 -0.211) 0.213 14.613 ( -2.098 -0.000 -2.187) 3.031 14.914 ( -1.638 -0.000 -2.166) 2.715 ======================= Grid point 70 (23/78) ======================= q-point: ( 0.12 0.00 0.25) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( 13.002 -21.319 24.448) 34.946 1.223 ( 9.139 -36.844 19.364) 42.615 1.683 ( 5.587 -9.532 -16.942) 20.226 1.796 ( 20.749 -20.776 34.828) 45.554 1.945 ( 9.563 -23.378 -15.785) 29.785 2.494 ( 4.929 -6.698 7.838) 11.428 2.529 ( 6.324 -19.318 10.103) 22.699 2.592 ( 3.895 -4.650 2.969) 6.753 2.642 ( 1.183 -8.254 0.354) 8.346 2.838 ( 1.835 -4.471 -5.401) 7.248 2.941 ( 2.297 -7.733 -6.314) 10.244 2.970 ( -0.958 -3.699 -8.260) 9.101 3.066 ( 7.945 -8.449 -0.777) 11.624 3.182 ( -1.128 -1.689 -9.509) 9.724 3.246 ( 1.657 -15.914 -3.255) 16.328 3.265 ( 1.379 -5.145 -4.285) 6.836 3.327 ( 0.166 -14.401 -0.654) 14.416 3.406 ( 1.132 -10.059 2.481) 10.422 3.552 ( 3.451 -4.083 -0.898) 5.421 3.600 ( 4.453 -10.216 -1.486) 11.243 3.710 ( 0.840 -1.610 -1.441) 2.319 3.759 ( 1.265 -9.956 -2.382) 10.315 3.860 ( 2.714 -4.397 2.459) 5.722 3.887 ( 2.006 3.993 5.988) 7.472 3.915 ( 7.967 -2.563 1.601) 8.521 4.029 ( -0.011 -2.160 0.295) 2.180 4.164 ( -3.308 -3.865 -0.548) 5.117 4.185 ( 2.391 -5.488 5.224) 7.946 4.222 ( 9.192 -1.365 10.695) 14.168 4.432 ( 6.417 -2.424 5.755) 8.954 4.457 ( -1.126 -2.309 -6.537) 7.024 4.705 ( 0.935 5.641 -5.921) 8.231 4.850 ( -7.428 -1.595 -16.394) 18.069 4.905 ( -1.093 -0.470 0.788) 1.427 4.954 ( 3.169 -0.731 5.973) 6.801 5.157 ( -7.052 0.808 -12.739) 14.583 5.181 ( -1.303 -2.868 -1.984) 3.723 5.499 ( 3.330 2.217 -1.434) 4.250 5.616 ( -0.247 0.006 -6.204) 6.209 5.833 ( -2.645 3.312 -6.229) 7.535 6.019 ( -0.229 1.553 4.038) 4.333 6.155 ( 0.349 -0.056 3.779) 3.795 6.401 ( -0.325 0.398 1.725) 1.800 6.592 ( -0.830 3.557 0.351) 3.669 6.729 ( 2.840 -2.089 7.296) 8.103 7.033 ( 0.526 -1.198 2.261) 2.613 7.408 ( 3.025 2.250 11.155) 11.775 7.626 ( 0.405 0.461 -1.790) 1.892 7.977 ( -0.294 -0.261 -0.729) 0.828 8.091 ( 0.348 1.175 2.074) 2.409 8.151 ( 0.892 0.520 -0.022) 1.032 8.324 ( -0.734 -0.038 -2.651) 2.751 8.443 ( -0.354 2.302 0.581) 2.400 8.631 ( -0.815 0.596 -3.576) 3.716 8.677 ( 1.719 -0.310 2.400) 2.969 8.769 ( -0.709 0.512 -0.449) 0.983 8.804 ( -0.342 -0.243 0.754) 0.863 8.811 ( -0.719 -0.079 -2.333) 2.443 9.117 ( -1.480 0.575 -0.043) 1.588 9.137 ( -0.084 0.661 0.155) 0.685 9.212 ( 0.706 0.481 1.193) 1.467 9.235 ( -0.966 0.033 -1.407) 1.707 9.416 ( -0.087 0.645 1.111) 1.288 9.440 ( -0.199 0.877 -0.431) 0.998 9.681 ( 0.115 0.602 -0.087) 0.619 9.972 ( -1.105 1.733 -0.448) 2.104 10.047 ( -1.176 3.571 0.522) 3.795 10.103 ( 0.477 -0.031 -0.390) 0.617 10.232 ( -0.222 0.858 0.250) 0.921 10.515 ( -2.678 5.686 -2.136) 6.638 11.100 ( -3.968 7.391 0.220) 8.392 11.159 ( -3.032 8.401 -0.285) 8.936 11.423 ( -1.427 4.788 0.335) 5.007 11.978 ( -2.067 -0.075 -2.506) 3.250 12.160 ( -2.479 4.816 -0.181) 5.420 12.262 ( 0.174 2.723 2.159) 3.479 12.334 ( -0.488 4.578 -0.324) 4.615 12.364 ( -0.866 0.697 1.282) 1.697 12.483 ( -0.350 5.498 1.004) 5.600 12.522 ( -0.339 1.009 -0.843) 1.358 12.540 ( -0.937 3.292 0.272) 3.434 12.589 ( -2.445 1.730 -2.800) 4.100 12.647 ( -1.872 1.126 -1.554) 2.681 12.689 ( -0.907 0.690 -0.180) 1.154 12.821 ( -1.879 7.966 0.513) 8.201 12.844 ( -2.054 0.347 0.155) 2.089 12.933 ( -0.046 0.767 1.804) 1.961 12.975 ( -2.274 2.798 0.081) 3.606 13.081 ( -0.456 -0.144 0.247) 0.538 13.121 ( -0.392 1.794 -0.029) 1.837 13.151 ( 0.110 1.231 0.630) 1.387 13.240 ( 0.474 -0.304 0.070) 0.567 13.337 ( -0.142 2.100 -1.426) 2.542 13.454 ( -1.560 0.096 2.025) 2.558 13.479 ( 0.208 -1.624 -0.835) 1.838 13.559 ( 0.465 -1.960 0.714) 2.137 13.587 ( 0.031 2.670 -0.508) 2.718 13.740 ( -1.335 -1.367 -0.094) 1.913 13.900 ( -0.587 -1.974 1.080) 2.326 14.064 ( -1.557 -1.627 0.112) 2.255 14.135 ( 0.447 -0.997 0.071) 1.094 14.242 ( -0.446 0.764 -0.806) 1.197 14.318 ( 3.822 -0.750 1.423) 4.147 14.480 ( 2.007 0.600 1.660) 2.673 14.482 ( 1.907 0.274 -0.264) 1.945 14.544 ( -0.446 2.414 -0.154) 2.459 14.607 ( -0.385 -0.408 -1.329) 1.443 14.880 ( -0.666 1.737 -1.661) 2.493 ======================= Grid point 71 (24/78) ======================= q-point: ( 0.25 0.00 0.25) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 5.998 -23.665 15.641) 28.994 1.853 ( 8.728 -17.488 0.722) 19.559 1.921 ( 12.216 -15.412 2.053) 19.773 2.243 ( 2.451 -13.156 -18.118) 22.524 2.514 ( 5.317 -14.833 6.587) 17.078 2.695 ( 8.992 -9.549 6.743) 14.748 2.746 ( 9.230 -4.872 1.728) 10.579 2.811 ( 7.073 -9.617 0.827) 11.966 2.888 ( 0.129 -1.626 -5.175) 5.426 2.981 ( 2.833 -3.271 4.748) 6.424 3.033 ( 0.255 -15.577 1.455) 15.647 3.178 ( 6.171 -12.175 7.503) 15.575 3.192 ( 3.700 -6.288 -8.044) 10.860 3.322 ( 3.706 -15.447 -7.996) 17.784 3.435 ( 1.098 -7.339 -1.381) 7.549 3.523 ( 7.514 -13.403 -1.216) 15.414 3.592 ( -0.292 -12.569 1.321) 12.642 3.691 ( 1.080 -0.547 1.871) 2.228 3.719 ( 4.952 -14.962 -2.325) 15.931 3.754 ( 2.235 -16.132 0.289) 16.289 3.869 ( 2.870 -16.934 2.467) 17.352 3.920 ( 3.522 -4.588 0.896) 5.853 4.001 ( 1.615 -11.717 -2.452) 12.079 4.052 ( 3.849 -13.158 -1.837) 13.832 4.075 ( 8.878 -5.289 -1.055) 10.388 4.117 ( 2.466 -9.634 1.524) 10.061 4.263 ( -0.344 -12.120 0.898) 12.158 4.371 ( 5.700 -6.851 4.769) 10.108 4.388 ( 9.382 -2.892 9.517) 13.673 4.492 ( 0.621 -5.292 -7.949) 9.570 4.530 ( -1.370 -0.316 -8.705) 8.817 4.668 ( 6.860 -3.745 4.712) 9.127 4.750 ( -3.150 2.760 -5.378) 6.816 4.915 ( 3.348 -1.174 -1.769) 3.964 5.010 ( -2.678 -1.286 -3.665) 4.718 5.087 ( 3.703 0.523 3.183) 4.911 5.219 ( -0.515 -2.238 -0.270) 2.313 5.487 ( 2.023 1.992 -1.834) 3.380 5.580 ( 0.235 2.183 -3.271) 3.939 5.712 ( -2.249 5.983 -1.002) 6.470 5.979 ( -1.123 3.133 0.823) 3.428 6.157 ( -1.344 0.604 2.649) 3.031 6.382 ( -1.546 1.312 0.797) 2.179 6.522 ( 0.382 4.402 1.613) 4.704 6.816 ( 2.022 -3.056 3.892) 5.345 7.062 ( 0.081 -0.964 0.169) 0.982 7.383 ( -0.181 5.324 4.020) 6.674 7.618 ( 0.695 0.500 -1.730) 1.931 7.968 ( -0.624 0.463 -0.538) 0.945 8.057 ( -0.743 2.704 0.998) 2.977 8.166 ( 3.172 0.334 0.743) 3.275 8.303 ( -1.849 0.063 -3.127) 3.633 8.392 ( -1.072 2.989 1.260) 3.416 8.601 ( 0.184 1.138 -1.866) 2.194 8.697 ( 0.858 0.151 0.919) 1.266 8.748 ( -0.498 0.327 -1.368) 1.492 8.805 ( -0.895 -0.312 0.579) 1.110 8.810 ( -0.626 -0.940 -0.101) 1.134 9.082 ( -2.044 1.450 -0.107) 2.508 9.110 ( -0.772 2.056 -0.172) 2.203 9.219 ( -0.378 -0.594 -0.193) 0.730 9.225 ( 0.365 0.028 0.464) 0.591 9.391 ( -0.804 2.287 0.636) 2.506 9.421 ( -0.157 0.536 -0.148) 0.578 9.667 ( -0.122 0.902 -0.195) 0.931 9.915 ( -1.232 3.239 0.065) 3.466 9.962 ( -1.712 3.899 0.110) 4.260 10.109 ( 0.634 -0.030 -0.167) 0.656 10.214 ( -0.225 0.937 0.003) 0.963 10.340 ( -4.525 9.087 -0.755) 10.180 10.874 ( -6.224 11.593 0.049) 13.159 10.924 ( -4.705 12.950 -0.101) 13.779 11.307 ( -1.864 6.029 0.068) 6.311 11.937 ( -3.158 1.762 -0.760) 3.695 12.028 ( -2.459 5.877 -0.028) 6.371 12.217 ( -0.581 2.752 1.491) 3.183 12.232 ( -0.850 5.283 -0.953) 5.435 12.301 ( -1.357 6.504 0.515) 6.664 12.389 ( -0.779 3.893 1.222) 4.154 12.444 ( -1.851 5.010 -0.748) 5.393 12.472 ( -1.539 3.344 -0.399) 3.702 12.519 ( -0.969 4.993 -1.155) 5.215 12.572 ( -3.100 2.823 -0.074) 4.194 12.636 ( -1.748 5.462 0.057) 5.735 12.698 ( -1.713 0.724 0.046) 1.860 12.827 ( -1.645 -0.437 -0.221) 1.716 12.871 ( -3.107 2.918 0.435) 4.284 12.939 ( 0.049 1.217 0.317) 1.259 13.071 ( -0.558 1.772 0.766) 2.009 13.089 ( -0.337 0.430 -0.331) 0.639 13.140 ( 0.473 0.660 0.359) 0.888 13.230 ( -0.318 1.097 -0.577) 1.279 13.290 ( -0.269 2.345 -0.535) 2.420 13.440 ( -2.036 0.206 2.304) 3.082 13.506 ( 0.180 -0.616 -0.802) 1.027 13.535 ( 0.239 2.177 -0.712) 2.303 13.601 ( 0.481 -1.824 0.647) 1.994 13.743 ( -1.870 -0.776 -0.285) 2.044 13.933 ( -0.230 -2.070 0.148) 2.088 14.076 ( -1.599 -1.569 -0.009) 2.240 14.167 ( 0.241 -1.378 1.621) 2.141 14.223 ( -0.018 1.080 0.249) 1.109 14.340 ( -0.016 -0.414 -4.601) 4.620 14.477 ( -0.207 1.113 -0.384) 1.196 14.500 ( 2.638 2.189 1.228) 3.641 14.513 ( 0.103 0.009 -0.225) 0.248 14.615 ( 2.768 0.064 0.951) 2.928 14.841 ( 0.985 2.439 0.455) 2.670 ======================= Grid point 72 (25/78) ======================= q-point: ( 0.38 0.00 0.25) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( 0.222 -16.831 -3.461) 17.184 2.190 ( 5.659 -7.898 1.264) 9.798 2.282 ( 8.002 -16.904 2.336) 18.847 2.403 ( 5.126 -5.823 -4.728) 9.085 2.615 ( 0.356 5.751 -4.164) 7.109 2.712 ( -3.926 -1.043 -7.408) 8.449 2.836 ( 1.375 2.297 1.149) 2.913 2.886 ( 5.284 -3.457 -0.117) 6.315 2.980 ( 1.112 1.550 -1.714) 2.564 3.110 ( 3.763 -5.692 5.688) 8.883 3.190 ( 0.982 -1.493 1.783) 2.525 3.328 ( -0.924 3.961 7.124) 8.204 3.399 ( 1.478 -5.065 -3.717) 6.454 3.496 ( 0.223 -3.908 -2.032) 4.411 3.667 ( 7.142 -7.536 5.289) 11.653 3.699 ( 1.453 -11.623 -1.754) 11.844 3.805 ( 0.056 -10.033 -2.029) 10.236 3.808 ( 3.157 -8.883 3.169) 9.945 3.977 ( 0.384 -6.648 -1.968) 6.944 4.069 ( 7.181 -14.077 -0.264) 15.805 4.113 ( 0.234 -14.760 -3.229) 15.111 4.153 ( -1.933 -11.195 0.382) 11.367 4.235 ( 5.102 -5.105 -1.427) 7.357 4.250 ( 4.067 -13.396 0.360) 14.004 4.278 ( 2.943 -7.363 -1.137) 8.010 4.389 ( -2.274 -5.289 -1.084) 5.858 4.426 ( -0.466 -11.458 -5.620) 12.770 4.469 ( -2.015 -5.669 -8.330) 10.276 4.534 ( 5.614 -5.374 1.630) 7.940 4.603 ( 9.120 -4.912 -0.097) 10.359 4.635 ( 2.551 -9.305 -2.024) 9.859 4.732 ( 6.247 -3.014 4.737) 8.399 4.864 ( 7.753 -4.456 9.347) 12.936 5.003 ( 4.689 -1.602 0.528) 4.983 5.034 ( 3.026 -2.235 0.828) 3.852 5.087 ( 1.450 3.691 4.001) 5.633 5.272 ( 0.774 -2.023 0.907) 2.348 5.414 ( 0.185 4.248 -1.186) 4.414 5.579 ( 4.353 2.725 9.210) 10.545 5.619 ( -1.394 -0.202 0.171) 1.419 5.891 ( -1.501 5.403 -0.919) 5.682 6.133 ( -2.269 0.061 2.049) 3.058 6.324 ( -3.323 2.674 -0.167) 4.268 6.459 ( 1.724 4.590 1.108) 5.026 6.892 ( -0.987 -4.389 -2.121) 4.973 7.054 ( -2.277 1.426 -3.767) 4.626 7.257 ( -1.941 6.447 -1.067) 6.816 7.609 ( 0.200 0.361 -2.387) 2.422 7.953 ( -0.446 0.370 -0.082) 0.586 8.007 ( -0.383 2.349 0.955) 2.564 8.193 ( 2.980 0.966 -0.114) 3.135 8.274 ( -1.659 -0.832 -3.672) 4.114 8.327 ( -2.415 2.831 0.935) 3.836 8.598 ( 2.253 0.432 1.417) 2.697 8.700 ( 0.058 0.042 0.639) 0.643 8.751 ( 0.328 -0.898 -0.292) 1.000 8.802 ( -0.914 -0.179 0.715) 1.175 8.822 ( -0.468 -1.053 -0.694) 1.346 9.023 ( -2.098 2.674 0.240) 3.408 9.058 ( -0.831 2.382 -0.187) 2.530 9.214 ( -0.540 -0.129 -0.260) 0.613 9.254 ( 0.901 -1.517 0.547) 1.847 9.339 ( -1.284 2.235 -0.182) 2.584 9.414 ( 0.021 0.288 0.271) 0.396 9.650 ( -0.280 0.685 -0.121) 0.750 9.847 ( -0.917 2.893 0.284) 3.048 9.898 ( -0.922 1.792 -0.028) 2.016 10.101 ( -0.585 3.312 0.155) 3.367 10.151 ( -2.758 4.286 -0.141) 5.099 10.201 ( -0.121 0.663 -0.064) 0.677 10.621 ( -4.544 9.853 0.100) 10.851 10.673 ( -3.772 9.248 -0.011) 9.987 11.200 ( -1.217 3.968 0.138) 4.152 11.838 ( -2.976 4.234 0.034) 5.175 11.957 ( -0.424 1.507 0.820) 1.767 12.138 ( -1.075 4.510 -0.572) 4.672 12.157 ( -1.410 2.530 -0.357) 2.918 12.193 ( -0.334 3.482 0.586) 3.547 12.303 ( -1.212 4.668 0.848) 4.896 12.339 ( -2.161 5.183 -1.580) 5.833 12.381 ( -0.825 2.890 0.300) 3.021 12.446 ( 0.125 2.108 0.494) 2.168 12.518 ( -2.271 1.038 0.122) 2.500 12.556 ( 0.115 2.437 0.210) 2.449 12.683 ( -1.474 -0.155 0.425) 1.541 12.799 ( -1.321 1.563 -0.562) 2.122 12.837 ( -1.132 -1.122 0.597) 1.702 12.916 ( -0.023 1.317 -0.227) 1.337 13.039 ( -0.425 1.193 0.498) 1.361 13.078 ( -0.137 0.623 -0.593) 0.871 13.136 ( 0.462 0.487 -0.109) 0.680 13.205 ( -1.155 0.424 -0.635) 1.385 13.255 ( 0.171 1.454 0.251) 1.486 13.423 ( -1.450 0.155 1.338) 1.979 13.471 ( 0.147 2.708 -0.362) 2.736 13.543 ( -0.034 -1.354 -0.814) 1.580 13.627 ( 0.127 -0.511 0.118) 0.540 13.731 ( -1.299 -0.065 -0.277) 1.330 13.971 ( 0.797 -1.942 -0.094) 2.102 14.087 ( -0.653 -0.910 0.046) 1.121 14.178 ( -0.441 1.045 2.031) 2.326 14.213 ( -0.389 -0.218 0.878) 0.985 14.323 ( -0.632 -0.334 -5.703) 5.748 14.445 ( -2.600 0.251 -3.469) 4.342 14.484 ( 0.581 1.038 -0.053) 1.190 14.506 ( -0.232 0.635 -0.273) 0.729 14.666 ( 4.571 -0.101 3.488) 5.751 14.823 ( 1.944 1.793 2.559) 3.680 ======================= Grid point 73 (26/78) ======================= q-point: (-0.50 0.00 0.25) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.204 ( -2.384 1.753 -3.867) 4.869 2.261 ( -3.413 5.297 -7.878) 10.088 2.351 ( -4.019 2.475 -3.876) 6.108 2.434 ( 4.083 3.626 -0.672) 5.502 2.649 ( 1.684 -2.009 1.114) 2.848 2.713 ( 0.568 -12.717 -0.489) 12.739 2.865 ( -2.039 -5.122 -1.306) 5.665 2.934 ( -1.643 3.391 -1.203) 3.956 2.993 ( 4.563 0.650 -0.012) 4.609 3.085 ( -1.889 5.200 0.241) 5.538 3.220 ( -0.789 2.270 3.342) 4.116 3.285 ( 1.870 -1.686 4.754) 5.380 3.458 ( -0.988 -1.521 -4.675) 5.015 3.541 ( 2.087 -1.637 1.107) 2.874 3.670 ( -2.013 2.853 2.362) 4.215 3.837 ( 0.506 0.201 2.601) 2.657 3.860 ( -2.860 -2.604 -4.749) 6.125 3.951 ( -1.216 0.741 4.955) 5.155 4.061 ( -1.869 -4.123 0.719) 4.584 4.137 ( -3.303 7.856 -4.524) 9.649 4.267 ( -3.684 -1.522 -4.332) 5.886 4.287 ( -0.983 -0.261 -5.326) 5.423 4.316 ( -0.644 2.710 -1.099) 2.994 4.329 ( 0.858 2.131 -3.047) 3.816 4.342 ( 0.573 -3.115 -5.596) 6.430 4.392 ( 1.862 -3.377 0.767) 3.932 4.526 ( -1.940 2.165 0.270) 2.919 4.593 ( 2.527 1.520 -1.703) 3.405 4.611 ( -2.431 0.480 0.776) 2.596 4.698 ( -0.849 -4.305 -1.048) 4.512 4.742 ( 3.181 3.417 0.785) 4.734 4.824 ( -1.035 9.125 2.409) 9.494 4.921 ( 7.036 -2.919 9.222) 11.961 5.045 ( -2.274 -1.440 0.558) 2.749 5.116 ( -1.977 -5.783 -3.376) 6.982 5.174 ( 8.330 -2.730 9.216) 12.719 5.255 ( 0.285 -0.548 0.664) 0.906 5.461 ( 3.200 -1.811 5.274) 6.429 5.630 ( 3.669 -2.315 7.142) 8.356 5.713 ( 7.491 -3.885 11.368) 14.157 5.781 ( -0.538 4.082 -1.393) 4.346 6.148 ( -2.281 -0.968 7.323) 7.731 6.243 ( -2.401 -0.284 -5.040) 5.590 6.405 ( 2.330 3.639 -0.026) 4.321 6.874 ( -7.315 8.397 -11.192) 15.789 6.930 ( -4.538 -5.234 -8.805) 11.203 7.209 ( 1.166 0.821 2.298) 2.705 7.597 ( -0.554 -0.472 -2.846) 2.938 7.950 ( 0.059 -0.289 0.134) 0.324 7.983 ( 0.281 0.553 0.990) 1.168 8.186 ( -0.191 -0.567 -3.393) 3.445 8.258 ( -3.588 1.827 0.897) 4.125 8.298 ( 2.050 -1.793 -1.028) 2.911 8.631 ( 2.690 -0.308 1.759) 3.229 8.706 ( 0.196 0.000 2.467) 2.475 8.766 ( -0.326 -0.343 -0.238) 0.530 8.797 ( -0.208 0.281 0.426) 0.551 8.824 ( -0.306 0.137 -1.510) 1.546 8.987 ( 0.572 -0.227 0.937) 1.121 9.029 ( -0.192 -0.181 -0.289) 0.391 9.218 ( 0.617 -0.300 0.491) 0.844 9.288 ( 0.389 -1.548 -0.320) 1.628 9.289 ( -1.256 2.112 -0.359) 2.483 9.412 ( 0.102 0.014 0.184) 0.210 9.642 ( 0.002 -0.059 0.013) 0.060 9.815 ( -0.003 0.098 0.202) 0.225 9.880 ( 0.029 -0.042 0.076) 0.091 10.030 ( 0.204 -0.186 0.216) 0.351 10.132 ( 0.149 0.007 0.036) 0.153 10.195 ( -0.131 -0.061 -0.110) 0.182 10.502 ( 0.016 0.018 0.147) 0.149 10.570 ( -0.014 -0.059 0.012) 0.061 11.159 ( 0.093 -0.021 0.254) 0.271 11.782 ( 0.094 -0.052 0.077) 0.132 11.952 ( 0.775 -0.267 1.578) 1.778 12.083 ( 0.287 0.191 -0.260) 0.432 12.133 ( -0.615 -0.563 -0.993) 1.297 12.157 ( -0.309 0.268 0.394) 0.567 12.242 ( -0.283 0.468 -0.041) 0.549 12.282 ( 0.447 -0.209 -0.539) 0.730 12.348 ( -0.399 0.193 -0.218) 0.494 12.434 ( 0.524 0.090 0.735) 0.908 12.496 ( 0.213 -0.139 0.175) 0.308 12.544 ( 0.259 -0.159 0.550) 0.629 12.679 ( 0.282 -0.049 0.674) 0.732 12.778 ( 0.265 0.075 -0.113) 0.297 12.850 ( -0.232 -0.421 0.620) 0.785 12.896 ( -0.232 0.363 -0.831) 0.936 13.030 ( 0.401 -0.002 0.699) 0.806 13.067 ( 0.033 0.032 -0.902) 0.903 13.129 ( -0.248 0.395 -0.398) 0.613 13.193 ( -1.268 -0.803 -0.847) 1.723 13.244 ( 0.764 0.559 0.682) 1.166 13.416 ( -0.506 0.168 0.218) 0.576 13.441 ( 0.330 0.240 0.125) 0.427 13.558 ( -0.308 -0.748 -0.519) 0.961 13.623 ( -0.147 0.752 -0.350) 0.843 13.724 ( -0.003 -0.049 -0.182) 0.188 14.001 ( 0.357 -0.277 -0.030) 0.453 14.092 ( 0.121 0.080 0.028) 0.148 14.157 ( 0.413 1.208 1.897) 2.286 14.219 ( 0.174 -0.085 1.153) 1.169 14.313 ( -1.191 -1.743 -5.191) 5.604 14.399 ( -3.896 -0.313 -4.411) 5.894 14.476 ( 0.039 0.295 -0.171) 0.343 14.498 ( -0.034 -0.124 -0.268) 0.297 14.709 ( 1.928 0.401 3.553) 4.062 14.834 ( 1.952 0.225 3.007) 3.592 ======================= Grid point 74 (27/78) ======================= q-point: (-0.38 0.00 0.25) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( -14.712 21.137 -3.162) 25.946 1.935 ( -8.804 18.547 -1.871) 20.616 2.358 ( 0.527 4.398 1.837) 4.795 2.514 ( 4.903 -2.440 1.219) 5.611 2.611 ( -1.737 1.450 -8.913) 9.196 2.707 ( -6.576 8.749 -2.546) 11.237 2.903 ( -4.107 -1.329 -5.094) 6.677 2.920 ( 1.341 1.767 0.334) 2.244 2.961 ( -4.348 0.811 2.375) 5.020 3.089 ( 4.609 -0.082 5.840) 7.440 3.192 ( -4.900 4.022 -0.126) 6.341 3.282 ( -0.012 0.744 4.935) 4.991 3.431 ( -2.956 1.467 -5.169) 6.133 3.507 ( -4.454 3.770 1.214) 5.960 3.642 ( -1.082 3.050 2.512) 4.097 3.722 ( -2.430 13.789 0.465) 14.009 3.788 ( -10.133 8.256 -3.530) 13.539 3.865 ( -2.575 6.724 3.746) 8.116 3.897 ( 0.037 5.142 5.100) 7.242 3.997 ( -6.598 18.428 -1.616) 19.640 4.039 ( -1.655 9.368 -0.466) 9.525 4.155 ( -3.417 8.892 -2.042) 9.742 4.198 ( -6.583 6.390 -6.746) 11.388 4.238 ( -0.924 11.672 2.347) 11.941 4.249 ( 1.170 15.144 -2.872) 15.458 4.313 ( -1.040 2.400 0.046) 2.616 4.381 ( 0.593 10.549 -0.863) 10.601 4.412 ( -5.179 12.624 -2.078) 13.803 4.541 ( -5.446 9.307 -0.864) 10.818 4.605 ( -4.875 2.708 -2.264) 6.018 4.631 ( -0.929 13.042 -0.904) 13.107 4.766 ( -2.924 -2.556 0.747) 3.955 5.015 ( -5.515 6.439 -0.411) 8.488 5.045 ( 0.056 -3.392 2.248) 4.070 5.069 ( -1.878 -2.735 2.999) 4.472 5.279 ( 0.163 -5.603 0.323) 5.614 5.395 ( 4.352 -0.478 4.005) 5.934 5.503 ( 5.724 0.229 13.297) 14.479 5.691 ( 0.765 -2.112 -4.989) 5.472 5.752 ( -1.767 -0.695 -4.223) 4.631 5.923 ( 6.196 -4.766 7.730) 10.994 6.080 ( -5.802 1.380 0.797) 6.017 6.319 ( 1.091 -2.123 1.101) 2.629 6.431 ( 5.454 -4.139 8.223) 10.701 6.659 ( -5.301 3.279 -9.039) 10.980 6.952 ( -3.171 -5.106 -7.764) 9.818 7.183 ( 0.089 3.606 0.861) 3.709 7.607 ( -0.445 -1.874 -1.895) 2.701 7.961 ( 0.374 -0.559 -0.149) 0.688 8.000 ( 0.704 -1.466 0.785) 1.806 8.200 ( -3.167 0.867 0.734) 3.364 8.220 ( 0.321 -3.986 -2.739) 4.847 8.347 ( 1.252 -1.796 -0.070) 2.191 8.657 ( 1.333 -0.001 -0.608) 1.465 8.719 ( 1.106 0.557 2.938) 3.188 8.756 ( -0.644 0.347 -0.146) 0.746 8.794 ( -0.412 -0.534 -0.598) 0.901 8.809 ( 0.586 1.165 -0.411) 1.367 9.035 ( 2.122 -2.404 0.265) 3.217 9.059 ( 0.799 -2.448 -0.238) 2.586 9.225 ( -0.440 1.345 -0.652) 1.558 9.246 ( 0.580 0.590 1.026) 1.318 9.322 ( 0.554 -2.052 -0.236) 2.138 9.419 ( 0.218 -0.589 0.248) 0.675 9.651 ( 0.254 -0.661 -0.120) 0.718 9.847 ( 1.122 -3.008 0.286) 3.223 9.898 ( 0.711 -1.620 -0.029) 1.769 10.112 ( 0.569 -2.718 0.165) 2.782 10.156 ( 3.443 -5.607 -0.135) 6.581 10.199 ( -0.075 -0.635 -0.078) 0.644 10.622 ( 4.616 -9.717 0.095) 10.758 10.675 ( 3.698 -9.436 -0.007) 10.134 11.202 ( 1.282 -3.837 0.138) 4.048 11.844 ( 3.175 -4.690 0.025) 5.664 11.990 ( 1.719 -1.891 1.299) 2.867 12.115 ( 0.112 -1.739 -1.371) 2.218 12.160 ( 0.440 -4.745 -0.317) 4.776 12.191 ( 0.743 -3.804 0.947) 3.990 12.289 ( 1.619 -3.463 0.339) 3.838 12.342 ( 2.163 -4.335 -1.110) 4.971 12.380 ( 0.704 -5.303 0.293) 5.357 12.451 ( 0.392 -1.332 0.484) 1.470 12.531 ( 2.800 -1.722 0.095) 3.289 12.567 ( 0.203 -2.312 0.237) 2.333 12.691 ( 1.854 0.418 0.482) 1.961 12.795 ( 1.563 -0.608 -0.407) 1.725 12.845 ( 0.736 0.698 0.422) 1.099 12.902 ( -0.357 -1.380 -0.245) 1.446 13.045 ( 0.500 -0.766 0.759) 1.189 13.078 ( 0.635 -1.315 -0.971) 1.754 13.118 ( -0.769 0.055 0.018) 0.771 13.203 ( -0.734 -1.636 -0.823) 1.973 13.257 ( 1.319 -0.692 0.428) 1.550 13.411 ( 0.417 0.276 1.250) 1.347 13.470 ( 0.451 -2.636 -0.512) 2.723 13.558 ( -0.320 0.291 -0.737) 0.855 13.600 ( -0.199 1.534 0.194) 1.559 13.731 ( 1.291 0.098 -0.250) 1.319 13.979 ( -0.577 2.296 -0.089) 2.369 14.087 ( 0.832 0.953 0.045) 1.266 14.157 ( 1.069 0.691 1.323) 1.836 14.238 ( 1.494 -0.831 2.073) 2.687 14.324 ( -2.060 -2.826 -5.228) 6.290 14.349 ( -3.943 0.287 -3.277) 5.135 14.477 ( -0.143 -0.727 0.216) 0.771 14.507 ( 0.110 -0.768 -0.203) 0.802 14.712 ( -1.181 0.597 2.600) 2.917 14.868 ( 0.976 -1.293 1.975) 2.554 ======================= Grid point 75 (28/78) ======================= q-point: (-0.25 0.00 0.25) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( -15.003 21.698 10.198) 28.283 1.433 ( -12.699 26.041 4.866) 29.378 2.228 ( -5.912 10.982 -5.258) 13.535 2.385 ( -6.763 11.062 -1.439) 13.045 2.410 ( -3.547 19.925 -0.350) 20.242 2.521 ( -8.929 24.881 -1.621) 26.484 2.742 ( -1.402 6.204 9.117) 11.117 2.783 ( -5.999 7.620 -1.428) 9.803 2.854 ( -2.239 5.494 0.408) 5.947 2.890 ( -5.758 11.364 0.362) 12.744 3.166 ( -0.052 5.410 1.182) 5.538 3.224 ( -3.378 1.248 -1.156) 3.782 3.309 ( -0.654 10.230 -1.561) 10.369 3.417 ( -8.987 9.414 -1.855) 13.147 3.456 ( -4.942 6.997 -6.426) 10.709 3.524 ( -4.905 5.766 -0.308) 7.576 3.557 ( -1.695 5.235 1.643) 5.742 3.617 ( -5.793 13.347 2.663) 14.792 3.690 ( -1.288 13.108 2.638) 13.432 3.774 ( -1.900 14.560 -1.278) 14.739 3.812 ( 1.084 17.341 2.846) 17.606 3.889 ( -1.786 9.640 0.516) 9.818 3.919 ( -5.688 7.771 -0.501) 9.643 4.026 ( -4.441 5.801 -4.868) 8.779 4.080 ( -5.957 13.773 -3.297) 15.364 4.133 ( -0.952 9.437 2.168) 9.729 4.185 ( -0.179 7.860 1.325) 7.973 4.270 ( -0.497 3.789 2.777) 4.723 4.286 ( -1.211 13.120 1.599) 13.272 4.472 ( -0.816 0.625 -2.152) 2.385 4.487 ( -6.493 4.141 -0.859) 7.749 4.718 ( -7.826 1.142 -6.021) 9.940 4.885 ( -2.153 1.133 4.794) 5.376 5.005 ( -4.285 2.016 -0.431) 4.755 5.164 ( 2.596 -1.168 1.360) 3.155 5.351 ( 1.972 -1.931 2.269) 3.573 5.403 ( -3.344 -2.576 -4.058) 5.856 5.557 ( -4.097 3.496 -11.500) 12.698 5.664 ( -2.901 -2.911 -8.632) 9.561 5.786 ( 5.683 -1.841 9.388) 11.128 6.004 ( -1.527 -2.190 -5.196) 5.841 6.065 ( -0.297 -1.298 5.513) 5.672 6.330 ( 0.353 -0.113 2.494) 2.521 6.597 ( -1.860 -0.735 -1.577) 2.547 6.612 ( 1.869 -5.096 9.183) 10.668 7.009 ( 1.080 -3.492 -1.998) 4.165 7.127 ( 1.894 3.018 5.515) 6.566 7.628 ( -0.461 -1.428 -1.517) 2.134 7.974 ( 0.611 -0.433 -0.476) 0.887 8.040 ( 0.627 -1.752 0.645) 1.969 8.165 ( -2.476 -0.066 0.569) 2.542 8.297 ( 1.766 -3.490 -1.892) 4.345 8.385 ( -0.316 -2.365 0.389) 2.417 8.660 ( 0.457 0.256 -0.787) 0.946 8.703 ( -0.692 1.239 -1.979) 2.435 8.762 ( 0.770 -0.252 2.075) 2.228 8.791 ( 0.439 0.555 -0.441) 0.834 8.814 ( 0.531 -1.023 -0.349) 1.204 9.090 ( 1.829 -1.437 -0.122) 2.329 9.106 ( 0.956 -1.596 -0.127) 1.865 9.193 ( -0.418 0.748 0.082) 0.861 9.257 ( 0.502 -0.138 0.127) 0.535 9.367 ( 0.812 -2.060 0.486) 2.267 9.436 ( -0.003 -0.910 0.021) 0.911 9.666 ( 0.158 -0.829 -0.180) 0.863 9.935 ( 1.688 -4.853 0.110) 5.140 9.943 ( 1.178 -2.244 0.064) 2.535 10.115 ( -0.590 0.160 -0.151) 0.629 10.212 ( 0.129 -0.919 0.009) 0.928 10.364 ( 4.601 -9.926 -0.769) 10.967 10.872 ( 6.308 -11.338 0.043) 12.975 10.929 ( 4.584 -13.174 -0.089) 13.949 11.305 ( 1.848 -5.680 0.080) 5.974 11.973 ( 4.074 -3.971 -0.759) 5.739 12.051 ( 1.488 -3.926 -0.564) 4.237 12.158 ( 0.391 -3.587 1.126) 3.780 12.253 ( 0.472 -4.840 -0.152) 4.865 12.321 ( 1.791 -8.230 0.571) 8.442 12.347 ( 0.712 -1.258 0.734) 1.621 12.437 ( 2.393 -4.794 -0.164) 5.360 12.484 ( 0.495 -3.116 -0.431) 3.184 12.560 ( 2.691 -7.393 -1.541) 8.017 12.604 ( 2.712 -5.223 -0.168) 5.888 12.630 ( 1.282 -4.072 0.389) 4.287 12.693 ( 1.821 1.658 0.110) 2.465 12.811 ( 2.177 0.390 -0.222) 2.222 12.874 ( 2.401 -1.752 0.385) 2.997 12.925 ( -0.093 -1.391 0.382) 1.445 13.070 ( -0.090 -1.593 0.959) 1.861 13.109 ( 0.247 -1.537 -1.094) 1.903 13.117 ( 0.100 -0.456 0.954) 1.062 13.224 ( -0.043 -1.208 -0.637) 1.366 13.296 ( 1.301 -2.256 -0.728) 2.704 13.424 ( 0.748 -0.270 2.798) 2.908 13.526 ( 0.641 -3.180 -0.731) 3.325 13.534 ( -0.450 1.397 -2.073) 2.540 13.574 ( 0.032 1.665 1.688) 2.371 13.739 ( 2.030 0.954 -0.277) 2.260 13.928 ( 0.206 3.068 0.183) 3.080 14.076 ( 1.385 1.563 0.000) 2.088 14.162 ( 1.422 0.572 1.920) 2.457 14.258 ( -2.601 0.157 -2.417) 3.555 14.306 ( -0.850 0.241 0.721) 1.140 14.335 ( -1.065 -2.455 -2.282) 3.517 14.504 ( 0.465 -1.913 0.240) 1.983 14.519 ( -0.578 -0.750 0.017) 0.947 14.688 ( -2.955 0.227 0.762) 3.060 14.903 ( -0.555 -1.976 0.290) 2.073 ======================= Grid point 76 (29/78) ======================= q-point: (-0.12 0.00 0.25) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( -11.303 24.384 17.939) 32.313 0.941 ( -4.671 19.632 33.913) 39.463 1.492 ( -20.265 45.861 25.793) 56.384 1.933 ( -8.011 20.440 -18.943) 28.996 2.004 ( -5.455 13.712 -18.506) 23.669 2.312 ( 1.988 4.913 11.317) 12.497 2.500 ( -6.197 20.751 9.187) 23.525 2.608 ( -8.658 7.326 5.834) 12.754 2.692 ( -3.601 3.232 0.050) 4.839 2.800 ( 0.121 0.975 5.085) 5.179 2.955 ( -2.567 15.948 -4.147) 16.677 3.016 ( -1.713 4.968 -2.763) 5.937 3.136 ( -4.872 8.355 -8.278) 12.730 3.237 ( -1.410 12.660 -5.422) 13.845 3.259 ( -1.818 1.766 -6.747) 7.208 3.334 ( -0.300 10.057 -1.638) 10.194 3.398 ( -6.645 7.943 -1.349) 10.443 3.418 ( -4.041 3.841 -2.650) 6.173 3.511 ( 1.780 7.601 -1.891) 8.032 3.529 ( 0.057 9.772 2.906) 10.195 3.711 ( -0.491 -3.889 0.224) 3.926 3.769 ( -1.203 11.270 -2.688) 11.649 3.807 ( 0.131 4.065 1.367) 4.291 3.813 ( 0.047 3.503 2.237) 4.157 3.891 ( -4.066 1.205 0.850) 4.325 4.027 ( -1.269 2.822 6.142) 6.877 4.078 ( -1.070 5.008 5.484) 7.503 4.148 ( -0.592 3.926 2.547) 4.717 4.244 ( -1.623 0.511 -0.297) 1.727 4.359 ( -2.775 3.081 0.288) 4.157 4.507 ( 0.831 -0.905 3.686) 3.885 4.629 ( -0.478 -0.903 -8.414) 8.476 4.893 ( 0.196 1.225 3.561) 3.771 4.941 ( -4.277 -1.154 2.268) 4.977 5.161 ( 1.065 2.681 0.778) 2.987 5.298 ( -13.671 1.443 -28.528) 31.667 5.386 ( -4.542 -1.062 -5.909) 7.528 5.444 ( 1.281 -2.271 -1.889) 3.220 5.659 ( 0.564 0.152 -7.371) 7.394 5.919 ( 3.677 -2.704 9.648) 10.673 5.985 ( -3.116 -1.117 -7.872) 8.540 6.101 ( 1.446 -0.024 5.632) 5.814 6.359 ( 1.323 -0.449 5.960) 6.121 6.605 ( -0.045 -0.802 3.447) 3.540 6.677 ( -2.548 -1.892 0.492) 3.212 7.014 ( 0.430 1.677 0.524) 1.809 7.215 ( 6.411 -1.821 15.412) 16.791 7.636 ( -0.367 -0.614 -1.593) 1.746 7.980 ( 0.673 0.361 -0.914) 1.191 8.071 ( 0.313 -0.895 1.241) 1.562 8.154 ( -0.869 -0.357 0.005) 0.939 8.339 ( 0.663 -0.587 -1.855) 2.056 8.436 ( 0.221 -2.972 0.427) 3.011 8.650 ( -0.514 0.916 1.210) 1.602 8.672 ( -0.440 0.231 -3.923) 3.955 8.776 ( 0.039 -0.214 0.829) 0.857 8.791 ( 0.870 0.347 0.965) 1.345 8.832 ( 0.138 -0.821 -2.056) 2.218 9.120 ( 1.480 -0.206 0.232) 1.512 9.130 ( 0.175 -0.742 0.089) 0.768 9.194 ( 0.551 -0.351 0.266) 0.705 9.259 ( -0.442 -0.133 -0.639) 0.788 9.405 ( 0.600 -1.048 1.176) 1.686 9.445 ( -0.357 -0.475 -0.367) 0.698 9.679 ( 0.071 -0.545 -0.057) 0.553 9.985 ( 0.370 -1.631 -0.619) 1.783 10.034 ( 1.869 -3.611 0.758) 4.136 10.105 ( -0.496 0.179 -0.307) 0.609 10.230 ( 0.204 -0.846 0.242) 0.904 10.537 ( 1.941 -5.918 -2.113) 6.577 11.095 ( 4.204 -7.208 0.229) 8.348 11.164 ( 2.763 -8.541 -0.258) 8.981 11.418 ( 1.637 -4.606 0.353) 4.901 12.014 ( 0.835 -0.058 -3.100) 3.211 12.163 ( 2.235 -4.798 -0.208) 5.297 12.237 ( 0.597 -3.381 2.506) 4.251 12.336 ( 0.404 -3.563 -0.056) 3.587 12.362 ( 0.286 -0.331 1.305) 1.377 12.468 ( 1.307 -5.863 0.494) 6.028 12.525 ( 0.645 -2.415 -0.669) 2.587 12.541 ( 0.598 -2.676 0.126) 2.745 12.621 ( 1.341 -1.237 -2.496) 3.092 12.671 ( 0.980 0.047 -1.943) 2.176 12.690 ( 1.030 -1.037 -0.341) 1.501 12.810 ( 2.397 -8.858 1.074) 9.239 12.836 ( 2.844 -0.254 0.160) 2.860 12.918 ( 0.343 -0.527 1.441) 1.572 12.963 ( 2.250 -1.802 0.500) 2.926 13.107 ( -1.091 -2.877 -0.135) 3.080 13.127 ( -0.242 -1.170 0.067) 1.196 13.136 ( 0.749 -0.589 1.023) 1.398 13.228 ( 0.405 1.133 -0.002) 1.203 13.344 ( 0.604 -2.163 -1.835) 2.900 13.446 ( 0.454 -0.292 3.219) 3.264 13.496 ( -0.597 1.386 -2.334) 2.779 13.546 ( 0.193 1.718 1.317) 2.173 13.586 ( 0.501 -2.531 -0.509) 2.630 13.736 ( 1.810 1.411 -0.114) 2.298 13.887 ( 1.059 2.477 1.190) 2.945 14.062 ( 1.201 1.504 0.077) 1.926 14.176 ( -1.339 -0.086 0.942) 1.639 14.202 ( 0.914 1.614 -0.709) 1.985 14.290 ( -2.586 -0.450 -2.209) 3.431 14.388 ( 2.946 -1.386 3.903) 5.083 14.511 ( -1.196 0.170 -0.377) 1.265 14.551 ( 0.022 -2.486 -0.075) 2.487 14.653 ( -3.010 0.322 -1.326) 3.305 14.922 ( -1.567 -1.536 -1.307) 2.554 ======================= Grid point 78 (30/78) ======================= q-point: ( 0.12 0.12 0.25) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( 20.704 0.000 20.988) 29.481 1.144 ( 18.158 0.000 27.963) 33.342 1.667 ( 16.092 0.000 -22.360) 27.549 1.715 ( 13.024 0.000 -21.948) 25.522 2.112 ( 30.765 0.000 36.589) 47.804 2.381 ( 7.351 0.000 8.744) 11.423 2.570 ( 4.445 0.000 -0.802) 4.516 2.605 ( 8.848 0.000 6.869) 11.201 2.649 ( 14.303 0.000 6.097) 15.549 2.765 ( 3.293 0.000 -22.392) 22.633 2.902 ( 5.949 0.000 2.338) 6.392 2.981 ( 0.721 0.000 2.373) 2.480 2.994 ( 5.609 0.000 -3.869) 6.814 3.132 ( 3.759 0.000 -8.191) 9.013 3.165 ( 2.635 0.000 1.006) 2.820 3.177 ( 5.350 0.000 -2.337) 5.839 3.243 ( 4.085 0.000 -9.138) 10.010 3.357 ( 7.122 0.000 1.401) 7.259 3.527 ( 0.797 0.000 -1.041) 1.311 3.572 ( 6.271 0.000 -4.147) 7.518 3.662 ( 1.105 0.000 -2.788) 2.999 3.716 ( 3.924 0.000 -2.128) 4.464 3.878 ( 4.865 0.000 1.929) 5.234 3.974 ( 7.201 0.000 -3.113) 7.845 4.017 ( 3.058 0.000 1.707) 3.502 4.026 ( 4.588 0.000 3.651) 5.863 4.121 ( 1.588 0.000 6.196) 6.396 4.154 ( 2.399 0.000 5.197) 5.723 4.337 ( 8.064 0.000 3.078) 8.632 4.432 ( 6.162 0.000 -2.433) 6.625 4.478 ( 0.795 0.000 -2.319) 2.451 4.625 ( -2.555 -0.000 -6.517) 7.000 4.861 ( -2.335 -0.000 2.746) 3.604 4.921 ( 6.079 0.000 6.327) 8.774 4.950 ( -5.642 -0.000 -13.853) 14.958 5.095 ( 4.045 0.000 3.539) 5.374 5.152 ( 0.219 0.000 0.216) 0.308 5.550 ( 3.791 0.000 -3.611) 5.235 5.593 ( -0.545 -0.000 -4.828) 4.859 5.840 ( 0.244 0.000 -1.490) 1.510 6.028 ( -2.403 -0.000 1.761) 2.979 6.163 ( -0.992 -0.000 3.307) 3.452 6.401 ( -0.577 -0.000 -0.079) 0.582 6.625 ( 0.042 0.000 1.471) 1.472 6.750 ( 2.175 0.000 3.540) 4.155 7.038 ( 0.613 0.000 2.868) 2.933 7.469 ( 0.058 0.000 5.351) 5.351 7.631 ( 0.800 0.000 -1.749) 1.923 7.970 ( -0.217 -0.000 -0.419) 0.472 8.116 ( 0.808 0.000 1.882) 2.048 8.163 ( 1.039 0.000 -0.068) 1.042 8.306 ( -1.103 -0.000 -2.456) 2.693 8.451 ( -1.558 -0.000 -0.293) 1.586 8.622 ( -0.305 -0.000 -2.058) 2.080 8.707 ( 2.148 0.000 2.520) 3.312 8.768 ( -0.960 -0.000 0.732) 1.208 8.787 ( -1.120 -0.000 -3.755) 3.919 8.798 ( -0.804 -0.000 0.395) 0.896 9.101 ( -2.407 -0.000 -0.172) 2.413 9.139 ( -0.706 -0.000 0.190) 0.731 9.216 ( -1.114 -0.000 -0.491) 1.218 9.234 ( 0.879 0.000 0.524) 1.024 9.423 ( 0.017 0.000 1.249) 1.249 9.444 ( -0.619 -0.000 -0.629) 0.882 9.687 ( -0.072 -0.000 -0.308) 0.316 9.972 ( -1.573 -0.000 0.073) 1.575 10.060 ( -2.861 -0.000 -0.095) 2.862 10.109 ( 0.833 0.000 -0.282) 0.879 10.237 ( -0.513 -0.000 0.238) 0.565 10.520 ( -5.246 -0.000 -1.826) 5.554 11.107 ( -7.761 -0.000 0.037) 7.761 11.186 ( -6.188 -0.000 -0.120) 6.189 11.446 ( -2.935 -0.000 0.248) 2.946 11.943 ( -2.932 -0.000 -1.416) 3.256 12.165 ( -4.832 -0.000 -0.066) 4.833 12.296 ( 0.199 0.000 0.985) 1.005 12.351 ( -1.636 -0.000 1.956) 2.550 12.382 ( -1.058 -0.000 -0.152) 1.069 12.509 ( -0.618 -0.000 -1.172) 1.325 12.530 ( -1.355 -0.000 0.463) 1.432 12.554 ( -2.480 -0.000 -0.104) 2.482 12.577 ( -3.048 -0.000 -0.903) 3.179 12.621 ( -3.171 -0.000 -0.325) 3.188 12.687 ( -1.496 -0.000 -0.756) 1.676 12.810 ( -3.810 -0.000 0.202) 3.815 12.870 ( -4.272 -0.000 0.096) 4.273 12.927 ( -5.512 -0.000 1.401) 5.688 12.965 ( -1.592 -0.000 -0.643) 1.717 13.082 ( 0.544 0.000 1.574) 1.665 13.134 ( -0.463 -0.000 -0.028) 0.464 13.166 ( -0.676 -0.000 -0.104) 0.684 13.241 ( 0.893 0.000 0.171) 0.909 13.350 ( -0.299 -0.000 -1.236) 1.272 13.450 ( -1.995 -0.000 1.819) 2.699 13.458 ( 0.505 0.000 -0.854) 0.993 13.545 ( 0.656 0.000 0.247) 0.701 13.610 ( -0.271 -0.000 -0.290) 0.397 13.697 ( -3.728 -0.000 -0.223) 3.734 13.873 ( -1.191 -0.000 0.507) 1.294 14.031 ( -1.840 -0.000 0.473) 1.899 14.140 ( 1.730 0.000 1.110) 2.055 14.256 ( 1.279 0.000 0.796) 1.506 14.331 ( 1.442 0.000 -4.841) 5.051 14.501 ( 1.618 0.000 0.515) 1.698 14.505 ( 0.134 0.000 -0.969) 0.978 14.566 ( -1.002 -0.000 -0.508) 1.124 14.616 ( 4.748 0.000 1.990) 5.148 14.899 ( 1.445 0.000 0.658) 1.587 ======================= Grid point 79 (31/78) ======================= q-point: ( 0.25 0.12 0.25) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 11.079 -10.983 20.165) 25.495 1.591 ( 16.609 -28.952 10.391) 34.958 1.812 ( 19.500 -7.692 -12.633) 24.475 1.991 ( 11.690 -14.511 -20.416) 27.641 2.409 ( 4.912 -5.150 4.336) 8.334 2.665 ( 7.846 -13.577 6.168) 16.850 2.715 ( 3.629 -8.516 -2.744) 9.656 2.776 ( 11.492 -4.660 5.187) 13.442 2.846 ( 18.884 -2.780 1.885) 19.181 2.886 ( 10.913 -7.291 4.157) 13.767 2.995 ( 9.094 -4.558 -4.273) 11.033 3.052 ( 7.732 -8.448 4.295) 12.232 3.118 ( 2.692 -2.790 -6.181) 7.296 3.255 ( 8.017 -2.778 -3.381) 9.134 3.283 ( 4.057 -15.318 -2.311) 16.014 3.334 ( 4.062 -7.797 -3.942) 9.635 3.360 ( 5.648 -14.431 2.564) 15.708 3.470 ( 2.936 -5.716 -1.040) 6.510 3.609 ( 3.311 -4.674 -1.797) 6.004 3.679 ( 4.795 -9.478 -3.999) 11.350 3.732 ( 3.192 -3.630 -3.375) 5.895 3.802 ( 5.255 -9.029 -1.058) 10.500 3.940 ( 2.618 0.792 2.164) 3.488 4.000 ( 7.768 0.232 -2.797) 8.259 4.067 ( 6.029 -3.749 -2.055) 7.391 4.121 ( 7.850 -0.811 3.146) 8.496 4.146 ( 3.654 -1.584 5.249) 6.589 4.300 ( 0.695 -5.167 -3.608) 6.340 4.393 ( 3.264 -2.900 -8.516) 9.570 4.427 ( 1.150 -2.388 -2.458) 3.615 4.561 ( 11.009 -0.108 4.692) 11.968 4.725 ( 7.402 -0.259 5.400) 9.166 4.787 ( 1.254 1.154 2.817) 3.292 4.892 ( -3.307 -2.788 -1.266) 4.507 4.982 ( 5.740 0.780 1.303) 5.937 5.179 ( 0.595 -2.178 0.172) 2.264 5.203 ( 9.758 0.661 11.610) 15.180 5.549 ( 3.298 2.384 -4.352) 5.958 5.575 ( -1.178 -0.081 -3.654) 3.840 5.815 ( 1.725 4.611 3.483) 6.031 5.989 ( -3.781 0.908 -0.507) 3.921 6.152 ( -2.666 0.309 2.213) 3.479 6.391 ( -0.393 0.740 -0.226) 0.868 6.607 ( 1.440 3.342 3.429) 5.000 6.786 ( -0.250 -2.051 -1.086) 2.334 7.053 ( 0.055 -0.389 0.599) 0.716 7.436 ( -3.656 2.581 -2.135) 4.958 7.632 ( 1.391 0.540 -1.385) 2.036 7.964 ( -0.636 0.097 -0.483) 0.804 8.102 ( 0.075 2.285 0.273) 2.303 8.190 ( 2.327 -1.097 0.342) 2.595 8.282 ( -1.597 0.767 -1.583) 2.375 8.418 ( -2.022 1.654 0.165) 2.617 8.615 ( 0.445 0.299 -0.580) 0.789 8.722 ( 1.203 0.884 0.336) 1.530 8.747 ( -0.796 0.640 -0.045) 1.022 8.782 ( -1.178 -0.999 -0.506) 1.626 8.791 ( -1.013 -0.247 0.077) 1.045 9.071 ( -2.922 0.342 -0.170) 2.946 9.124 ( -1.063 0.781 -0.023) 1.320 9.205 ( -0.570 -0.103 -0.698) 0.907 9.242 ( 0.900 0.406 1.131) 1.501 9.413 ( -1.432 1.277 0.209) 1.930 9.430 ( 0.066 0.518 0.348) 0.627 9.678 ( -0.415 0.614 -0.448) 0.866 9.944 ( -1.585 1.560 0.664) 2.321 9.998 ( -3.436 2.798 -0.600) 4.471 10.117 ( 0.966 0.064 0.021) 0.968 10.225 ( -0.468 0.711 0.020) 0.852 10.406 ( -7.139 5.160 -0.389) 8.818 10.956 ( -9.745 6.544 -0.175) 11.740 11.043 ( -8.198 7.601 0.131) 11.180 11.374 ( -3.249 4.174 -0.016) 5.290 11.913 ( -3.454 -0.305 -0.015) 3.467 12.074 ( -5.673 3.731 0.125) 6.791 12.264 ( -0.795 3.128 0.638) 3.289 12.315 ( -1.149 4.788 -0.181) 4.928 12.347 ( -1.382 0.680 0.979) 1.825 12.463 ( -2.296 4.204 -0.915) 4.877 12.492 ( -3.063 3.741 0.340) 4.847 12.506 ( -2.614 2.648 0.360) 3.738 12.519 ( -2.289 -0.487 -0.416) 2.376 12.589 ( -3.005 0.970 0.139) 3.161 12.657 ( -2.054 0.745 -0.166) 2.192 12.752 ( -4.712 6.371 -0.114) 7.925 12.786 ( -3.260 -1.008 -0.114) 3.415 12.847 ( -7.688 0.576 -0.141) 7.711 12.954 ( -0.341 0.601 0.226) 0.728 13.090 ( 0.345 0.365 1.268) 1.364 13.111 ( -0.570 1.829 0.196) 1.925 13.150 ( -0.383 0.517 0.026) 0.644 13.246 ( 0.490 0.710 -0.763) 1.152 13.324 ( -0.396 1.998 -0.839) 2.203 13.423 ( -2.474 0.258 1.668) 2.995 13.482 ( 0.283 -1.571 -0.473) 1.665 13.572 ( 0.477 -1.634 0.046) 1.703 13.583 ( -0.122 2.073 -0.475) 2.130 13.675 ( -4.849 -2.394 -0.432) 5.425 13.883 ( -1.113 -2.372 -0.364) 2.645 14.033 ( -1.248 -1.579 0.708) 2.133 14.169 ( 2.271 -0.296 1.819) 2.925 14.264 ( 2.156 1.616 1.918) 3.307 14.326 ( 1.165 0.023 -6.432) 6.537 14.477 ( -1.794 1.083 -4.403) 4.876 14.504 ( -1.225 -0.104 -0.148) 1.238 14.541 ( -0.799 1.189 -0.151) 1.440 14.687 ( 7.499 0.742 3.954) 8.510 14.908 ( 2.750 2.022 2.390) 4.166 ======================= Grid point 80 (32/78) ======================= q-point: ( 0.38 0.12 0.25) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( 6.441 -12.856 5.294) 15.323 2.077 ( 13.068 -11.910 2.296) 17.830 2.204 ( 13.495 -7.230 -13.906) 20.682 2.295 ( 10.366 -16.615 1.660) 19.654 2.552 ( 1.681 -8.187 -4.808) 9.642 2.712 ( -1.626 2.364 -5.616) 6.307 2.876 ( 5.797 -0.307 3.724) 6.897 2.967 ( 7.325 0.121 -0.427) 7.338 3.030 ( 6.176 -2.863 -2.583) 7.280 3.106 ( 1.307 -11.333 -0.562) 11.422 3.174 ( 9.925 4.384 4.839) 11.880 3.283 ( 5.859 -9.493 5.104) 12.268 3.356 ( 6.292 -12.828 1.513) 14.368 3.397 ( 0.098 0.777 -2.415) 2.539 3.471 ( 12.149 -16.415 0.997) 20.446 3.595 ( 0.045 -9.842 -3.283) 10.375 3.646 ( 5.590 -9.983 -1.104) 11.495 3.728 ( 1.170 -6.820 -0.766) 6.961 3.761 ( 1.445 -20.426 -1.830) 20.558 3.851 ( 6.206 -10.501 1.820) 12.333 3.920 ( 2.940 -14.717 -3.918) 15.511 3.934 ( 1.306 -3.864 0.402) 4.099 4.088 ( 2.870 -10.028 2.475) 10.720 4.174 ( 8.891 -7.768 -3.249) 12.245 4.183 ( 0.144 -5.455 -4.198) 6.884 4.235 ( 3.420 -6.941 0.265) 7.742 4.261 ( 4.891 -3.119 -0.885) 5.868 4.369 ( 5.470 -8.400 -2.868) 10.426 4.463 ( 1.423 -3.494 -6.616) 7.616 4.558 ( 3.706 -2.892 -6.993) 8.426 4.609 ( 9.492 -3.934 2.758) 10.639 4.772 ( 6.706 -0.306 -0.310) 6.720 4.957 ( 0.689 -5.106 3.713) 6.351 4.989 ( 11.230 -2.044 21.356) 24.215 5.045 ( 7.450 -0.764 0.334) 7.497 5.209 ( 3.620 1.121 2.712) 4.660 5.317 ( 8.311 1.082 8.341) 11.824 5.485 ( -0.053 5.371 -3.816) 6.589 5.571 ( -0.865 -1.723 -1.780) 2.624 5.752 ( 3.722 6.539 9.487) 12.108 5.923 ( -3.923 1.741 -1.983) 4.728 6.115 ( -3.338 0.509 1.396) 3.653 6.354 ( -1.170 3.077 0.670) 3.360 6.570 ( 2.790 4.584 3.703) 6.520 6.795 ( -3.863 -2.339 -5.843) 7.384 7.048 ( -1.339 0.768 -2.323) 2.789 7.299 ( -6.316 4.408 -7.860) 11.005 7.628 ( 1.612 1.341 -1.292) 2.463 7.953 ( -0.532 0.259 0.004) 0.592 8.058 ( 0.421 2.839 0.246) 2.880 8.230 ( -2.756 0.828 -2.587) 3.870 8.244 ( 3.670 -0.190 1.054) 3.823 8.356 ( -2.614 2.981 0.591) 4.008 8.622 ( 1.172 -0.168 0.444) 1.265 8.713 ( 0.636 0.512 -0.018) 0.817 8.740 ( -0.525 -0.056 1.177) 1.290 8.782 ( -1.261 -0.728 -0.015) 1.456 8.794 ( -0.766 -0.992 -0.396) 1.314 9.029 ( -3.017 1.062 0.195) 3.204 9.089 ( -1.043 1.958 -0.228) 2.230 9.206 ( 0.133 -0.321 -0.198) 0.400 9.247 ( 0.468 -0.149 0.475) 0.683 9.364 ( -1.672 2.168 -0.421) 2.770 9.423 ( -0.001 0.598 0.834) 1.026 9.657 ( -0.755 0.772 -0.391) 1.148 9.889 ( -1.772 3.105 0.657) 3.635 9.919 ( -1.957 2.136 -0.487) 2.938 10.125 ( 0.803 0.124 0.199) 0.836 10.198 ( -3.127 3.196 0.099) 4.473 10.228 ( -4.239 4.900 0.035) 6.479 10.724 ( -7.947 8.603 -0.109) 11.712 10.794 ( -7.777 10.442 0.193) 13.021 11.261 ( -2.506 4.839 0.043) 5.449 11.867 ( -3.642 2.411 0.452) 4.391 11.966 ( -3.884 1.737 0.751) 4.320 12.192 ( -1.152 3.543 -0.898) 3.833 12.216 ( -0.706 5.008 0.565) 5.089 12.271 ( -2.219 5.665 0.455) 6.101 12.366 ( -1.659 4.924 -0.029) 5.196 12.394 ( -2.494 2.830 -1.415) 4.029 12.430 ( -2.034 3.538 0.555) 4.118 12.496 ( -4.695 2.063 1.143) 5.254 12.504 ( -0.798 3.416 0.174) 3.512 12.599 ( -1.735 3.214 0.269) 3.662 12.659 ( -1.796 -0.745 0.001) 1.944 12.772 ( -5.428 -0.400 -0.805) 5.502 12.792 ( -2.435 -2.172 0.370) 3.284 12.935 ( -0.495 1.127 -0.004) 1.231 13.069 ( 0.066 1.927 0.694) 2.050 13.089 ( 0.277 0.799 -0.266) 0.886 13.143 ( -0.360 0.145 0.044) 0.391 13.219 ( -0.152 2.019 -0.689) 2.139 13.282 ( -0.240 1.850 -0.428) 1.914 13.406 ( -2.385 -0.352 1.528) 2.854 13.506 ( 0.056 -0.741 -0.387) 0.838 13.530 ( -0.190 2.359 -0.970) 2.557 13.610 ( 0.177 -1.591 -0.259) 1.622 13.673 ( -4.524 -2.777 -0.374) 5.322 13.928 ( -0.000 -3.385 -0.364) 3.404 14.059 ( -0.246 -1.834 0.551) 1.931 14.199 ( 2.332 0.170 1.403) 2.727 14.253 ( 2.023 2.870 2.966) 4.596 14.312 ( 0.727 0.616 -4.730) 4.825 14.415 ( -2.753 1.291 -5.746) 6.501 14.488 ( -1.498 0.131 -0.365) 1.547 14.513 ( -0.986 0.916 -0.152) 1.354 14.748 ( 6.042 1.597 3.409) 7.118 14.899 ( 2.584 2.889 2.655) 4.699 ======================= Grid point 81 (33/78) ======================= q-point: ( 0.50 0.12 0.25) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( 6.513 -10.918 1.713) 12.828 2.292 ( 6.688 -4.464 -7.494) 10.992 2.402 ( -0.637 5.394 -3.121) 6.264 2.502 ( 7.190 -7.720 0.873) 10.585 2.584 ( 3.036 1.445 -0.919) 3.485 2.696 ( 4.913 -0.738 -7.024) 8.603 2.838 ( 1.306 5.798 3.521) 6.909 3.013 ( 6.368 3.106 -3.409) 7.862 3.119 ( 8.897 4.104 0.417) 9.807 3.188 ( 5.239 2.624 2.636) 6.425 3.277 ( 2.249 -3.964 5.025) 6.784 3.280 ( -2.688 4.991 -3.099) 6.461 3.424 ( 1.133 -1.045 -1.027) 1.852 3.539 ( 3.173 -3.967 2.830) 5.816 3.677 ( -1.830 -0.914 0.577) 2.125 3.745 ( -1.923 -5.479 -1.763) 6.069 3.843 ( -0.759 -3.411 2.637) 4.378 3.893 ( 6.592 -8.822 4.883) 12.047 3.967 ( -0.231 -9.242 -2.767) 9.650 4.069 ( -1.773 -13.883 -4.075) 14.577 4.102 ( -0.223 -8.918 0.175) 8.922 4.163 ( -1.302 -3.389 0.330) 3.646 4.256 ( 3.756 -8.072 -2.903) 9.364 4.298 ( 2.258 -4.381 -1.319) 5.102 4.333 ( 1.282 -4.177 -2.494) 5.031 4.357 ( 2.720 -7.123 -2.679) 8.082 4.421 ( 0.182 -7.101 -2.282) 7.461 4.445 ( 3.488 -5.767 -0.567) 6.764 4.592 ( 0.309 -6.074 0.426) 6.097 4.750 ( 6.674 -4.097 -1.646) 8.002 4.782 ( 8.819 -2.650 -0.853) 9.248 4.834 ( 1.804 -4.247 -3.124) 5.573 5.028 ( 0.803 0.385 1.103) 1.418 5.040 ( 2.826 6.467 5.741) 9.098 5.090 ( -1.193 2.506 -0.530) 2.826 5.314 ( 3.827 5.618 2.431) 7.219 5.328 ( 8.748 1.252 16.879) 19.052 5.437 ( 3.192 -3.206 0.445) 4.546 5.601 ( -0.395 -2.570 0.637) 2.677 5.751 ( 1.895 0.890 4.398) 4.871 5.852 ( -1.644 1.971 1.198) 2.832 6.131 ( 2.256 -3.651 6.159) 7.507 6.256 ( -2.726 6.302 0.880) 6.922 6.521 ( 3.054 5.179 2.920) 6.684 6.747 ( -8.244 -1.060 -13.300) 15.683 6.929 ( -4.873 5.340 -6.692) 9.851 7.214 ( -0.742 -0.893 -1.255) 1.710 7.608 ( 1.163 1.979 -1.469) 2.726 7.948 ( -0.155 0.013 0.259) 0.302 8.020 ( 1.044 2.352 0.409) 2.605 8.168 ( -2.118 1.321 -2.211) 3.335 8.270 ( -3.513 3.233 1.318) 4.953 8.299 ( 3.247 -1.063 -0.434) 3.444 8.642 ( 0.864 -0.765 -0.535) 1.272 8.723 ( 1.008 0.139 3.589) 3.731 8.744 ( -1.215 -1.060 -0.210) 1.626 8.786 ( -0.831 -0.750 -0.058) 1.121 8.804 ( -0.383 -1.309 -1.322) 1.899 8.986 ( -1.724 0.524 0.657) 1.918 9.043 ( -0.364 1.920 -0.165) 1.961 9.218 ( 0.796 -0.530 0.448) 1.056 9.262 ( -0.024 -1.266 -0.624) 1.411 9.313 ( -0.963 1.877 -0.165) 2.116 9.417 ( 0.082 0.356 0.393) 0.537 9.640 ( -0.577 0.138 -0.117) 0.605 9.828 ( -1.009 1.830 0.098) 2.092 9.882 ( -0.604 0.682 0.081) 0.914 10.050 ( -3.775 3.953 0.221) 5.471 10.131 ( 0.147 -0.076 0.053) 0.173 10.198 ( -0.067 0.531 -0.050) 0.537 10.534 ( -3.919 5.434 0.070) 6.700 10.591 ( -3.927 4.608 0.092) 6.055 11.176 ( -1.205 2.436 0.175) 2.724 11.789 ( -1.835 1.859 0.084) 2.613 11.941 ( -1.945 -1.039 1.169) 2.496 12.127 ( 0.216 3.832 -1.062) 3.982 12.137 ( 0.053 2.207 0.383) 2.241 12.176 ( -1.213 2.581 0.430) 2.884 12.283 ( -1.809 5.178 -0.179) 5.488 12.291 ( -0.867 1.842 -0.714) 2.158 12.364 ( -1.035 2.188 -0.067) 2.421 12.428 ( -2.169 0.213 0.663) 2.277 12.483 ( -1.276 -0.476 -0.005) 1.362 12.553 ( -0.768 1.196 0.444) 1.489 12.674 ( 0.383 -1.282 0.501) 1.428 12.743 ( -3.725 -1.862 -0.094) 4.165 12.819 ( -0.788 -2.382 0.113) 2.512 12.907 ( -0.584 1.336 -0.335) 1.496 13.051 ( 1.096 0.978 0.627) 1.597 13.075 ( 0.347 0.832 -1.034) 1.372 13.132 ( -0.599 0.551 -0.246) 0.850 13.183 ( -0.749 1.132 0.366) 1.406 13.258 ( 0.065 0.653 -0.315) 0.728 13.399 ( -1.271 -0.781 0.703) 1.649 13.471 ( 0.001 2.560 -0.439) 2.597 13.533 ( -0.391 -1.414 -0.318) 1.501 13.626 ( -0.045 -0.299 -0.547) 0.625 13.680 ( -3.197 -2.715 -0.128) 4.196 13.984 ( 0.542 -2.269 -0.131) 2.336 14.089 ( 0.651 -1.138 0.262) 1.337 14.211 ( 2.220 1.832 1.674) 3.330 14.236 ( 1.938 1.644 1.452) 2.927 14.289 ( -0.100 0.861 -3.041) 3.162 14.358 ( -2.039 0.479 -3.249) 3.865 14.470 ( -1.529 -0.013 -0.456) 1.596 14.493 ( -0.900 0.193 -0.101) 0.926 14.767 ( 2.623 2.342 1.912) 4.003 14.881 ( 1.713 2.112 1.637) 3.174 ======================= Grid point 82 (34/78) ======================= q-point: (-0.38 0.12 0.25) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( -5.028 19.356 1.938) 20.092 2.259 ( 5.654 11.313 -3.060) 13.012 2.375 ( 3.120 -1.064 -0.124) 3.299 2.540 ( 5.386 -3.240 -5.465) 8.329 2.665 ( 3.267 6.570 -1.861) 7.569 2.766 ( -3.530 -1.139 -4.809) 6.073 2.798 ( 3.308 -2.539 9.388) 10.273 2.983 ( 2.749 7.668 2.262) 8.454 3.039 ( 5.965 4.340 -3.059) 7.986 3.166 ( -2.970 2.380 -5.656) 6.818 3.205 ( 5.110 4.155 3.947) 7.678 3.342 ( 3.519 1.391 2.106) 4.330 3.403 ( -2.731 0.361 -2.125) 3.479 3.529 ( -5.462 5.135 -0.967) 7.559 3.669 ( -0.806 1.079 4.063) 4.280 3.772 ( -1.460 -0.819 3.498) 3.878 3.866 ( 4.057 1.285 -0.544) 4.290 3.999 ( -0.376 3.116 9.121) 9.646 4.032 ( -2.447 -0.804 1.576) 3.020 4.103 ( 0.163 10.952 1.508) 11.056 4.172 ( -3.893 -1.919 -3.141) 5.357 4.211 ( -1.032 1.724 -3.906) 4.393 4.279 ( -0.488 9.149 -2.395) 9.469 4.313 ( -0.271 2.975 -3.196) 4.375 4.344 ( -0.624 -4.024 -1.333) 4.284 4.423 ( 1.835 3.897 0.150) 4.310 4.451 ( -3.788 2.691 0.239) 4.652 4.493 ( -6.170 4.675 -0.291) 7.746 4.652 ( 1.418 3.194 0.474) 3.526 4.704 ( 0.707 2.323 -0.757) 2.544 4.747 ( -2.138 10.331 -1.028) 10.600 4.838 ( 1.300 4.577 -0.931) 4.849 4.993 ( -1.727 0.672 0.100) 1.855 5.027 ( 0.942 -0.847 1.789) 2.192 5.070 ( -1.708 3.863 0.045) 4.224 5.217 ( 2.416 1.136 -1.283) 2.962 5.452 ( 0.104 -4.213 -0.323) 4.227 5.522 ( 1.425 1.138 5.463) 5.760 5.618 ( -2.025 -0.861 -6.873) 7.216 5.758 ( 0.905 -0.143 0.113) 0.924 5.888 ( 0.834 -5.420 3.450) 6.479 6.100 ( -4.417 5.939 -1.958) 7.656 6.279 ( 2.158 -4.515 5.112) 7.154 6.507 ( 2.668 3.915 4.530) 6.555 6.605 ( -1.731 -1.243 -6.425) 6.770 6.866 ( -0.174 -1.118 0.326) 1.178 7.224 ( -0.220 0.549 0.178) 0.618 7.589 ( 1.042 0.451 -1.198) 1.651 7.952 ( 0.024 -0.507 -0.019) 0.508 8.007 ( 1.479 0.633 0.395) 1.656 8.149 ( -1.791 -1.466 -1.345) 2.677 8.196 ( -2.088 1.134 1.420) 2.768 8.341 ( 1.864 -0.752 -0.529) 2.079 8.657 ( 0.244 -0.673 -1.785) 1.923 8.737 ( -2.033 -0.090 -1.435) 2.490 8.748 ( 1.084 -0.310 4.174) 4.324 8.782 ( -0.651 -0.009 -0.892) 1.105 8.821 ( 0.406 -0.526 -0.357) 0.754 8.999 ( 0.126 -2.705 -0.006) 2.708 9.033 ( 0.607 -0.816 -0.001) 1.017 9.235 ( 0.448 -0.106 -0.732) 0.865 9.272 ( -0.117 1.438 1.046) 1.782 9.292 ( 0.246 -1.562 -0.185) 1.592 9.415 ( 0.059 -0.048 0.025) 0.081 9.642 ( -0.048 -0.527 0.006) 0.529 9.816 ( -0.009 -1.072 0.140) 1.081 9.881 ( -0.022 -0.799 0.018) 0.799 10.036 ( 0.204 -4.477 -0.084) 4.482 10.133 ( 0.034 -0.283 -0.149) 0.322 10.193 ( 0.017 -0.009 0.080) 0.082 10.508 ( 0.400 -5.167 0.076) 5.183 10.571 ( 0.123 -4.286 0.023) 4.288 11.161 ( -0.040 -1.451 0.066) 1.453 11.793 ( 0.743 -3.027 -0.058) 3.118 11.959 ( -0.930 -2.229 0.179) 2.422 12.096 ( 0.897 -0.301 -0.915) 1.316 12.125 ( 0.581 0.298 0.601) 0.887 12.157 ( 0.003 -0.943 0.455) 1.047 12.240 ( 0.140 -2.099 0.251) 2.118 12.291 ( 0.654 -2.149 -0.863) 2.406 12.340 ( -0.568 -0.617 0.344) 0.906 12.427 ( -0.640 -1.078 -0.054) 1.255 12.500 ( -0.565 -2.766 -0.210) 2.831 12.543 ( -0.114 -0.582 0.087) 0.599 12.705 ( 1.387 -0.941 0.124) 1.680 12.759 ( -1.663 -2.937 -0.062) 3.376 12.852 ( 0.198 -1.283 0.477) 1.383 12.880 ( -0.818 0.422 -0.340) 0.981 13.057 ( 1.416 0.338 0.355) 1.498 13.069 ( 0.845 -0.121 -1.246) 1.511 13.113 ( -0.991 0.433 0.036) 1.082 13.174 ( -0.564 -0.636 1.023) 1.330 13.257 ( 0.318 -0.297 -0.276) 0.516 13.416 ( 0.270 -1.285 0.570) 1.431 13.440 ( -0.332 0.290 -0.233) 0.498 13.550 ( -0.266 -0.723 0.118) 0.779 13.620 ( 0.011 0.728 -0.198) 0.754 13.704 ( -1.473 -2.640 -0.075) 3.024 13.997 ( -0.537 0.681 -0.492) 0.997 14.110 ( 1.464 -0.024 0.148) 1.471 14.203 ( 1.349 2.220 2.755) 3.786 14.239 ( 1.032 -0.710 -1.727) 2.133 14.276 ( 0.465 -0.074 -2.330) 2.377 14.338 ( 0.415 0.717 1.622) 1.822 14.458 ( -1.496 -0.542 -0.052) 1.592 14.489 ( -0.666 -0.752 -0.082) 1.007 14.734 ( -0.789 2.553 0.156) 2.677 14.872 ( 0.357 0.578 -0.138) 0.693 ======================= Grid point 83 (35/78) ======================= q-point: (-0.25 0.12 0.25) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( 0.347 23.112 15.143) 27.633 1.916 ( 3.359 28.942 2.987) 29.289 2.347 ( -2.342 9.349 -3.505) 10.255 2.483 ( -1.714 5.743 -9.124) 10.916 2.640 ( -2.382 7.812 -3.325) 8.818 2.689 ( 8.241 3.848 3.415) 9.715 2.820 ( -0.106 -0.437 3.910) 3.936 2.872 ( -3.180 5.751 -3.559) 7.473 3.017 ( -6.398 9.226 -4.473) 12.086 3.068 ( 8.360 8.865 4.592) 13.022 3.178 ( -4.183 2.865 0.567) 5.102 3.314 ( -1.673 6.301 1.589) 6.710 3.378 ( 1.347 1.602 2.415) 3.196 3.407 ( -3.490 -2.873 0.468) 4.545 3.560 ( -0.567 15.419 1.982) 15.556 3.710 ( -0.272 10.681 0.927) 10.725 3.738 ( -1.243 11.757 5.142) 12.892 3.827 ( -4.995 14.456 -3.331) 15.653 3.869 ( -1.292 10.658 3.966) 11.445 3.984 ( -0.052 11.173 6.916) 13.141 4.019 ( -2.781 8.240 1.480) 8.822 4.035 ( -1.983 13.664 -1.382) 13.877 4.084 ( 0.519 6.685 -2.015) 7.001 4.227 ( -1.046 8.816 -1.485) 9.001 4.251 ( 0.209 12.096 1.823) 12.234 4.276 ( -1.523 7.981 -2.241) 8.428 4.351 ( -1.952 8.702 0.160) 8.920 4.389 ( 1.654 14.283 0.387) 14.383 4.470 ( 1.162 2.464 -0.467) 2.763 4.534 ( -0.512 6.589 -4.085) 7.769 4.614 ( -0.710 14.951 -1.115) 15.009 4.706 ( -2.824 8.328 0.835) 8.833 4.899 ( -3.557 3.045 1.023) 4.793 5.005 ( -0.709 0.369 -0.698) 1.061 5.117 ( -0.547 -6.106 0.722) 6.173 5.250 ( -2.074 -1.893 -6.173) 6.782 5.410 ( -10.677 -0.794 -20.631) 23.244 5.466 ( 0.139 5.176 2.922) 5.945 5.611 ( 0.427 -2.529 -5.742) 6.288 5.801 ( 0.592 -2.404 0.789) 2.599 5.921 ( -3.928 -2.035 -8.965) 9.997 6.066 ( 1.579 -1.963 8.902) 9.252 6.336 ( 0.885 -1.127 1.734) 2.250 6.483 ( -3.034 -3.986 -2.469) 5.585 6.689 ( 5.643 2.396 12.603) 14.015 6.965 ( 4.477 -5.819 5.889) 9.412 7.195 ( 0.403 1.720 2.458) 3.027 7.602 ( 0.691 -0.899 -1.126) 1.598 7.964 ( 0.170 -0.846 -0.354) 0.933 8.028 ( 1.289 -0.996 0.556) 1.721 8.129 ( -3.061 -0.683 0.229) 3.144 8.244 ( 2.316 -4.121 0.711) 4.780 8.359 ( 0.021 -0.560 -0.133) 0.576 8.660 ( -0.161 -0.489 -2.984) 3.028 8.702 ( -1.761 0.956 -1.794) 2.690 8.768 ( 0.018 -0.095 -0.172) 0.197 8.787 ( 0.659 -0.760 1.476) 1.786 8.824 ( 0.400 0.594 0.577) 0.920 9.064 ( 0.680 -3.565 -0.362) 3.647 9.070 ( 0.382 -2.324 -0.068) 2.356 9.215 ( -0.004 1.726 0.156) 1.733 9.260 ( -0.176 0.221 -0.382) 0.475 9.337 ( 0.772 -2.384 0.910) 2.666 9.421 ( -0.078 -0.625 -0.199) 0.661 9.653 ( 0.068 -0.733 -0.050) 0.738 9.863 ( 0.299 -3.930 0.021) 3.941 9.911 ( 0.451 -2.367 0.152) 2.414 10.109 ( -0.295 -0.683 -0.433) 0.861 10.199 ( 0.159 -0.780 0.079) 0.800 10.211 ( 1.398 -9.600 -0.535) 9.716 10.699 ( 2.519 -13.435 -0.016) 13.669 10.724 ( 1.054 -11.689 -0.025) 11.737 11.221 ( 0.443 -4.900 -0.055) 4.921 11.900 ( 2.040 -7.100 -0.188) 7.390 11.989 ( -1.446 -2.499 -1.859) 3.434 12.123 ( 1.247 -1.800 1.444) 2.623 12.177 ( 0.589 -4.377 0.356) 4.430 12.207 ( 0.012 -5.060 -0.243) 5.066 12.318 ( 0.732 -3.633 1.327) 3.936 12.370 ( 1.005 -5.905 -1.579) 6.195 12.395 ( 0.783 -6.143 0.352) 6.202 12.448 ( -0.551 -2.665 -0.204) 2.729 12.562 ( -0.010 -4.462 -0.565) 4.497 12.570 ( 0.524 -2.151 -0.696) 2.321 12.725 ( 0.843 0.257 -0.392) 0.965 12.805 ( 0.113 -3.134 -0.287) 3.149 12.854 ( -0.081 -0.177 0.506) 0.542 12.898 ( 0.056 -1.862 0.559) 1.945 13.065 ( 0.571 0.035 0.733) 0.930 13.084 ( 0.468 -1.018 -1.349) 1.754 13.109 ( -0.171 -0.718 0.445) 0.862 13.197 ( 0.256 -1.610 1.057) 1.943 13.271 ( 0.173 -1.235 -0.848) 1.508 13.431 ( 0.064 -0.435 2.196) 2.239 13.472 ( 0.369 -3.130 -0.659) 3.220 13.547 ( -0.169 0.833 -0.922) 1.254 13.605 ( 0.252 1.168 1.135) 1.648 13.737 ( -0.105 -1.898 -0.125) 1.905 13.965 ( -0.611 1.681 -0.489) 1.854 14.118 ( 1.776 1.032 -0.072) 2.056 14.184 ( -0.849 0.975 2.077) 2.446 14.256 ( -0.349 -0.988 -2.552) 2.759 14.274 ( 1.932 1.275 -0.827) 2.459 14.357 ( 3.068 0.133 5.279) 6.107 14.463 ( -1.368 -1.650 0.049) 2.144 14.501 ( -0.358 -1.034 -0.083) 1.097 14.675 ( -2.479 1.707 -1.724) 3.468 14.866 ( -1.228 -0.829 -1.859) 2.377 ======================= Grid point 84 (36/78) ======================= q-point: (-0.12 0.12 0.25) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( 11.592 26.757 20.451) 35.617 1.435 ( 4.833 24.886 23.252) 34.399 2.006 ( -6.274 16.952 -14.895) 23.422 2.296 ( 0.667 28.103 4.820) 28.521 2.336 ( -3.299 27.592 -4.722) 28.187 2.519 ( 5.515 9.591 6.370) 12.766 2.687 ( -1.509 8.432 -1.885) 8.771 2.782 ( -0.887 7.073 -1.655) 7.318 2.817 ( 1.683 8.507 7.299) 11.335 2.946 ( 3.312 11.897 7.540) 14.469 3.070 ( -2.952 1.981 -5.307) 6.387 3.149 ( -3.796 13.550 -2.620) 14.313 3.218 ( -1.126 9.030 -13.324) 16.135 3.369 ( 0.540 17.083 -4.267) 17.616 3.383 ( -1.432 9.148 -0.926) 9.305 3.434 ( 0.678 4.516 1.656) 4.857 3.577 ( 0.309 7.872 4.807) 9.229 3.621 ( 3.455 13.392 2.757) 14.103 3.689 ( -0.499 6.088 1.455) 6.280 3.748 ( 0.650 12.031 0.804) 12.075 3.777 ( -2.639 17.613 1.740) 17.894 3.879 ( 0.530 7.217 1.451) 7.381 3.936 ( 5.211 10.327 0.681) 11.588 3.966 ( 0.699 13.506 -2.986) 13.850 4.056 ( 2.501 11.856 2.384) 12.350 4.095 ( -2.567 6.736 -1.007) 7.278 4.210 ( 1.362 7.026 3.321) 7.890 4.266 ( -0.014 6.941 3.379) 7.720 4.305 ( -0.532 12.310 0.891) 12.354 4.421 ( 3.426 3.647 2.637) 5.657 4.535 ( 0.618 2.990 4.323) 5.293 4.584 ( 1.979 -2.114 -8.111) 8.613 4.879 ( -0.608 -1.129 3.881) 4.087 4.970 ( 0.261 3.123 0.893) 3.259 5.090 ( -13.991 0.732 -27.662) 31.007 5.190 ( -0.926 -0.912 -1.900) 2.302 5.288 ( -5.624 0.769 -9.876) 11.391 5.438 ( 2.257 -0.336 2.283) 3.228 5.628 ( -0.578 -1.775 -7.871) 8.089 5.821 ( -4.475 -4.743 -9.357) 11.405 5.958 ( 1.215 -2.855 4.319) 5.318 6.130 ( 1.418 -0.619 5.476) 5.691 6.376 ( 0.973 -1.008 4.048) 4.284 6.533 ( -1.887 -4.537 -0.744) 4.970 6.714 ( 2.662 2.345 9.425) 10.070 7.049 ( 1.083 1.089 0.674) 1.677 7.271 ( 4.752 -3.771 13.201) 14.528 7.618 ( 0.288 -0.773 -1.560) 1.764 7.978 ( 0.067 -0.607 -0.654) 0.895 8.060 ( 0.304 -1.393 1.317) 1.941 8.131 ( -0.448 -1.266 -0.008) 1.343 8.325 ( 1.392 -1.414 -1.966) 2.793 8.382 ( -0.209 -3.131 2.192) 3.827 8.647 ( -1.494 -0.497 -5.035) 5.276 8.674 ( 0.398 1.018 0.978) 1.467 8.768 ( -0.383 -0.495 -1.108) 1.272 8.805 ( 0.328 -0.011 1.053) 1.103 8.818 ( -0.083 0.157 -0.090) 0.199 9.107 ( -0.308 -1.708 -0.093) 1.738 9.117 ( 0.305 -1.776 -0.198) 1.812 9.198 ( 0.522 0.434 1.084) 1.279 9.250 ( -0.740 0.123 -1.210) 1.423 9.387 ( 0.405 -2.051 1.255) 2.438 9.430 ( -0.315 -0.710 -0.523) 0.936 9.667 ( 0.093 -0.829 -0.025) 0.835 9.936 ( -0.437 -3.670 -0.773) 3.776 9.974 ( 0.356 -4.248 0.928) 4.363 10.105 ( -0.091 0.233 -0.439) 0.506 10.215 ( 0.048 -1.015 0.153) 1.028 10.398 ( -0.341 -9.951 -1.522) 10.072 10.943 ( 0.008 -12.136 0.114) 12.136 10.971 ( -0.041 -14.313 -0.224) 14.315 11.326 ( 0.018 -6.419 0.112) 6.420 11.994 ( -0.924 -1.051 -2.835) 3.162 12.056 ( -0.186 -8.127 -0.091) 8.130 12.192 ( 1.183 -3.367 2.813) 4.544 12.252 ( -0.399 -4.812 -0.579) 4.863 12.325 ( -0.816 -6.559 -0.521) 6.630 12.378 ( 0.785 -3.330 2.147) 4.039 12.471 ( 0.521 -4.747 -0.674) 4.823 12.480 ( -0.310 -3.754 0.288) 3.778 12.559 ( -0.766 -6.628 -3.330) 7.457 12.616 ( -0.721 -3.736 -1.289) 4.018 12.653 ( 0.158 -6.710 0.393) 6.723 12.715 ( 0.079 0.288 0.136) 0.328 12.843 ( 0.493 -0.716 -0.030) 0.870 12.894 ( -0.260 -3.524 1.201) 3.732 12.932 ( 0.302 -1.897 0.416) 1.965 13.075 ( -0.271 -0.755 1.074) 1.341 13.102 ( -0.204 -1.071 -0.611) 1.250 13.128 ( 0.268 -1.045 0.306) 1.121 13.229 ( 0.451 -1.073 0.199) 1.181 13.300 ( -0.044 -2.392 -1.308) 2.727 13.450 ( -0.541 -0.682 3.339) 3.450 13.514 ( -0.260 1.575 -1.719) 2.346 13.532 ( 0.486 -3.061 -0.810) 3.204 13.587 ( 0.287 1.793 1.341) 2.258 13.757 ( 0.184 -0.156 -0.090) 0.257 13.933 ( -0.005 1.713 0.462) 1.774 14.105 ( 0.202 1.844 0.022) 1.855 14.159 ( -1.152 1.068 0.071) 1.572 14.247 ( -1.744 -0.565 -2.222) 2.880 14.284 ( 5.067 1.828 3.150) 6.240 14.418 ( 3.591 -1.001 5.298) 6.478 14.479 ( -1.906 -1.831 -1.552) 3.065 14.514 ( 0.052 -0.989 -0.026) 0.991 14.628 ( -1.842 0.310 -2.469) 3.096 14.867 ( -1.805 -1.893 -2.669) 3.737 ======================= Grid point 87 (37/78) ======================= q-point: ( 0.25 0.25 0.25) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( 20.353 0.000 14.142) 24.784 1.567 ( 10.557 0.000 16.591) 19.665 1.921 ( 20.247 0.000 -18.433) 27.380 1.942 ( 17.043 0.000 -11.456) 20.535 2.408 ( 2.298 0.000 -0.153) 2.303 2.613 ( 10.078 0.000 6.208) 11.837 2.665 ( 1.972 0.000 -9.217) 9.425 2.793 ( 5.553 0.000 4.062) 6.881 2.929 ( 3.827 0.000 -2.351) 4.491 2.977 ( 2.672 0.000 -2.110) 3.405 3.037 ( 19.765 0.000 -11.985) 23.115 3.129 ( 2.572 0.000 4.066) 4.811 3.154 ( 15.627 0.000 2.755) 15.868 3.200 ( 7.991 0.000 7.345) 10.854 3.211 ( 4.735 0.000 1.020) 4.844 3.310 ( 5.081 0.000 -3.442) 6.137 3.352 ( 12.613 0.000 5.242) 13.659 3.484 ( -1.364 -0.000 -2.761) 3.080 3.591 ( 11.776 0.000 -2.251) 11.989 3.676 ( 7.186 0.000 -1.461) 7.333 3.677 ( 5.439 0.000 -5.996) 8.095 3.867 ( 9.263 0.000 -3.159) 9.787 4.000 ( 6.685 0.000 -1.659) 6.888 4.000 ( -0.693 -0.000 -0.676) 0.968 4.093 ( 7.838 0.000 -4.915) 9.251 4.175 ( 5.268 0.000 -2.335) 5.762 4.211 ( 5.477 0.000 -1.952) 5.814 4.335 ( 8.314 0.000 5.450) 9.941 4.400 ( 6.910 0.000 -0.831) 6.960 4.413 ( 6.356 0.000 2.609) 6.871 4.647 ( -0.140 -0.000 -10.375) 10.376 4.755 ( 7.505 0.000 -2.366) 7.869 4.826 ( -0.033 -0.000 5.595) 5.596 4.932 ( 9.764 0.000 20.276) 22.505 5.077 ( 8.528 0.000 2.447) 8.872 5.178 ( 4.681 0.000 2.467) 5.292 5.348 ( 9.860 0.000 11.497) 15.146 5.543 ( -2.185 -0.000 -2.539) 3.350 5.592 ( 3.347 0.000 -6.252) 7.092 5.904 ( 4.041 0.000 6.756) 7.872 5.942 ( -5.694 -0.000 -2.115) 6.074 6.128 ( -3.681 -0.000 1.433) 3.950 6.397 ( 0.289 0.000 -0.499) 0.577 6.682 ( 3.813 0.000 6.912) 7.894 6.734 ( -3.895 -0.000 -5.668) 6.878 7.049 ( 0.010 0.000 -0.958) 0.958 7.384 ( -7.872 -0.000 -9.421) 12.277 7.655 ( 2.501 0.000 -0.322) 2.522 7.957 ( -0.658 -0.000 -0.298) 0.722 8.122 ( -0.421 -0.000 -1.503) 1.561 8.197 ( 2.372 0.000 0.098) 2.374 8.283 ( -0.295 -0.000 1.223) 1.258 8.413 ( -2.137 -0.000 0.444) 2.183 8.620 ( 0.433 0.000 -0.083) 0.441 8.732 ( -0.418 -0.000 -2.709) 2.741 8.745 ( -1.934 -0.000 0.670) 2.046 8.768 ( 0.790 0.000 2.045) 2.192 8.779 ( -0.918 -0.000 -0.174) 0.934 9.041 ( -3.256 -0.000 -0.099) 3.258 9.119 ( -1.217 -0.000 -0.183) 1.231 9.202 ( 0.347 0.000 -0.378) 0.513 9.256 ( 0.532 0.000 0.804) 0.964 9.406 ( -2.058 -0.000 -0.565) 2.135 9.439 ( 0.124 0.000 1.179) 1.186 9.675 ( -0.908 -0.000 -0.607) 1.092 9.944 ( -1.506 -0.000 1.220) 1.938 9.980 ( -4.289 -0.000 -1.212) 4.457 10.128 ( 0.907 0.000 0.147) 0.919 10.227 ( -0.517 -0.000 0.040) 0.519 10.370 ( -8.827 -0.000 0.253) 8.831 10.903 ( -11.413 -0.000 -0.359) 11.418 11.017 ( -10.227 -0.000 0.344) 10.233 11.376 ( -3.612 -0.000 -0.194) 3.617 11.871 ( -4.119 -0.000 0.792) 4.195 12.043 ( -6.775 -0.000 0.204) 6.778 12.304 ( 0.291 0.000 -0.048) 0.295 12.324 ( -1.787 -0.000 1.166) 2.134 12.351 ( -1.675 -0.000 -0.581) 1.773 12.449 ( -5.300 -0.000 -1.140) 5.422 12.469 ( -4.266 -0.000 0.801) 4.341 12.511 ( -1.916 -0.000 0.535) 1.990 12.526 ( -2.578 -0.000 1.170) 2.831 12.550 ( -2.321 -0.000 -0.433) 2.361 12.646 ( -1.933 -0.000 -0.410) 1.976 12.735 ( -3.415 -0.000 -0.002) 3.415 12.760 ( -8.986 -0.000 -0.667) 9.011 12.760 ( -6.234 -0.000 -0.308) 6.242 12.955 ( -0.710 -0.000 0.285) 0.765 13.103 ( 0.425 0.000 1.625) 1.679 13.120 ( -0.862 -0.000 0.250) 0.898 13.149 ( -0.884 -0.000 -0.360) 0.955 13.259 ( 1.283 0.000 -0.767) 1.495 13.335 ( -0.635 -0.000 -1.004) 1.188 13.409 ( -2.718 -0.000 1.374) 3.045 13.469 ( 0.556 0.000 -0.186) 0.587 13.553 ( -0.491 -0.000 -0.517) 0.713 13.595 ( -4.893 -0.000 -0.363) 4.906 13.601 ( -0.322 -0.000 -0.451) 0.554 13.845 ( -1.135 -0.000 -1.030) 1.533 14.013 ( -0.334 -0.000 1.185) 1.232 14.203 ( 3.285 0.000 1.570) 3.641 14.318 ( 3.325 0.000 3.623) 4.918 14.322 ( 1.887 0.000 -5.271) 5.599 14.451 ( -2.169 -0.000 -6.094) 6.469 14.487 ( -1.959 -0.000 -0.058) 1.959 14.538 ( -1.505 -0.000 -0.136) 1.511 14.784 ( 7.277 0.000 3.283) 7.984 14.964 ( 2.906 0.000 2.354) 3.740 ======================= Grid point 88 (38/78) ======================= q-point: ( 0.38 0.25 0.25) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( 7.833 -5.198 13.492) 16.444 1.982 ( 14.092 -21.267 9.546) 27.240 2.103 ( 10.775 -7.238 -10.785) 16.876 2.184 ( 20.100 -10.697 -13.887) 26.670 2.466 ( 3.878 -2.969 3.573) 6.052 2.674 ( 0.923 -2.059 -6.089) 6.494 2.880 ( 6.567 -15.173 3.240) 16.848 2.917 ( 2.343 -2.328 -4.793) 5.821 2.979 ( 2.491 -4.665 1.979) 5.647 3.052 ( 4.503 -4.885 -5.077) 8.362 3.121 ( 2.573 -5.342 -1.025) 6.017 3.278 ( 7.796 -3.645 3.340) 9.231 3.302 ( 3.006 -10.934 1.965) 11.509 3.350 ( 7.823 -4.982 1.404) 9.381 3.381 ( 2.316 -8.635 0.802) 8.976 3.403 ( 3.103 -8.217 -3.859) 9.594 3.487 ( 4.122 -4.977 -1.771) 6.701 3.605 ( 12.014 -3.983 4.209) 13.339 3.710 ( 10.318 -1.112 -3.675) 11.009 3.753 ( 0.861 -9.423 -2.114) 9.696 3.810 ( 7.442 -2.371 0.140) 7.811 3.915 ( 5.847 -2.214 -0.089) 6.253 3.973 ( 1.222 1.272 -0.272) 1.785 4.096 ( 5.719 -3.032 -9.521) 11.514 4.184 ( 4.377 -5.052 1.373) 6.824 4.280 ( 7.742 0.992 -0.147) 7.807 4.309 ( 10.774 -4.306 -3.063) 12.000 4.348 ( 8.007 3.387 2.788) 9.130 4.463 ( 7.624 0.808 -2.172) 7.969 4.531 ( 1.762 -0.856 -7.455) 7.708 4.649 ( 8.005 -4.659 6.074) 11.076 4.831 ( 3.238 0.112 2.606) 4.158 4.900 ( 4.855 -3.631 1.745) 6.309 5.039 ( 1.535 -1.393 4.789) 5.218 5.171 ( 9.263 0.885 3.258) 9.859 5.298 ( 9.507 -0.891 9.859) 13.725 5.454 ( 7.914 1.664 6.943) 10.658 5.533 ( 0.651 -0.175 3.728) 3.788 5.572 ( 2.529 3.028 -5.838) 7.046 5.869 ( -6.330 0.386 -4.896) 8.012 5.923 ( 2.716 4.608 8.731) 10.240 6.097 ( -1.989 0.166 1.821) 2.702 6.389 ( -0.486 0.972 0.429) 1.168 6.642 ( -5.526 1.428 -6.830) 8.901 6.754 ( 5.089 1.125 7.645) 9.252 7.043 ( -0.467 0.772 -2.505) 2.663 7.231 ( -10.543 1.395 -13.895) 17.497 7.674 ( 2.964 1.188 0.198) 3.199 7.950 ( -0.537 0.026 0.108) 0.548 8.099 ( 0.026 1.437 -1.139) 1.833 8.222 ( 1.089 0.418 -0.356) 1.220 8.282 ( 1.470 0.506 1.813) 2.388 8.376 ( -2.534 1.869 0.604) 3.206 8.626 ( 0.566 -0.174 0.014) 0.592 8.709 ( -1.066 0.148 -1.927) 2.207 8.734 ( -2.040 -0.559 0.312) 2.138 8.771 ( -0.368 -0.021 0.031) 0.370 8.783 ( 0.744 0.278 1.879) 2.040 9.008 ( -3.097 0.180 0.249) 3.112 9.100 ( -1.022 0.716 -0.477) 1.336 9.210 ( 1.274 -0.030 0.021) 1.275 9.255 ( -0.185 0.513 0.121) 0.559 9.372 ( -2.158 1.135 -0.670) 2.529 9.438 ( -0.052 0.608 1.178) 1.327 9.657 ( -1.372 0.491 -0.499) 1.541 9.914 ( -3.115 1.966 0.085) 3.685 9.927 ( -1.468 1.120 -0.009) 1.846 10.132 ( -0.125 0.201 0.128) 0.270 10.212 ( -1.720 1.336 0.381) 2.211 10.249 ( -6.517 3.373 0.051) 7.338 10.751 ( -9.392 4.482 -0.230) 10.409 10.856 ( -9.872 6.313 0.312) 11.722 11.308 ( -2.897 3.490 -0.095) 4.537 11.843 ( -3.732 -0.871 0.942) 3.946 11.953 ( -6.048 2.374 0.229) 6.501 12.247 ( -0.667 3.767 -0.389) 3.845 12.291 ( -1.133 4.071 0.229) 4.232 12.324 ( -1.460 2.239 0.834) 2.800 12.372 ( -4.802 0.427 -1.301) 4.993 12.425 ( -3.994 1.980 -0.003) 4.458 12.463 ( -1.513 2.936 0.437) 3.332 12.470 ( -2.517 1.658 0.184) 3.019 12.557 ( -0.826 0.256 1.435) 1.675 12.612 ( -2.172 0.952 -0.327) 2.394 12.649 ( -4.859 3.667 -0.421) 6.101 12.686 ( -7.316 -1.143 -0.650) 7.434 12.727 ( -2.334 -2.263 -0.169) 3.256 12.943 ( -0.761 0.523 0.181) 0.941 13.100 ( -0.140 1.223 0.752) 1.443 13.106 ( 0.107 0.774 0.284) 0.831 13.138 ( -0.702 0.018 0.022) 0.702 13.254 ( 0.799 1.765 -1.040) 2.199 13.310 ( -0.451 1.569 -1.108) 1.973 13.383 ( -2.204 0.128 1.819) 2.861 13.482 ( -0.230 -1.217 -0.219) 1.258 13.557 ( -3.414 -2.358 -0.279) 4.159 13.573 ( -0.112 0.878 -0.662) 1.105 13.589 ( -1.245 -1.034 -0.560) 1.712 13.863 ( -0.273 -3.173 -0.618) 3.244 14.030 ( 0.116 -1.479 0.798) 1.684 14.234 ( 2.790 0.240 -0.856) 2.928 14.330 ( 2.461 0.699 -0.496) 2.606 14.344 ( 3.319 2.484 4.758) 6.310 14.398 ( -1.952 1.359 -5.981) 6.436 14.466 ( -2.216 -0.166 -0.264) 2.238 14.515 ( -1.393 0.727 -0.055) 1.573 14.842 ( 5.062 1.427 1.451) 5.456 14.975 ( 2.009 2.151 1.269) 3.205 ======================= Grid point 89 (39/78) ======================= q-point: ( 0.50 0.25 -0.75) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( 3.543 -9.996 10.172) 14.695 2.235 ( 8.847 -5.997 -7.325) 12.957 2.422 ( 7.302 -6.119 -2.947) 9.973 2.527 ( 10.609 -6.445 -7.373) 14.438 2.581 ( 5.932 -3.427 6.810) 9.660 2.694 ( 1.560 -1.391 -2.840) 3.527 2.963 ( -0.966 1.582 3.248) 3.740 3.082 ( 8.192 -7.721 -3.000) 11.650 3.104 ( 1.137 -8.706 -4.452) 9.844 3.177 ( 6.084 -7.822 -1.554) 10.030 3.334 ( 3.742 2.483 6.100) 7.575 3.350 ( 3.740 -0.418 -4.060) 5.536 3.424 ( 3.081 0.275 3.593) 4.741 3.459 ( 0.508 -6.082 6.507) 8.921 3.587 ( 0.657 -9.458 -0.095) 9.481 3.660 ( 2.086 -15.718 -2.143) 16.000 3.694 ( -0.593 -10.146 -0.792) 10.194 3.708 ( 0.771 -6.630 1.198) 6.781 3.825 ( 4.499 -3.815 -1.634) 6.120 3.911 ( 0.737 -4.705 -0.847) 4.837 3.964 ( -0.261 -7.440 1.821) 7.664 4.014 ( 6.507 -15.623 -1.395) 16.982 4.121 ( -1.196 -8.238 1.149) 8.403 4.177 ( 4.100 -2.977 -1.126) 5.191 4.257 ( 2.573 -0.577 -1.294) 2.937 4.340 ( 7.306 -2.802 -3.070) 8.406 4.398 ( 3.397 1.326 -2.101) 4.208 4.480 ( 5.004 -7.669 -4.310) 10.121 4.511 ( 9.204 1.089 1.244) 9.351 4.661 ( 7.733 -7.148 -1.052) 10.583 4.819 ( 4.183 -3.097 5.111) 7.294 4.864 ( 4.566 0.672 1.650) 4.902 4.992 ( 2.068 -3.797 -2.679) 5.087 5.072 ( -1.359 -0.987 -0.934) 1.922 5.209 ( 3.674 4.447 5.286) 7.824 5.379 ( -1.867 -2.386 -0.892) 3.158 5.446 ( -1.400 5.850 -5.404) 8.086 5.508 ( 8.685 4.243 2.572) 10.002 5.633 ( 5.587 0.445 12.457) 13.660 5.772 ( -5.037 0.876 -7.498) 9.075 5.859 ( -3.273 4.432 5.743) 7.959 6.132 ( 4.311 -1.453 5.257) 6.952 6.347 ( -1.089 3.845 2.434) 4.679 6.538 ( -6.197 -0.253 -7.332) 9.603 6.760 ( 2.106 7.219 -0.196) 7.522 6.939 ( -3.246 3.415 -3.179) 5.684 7.161 ( -1.020 -2.884 -2.961) 4.257 7.667 ( 2.164 2.669 0.186) 3.441 7.947 ( -0.287 0.006 0.173) 0.336 8.071 ( 0.846 1.969 -0.619) 2.230 8.187 ( -0.508 2.898 -0.090) 2.943 8.300 ( -3.333 3.431 0.755) 4.843 8.316 ( 2.625 -0.640 0.723) 2.797 8.633 ( 0.308 -0.242 -1.142) 1.207 8.705 ( -1.212 -1.368 -1.464) 2.341 8.728 ( -1.595 -0.841 1.143) 2.135 8.774 ( -0.161 -0.891 -0.477) 1.024 8.786 ( 0.493 0.703 1.829) 2.021 8.976 ( -2.310 0.408 0.488) 2.395 9.071 ( -0.524 1.550 -0.502) 1.712 9.227 ( 1.683 0.162 0.393) 1.736 9.245 ( -0.292 -0.359 -0.392) 0.607 9.328 ( -1.632 1.335 -0.371) 2.141 9.427 ( -0.153 0.635 0.320) 0.728 9.635 ( -1.076 0.262 -0.083) 1.110 9.850 ( -1.723 2.068 -0.441) 2.728 9.895 ( -0.609 1.403 0.498) 1.609 10.072 ( -5.873 3.738 0.169) 6.964 10.142 ( 0.260 1.182 -0.057) 1.212 10.210 ( -0.004 0.782 0.089) 0.787 10.590 ( -4.744 5.391 -0.076) 7.181 10.644 ( -6.676 7.142 0.239) 9.779 11.217 ( -1.681 3.814 0.069) 4.169 11.808 ( -2.055 2.195 0.106) 3.009 11.886 ( -4.171 -1.506 0.471) 4.460 12.183 ( 0.817 3.333 -0.774) 3.518 12.211 ( -0.433 4.029 0.627) 4.100 12.228 ( -1.746 4.932 0.489) 5.255 12.326 ( -2.610 3.178 -0.095) 4.113 12.338 ( -1.581 2.329 -1.133) 3.034 12.391 ( -2.236 3.303 -0.741) 4.057 12.424 ( -2.356 1.696 1.536) 3.284 12.478 ( -1.537 2.949 -0.548) 3.371 12.570 ( -1.373 1.794 0.179) 2.266 12.639 ( -0.456 -3.075 0.237) 3.118 12.657 ( -4.516 -2.427 -0.086) 5.127 12.760 ( -1.030 -3.211 0.061) 3.372 12.922 ( -0.633 1.084 -0.062) 1.256 13.082 ( 0.498 1.078 0.438) 1.266 13.091 ( 0.330 1.053 -0.678) 1.296 13.133 ( -0.576 0.172 0.360) 0.701 13.213 ( -0.415 2.474 -0.094) 2.510 13.275 ( 0.066 1.564 -0.749) 1.735 13.376 ( -1.114 -0.599 1.175) 1.727 13.505 ( -0.199 -1.566 0.666) 1.714 13.519 ( -0.098 3.042 -1.028) 3.212 13.586 ( -3.182 -3.623 0.114) 4.824 13.607 ( -0.114 -1.421 -0.848) 1.659 13.932 ( 0.518 -4.128 -0.009) 4.161 14.065 ( 0.199 -2.078 0.030) 2.087 14.244 ( 1.893 0.524 -2.942) 3.538 14.310 ( -0.892 2.681 -2.864) 4.023 14.332 ( 2.901 3.571 4.523) 6.452 14.366 ( 2.078 1.037 2.892) 3.709 14.447 ( -1.997 -0.168 -0.333) 2.032 14.490 ( -1.061 0.665 0.066) 1.254 14.841 ( 1.979 2.881 -0.567) 3.541 14.942 ( 0.687 3.025 -0.407) 3.129 ======================= Grid point 90 (40/78) ======================= q-point: (-0.38 0.25 0.25) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( -1.137 -10.365 2.355) 10.690 2.356 ( 6.156 10.202 4.639) 12.787 2.446 ( 3.606 -2.239 1.086) 4.382 2.511 ( 1.135 0.031 -9.772) 9.837 2.703 ( -0.004 3.141 -6.675) 7.377 2.784 ( 7.201 -5.197 10.035) 13.400 2.928 ( 3.602 5.697 -0.054) 6.741 3.117 ( 0.900 6.570 -5.931) 8.897 3.209 ( 6.123 5.874 0.256) 8.489 3.247 ( 4.480 6.314 0.640) 7.768 3.313 ( 3.022 -0.730 1.300) 3.370 3.387 ( 4.603 0.481 2.578) 5.298 3.440 ( 1.290 5.432 1.447) 5.768 3.556 ( -10.068 3.724 -0.037) 10.735 3.644 ( 4.515 -8.659 3.295) 10.307 3.726 ( -2.146 -3.766 4.841) 6.498 3.820 ( -1.705 -9.133 -1.784) 9.460 3.951 ( -1.458 -5.266 4.582) 7.131 4.003 ( 4.466 -8.039 -0.609) 9.217 4.065 ( 4.111 -12.763 -0.896) 13.439 4.119 ( -1.649 -1.978 3.542) 4.379 4.134 ( -2.809 -5.303 2.069) 6.348 4.260 ( -0.142 -2.428 -1.613) 2.918 4.304 ( 0.352 -5.297 -1.458) 5.505 4.380 ( 0.281 -13.167 -1.318) 13.235 4.384 ( 3.401 2.147 -1.172) 4.190 4.435 ( 1.564 -1.174 -2.847) 3.454 4.531 ( 4.001 4.442 1.883) 6.268 4.594 ( 0.970 -3.450 -4.008) 5.377 4.800 ( -1.979 2.887 1.573) 3.837 4.842 ( 2.835 -1.045 -0.579) 3.076 4.901 ( 2.479 3.310 -0.788) 4.210 5.030 ( -0.837 2.916 -3.145) 4.370 5.041 ( -0.715 0.897 -0.063) 1.149 5.154 ( 2.901 4.673 7.039) 8.933 5.309 ( -4.219 2.698 -4.521) 6.746 5.333 ( -3.541 2.535 -9.626) 10.565 5.543 ( 0.268 -1.473 -0.317) 1.530 5.625 ( -0.404 3.897 1.532) 4.207 5.755 ( 0.722 -0.789 -0.703) 1.280 5.797 ( -4.454 -2.187 -0.562) 4.994 6.143 ( -4.736 4.171 -2.133) 6.661 6.267 ( -0.495 1.530 2.294) 2.802 6.497 ( -2.902 1.705 -10.111) 10.657 6.675 ( 7.299 -1.498 9.474) 12.054 6.912 ( 3.723 3.894 6.752) 8.638 7.206 ( 0.301 -1.822 -0.541) 1.924 7.634 ( 1.502 2.863 0.352) 3.252 7.945 ( -0.218 -0.145 -0.047) 0.266 8.045 ( 1.154 1.843 -0.581) 2.251 8.138 ( -0.430 1.932 -0.125) 1.983 8.214 ( -2.104 2.636 2.126) 3.987 8.347 ( 1.384 -0.427 -0.299) 1.479 8.634 ( -0.415 -0.548 -2.980) 3.058 8.707 ( -1.671 -0.716 -0.599) 1.914 8.743 ( -0.586 -1.617 1.103) 2.043 8.780 ( -0.239 0.088 0.461) 0.526 8.801 ( 0.692 -1.489 0.227) 1.657 8.962 ( -0.912 -0.931 -0.087) 1.306 9.041 ( 0.104 1.121 -0.027) 1.126 9.230 ( 0.057 -0.187 -1.140) 1.156 9.273 ( 1.320 -1.386 1.416) 2.381 9.295 ( -0.775 1.112 -0.081) 1.357 9.416 ( -0.368 0.256 -0.404) 0.603 9.631 ( -0.181 -0.479 0.185) 0.544 9.812 ( -0.474 0.807 -0.156) 0.949 9.875 ( -0.244 0.428 0.109) 0.505 9.990 ( -1.773 0.263 -0.076) 1.794 10.132 ( -0.049 0.244 -0.296) 0.386 10.200 ( 0.124 0.537 0.298) 0.627 10.477 ( -1.573 2.493 0.013) 2.948 10.534 ( -1.630 0.707 0.119) 1.780 11.157 ( -0.588 1.486 0.000) 1.599 11.767 ( -0.464 0.180 -0.142) 0.518 11.900 ( -1.876 -2.774 -0.283) 3.361 12.128 ( 0.415 3.184 -0.881) 3.329 12.157 ( -0.180 1.776 0.103) 1.788 12.167 ( 0.892 2.101 1.614) 2.796 12.254 ( -0.602 3.880 -0.177) 3.930 12.275 ( -0.446 0.312 -0.713) 0.897 12.330 ( -1.934 0.822 0.294) 2.122 12.412 ( 0.807 -0.766 -0.418) 1.188 12.447 ( -2.150 -0.841 -0.533) 2.369 12.539 ( -0.601 0.552 -0.104) 0.823 12.675 ( -1.786 -3.217 0.067) 3.680 12.690 ( -0.002 -2.571 -0.174) 2.577 12.811 ( 0.002 -3.097 0.495) 3.136 12.894 ( -0.398 1.430 -0.157) 1.493 13.075 ( 0.385 0.260 -0.578) 0.741 13.079 ( 1.159 0.811 -0.833) 1.641 13.116 ( -0.831 0.934 0.053) 1.251 13.178 ( -0.580 0.927 2.170) 2.429 13.257 ( 0.303 0.504 -0.637) 0.867 13.389 ( -0.214 -1.413 0.731) 1.605 13.464 ( -0.132 2.500 -1.034) 2.709 13.534 ( 0.317 -1.212 1.442) 1.910 13.620 ( -0.202 -0.907 -0.670) 1.146 13.629 ( -1.346 -3.378 0.055) 3.637 13.990 ( 0.183 -1.451 -0.226) 1.479 14.100 ( 0.051 -1.837 -0.567) 1.923 14.234 ( -0.235 0.873 -3.456) 3.572 14.253 ( 0.030 1.579 -0.345) 1.616 14.321 ( 3.517 2.515 3.408) 5.505 14.381 ( 1.678 1.235 5.442) 5.828 14.436 ( -0.448 -0.202 0.455) 0.670 14.475 ( -0.646 0.023 0.113) 0.656 14.781 ( -0.919 3.881 -2.233) 4.571 14.891 ( -0.758 2.217 -2.325) 3.301 ======================= Grid point 91 (41/78) ======================= q-point: (-0.25 0.25 0.25) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( 4.554 17.009 10.519) 20.511 2.354 ( 2.404 9.434 -1.645) 9.874 2.434 ( 2.478 0.554 4.392) 5.073 2.529 ( 0.479 5.440 -6.293) 8.332 2.606 ( -6.402 0.268 -6.301) 8.987 2.811 ( 5.046 6.280 2.259) 8.366 2.913 ( -3.880 3.129 -8.524) 9.874 2.957 ( 3.016 0.876 8.557) 9.115 3.061 ( -0.159 12.536 -0.241) 12.539 3.225 ( -3.572 6.042 -1.441) 7.166 3.283 ( 4.192 4.859 -1.426) 6.574 3.345 ( -8.170 3.385 0.559) 8.861 3.393 ( 8.514 1.295 3.219) 9.194 3.464 ( 3.616 2.362 4.823) 6.474 3.691 ( -7.942 -0.204 -6.344) 10.167 3.766 ( 6.658 2.297 12.069) 13.974 3.918 ( -3.393 1.666 0.150) 3.783 3.979 ( -5.009 3.212 4.242) 7.307 4.062 ( 2.743 6.237 6.801) 9.627 4.097 ( 1.362 1.789 -0.573) 2.320 4.170 ( 3.451 5.145 4.468) 7.638 4.219 ( 2.209 6.022 -2.650) 6.941 4.260 ( 0.433 6.806 0.842) 6.872 4.316 ( -0.392 2.505 -1.341) 2.868 4.325 ( 1.455 -3.017 -3.879) 5.125 4.362 ( -2.022 5.910 -0.143) 6.248 4.408 ( 1.370 8.197 -0.627) 8.334 4.552 ( 5.894 0.662 5.844) 8.327 4.624 ( -2.001 2.968 -2.132) 4.166 4.714 ( 0.750 1.489 -0.010) 1.668 4.740 ( 0.594 14.242 -0.173) 14.256 4.819 ( -0.926 3.971 -3.310) 5.252 4.964 ( -1.128 4.923 -3.134) 5.944 4.990 ( -5.142 -0.439 -3.315) 6.134 5.061 ( -1.366 7.192 -0.995) 7.388 5.216 ( -5.648 0.681 -11.553) 12.878 5.281 ( 1.981 0.654 1.050) 2.335 5.519 ( -2.948 -0.089 -9.729) 10.167 5.580 ( -1.191 2.985 5.099) 6.027 5.707 ( -8.849 -0.761 -16.156) 18.437 5.809 ( -0.519 -4.885 -1.436) 5.118 6.083 ( 1.022 -0.668 8.541) 8.628 6.298 ( -0.581 -3.766 1.266) 4.015 6.424 ( -0.401 0.468 -3.995) 4.043 6.872 ( 7.244 5.571 13.250) 16.096 6.922 ( 5.049 -7.042 7.114) 11.211 7.205 ( -1.276 0.187 -1.742) 2.167 7.613 ( 1.259 1.217 0.210) 1.764 7.950 ( -0.103 -0.660 -0.213) 0.701 8.028 ( -0.501 0.303 -0.327) 0.671 8.108 ( -0.011 0.720 -0.023) 0.721 8.220 ( 2.187 -1.920 3.528) 4.573 8.355 ( -0.167 0.016 -0.653) 0.674 8.621 ( -1.760 -0.656 -5.135) 5.467 8.698 ( -0.678 0.127 0.283) 0.745 8.761 ( -0.092 -0.236 -1.084) 1.113 8.788 ( 0.145 -0.821 2.147) 2.303 8.829 ( 0.442 -0.644 0.036) 0.782 8.995 ( -0.354 -3.558 -0.538) 3.615 9.042 ( 0.094 -1.019 0.098) 1.028 9.231 ( -0.122 -0.232 -1.066) 1.097 9.267 ( -0.435 1.425 0.225) 1.507 9.315 ( 0.830 -1.482 1.510) 2.273 9.412 ( -0.251 -0.240 -0.405) 0.534 9.641 ( 0.018 -0.617 0.038) 0.618 9.816 ( -0.085 -1.562 0.077) 1.566 9.880 ( -0.038 -1.219 -0.036) 1.220 10.034 ( -0.170 -5.847 -0.410) 5.864 10.131 ( -0.056 -0.599 -0.320) 0.681 10.196 ( 0.087 0.068 0.262) 0.284 10.512 ( -0.073 -7.442 -0.010) 7.442 10.573 ( 0.008 -5.929 0.046) 5.929 11.158 ( -0.136 -2.026 -0.125) 2.034 11.802 ( -0.003 -4.384 -0.110) 4.385 11.930 ( -0.858 -2.308 -1.272) 2.772 12.111 ( 0.617 -1.155 0.047) 1.310 12.142 ( -0.297 -0.047 0.044) 0.304 12.156 ( 0.135 -0.321 0.968) 1.029 12.242 ( -0.276 -3.119 -0.028) 3.131 12.307 ( 1.589 -2.948 -0.148) 3.352 12.324 ( -1.074 -1.965 0.309) 2.260 12.423 ( -0.136 -0.298 -0.424) 0.536 12.480 ( -0.204 -4.169 -0.653) 4.225 12.538 ( -0.371 -1.033 -0.566) 1.235 12.715 ( -0.317 -1.315 -0.740) 1.542 12.734 ( -0.331 -3.911 0.075) 3.926 12.863 ( -0.539 -1.371 0.488) 1.552 12.870 ( 0.967 0.146 0.204) 0.999 13.068 ( -0.436 0.594 -1.177) 1.389 13.079 ( 0.296 -0.447 -0.581) 0.790 13.102 ( 0.350 0.113 0.563) 0.672 13.186 ( 0.384 -0.846 2.795) 2.945 13.254 ( -0.200 -0.204 -0.923) 0.966 13.426 ( 0.087 -2.367 0.161) 2.374 13.432 ( -0.189 0.585 0.094) 0.622 13.554 ( 0.442 -0.005 0.597) 0.743 13.623 ( 0.253 0.252 0.304) 0.469 13.685 ( -0.015 -3.525 -0.100) 3.526 13.984 ( -0.099 1.325 -0.850) 1.577 14.122 ( -0.546 -0.987 -0.472) 1.222 14.203 ( -1.076 0.783 -0.373) 1.382 14.241 ( 0.023 0.642 -0.279) 0.700 14.339 ( 4.378 1.313 3.113) 5.530 14.393 ( -0.031 -0.253 3.811) 3.820 14.445 ( 1.261 0.399 1.740) 2.186 14.481 ( 0.266 -0.906 0.085) 0.948 14.689 ( -2.099 3.393 -3.278) 5.164 14.841 ( -1.906 0.751 -3.427) 3.993 ======================= Grid point 92 (42/78) ======================= q-point: (-0.12 0.25 0.25) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( 11.325 16.165 19.036) 27.422 2.027 ( 3.108 26.151 6.532) 27.133 2.226 ( -3.429 18.450 -7.075) 20.055 2.422 ( -0.743 4.183 -10.420) 11.253 2.595 ( 1.973 0.099 1.257) 2.342 2.776 ( -1.252 2.290 -7.621) 8.056 2.847 ( -2.158 1.836 -5.300) 6.010 2.889 ( 5.781 7.372 0.258) 9.372 2.920 ( 1.673 9.409 5.836) 11.197 3.045 ( -4.858 4.821 1.511) 7.009 3.237 ( -4.859 3.389 -0.336) 5.934 3.245 ( 3.504 5.715 6.725) 9.496 3.410 ( 1.001 11.495 0.600) 11.554 3.481 ( 6.488 0.982 4.760) 8.106 3.573 ( -3.516 6.564 -6.150) 9.658 3.667 ( 0.736 13.259 2.078) 13.441 3.745 ( -0.243 16.334 1.468) 16.402 3.819 ( -0.021 4.113 3.916) 5.679 3.890 ( 7.286 19.409 2.006) 20.828 4.005 ( 0.606 9.090 0.954) 9.160 4.038 ( 2.841 13.081 -1.262) 13.445 4.089 ( 7.989 8.172 3.697) 12.011 4.133 ( 0.676 8.584 2.012) 8.842 4.210 ( 1.298 9.646 -2.081) 9.953 4.278 ( -1.130 13.516 2.204) 13.741 4.306 ( 2.583 6.969 0.088) 7.432 4.345 ( 7.216 7.224 4.942) 11.344 4.411 ( -0.311 12.146 1.225) 12.211 4.535 ( 3.238 4.182 -5.573) 7.683 4.572 ( 2.451 11.822 -0.900) 12.107 4.621 ( 4.074 6.647 2.864) 8.305 4.680 ( 0.339 9.439 1.780) 9.612 4.866 ( -10.648 -0.139 -18.003) 20.917 4.906 ( 0.786 0.471 -1.874) 2.086 5.005 ( 0.977 -0.299 -0.500) 1.138 5.127 ( -2.985 1.255 -6.321) 7.102 5.273 ( -0.581 2.775 -1.357) 3.143 5.471 ( -1.236 -1.306 -6.764) 6.999 5.528 ( -2.344 -2.291 -0.626) 3.337 5.674 ( -3.496 -3.835 -5.669) 7.686 5.903 ( 0.220 -5.292 1.015) 5.393 6.137 ( 0.300 -1.193 4.583) 4.745 6.360 ( -0.621 -2.489 2.259) 3.418 6.445 ( -0.405 -3.698 -0.368) 3.739 6.839 ( 3.205 5.107 8.110) 10.106 7.071 ( 1.609 -0.412 0.926) 1.902 7.247 ( 1.441 -6.064 5.628) 8.397 7.611 ( 0.679 0.061 -0.931) 1.154 7.962 ( -0.201 -0.845 -0.390) 0.952 8.027 ( -1.712 -1.672 0.514) 2.448 8.124 ( 2.603 -0.618 0.263) 2.688 8.303 ( 1.761 -2.710 0.490) 3.269 8.347 ( -1.245 -0.794 1.102) 1.842 8.599 ( -1.594 -0.965 -4.798) 5.147 8.693 ( 0.299 0.389 0.667) 0.828 8.754 ( -0.157 0.082 -1.677) 1.686 8.807 ( -0.126 -0.345 1.578) 1.621 8.829 ( -0.098 0.722 0.207) 0.757 9.057 ( -1.029 -3.655 -0.318) 3.811 9.072 ( -0.305 -2.404 -0.119) 2.426 9.226 ( 0.551 0.880 0.434) 1.125 9.241 ( -0.813 0.741 -0.546) 1.228 9.353 ( -0.101 -2.183 0.907) 2.366 9.415 ( -0.208 -0.460 -0.307) 0.591 9.653 ( -0.024 -0.787 -0.056) 0.790 9.860 ( -0.508 -3.625 0.020) 3.661 9.913 ( -0.433 -2.710 0.156) 2.749 10.103 ( 0.016 -0.913 -0.437) 1.012 10.200 ( -0.472 -2.095 -0.077) 2.149 10.205 ( -1.136 -7.661 -0.378) 7.754 10.697 ( -2.532 -13.418 -0.020) 13.655 10.725 ( -1.133 -11.690 -0.023) 11.745 11.218 ( -0.579 -5.026 -0.059) 5.059 11.898 ( -2.393 -6.865 -0.236) 7.274 11.957 ( 0.112 -2.290 -1.189) 2.583 12.161 ( 0.539 -2.455 0.734) 2.618 12.180 ( -0.528 -2.670 0.595) 2.786 12.186 ( -0.900 -6.126 -0.231) 6.196 12.325 ( -1.024 -5.302 0.642) 5.438 12.368 ( 0.027 -4.343 -0.631) 4.389 12.401 ( -1.062 -6.835 -0.099) 6.917 12.438 ( 0.220 -1.799 -0.140) 1.818 12.555 ( -0.385 -3.108 -0.553) 3.180 12.557 ( -0.919 -3.506 -0.701) 3.692 12.714 ( -1.336 -0.006 -0.310) 1.371 12.808 ( 0.308 -3.983 -0.335) 4.009 12.851 ( -0.603 0.189 0.564) 0.847 12.910 ( 0.508 -1.682 0.484) 1.822 13.056 ( -1.098 -0.613 0.007) 1.257 13.087 ( -0.301 -0.588 -0.473) 0.812 13.118 ( 1.032 -0.696 0.346) 1.292 13.216 ( 0.293 -0.895 1.090) 1.441 13.259 ( -0.539 -1.489 -0.743) 1.749 13.434 ( -0.620 -0.947 1.433) 1.826 13.474 ( -0.139 -2.846 -0.206) 2.857 13.544 ( 0.316 1.388 -0.714) 1.593 13.619 ( 0.307 0.906 0.984) 1.373 13.738 ( 0.288 -1.999 -0.148) 2.025 13.958 ( 0.407 1.376 -0.419) 1.495 14.114 ( -1.712 0.606 -0.022) 1.816 14.183 ( -0.183 0.840 0.594) 1.045 14.225 ( -0.952 0.287 -0.336) 1.049 14.362 ( 1.672 1.560 1.335) 2.648 14.421 ( 1.322 -2.125 1.634) 2.989 14.462 ( 1.780 -0.009 1.928) 2.624 14.503 ( 0.580 -0.790 -0.082) 0.984 14.621 ( -0.700 1.497 -2.295) 2.828 14.815 ( -1.381 -1.034 -2.512) 3.048 ======================= Grid point 96 (43/78) ======================= q-point: ( 0.38 0.38 -0.75) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( 2.175 0.000 15.217) 15.372 1.912 ( 10.451 0.000 9.297) 13.988 2.142 ( 12.051 0.000 -9.047) 15.068 2.192 ( 15.881 0.000 -12.402) 20.150 2.539 ( 7.947 0.000 7.767) 11.113 2.636 ( 0.100 0.000 -9.017) 9.018 2.809 ( 5.747 0.000 3.266) 6.611 2.891 ( -1.210 -0.000 -6.790) 6.897 2.925 ( 6.024 0.000 3.218) 6.830 2.982 ( -0.472 -0.000 -4.774) 4.798 3.128 ( -2.596 -0.000 4.999) 5.633 3.147 ( -1.857 -0.000 -4.479) 4.849 3.307 ( 2.653 0.000 -1.396) 2.998 3.327 ( 7.829 0.000 -1.933) 8.064 3.401 ( 3.084 0.000 3.704) 4.820 3.413 ( 7.811 0.000 3.405) 8.521 3.459 ( 2.346 0.000 1.984) 3.072 3.636 ( -0.365 -0.000 -0.801) 0.880 3.723 ( 7.415 0.000 3.179) 8.068 3.836 ( 8.108 0.000 0.496) 8.123 3.859 ( 10.283 0.000 -7.849) 12.936 3.967 ( 4.399 0.000 -2.433) 5.027 4.013 ( 1.486 0.000 0.979) 1.779 4.136 ( 10.027 0.000 -3.381) 10.582 4.178 ( 5.645 0.000 1.076) 5.746 4.302 ( 4.896 0.000 -3.497) 6.017 4.453 ( 5.359 0.000 0.816) 5.421 4.455 ( 14.987 0.000 1.066) 15.025 4.496 ( -0.639 -0.000 -10.803) 10.822 4.599 ( 7.591 0.000 0.066) 7.591 4.667 ( 7.941 0.000 12.705) 14.983 4.861 ( 0.296 0.000 8.077) 8.083 4.949 ( 8.150 0.000 -2.282) 8.464 5.033 ( -0.922 -0.000 -0.585) 1.092 5.270 ( 7.449 0.000 1.107) 7.530 5.330 ( -2.345 -0.000 -4.991) 5.515 5.553 ( 4.870 0.000 -1.134) 5.000 5.617 ( 4.539 0.000 -2.002) 4.961 5.621 ( 7.069 0.000 16.286) 17.753 5.769 ( -8.636 -0.000 -9.946) 13.172 6.014 ( 0.505 0.000 6.672) 6.692 6.115 ( 4.599 0.000 6.078) 7.621 6.370 ( -4.796 -0.000 1.397) 4.995 6.557 ( -5.256 -0.000 -8.436) 9.939 6.900 ( 10.983 0.000 12.872) 16.921 7.053 ( 1.235 0.000 -1.220) 1.736 7.058 ( -13.957 -0.000 -17.092) 22.066 7.718 ( 3.049 0.000 0.561) 3.100 7.945 ( -0.546 -0.000 0.257) 0.603 8.105 ( -0.016 -0.000 -0.846) 0.846 8.253 ( 2.803 0.000 0.104) 2.805 8.299 ( 0.493 0.000 1.736) 1.805 8.368 ( -2.684 -0.000 0.064) 2.684 8.631 ( 0.611 0.000 0.007) 0.611 8.693 ( -1.418 -0.000 -2.802) 3.141 8.702 ( -2.287 -0.000 0.100) 2.289 8.765 ( -0.395 -0.000 -0.234) 0.459 8.808 ( 1.110 0.000 2.895) 3.100 8.981 ( -2.563 -0.000 0.469) 2.605 9.095 ( -0.788 -0.000 -0.776) 1.106 9.226 ( 1.527 0.000 0.358) 1.568 9.258 ( 0.132 0.000 -0.294) 0.323 9.356 ( -2.396 -0.000 -0.656) 2.484 9.445 ( -0.368 -0.000 0.698) 0.789 9.644 ( -1.633 -0.000 -0.198) 1.645 9.895 ( -2.878 -0.000 -1.198) 3.117 9.930 ( -0.753 -0.000 1.337) 1.534 10.122 ( -2.980 -0.000 0.063) 2.980 10.203 ( -3.628 -0.000 0.369) 3.647 10.230 ( -1.196 -0.000 -0.243) 1.221 10.701 ( -7.471 -0.000 -0.047) 7.471 10.815 ( -9.018 -0.000 0.185) 9.020 11.314 ( -2.229 -0.000 -0.037) 2.230 11.794 ( -3.698 -0.000 0.747) 3.773 11.921 ( -4.989 -0.000 -0.002) 4.989 12.285 ( -2.815 -0.000 -0.537) 2.866 12.294 ( -1.199 -0.000 -0.890) 1.493 12.325 ( -1.003 -0.000 0.683) 1.214 12.349 ( -3.460 -0.000 0.238) 3.468 12.389 ( -1.826 -0.000 -0.067) 1.827 12.464 ( -2.473 -0.000 -0.359) 2.498 12.500 ( -0.708 -0.000 0.788) 1.059 12.528 ( -0.481 -0.000 0.617) 0.782 12.598 ( -6.142 -0.000 -0.638) 6.175 12.613 ( -1.432 -0.000 0.264) 1.456 12.637 ( -4.950 -0.000 -0.618) 4.989 12.681 ( -1.831 -0.000 -0.175) 1.840 12.940 ( -0.742 -0.000 0.197) 0.768 13.107 ( -0.599 -0.000 0.154) 0.619 13.119 ( 0.354 0.000 1.114) 1.169 13.131 ( -0.521 -0.000 -0.154) 0.543 13.283 ( 1.620 0.000 -1.123) 1.971 13.309 ( -0.979 -0.000 -1.659) 1.926 13.377 ( -1.336 -0.000 2.282) 2.645 13.447 ( -2.972 -0.000 -0.254) 2.983 13.513 ( -0.476 -0.000 0.880) 1.001 13.561 ( -0.186 -0.000 -0.782) 0.804 13.591 ( -0.232 -0.000 -0.903) 0.932 13.829 ( 0.094 0.000 -0.188) 0.211 14.018 ( -0.136 -0.000 0.019) 0.137 14.252 ( 1.964 0.000 -3.024) 3.606 14.376 ( -1.479 -0.000 -5.180) 5.387 14.376 ( 3.578 0.000 4.647) 5.864 14.422 ( 3.794 0.000 5.744) 6.883 14.440 ( -2.271 -0.000 -0.322) 2.293 14.509 ( -1.223 -0.000 -0.021) 1.223 14.896 ( 2.837 0.000 -0.917) 2.982 15.011 ( 0.840 0.000 -0.429) 0.943 ======================= Grid point 97 (44/78) ======================= q-point: ( 0.50 0.38 -0.75) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( -3.728 -4.766 9.893) 11.597 2.204 ( 4.787 -15.262 3.653) 16.407 2.277 ( 9.670 -7.641 -2.004) 12.486 2.415 ( 8.633 -8.189 -9.374) 15.148 2.645 ( 7.801 -1.354 6.106) 9.999 2.669 ( 1.260 -9.427 -4.172) 10.385 2.837 ( -0.258 1.540 0.167) 1.571 2.991 ( 0.300 -9.292 0.151) 9.298 3.019 ( -2.428 -5.901 -5.790) 8.616 3.075 ( 2.702 -4.953 1.813) 5.927 3.185 ( 3.873 -15.483 -1.109) 15.999 3.266 ( -3.562 -12.423 2.439) 13.152 3.392 ( 1.076 -1.111 4.041) 4.326 3.432 ( 2.034 -8.968 -0.561) 9.213 3.458 ( 4.797 -7.563 0.924) 9.003 3.501 ( 3.577 -0.210 1.392) 3.844 3.560 ( 2.732 -5.758 3.351) 7.201 3.702 ( 1.145 4.661 1.837) 5.139 3.733 ( -0.864 -9.364 -1.522) 9.526 3.898 ( 3.332 -1.708 -4.502) 5.856 3.928 ( 5.264 -0.141 0.586) 5.298 3.962 ( 0.704 4.747 0.044) 4.799 4.042 ( 4.606 -2.243 1.537) 5.349 4.218 ( 4.005 1.511 -0.119) 4.283 4.264 ( 1.959 -3.177 1.627) 4.071 4.373 ( 4.905 -2.025 -5.598) 7.713 4.405 ( 1.771 0.026 -7.576) 7.780 4.495 ( 6.861 2.529 4.177) 8.421 4.594 ( 6.873 -0.756 -1.022) 6.989 4.681 ( 5.549 -2.000 1.293) 6.038 4.811 ( 1.884 -3.647 10.017) 10.826 4.877 ( -1.288 0.133 3.796) 4.011 4.993 ( 3.972 0.560 -3.414) 5.268 5.042 ( 0.065 -1.408 -0.902) 1.673 5.264 ( -3.679 0.244 -9.191) 9.903 5.321 ( 1.206 0.129 0.463) 1.298 5.511 ( -1.521 4.466 -6.289) 7.862 5.623 ( -7.857 0.244 -9.566) 12.381 5.665 ( 5.911 1.452 0.778) 6.136 5.732 ( 2.307 -0.655 5.596) 6.088 5.957 ( -3.463 6.440 5.752) 9.303 6.184 ( 0.452 0.734 4.464) 4.547 6.367 ( 1.711 -1.140 9.066) 9.296 6.497 ( 0.578 1.312 -5.267) 5.459 6.799 ( -11.003 4.463 -16.759) 20.539 7.035 ( 5.981 2.433 8.283) 10.502 7.114 ( 5.541 -2.676 4.497) 7.621 7.729 ( 1.632 1.753 0.451) 2.436 7.942 ( -0.406 -0.135 0.087) 0.437 8.099 ( 0.603 0.867 -0.179) 1.071 8.246 ( 0.951 2.895 0.282) 3.060 8.313 ( -1.586 0.776 -0.792) 1.935 8.330 ( -0.173 0.341 1.299) 1.354 8.636 ( 0.673 0.246 -0.851) 1.112 8.670 ( -1.143 -0.383 -2.258) 2.560 8.694 ( -1.518 -1.046 -0.097) 1.846 8.762 ( -0.225 -0.141 -0.402) 0.482 8.817 ( 0.471 0.868 2.932) 3.094 8.962 ( -1.524 0.129 0.596) 1.642 9.081 ( -0.404 0.544 -0.990) 1.200 9.237 ( -0.004 -0.287 0.520) 0.594 9.259 ( 1.883 0.986 -0.297) 2.146 9.327 ( -1.650 0.655 -0.148) 1.782 9.432 ( -1.081 0.540 -0.615) 1.356 9.629 ( -0.685 0.179 0.385) 0.806 9.860 ( -1.287 1.101 -0.961) 1.947 9.918 ( -0.342 1.215 1.107) 1.679 10.068 ( -4.013 1.732 -0.000) 4.371 10.166 ( -0.518 1.439 -0.506) 1.610 10.223 ( 0.152 0.530 0.260) 0.609 10.620 ( -3.054 2.760 0.173) 4.120 10.694 ( -5.298 5.137 0.026) 7.380 11.267 ( -1.088 3.164 0.094) 3.347 11.788 ( -1.853 -2.234 0.273) 2.915 11.857 ( -2.962 2.359 -0.175) 3.791 12.235 ( -0.301 1.797 -0.658) 1.937 12.270 ( -2.494 2.982 -0.986) 4.010 12.276 ( -0.800 2.316 0.184) 2.457 12.319 ( -0.481 1.115 1.211) 1.715 12.369 ( -1.256 1.675 -0.203) 2.104 12.422 ( -1.570 2.285 -1.250) 3.041 12.454 ( 0.005 3.038 0.524) 3.083 12.540 ( -2.372 4.712 -0.400) 5.290 12.560 ( -1.870 -2.080 0.161) 2.802 12.578 ( -1.910 -2.125 0.180) 2.863 12.601 ( -0.350 0.105 0.337) 0.497 12.695 ( -0.745 -2.851 0.009) 2.946 12.930 ( -0.503 0.499 0.039) 0.710 13.095 ( -0.415 0.696 -0.321) 0.871 13.115 ( 0.467 0.883 0.562) 1.147 13.131 ( -0.281 -0.058 0.661) 0.721 13.255 ( 0.044 2.837 -1.170) 3.069 13.298 ( 0.148 0.836 -1.511) 1.733 13.370 ( -0.529 0.225 2.392) 2.460 13.457 ( -1.380 -3.267 0.540) 3.588 13.524 ( -0.277 -1.099 0.837) 1.409 13.564 ( -0.124 1.796 -1.125) 2.123 13.577 ( 0.107 -1.258 -0.706) 1.447 13.866 ( 0.512 -3.514 0.438) 3.578 14.027 ( -0.607 -1.640 -0.956) 1.993 14.258 ( 1.459 0.214 -2.862) 3.219 14.329 ( -1.291 2.073 -4.000) 4.687 14.399 ( -1.046 1.090 2.751) 3.138 14.437 ( 3.097 0.437 4.306) 5.322 14.459 ( 2.917 1.933 5.902) 6.861 14.493 ( -0.652 0.598 0.035) 0.886 14.889 ( 0.166 1.803 -3.017) 3.518 14.988 ( -0.491 2.273 -2.054) 3.103 ======================= Grid point 98 (45/78) ======================= q-point: (-0.38 -0.62 0.25) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( -5.315 -10.575 6.233) 13.376 2.397 ( 5.367 -5.313 -4.110) 8.598 2.421 ( -2.825 -1.956 -3.675) 5.031 2.595 ( 1.745 -4.563 3.588) 6.061 2.686 ( 0.633 0.593 -2.726) 2.861 2.838 ( 8.011 -1.058 7.194) 10.819 2.928 ( -3.374 -0.539 -4.928) 5.997 3.086 ( 0.553 -17.955 0.698) 17.977 3.153 ( -2.433 -9.002 0.479) 9.337 3.275 ( 2.798 -8.850 -3.254) 9.836 3.399 ( -5.540 -3.525 1.878) 6.829 3.424 ( 1.906 -2.445 1.319) 3.369 3.459 ( 4.264 2.370 5.564) 7.400 3.524 ( 3.649 0.087 3.518) 5.069 3.557 ( -3.758 -5.036 -0.561) 6.309 3.629 ( 1.477 -3.099 -0.644) 3.493 3.720 ( 2.249 -11.126 4.636) 12.262 3.762 ( 0.182 -12.515 2.218) 12.711 3.841 ( -0.808 -4.552 -2.493) 5.252 3.929 ( -0.549 -6.932 -0.269) 6.959 3.985 ( 2.861 -7.207 -1.807) 7.961 4.069 ( -1.609 -11.314 3.505) 11.953 4.115 ( 1.031 -1.893 0.930) 2.348 4.193 ( -2.711 -3.092 -0.188) 4.116 4.283 ( 0.463 -0.292 -0.242) 0.599 4.421 ( 1.459 -1.679 -3.590) 4.223 4.480 ( 2.883 -0.036 -0.979) 3.045 4.544 ( 3.892 -1.010 -1.760) 4.389 4.622 ( -1.426 0.474 2.066) 2.555 4.742 ( 0.760 -1.527 1.413) 2.215 4.851 ( -3.196 -2.037 -4.725) 6.057 4.901 ( -1.019 -2.677 2.918) 4.089 5.013 ( -2.718 -1.157 -0.928) 3.097 5.036 ( -1.076 0.085 -1.225) 1.633 5.201 ( -2.732 -0.778 -10.454) 10.833 5.309 ( -1.400 2.894 4.877) 5.841 5.385 ( -0.159 5.867 -1.730) 6.119 5.514 ( -5.118 0.261 -10.091) 11.318 5.678 ( 2.369 2.345 -2.145) 3.964 5.759 ( 0.296 0.630 0.662) 0.961 5.795 ( -5.311 7.564 4.551) 10.302 6.142 ( -4.486 1.394 4.636) 6.600 6.328 ( -1.788 5.887 -2.167) 6.523 6.510 ( 1.236 2.616 -7.090) 7.658 6.693 ( 4.254 -3.548 3.669) 6.644 7.047 ( 2.174 2.303 3.708) 4.877 7.216 ( 5.587 0.741 5.340) 7.764 7.699 ( 0.591 2.752 0.811) 2.929 7.941 ( -0.208 -0.061 -0.168) 0.274 8.081 ( 0.066 1.870 -0.448) 1.924 8.194 ( 0.757 3.559 -0.090) 3.640 8.251 ( -0.982 2.566 0.818) 2.867 8.346 ( -0.104 -0.512 0.513) 0.732 8.625 ( 0.294 0.781 -3.035) 3.147 8.675 ( -0.559 -1.295 -0.734) 1.590 8.708 ( -0.486 -1.722 0.657) 1.906 8.764 ( -0.043 -0.617 -0.913) 1.103 8.811 ( 0.187 0.762 2.331) 2.460 8.951 ( -0.221 0.250 0.268) 0.428 9.063 ( 0.062 1.079 -0.645) 1.259 9.231 ( -0.446 0.789 -0.641) 1.110 9.268 ( 0.480 -0.907 1.016) 1.444 9.308 ( 0.535 0.999 0.170) 1.146 9.410 ( -1.074 0.176 -1.209) 1.627 9.629 ( 0.429 0.025 0.528) 0.680 9.828 ( -0.102 1.382 -0.574) 1.500 9.893 ( 0.035 1.558 0.526) 1.644 10.007 ( -0.051 2.517 -0.059) 2.518 10.140 ( -0.207 0.918 -0.480) 1.057 10.214 ( 0.150 0.766 0.370) 0.864 10.554 ( 1.166 5.778 0.014) 5.894 10.559 ( -1.214 3.838 0.166) 4.029 11.200 ( -0.044 3.539 0.062) 3.539 11.790 ( -0.009 2.674 -0.233) 2.684 11.831 ( -0.487 -3.314 -0.083) 3.351 12.190 ( -0.775 3.799 -0.717) 3.943 12.197 ( -0.137 3.181 -0.101) 3.186 12.236 ( 1.987 2.468 1.081) 3.348 12.280 ( -1.428 2.391 0.020) 2.785 12.325 ( 0.694 2.805 -0.107) 2.892 12.353 ( -0.624 3.155 -1.048) 3.382 12.412 ( 0.062 1.954 0.444) 2.005 12.450 ( -0.201 2.377 -1.185) 2.664 12.552 ( -0.225 1.372 -0.136) 1.397 12.606 ( 0.047 -3.160 0.460) 3.193 12.642 ( -0.056 -2.837 0.084) 2.839 12.754 ( 0.268 -3.729 0.381) 3.758 12.913 ( -0.101 1.044 -0.122) 1.056 13.078 ( -0.321 0.578 -0.644) 0.923 13.108 ( 0.906 0.989 0.235) 1.361 13.125 ( -0.456 0.601 0.329) 0.823 13.204 ( -0.193 2.293 0.215) 2.311 13.277 ( 0.285 1.186 -0.753) 1.433 13.374 ( -0.181 -0.407 1.623) 1.683 13.507 ( 0.306 1.424 -0.698) 1.615 13.520 ( 0.677 -0.940 0.889) 1.460 13.554 ( -0.319 -2.842 0.255) 2.871 13.604 ( 0.180 -1.381 -0.711) 1.564 13.943 ( 0.337 -3.990 0.448) 4.029 14.054 ( -0.730 -2.503 -1.204) 2.872 14.245 ( -0.826 1.813 -2.848) 3.476 14.271 ( -0.400 1.267 -1.620) 2.095 14.377 ( -0.330 0.894 1.639) 1.896 14.456 ( 2.492 3.248 5.564) 6.908 14.473 ( 2.374 0.995 4.641) 5.307 14.480 ( 0.809 0.683 1.317) 1.690 14.823 ( -2.006 3.318 -4.103) 5.645 14.917 ( -1.672 3.254 -3.397) 4.992 ======================= Grid point 99 (46/78) ======================= q-point: (-0.25 -0.62 0.25) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( -4.188 -11.455 3.339) 12.646 2.372 ( -3.519 0.647 -5.147) 6.268 2.485 ( -2.795 -1.879 -0.987) 3.510 2.599 ( 7.912 4.678 10.509) 13.962 2.647 ( -2.241 5.456 -4.274) 7.284 2.843 ( -4.806 0.754 -12.258) 13.188 2.926 ( 0.403 -0.116 7.827) 7.838 3.128 ( 1.055 10.687 -3.187) 11.202 3.239 ( -4.924 -0.920 0.133) 5.011 3.290 ( -10.145 0.974 -0.373) 10.199 3.302 ( -2.158 9.576 4.336) 10.731 3.363 ( -5.054 8.457 1.923) 10.039 3.502 ( 4.962 -7.396 3.402) 9.534 3.548 ( 3.034 3.062 -0.551) 4.346 3.560 ( -4.154 -1.194 -2.092) 4.802 3.810 ( 4.061 -10.144 -0.546) 10.940 3.860 ( -0.407 -2.057 4.133) 4.635 3.914 ( -0.231 -6.576 7.572) 10.031 4.056 ( -1.074 -12.764 -0.338) 12.813 4.087 ( 1.234 -4.492 0.521) 4.687 4.125 ( 2.534 -6.771 0.486) 7.246 4.168 ( 1.170 -7.148 4.096) 8.321 4.258 ( -1.032 -9.264 1.815) 9.496 4.300 ( 0.571 -1.173 -1.022) 1.657 4.345 ( -2.864 -6.955 -2.345) 7.879 4.420 ( -0.553 -6.582 -2.080) 6.925 4.468 ( 5.422 5.373 2.271) 7.964 4.544 ( -2.259 0.373 -8.417) 8.723 4.593 ( 0.457 1.964 4.878) 5.279 4.742 ( -6.698 -1.517 -8.991) 11.314 4.855 ( -3.633 -1.579 -4.304) 5.850 4.879 ( -1.347 0.469 -4.150) 4.388 4.964 ( -4.469 2.895 -3.363) 6.297 5.038 ( 2.257 6.548 10.447) 12.534 5.129 ( -0.865 3.037 -1.578) 3.530 5.240 ( 0.202 4.443 6.129) 7.572 5.329 ( 0.134 0.673 0.747) 1.014 5.454 ( -1.791 0.266 -7.436) 7.654 5.576 ( -8.888 4.650 -14.841) 17.913 5.656 ( -1.073 3.815 8.498) 9.376 5.755 ( 1.552 -0.393 -3.047) 3.442 6.117 ( 0.035 0.664 8.916) 8.941 6.253 ( 0.316 0.201 -0.380) 0.534 6.434 ( -0.577 2.313 -6.979) 7.375 6.866 ( 3.732 -6.576 4.085) 8.594 7.040 ( 3.055 2.178 4.898) 6.170 7.214 ( 0.385 3.589 -0.501) 3.644 7.660 ( 0.355 2.523 0.553) 2.607 7.941 ( 0.027 -0.177 -0.037) 0.183 8.031 ( -1.982 1.961 -0.714) 2.878 8.154 ( 2.591 2.585 -0.393) 3.681 8.238 ( 2.005 0.225 2.828) 3.474 8.346 ( -1.281 -0.174 -0.195) 1.308 8.597 ( -0.322 1.062 -3.643) 3.809 8.690 ( -0.179 -0.797 0.522) 0.969 8.744 ( 0.250 -1.889 0.716) 2.035 8.774 ( 0.101 -0.725 -0.532) 0.905 8.819 ( 0.440 -0.743 0.614) 1.059 8.953 ( 0.329 -0.626 -0.077) 0.712 9.044 ( 0.107 0.941 -0.029) 0.948 9.216 ( -0.577 -0.195 -0.641) 0.884 9.291 ( 0.462 0.835 0.211) 0.978 9.300 ( -0.230 -1.067 0.742) 1.320 9.403 ( -0.118 -0.298 -0.507) 0.600 9.636 ( 0.380 -0.144 0.178) 0.443 9.810 ( 0.326 0.658 -0.147) 0.749 9.875 ( 0.222 0.584 0.095) 0.632 9.988 ( 1.688 0.379 -0.076) 1.732 10.128 ( -0.109 0.151 -0.261) 0.321 10.204 ( 0.026 0.589 0.263) 0.645 10.476 ( 1.470 2.533 0.017) 2.929 10.534 ( 1.620 0.698 0.117) 1.768 11.155 ( 0.423 1.575 0.001) 1.631 11.765 ( 0.420 0.147 -0.142) 0.467 11.886 ( 0.983 -2.365 -0.256) 2.574 12.123 ( -0.695 2.582 -0.382) 2.701 12.149 ( 0.196 1.744 -0.048) 1.756 12.189 ( -0.233 3.098 1.402) 3.409 12.255 ( 0.517 3.066 -0.230) 3.118 12.274 ( 0.857 0.091 -0.828) 1.195 12.328 ( 1.957 0.740 0.301) 2.114 12.403 ( -1.469 -0.764 -0.453) 1.716 12.444 ( 2.157 -0.783 -0.519) 2.353 12.532 ( 0.237 0.726 -0.085) 0.769 12.676 ( 1.689 -3.195 -0.014) 3.614 12.680 ( -0.564 -2.073 -0.006) 2.148 12.820 ( 0.331 -3.082 0.441) 3.131 12.894 ( 0.513 1.200 -0.177) 1.317 13.064 ( -0.952 0.332 -0.579) 1.163 13.087 ( -0.001 1.500 -0.844) 1.721 13.116 ( 0.742 0.390 0.220) 0.867 13.189 ( 0.288 -0.024 2.239) 2.257 13.258 ( -0.122 0.943 -0.959) 1.350 13.393 ( -0.082 -1.441 1.240) 1.902 13.457 ( 0.203 2.424 -1.288) 2.752 13.558 ( 0.645 -0.688 1.294) 1.601 13.620 ( 0.004 -0.671 -0.540) 0.862 13.626 ( 1.632 -3.979 -0.100) 4.302 13.991 ( 0.111 -0.929 -0.210) 0.958 14.086 ( -0.610 -2.080 -0.494) 2.224 14.191 ( -1.876 0.957 -1.174) 2.412 14.249 ( -1.300 0.524 -0.515) 1.493 14.381 ( 1.155 -0.092 1.749) 2.098 14.437 ( 1.775 3.005 3.425) 4.890 14.473 ( 0.952 0.410 0.655) 1.226 14.498 ( 1.745 0.974 3.382) 3.928 14.723 ( -2.244 3.750 -3.326) 5.492 14.836 ( -1.917 2.324 -3.221) 4.410 ======================= Grid point 100 (47/78) ======================= q-point: (-0.12 0.38 0.25) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( 1.727 3.203 1.176) 3.824 2.326 ( -1.373 7.646 -2.964) 8.315 2.423 ( -4.533 0.265 -3.665) 5.835 2.529 ( -2.950 0.370 -2.661) 3.991 2.563 ( 4.129 11.917 10.452) 16.380 2.747 ( -2.004 2.006 -9.991) 10.385 2.825 ( -1.321 3.519 -1.832) 4.181 3.018 ( -2.029 3.554 2.187) 4.640 3.071 ( -6.526 10.631 -5.065) 13.463 3.165 ( 3.883 7.331 8.589) 11.942 3.212 ( -4.694 0.493 -0.343) 4.732 3.238 ( -6.600 -5.148 2.520) 8.741 3.479 ( -0.795 3.062 -5.377) 6.238 3.543 ( -0.067 1.304 -1.509) 1.995 3.639 ( 4.807 0.600 6.852) 8.392 3.843 ( -0.217 1.824 0.384) 1.876 3.867 ( -4.139 0.582 -0.051) 4.180 3.967 ( 0.344 5.252 2.291) 5.740 4.107 ( -1.897 3.915 1.303) 4.541 4.196 ( 5.824 0.598 4.636) 7.468 4.230 ( 3.885 5.102 -0.463) 6.429 4.268 ( 2.085 -1.262 1.947) 3.119 4.308 ( 1.931 -0.055 -2.137) 2.880 4.338 ( 1.913 6.140 -2.489) 6.896 4.342 ( 2.573 5.650 -3.144) 6.959 4.379 ( 2.809 1.266 1.271) 3.333 4.501 ( 3.927 1.274 1.900) 4.545 4.595 ( -0.398 -5.096 -5.533) 7.533 4.645 ( -1.692 -3.554 -5.355) 6.646 4.663 ( -0.218 2.275 -0.176) 2.292 4.723 ( -0.472 12.325 0.926) 12.369 4.793 ( -1.138 5.679 -1.959) 6.114 4.834 ( -2.684 4.808 4.897) 7.369 4.968 ( 5.257 3.859 3.068) 7.207 5.056 ( 0.473 6.087 0.970) 6.182 5.204 ( 1.036 7.870 -4.733) 9.242 5.317 ( 1.640 -3.355 2.976) 4.775 5.343 ( -4.911 4.144 -6.464) 9.114 5.494 ( -0.211 -3.168 0.795) 3.273 5.636 ( -0.232 1.350 5.658) 5.821 5.803 ( 0.006 -4.950 -2.142) 5.394 6.140 ( -0.155 0.337 5.043) 5.056 6.298 ( -0.730 -3.591 1.238) 3.868 6.396 ( -0.337 -1.165 -3.641) 3.838 6.949 ( -0.022 0.267 1.049) 1.083 7.080 ( 0.302 0.034 -1.360) 1.393 7.158 ( -0.093 -2.236 0.877) 2.404 7.625 ( -0.146 1.327 -1.316) 1.875 7.948 ( 0.049 -0.455 0.005) 0.457 7.992 ( -1.724 -0.104 0.342) 1.761 8.156 ( 3.530 0.613 -0.360) 3.601 8.278 ( 0.908 -1.613 0.694) 1.977 8.326 ( -2.231 0.147 -0.630) 2.323 8.576 ( 0.807 0.247 -1.152) 1.428 8.699 ( -0.044 -0.091 0.779) 0.785 8.761 ( 0.696 0.456 -0.728) 1.105 8.795 ( -0.239 -1.237 1.178) 1.725 8.834 ( 0.111 -0.220 -0.488) 0.547 8.983 ( -0.477 -2.749 0.028) 2.790 9.038 ( -0.439 -0.635 -0.018) 0.772 9.217 ( -0.494 -0.459 -0.338) 0.754 9.273 ( 0.689 1.581 0.283) 1.748 9.319 ( -1.042 -1.449 0.224) 1.799 9.408 ( 0.160 -0.256 -0.014) 0.302 9.642 ( 0.009 -0.379 0.006) 0.379 9.814 ( -0.077 -1.148 0.141) 1.159 9.879 ( 0.007 -0.814 0.017) 0.814 10.029 ( -0.127 -4.039 -0.082) 4.042 10.129 ( 0.052 -0.420 -0.141) 0.446 10.198 ( -0.066 0.097 0.069) 0.136 10.506 ( -0.434 -5.163 0.076) 5.182 10.572 ( -0.149 -4.237 0.023) 4.240 11.157 ( 0.002 -1.429 0.066) 1.431 11.791 ( -0.782 -2.988 -0.061) 3.090 11.927 ( 0.819 -1.406 0.118) 1.631 12.098 ( -1.310 -1.237 -0.388) 1.843 12.139 ( 0.199 -0.141 0.153) 0.288 12.164 ( -0.357 -0.260 0.409) 0.602 12.239 ( 0.225 -1.664 0.271) 1.701 12.295 ( -1.110 -2.568 -0.862) 2.927 12.348 ( 1.074 -0.799 0.398) 1.397 12.411 ( 0.203 -1.372 -0.109) 1.391 12.493 ( 0.786 -2.582 -0.210) 2.707 12.530 ( 0.170 -0.185 0.096) 0.269 12.691 ( -1.356 -0.808 0.126) 1.583 12.754 ( 1.736 -3.025 -0.079) 3.489 12.853 ( -0.496 -0.237 0.456) 0.714 12.893 ( 0.905 -0.644 -0.303) 1.151 13.040 ( -1.354 0.322 -0.153) 1.400 13.074 ( -0.192 -0.128 -0.531) 0.579 13.123 ( 0.947 -0.146 -0.066) 0.960 13.210 ( 0.232 -0.605 1.739) 1.856 13.237 ( -0.655 0.040 -1.028) 1.220 13.427 ( -0.642 -1.564 0.764) 1.856 13.430 ( 0.576 -0.000 -0.402) 0.702 13.563 ( 0.142 0.656 -0.214) 0.704 13.627 ( -0.062 -0.303 0.067) 0.317 13.704 ( 1.630 -2.662 -0.103) 3.123 13.988 ( 0.833 1.141 -0.420) 1.474 14.101 ( -1.021 -0.434 0.147) 1.119 14.171 ( -1.822 -0.607 0.359) 1.954 14.227 ( -1.193 0.409 0.468) 1.345 14.372 ( -1.649 1.581 -2.585) 3.450 14.438 ( 2.512 -0.280 2.395) 3.482 14.479 ( 0.243 0.514 0.074) 0.573 14.499 ( 0.074 -0.093 -0.595) 0.607 14.653 ( 0.743 2.272 0.219) 2.400 14.795 ( -0.151 0.287 -0.201) 0.382 ======================= Grid point 105 (48/78) ======================= q-point: (-0.50 -0.50 0.25) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( -6.376 -0.000 10.314) 12.125 2.010 ( -4.695 -0.000 4.209) 6.306 2.335 ( 5.697 0.000 -2.588) 6.258 2.385 ( 7.970 0.000 -5.561) 9.718 2.519 ( -5.196 -0.000 -6.291) 8.160 2.729 ( 5.141 0.000 5.437) 7.482 2.861 ( -6.430 -0.000 -0.943) 6.498 2.899 ( 0.717 0.000 -1.420) 1.590 2.923 ( 6.559 0.000 2.141) 6.899 3.036 ( -4.706 -0.000 -8.501) 9.717 3.046 ( 1.915 0.000 -0.297) 1.938 3.131 ( -0.011 -0.000 8.024) 8.024 3.329 ( 1.047 0.000 -2.341) 2.565 3.404 ( -0.607 -0.000 -1.097) 1.254 3.434 ( -2.382 -0.000 3.963) 4.623 3.528 ( 6.778 0.000 9.090) 11.338 3.591 ( 2.852 0.000 3.291) 4.355 3.627 ( 0.357 0.000 -0.875) 0.946 3.764 ( -2.010 -0.000 5.690) 6.034 3.898 ( 0.485 0.000 -5.322) 5.344 3.959 ( 4.489 0.000 -5.653) 7.219 4.037 ( -0.472 -0.000 0.813) 0.940 4.059 ( -0.794 -0.000 1.906) 2.065 4.236 ( -0.202 -0.000 1.420) 1.434 4.274 ( 2.900 0.000 -0.258) 2.912 4.362 ( 2.140 0.000 -4.104) 4.629 4.380 ( -4.772 -0.000 -6.256) 7.868 4.621 ( -0.954 -0.000 -0.636) 1.146 4.627 ( 6.819 0.000 8.658) 11.021 4.653 ( -0.751 -0.000 -1.104) 1.335 4.830 ( 0.564 0.000 10.590) 10.605 4.872 ( -3.633 -0.000 -2.398) 4.353 4.987 ( -8.197 -0.000 4.792) 9.495 5.026 ( 0.586 0.000 -4.867) 4.902 5.191 ( -0.963 -0.000 -13.206) 13.241 5.331 ( -0.967 -0.000 -3.166) 3.311 5.491 ( -5.105 -0.000 -10.644) 11.805 5.512 ( -4.137 -0.000 -4.333) 5.991 5.745 ( 3.912 0.000 -0.278) 3.922 5.762 ( 1.986 0.000 4.306) 4.742 5.996 ( -4.134 -0.000 4.614) 6.195 6.164 ( -5.219 -0.000 5.568) 7.632 6.431 ( 1.841 0.000 4.802) 5.142 6.546 ( 9.298 0.000 2.574) 9.648 6.669 ( -9.688 -0.000 -14.672) 17.582 7.067 ( 0.215 0.000 -0.864) 0.891 7.243 ( 10.394 0.000 11.089) 15.199 7.753 ( -0.120 -0.000 0.173) 0.210 7.938 ( -0.134 -0.000 0.091) 0.162 8.116 ( 0.975 0.000 0.539) 1.114 8.285 ( -0.289 -0.000 0.108) 0.308 8.293 ( -2.041 -0.000 -0.602) 2.128 8.333 ( 0.459 0.000 0.140) 0.480 8.644 ( 0.846 0.000 -0.717) 1.109 8.660 ( 0.605 0.000 -3.265) 3.321 8.668 ( -0.948 -0.000 0.434) 1.042 8.759 ( -0.018 -0.000 -0.287) 0.288 8.834 ( -0.430 -0.000 3.032) 3.062 8.957 ( 0.088 0.000 0.766) 0.771 9.079 ( -0.116 -0.000 -1.244) 1.250 9.237 ( -0.008 -0.000 0.855) 0.855 9.276 ( -0.615 -0.000 -0.887) 1.080 9.331 ( 1.448 0.000 0.770) 1.640 9.419 ( -1.625 -0.000 -1.517) 2.223 9.632 ( 0.635 0.000 0.655) 0.912 9.859 ( -0.102 -0.000 -0.926) 0.932 9.932 ( 0.159 0.000 1.228) 1.238 10.060 ( -0.252 -0.000 -0.199) 0.321 10.173 ( -0.149 -0.000 -0.724) 0.739 10.231 ( 0.189 0.000 0.306) 0.360 10.630 ( 0.244 0.000 0.357) 0.432 10.711 ( -0.241 -0.000 -0.127) 0.272 11.293 ( 0.068 0.000 0.152) 0.167 11.752 ( -0.306 -0.000 0.160) 0.345 11.865 ( -0.150 -0.000 -0.268) 0.307 12.232 ( -0.369 -0.000 -1.240) 1.294 12.278 ( -0.553 -0.000 -1.284) 1.398 12.292 ( 0.090 0.000 0.509) 0.517 12.349 ( 0.971 0.000 1.612) 1.881 12.381 ( -0.096 -0.000 -0.197) 0.219 12.426 ( -0.517 -0.000 -1.083) 1.200 12.491 ( -0.876 -0.000 -0.228) 0.905 12.522 ( -0.925 -0.000 -0.035) 0.926 12.540 ( 1.246 0.000 0.710) 1.434 12.574 ( 0.320 0.000 0.007) 0.320 12.610 ( 0.363 0.000 0.351) 0.505 12.662 ( 0.038 0.000 -0.266) 0.269 12.931 ( -0.190 -0.000 0.083) 0.208 13.097 ( -0.240 -0.000 -0.213) 0.321 13.127 ( -0.280 -0.000 0.936) 0.977 13.131 ( 0.297 0.000 0.318) 0.435 13.289 ( 0.229 0.000 -1.623) 1.639 13.296 ( -0.003 -0.000 -1.321) 1.321 13.380 ( -0.171 -0.000 2.632) 2.638 13.415 ( 0.634 0.000 0.367) 0.732 13.516 ( -0.327 -0.000 0.755) 0.823 13.561 ( 0.413 0.000 -0.240) 0.478 13.582 ( 0.008 0.000 -1.229) 1.229 13.842 ( 0.686 0.000 0.949) 1.171 13.999 ( -0.984 -0.000 -1.643) 1.915 14.260 ( -0.010 -0.000 -2.310) 2.310 14.325 ( -1.119 -0.000 -3.079) 3.276 14.398 ( -0.606 -0.000 1.027) 1.193 14.494 ( -0.152 -0.000 0.371) 0.401 14.494 ( 3.056 0.000 7.048) 7.682 14.530 ( 2.814 0.000 5.945) 6.577 14.883 ( -2.069 -0.000 -4.753) 5.184 14.991 ( -1.400 -0.000 -2.894) 3.215 ======================= Grid point 106 (49/78) ======================= q-point: (-0.38 -0.50 0.25) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( -9.067 -4.715 9.348) 13.850 2.178 ( -9.311 -21.117 4.711) 23.554 2.324 ( -2.627 -1.200 -10.464) 10.855 2.447 ( -0.154 -2.196 -0.088) 2.203 2.647 ( -2.107 -18.955 -3.097) 19.322 2.769 ( 3.448 1.012 3.925) 5.321 2.867 ( -6.265 -3.369 -1.045) 7.190 2.974 ( 5.189 -0.660 1.483) 5.437 2.983 ( -5.180 -5.811 -2.994) 8.340 3.011 ( -3.511 -9.796 -1.527) 10.517 3.212 ( -1.269 -16.614 -2.317) 16.823 3.279 ( 2.268 -10.509 5.442) 12.050 3.404 ( -2.074 -6.205 -1.149) 6.642 3.428 ( -2.519 -5.805 0.902) 6.392 3.483 ( -1.752 -8.591 -0.945) 8.819 3.586 ( 0.480 1.740 6.607) 6.849 3.627 ( -2.000 -2.842 2.530) 4.299 3.735 ( 2.378 -8.474 0.274) 8.806 3.744 ( 3.551 2.303 5.786) 7.169 3.863 ( -1.866 -0.657 -7.637) 7.889 3.948 ( -1.846 2.921 1.186) 3.653 3.975 ( -4.808 0.496 1.087) 4.954 4.058 ( -4.504 -3.443 2.258) 6.103 4.180 ( -5.108 5.344 -1.547) 7.553 4.266 ( -2.226 -1.262 -0.383) 2.587 4.349 ( -6.762 -3.466 -8.885) 11.692 4.379 ( -3.134 -4.158 -4.351) 6.786 4.592 ( -2.487 -0.118 2.874) 3.803 4.631 ( -0.986 0.674 1.073) 1.606 4.690 ( -3.949 0.390 4.153) 5.744 4.785 ( -6.684 -1.035 -7.729) 10.271 4.866 ( -1.463 0.633 4.212) 4.504 4.935 ( -4.870 -2.193 11.386) 12.576 4.995 ( -4.678 -1.069 -2.274) 5.310 5.173 ( 1.989 0.085 -5.285) 5.648 5.285 ( -4.777 -0.207 -7.813) 9.160 5.435 ( -6.964 1.344 2.017) 7.374 5.457 ( 3.049 -0.160 -7.566) 8.159 5.725 ( -1.517 3.156 -3.202) 4.745 5.795 ( 3.104 0.613 1.448) 3.480 5.915 ( -2.488 6.762 7.541) 10.430 6.146 ( -1.826 0.567 8.429) 8.643 6.398 ( -0.958 3.689 -1.819) 4.223 6.530 ( -1.508 3.125 -8.659) 9.329 6.691 ( 5.510 -3.707 2.377) 7.054 7.061 ( -0.930 -0.107 -0.892) 1.293 7.327 ( 4.398 1.881 3.577) 5.972 7.734 ( -1.101 1.252 0.510) 1.743 7.941 ( 0.474 -0.008 0.099) 0.484 8.110 ( -0.288 1.601 -0.235) 1.643 8.251 ( -0.006 2.035 0.526) 2.102 8.278 ( -0.319 0.748 -0.205) 0.839 8.340 ( 0.198 0.153 0.562) 0.615 8.645 ( 1.430 1.300 -2.205) 2.932 8.653 ( 0.282 -0.684 -0.551) 0.923 8.685 ( 0.809 -1.191 -0.090) 1.443 8.759 ( 0.259 -0.064 -0.391) 0.473 8.830 ( -0.805 0.666 2.529) 2.736 8.966 ( 1.676 0.390 0.732) 1.870 9.073 ( 0.321 0.325 -1.136) 1.224 9.235 ( -0.955 0.359 0.468) 1.122 9.259 ( -0.791 0.065 -0.228) 0.826 9.340 ( 1.292 1.013 -0.118) 1.646 9.403 ( 0.221 0.312 -0.597) 0.709 9.643 ( 1.328 0.290 0.330) 1.399 9.852 ( 0.898 1.023 -0.703) 1.532 9.927 ( 0.717 1.445 0.855) 1.826 10.065 ( 3.758 1.510 -0.013) 4.051 10.159 ( 0.456 1.508 -0.447) 1.637 10.228 ( 0.066 0.529 0.203) 0.571 10.626 ( 3.212 2.799 0.178) 4.264 10.689 ( 5.118 5.138 0.020) 7.252 11.268 ( 1.123 3.242 0.096) 3.432 11.784 ( 1.530 -2.213 0.291) 2.706 11.853 ( 2.750 2.395 -0.176) 3.651 12.223 ( -0.007 1.715 -0.616) 1.823 12.259 ( 1.722 2.335 -0.657) 2.975 12.285 ( 1.221 1.060 -0.214) 1.632 12.330 ( 0.878 3.285 1.500) 3.716 12.371 ( 1.516 1.012 -0.020) 1.823 12.400 ( 0.461 2.820 -1.376) 3.172 12.458 ( -0.035 2.077 0.174) 2.085 12.520 ( 1.666 3.457 -0.210) 3.843 12.567 ( 2.778 -1.026 0.033) 2.961 12.582 ( 1.431 -0.485 0.293) 1.539 12.613 ( 0.939 -0.198 0.195) 0.980 12.698 ( 1.037 -3.116 -0.001) 3.284 12.927 ( 0.193 0.501 0.041) 0.538 13.088 ( 0.012 0.852 -0.195) 0.874 13.124 ( -0.530 0.268 0.778) 0.979 13.132 ( 0.362 0.351 0.289) 0.581 13.256 ( 0.909 3.049 -0.943) 3.319 13.286 ( -0.590 0.348 -1.379) 1.540 13.382 ( 0.105 0.431 2.340) 2.382 13.473 ( 2.773 -3.699 0.190) 4.627 13.525 ( -0.249 -1.146 0.941) 1.503 13.557 ( 0.157 2.116 -1.214) 2.444 13.579 ( 0.120 -1.246 -0.662) 1.416 13.881 ( 0.257 -3.211 0.642) 3.285 14.003 ( -0.549 -1.881 -1.155) 2.275 14.242 ( -1.976 0.308 -1.765) 2.667 14.288 ( -1.111 1.919 -1.723) 2.808 14.400 ( 1.509 0.663 1.112) 1.989 14.491 ( 0.417 0.609 0.330) 0.808 14.532 ( 1.445 0.784 5.830) 6.058 14.549 ( 1.613 2.082 4.661) 5.354 14.824 ( -3.560 1.649 -4.712) 6.132 14.943 ( -1.752 2.502 -2.681) 4.064 ======================= Grid point 107 (50/78) ======================= q-point: (-0.25 -0.50 0.25) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( -11.391 -12.391 6.470) 18.032 2.285 ( -4.378 -3.204 -4.020) 6.752 2.359 ( -9.714 -6.360 -2.067) 11.793 2.567 ( -3.755 -10.479 -0.793) 11.160 2.748 ( -1.315 0.688 -4.255) 4.507 2.799 ( -0.410 3.351 -0.366) 3.396 2.933 ( -0.779 -5.881 4.573) 7.490 3.011 ( -11.035 -6.921 -4.979) 13.945 3.096 ( -3.752 -13.411 3.935) 14.472 3.148 ( -6.027 -9.741 -1.155) 11.513 3.292 ( -9.532 4.999 -4.994) 11.866 3.419 ( -3.955 -0.717 3.357) 5.237 3.476 ( -2.607 -4.102 3.172) 5.804 3.533 ( -0.071 -3.840 0.043) 3.841 3.576 ( 0.475 -3.138 0.944) 3.311 3.697 ( -0.448 -8.682 -3.177) 9.256 3.734 ( 0.690 -14.595 1.041) 14.649 3.771 ( -1.986 -2.230 0.832) 3.100 3.838 ( 0.112 -3.791 1.253) 3.995 3.899 ( -2.412 -12.486 2.016) 12.875 3.990 ( -2.173 -13.575 -4.747) 14.544 4.059 ( -7.421 -5.396 2.217) 9.439 4.090 ( -0.921 -11.713 4.095) 12.443 4.105 ( -4.144 -2.683 1.027) 5.042 4.255 ( -3.181 -3.424 -3.818) 6.034 4.308 ( -5.863 -3.580 -4.980) 8.485 4.412 ( -5.317 -7.180 -5.148) 10.311 4.541 ( -10.689 -1.811 -7.384) 13.118 4.561 ( -6.415 2.212 -3.281) 7.538 4.692 ( 7.246 1.857 13.057) 15.048 4.758 ( -8.653 -4.045 -3.225) 10.082 4.839 ( 1.672 1.315 0.732) 2.250 4.907 ( -9.071 -1.308 -1.914) 9.363 5.085 ( 2.835 -4.317 16.826) 17.601 5.173 ( 0.552 1.118 -0.708) 1.434 5.203 ( -6.479 -1.664 -8.033) 10.453 5.358 ( -7.093 0.843 6.255) 9.494 5.496 ( 7.328 0.598 -3.297) 8.058 5.594 ( -3.711 6.505 -6.787) 10.107 5.766 ( 1.846 7.687 7.365) 10.805 5.824 ( 2.428 4.058 3.275) 5.752 6.155 ( -0.218 0.622 9.262) 9.285 6.316 ( 1.353 4.592 -0.556) 4.820 6.445 ( -0.378 2.973 -7.541) 8.115 6.787 ( -0.702 -4.369 -3.541) 5.668 7.061 ( 0.227 -0.909 0.553) 1.088 7.290 ( -1.161 3.832 -3.539) 5.344 7.695 ( -1.343 1.942 0.025) 2.362 7.946 ( 0.726 0.198 0.240) 0.790 8.055 ( -1.615 2.874 -0.509) 3.336 8.222 ( 1.589 2.086 -1.304) 2.929 8.273 ( 1.144 0.872 1.680) 2.212 8.335 ( -0.026 0.575 0.991) 1.146 8.624 ( 1.376 1.976 -1.591) 2.886 8.672 ( 0.283 -1.139 0.110) 1.179 8.719 ( 0.991 -1.568 0.659) 1.968 8.766 ( 0.672 -0.458 -0.612) 1.018 8.819 ( -0.487 0.301 1.245) 1.371 8.977 ( 2.585 1.087 0.591) 2.866 9.065 ( 0.624 0.948 -0.601) 1.285 9.214 ( -0.504 0.610 0.150) 0.806 9.262 ( -1.535 -1.346 -0.148) 2.047 9.326 ( 1.159 1.607 -0.481) 2.039 9.405 ( 0.966 0.316 0.436) 1.106 9.647 ( 0.965 0.568 -0.077) 1.123 9.839 ( 1.431 1.610 -0.270) 2.171 9.905 ( 0.848 2.023 0.318) 2.217 10.073 ( 6.110 3.722 0.167) 7.157 10.133 ( -0.099 1.149 -0.047) 1.154 10.216 ( -0.075 0.779 0.081) 0.787 10.592 ( 4.633 5.714 -0.082) 7.357 10.642 ( 6.749 6.897 0.246) 9.653 11.217 ( 1.640 3.952 0.070) 4.279 11.806 ( 2.168 2.201 0.108) 3.091 11.877 ( 4.242 -1.099 0.459) 4.406 12.170 ( -0.555 3.247 -0.404) 3.319 12.209 ( 1.279 4.008 0.401) 4.226 12.265 ( -0.275 4.700 1.006) 4.814 12.292 ( 2.377 2.581 -1.110) 3.680 12.352 ( 2.133 2.620 -1.571) 3.726 12.373 ( 3.301 1.527 0.629) 3.691 12.427 ( 1.227 3.816 1.195) 4.183 12.467 ( 2.271 2.156 -0.816) 3.236 12.566 ( 1.530 1.942 0.200) 2.480 12.640 ( 0.184 -2.005 0.166) 2.021 12.658 ( 4.422 -2.526 0.024) 5.093 12.770 ( 1.102 -3.433 0.060) 3.606 12.918 ( 0.502 0.946 -0.079) 1.074 13.069 ( -0.257 1.115 -0.013) 1.145 13.108 ( -0.581 1.102 -0.083) 1.248 13.129 ( 0.388 0.424 0.023) 0.575 13.216 ( 1.151 2.085 0.692) 2.480 13.267 ( -0.536 0.762 -1.549) 1.807 13.386 ( 0.200 -0.061 1.732) 1.745 13.506 ( 0.518 3.098 -1.252) 3.381 13.548 ( 0.107 -1.370 1.184) 1.814 13.582 ( 3.572 -3.934 -0.409) 5.330 13.598 ( -0.196 -1.410 -0.956) 1.715 13.945 ( -0.440 -3.722 0.009) 3.748 14.041 ( 0.132 -2.576 -0.040) 2.580 14.198 ( -2.301 1.571 -0.999) 2.960 14.242 ( -1.322 1.254 -0.293) 1.846 14.411 ( 2.295 0.858 1.197) 2.727 14.482 ( 0.220 1.166 0.172) 1.199 14.519 ( 0.276 2.461 0.604) 2.549 14.532 ( -1.100 1.431 1.649) 2.445 14.743 ( -2.821 2.292 -1.277) 3.853 14.869 ( -0.795 3.422 -0.647) 3.572 ======================= Grid point 108 (51/78) ======================= q-point: (-0.12 -0.50 0.25) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( -9.341 -16.610 0.693) 19.069 2.277 ( -8.194 -3.361 -2.967) 9.340 2.359 ( -6.653 -6.362 -2.108) 9.443 2.516 ( -4.345 7.832 -4.583) 10.061 2.682 ( -1.271 1.301 -9.015) 9.197 2.833 ( 5.493 -0.463 7.845) 9.588 2.936 ( -1.518 5.470 6.941) 8.967 2.981 ( -13.050 -5.186 -8.675) 16.506 3.043 ( -5.869 5.553 -4.179) 9.097 3.114 ( -7.111 1.577 -1.506) 7.438 3.270 ( -4.287 4.390 4.815) 7.800 3.283 ( -2.420 2.435 3.949) 5.233 3.512 ( -0.512 1.940 -3.633) 4.150 3.549 ( -1.273 -3.250 1.310) 3.728 3.600 ( 0.023 -3.759 3.734) 5.299 3.786 ( -2.809 -6.983 -0.647) 7.554 3.846 ( 0.182 -3.136 2.346) 3.921 3.940 ( -2.670 -5.478 0.743) 6.139 4.033 ( -4.382 -12.232 -6.073) 14.343 4.100 ( -3.644 -4.437 -1.024) 5.832 4.129 ( -3.454 -12.180 -3.152) 13.047 4.189 ( -0.892 -12.986 2.024) 13.173 4.206 ( 0.522 -13.272 4.199) 13.930 4.288 ( -1.849 -5.804 -4.438) 7.536 4.309 ( -1.112 -5.427 -2.606) 6.122 4.385 ( -2.048 -11.930 -2.936) 12.455 4.419 ( -4.488 0.236 -5.397) 7.023 4.494 ( -4.803 -6.473 -3.079) 8.628 4.568 ( 2.871 -6.793 -0.691) 7.407 4.737 ( -6.073 -4.323 0.784) 7.496 4.741 ( -2.961 2.731 2.522) 4.753 4.804 ( -1.365 2.100 -0.614) 2.579 4.862 ( 2.463 2.132 7.607) 8.275 5.101 ( -2.782 0.885 0.536) 2.969 5.136 ( -0.409 3.370 4.601) 5.718 5.270 ( -1.964 0.259 2.541) 3.222 5.335 ( -1.566 -2.153 5.926) 6.497 5.390 ( 0.451 6.675 -3.571) 7.583 5.562 ( 9.554 3.142 8.279) 13.026 5.708 ( 2.285 4.272 9.309) 10.494 5.783 ( 2.260 3.274 -2.320) 4.606 6.165 ( -2.298 0.250 7.032) 7.402 6.278 ( 1.785 1.916 -0.179) 2.624 6.378 ( 0.370 1.436 -6.067) 6.246 6.825 ( -4.991 -6.300 -7.304) 10.860 7.074 ( -1.269 1.562 -4.195) 4.653 7.190 ( -1.106 2.010 -1.961) 3.018 7.642 ( -1.434 2.117 -1.796) 3.125 7.950 ( 0.601 0.181 0.315) 0.702 7.997 ( -0.897 1.941 0.434) 2.182 8.203 ( 2.214 1.684 -2.440) 3.700 8.267 ( -1.633 -0.046 0.971) 1.901 8.322 ( 0.425 1.554 -0.288) 1.636 8.609 ( 2.336 1.233 0.915) 2.795 8.694 ( 0.076 -0.760 1.140) 1.372 8.757 ( 0.386 -1.370 0.502) 1.509 8.783 ( 0.810 -0.630 -0.042) 1.027 8.820 ( -0.370 -0.740 -0.614) 1.031 8.983 ( 2.349 1.299 0.664) 2.765 9.047 ( 0.394 1.514 -0.153) 1.572 9.212 ( 0.465 -0.070 0.338) 0.579 9.271 ( -1.972 -1.942 -0.591) 2.830 9.308 ( 0.973 1.551 -0.095) 1.833 9.410 ( 0.475 0.144 0.396) 0.635 9.644 ( 0.428 0.426 -0.115) 0.614 9.823 ( 1.004 1.491 0.099) 1.800 9.884 ( 0.629 1.022 0.076) 1.202 10.051 ( 4.115 4.288 0.226) 5.948 10.127 ( 0.177 -0.142 0.038) 0.230 10.203 ( -0.157 0.588 -0.038) 0.610 10.532 ( 3.911 5.421 0.074) 6.685 10.593 ( 3.930 4.686 0.090) 6.117 11.174 ( 1.283 2.526 0.174) 2.839 11.789 ( 2.038 1.925 0.082) 2.804 11.931 ( 2.777 -0.313 1.067) 2.991 12.112 ( 0.146 2.911 -0.396) 2.941 12.161 ( 0.517 2.479 0.189) 2.540 12.183 ( -0.520 3.221 0.144) 3.266 12.262 ( 0.806 2.106 -0.499) 2.310 12.302 ( 2.185 3.972 -0.574) 4.569 12.369 ( 0.523 2.458 -0.038) 2.513 12.410 ( 2.793 -0.255 0.716) 2.895 12.481 ( 1.829 -0.326 0.004) 1.858 12.550 ( 1.165 1.479 0.432) 1.931 12.668 ( -0.024 -1.029 0.432) 1.116 12.740 ( 3.702 -1.726 -0.040) 4.085 12.829 ( 0.498 -2.236 0.191) 2.299 12.905 ( 0.440 0.965 -0.393) 1.131 13.043 ( -0.702 1.200 0.329) 1.429 13.080 ( -0.128 1.164 -0.748) 1.390 13.127 ( 0.134 0.030 -0.242) 0.278 13.215 ( 0.704 0.235 1.624) 1.785 13.238 ( -0.501 1.032 -1.654) 2.013 13.401 ( 0.074 -0.940 1.013) 1.384 13.460 ( 0.742 2.381 -0.782) 2.614 13.566 ( -0.170 -0.357 0.129) 0.416 13.609 ( -0.430 -1.214 -0.850) 1.543 13.682 ( 3.320 -2.680 -0.121) 4.268 13.989 ( -0.290 -1.716 -0.149) 1.747 14.080 ( -0.022 -1.492 0.283) 1.519 14.155 ( -1.279 0.729 0.365) 1.516 14.219 ( -0.850 0.199 0.731) 1.139 14.392 ( -1.076 3.087 -2.697) 4.238 14.452 ( -1.212 0.610 -0.750) 1.550 14.483 ( -1.960 1.064 -2.850) 3.619 14.500 ( 0.709 0.503 -0.327) 0.929 14.698 ( -0.005 1.433 3.027) 3.349 14.824 ( 1.070 1.967 2.312) 3.218 ======================= Grid point 114 (52/78) ======================= q-point: (-0.38 -0.38 0.25) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( -13.902 -0.000 13.089) 19.094 1.801 ( -18.365 -0.000 4.679) 18.952 2.248 ( -4.912 -0.000 -8.723) 10.011 2.383 ( -3.846 -0.000 -11.456) 12.084 2.449 ( -3.586 -0.000 0.797) 3.674 2.692 ( -11.144 -0.000 7.447) 13.403 2.807 ( -3.007 -0.000 -2.153) 3.698 2.880 ( -2.180 -0.000 0.690) 2.287 2.908 ( 0.142 0.000 0.687) 0.701 3.018 ( -2.502 -0.000 -1.879) 3.128 3.021 ( 1.453 0.000 -7.301) 7.445 3.195 ( 0.489 0.000 5.223) 5.246 3.316 ( -0.956 -0.000 -3.068) 3.213 3.351 ( -5.284 -0.000 -0.856) 5.353 3.357 ( -7.552 -0.000 3.615) 8.372 3.536 ( -14.497 -0.000 -5.420) 15.477 3.609 ( -4.018 -0.000 7.808) 8.781 3.640 ( 1.109 0.000 -0.603) 1.262 3.781 ( -11.429 -0.000 -3.927) 12.085 3.833 ( 3.810 0.000 11.745) 12.347 3.908 ( -6.751 -0.000 -1.047) 6.831 3.962 ( -0.500 -0.000 -11.326) 11.337 4.001 ( -2.886 -0.000 0.848) 3.008 4.142 ( -10.394 -0.000 -6.196) 12.101 4.205 ( -6.425 -0.000 -2.891) 7.046 4.220 ( -9.153 -0.000 3.581) 9.829 4.272 ( -6.837 -0.000 -5.179) 8.577 4.492 ( -13.414 -0.000 -4.410) 14.120 4.614 ( -6.902 -0.000 -5.622) 8.902 4.666 ( -7.918 -0.000 -0.861) 7.965 4.702 ( 3.536 0.000 13.000) 13.472 4.853 ( -11.025 -0.000 -3.347) 11.522 4.921 ( -1.442 -0.000 13.940) 14.014 4.993 ( 7.278 0.000 11.887) 13.938 5.179 ( 0.341 0.000 0.202) 0.396 5.186 ( -7.909 -0.000 -11.517) 13.971 5.361 ( -10.911 -0.000 5.248) 12.108 5.487 ( 7.869 0.000 -7.830) 11.101 5.725 ( -3.058 -0.000 -3.570) 4.701 5.833 ( 3.034 0.000 1.256) 3.283 5.991 ( 0.155 0.000 9.168) 9.170 6.172 ( -0.367 -0.000 10.026) 10.033 6.403 ( -2.006 -0.000 -3.939) 4.420 6.556 ( 2.161 0.000 -1.072) 2.413 6.682 ( 1.071 0.000 -5.054) 5.166 7.038 ( -2.180 -0.000 -1.438) 2.612 7.356 ( -1.593 -0.000 -4.593) 4.862 7.730 ( -1.860 -0.000 0.558) 1.942 7.950 ( 1.021 0.000 0.234) 1.048 8.118 ( -1.090 -0.000 -1.196) 1.618 8.246 ( -2.920 -0.000 0.086) 2.922 8.298 ( 2.262 0.000 2.354) 3.264 8.358 ( 2.160 0.000 -0.146) 2.165 8.650 ( 0.445 0.000 0.065) 0.450 8.678 ( 1.370 0.000 -0.007) 1.370 8.680 ( 2.430 0.000 -2.091) 3.206 8.761 ( 0.424 0.000 -0.202) 0.470 8.833 ( -1.085 -0.000 2.220) 2.471 8.996 ( 2.900 0.000 0.777) 3.002 9.077 ( 0.689 0.000 -1.112) 1.308 9.226 ( -1.663 -0.000 0.416) 1.714 9.253 ( -0.613 -0.000 -0.358) 0.710 9.357 ( 1.055 0.000 -0.864) 1.364 9.422 ( 1.893 0.000 0.913) 2.101 9.661 ( 1.550 0.000 -0.177) 1.560 9.874 ( 2.026 0.000 -0.452) 2.075 9.955 ( 1.516 0.000 0.598) 1.629 10.111 ( 2.569 0.000 0.010) 2.569 10.204 ( 5.109 0.000 0.357) 5.121 10.235 ( 0.759 0.000 -0.193) 0.783 10.708 ( 7.379 0.000 -0.059) 7.380 10.811 ( 9.105 0.000 0.198) 9.108 11.316 ( 2.139 0.000 -0.034) 2.139 11.794 ( 4.144 0.000 0.766) 4.214 11.915 ( 5.047 0.000 0.004) 5.047 12.265 ( 0.331 0.000 -0.426) 0.539 12.267 ( 3.243 0.000 -0.563) 3.292 12.329 ( 2.032 0.000 0.239) 2.046 12.378 ( 1.235 0.000 -0.040) 1.236 12.394 ( 3.280 0.000 0.345) 3.298 12.438 ( 2.002 0.000 -0.361) 2.034 12.486 ( 0.961 0.000 0.581) 1.123 12.544 ( 1.179 0.000 0.720) 1.382 12.593 ( 4.956 0.000 -0.727) 5.009 12.620 ( 2.594 0.000 0.321) 2.614 12.644 ( 3.816 0.000 -0.599) 3.863 12.684 ( 2.399 0.000 -0.192) 2.406 12.935 ( 0.456 0.000 0.202) 0.499 13.100 ( 0.628 0.000 0.084) 0.633 13.120 ( -0.993 -0.000 1.057) 1.450 13.140 ( 0.483 0.000 -0.077) 0.489 13.272 ( -1.284 -0.000 -1.034) 1.649 13.301 ( 1.815 0.000 -1.234) 2.195 13.395 ( 0.172 0.000 1.971) 1.979 13.471 ( 4.305 0.000 -0.428) 4.326 13.513 ( -0.139 -0.000 1.026) 1.035 13.560 ( -0.438 -0.000 -0.779) 0.894 13.579 ( 0.447 0.000 -1.024) 1.117 13.852 ( -0.272 -0.000 -0.204) 0.340 13.982 ( 0.348 0.000 -0.037) 0.350 14.215 ( -2.798 -0.000 -1.157) 3.027 14.291 ( -1.057 -0.000 -0.741) 1.291 14.430 ( 2.380 0.000 0.823) 2.518 14.504 ( 0.847 0.000 0.132) 0.857 14.554 ( -1.625 -0.000 2.892) 3.317 14.584 ( -0.406 -0.000 1.390) 1.448 14.787 ( -3.851 -0.000 -2.128) 4.400 14.945 ( -1.211 -0.000 -0.668) 1.383 ======================= Grid point 115 (53/78) ======================= q-point: (-0.25 -0.38 0.25) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( -21.174 -6.247 8.123) 23.524 1.910 ( -21.651 -22.642 3.805) 31.558 2.201 ( -2.658 -1.935 -2.334) 4.032 2.380 ( -5.868 -4.835 -6.498) 10.002 2.485 ( -9.749 -17.716 -8.547) 21.953 2.723 ( -6.141 -2.755 -0.637) 6.761 2.729 ( -14.513 -8.802 0.827) 16.993 2.897 ( -0.562 -1.102 3.790) 3.987 2.952 ( -2.399 -3.140 -2.088) 4.469 3.022 ( 0.062 -1.973 0.090) 1.976 3.140 ( -5.085 -14.875 -2.280) 15.884 3.175 ( -20.008 -2.749 0.068) 20.196 3.311 ( -5.155 -11.110 1.107) 12.298 3.392 ( -0.478 -9.353 -0.503) 9.379 3.418 ( -5.073 -8.086 -1.573) 9.674 3.467 ( -5.558 -13.483 -3.198) 14.930 3.599 ( -4.002 -2.028 8.253) 9.393 3.677 ( -11.713 -2.920 -1.509) 12.165 3.736 ( -1.605 -0.846 -5.734) 6.014 3.792 ( -1.622 -3.567 -5.428) 6.695 3.864 ( -4.883 2.807 -1.094) 5.738 3.890 ( -4.484 -1.047 4.377) 6.353 3.994 ( -4.288 -1.505 2.743) 5.308 4.059 ( -7.614 -2.473 -5.624) 9.784 4.079 ( -5.991 -0.529 0.289) 6.022 4.191 ( -5.896 -4.057 1.089) 7.240 4.227 ( -7.192 -4.121 -4.457) 9.412 4.342 ( -15.166 -1.547 -4.243) 15.824 4.532 ( -11.769 1.147 -7.225) 13.857 4.572 ( -7.149 -3.662 -1.488) 8.169 4.746 ( -11.737 -2.036 -0.854) 11.943 4.802 ( 4.983 -0.249 7.828) 9.283 4.962 ( 6.456 2.406 16.049) 17.465 5.064 ( -10.277 -0.754 -7.677) 12.849 5.127 ( 5.789 -2.380 7.361) 9.663 5.190 ( 0.548 0.379 8.228) 8.255 5.282 ( -8.713 -0.921 7.265) 11.382 5.559 ( 9.118 -0.658 -5.254) 10.544 5.639 ( -3.631 4.312 -4.013) 6.920 5.862 ( 2.223 0.205 -0.237) 2.245 5.980 ( 1.981 5.682 10.778) 12.345 6.185 ( -2.388 0.712 7.801) 8.189 6.357 ( -1.584 1.038 -4.645) 5.016 6.532 ( 3.690 5.560 1.502) 6.840 6.689 ( -2.386 -2.717 -6.969) 7.851 7.030 ( -1.142 -1.951 -0.126) 2.264 7.279 ( -5.299 1.621 -10.826) 12.161 7.703 ( -1.964 0.990 0.021) 2.199 7.959 ( 0.865 0.147 0.046) 0.879 8.083 ( -1.211 1.927 -0.788) 2.409 8.222 ( -2.262 -0.337 -0.395) 2.321 8.313 ( 1.352 1.337 1.038) 2.166 8.377 ( 3.097 1.169 0.899) 3.431 8.663 ( 0.981 -0.446 0.905) 1.408 8.669 ( 1.324 1.568 -1.554) 2.574 8.713 ( 1.414 -1.021 0.106) 1.747 8.767 ( 0.644 -0.138 -0.247) 0.703 8.825 ( -0.483 0.522 1.138) 1.342 9.025 ( 3.200 0.493 0.442) 3.268 9.082 ( 1.157 0.237 -0.690) 1.368 9.212 ( -1.319 -0.249 -0.013) 1.342 9.243 ( -0.210 0.525 0.155) 0.586 9.360 ( 1.457 0.858 -0.506) 1.765 9.433 ( 1.299 0.929 1.006) 1.887 9.668 ( 1.057 0.606 -0.462) 1.303 9.887 ( 2.789 1.318 0.067) 3.085 9.955 ( 1.688 1.949 0.006) 2.579 10.124 ( 0.444 0.011 0.112) 0.458 10.222 ( 0.733 0.860 0.219) 1.152 10.256 ( 8.435 4.070 0.222) 9.368 10.754 ( 9.126 4.582 -0.233) 10.215 10.856 ( 10.127 6.263 0.315) 11.912 11.308 ( 2.667 3.479 -0.099) 4.385 11.855 ( 4.864 -0.479 0.962) 4.981 11.951 ( 6.393 2.270 0.265) 6.789 12.223 ( 0.179 3.403 -0.286) 3.420 12.300 ( 1.149 3.246 -0.179) 3.448 12.314 ( 1.427 0.529 0.933) 1.785 12.379 ( 4.128 3.645 -1.305) 5.659 12.419 ( 3.301 2.732 -0.605) 4.328 12.442 ( 3.775 1.438 1.240) 4.225 12.477 ( 2.180 1.454 0.258) 2.633 12.574 ( 2.285 0.506 1.540) 2.801 12.621 ( 2.732 2.249 0.328) 3.554 12.640 ( 3.166 2.942 -1.700) 4.644 12.674 ( 6.233 -1.735 -0.175) 6.473 12.737 ( 3.032 -2.208 -0.224) 3.757 12.936 ( 0.499 0.557 0.189) 0.772 13.094 ( 0.491 1.411 0.326) 1.529 13.113 ( -0.741 0.191 0.939) 1.212 13.139 ( 0.258 0.497 -0.312) 0.641 13.257 ( -1.042 0.119 -0.807) 1.323 13.286 ( 2.212 2.869 -1.069) 3.777 13.398 ( 0.233 0.419 1.563) 1.635 13.524 ( -0.075 -1.612 0.941) 1.868 13.555 ( 2.585 0.231 -0.940) 2.760 13.557 ( 0.954 -1.330 -1.241) 2.054 13.570 ( 1.492 -1.133 -0.387) 1.913 13.875 ( -0.626 -3.118 -0.768) 3.272 14.008 ( 0.971 -1.794 0.893) 2.227 14.182 ( -2.686 0.265 -0.547) 2.754 14.266 ( -0.539 1.676 0.628) 1.869 14.450 ( 1.650 0.481 0.426) 1.771 14.502 ( -0.486 1.065 -0.721) 1.375 14.516 ( -3.676 0.694 -2.641) 4.580 14.553 ( -1.675 1.788 -1.796) 3.037 14.745 ( -2.652 0.985 2.734) 3.935 14.919 ( -0.106 2.257 1.769) 2.869 ======================= Grid point 116 (54/78) ======================= q-point: (-0.12 -0.38 0.25) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( -17.742 -17.975 4.281) 25.617 1.925 ( -27.220 -11.222 -8.714) 30.705 2.254 ( -0.323 -4.704 3.360) 5.790 2.496 ( -2.937 -9.157 -2.760) 10.005 2.623 ( -4.859 -3.913 -8.097) 10.222 2.680 ( -11.659 -7.881 -3.359) 14.468 2.806 ( -6.722 -10.529 2.249) 12.693 2.938 ( -7.062 -5.030 1.043) 8.732 2.997 ( -9.791 -8.132 -2.352) 12.943 3.030 ( -2.305 -7.768 0.935) 8.157 3.077 ( -3.319 -0.963 4.337) 5.546 3.311 ( -6.824 -1.727 2.849) 7.594 3.440 ( -4.219 -7.613 -2.218) 8.982 3.480 ( -2.771 -4.868 -2.225) 6.027 3.570 ( -6.541 -1.938 2.328) 7.208 3.597 ( -0.405 -6.985 1.489) 7.154 3.698 ( -5.753 -14.245 3.931) 15.858 3.752 ( -5.290 -11.116 1.631) 12.418 3.772 ( -8.806 -2.960 -6.729) 11.471 3.798 ( -2.319 -19.680 1.752) 19.894 3.829 ( -2.347 -14.797 -5.544) 15.974 3.960 ( -4.018 -4.752 -6.389) 8.919 4.056 ( -5.226 -9.037 -0.174) 10.441 4.093 ( 0.930 -5.567 5.363) 7.786 4.156 ( -4.759 -11.659 -2.343) 12.809 4.212 ( -2.887 -5.827 -3.871) 7.568 4.270 ( -6.925 -8.384 1.715) 11.008 4.281 ( -6.772 -7.900 -1.131) 10.467 4.414 ( -8.122 -4.434 -6.390) 11.245 4.552 ( -6.815 -3.172 -1.889) 7.750 4.671 ( -10.105 -1.983 -1.321) 10.382 4.838 ( -0.052 1.666 2.250) 2.800 4.977 ( -7.568 -4.002 -3.889) 9.403 5.043 ( 7.010 2.718 9.205) 11.885 5.136 ( -7.201 -0.331 0.719) 7.244 5.262 ( 1.725 -1.380 7.349) 7.674 5.341 ( 6.740 -2.424 20.279) 21.507 5.493 ( -2.755 6.737 -4.516) 8.565 5.648 ( 7.468 -0.822 -2.137) 7.811 5.847 ( -1.439 2.562 -3.413) 4.504 5.926 ( 5.331 6.865 10.620) 13.724 6.140 ( -5.955 0.771 1.373) 6.160 6.327 ( 0.265 0.492 -1.294) 1.409 6.470 ( 4.546 6.913 3.999) 9.190 6.676 ( -3.811 -2.208 -6.040) 7.475 7.069 ( -0.158 -0.610 -1.165) 1.325 7.152 ( -5.282 0.375 -10.415) 11.684 7.658 ( -1.622 1.881 -1.133) 2.730 7.963 ( 0.712 0.308 -0.059) 0.778 8.034 ( -0.362 2.491 0.273) 2.532 8.210 ( -1.762 -0.611 -0.479) 1.925 8.285 ( 0.538 2.900 -1.001) 3.115 8.373 ( 1.588 2.308 0.474) 2.841 8.651 ( 1.253 1.062 -0.556) 1.734 8.689 ( 1.124 -0.790 1.536) 2.061 8.742 ( 0.631 -0.954 0.558) 1.273 8.780 ( 0.912 -0.758 -0.184) 1.200 8.812 ( -0.274 0.689 -0.231) 0.777 9.042 ( 2.971 1.381 0.243) 3.285 9.082 ( 1.314 1.210 -0.298) 1.811 9.212 ( -0.838 -1.017 -0.435) 1.388 9.236 ( 0.368 0.356 0.759) 0.916 9.349 ( 1.113 1.779 -0.303) 2.121 9.428 ( 0.604 0.961 0.684) 1.326 9.661 ( 0.558 0.872 -0.380) 1.102 9.881 ( 2.596 2.716 0.438) 3.782 9.926 ( 1.133 2.586 -0.269) 2.836 10.125 ( -0.314 -0.003 0.183) 0.363 10.210 ( 0.844 1.490 -0.034) 1.713 10.235 ( 7.037 7.267 0.185) 10.117 10.723 ( 7.840 8.606 -0.101) 11.642 10.798 ( 7.894 10.483 0.182) 13.124 11.260 ( 2.422 4.702 0.037) 5.289 11.879 ( 4.630 3.510 0.382) 5.822 11.980 ( 4.847 1.314 1.048) 5.130 12.162 ( -0.167 3.105 -0.818) 3.215 12.238 ( 1.074 4.683 0.194) 4.809 12.279 ( 1.211 6.361 1.086) 6.566 12.324 ( 1.807 3.204 -0.922) 3.792 12.391 ( 2.336 3.622 -0.794) 4.383 12.453 ( 3.173 1.495 0.042) 3.508 12.487 ( 3.733 5.299 1.132) 6.580 12.526 ( 3.876 4.342 0.536) 5.845 12.602 ( 1.572 2.619 0.218) 3.062 12.656 ( 1.536 -1.484 -0.087) 2.138 12.758 ( 4.325 -1.359 -0.446) 4.555 12.804 ( 2.924 -1.809 0.039) 3.438 12.926 ( 0.166 1.081 0.007) 1.094 13.068 ( -0.106 1.827 0.568) 1.916 13.100 ( 0.019 1.129 0.045) 1.130 13.127 ( -0.430 0.452 -0.309) 0.697 13.237 ( -0.559 1.094 -0.542) 1.342 13.261 ( 1.972 1.941 -0.423) 2.799 13.400 ( 0.391 0.089 1.316) 1.376 13.515 ( 0.869 3.012 -0.762) 3.226 13.551 ( -0.241 -1.080 0.073) 1.109 13.574 ( -0.685 -1.731 -0.780) 2.019 13.673 ( 4.548 -2.999 -0.339) 5.458 13.931 ( -0.537 -3.775 -0.404) 3.834 14.055 ( 0.771 -1.910 0.647) 2.159 14.154 ( -1.332 0.301 0.210) 1.382 14.239 ( 0.657 1.582 1.979) 2.617 14.416 ( -5.683 0.466 -4.169) 7.063 14.426 ( -2.628 3.537 -4.636) 6.396 14.485 ( 0.692 0.736 -0.659) 1.206 14.518 ( 0.430 0.996 -0.416) 1.162 14.719 ( -1.747 0.777 4.184) 4.600 14.885 ( 0.843 2.631 2.902) 4.007 ======================= Grid point 123 (55/78) ======================= q-point: (-0.25 -0.25 0.25) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( -28.396 -0.000 10.402) 30.241 1.365 ( -28.278 -0.000 7.970) 29.380 2.088 ( -22.365 -0.000 -4.599) 22.833 2.128 ( -10.816 -0.000 -17.064) 20.203 2.252 ( -8.501 -0.000 -2.921) 8.989 2.498 ( -14.008 -0.000 11.190) 17.929 2.594 ( -12.765 -0.000 -9.156) 15.710 2.827 ( -6.106 -0.000 4.695) 7.702 2.872 ( -9.968 -0.000 -5.526) 11.397 2.944 ( -14.269 -0.000 1.725) 14.373 2.955 ( -2.555 -0.000 -1.657) 3.045 3.037 ( 2.413 0.000 4.737) 5.316 3.103 ( -11.972 -0.000 1.520) 12.068 3.237 ( -4.520 -0.000 1.431) 4.741 3.280 ( -0.559 -0.000 -2.240) 2.309 3.345 ( -2.555 -0.000 -1.589) 3.009 3.544 ( -7.437 -0.000 4.490) 8.687 3.569 ( -8.784 -0.000 0.212) 8.787 3.652 ( -0.150 -0.000 -0.745) 0.760 3.743 ( -11.381 -0.000 -12.588) 16.970 3.775 ( -8.380 -0.000 -5.348) 9.941 3.842 ( -5.791 -0.000 -7.540) 9.507 3.930 ( -6.063 -0.000 3.343) 6.923 3.948 ( -3.118 -0.000 1.777) 3.589 4.037 ( -8.781 -0.000 -6.437) 10.887 4.103 ( -5.903 -0.000 4.858) 7.645 4.134 ( -4.694 -0.000 7.801) 9.104 4.169 ( -11.370 -0.000 -1.651) 11.490 4.392 ( -11.576 -0.000 -6.064) 13.068 4.461 ( -6.515 -0.000 -0.956) 6.585 4.625 ( -9.028 -0.000 -0.398) 9.037 4.852 ( 1.534 0.000 4.708) 4.952 4.921 ( -11.266 -0.000 -7.694) 13.643 5.065 ( 3.518 0.000 3.301) 4.824 5.128 ( -5.538 -0.000 1.384) 5.709 5.272 ( 3.126 0.000 10.804) 11.247 5.287 ( 8.199 0.000 22.967) 24.387 5.627 ( -4.225 -0.000 -4.110) 5.894 5.629 ( 8.509 0.000 -2.976) 9.015 5.863 ( -0.817 -0.000 -4.061) 4.142 6.069 ( 0.755 0.000 6.874) 6.915 6.162 ( -6.301 -0.000 0.459) 6.318 6.333 ( -1.293 -0.000 -2.481) 2.798 6.607 ( -1.372 -0.000 -6.330) 6.477 6.672 ( 4.723 0.000 11.481) 12.415 6.992 ( -1.292 -0.000 -0.310) 1.329 7.194 ( -5.946 -0.000 -13.792) 15.019 7.692 ( -1.966 -0.000 -0.394) 2.005 7.966 ( 0.477 0.000 -0.259) 0.543 8.087 ( -0.922 -0.000 -0.617) 1.109 8.194 ( -2.132 -0.000 0.112) 2.135 8.338 ( 0.758 0.000 0.111) 0.766 8.422 ( 2.827 0.000 0.465) 2.865 8.670 ( 1.380 0.000 -0.695) 1.545 8.692 ( -0.809 -0.000 -0.903) 1.212 8.714 ( 1.925 0.000 1.363) 2.359 8.772 ( 0.636 0.000 -0.191) 0.664 8.833 ( 0.478 0.000 0.192) 0.515 9.058 ( 2.747 0.000 -0.275) 2.761 9.097 ( 1.655 0.000 0.019) 1.655 9.197 ( -0.840 -0.000 -0.377) 0.921 9.253 ( 0.416 0.000 0.804) 0.905 9.381 ( 1.265 0.000 -0.121) 1.271 9.455 ( 0.622 0.000 0.699) 0.936 9.681 ( 0.653 0.000 -0.585) 0.877 9.932 ( 3.352 0.000 0.638) 3.413 9.994 ( 2.291 0.000 -0.620) 2.373 10.125 ( -0.335 -0.000 0.156) 0.369 10.229 ( 0.085 0.000 -0.038) 0.094 10.401 ( 10.523 0.000 0.294) 10.527 10.901 ( 11.018 0.000 -0.353) 11.023 11.022 ( 10.591 0.000 0.328) 10.596 11.370 ( 3.159 0.000 -0.202) 3.165 11.907 ( 5.861 0.000 0.878) 5.927 12.044 ( 7.081 0.000 0.211) 7.084 12.281 ( -0.974 -0.000 -0.135) 0.983 12.287 ( 1.669 0.000 0.591) 1.770 12.359 ( 1.154 0.000 -0.052) 1.155 12.460 ( 2.982 0.000 -1.388) 3.289 12.486 ( 7.397 0.000 0.820) 7.443 12.505 ( 3.849 0.000 0.941) 3.963 12.534 ( 3.228 0.000 0.938) 3.362 12.557 ( 0.744 0.000 -0.391) 0.841 12.665 ( 2.145 0.000 -0.180) 2.152 12.706 ( 4.881 0.000 -0.317) 4.891 12.750 ( 6.244 0.000 -0.425) 6.258 12.765 ( 6.540 0.000 -0.380) 6.551 12.947 ( 0.388 0.000 0.336) 0.513 13.109 ( -0.648 -0.000 1.748) 1.865 13.121 ( 1.100 0.000 0.244) 1.127 13.149 ( 0.620 0.000 -0.349) 0.711 13.238 ( -1.480 -0.000 -1.128) 1.860 13.339 ( 2.348 0.000 -1.093) 2.590 13.410 ( 0.333 0.000 1.520) 1.556 13.508 ( -0.075 -0.000 0.782) 0.786 13.535 ( -0.989 -0.000 -1.350) 1.674 13.583 ( 5.726 0.000 -0.346) 5.736 13.588 ( 0.886 0.000 -0.518) 1.026 13.836 ( -0.326 -0.000 -1.061) 1.110 14.007 ( 1.240 0.000 1.236) 1.751 14.158 ( -2.091 -0.000 0.098) 2.094 14.281 ( -0.055 -0.000 1.837) 1.838 14.425 ( -6.365 -0.000 -4.500) 7.795 14.494 ( -3.087 -0.000 -3.355) 4.559 14.496 ( 1.108 0.000 -0.695) 1.308 14.553 ( 0.216 0.000 -1.368) 1.385 14.738 ( -2.987 -0.000 4.598) 5.483 14.946 ( 0.051 0.000 2.644) 2.644 ======================= Grid point 124 (56/78) ======================= q-point: (-0.12 -0.25 0.25) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( -24.993 -12.094 12.829) 30.586 1.352 ( -32.893 -16.393 -1.702) 36.791 1.962 ( -29.831 -27.524 6.607) 41.123 2.184 ( -9.625 -21.300 -14.687) 27.605 2.224 ( -1.935 -3.826 -2.106) 4.777 2.399 ( -15.043 -3.695 -4.387) 16.099 2.609 ( -8.465 -13.911 8.403) 18.324 2.760 ( -5.779 -2.776 0.751) 6.455 2.814 ( -13.201 -2.002 4.046) 13.951 2.862 ( -7.687 -1.364 0.025) 7.807 3.050 ( -4.340 -17.031 -0.949) 17.601 3.086 ( -1.115 -2.786 2.861) 4.147 3.189 ( -1.152 -15.308 0.119) 15.352 3.295 ( -4.919 -3.057 -3.554) 6.795 3.369 ( -3.448 -14.607 -1.352) 15.069 3.427 ( 0.981 -12.807 1.482) 12.930 3.484 ( -7.972 -3.638 -6.440) 10.875 3.522 ( -6.092 -3.507 2.875) 7.594 3.558 ( -10.110 0.255 -1.809) 10.274 3.678 ( -8.127 -1.659 -7.075) 10.902 3.749 ( -2.403 3.727 -2.406) 5.045 3.796 ( -1.930 -13.184 0.630) 13.339 3.873 ( -5.331 -1.846 -3.055) 6.416 3.887 ( -6.673 -3.067 -0.849) 7.393 4.025 ( -7.314 -5.019 -2.946) 9.347 4.052 ( -5.045 -2.728 5.024) 7.624 4.146 ( -3.001 -2.700 1.579) 4.335 4.157 ( -4.033 -5.222 2.337) 7.000 4.257 ( -5.606 1.783 0.756) 5.931 4.460 ( -4.547 -4.115 -0.742) 6.177 4.541 ( -7.419 -0.055 -1.991) 7.682 4.803 ( -9.782 -1.363 -7.104) 12.166 4.871 ( 0.257 0.087 3.814) 3.823 5.050 ( -7.145 0.270 0.290) 7.156 5.120 ( 2.343 -1.780 1.755) 3.426 5.325 ( 4.239 1.687 6.993) 8.350 5.460 ( 8.299 -1.675 15.808) 17.933 5.534 ( -4.181 3.740 -4.943) 7.476 5.709 ( 6.525 -0.408 2.195) 6.896 5.802 ( -5.921 0.668 -12.034) 13.429 6.057 ( 0.338 2.731 1.717) 3.244 6.095 ( -4.539 0.409 -0.311) 4.568 6.325 ( -0.461 0.030 1.791) 1.849 6.587 ( 0.430 0.314 -0.502) 0.732 6.693 ( 1.242 4.989 9.326) 10.650 7.027 ( -0.198 -4.170 0.853) 4.261 7.093 ( -2.133 2.229 -8.407) 8.955 7.663 ( -1.505 0.916 -1.079) 2.066 7.971 ( 0.574 -0.110 -0.404) 0.710 8.066 ( -0.310 1.390 0.182) 1.436 8.180 ( -1.728 -0.396 0.150) 1.779 8.331 ( 0.816 1.440 -0.933) 1.900 8.426 ( 1.141 2.037 -0.005) 2.335 8.665 ( -0.461 0.620 -1.136) 1.374 8.689 ( 0.455 -0.765 -0.778) 1.182 8.744 ( 1.501 -0.383 2.091) 2.603 8.778 ( 0.552 -0.199 -0.238) 0.633 8.831 ( 0.701 0.899 -0.756) 1.368 9.081 ( 2.405 0.219 -0.335) 2.438 9.110 ( 1.533 0.492 0.226) 1.625 9.191 ( -0.365 -0.159 -0.395) 0.561 9.256 ( 0.559 0.461 0.782) 1.066 9.384 ( 0.986 0.964 0.216) 1.396 9.451 ( 0.073 0.864 0.307) 0.920 9.678 ( 0.290 0.633 -0.435) 0.821 9.953 ( 2.880 1.524 0.875) 3.373 9.989 ( 2.057 2.839 -0.795) 3.596 10.120 ( -0.657 -0.051 0.041) 0.661 10.224 ( 0.190 0.645 -0.015) 0.673 10.444 ( 8.109 5.909 -0.409) 10.042 10.950 ( 9.571 6.385 -0.171) 11.507 11.051 ( 8.322 7.738 0.123) 11.365 11.366 ( 3.030 3.858 -0.015) 4.905 11.964 ( 4.860 0.397 -0.028) 4.876 12.081 ( 5.802 3.286 0.114) 6.669 12.222 ( -0.160 3.891 0.430) 3.918 12.320 ( 1.087 1.933 -0.031) 2.218 12.341 ( 0.838 1.109 1.158) 1.809 12.431 ( 2.294 5.634 -0.709) 6.124 12.497 ( 2.603 4.645 -0.079) 5.325 12.514 ( 2.369 2.095 0.125) 3.165 12.558 ( 5.339 0.105 -0.209) 5.344 12.629 ( 2.738 -2.502 0.867) 3.809 12.663 ( 1.893 2.255 -0.738) 3.035 12.728 ( 4.991 7.435 -0.001) 8.955 12.768 ( 3.552 -0.791 -0.357) 3.657 12.839 ( 6.315 -0.272 -0.066) 6.321 12.944 ( 0.050 0.762 0.357) 0.843 13.104 ( 0.095 1.651 1.544) 2.263 13.118 ( 0.524 0.756 0.648) 1.125 13.137 ( -0.194 1.189 -0.623) 1.356 13.233 ( -0.607 -0.674 -0.957) 1.319 13.327 ( 2.071 2.751 -1.010) 3.588 13.415 ( 0.596 0.394 1.955) 2.081 13.521 ( -0.444 -1.265 -1.404) 1.942 13.538 ( -0.497 -1.536 0.786) 1.796 13.573 ( 0.929 2.333 -0.443) 2.550 13.668 ( 4.975 -2.710 -0.414) 5.680 13.865 ( 0.395 -3.126 -0.347) 3.170 14.036 ( 1.129 -1.449 0.744) 1.982 14.146 ( -0.592 -0.130 0.836) 1.033 14.281 ( 0.836 1.158 2.799) 3.142 14.338 ( -6.867 -0.194 -4.778) 8.368 14.424 ( -4.106 1.942 -5.097) 6.828 14.508 ( 1.335 0.238 -0.167) 1.366 14.544 ( 0.650 1.484 -0.113) 1.624 14.715 ( -3.289 0.314 3.435) 4.766 14.937 ( -0.110 1.741 2.027) 2.674 ======================= Grid point 132 (57/78) ======================= q-point: (-0.12 -0.12 0.25) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( -30.479 -0.000 16.952) 34.876 0.838 ( -28.476 -0.000 19.825) 34.697 1.267 ( -46.061 -0.000 21.763) 50.943 1.808 ( -8.060 -0.000 -20.308) 21.849 2.110 ( -11.519 -0.000 -18.039) 21.403 2.301 ( -6.707 -0.000 7.910) 10.371 2.309 ( -10.730 -0.000 11.639) 15.830 2.633 ( -15.812 -0.000 8.296) 17.856 2.730 ( -5.835 -0.000 2.086) 6.197 2.804 ( -1.809 -0.000 1.138) 2.138 2.845 ( -5.593 -0.000 -0.417) 5.608 2.981 ( -0.269 -0.000 -4.328) 4.336 3.061 ( -3.711 -0.000 0.117) 3.713 3.134 ( -4.628 -0.000 -0.271) 4.636 3.268 ( -0.145 -0.000 -0.841) 0.853 3.332 ( -6.353 -0.000 -5.141) 8.173 3.361 ( 2.308 0.000 -6.535) 6.931 3.449 ( -9.029 -0.000 -5.822) 10.743 3.468 ( -3.206 -0.000 3.070) 4.439 3.520 ( -9.920 -0.000 -6.080) 11.635 3.658 ( 0.434 0.000 -2.475) 2.512 3.750 ( 0.157 0.000 -6.520) 6.522 3.812 ( -5.931 -0.000 1.575) 6.137 3.867 ( -6.239 -0.000 -1.227) 6.358 3.894 ( -3.899 -0.000 4.962) 6.311 3.991 ( -3.659 -0.000 7.311) 8.175 4.043 ( -3.951 -0.000 1.971) 4.415 4.119 ( -0.879 -0.000 1.966) 2.153 4.283 ( -3.880 -0.000 4.772) 6.151 4.348 ( -3.425 -0.000 -0.828) 3.523 4.508 ( -0.660 -0.000 0.131) 0.673 4.691 ( -5.681 -0.000 -8.714) 10.403 4.872 ( -0.628 -0.000 1.884) 1.985 5.007 ( -6.302 -0.000 4.405) 7.689 5.112 ( 1.924 0.000 0.078) 1.926 5.398 ( 3.048 0.000 3.496) 4.639 5.466 ( -5.881 -0.000 -14.218) 15.387 5.506 ( -4.431 -0.000 -6.423) 7.803 5.686 ( -1.992 -0.000 -11.220) 11.395 5.836 ( 7.125 0.000 13.710) 15.451 6.053 ( -3.158 -0.000 -5.340) 6.204 6.079 ( -0.482 -0.000 3.828) 3.858 6.337 ( 0.386 0.000 5.194) 5.208 6.591 ( 0.282 0.000 2.488) 2.504 6.750 ( -3.850 -0.000 0.284) 3.861 6.987 ( 0.370 0.000 1.101) 1.161 7.130 ( 4.998 0.000 8.006) 9.438 7.654 ( -1.085 -0.000 -1.355) 1.735 7.969 ( 0.196 0.000 -0.388) 0.434 8.076 ( -0.221 -0.000 0.747) 0.779 8.164 ( -0.913 -0.000 -0.078) 0.917 8.344 ( 0.240 0.000 -1.015) 1.043 8.458 ( 1.022 0.000 -0.253) 1.053 8.656 ( -1.896 -0.000 0.166) 1.904 8.679 ( 0.581 0.000 -3.137) 3.190 8.765 ( 1.462 0.000 2.386) 2.798 8.781 ( 0.415 0.000 -0.229) 0.474 8.843 ( 0.604 0.000 -1.702) 1.806 9.103 ( 1.948 0.000 -0.000) 1.948 9.129 ( 1.052 0.000 0.322) 1.100 9.191 ( 0.456 0.000 -0.277) 0.534 9.264 ( -0.027 -0.000 0.156) 0.158 9.403 ( 0.843 0.000 0.917) 1.246 9.456 ( -0.537 -0.000 -0.213) 0.578 9.684 ( 0.065 0.000 -0.297) 0.304 9.989 ( 1.574 0.000 0.149) 1.581 10.042 ( 2.761 0.000 -0.058) 2.762 10.111 ( -0.819 -0.000 -0.196) 0.842 10.234 ( 0.363 0.000 0.207) 0.417 10.565 ( 5.313 0.000 -2.115) 5.719 11.098 ( 7.792 0.000 0.045) 7.792 11.196 ( 6.087 0.000 -0.084) 6.088 11.435 ( 3.015 0.000 0.266) 3.027 12.001 ( 3.032 0.000 -1.841) 3.547 12.170 ( 4.804 0.000 -0.091) 4.805 12.266 ( -0.415 -0.000 1.376) 1.437 12.329 ( 1.554 0.000 1.386) 2.082 12.380 ( 0.771 0.000 0.376) 0.858 12.505 ( 2.011 0.000 -0.178) 2.019 12.542 ( 0.064 0.000 -1.129) 1.131 12.558 ( 1.464 0.000 0.234) 1.483 12.612 ( 3.158 0.000 -0.200) 3.164 12.633 ( 4.037 0.000 -0.578) 4.078 12.699 ( 1.463 0.000 -1.071) 1.813 12.793 ( 4.506 0.000 0.362) 4.520 12.862 ( 4.476 0.000 0.181) 4.479 12.895 ( 4.376 0.000 0.688) 4.430 12.955 ( 0.891 0.000 0.385) 0.971 13.126 ( 0.922 0.000 2.062) 2.258 13.136 ( 0.338 0.000 -0.009) 0.338 13.165 ( 0.970 0.000 -0.136) 0.980 13.198 ( -1.728 -0.000 -0.512) 1.802 13.364 ( 0.965 0.000 -1.884) 2.116 13.436 ( 0.866 0.000 2.502) 2.648 13.496 ( -0.795 -0.000 -2.048) 2.197 13.522 ( -0.125 -0.000 1.391) 1.397 13.604 ( 0.925 0.000 -0.356) 0.991 13.688 ( 4.243 0.000 -0.243) 4.250 13.844 ( 1.293 0.000 0.558) 1.409 14.036 ( 1.126 0.000 0.485) 1.226 14.149 ( 1.167 0.000 1.810) 2.153 14.250 ( -6.582 -0.000 -4.310) 7.867 14.308 ( 0.071 0.000 2.268) 2.269 14.394 ( -1.935 -0.000 -2.515) 3.174 14.515 ( 0.082 0.000 -0.043) 0.093 14.569 ( 0.956 0.000 -0.216) 0.980 14.687 ( -4.089 -0.000 1.292) 4.288 14.951 ( -0.970 -0.000 0.462) 1.075 ======================= Grid point 133 (58/78) ======================= q-point: ( 0.00 0.00 -0.50) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( -0.000 -0.000 0.000) 0.000 1.219 ( 0.000 0.000 -0.000) 0.000 1.228 ( -0.000 -0.000 -0.000) 0.000 1.287 ( 0.000 0.000 0.000) 0.000 2.106 ( 0.000 0.000 -0.000) 0.000 2.353 ( 0.000 0.000 0.000) 0.000 2.444 ( 0.000 0.000 0.000) 0.000 2.524 ( 0.000 0.000 0.000) 0.000 2.580 ( -0.000 -0.000 0.000) 0.000 2.641 ( -0.000 -0.000 0.000) 0.000 2.709 ( 0.000 0.000 0.000) 0.000 2.899 ( -0.000 -0.000 0.000) 0.000 2.994 ( -0.000 -0.000 0.000) 0.000 3.048 ( 0.000 0.000 0.000) 0.000 3.115 ( 0.000 0.000 0.000) 0.000 3.159 ( -0.000 -0.000 -0.000) 0.000 3.165 ( 0.000 0.000 0.000) 0.000 3.318 ( 0.000 0.000 0.000) 0.000 3.468 ( 0.000 0.000 0.000) 0.000 3.506 ( 0.000 0.000 0.000) 0.000 3.627 ( 0.000 0.000 0.000) 0.000 3.683 ( 0.000 0.000 0.000) 0.000 3.830 ( -0.000 -0.000 0.000) 0.000 3.866 ( -0.000 -0.000 0.000) 0.000 3.983 ( 0.000 0.000 0.000) 0.000 4.014 ( 0.000 0.000 0.000) 0.000 4.149 ( 0.000 0.000 0.000) 0.000 4.167 ( 0.000 0.000 0.000) 0.000 4.285 ( -0.000 -0.000 -0.000) 0.000 4.342 ( 0.000 0.000 0.000) 0.000 4.453 ( -0.000 -0.000 -0.000) 0.000 4.611 ( 0.000 0.000 0.000) 0.000 4.895 ( 0.000 0.000 0.000) 0.000 4.908 ( 0.000 0.000 0.000) 0.000 4.924 ( -0.000 -0.000 -0.000) 0.000 5.086 ( -0.000 -0.000 0.000) 0.000 5.153 ( -0.000 -0.000 0.000) 0.000 5.480 ( 0.000 0.000 0.000) 0.000 5.568 ( 0.000 0.000 0.000) 0.000 5.830 ( -0.000 -0.000 0.000) 0.000 6.060 ( -0.000 -0.000 0.000) 0.000 6.193 ( 0.000 0.000 0.000) 0.000 6.413 ( 0.000 0.000 0.000) 0.000 6.634 ( 0.000 0.000 0.000) 0.000 6.746 ( -0.000 -0.000 0.000) 0.000 7.053 ( -0.000 -0.000 0.000) 0.000 7.504 ( -0.000 -0.000 0.000) 0.000 7.612 ( 0.000 0.000 0.000) 0.000 7.969 ( 0.000 0.000 0.000) 0.000 8.121 ( -0.000 -0.000 0.000) 0.000 8.152 ( 0.000 0.000 0.000) 0.000 8.301 ( 0.000 0.000 0.000) 0.000 8.465 ( 0.000 0.000 0.000) 0.000 8.612 ( 0.000 0.000 0.000) 0.000 8.701 ( 0.000 0.000 0.000) 0.000 8.771 ( -0.000 -0.000 0.000) 0.000 8.781 ( -0.000 -0.000 0.000) 0.000 8.810 ( 0.000 0.000 0.000) 0.000 9.137 ( -0.000 -0.000 0.000) 0.000 9.137 ( 0.000 0.000 -0.000) 0.000 9.224 ( -0.000 -0.000 0.000) 0.000 9.228 ( 0.000 0.000 0.000) 0.000 9.428 ( 0.000 0.000 0.000) 0.000 9.448 ( -0.000 -0.000 0.000) 0.000 9.685 ( 0.000 0.000 0.000) 0.000 9.990 ( 0.000 0.000 0.000) 0.000 10.089 ( 0.000 0.000 0.000) 0.000 10.095 ( -0.000 -0.000 0.000) 0.000 10.246 ( 0.000 0.000 0.000) 0.000 10.557 ( 0.000 0.000 0.000) 0.000 11.189 ( 0.000 0.000 0.000) 0.000 11.247 ( 0.000 0.000 0.000) 0.000 11.480 ( 0.000 0.000 0.000) 0.000 11.963 ( 0.000 0.000 0.000) 0.000 12.215 ( -0.000 -0.000 0.000) 0.000 12.302 ( -0.000 -0.000 0.000) 0.000 12.386 ( 0.000 0.000 0.000) 0.000 12.390 ( -0.000 -0.000 -0.000) 0.000 12.506 ( 0.000 0.000 0.000) 0.000 12.547 ( 0.000 0.000 0.000) 0.000 12.578 ( 0.000 0.000 0.000) 0.000 12.603 ( -0.000 -0.000 0.000) 0.000 12.649 ( 0.000 0.000 0.000) 0.000 12.697 ( 0.000 0.000 0.000) 0.000 12.858 ( 0.000 0.000 0.000) 0.000 12.916 ( 0.000 0.000 0.000) 0.000 12.949 ( 0.000 0.000 0.000) 0.000 13.027 ( -0.000 -0.000 0.000) 0.000 13.083 ( 0.000 0.000 0.000) 0.000 13.138 ( 0.000 0.000 0.000) 0.000 13.173 ( 0.000 0.000 0.000) 0.000 13.232 ( 0.000 0.000 0.000) 0.000 13.345 ( -0.000 -0.000 0.000) 0.000 13.448 ( -0.000 -0.000 0.000) 0.000 13.485 ( -0.000 -0.000 0.000) 0.000 13.539 ( 0.000 0.000 0.000) 0.000 13.609 ( 0.000 0.000 0.000) 0.000 13.731 ( 0.000 0.000 0.000) 0.000 13.896 ( -0.000 -0.000 0.000) 0.000 14.057 ( 0.000 0.000 0.000) 0.000 14.122 ( 0.000 0.000 0.000) 0.000 14.247 ( 0.000 0.000 0.000) 0.000 14.299 ( -0.000 -0.000 0.000) 0.000 14.460 ( 0.000 0.000 0.000) 0.000 14.499 ( 0.000 0.000 0.000) 0.000 14.574 ( 0.000 0.000 0.000) 0.000 14.589 ( 0.000 0.000 0.000) 0.000 14.887 ( -0.000 -0.000 0.000) 0.000 ======================= Grid point 135 (59/78) ======================= q-point: ( 0.12 0.00 -0.50) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( 4.920 -15.956 -24.151) 29.362 1.508 ( 4.388 -21.517 -21.671) 30.852 1.519 ( 15.015 -19.483 18.139) 30.562 1.616 ( 2.723 -28.013 21.882) 35.651 2.170 ( 7.161 -17.673 -31.968) 37.223 2.480 ( -1.480 -4.248 -7.874) 9.068 2.584 ( 3.650 -15.951 0.068) 16.363 2.646 ( 7.692 -7.317 5.496) 11.954 2.708 ( 11.687 -6.751 24.024) 27.556 2.761 ( 6.300 -0.795 -1.247) 6.471 2.826 ( 4.720 -15.895 1.711) 16.669 2.955 ( 2.135 -4.822 -1.289) 5.429 2.994 ( -3.125 -3.331 -5.803) 7.385 3.167 ( 3.144 -2.205 5.017) 6.319 3.200 ( 1.289 -16.603 0.114) 16.653 3.273 ( 5.746 -8.390 5.155) 11.401 3.327 ( 0.438 -15.383 0.240) 15.391 3.439 ( 0.866 -10.360 0.197) 10.398 3.517 ( 2.222 -5.477 -1.740) 6.162 3.582 ( 1.006 -10.200 -1.999) 10.443 3.678 ( -1.041 -0.822 -0.004) 1.326 3.735 ( 1.372 -11.005 0.575) 11.105 3.866 ( 0.983 -1.167 -2.700) 3.102 3.875 ( 1.728 -3.621 -3.934) 5.620 3.947 ( 2.616 2.936 -1.973) 4.399 4.054 ( 3.519 -1.880 2.747) 4.844 4.173 ( -0.489 -2.777 1.022) 3.000 4.224 ( 2.100 -5.655 -2.564) 6.554 4.265 ( -1.029 -1.537 -9.623) 9.799 4.399 ( -2.814 -1.491 -4.513) 5.524 4.448 ( 6.980 -2.653 7.504) 10.586 4.664 ( -0.870 4.685 -2.750) 5.502 4.805 ( 4.707 -2.141 10.524) 11.726 4.927 ( 0.878 -0.928 2.019) 2.389 4.961 ( -0.079 1.569 0.753) 1.743 5.159 ( 9.151 0.103 13.510) 16.318 5.183 ( -0.230 -2.195 -0.270) 2.224 5.467 ( 0.356 1.121 -1.952) 2.280 5.572 ( -0.096 -0.088 1.403) 1.409 5.821 ( 2.152 3.145 4.185) 5.660 6.033 ( -1.687 1.811 -1.167) 2.737 6.183 ( -0.816 0.275 -2.391) 2.541 6.409 ( -0.900 0.052 -0.082) 0.905 6.608 ( 1.269 3.500 1.344) 3.958 6.762 ( -0.554 -2.229 -3.789) 4.430 7.051 ( -0.401 -0.396 -1.739) 1.828 7.455 ( -3.329 2.577 -6.854) 8.044 7.610 ( 0.324 0.525 0.538) 0.819 7.970 ( -0.320 -0.187 0.070) 0.377 8.103 ( -0.727 1.442 -1.462) 2.178 8.154 ( 1.291 0.161 0.089) 1.304 8.301 ( -0.478 0.358 1.257) 1.392 8.446 ( -0.800 1.736 -0.383) 1.949 8.611 ( 0.532 0.511 1.701) 1.855 8.692 ( 0.098 0.244 -2.434) 2.448 8.761 ( 0.297 0.991 1.865) 2.133 8.798 ( -0.197 -1.047 0.693) 1.271 8.809 ( -0.661 -0.278 -0.395) 0.819 9.119 ( -1.680 0.595 0.249) 1.800 9.134 ( -0.023 0.728 -0.318) 0.795 9.209 ( -0.943 0.097 -1.306) 1.614 9.238 ( 0.979 0.242 1.436) 1.755 9.426 ( -0.106 0.690 -0.722) 1.005 9.435 ( -0.160 0.853 0.547) 1.026 9.679 ( -0.119 0.572 -0.094) 0.592 9.972 ( -0.509 1.776 0.485) 1.911 10.047 ( -1.745 3.397 -0.482) 3.849 10.100 ( 0.603 -0.132 0.125) 0.630 10.234 ( -0.291 0.981 -0.079) 1.026 10.502 ( -2.093 5.321 0.940) 5.794 11.100 ( -4.191 7.393 -0.192) 8.500 11.158 ( -2.811 8.405 0.224) 8.865 11.424 ( -1.593 4.848 -0.196) 5.107 11.965 ( -0.880 -0.256 1.331) 1.616 12.159 ( -2.349 4.772 0.117) 5.320 12.275 ( -0.513 2.597 -1.032) 2.841 12.332 ( -0.364 5.092 0.262) 5.112 12.377 ( -0.625 0.751 -0.076) 0.980 12.487 ( -1.227 5.416 -1.103) 5.662 12.515 ( -0.239 0.736 0.201) 0.800 12.543 ( -0.875 3.137 0.009) 3.257 12.573 ( -1.197 2.370 1.749) 3.179 12.639 ( -1.040 1.178 0.811) 1.768 12.688 ( -0.949 0.127 -0.005) 0.957 12.823 ( -2.193 8.028 -0.289) 8.327 12.843 ( -2.275 0.365 -0.334) 2.328 12.949 ( 0.122 0.482 -1.124) 1.229 12.966 ( -3.572 2.947 -0.006) 4.631 13.094 ( 0.973 0.540 0.945) 1.460 13.123 ( -0.162 1.542 0.256) 1.572 13.155 ( -0.256 1.224 -0.391) 1.310 13.235 ( -0.292 -0.076 -0.577) 0.651 13.325 ( -0.209 1.965 0.189) 1.985 13.464 ( -0.080 -1.334 0.789) 1.552 13.486 ( -0.630 -0.702 -0.493) 1.064 13.562 ( 0.168 -1.971 -0.398) 2.018 13.578 ( -0.085 2.912 -0.015) 2.913 13.737 ( -1.641 -1.355 -0.184) 2.136 13.907 ( -1.212 -1.882 -0.539) 2.302 14.064 ( -1.307 -1.425 -0.097) 1.936 14.150 ( 2.633 -1.185 1.535) 3.270 14.245 ( 0.278 0.866 0.283) 0.953 14.273 ( -2.911 -0.728 -3.975) 4.981 14.471 ( -2.458 0.828 -3.765) 4.572 14.494 ( 3.543 -0.191 1.657) 3.916 14.546 ( 0.140 2.309 0.335) 2.338 14.613 ( 2.668 -0.215 2.055) 3.374 14.885 ( 2.006 1.789 2.026) 3.366 ======================= Grid point 136 (60/78) ======================= q-point: ( 0.25 0.00 -0.50) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( 6.198 -19.421 -14.782) 25.181 1.749 ( 4.984 -14.495 -26.447) 30.568 1.993 ( 9.600 -16.709 16.289) 25.232 2.204 ( 6.437 -19.203 12.254) 23.671 2.509 ( -1.695 -8.724 -4.606) 10.010 2.620 ( 4.721 -10.460 -8.607) 14.345 2.762 ( 6.497 -3.860 0.858) 7.606 2.854 ( 3.667 -4.219 -0.007) 5.590 2.894 ( 9.692 -10.315 -5.899) 15.334 2.973 ( -4.018 -4.723 -6.340) 8.868 3.097 ( 6.824 -11.320 8.487) 15.708 3.188 ( 10.813 -12.149 8.834) 18.509 3.208 ( 7.017 -15.002 1.090) 16.598 3.312 ( 0.416 -13.196 1.923) 13.342 3.459 ( 1.892 -5.974 4.370) 7.640 3.479 ( 5.446 -10.350 -2.622) 11.986 3.607 ( -0.940 -2.555 -0.968) 2.889 3.664 ( 3.429 -22.016 -0.846) 22.297 3.730 ( 1.155 -14.738 -0.302) 14.786 3.734 ( 3.616 -7.918 -0.733) 8.735 3.846 ( -1.041 -20.976 -2.852) 21.194 3.921 ( 0.843 -1.352 -0.715) 1.746 3.943 ( 6.131 -10.417 -3.750) 12.655 4.029 ( 9.595 -11.976 0.710) 15.362 4.071 ( 1.814 -13.307 -1.576) 13.522 4.155 ( 2.885 -5.690 -0.205) 6.383 4.227 ( -3.148 -0.008 -6.710) 7.412 4.293 ( 0.910 -12.194 -0.321) 12.233 4.367 ( 0.852 -9.033 -6.499) 11.161 4.446 ( 4.890 -1.406 1.060) 5.197 4.492 ( -1.222 2.342 -2.461) 3.611 4.638 ( 7.885 -3.887 1.922) 8.998 4.934 ( 2.708 0.775 -0.012) 2.817 4.978 ( 1.309 -3.543 1.828) 4.196 5.034 ( 12.715 -1.807 25.899) 28.909 5.191 ( 0.458 1.723 0.369) 1.821 5.283 ( 6.719 -0.083 10.578) 12.532 5.449 ( -0.076 -0.033 -2.727) 2.728 5.574 ( 0.114 0.387 2.310) 2.345 5.793 ( 3.624 5.301 9.079) 11.120 5.961 ( -2.647 3.006 -2.618) 4.785 6.153 ( -1.706 0.640 -3.341) 3.806 6.385 ( -1.578 1.318 -1.155) 2.359 6.556 ( 2.226 4.980 2.331) 5.932 6.772 ( -2.139 -2.253 -7.614) 8.224 7.045 ( -1.326 0.024 -2.477) 2.809 7.311 ( -5.796 4.625 -10.890) 13.175 7.602 ( 0.409 1.048 0.601) 1.275 7.965 ( -0.507 0.316 0.281) 0.661 8.058 ( -0.768 2.166 -0.920) 2.475 8.175 ( 3.115 0.022 -0.193) 3.121 8.272 ( -2.296 1.986 0.381) 3.060 8.394 ( -1.001 2.594 -0.623) 2.849 8.621 ( 1.025 0.210 3.050) 3.224 8.690 ( 0.694 -0.402 -0.897) 1.203 8.756 ( 0.393 0.591 1.800) 1.934 8.803 ( -1.062 -0.382 -0.943) 1.470 8.811 ( -0.838 -0.733 0.134) 1.121 9.084 ( -2.042 1.402 0.328) 2.499 9.107 ( -0.758 1.973 -0.152) 2.119 9.202 ( -0.319 -0.585 -0.853) 1.082 9.247 ( 0.501 -0.015 1.052) 1.165 9.384 ( -1.228 2.309 -1.061) 2.822 9.429 ( 0.274 0.701 0.670) 1.008 9.664 ( -0.267 0.809 -0.059) 0.854 9.923 ( -0.742 3.467 0.713) 3.617 9.957 ( -2.152 3.593 -0.686) 4.244 10.110 ( 0.803 -0.099 0.284) 0.858 10.213 ( -0.287 0.987 -0.080) 1.031 10.343 ( -4.150 9.139 1.036) 10.091 10.874 ( -6.322 11.443 -0.109) 13.074 10.925 ( -4.551 13.054 0.209) 13.826 11.307 ( -1.870 5.910 -0.065) 6.199 11.946 ( -2.700 2.100 1.531) 3.747 12.035 ( -1.892 5.310 0.718) 5.683 12.197 ( -1.359 4.147 -2.304) 4.935 12.244 ( -0.572 4.525 0.882) 4.646 12.313 ( -1.105 6.932 0.706) 7.055 12.383 ( -1.346 2.734 -1.996) 3.643 12.435 ( -2.202 5.377 0.111) 5.811 12.473 ( -1.110 3.855 0.478) 4.040 12.525 ( -0.627 4.491 1.632) 4.819 12.583 ( -2.357 3.147 1.243) 4.123 12.637 ( -1.638 6.032 -0.048) 6.251 12.697 ( -1.751 -0.384 -0.157) 1.799 12.817 ( -2.102 -0.024 -0.667) 2.205 12.877 ( -3.096 2.159 0.071) 3.775 12.936 ( 0.048 1.333 -0.552) 1.444 13.084 ( -0.284 1.183 -0.368) 1.271 13.088 ( -0.385 1.881 1.034) 2.181 13.135 ( 0.365 0.830 -0.831) 1.230 13.220 ( -0.634 0.888 -0.300) 1.131 13.286 ( -0.349 1.967 0.221) 2.009 13.467 ( -2.094 0.008 -0.309) 2.117 13.506 ( 0.179 -1.392 0.605) 1.528 13.516 ( 0.256 3.324 -0.381) 3.356 13.599 ( 0.145 -1.751 -0.875) 1.963 13.737 ( -2.068 -0.889 -0.169) 2.258 13.932 ( -0.518 -2.313 -0.201) 2.379 14.076 ( -1.273 -1.440 0.030) 1.922 14.205 ( 0.007 -1.585 2.134) 2.658 14.225 ( 0.379 -0.103 -3.268) 3.291 14.260 ( 1.173 1.308 0.933) 1.989 14.410 ( -3.524 0.731 -5.593) 6.651 14.507 ( -0.495 1.527 -0.110) 1.609 14.517 ( 1.038 0.913 0.273) 1.409 14.665 ( 5.364 0.062 3.010) 6.151 14.879 ( 2.433 2.287 2.585) 4.223 ======================= Grid point 137 (61/78) ======================= q-point: ( 0.38 0.00 -0.50) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( 6.765 -16.370 -9.294) 20.003 2.008 ( 6.080 -13.497 -10.893) 18.379 2.342 ( 2.387 -6.477 3.001) 7.527 2.464 ( 5.029 -8.568 6.576) 11.914 2.578 ( -6.289 5.188 -3.452) 8.854 2.634 ( 1.677 -5.966 2.602) 6.721 2.849 ( 1.216 2.551 0.849) 2.951 2.915 ( 2.969 -2.043 1.187) 3.795 2.992 ( 1.583 -2.183 0.204) 2.704 3.099 ( 4.772 -2.279 1.184) 5.419 3.242 ( 0.681 -0.328 -2.936) 3.031 3.333 ( -0.653 1.765 0.827) 2.055 3.389 ( -0.093 -2.319 -2.573) 3.465 3.508 ( 4.536 -1.284 2.040) 5.137 3.663 ( 4.201 -10.414 -1.605) 11.344 3.716 ( -1.449 -10.513 0.247) 10.615 3.779 ( 7.044 -10.490 1.383) 12.712 3.914 ( -1.072 -8.821 2.897) 9.346 3.965 ( 3.264 -7.515 0.078) 8.194 4.006 ( 5.331 -17.051 -3.717) 18.248 4.056 ( 1.024 -13.314 -1.545) 13.443 4.124 ( -0.829 -5.109 -7.320) 8.965 4.181 ( 2.732 -5.857 -2.606) 6.968 4.217 ( 0.283 -8.129 1.913) 8.356 4.252 ( 3.418 -7.945 -0.457) 8.661 4.331 ( 1.950 -7.763 -2.062) 8.265 4.379 ( 0.970 -8.807 -1.303) 8.955 4.394 ( 0.555 -14.901 -0.700) 14.928 4.543 ( 7.999 -5.915 -0.377) 9.955 4.578 ( 5.651 -4.688 0.112) 7.343 4.620 ( 2.613 -13.238 0.025) 13.494 4.767 ( 2.738 -2.919 0.632) 4.052 4.986 ( 4.976 -2.432 2.449) 6.056 5.039 ( 3.493 2.147 2.294) 4.698 5.120 ( -1.778 4.732 -1.674) 5.324 5.239 ( 5.471 0.683 5.963) 8.121 5.373 ( 8.876 1.479 18.746) 20.794 5.458 ( -0.714 -2.858 3.250) 4.386 5.583 ( -0.092 -1.237 -2.281) 2.597 5.781 ( 1.030 2.549 4.620) 5.376 5.891 ( 0.867 2.531 4.249) 5.021 6.125 ( -0.207 -0.893 -3.436) 3.557 6.324 ( -1.952 2.942 0.051) 3.532 6.501 ( 3.493 5.424 5.016) 8.172 6.729 ( -7.271 -0.629 -15.286) 16.938 6.946 ( -4.628 5.263 -6.315) 9.433 7.211 ( -0.993 -0.916 -2.320) 2.685 7.583 ( 0.084 1.480 0.134) 1.489 7.956 ( -0.256 0.350 0.321) 0.539 8.014 ( -0.425 1.751 -0.387) 1.843 8.191 ( -0.266 3.381 0.352) 3.409 8.222 ( 1.884 -1.222 -1.786) 2.869 8.338 ( -1.867 2.304 0.630) 3.032 8.635 ( 0.443 -0.093 1.731) 1.789 8.718 ( 1.683 -1.176 1.368) 2.467 8.763 ( 0.495 -0.230 1.464) 1.563 8.795 ( -0.880 -0.298 -2.273) 2.456 8.810 ( -1.225 -0.444 0.075) 1.305 9.032 ( -1.825 2.268 0.541) 2.960 9.056 ( -0.866 2.462 -0.001) 2.610 9.215 ( 0.131 -0.821 0.344) 0.899 9.258 ( -0.055 -0.973 -0.141) 0.985 9.328 ( -1.040 2.282 -0.751) 2.618 9.420 ( 0.021 0.587 0.217) 0.626 9.649 ( -0.309 0.543 0.028) 0.626 9.850 ( -0.987 3.061 0.014) 3.216 9.898 ( -0.832 1.574 0.005) 1.780 10.109 ( -0.349 2.999 0.481) 3.057 10.152 ( -3.008 4.865 0.248) 5.725 10.199 ( -0.121 0.682 -0.079) 0.697 10.623 ( -4.572 9.731 0.000) 10.752 10.674 ( -3.698 9.353 0.089) 10.058 11.203 ( -1.184 3.845 0.104) 4.024 11.841 ( -2.978 4.495 0.245) 5.398 11.983 ( -0.240 1.308 1.668) 2.134 12.117 ( -0.802 2.921 -1.337) 3.311 12.156 ( -1.297 4.081 0.129) 4.284 12.200 ( -0.623 3.833 0.079) 3.884 12.308 ( -2.000 3.790 -1.576) 4.566 12.322 ( -1.616 5.173 1.093) 5.529 12.382 ( -0.821 3.840 -0.019) 3.926 12.455 ( 0.163 1.889 0.214) 1.908 12.525 ( -2.381 1.448 0.537) 2.838 12.565 ( 0.173 2.170 0.502) 2.234 12.693 ( -1.484 -0.407 0.394) 1.589 12.791 ( -1.317 0.722 -0.132) 1.508 12.846 ( -1.181 -0.838 0.281) 1.475 12.907 ( 0.033 1.648 -0.591) 1.751 13.054 ( -0.320 1.225 0.995) 1.611 13.064 ( -0.424 0.928 -0.737) 1.258 13.126 ( 0.470 0.433 -0.729) 0.970 13.196 ( -0.567 0.896 -0.178) 1.075 13.259 ( -0.286 0.813 0.130) 0.872 13.436 ( -1.737 0.717 -0.602) 1.973 13.463 ( 0.315 2.400 -0.112) 2.423 13.539 ( 0.037 -1.405 0.681) 1.562 13.616 ( -0.037 -0.578 -1.099) 1.242 13.728 ( -1.319 -0.181 -0.008) 1.332 13.974 ( 0.664 -2.091 0.351) 2.222 14.087 ( -0.672 -0.916 0.028) 1.137 14.201 ( -2.183 -1.090 -2.427) 3.441 14.236 ( 1.589 1.981 2.531) 3.586 14.256 ( 1.321 0.747 0.839) 1.734 14.357 ( -2.500 -0.335 -4.330) 5.011 14.482 ( 0.089 0.884 -0.229) 0.917 14.504 ( -0.224 0.750 0.042) 0.784 14.722 ( 3.755 -0.157 1.665) 4.110 14.870 ( 1.355 1.554 1.684) 2.662 ======================= Grid point 138 (62/78) ======================= q-point: ( 0.50 0.00 -0.50) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( 0.000 -0.000 0.000) 0.000 2.175 ( -0.000 -0.000 -0.000) 0.000 2.318 ( -0.000 0.000 0.000) 0.000 2.423 ( -0.000 0.000 0.000) 0.000 2.614 ( -0.000 0.000 0.000) 0.000 2.772 ( 0.000 -0.000 0.000) 0.000 2.821 ( -0.000 0.000 -0.000) 0.000 2.923 ( -0.000 0.000 0.000) 0.000 2.994 ( -0.000 0.000 0.000) 0.000 3.166 ( -0.000 -0.000 -0.000) 0.000 3.186 ( 0.000 0.000 0.000) 0.000 3.310 ( -0.000 0.000 0.000) 0.000 3.420 ( -0.000 0.000 0.000) 0.000 3.559 ( -0.000 0.000 0.000) 0.000 3.687 ( -0.000 0.000 -0.000) 0.000 3.815 ( 0.000 0.000 0.000) 0.000 3.875 ( 0.000 0.000 0.000) 0.000 4.045 ( -0.000 0.000 0.000) 0.000 4.101 ( 0.000 0.000 -0.000) 0.000 4.104 ( -0.000 -0.000 0.000) 0.000 4.154 ( -0.000 0.000 0.000) 0.000 4.186 ( -0.000 0.000 0.000) 0.000 4.283 ( 0.000 0.000 -0.000) 0.000 4.292 ( -0.000 0.000 0.000) 0.000 4.336 ( -0.000 -0.000 0.000) 0.000 4.402 ( 0.000 0.000 0.000) 0.000 4.545 ( -0.000 0.000 0.000) 0.000 4.552 ( 0.000 0.000 -0.000) 0.000 4.635 ( -0.000 0.000 0.000) 0.000 4.678 ( 0.000 -0.000 -0.000) 0.000 4.757 ( -0.000 0.000 -0.000) 0.000 4.848 ( -0.000 0.000 0.000) 0.000 4.986 ( -0.000 0.000 0.000) 0.000 5.031 ( -0.000 0.000 0.000) 0.000 5.084 ( -0.000 0.000 0.000) 0.000 5.193 ( 0.000 -0.000 0.000) 0.000 5.448 ( -0.000 0.000 -0.000) 0.000 5.552 ( -0.000 0.000 0.000) 0.000 5.581 ( 0.000 0.000 0.000) 0.000 5.749 ( 0.000 0.000 0.000) 0.000 5.895 ( -0.000 0.000 0.000) 0.000 6.148 ( -0.000 0.000 -0.000) 0.000 6.291 ( 0.000 0.000 0.000) 0.000 6.512 ( -0.000 0.000 -0.000) 0.000 6.572 ( 0.000 0.000 0.000) 0.000 6.870 ( -0.000 0.000 0.000) 0.000 7.228 ( -0.000 0.000 0.000) 0.000 7.566 ( -0.000 0.000 0.000) 0.000 7.952 ( -0.000 0.000 0.000) 0.000 7.994 ( -0.000 0.000 -0.000) 0.000 8.149 ( -0.000 0.000 0.000) 0.000 8.276 ( -0.000 0.000 0.000) 0.000 8.280 ( 0.000 -0.000 -0.000) 0.000 8.642 ( -0.000 0.000 0.000) 0.000 8.748 ( 0.000 0.000 0.000) 0.000 8.779 ( 0.000 -0.000 0.000) 0.000 8.779 ( -0.000 0.000 -0.000) 0.000 8.807 ( -0.000 0.000 -0.000) 0.000 8.998 ( -0.000 0.000 0.000) 0.000 9.025 ( -0.000 0.000 0.000) 0.000 9.225 ( 0.000 0.000 0.000) 0.000 9.281 ( -0.000 0.000 0.000) 0.000 9.287 ( -0.000 0.000 0.000) 0.000 9.415 ( -0.000 0.000 0.000) 0.000 9.642 ( -0.000 0.000 0.000) 0.000 9.817 ( -0.000 0.000 0.000) 0.000 9.881 ( -0.000 0.000 0.000) 0.000 10.033 ( -0.000 0.000 0.000) 0.000 10.132 ( -0.000 0.000 0.000) 0.000 10.194 ( -0.000 0.000 0.000) 0.000 10.504 ( -0.000 0.000 0.000) 0.000 10.570 ( -0.000 0.000 0.000) 0.000 11.162 ( -0.000 0.000 0.000) 0.000 11.783 ( -0.000 0.000 0.000) 0.000 11.973 ( -0.000 0.000 0.000) 0.000 12.077 ( -0.000 0.000 0.000) 0.000 12.122 ( -0.000 0.000 0.000) 0.000 12.161 ( -0.000 0.000 0.000) 0.000 12.241 ( -0.000 0.000 0.000) 0.000 12.276 ( -0.000 0.000 0.000) 0.000 12.346 ( -0.000 0.000 0.000) 0.000 12.442 ( -0.000 0.000 0.000) 0.000 12.498 ( -0.000 0.000 0.000) 0.000 12.550 ( -0.000 0.000 0.000) 0.000 12.687 ( -0.000 0.000 0.000) 0.000 12.777 ( 0.000 0.000 0.000) 0.000 12.857 ( -0.000 0.000 0.000) 0.000 12.886 ( -0.000 0.000 0.000) 0.000 13.047 ( -0.000 0.000 -0.000) 0.000 13.048 ( 0.000 0.000 0.000) 0.000 13.124 ( -0.000 0.000 0.000) 0.000 13.184 ( -0.000 0.000 0.000) 0.000 13.251 ( -0.000 0.000 0.000) 0.000 13.418 ( -0.000 0.000 0.000) 0.000 13.443 ( -0.000 0.000 0.000) 0.000 13.554 ( -0.000 0.000 0.000) 0.000 13.618 ( -0.000 0.000 0.000) 0.000 13.722 ( -0.000 0.000 0.000) 0.000 14.001 ( -0.000 0.000 0.000) 0.000 14.092 ( -0.000 0.000 0.000) 0.000 14.194 ( 0.000 0.000 0.000) 0.000 14.227 ( -0.000 0.000 -0.000) 0.000 14.254 ( -0.000 0.000 0.000) 0.000 14.344 ( 0.000 0.000 0.000) 0.000 14.475 ( -0.000 0.000 0.000) 0.000 14.496 ( -0.000 0.000 0.000) 0.000 14.746 ( -0.000 0.000 0.000) 0.000 14.865 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 144 (63/78) ======================= q-point: ( 0.12 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( 21.937 0.000 -19.113) 29.096 1.260 ( 17.501 0.000 -24.887) 30.425 1.428 ( 11.961 0.000 18.255) 21.825 1.654 ( 16.704 0.000 21.973) 27.602 1.999 ( 15.491 0.000 -38.884) 41.856 2.439 ( 8.673 0.000 -2.239) 8.958 2.444 ( 2.119 0.000 -7.462) 7.757 2.723 ( 9.784 0.000 3.759) 10.482 2.744 ( 6.573 0.000 4.269) 7.838 2.865 ( 14.903 0.000 -7.799) 16.820 2.889 ( -1.565 -0.000 -7.347) 7.512 2.900 ( 15.811 0.000 25.398) 29.917 2.922 ( 3.379 0.000 0.603) 3.433 3.100 ( 5.728 0.000 1.895) 6.034 3.143 ( 2.148 0.000 -1.475) 2.606 3.212 ( 0.719 0.000 4.338) 4.397 3.277 ( 6.521 0.000 9.504) 11.526 3.387 ( 6.257 0.000 1.067) 6.347 3.504 ( 2.001 0.000 -1.189) 2.328 3.507 ( 3.095 0.000 -3.220) 4.466 3.628 ( 0.122 0.000 0.007) 0.122 3.687 ( 1.916 0.000 -0.047) 1.917 3.860 ( 4.570 0.000 -3.234) 5.599 3.894 ( 5.303 0.000 -3.674) 6.452 3.981 ( 0.851 0.000 -3.860) 3.952 4.092 ( 4.790 0.000 1.513) 5.024 4.140 ( -1.524 -0.000 -4.928) 5.159 4.154 ( 2.485 0.000 -7.820) 8.206 4.297 ( 7.828 0.000 3.039) 8.397 4.348 ( 0.751 0.000 -1.639) 1.803 4.541 ( 9.670 0.000 7.881) 12.475 4.628 ( -7.657 -0.000 -14.349) 16.264 4.871 ( 2.842 0.000 6.331) 6.940 4.979 ( 10.129 0.000 20.721) 23.065 5.025 ( 2.762 0.000 2.928) 4.025 5.149 ( 0.733 0.000 0.893) 1.156 5.306 ( 9.319 0.000 13.503) 16.407 5.477 ( 0.876 0.000 -3.875) 3.972 5.570 ( -0.841 -0.000 2.400) 2.543 5.902 ( 4.542 0.000 7.590) 8.845 6.012 ( -4.278 -0.000 -3.255) 5.375 6.163 ( -1.489 -0.000 -4.377) 4.623 6.401 ( -0.759 -0.000 -0.145) 0.773 6.677 ( 3.346 0.000 4.242) 5.403 6.709 ( -1.661 -0.000 -7.329) 7.515 7.033 ( -0.728 -0.000 -3.175) 3.258 7.397 ( -6.592 -0.000 -12.999) 14.575 7.625 ( 1.019 0.000 1.221) 1.590 7.964 ( -0.312 -0.000 0.003) 0.312 8.106 ( -0.350 -0.000 -2.280) 2.306 8.163 ( 1.087 0.000 0.047) 1.088 8.310 ( -0.078 -0.000 2.346) 2.347 8.452 ( -1.233 -0.000 0.292) 1.267 8.624 ( 0.260 0.000 2.102) 2.118 8.689 ( 0.766 0.000 -3.236) 3.325 8.776 ( -0.620 -0.000 0.294) 0.686 8.793 ( 0.196 0.000 3.316) 3.322 8.795 ( -1.160 -0.000 -0.848) 1.437 9.102 ( -2.580 -0.000 0.157) 2.585 9.136 ( -0.685 -0.000 -0.382) 0.785 9.198 ( -0.688 -0.000 -0.933) 1.159 9.254 ( 0.790 0.000 1.072) 1.332 9.426 ( -0.957 -0.000 -1.266) 1.587 9.445 ( 0.487 0.000 0.969) 1.084 9.682 ( -0.285 -0.000 -0.108) 0.305 9.982 ( -1.030 -0.000 0.761) 1.281 10.050 ( -3.352 -0.000 -0.770) 3.439 10.108 ( 1.026 0.000 0.147) 1.036 10.239 ( -0.581 -0.000 -0.130) 0.595 10.521 ( -4.510 -0.000 1.838) 4.870 11.103 ( -7.999 -0.000 -0.398) 8.009 11.190 ( -5.944 -0.000 0.451) 5.961 11.443 ( -3.144 -0.000 -0.464) 3.178 11.953 ( -2.032 -0.000 2.313) 3.079 12.166 ( -4.688 -0.000 0.231) 4.694 12.295 ( -0.132 -0.000 -1.116) 1.124 12.360 ( -1.644 -0.000 -1.560) 2.266 12.381 ( -1.217 -0.000 0.474) 1.306 12.513 ( 0.035 0.000 1.435) 1.435 12.514 ( -2.537 -0.000 -1.250) 2.828 12.560 ( -1.748 -0.000 0.179) 1.757 12.591 ( -2.101 -0.000 1.918) 2.845 12.621 ( -3.151 -0.000 0.390) 3.175 12.681 ( -1.525 -0.000 0.347) 1.564 12.805 ( -4.080 -0.000 -0.644) 4.130 12.868 ( -4.457 -0.000 -0.316) 4.469 12.920 ( -6.679 -0.000 -1.730) 6.900 12.961 ( -0.235 -0.000 0.084) 0.250 13.121 ( 0.637 0.000 2.019) 2.117 13.135 ( -0.352 -0.000 0.105) 0.367 13.164 ( -0.829 -0.000 -0.091) 0.834 13.223 ( 0.363 0.000 -2.044) 2.076 13.342 ( -0.464 -0.000 0.392) 0.608 13.461 ( 0.751 0.000 1.263) 1.469 13.465 ( -1.737 -0.000 -0.382) 1.779 13.542 ( 0.340 0.000 -0.639) 0.724 13.603 ( -0.488 -0.000 -0.266) 0.556 13.689 ( -4.101 -0.000 -0.409) 4.121 13.865 ( -2.040 -0.000 -1.237) 2.386 14.039 ( -1.090 -0.000 0.200) 1.108 14.173 ( 1.841 0.000 1.995) 2.715 14.225 ( 0.742 0.000 -4.540) 4.600 14.289 ( 3.124 0.000 2.620) 4.077 14.437 ( -3.120 -0.000 -5.102) 5.980 14.511 ( 0.209 0.000 0.383) 0.436 14.565 ( -1.008 -0.000 0.190) 1.026 14.671 ( 6.764 0.000 2.760) 7.306 14.933 ( 2.682 0.000 2.155) 3.441 ======================= Grid point 145 (64/78) ======================= q-point: ( 0.25 0.12 -0.50) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( 22.034 -7.615 -13.295) 26.838 1.540 ( 18.538 -12.334 -24.085) 32.801 1.885 ( 11.381 -25.902 16.392) 32.698 1.956 ( 12.197 -7.901 18.771) 23.739 2.270 ( 15.875 -19.531 -18.507) 31.241 2.463 ( 5.482 -3.525 -9.076) 11.174 2.714 ( 9.175 -15.456 -1.471) 18.034 2.819 ( 0.592 -0.045 -7.586) 7.609 2.837 ( 9.916 -0.973 0.045) 9.964 2.944 ( 4.797 -0.575 -2.330) 5.364 2.978 ( 6.844 -14.274 6.138) 16.978 3.089 ( 13.715 -6.842 -0.450) 15.334 3.227 ( 5.080 -3.106 2.587) 6.492 3.231 ( 1.572 -12.460 -2.835) 12.874 3.261 ( 16.155 -5.139 15.595) 23.035 3.347 ( 1.555 -14.433 1.348) 14.579 3.453 ( 4.024 -13.101 3.632) 14.178 3.466 ( 1.123 -2.682 1.949) 3.500 3.582 ( 6.661 -3.370 1.526) 7.620 3.615 ( 5.226 -7.956 -2.880) 9.945 3.693 ( 3.196 -1.027 -0.428) 3.384 3.791 ( 4.237 -13.482 0.468) 14.139 3.903 ( 4.235 -0.311 -4.888) 6.475 3.924 ( 3.455 -0.089 -3.332) 4.801 4.022 ( 8.004 -3.755 -2.143) 9.097 4.135 ( 3.255 -1.942 -4.285) 5.721 4.164 ( 3.542 -2.833 0.167) 4.539 4.225 ( 3.398 -3.672 -5.048) 7.108 4.303 ( 5.322 2.810 -0.342) 6.028 4.483 ( 4.181 -0.383 2.397) 4.834 4.493 ( 1.990 -1.464 -5.207) 5.764 4.695 ( 10.910 -2.216 4.366) 11.958 4.913 ( 0.013 -2.255 0.178) 2.262 5.018 ( 4.099 2.081 3.340) 5.682 5.129 ( 0.181 -2.294 3.902) 4.529 5.264 ( 12.345 -1.225 20.677) 24.113 5.410 ( 6.463 1.285 8.543) 10.790 5.456 ( 1.433 1.764 -4.620) 5.149 5.576 ( -0.494 -0.449 4.448) 4.498 5.920 ( -4.177 2.606 -4.514) 6.680 5.959 ( 2.454 1.845 6.612) 7.290 6.130 ( -1.857 0.209 -3.832) 4.264 6.391 ( 0.015 0.664 -1.105) 1.289 6.643 ( -1.550 1.816 -4.570) 5.156 6.731 ( 3.135 0.801 1.821) 3.713 7.021 ( -0.679 -0.346 -2.646) 2.754 7.250 ( -8.976 1.907 -15.864) 18.326 7.635 ( 1.674 0.927 1.487) 2.423 7.963 ( -0.470 -0.051 0.315) 0.568 8.083 ( -0.120 1.491 -1.509) 2.125 8.185 ( 1.767 -0.841 -0.417) 2.001 8.301 ( -0.472 1.772 2.225) 2.883 8.422 ( -1.395 1.811 0.267) 2.302 8.633 ( 0.026 -0.033 2.084) 2.085 8.690 ( 0.903 -0.125 -1.516) 1.769 8.770 ( -0.767 -0.130 0.672) 1.028 8.780 ( -1.283 -0.081 -1.176) 1.742 8.800 ( -0.301 0.172 2.019) 2.049 9.073 ( -2.839 0.230 0.388) 2.874 9.118 ( -1.245 0.756 -0.499) 1.540 9.193 ( 0.098 -0.153 -0.507) 0.538 9.259 ( 0.221 0.407 0.491) 0.675 9.399 ( -1.505 1.230 -1.155) 2.261 9.447 ( 0.346 0.655 0.769) 1.068 9.673 ( -0.545 0.562 0.020) 0.784 9.959 ( -1.254 1.422 0.649) 2.004 9.984 ( -3.734 2.861 -0.643) 4.748 10.119 ( 1.008 -0.022 0.135) 1.018 10.225 ( -0.434 0.756 -0.056) 0.873 10.420 ( -7.074 5.335 1.637) 9.010 10.951 ( -9.781 6.397 -0.252) 11.690 11.049 ( -8.122 7.710 0.352) 11.204 11.370 ( -3.243 3.995 -0.319) 5.156 11.937 ( -3.383 -0.115 2.156) 4.013 12.078 ( -5.560 3.544 0.308) 6.601 12.249 ( -0.811 3.794 -1.842) 4.295 12.319 ( -1.108 3.970 0.293) 4.132 12.356 ( -1.162 0.004 -0.178) 1.175 12.435 ( -2.999 4.901 -1.243) 5.879 12.497 ( -2.132 4.353 -0.054) 4.847 12.512 ( -2.162 2.306 0.284) 3.173 12.537 ( -3.670 0.231 1.736) 4.067 12.612 ( -2.204 -0.154 2.165) 3.093 12.654 ( -2.176 0.474 -0.122) 2.230 12.744 ( -4.990 7.200 -0.868) 8.803 12.773 ( -3.572 -1.104 -0.964) 3.861 12.841 ( -7.205 -0.042 -0.285) 7.211 12.953 ( -0.153 0.741 -0.392) 0.852 13.112 ( -0.019 1.713 0.522) 1.791 13.117 ( -0.556 1.375 0.723) 1.650 13.145 ( -0.211 0.542 -0.862) 1.040 13.228 ( 0.371 0.172 -0.673) 0.787 13.317 ( -0.885 1.989 0.067) 2.178 13.442 ( -2.137 0.032 -0.262) 2.153 13.485 ( 0.460 -1.198 1.277) 1.810 13.562 ( 0.177 -1.098 -1.073) 1.545 13.572 ( -0.432 1.732 -0.416) 1.833 13.667 ( -4.882 -2.530 -0.318) 5.508 13.870 ( -1.297 -2.857 -0.778) 3.232 14.043 ( -0.765 -1.271 0.174) 1.493 14.180 ( 0.196 -0.155 -2.181) 2.195 14.259 ( 5.050 0.011 1.804) 5.363 14.322 ( 3.507 1.291 3.082) 4.844 14.380 ( -2.541 1.349 -4.353) 5.218 14.505 ( -1.393 0.115 0.121) 1.403 14.542 ( -0.968 1.216 0.103) 1.558 14.739 ( 6.185 0.629 1.023) 6.300 14.946 ( 2.142 1.836 1.121) 3.036 ======================= Grid point 146 (65/78) ======================= q-point: ( 0.38 0.12 -0.50) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( 17.906 -11.472 -8.608) 22.942 1.892 ( 20.193 -9.440 -9.617) 24.276 2.221 ( 3.012 -10.223 7.661) 13.125 2.398 ( 5.848 -12.426 6.501) 15.194 2.527 ( 5.950 -4.816 2.040) 7.922 2.649 ( 2.425 -1.498 -0.548) 2.902 2.877 ( 4.931 -7.925 -4.815) 10.503 2.963 ( 5.481 -0.368 -1.272) 5.638 2.975 ( 7.753 -4.913 -0.292) 9.184 3.032 ( 6.326 -8.219 -1.943) 10.552 3.206 ( 1.376 -0.891 -5.703) 5.934 3.320 ( 7.043 -7.319 0.694) 10.181 3.353 ( 5.810 -3.610 4.080) 7.964 3.484 ( 3.681 -16.139 1.772) 16.648 3.547 ( 1.477 -1.280 3.182) 3.735 3.577 ( 6.827 -13.320 5.340) 15.892 3.663 ( 8.155 -0.482 1.010) 8.232 3.709 ( -0.063 -18.728 3.870) 19.124 3.763 ( 0.823 -12.171 -0.022) 12.199 3.820 ( 6.751 -9.903 -5.493) 13.184 3.854 ( 3.997 -20.924 -2.953) 21.506 3.945 ( 3.047 -1.756 -0.527) 3.557 4.015 ( 3.327 -8.577 -2.070) 9.430 4.133 ( 2.645 -15.424 1.133) 15.691 4.187 ( 2.090 -2.132 -3.330) 4.472 4.197 ( 7.024 -3.323 -2.612) 8.197 4.270 ( 7.710 -4.661 0.587) 9.029 4.334 ( 4.215 -3.524 -3.302) 6.410 4.353 ( 2.954 -8.832 -0.984) 9.365 4.504 ( 6.813 -5.196 2.138) 8.831 4.657 ( 11.095 -1.330 0.979) 11.218 4.814 ( 4.753 1.153 3.679) 6.120 4.962 ( 2.229 -4.281 -1.004) 4.930 5.090 ( 2.155 -1.692 1.357) 3.057 5.141 ( 2.664 0.429 0.209) 2.707 5.381 ( 4.507 3.108 1.462) 5.667 5.419 ( 0.354 2.101 -0.822) 2.284 5.469 ( -1.013 -1.139 7.008) 7.172 5.642 ( 8.617 0.845 14.465) 16.858 5.783 ( -7.563 2.111 -12.030) 14.365 5.957 ( 0.544 3.420 6.404) 7.280 6.114 ( 1.556 -0.283 0.606) 1.694 6.362 ( 0.136 2.452 -1.917) 3.115 6.582 ( -4.101 0.325 -3.278) 5.260 6.697 ( 1.046 6.556 -5.055) 8.344 6.970 ( -2.341 3.598 -1.147) 4.443 7.147 ( -2.518 -2.741 -5.402) 6.560 7.631 ( 1.836 2.158 1.332) 3.131 7.958 ( -0.455 0.171 0.378) 0.616 8.047 ( 0.314 2.174 -1.020) 2.422 8.208 ( -0.404 0.331 -0.298) 0.601 8.264 ( 1.916 2.215 1.186) 3.160 8.368 ( -1.852 2.711 0.705) 3.358 8.635 ( -0.516 0.046 0.872) 1.015 8.705 ( 0.022 -1.366 -0.393) 1.422 8.769 ( -1.207 -0.841 -1.585) 2.162 8.772 ( -0.335 -0.233 1.127) 1.198 8.796 ( -0.161 0.515 1.017) 1.151 9.037 ( -2.820 0.965 0.559) 3.032 9.083 ( -1.245 1.623 -0.338) 2.073 9.205 ( 0.857 -0.763 0.167) 1.159 9.249 ( -0.557 0.321 -0.383) 0.748 9.352 ( -1.336 1.933 -0.581) 2.421 9.434 ( -0.147 0.974 0.126) 0.993 9.655 ( -0.742 0.678 0.169) 1.020 9.891 ( -2.740 3.258 -0.514) 4.288 9.918 ( -1.009 1.947 0.466) 2.242 10.127 ( 0.568 0.036 -0.011) 0.569 10.205 ( -1.386 1.981 0.428) 2.455 10.232 ( -6.159 6.554 0.382) 9.001 10.722 ( -7.916 8.472 -0.071) 11.595 10.798 ( -7.775 10.546 0.165) 13.103 11.261 ( -2.443 4.654 -0.044) 5.257 11.878 ( -4.212 3.310 0.510) 5.381 11.983 ( -4.206 0.904 0.749) 4.367 12.166 ( -0.250 3.896 -1.290) 4.111 12.232 ( -0.834 4.765 0.752) 4.895 12.282 ( -2.263 6.505 0.656) 6.918 12.338 ( -1.582 2.911 -2.147) 3.948 12.386 ( -2.637 4.032 -0.052) 4.818 12.442 ( -2.596 3.009 0.828) 4.059 12.502 ( -2.184 1.754 -0.247) 2.812 12.522 ( -4.147 5.694 0.999) 7.115 12.604 ( -1.575 2.870 0.103) 3.275 12.657 ( -1.637 -1.900 -0.200) 2.516 12.757 ( -4.161 -1.189 -0.447) 4.351 12.801 ( -3.368 -1.903 0.410) 3.890 12.931 ( -0.304 1.309 -0.393) 1.400 13.080 ( -0.020 1.590 -0.519) 1.673 13.088 ( -0.153 1.873 0.975) 2.117 13.135 ( 0.188 0.419 -0.800) 0.922 13.217 ( 0.248 1.247 0.745) 1.473 13.272 ( -0.988 1.586 -0.793) 2.030 13.419 ( -1.903 0.037 -0.376) 1.940 13.512 ( -0.307 2.996 -0.409) 3.039 13.518 ( 0.269 -1.327 1.677) 2.155 13.594 ( 0.073 -1.537 -1.420) 2.094 13.669 ( -4.395 -2.955 0.015) 5.296 13.925 ( 0.145 -3.823 0.120) 3.827 14.064 ( -0.210 -1.551 -0.119) 1.570 14.179 ( 0.918 0.045 -2.463) 2.629 14.286 ( 0.480 1.830 -1.515) 2.424 14.331 ( 2.986 3.641 5.021) 6.883 14.341 ( 2.423 -0.085 1.088) 2.657 14.484 ( -1.636 0.366 -0.142) 1.683 14.513 ( -0.909 0.935 0.153) 1.313 14.773 ( 3.712 1.276 -1.000) 4.050 14.922 ( 0.782 2.648 -0.470) 2.801 ======================= Grid point 147 (66/78) ======================= q-point: ( 0.50 0.12 -0.50) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( 12.729 -10.536 -6.512) 17.761 2.170 ( 12.826 -5.701 5.259) 14.989 2.387 ( 0.909 -4.441 -4.017) 6.057 2.445 ( -0.629 8.247 2.452) 8.627 2.590 ( 2.739 0.673 0.429) 2.853 2.776 ( 8.015 -7.422 11.309) 15.723 2.906 ( 0.662 5.951 1.615) 6.202 2.970 ( 7.143 1.334 0.351) 7.275 3.103 ( 1.342 8.534 -6.588) 10.865 3.115 ( 4.009 0.269 -3.381) 5.251 3.287 ( 6.029 -6.106 1.621) 8.732 3.336 ( 0.711 7.545 1.014) 7.646 3.427 ( 2.203 -0.065 2.330) 3.208 3.582 ( 2.621 -1.157 0.071) 2.866 3.670 ( -1.685 -0.833 -2.410) 3.057 3.767 ( 2.132 -8.684 2.140) 9.194 3.840 ( -0.856 -2.583 0.404) 2.751 3.945 ( 0.644 -6.815 -0.448) 6.860 3.965 ( 4.705 -13.893 2.219) 14.835 4.053 ( -0.818 -13.667 1.642) 13.789 4.140 ( 3.467 -6.466 5.943) 9.442 4.159 ( 6.371 -8.022 -4.986) 11.393 4.220 ( 0.428 -2.900 3.475) 4.546 4.266 ( 1.904 -14.466 -1.910) 14.715 4.283 ( 2.424 -0.872 -1.207) 2.844 4.325 ( 0.224 -3.385 -0.658) 3.456 4.411 ( 2.852 -10.677 -1.624) 11.170 4.451 ( 2.626 -4.598 2.799) 5.989 4.582 ( -0.923 -8.443 -1.395) 8.607 4.735 ( 6.640 -5.491 -0.011) 8.616 4.739 ( 7.763 -0.359 -1.534) 7.922 4.819 ( 3.185 1.360 -0.308) 3.477 5.025 ( -4.773 2.469 -5.850) 7.944 5.059 ( 1.908 -0.967 2.966) 3.657 5.172 ( 4.529 5.368 5.943) 9.200 5.306 ( 1.522 9.166 -1.658) 9.438 5.352 ( -6.361 0.529 -7.117) 9.560 5.517 ( -1.968 -4.365 -3.179) 5.748 5.631 ( -1.356 1.553 -1.184) 2.377 5.747 ( 1.738 0.510 3.060) 3.556 5.876 ( -6.109 3.435 -4.923) 8.565 6.178 ( 4.743 -0.183 5.130) 6.989 6.303 ( -1.819 2.411 -0.637) 3.087 6.437 ( -7.948 4.259 -16.361) 18.682 6.658 ( 6.440 -2.146 10.527) 12.526 6.926 ( 3.203 3.821 7.151) 8.718 7.193 ( -0.028 -3.090 -1.017) 3.253 7.607 ( 1.673 2.803 1.331) 3.525 7.951 ( -0.349 0.122 0.111) 0.386 8.013 ( 0.771 1.767 -0.971) 2.158 8.163 ( -1.317 1.973 1.447) 2.778 8.282 ( 0.588 0.528 -0.605) 0.995 8.302 ( -0.043 2.023 1.347) 2.431 8.628 ( -1.280 -0.276 -0.833) 1.552 8.723 ( -1.216 -1.321 -1.598) 2.404 8.771 ( -0.473 -0.258 -0.812) 0.975 8.783 ( -0.829 -1.781 0.168) 1.972 8.795 ( 1.002 0.195 1.687) 1.972 8.992 ( -2.165 0.839 -0.154) 2.327 9.043 ( -0.335 1.614 0.170) 1.657 9.220 ( -0.206 -0.193 -0.342) 0.444 9.259 ( 1.070 -1.645 0.432) 2.009 9.309 ( -0.736 1.558 -0.187) 1.733 9.418 ( -0.221 0.480 -0.286) 0.601 9.641 ( -0.482 0.140 0.175) 0.532 9.827 ( -1.123 1.601 -0.222) 1.968 9.884 ( -0.571 0.870 0.084) 1.044 10.053 ( -4.124 4.201 0.044) 5.888 10.130 ( -0.054 -0.051 -0.168) 0.184 10.200 ( 0.143 0.549 0.211) 0.605 10.534 ( -3.922 5.329 -0.072) 6.617 10.594 ( -3.919 4.742 0.083) 6.153 11.177 ( -1.284 2.431 -0.080) 2.750 11.790 ( -2.036 1.957 -0.039) 2.824 11.950 ( -3.060 -0.737 -0.524) 3.191 12.108 ( 0.312 2.857 -0.308) 2.890 12.155 ( 0.640 3.138 0.958) 3.343 12.182 ( -0.804 2.810 0.165) 2.927 12.265 ( -1.209 2.726 -0.876) 3.108 12.292 ( -1.610 3.463 0.349) 3.835 12.367 ( -0.928 2.455 0.226) 2.634 12.427 ( -2.560 0.368 -0.771) 2.699 12.482 ( -1.856 -0.554 -0.049) 1.938 12.557 ( -1.082 1.295 -0.114) 1.692 12.676 ( 0.009 -1.271 -0.306) 1.308 12.741 ( -3.490 -1.875 -0.092) 3.963 12.825 ( -0.780 -2.520 0.492) 2.683 12.902 ( -0.370 1.398 -0.133) 1.452 13.055 ( 0.273 1.118 -0.957) 1.497 13.065 ( 0.486 1.063 0.826) 1.432 13.127 ( -0.183 0.422 -0.227) 0.513 13.202 ( 0.571 1.132 1.657) 2.086 13.245 ( -0.596 0.115 -1.221) 1.364 13.408 ( -0.694 -0.503 0.278) 0.901 13.458 ( -0.472 2.116 -0.682) 2.272 13.549 ( 0.219 -0.886 1.590) 1.833 13.610 ( 0.117 -0.806 -0.839) 1.170 13.680 ( -3.118 -2.705 0.091) 4.129 13.985 ( 0.292 -2.013 0.209) 2.045 14.088 ( 0.416 -1.133 -0.377) 1.265 14.180 ( 1.042 0.013 -2.376) 2.594 14.247 ( -0.532 0.680 -2.295) 2.452 14.308 ( 2.757 3.966 5.192) 7.091 14.382 ( 3.980 0.901 4.845) 6.334 14.465 ( -1.544 -0.107 -0.172) 1.558 14.494 ( -0.801 0.303 0.220) 0.884 14.761 ( 0.268 1.844 -2.527) 3.139 14.876 ( -0.650 1.927 -2.206) 3.000 ======================= Grid point 148 (67/78) ======================= q-point: (-0.38 0.12 0.50) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( 0.149 9.772 7.448) 12.288 2.259 ( 6.530 13.321 3.719) 15.295 2.393 ( 2.721 1.582 1.661) 3.559 2.448 ( 4.328 -6.708 -0.181) 7.985 2.632 ( -1.738 -3.162 -2.841) 4.593 2.736 ( 2.953 15.815 0.980) 16.118 2.889 ( -5.390 2.892 -10.189) 11.884 2.955 ( 5.942 4.052 6.645) 9.792 3.066 ( 7.030 4.475 -1.848) 8.536 3.096 ( 4.151 0.681 5.955) 7.291 3.246 ( 0.390 1.054 0.630) 1.288 3.334 ( 0.826 2.007 -3.725) 4.311 3.422 ( -0.606 1.722 2.481) 3.080 3.518 ( -2.141 3.627 0.039) 4.212 3.729 ( 0.406 -1.384 -1.082) 1.803 3.814 ( -1.823 2.621 3.213) 4.530 3.861 ( 3.933 1.711 -0.209) 4.294 4.013 ( -0.526 1.103 -3.826) 4.017 4.131 ( 2.779 7.050 -0.839) 7.624 4.162 ( 1.582 2.534 1.642) 3.409 4.191 ( -3.479 3.644 8.378) 9.776 4.208 ( -1.308 0.853 5.835) 6.040 4.268 ( -0.986 1.512 0.678) 1.928 4.285 ( 2.939 3.495 5.203) 6.923 4.322 ( -1.934 -5.275 -0.977) 5.703 4.396 ( -0.558 7.298 -3.065) 7.935 4.457 ( -5.974 3.454 1.482) 7.058 4.528 ( -0.915 -2.155 1.058) 2.569 4.634 ( -0.153 3.821 -1.549) 4.126 4.708 ( 0.734 3.581 2.234) 4.284 4.728 ( -0.086 11.575 -1.065) 11.624 4.823 ( -2.595 2.847 -1.058) 3.995 4.930 ( -2.155 -0.268 -7.407) 7.719 5.053 ( -1.363 0.138 0.998) 1.695 5.072 ( -1.431 9.665 -1.411) 9.872 5.197 ( -7.594 1.035 -14.648) 16.532 5.257 ( 3.330 0.939 4.589) 5.747 5.474 ( -3.753 2.585 -8.765) 9.879 5.646 ( 0.985 1.265 3.506) 3.855 5.681 ( -8.507 1.564 -14.656) 17.018 5.797 ( -0.511 -5.051 -2.435) 5.631 6.167 ( -0.781 2.780 4.308) 5.186 6.306 ( 3.162 -2.344 0.784) 4.013 6.371 ( -1.894 -4.273 -4.712) 6.637 6.882 ( 9.874 -3.911 16.700) 19.791 6.917 ( 2.141 0.659 4.244) 4.798 7.210 ( -1.269 -0.624 -1.944) 2.404 7.590 ( 1.487 1.260 1.462) 2.437 7.950 ( -0.113 -0.285 -0.147) 0.340 8.005 ( 1.222 -0.084 -0.656) 1.390 8.145 ( -1.821 -0.570 0.703) 2.033 8.239 ( -0.484 0.839 3.107) 3.255 8.329 ( 2.093 -0.797 -0.599) 2.318 8.609 ( -2.243 -0.322 -3.279) 3.986 8.714 ( -1.055 0.334 -1.012) 1.499 8.760 ( -0.896 0.389 -0.665) 1.181 8.809 ( 0.248 -0.728 1.548) 1.729 8.814 ( 0.813 -0.749 0.001) 1.106 8.991 ( -0.084 -2.538 -0.710) 2.637 9.036 ( 0.590 -0.659 0.193) 0.905 9.220 ( 0.061 -0.153 -0.611) 0.633 9.277 ( -0.563 1.235 -0.230) 1.377 9.308 ( 1.452 -1.577 1.287) 2.500 9.412 ( -0.211 -0.135 -0.308) 0.397 9.642 ( -0.022 -0.418 0.013) 0.419 9.817 ( -0.002 -1.199 -0.066) 1.201 9.880 ( -0.048 -0.788 -0.057) 0.792 10.031 ( -0.021 -4.139 -0.313) 4.151 10.130 ( -0.115 -0.327 -0.171) 0.386 10.196 ( 0.151 0.088 0.179) 0.251 10.508 ( 0.370 -5.154 -0.075) 5.168 10.572 ( 0.146 -4.223 0.017) 4.226 11.159 ( -0.134 -1.414 -0.191) 1.433 11.791 ( 0.696 -2.992 -0.097) 3.073 11.943 ( -1.721 -1.550 -1.402) 2.707 12.091 ( 1.171 -0.799 0.244) 1.438 12.141 ( 0.752 0.231 0.449) 0.906 12.162 ( 0.090 -0.679 0.263) 0.734 12.244 ( 0.017 -2.300 -0.002) 2.300 12.281 ( 0.840 -2.090 0.162) 2.259 12.348 ( -0.404 -0.872 0.371) 1.030 12.419 ( -0.905 -1.262 -0.703) 1.705 12.494 ( -0.878 -2.618 -0.304) 2.778 12.537 ( -0.511 -0.276 -0.577) 0.819 12.699 ( 0.957 -0.862 -0.610) 1.425 12.755 ( -1.591 -2.814 -0.250) 3.242 12.859 ( 0.296 -0.649 0.017) 0.713 12.882 ( -0.586 -0.424 0.617) 0.951 13.047 ( 0.824 0.067 -0.883) 1.210 13.064 ( 0.619 -0.056 0.474) 0.782 13.118 ( -0.710 0.005 0.380) 0.805 13.203 ( 1.000 0.303 1.799) 2.080 13.244 ( -0.242 -0.724 -1.094) 1.334 13.425 ( 0.027 -1.067 0.213) 1.088 13.435 ( -0.064 -0.718 -0.162) 0.738 13.556 ( 0.057 0.572 0.415) 0.709 13.622 ( 0.254 -0.339 0.464) 0.628 13.703 ( -1.503 -2.572 0.012) 2.979 13.987 ( -0.923 0.951 -0.365) 1.375 14.107 ( 1.112 -0.249 -0.386) 1.203 14.192 ( 0.738 -0.989 -2.099) 2.434 14.240 ( 0.038 -0.086 -0.607) 0.614 14.291 ( 3.722 3.148 4.880) 6.898 14.418 ( 3.631 1.110 5.574) 6.745 14.456 ( -1.566 -0.814 -0.239) 1.781 14.490 ( -0.635 -0.599 0.128) 0.882 14.701 ( -2.812 2.213 -3.370) 4.916 14.836 ( -1.644 0.281 -3.262) 3.663 ======================= Grid point 149 (68/78) ======================= q-point: (-0.25 0.12 0.50) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( 5.815 20.079 10.826) 23.541 2.045 ( 0.880 13.443 12.938) 18.678 2.238 ( -4.971 23.555 -7.012) 25.074 2.333 ( -2.612 7.861 -6.899) 10.780 2.594 ( 0.211 -1.572 0.381) 1.632 2.733 ( 0.557 0.008 -1.743) 1.830 2.783 ( 0.194 4.991 -1.005) 5.095 2.885 ( 0.757 5.032 2.543) 5.689 2.947 ( -2.262 6.619 -1.860) 7.238 3.128 ( -1.477 5.991 -3.590) 7.139 3.182 ( 3.106 4.169 4.190) 6.677 3.340 ( -3.559 5.766 -1.282) 6.896 3.424 ( 3.660 -3.157 2.613) 5.495 3.448 ( -0.377 7.888 3.723) 8.731 3.579 ( -4.783 18.498 -4.385) 19.603 3.698 ( -0.170 6.092 0.419) 6.109 3.765 ( -1.631 16.880 -1.913) 17.066 3.825 ( 2.452 17.837 2.887) 18.234 3.910 ( -2.718 7.846 -0.410) 8.314 4.003 ( 1.840 8.850 0.458) 9.051 4.024 ( -6.611 9.151 2.385) 11.538 4.032 ( -6.188 17.797 0.487) 18.848 4.187 ( -0.492 9.101 -1.125) 9.183 4.207 ( 0.294 5.018 -0.014) 5.026 4.272 ( 0.455 15.665 0.716) 15.688 4.347 ( -4.965 13.582 2.417) 14.661 4.355 ( 3.672 6.317 12.910) 14.834 4.432 ( -0.874 5.055 2.607) 5.755 4.448 ( 0.200 3.626 -3.016) 4.721 4.495 ( 1.456 7.093 0.692) 7.274 4.613 ( 1.135 12.370 2.069) 12.593 4.696 ( -2.541 7.981 -2.767) 8.820 4.856 ( -7.097 0.455 -13.042) 14.855 4.919 ( -6.467 2.842 -6.340) 9.492 5.002 ( -0.652 -0.070 0.405) 0.771 5.111 ( -2.087 -0.354 -5.238) 5.649 5.271 ( -0.444 2.974 -0.660) 3.079 5.425 ( -1.020 -4.112 -4.378) 6.092 5.571 ( -1.943 2.681 -0.447) 3.341 5.658 ( -0.971 -4.084 -4.612) 6.236 5.902 ( 0.527 -5.912 0.315) 5.944 6.163 ( 0.878 -0.417 1.799) 2.045 6.379 ( 1.778 -1.966 1.381) 2.988 6.443 ( -0.925 -5.648 -1.317) 5.873 6.874 ( 1.647 4.715 5.327) 7.302 7.056 ( 1.645 -1.104 2.164) 2.934 7.270 ( 1.966 -7.018 3.632) 8.143 7.594 ( 0.506 0.107 0.519) 0.733 7.959 ( 0.172 -0.687 -0.124) 0.718 8.034 ( 1.335 -1.766 -0.037) 2.214 8.129 ( -2.951 -0.869 -0.240) 3.086 8.275 ( 2.157 -1.206 2.197) 3.306 8.364 ( 0.777 -1.967 0.482) 2.169 8.584 ( -1.950 -0.745 -3.425) 4.011 8.697 ( -0.140 0.584 0.319) 0.680 8.744 ( -0.491 0.162 -0.894) 1.032 8.820 ( 0.459 0.230 1.180) 1.287 8.826 ( 0.433 0.156 -0.403) 0.612 9.056 ( 0.756 -3.777 -0.286) 3.862 9.070 ( 0.391 -2.207 0.041) 2.241 9.221 ( 0.552 0.389 0.525) 0.855 9.247 ( -0.667 1.173 -0.802) 1.570 9.355 ( 0.820 -2.277 0.713) 2.523 9.415 ( -0.184 -0.474 -0.334) 0.608 9.652 ( 0.074 -0.728 0.011) 0.732 9.862 ( 0.284 -3.552 -0.133) 3.566 9.914 ( 0.536 -2.789 0.086) 2.841 10.101 ( -0.295 -0.895 -0.279) 0.983 10.198 ( 1.099 -5.246 -0.116) 5.361 10.204 ( 0.398 -4.313 -0.069) 4.332 10.697 ( 2.423 -13.458 -0.093) 13.675 10.724 ( 1.161 -11.600 0.030) 11.658 11.219 ( 0.453 -5.016 -0.096) 5.038 11.896 ( 2.330 -6.626 -0.095) 7.025 11.957 ( -1.392 -2.309 -1.106) 2.914 12.150 ( 1.423 -3.240 1.229) 3.746 12.185 ( 0.912 -3.395 0.283) 3.527 12.195 ( -0.709 -4.866 -0.799) 4.982 12.336 ( 0.490 -7.249 -0.671) 7.297 12.352 ( 1.190 -2.952 0.955) 3.323 12.400 ( 0.772 -5.549 0.112) 5.603 12.440 ( -0.613 -2.428 -0.414) 2.538 12.553 ( 0.135 -4.459 -0.243) 4.468 12.555 ( 0.308 -2.016 -0.599) 2.126 12.715 ( 0.790 -0.027 -0.414) 0.892 12.803 ( 0.066 -3.337 0.105) 3.339 12.858 ( 0.249 -0.399 -0.133) 0.489 12.910 ( -0.029 -1.845 0.474) 1.905 13.062 ( 0.542 -1.130 -0.694) 1.432 13.079 ( 0.718 -0.592 0.509) 1.060 13.117 ( -0.748 -0.673 0.339) 1.062 13.218 ( 0.835 -0.317 0.829) 1.219 13.257 ( -0.117 -1.370 -0.486) 1.458 13.450 ( -0.400 -2.907 -0.472) 2.973 13.471 ( 0.952 -1.587 0.564) 1.934 13.535 ( -0.167 1.741 -0.063) 1.750 13.624 ( 0.127 0.753 0.557) 0.945 13.736 ( -0.163 -1.924 0.035) 1.932 13.956 ( -0.614 1.121 -0.239) 1.300 14.115 ( 1.615 0.780 -0.176) 1.802 14.194 ( -1.206 0.343 -0.793) 1.483 14.232 ( -0.291 0.456 -0.649) 0.844 14.312 ( 5.534 1.689 4.622) 7.406 14.451 ( -0.804 -1.079 1.671) 2.146 14.457 ( 0.381 -0.235 1.155) 1.239 14.499 ( -0.463 -0.956 -0.085) 1.066 14.625 ( -2.793 1.415 -2.709) 4.140 14.816 ( -1.770 -1.201 -2.578) 3.351 ======================= Grid point 150 (69/78) ======================= q-point: (-0.12 0.12 -0.50) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( -0.000 21.870 -0.000) 21.870 1.718 ( 0.000 25.647 0.000) 25.647 1.880 ( 0.000 13.618 0.000) 13.618 2.059 ( -0.000 20.530 -0.000) 20.530 2.580 ( -0.000 24.855 0.000) 24.855 2.590 ( 0.000 3.339 -0.000) 3.339 2.665 ( 0.000 4.182 0.000) 4.182 2.738 ( 0.000 4.046 0.000) 4.046 2.868 ( 0.000 6.744 0.000) 6.744 2.951 ( 0.000 31.278 0.000) 31.278 3.008 ( 0.000 4.636 0.000) 4.636 3.117 ( -0.000 9.839 0.000) 9.839 3.185 ( 0.000 8.417 0.000) 8.417 3.223 ( -0.000 19.606 -0.000) 19.606 3.390 ( 0.000 14.861 0.000) 14.861 3.446 ( -0.000 5.457 0.000) 5.457 3.630 ( -0.000 23.559 0.000) 23.559 3.642 ( 0.000 5.707 -0.000) 5.707 3.709 ( -0.000 3.285 0.000) 3.285 3.748 ( 0.000 10.097 0.000) 10.097 3.807 ( -0.000 17.407 0.000) 17.407 3.901 ( 0.000 7.958 0.000) 7.958 3.907 ( -0.000 9.074 0.000) 9.074 3.992 ( 0.000 12.169 0.000) 12.169 4.016 ( -0.000 12.158 0.000) 12.158 4.110 ( 0.000 7.138 0.000) 7.138 4.273 ( -0.000 10.629 0.000) 10.629 4.327 ( 0.000 7.642 0.000) 7.642 4.382 ( -0.000 4.246 -0.000) 4.246 4.394 ( 0.000 2.326 0.000) 2.326 4.504 ( 0.000 4.077 0.000) 4.077 4.621 ( 0.000 0.066 0.000) 0.066 4.753 ( 0.000 -1.460 0.000) 1.460 4.887 ( -0.000 -0.492 0.000) 0.492 5.015 ( 0.000 0.377 0.000) 0.377 5.066 ( -0.000 0.557 0.000) 0.557 5.222 ( -0.000 1.926 0.000) 1.926 5.457 ( 0.000 -0.121 0.000) 0.121 5.557 ( -0.000 -1.480 0.000) 1.480 5.730 ( 0.000 -5.073 0.000) 5.073 5.993 ( -0.000 -3.937 0.000) 3.937 6.183 ( 0.000 -0.655 0.000) 0.655 6.411 ( -0.000 -0.590 0.000) 0.590 6.527 ( 0.000 -4.786 0.000) 4.786 6.818 ( -0.000 3.322 0.000) 3.322 7.062 ( 0.000 0.387 0.000) 0.387 7.412 ( -0.000 -5.724 0.000) 5.724 7.599 ( -0.000 -0.421 0.000) 0.421 7.971 ( 0.000 -0.413 0.000) 0.413 8.079 ( 0.000 -2.154 0.000) 2.154 8.130 ( 0.000 -1.131 0.000) 1.131 8.300 ( 0.000 -0.220 0.000) 0.220 8.413 ( 0.000 -2.587 0.000) 2.587 8.587 ( 0.000 -1.273 0.000) 1.273 8.692 ( -0.000 0.019 0.000) 0.019 8.743 ( 0.000 -0.521 0.000) 0.521 8.816 ( 0.000 0.880 0.000) 0.880 8.819 ( -0.000 0.457 -0.000) 0.457 9.106 ( -0.000 -1.712 0.000) 1.712 9.113 ( 0.000 -2.014 0.000) 2.014 9.222 ( 0.000 0.438 0.000) 0.438 9.225 ( -0.000 0.162 0.000) 0.162 9.404 ( -0.000 -2.410 0.000) 2.410 9.421 ( -0.000 -0.384 0.000) 0.384 9.667 ( 0.000 -0.848 0.000) 0.848 9.928 ( 0.000 -3.424 0.000) 3.424 9.983 ( 0.000 -4.465 0.000) 4.465 10.100 ( 0.000 0.208 0.000) 0.208 10.216 ( 0.000 -1.071 0.000) 1.071 10.380 ( 0.000 -9.377 0.000) 9.377 10.945 ( -0.000 -12.222 0.000) 12.222 10.968 ( 0.000 -14.230 0.000) 14.230 11.327 ( -0.000 -6.600 0.000) 6.600 11.965 ( 0.000 -0.678 0.000) 0.678 12.055 ( -0.000 -8.084 0.000) 8.084 12.231 ( 0.000 -2.891 0.000) 2.891 12.236 ( -0.000 -5.322 -0.000) 5.322 12.321 ( 0.000 -6.895 0.000) 6.895 12.405 ( -0.000 -3.271 0.000) 3.271 12.459 ( 0.000 -5.759 0.000) 5.759 12.484 ( 0.000 -3.595 0.000) 3.595 12.522 ( 0.000 -4.848 0.000) 4.848 12.601 ( 0.000 -3.034 0.000) 3.034 12.656 ( 0.000 -7.091 0.000) 7.091 12.717 ( -0.000 -0.689 0.000) 0.689 12.843 ( 0.000 -0.968 0.000) 0.968 12.907 ( -0.000 -4.562 0.000) 4.562 12.937 ( 0.000 -1.079 -0.000) 1.079 13.086 ( -0.000 -0.867 0.000) 0.867 13.095 ( 0.000 -1.061 0.000) 1.061 13.132 ( -0.000 -1.409 0.000) 1.409 13.231 ( 0.000 -0.539 0.000) 0.539 13.288 ( -0.000 -2.172 0.000) 2.172 13.495 ( 0.000 -0.262 0.000) 0.262 13.497 ( -0.000 2.013 0.000) 2.013 13.513 ( 0.000 -3.966 -0.000) 3.966 13.600 ( 0.000 2.014 0.000) 2.014 13.756 ( 0.000 -0.188 0.000) 0.188 13.938 ( -0.000 0.982 0.000) 0.982 14.105 ( -0.000 1.703 0.000) 1.703 14.159 ( 0.000 1.860 0.000) 1.860 14.228 ( 0.000 -0.376 0.000) 0.376 14.333 ( -0.000 1.651 0.000) 1.651 14.449 ( 0.000 -1.401 0.000) 1.401 14.478 ( 0.000 -0.556 0.000) 0.556 14.514 ( 0.000 -1.182 0.000) 1.182 14.598 ( 0.000 -0.129 0.000) 0.129 14.833 ( -0.000 -2.235 0.000) 2.235 ======================= Grid point 154 (70/78) ======================= q-point: ( 0.25 0.25 -0.50) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 24.527 0.000 -11.628) 27.143 1.594 ( 25.552 0.000 -16.069) 30.185 1.813 ( 13.949 0.000 17.085) 22.056 2.045 ( 4.380 0.000 15.865) 16.459 2.244 ( 22.084 0.000 -16.626) 27.643 2.500 ( 6.726 0.000 -0.774) 6.771 2.636 ( 11.705 0.000 -3.545) 12.230 2.825 ( 0.188 0.000 -1.872) 1.881 2.873 ( 4.271 0.000 2.505) 4.951 2.928 ( 0.538 0.000 -1.442) 1.539 2.976 ( 15.714 0.000 -1.468) 15.783 3.134 ( 2.535 0.000 -3.607) 4.409 3.164 ( 9.285 0.000 -2.780) 9.692 3.239 ( 5.129 0.000 -1.401) 5.317 3.261 ( 6.392 0.000 2.475) 6.854 3.318 ( 3.264 0.000 3.162) 4.544 3.481 ( 9.914 0.000 4.265) 10.792 3.546 ( 7.126 0.000 8.915) 11.413 3.574 ( 10.574 0.000 3.143) 11.031 3.633 ( 0.084 0.000 0.591) 0.597 3.677 ( 11.626 0.000 3.670) 12.192 3.789 ( 7.691 0.000 -4.093) 8.713 3.935 ( 4.724 0.000 -1.490) 4.953 3.983 ( 1.429 0.000 -1.403) 2.003 4.035 ( 8.300 0.000 -2.562) 8.686 4.154 ( 8.813 0.000 -0.278) 8.817 4.193 ( 5.437 0.000 -2.450) 5.963 4.242 ( 10.283 0.000 -4.530) 11.236 4.423 ( -1.508 -0.000 -9.626) 9.743 4.451 ( 7.408 0.000 0.940) 7.467 4.563 ( 11.587 0.000 7.179) 13.630 4.799 ( 10.211 0.000 4.876) 11.315 4.901 ( 0.857 0.000 0.744) 1.135 5.066 ( -2.294 -0.000 0.273) 2.310 5.123 ( 5.708 0.000 1.859) 6.003 5.390 ( 1.052 0.000 9.613) 9.671 5.446 ( 1.376 0.000 -7.469) 7.595 5.531 ( 5.579 0.000 5.917) 8.132 5.632 ( 8.230 0.000 14.720) 16.865 5.822 ( -9.958 -0.000 -13.138) 16.485 6.051 ( 3.643 0.000 7.030) 7.918 6.113 ( 0.401 0.000 -0.124) 0.420 6.400 ( 1.249 0.000 -1.858) 2.239 6.586 ( -5.706 -0.000 -6.457) 8.617 6.832 ( 7.375 0.000 6.040) 9.532 7.010 ( 0.707 0.000 -2.156) 2.269 7.114 ( -10.239 -0.000 -14.392) 17.663 7.670 ( 2.550 0.000 1.566) 2.992 7.959 ( -0.377 -0.000 0.379) 0.534 8.092 ( 0.138 0.000 -1.123) 1.132 8.197 ( 2.348 0.000 -0.133) 2.352 8.321 ( -0.227 -0.000 1.873) 1.887 8.422 ( -2.175 -0.000 0.379) 2.208 8.638 ( -0.241 -0.000 1.860) 1.876 8.692 ( 0.242 0.000 -1.121) 1.147 8.745 ( -2.366 -0.000 -0.974) 2.558 8.772 ( -0.587 -0.000 -0.308) 0.663 8.812 ( 0.477 0.000 2.141) 2.194 9.047 ( -2.973 -0.000 0.633) 3.040 9.108 ( -1.528 -0.000 -0.839) 1.743 9.196 ( 0.908 0.000 -0.221) 0.935 9.263 ( -0.288 -0.000 -0.140) 0.320 9.390 ( -1.753 -0.000 -0.947) 1.992 9.458 ( -0.009 -0.000 0.509) 0.509 9.671 ( -0.909 -0.000 0.272) 0.949 9.949 ( -3.233 -0.000 -1.066) 3.404 9.976 ( -2.482 -0.000 1.135) 2.730 10.129 ( 0.743 0.000 -0.148) 0.758 10.228 ( -0.323 -0.000 0.045) 0.326 10.388 ( -9.504 -0.000 1.358) 9.601 10.898 ( -11.212 -0.000 -0.087) 11.212 11.023 ( -10.379 -0.000 0.209) 10.381 11.371 ( -3.394 -0.000 -0.256) 3.404 11.898 ( -4.754 -0.000 1.629) 5.025 12.046 ( -6.898 -0.000 0.052) 6.898 12.292 ( 0.485 0.000 -1.046) 1.153 12.311 ( -1.974 -0.000 -1.702) 2.607 12.356 ( -1.383 -0.000 0.473) 1.462 12.442 ( -4.180 -0.000 0.420) 4.201 12.488 ( -5.733 -0.000 0.756) 5.782 12.514 ( -2.799 -0.000 -0.149) 2.803 12.544 ( -2.832 -0.000 0.228) 2.841 12.548 ( -1.470 -0.000 0.321) 1.505 12.651 ( -1.808 -0.000 0.951) 2.043 12.716 ( -4.608 -0.000 -1.369) 4.807 12.751 ( -6.431 -0.000 -0.497) 6.451 12.758 ( -7.287 -0.000 0.307) 7.294 12.955 ( -0.505 -0.000 -0.310) 0.593 13.124 ( -0.839 -0.000 0.014) 0.839 13.128 ( -0.098 -0.000 0.405) 0.417 13.144 ( -0.874 -0.000 0.009) 0.874 13.235 ( 1.604 0.000 -1.166) 1.984 13.326 ( -1.467 -0.000 0.152) 1.475 13.424 ( -1.667 -0.000 0.092) 1.670 13.484 ( 0.224 0.000 1.869) 1.883 13.540 ( -0.067 -0.000 -0.858) 0.860 13.585 ( -4.935 -0.000 -0.500) 4.961 13.589 ( -0.604 -0.000 -0.615) 0.862 13.829 ( -0.557 -0.000 -0.376) 0.672 14.024 ( -0.614 -0.000 -0.248) 0.662 14.181 ( 1.520 0.000 -2.506) 2.931 14.328 ( 6.256 0.000 4.699) 7.824 14.341 ( -0.853 -0.000 -4.479) 4.559 14.407 ( 3.830 0.000 5.012) 6.308 14.489 ( -2.077 -0.000 0.246) 2.091 14.540 ( -1.514 -0.000 0.299) 1.543 14.802 ( 4.884 0.000 -1.505) 5.111 14.982 ( 1.283 0.000 -0.637) 1.433 ======================= Grid point 155 (71/78) ======================= q-point: ( 0.38 0.25 -0.50) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( 21.735 -4.571 -12.816) 25.643 1.962 ( 24.602 -10.899 -3.279) 27.107 2.112 ( -2.842 -4.741 8.903) 10.480 2.200 ( 9.545 -17.924 11.277) 23.228 2.484 ( 9.957 -13.664 -8.358) 18.860 2.588 ( 8.520 -1.559 5.949) 10.508 2.802 ( 2.577 1.175 -1.758) 3.333 2.897 ( 8.372 -13.765 -1.123) 16.150 2.972 ( 0.711 -2.251 -3.376) 4.120 3.050 ( 4.291 -0.247 0.508) 4.328 3.096 ( 3.181 -13.744 1.367) 14.173 3.262 ( 7.951 -9.763 -6.961) 14.387 3.339 ( 9.565 -6.322 -0.653) 11.484 3.358 ( 5.887 -3.391 2.611) 7.278 3.395 ( 2.101 -13.479 3.750) 14.148 3.431 ( 3.156 -9.223 -2.046) 9.961 3.516 ( 1.254 0.028 10.071) 10.149 3.679 ( 9.845 -4.155 -1.018) 10.734 3.703 ( 3.412 -2.635 2.930) 5.213 3.740 ( 3.331 -5.427 1.621) 6.571 3.805 ( 8.108 -0.351 1.138) 8.195 3.918 ( 5.532 -5.095 0.018) 7.521 3.965 ( 3.424 -3.946 0.220) 5.229 3.997 ( 11.106 0.759 0.339) 11.137 4.177 ( 5.079 -4.739 -3.973) 8.002 4.234 ( 5.284 2.016 -4.671) 7.335 4.251 ( 5.962 -1.699 -2.422) 6.656 4.339 ( 11.388 -1.025 -3.062) 11.837 4.405 ( 8.056 0.932 3.359) 8.778 4.543 ( 8.112 -1.592 2.555) 8.653 4.742 ( 12.379 -2.797 1.689) 12.802 4.890 ( 2.103 1.535 1.737) 3.130 4.915 ( 2.126 -2.119 1.951) 3.580 5.062 ( -1.460 -1.117 0.620) 1.940 5.189 ( 5.995 -0.333 -1.387) 6.163 5.374 ( -4.580 -0.955 -0.080) 4.680 5.429 ( 0.923 0.649 -6.299) 6.400 5.561 ( 4.456 4.208 4.262) 7.465 5.648 ( -11.738 -0.205 -18.415) 21.839 5.776 ( 5.384 -0.192 11.813) 12.984 6.046 ( -0.228 4.542 3.079) 5.492 6.165 ( 7.043 -0.237 7.864) 10.559 6.391 ( 0.622 1.484 -5.879) 6.096 6.519 ( -5.255 -0.238 0.984) 5.352 6.779 ( -5.153 5.858 -14.163) 16.170 7.042 ( 2.288 1.681 6.959) 7.516 7.060 ( 3.172 -3.436 1.235) 4.837 7.690 ( 2.620 1.348 1.209) 3.185 7.955 ( -0.551 0.045 0.328) 0.643 8.081 ( 0.648 1.313 -0.544) 1.562 8.220 ( 1.840 0.401 -0.080) 1.885 8.310 ( 0.277 1.285 1.042) 1.677 8.385 ( -2.770 1.371 0.173) 3.096 8.638 ( -0.495 0.316 1.211) 1.346 8.681 ( -1.457 -0.098 -0.953) 1.744 8.729 ( -2.041 -1.077 -1.008) 2.518 8.765 ( -0.546 -0.017 -0.173) 0.573 8.820 ( 1.201 0.718 1.519) 2.065 9.019 ( -2.908 0.182 0.797) 3.021 9.086 ( -1.302 0.530 -0.885) 1.661 9.211 ( 1.804 -0.218 0.078) 1.819 9.251 ( -0.687 0.633 -0.479) 1.050 9.360 ( -1.788 0.952 -0.448) 2.075 9.447 ( -0.714 0.864 -0.258) 1.151 9.657 ( -1.150 0.487 0.520) 1.353 9.896 ( -3.346 1.430 -0.959) 3.763 9.946 ( -1.176 1.717 1.001) 2.309 10.130 ( -0.316 0.116 -0.357) 0.491 10.220 ( -0.397 0.791 0.334) 0.946 10.255 ( -8.572 4.083 0.382) 9.503 10.750 ( -9.157 4.475 0.121) 10.193 10.859 ( -10.053 6.313 -0.009) 11.871 11.307 ( -2.686 3.393 -0.013) 4.327 11.860 ( -4.602 -0.477 0.508) 4.654 11.955 ( -6.350 2.127 -0.086) 6.697 12.231 ( -0.264 3.823 -0.990) 3.958 12.296 ( -1.097 3.074 0.209) 3.270 12.337 ( -0.922 -0.381 -0.777) 1.264 12.354 ( -4.561 4.189 0.663) 6.228 12.419 ( -4.273 2.824 -0.462) 5.143 12.458 ( -3.063 2.384 -0.559) 3.921 12.478 ( -2.069 1.298 0.278) 2.458 12.592 ( -1.153 -2.881 1.128) 3.302 12.607 ( -3.093 4.375 0.441) 5.376 12.634 ( -3.977 3.438 -1.128) 5.377 12.673 ( -6.344 -1.636 -0.250) 6.556 12.730 ( -2.851 -2.290 0.381) 3.677 12.942 ( -0.617 0.653 -0.302) 0.947 13.102 ( -0.674 1.302 -0.406) 1.522 13.118 ( 0.110 1.150 0.695) 1.348 13.138 ( -0.102 0.044 -0.262) 0.284 13.243 ( 0.974 0.824 0.224) 1.295 13.288 ( -1.469 1.875 -1.026) 2.593 13.408 ( -1.030 0.375 0.578) 1.240 13.503 ( -0.455 -1.583 2.227) 2.769 13.551 ( -1.474 1.136 -0.602) 1.956 13.559 ( -0.164 -2.064 -0.553) 2.143 13.573 ( -2.563 -1.109 -0.798) 2.904 13.861 ( 0.410 -3.394 0.426) 3.446 14.029 ( -0.718 -1.511 -0.905) 1.902 14.191 ( 2.088 0.200 -1.816) 2.775 14.303 ( -0.789 1.653 -3.525) 3.972 14.405 ( 5.929 0.408 5.854) 8.342 14.439 ( 2.619 2.536 4.499) 5.790 14.471 ( -0.872 0.176 1.334) 1.603 14.519 ( -1.191 0.799 0.600) 1.555 14.821 ( 2.577 1.198 -3.534) 4.535 14.965 ( 0.101 2.106 -2.187) 3.038 ======================= Grid point 156 (72/78) ======================= q-point: ( 0.50 0.25 -0.50) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( 15.657 -8.489 -11.671) 21.294 2.174 ( -2.041 -5.356 8.620) 10.352 2.322 ( 12.673 -5.411 -0.340) 13.784 2.529 ( 5.088 -8.528 2.361) 10.207 2.645 ( 2.928 2.900 2.447) 4.793 2.814 ( 8.361 -2.891 12.497) 15.312 2.905 ( -0.330 -2.062 -6.854) 7.165 3.043 ( 4.085 -18.395 -4.611) 19.399 3.093 ( 4.923 -3.563 2.042) 6.411 3.160 ( 5.039 -4.958 1.163) 7.164 3.259 ( 8.644 2.966 -3.414) 9.755 3.450 ( 4.792 -3.469 0.796) 5.969 3.470 ( 2.625 2.178 4.987) 6.042 3.534 ( -0.119 -8.161 -3.121) 8.738 3.604 ( -1.358 -10.604 0.813) 10.721 3.608 ( 2.260 -6.652 3.369) 7.791 3.742 ( -0.662 -7.404 2.362) 7.800 3.771 ( 1.565 -11.937 5.577) 13.269 3.798 ( 2.192 -6.204 -1.131) 6.676 3.910 ( 4.141 -5.074 1.362) 6.689 3.924 ( 2.917 -14.760 -2.052) 15.185 4.079 ( 3.042 -9.588 3.985) 10.820 4.139 ( 10.622 -4.882 -4.701) 12.600 4.160 ( 3.573 -1.972 -1.319) 4.289 4.163 ( -0.716 -6.461 2.061) 6.820 4.307 ( 3.662 -3.478 -3.783) 6.310 4.383 ( 4.370 -4.598 -1.252) 6.465 4.461 ( 6.045 1.188 5.823) 8.477 4.509 ( 11.116 -3.452 -1.635) 11.753 4.690 ( 7.552 -3.725 3.347) 9.062 4.847 ( -1.349 1.066 -2.818) 3.301 4.866 ( 7.490 1.433 -1.304) 7.736 4.965 ( -3.546 -0.574 -4.394) 5.675 5.068 ( 2.445 -1.451 4.466) 5.295 5.203 ( -2.841 -0.292 -5.273) 5.997 5.390 ( -2.179 -3.871 -1.070) 4.569 5.403 ( 2.711 3.795 1.007) 4.771 5.457 ( -6.095 5.061 -8.730) 11.788 5.552 ( 1.451 -0.310 -5.661) 5.852 5.807 ( -1.613 1.858 2.342) 3.397 5.913 ( -3.897 8.308 -1.548) 9.306 6.257 ( 4.172 0.673 8.555) 9.542 6.323 ( -1.118 2.809 -6.518) 7.185 6.421 ( -5.761 6.145 -8.547) 12.000 6.676 ( 2.455 -2.593 4.087) 5.427 7.053 ( 1.897 1.610 4.335) 4.999 7.168 ( 5.638 -0.709 6.005) 8.267 7.681 ( 2.035 2.684 1.165) 3.564 7.949 ( -0.618 0.083 -0.015) 0.624 8.057 ( 1.195 2.224 -0.642) 2.605 8.198 ( -0.573 2.701 1.082) 2.965 8.296 ( -1.136 1.340 -0.773) 1.920 8.338 ( 0.061 1.117 0.880) 1.423 8.616 ( -1.502 0.932 -0.511) 1.840 8.680 ( -1.133 -1.589 -0.947) 2.169 8.735 ( -1.315 -1.976 -0.493) 2.424 8.760 ( -0.586 -0.103 -0.293) 0.663 8.820 ( 0.980 0.938 1.144) 1.775 8.983 ( -2.568 0.830 0.139) 2.703 9.061 ( -0.626 0.925 -0.296) 1.155 9.222 ( 0.246 0.770 -0.608) 1.012 9.251 ( 1.680 -1.144 0.785) 2.179 9.323 ( -1.381 1.306 -0.121) 1.904 9.420 ( -1.058 0.642 -0.906) 1.534 9.640 ( -0.765 0.365 0.536) 1.003 9.840 ( -1.708 1.617 -0.423) 2.390 9.905 ( -0.654 1.956 0.326) 2.088 10.074 ( -6.162 3.779 0.028) 7.228 10.137 ( -0.128 1.197 -0.358) 1.256 10.214 ( 0.203 0.734 0.283) 0.812 10.590 ( -4.651 5.536 0.086) 7.231 10.646 ( -6.736 7.031 -0.055) 9.737 11.218 ( -1.648 3.849 -0.021) 4.187 11.808 ( -2.388 2.443 -0.109) 3.418 11.887 ( -4.612 -1.426 -0.398) 4.844 12.169 ( 0.865 3.392 -0.407) 3.524 12.215 ( -1.312 3.967 -0.195) 4.182 12.250 ( -1.156 4.301 1.595) 4.731 12.306 ( -0.516 3.917 -1.672) 4.290 12.332 ( -2.432 1.640 0.456) 2.969 12.383 ( -3.045 2.250 -0.347) 3.802 12.448 ( -2.864 3.005 1.133) 4.303 12.456 ( -1.796 2.863 -1.714) 3.789 12.570 ( -1.616 1.763 -0.144) 2.396 12.642 ( -0.025 -2.485 0.012) 2.485 12.657 ( -4.418 -2.677 0.092) 5.167 12.766 ( -0.963 -3.427 0.438) 3.587 12.919 ( -0.544 1.145 -0.209) 1.285 13.074 ( -0.111 1.085 -0.564) 1.228 13.099 ( 0.556 1.733 0.848) 2.008 13.132 ( -0.227 0.481 -0.315) 0.618 13.223 ( -0.885 1.015 0.872) 1.605 13.254 ( 0.642 1.211 -1.070) 1.739 13.398 ( -0.464 0.005 0.718) 0.855 13.498 ( -0.494 3.045 -0.727) 3.170 13.538 ( 0.008 -1.597 2.226) 2.740 13.582 ( -1.927 -2.597 -0.830) 3.339 13.593 ( -0.880 -2.418 -0.222) 2.583 13.938 ( 0.705 -3.962 0.558) 4.063 14.053 ( -0.581 -2.296 -1.086) 2.605 14.201 ( 2.038 0.878 -1.338) 2.591 14.256 ( -0.221 1.635 -1.929) 2.538 14.410 ( -0.267 2.363 2.143) 3.201 14.458 ( 2.641 1.303 3.250) 4.385 14.472 ( 3.271 1.638 5.222) 6.376 14.497 ( -0.544 1.070 1.222) 1.713 14.791 ( 0.122 2.348 -4.348) 4.944 14.904 ( -1.037 3.156 -3.247) 4.645 ======================= Grid point 157 (73/78) ======================= q-point: ( 0.62 0.25 -0.50) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.255 ( 3.312 -2.345 0.324) 4.071 2.291 ( 0.680 -8.114 -4.557) 9.331 2.471 ( 4.311 -2.432 1.412) 5.147 2.581 ( 8.722 7.055 11.210) 15.859 2.612 ( -0.385 3.928 -0.305) 3.959 2.823 ( -6.064 1.787 -10.149) 11.956 2.982 ( 3.374 -4.873 8.383) 10.267 3.059 ( 2.399 13.686 -2.256) 14.077 3.210 ( 10.260 -0.075 2.561) 10.575 3.283 ( 8.386 2.095 0.879) 8.689 3.347 ( 1.385 7.745 1.985) 8.115 3.382 ( 2.314 6.169 -2.473) 7.037 3.485 ( 0.790 3.830 2.914) 4.876 3.554 ( -3.893 2.972 0.114) 4.899 3.613 ( -1.849 -7.039 -5.878) 9.355 3.771 ( -3.185 -12.383 1.412) 12.863 3.890 ( 4.856 -3.100 4.893) 7.558 3.980 ( 3.155 -4.494 -1.775) 5.771 4.024 ( -0.344 -13.381 2.337) 13.588 4.063 ( -2.172 -11.446 1.477) 11.743 4.159 ( -2.814 -4.862 -1.475) 5.808 4.218 ( 0.082 -8.015 0.559) 8.035 4.247 ( 4.508 -1.882 5.941) 7.692 4.293 ( 1.813 -4.881 1.084) 5.318 4.364 ( 3.586 -8.114 -1.525) 9.002 4.386 ( 3.362 4.057 3.927) 6.572 4.400 ( -3.157 -7.774 -2.953) 8.896 4.505 ( -2.105 0.006 -2.065) 2.949 4.577 ( 5.182 5.387 3.353) 8.192 4.775 ( -7.109 1.050 -11.381) 13.459 4.831 ( 2.595 -1.169 -0.098) 2.848 4.843 ( 1.516 -2.196 -1.120) 2.893 4.945 ( 3.980 4.045 -1.137) 5.788 5.115 ( 0.627 5.396 4.796) 7.247 5.127 ( -3.464 1.757 -2.612) 4.680 5.285 ( -0.618 8.522 1.469) 8.669 5.359 ( 2.670 4.287 6.901) 8.551 5.414 ( -2.767 -1.647 -7.936) 8.565 5.541 ( -6.151 0.869 -14.887) 16.131 5.706 ( -0.548 2.914 0.445) 2.998 5.755 ( -2.116 3.081 -1.201) 3.925 6.230 ( -1.775 4.717 2.592) 5.668 6.272 ( -2.397 -1.879 1.429) 3.364 6.327 ( 2.937 0.039 -5.226) 5.995 6.841 ( 4.825 -7.259 6.381) 10.802 7.049 ( 1.880 2.189 4.887) 5.676 7.199 ( 0.871 2.354 0.220) 2.519 7.651 ( 1.316 2.977 1.225) 3.478 7.943 ( -0.342 -0.142 -0.166) 0.405 8.031 ( 1.239 1.730 -0.700) 2.240 8.145 ( -1.468 2.219 0.615) 2.730 8.253 ( -1.002 0.729 1.374) 1.850 8.344 ( 1.348 0.288 0.006) 1.379 8.581 ( -1.678 0.715 -1.950) 2.670 8.697 ( -0.477 -1.202 -0.390) 1.351 8.754 ( -0.671 -0.012 0.113) 0.680 8.770 ( -0.217 -2.844 -0.627) 2.920 8.819 ( 0.351 0.171 0.763) 0.857 8.957 ( -0.894 -0.464 -0.368) 1.072 9.042 ( 0.011 0.749 0.092) 0.755 9.214 ( 0.071 -0.056 -0.416) 0.426 9.291 ( -0.090 0.961 0.124) 0.973 9.300 ( 0.993 -1.529 0.759) 1.975 9.404 ( -0.671 -0.134 -0.639) 0.936 9.635 ( -0.151 -0.193 0.197) 0.315 9.809 ( -0.440 0.518 -0.108) 0.688 9.876 ( -0.262 0.678 -0.004) 0.727 9.988 ( -1.826 0.415 -0.086) 1.874 10.127 ( -0.070 0.185 -0.173) 0.263 10.205 ( 0.127 0.592 0.159) 0.626 10.477 ( -1.531 2.476 -0.046) 2.911 10.535 ( -1.631 0.778 0.025) 1.807 11.156 ( -0.562 1.583 -0.094) 1.683 11.765 ( -0.504 0.140 -0.064) 0.527 11.890 ( -1.788 -2.233 -0.575) 2.918 12.120 ( 0.757 2.676 -0.042) 2.781 12.153 ( -0.621 1.800 -0.341) 1.934 12.195 ( 0.928 3.097 0.950) 3.370 12.250 ( -0.140 1.603 -0.065) 1.610 12.266 ( -0.921 1.499 -0.075) 1.761 12.332 ( -1.990 0.525 -0.085) 2.060 12.402 ( 0.952 -0.479 -0.438) 1.152 12.439 ( -2.309 -1.082 -0.115) 2.553 12.534 ( -0.644 0.777 -0.268) 1.045 12.675 ( -1.162 -2.619 -0.031) 2.865 12.684 ( -0.423 -2.608 -0.345) 2.664 12.821 ( -0.057 -3.195 0.363) 3.216 12.892 ( -0.397 1.322 -0.014) 1.381 13.061 ( 0.484 0.519 -0.377) 0.804 13.077 ( 0.329 1.248 0.244) 1.313 13.117 ( -0.525 0.557 0.025) 0.766 13.215 ( -0.474 -0.478 0.855) 1.088 13.240 ( 0.746 0.973 -0.476) 1.315 13.408 ( 0.070 -1.172 0.632) 1.334 13.443 ( -0.387 2.235 -0.706) 2.375 13.562 ( 0.149 -0.360 0.974) 1.049 13.612 ( 0.258 -1.393 -0.002) 1.416 13.628 ( -1.665 -3.557 -0.170) 3.931 13.988 ( 0.003 -0.725 0.070) 0.728 14.087 ( -0.076 -2.188 -0.577) 2.264 14.191 ( 0.720 0.563 -1.158) 1.475 14.247 ( 0.987 0.174 -0.153) 1.013 14.383 ( 0.707 1.375 1.771) 2.351 14.444 ( 0.423 2.052 1.767) 2.741 14.478 ( -0.849 0.309 0.190) 0.923 14.498 ( 3.063 1.797 4.343) 5.610 14.720 ( -1.366 3.419 -3.206) 4.882 14.831 ( -1.311 2.212 -2.900) 3.875 ======================= Grid point 158 (74/78) ======================= q-point: (-0.25 0.25 -0.50) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( 0.000 6.782 0.000) 6.782 2.321 ( -0.000 6.855 -0.000) 6.855 2.467 ( -0.000 9.211 -0.000) 9.211 2.541 ( 0.000 4.590 0.000) 4.590 2.581 ( -0.000 1.767 0.000) 1.767 2.695 ( -0.000 5.407 -0.000) 5.407 2.837 ( 0.000 5.704 0.000) 5.704 3.045 ( 0.000 6.186 0.000) 6.186 3.136 ( -0.000 12.049 -0.000) 12.049 3.168 ( 0.000 5.687 0.000) 5.687 3.268 ( -0.000 1.161 0.000) 1.161 3.354 ( -0.000 0.872 0.000) 0.872 3.462 ( 0.000 2.411 0.000) 2.411 3.523 ( -0.000 1.137 -0.000) 1.137 3.579 ( -0.000 0.868 0.000) 0.868 3.918 ( -0.000 -0.449 0.000) 0.449 3.952 ( 0.000 6.006 0.000) 6.006 3.956 ( -0.000 1.374 -0.000) 1.374 4.109 ( -0.000 5.207 0.000) 5.207 4.155 ( 0.000 10.555 0.000) 10.555 4.213 ( 0.000 3.406 0.000) 3.406 4.228 ( -0.000 10.482 -0.000) 10.482 4.245 ( 0.000 -0.818 0.000) 0.818 4.263 ( 0.000 0.155 0.000) 0.155 4.306 ( -0.000 1.611 0.000) 1.611 4.364 ( -0.000 2.280 0.000) 2.280 4.508 ( -0.000 4.539 -0.000) 4.539 4.517 ( 0.000 -2.119 0.000) 2.119 4.644 ( 0.000 -9.816 0.000) 9.816 4.663 ( 0.000 6.771 0.000) 6.771 4.736 ( -0.000 15.949 0.000) 15.949 4.782 ( -0.000 5.906 0.000) 5.906 4.889 ( 0.000 11.936 0.000) 11.936 4.932 ( -0.000 2.800 -0.000) 2.800 5.055 ( 0.000 6.669 0.000) 6.669 5.164 ( 0.000 6.757 0.000) 6.757 5.317 ( -0.000 -2.303 0.000) 2.303 5.356 ( 0.000 5.504 0.000) 5.504 5.507 ( 0.000 -5.880 0.000) 5.880 5.675 ( 0.000 3.603 0.000) 3.603 5.789 ( 0.000 -6.516 0.000) 6.516 6.176 ( 0.000 1.424 0.000) 1.424 6.334 ( 0.000 -5.656 -0.000) 5.656 6.357 ( -0.000 -1.967 0.000) 1.967 6.958 ( -0.000 0.403 0.000) 0.403 7.065 ( 0.000 -0.112 0.000) 0.112 7.166 ( -0.000 -3.102 0.000) 3.102 7.616 ( -0.000 1.870 0.000) 1.870 7.948 ( 0.000 -0.557 0.000) 0.557 8.023 ( 0.000 -0.242 0.000) 0.242 8.109 ( 0.000 0.630 0.000) 0.630 8.266 ( 0.000 -1.526 0.000) 1.526 8.349 ( -0.000 -0.309 0.000) 0.309 8.558 ( -0.000 0.055 0.000) 0.055 8.704 ( -0.000 0.071 -0.000) 0.071 8.746 ( 0.000 0.423 0.000) 0.423 8.813 ( -0.000 -1.759 0.000) 1.759 8.825 ( 0.000 -0.287 -0.000) 0.287 8.989 ( 0.000 -3.523 0.000) 3.523 9.043 ( 0.000 -0.931 0.000) 0.931 9.221 ( 0.000 -0.525 0.000) 0.525 9.269 ( -0.000 1.369 0.000) 1.369 9.332 ( 0.000 -1.197 0.000) 1.197 9.406 ( -0.000 -0.406 0.000) 0.406 9.642 ( 0.000 -0.516 0.000) 0.516 9.816 ( 0.000 -1.638 0.000) 1.638 9.879 ( 0.000 -1.254 0.000) 1.254 10.030 ( 0.000 -5.567 0.000) 5.567 10.128 ( 0.000 -0.638 0.000) 0.638 10.199 ( 0.000 0.138 0.000) 0.138 10.512 ( -0.000 -7.399 0.000) 7.399 10.574 ( 0.000 -5.903 0.000) 5.903 11.157 ( -0.000 -1.994 0.000) 1.994 11.801 ( 0.000 -4.427 0.000) 4.427 11.916 ( -0.000 -1.810 0.000) 1.810 12.114 ( 0.000 -1.783 0.000) 1.783 12.137 ( -0.000 -0.229 0.000) 0.229 12.171 ( 0.000 0.173 0.000) 0.173 12.240 ( -0.000 -2.711 0.000) 2.711 12.308 ( -0.000 -4.236 -0.000) 4.236 12.326 ( 0.000 -1.209 0.000) 1.209 12.418 ( -0.000 -0.417 0.000) 0.417 12.472 ( -0.000 -4.110 0.000) 4.110 12.532 ( 0.000 -0.795 0.000) 0.795 12.707 ( 0.000 -1.248 0.000) 1.248 12.735 ( -0.000 -3.787 0.000) 3.787 12.868 ( 0.000 1.081 -0.000) 1.081 12.872 ( -0.000 -2.519 0.000) 2.519 13.056 ( 0.000 0.199 0.000) 0.199 13.074 ( -0.000 -0.482 0.000) 0.482 13.108 ( -0.000 0.114 0.000) 0.114 13.228 ( -0.000 0.599 0.000) 0.599 13.232 ( -0.000 -1.280 0.000) 1.280 13.419 ( -0.000 -0.163 0.000) 0.163 13.441 ( 0.000 -2.163 0.000) 2.163 13.559 ( -0.000 0.933 -0.000) 0.933 13.629 ( 0.000 -0.394 0.000) 0.394 13.683 ( 0.000 -3.524 0.000) 3.524 13.975 ( -0.000 1.428 0.000) 1.428 14.118 ( -0.000 -1.181 0.000) 1.181 14.192 ( 0.000 -0.086 0.000) 0.086 14.245 ( -0.000 0.736 0.000) 0.736 14.396 ( 0.000 -0.969 0.000) 0.969 14.401 ( -0.000 2.561 -0.000) 2.561 14.478 ( -0.000 -0.836 0.000) 0.836 14.492 ( 0.000 1.372 -0.000) 1.372 14.646 ( 0.000 3.088 0.000) 3.088 14.795 ( -0.000 0.465 0.000) 0.465 ======================= Grid point 164 (75/78) ======================= q-point: ( 0.38 0.38 -0.50) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( 15.643 0.000 -9.490) 18.297 1.982 ( 17.935 0.000 -10.499) 20.782 2.084 ( -2.562 -0.000 9.751) 10.082 2.154 ( 10.233 0.000 11.747) 15.579 2.443 ( 5.306 0.000 -4.508) 6.962 2.688 ( 6.967 0.000 7.792) 10.453 2.812 ( 7.102 0.000 -3.765) 8.038 2.875 ( 2.849 0.000 4.952) 5.713 2.903 ( -0.926 -0.000 -2.713) 2.867 2.978 ( 4.199 0.000 2.509) 4.891 3.033 ( -4.334 -0.000 -7.220) 8.421 3.233 ( -0.423 -0.000 5.662) 5.678 3.271 ( 1.397 0.000 -2.948) 3.263 3.327 ( 9.478 0.000 1.439) 9.586 3.437 ( 6.501 0.000 -2.289) 6.893 3.460 ( 12.107 0.000 1.943) 12.262 3.589 ( 2.869 0.000 10.864) 11.236 3.624 ( -1.012 -0.000 0.455) 1.109 3.750 ( 5.238 0.000 -3.829) 6.489 3.794 ( 7.572 0.000 3.345) 8.278 3.865 ( 2.458 0.000 5.564) 6.083 3.935 ( 10.277 0.000 -1.400) 10.372 4.019 ( 2.439 0.000 -0.554) 2.501 4.108 ( 9.351 0.000 -1.604) 9.487 4.185 ( 8.980 0.000 0.832) 9.019 4.243 ( 3.352 0.000 -3.142) 4.595 4.329 ( 1.658 0.000 -7.520) 7.701 4.451 ( 14.474 0.000 -0.159) 14.475 4.541 ( 12.181 0.000 8.540) 14.876 4.590 ( 5.525 0.000 -0.554) 5.552 4.841 ( 11.439 0.000 1.884) 11.593 4.875 ( -2.978 -0.000 -6.407) 7.065 4.958 ( 1.149 0.000 7.557) 7.644 5.050 ( 0.503 0.000 0.245) 0.560 5.223 ( 2.977 0.000 -7.586) 8.149 5.305 ( -6.799 -0.000 4.044) 7.911 5.452 ( -12.867 -0.000 -20.390) 24.111 5.455 ( 5.876 0.000 -5.246) 7.877 5.657 ( 4.196 0.000 3.412) 5.408 5.815 ( -0.518 -0.000 4.458) 4.487 6.091 ( -1.549 -0.000 0.229) 1.566 6.274 ( 6.214 0.000 9.719) 11.535 6.375 ( -0.360 -0.000 -10.909) 10.915 6.513 ( 1.117 0.000 11.296) 11.351 6.692 ( -10.123 -0.000 -16.137) 19.049 7.033 ( 1.956 0.000 -0.748) 2.095 7.184 ( 9.387 0.000 13.204) 16.201 7.730 ( 2.280 0.000 0.508) 2.335 7.950 ( -0.747 -0.000 0.186) 0.770 8.101 ( 1.016 0.000 0.385) 1.086 8.251 ( 2.933 0.000 -0.305) 2.949 8.320 ( -0.785 -0.000 0.277) 0.833 8.363 ( -3.281 -0.000 -0.564) 3.329 8.638 ( -0.395 -0.000 0.783) 0.877 8.663 ( -2.451 -0.000 -0.319) 2.471 8.693 ( -1.743 -0.000 -1.000) 2.010 8.760 ( -0.407 -0.000 -0.129) 0.427 8.845 ( 1.454 0.000 0.887) 1.703 8.995 ( -2.539 -0.000 0.811) 2.665 9.076 ( -0.952 -0.000 -0.968) 1.358 9.231 ( 2.428 0.000 0.068) 2.429 9.251 ( -0.265 -0.000 -0.308) 0.406 9.349 ( -1.767 -0.000 -0.062) 1.768 9.442 ( -1.673 -0.000 -0.908) 1.903 9.651 ( -1.257 -0.000 0.756) 1.467 9.876 ( -2.489 -0.000 -0.640) 2.570 9.953 ( -1.022 -0.000 0.799) 1.297 10.117 ( -2.625 -0.000 -0.495) 2.671 10.207 ( -5.865 -0.000 0.040) 5.865 10.231 ( -0.222 -0.000 0.237) 0.324 10.704 ( -7.217 -0.000 0.289) 7.223 10.815 ( -9.213 -0.000 -0.180) 9.214 11.315 ( -2.035 -0.000 0.100) 2.037 11.803 ( -4.418 -0.000 0.011) 4.418 11.918 ( -5.174 -0.000 -0.231) 5.179 12.270 ( -3.246 -0.000 -0.788) 3.340 12.272 ( -0.831 -0.000 -1.062) 1.348 12.331 ( -1.863 -0.000 0.083) 1.865 12.373 ( -2.379 -0.000 1.759) 2.958 12.383 ( -1.802 -0.000 -0.455) 1.858 12.452 ( -2.792 -0.000 -1.018) 2.971 12.500 ( -1.173 -0.000 -0.691) 1.362 12.545 ( -0.200 -0.000 0.774) 0.800 12.587 ( -5.676 -0.000 -0.291) 5.683 12.624 ( -1.324 -0.000 0.392) 1.381 12.629 ( -4.874 -0.000 0.227) 4.879 12.681 ( -2.149 -0.000 0.103) 2.152 12.940 ( -0.634 -0.000 -0.226) 0.673 13.105 ( -0.786 -0.000 -0.325) 0.851 13.133 ( 0.430 0.000 -0.013) 0.430 13.135 ( -0.268 -0.000 0.424) 0.501 13.263 ( 1.555 0.000 -0.432) 1.614 13.291 ( -1.579 -0.000 -0.235) 1.596 13.408 ( -0.411 -0.000 0.744) 0.850 13.456 ( -3.453 -0.000 0.956) 3.583 13.528 ( -0.458 -0.000 0.129) 0.475 13.547 ( 0.718 0.000 -0.101) 0.725 13.573 ( -0.456 -0.000 -0.614) 0.764 13.837 ( 0.842 0.000 0.974) 1.287 14.001 ( -1.112 -0.000 -1.567) 1.922 14.212 ( 2.346 0.000 -0.959) 2.535 14.305 ( -0.206 -0.000 -2.359) 2.368 14.437 ( -2.111 -0.000 -0.133) 2.115 14.495 ( 5.198 0.000 6.982) 8.704 14.503 ( 0.017 0.000 0.495) 0.495 14.538 ( 2.679 0.000 5.093) 5.755 14.836 ( 0.862 0.000 -4.978) 5.053 14.975 ( -0.481 -0.000 -2.892) 2.932 ======================= Grid point 165 (76/78) ======================= q-point: ( 0.50 0.38 -0.50) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.024 ( 4.037 -3.796 -7.042) 8.961 2.125 ( 3.949 -1.547 4.672) 6.310 2.277 ( 5.762 -18.413 -3.673) 19.640 2.384 ( 4.928 -4.338 5.062) 8.291 2.604 ( 5.281 -20.429 -0.293) 21.103 2.751 ( 3.533 1.053 5.448) 6.579 2.899 ( 1.683 1.016 1.996) 2.802 2.906 ( -1.555 0.638 -2.012) 2.622 3.002 ( 2.757 -13.250 -0.340) 13.538 3.037 ( -0.469 -8.607 -4.166) 9.574 3.179 ( 2.400 -15.372 0.615) 15.571 3.335 ( 0.271 -8.531 4.969) 9.877 3.378 ( 0.142 -8.557 -4.102) 9.491 3.433 ( 1.344 -7.958 0.540) 8.089 3.491 ( 2.493 -2.647 -1.035) 3.781 3.597 ( 7.297 -0.980 3.539) 8.169 3.646 ( 3.662 -1.673 8.700) 9.586 3.709 ( -0.705 -7.063 0.713) 7.134 3.741 ( 2.018 1.702 -1.077) 2.852 3.825 ( -1.102 -0.757 -0.796) 1.556 3.955 ( 3.035 6.371 0.242) 7.061 4.004 ( 4.714 -7.965 5.587) 10.811 4.064 ( 4.884 -3.333 0.372) 5.925 4.181 ( 1.746 1.095 -5.790) 6.146 4.244 ( 6.270 2.536 -2.051) 7.068 4.295 ( 3.088 -0.474 -1.317) 3.391 4.329 ( 4.558 -4.828 0.090) 6.641 4.572 ( 7.723 -0.418 0.004) 7.734 4.607 ( 5.442 2.909 4.835) 7.839 4.719 ( 6.614 -3.316 4.012) 8.416 4.800 ( -4.687 1.030 -7.798) 9.157 4.924 ( -0.304 2.137 -3.816) 4.384 4.967 ( 3.906 -0.187 2.659) 4.729 5.077 ( 1.540 -1.928 1.575) 2.927 5.168 ( -2.957 2.092 0.128) 3.625 5.298 ( -8.950 -3.692 -2.711) 10.054 5.314 ( -0.939 -1.109 -12.180) 12.266 5.498 ( 4.722 1.000 0.256) 4.833 5.664 ( 3.543 4.198 1.057) 5.594 5.808 ( -2.067 0.681 0.966) 2.382 6.014 ( -2.352 6.075 -1.101) 6.607 6.285 ( -3.211 0.859 1.470) 3.635 6.362 ( 3.327 1.359 -3.260) 4.852 6.471 ( -3.741 6.745 -4.315) 8.837 6.654 ( 2.290 -4.244 4.978) 6.931 7.055 ( 0.694 -0.678 -0.494) 1.089 7.286 ( 6.118 1.623 7.614) 9.901 7.737 ( 1.242 1.381 0.276) 1.878 7.943 ( -0.642 0.026 -0.071) 0.646 8.102 ( 1.172 1.395 0.449) 1.877 8.250 ( 0.756 2.650 0.216) 2.764 8.295 ( -2.279 0.921 -1.254) 2.759 8.344 ( 0.016 -0.397 0.190) 0.441 8.622 ( -1.387 1.266 -0.071) 1.879 8.647 ( -0.633 -0.882 -0.154) 1.097 8.692 ( -0.935 -1.419 -0.373) 1.740 8.755 ( -0.277 0.113 -0.102) 0.316 8.850 ( 0.772 0.956 0.427) 1.301 8.973 ( -1.660 0.399 0.293) 1.733 9.064 ( -0.417 0.254 -0.437) 0.655 9.243 ( 0.502 0.966 -0.150) 1.099 9.255 ( 1.368 -0.462 0.078) 1.446 9.330 ( -0.532 0.812 0.568) 1.124 9.412 ( -1.934 0.506 -1.228) 2.346 9.640 ( -0.657 0.242 0.542) 0.886 9.847 ( -1.082 0.966 -0.257) 1.473 9.932 ( -0.505 1.543 0.308) 1.652 10.066 ( -4.069 1.568 -0.153) 4.363 10.157 ( -0.804 1.427 -0.257) 1.658 10.228 ( 0.174 0.491 0.190) 0.554 10.625 ( -2.931 2.839 0.236) 4.088 10.692 ( -5.384 5.085 -0.190) 7.409 11.269 ( -1.046 3.211 0.056) 3.378 11.789 ( -1.996 -2.119 -0.167) 2.916 11.853 ( -2.996 2.340 -0.181) 3.806 12.222 ( -0.255 1.511 -0.516) 1.617 12.255 ( -2.699 1.713 -0.397) 3.221 12.282 ( -0.551 2.407 0.245) 2.481 12.341 ( -0.061 1.959 0.756) 2.100 12.366 ( -1.107 1.853 0.116) 2.161 12.398 ( -1.791 2.763 -1.091) 3.468 12.459 ( -0.024 2.185 0.087) 2.186 12.524 ( -2.899 4.367 -0.738) 5.294 12.565 ( -2.050 -1.190 0.264) 2.385 12.584 ( -1.534 -1.358 0.177) 2.057 12.610 ( -0.158 -0.220 0.454) 0.529 12.697 ( -0.890 -3.183 0.102) 3.307 12.929 ( -0.375 0.592 -0.138) 0.714 13.088 ( -0.325 0.926 -0.252) 1.013 13.128 ( 0.329 0.677 0.589) 0.956 13.136 ( -0.066 0.257 -0.258) 0.370 13.247 ( -0.679 2.442 0.186) 2.542 13.274 ( 0.634 0.522 -0.551) 0.989 13.403 ( -0.143 0.453 0.569) 0.741 13.469 ( -2.026 -3.766 0.540) 4.310 13.534 ( -0.068 -0.447 -0.061) 0.456 13.549 ( -0.343 1.601 -0.249) 1.656 13.567 ( 0.533 -1.259 0.097) 1.371 13.880 ( 0.658 -3.268 0.735) 3.414 14.003 ( -0.818 -1.883 -1.163) 2.360 14.229 ( 1.756 0.282 -0.389) 1.820 14.282 ( -0.032 1.765 -1.106) 2.083 14.410 ( -1.825 0.583 -0.139) 1.921 14.493 ( -0.436 0.592 -0.011) 0.735 14.547 ( 3.283 1.599 4.821) 6.048 14.563 ( 2.412 1.742 3.935) 4.933 14.810 ( -0.387 1.465 -4.093) 4.364 14.938 ( -0.708 2.512 -2.308) 3.484 ======================= Grid point 166 (77/78) ======================= q-point: ( 0.62 0.38 -0.50) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.138 ( -0.000 -8.249 -0.000) 8.249 2.206 ( -0.000 -4.301 0.000) 4.301 2.452 ( -0.000 -2.125 -0.000) 2.125 2.592 ( -0.000 -10.241 0.000) 10.241 2.749 ( -0.000 2.730 -0.000) 2.730 2.801 ( -0.000 4.272 0.000) 4.272 2.948 ( -0.000 -2.187 0.000) 2.187 3.099 ( -0.000 -23.436 0.000) 23.436 3.163 ( -0.000 -3.175 -0.000) 3.175 3.220 ( -0.000 -10.036 0.000) 10.036 3.403 ( -0.000 -7.358 -0.000) 7.358 3.479 ( 0.000 -3.053 0.000) 3.053 3.493 ( -0.000 -3.555 -0.000) 3.555 3.524 ( -0.000 0.349 0.000) 0.349 3.578 ( -0.000 -1.629 0.000) 1.629 3.633 ( -0.000 5.300 -0.000) 5.300 3.751 ( -0.000 -15.534 -0.000) 15.534 3.811 ( -0.000 -7.337 0.000) 7.337 3.832 ( 0.000 -6.781 0.000) 6.781 3.927 ( -0.000 -13.466 -0.000) 13.466 3.953 ( -0.000 -8.845 -0.000) 8.845 4.101 ( -0.000 0.492 -0.000) 0.492 4.188 ( -0.000 -6.114 0.000) 6.114 4.216 ( -0.000 -9.652 -0.000) 9.652 4.263 ( -0.000 -1.096 -0.000) 1.096 4.320 ( -0.000 -0.734 0.000) 0.734 4.446 ( -0.000 -2.475 0.000) 2.475 4.567 ( -0.000 4.553 -0.000) 4.553 4.643 ( -0.000 -1.785 -0.000) 1.785 4.735 ( 0.000 0.221 0.000) 0.221 4.810 ( -0.000 4.339 -0.000) 4.339 4.819 ( 0.000 -2.342 0.000) 2.342 5.013 ( -0.000 0.331 0.000) 0.331 5.102 ( 0.000 -1.460 0.000) 1.460 5.195 ( 0.000 0.593 0.000) 0.593 5.239 ( -0.000 -3.256 -0.000) 3.256 5.358 ( -0.000 -3.276 0.000) 3.276 5.497 ( -0.000 2.296 0.000) 2.296 5.576 ( -0.000 8.505 -0.000) 8.505 5.758 ( -0.000 3.112 -0.000) 3.112 5.855 ( -0.000 9.199 -0.000) 9.199 6.252 ( -0.000 0.761 0.000) 0.761 6.321 ( -0.000 6.577 -0.000) 6.577 6.349 ( -0.000 1.473 0.000) 1.473 6.768 ( -0.000 -5.571 0.000) 5.571 7.063 ( -0.000 -0.216 0.000) 0.216 7.282 ( -0.000 3.698 0.000) 3.698 7.710 ( -0.000 2.531 0.000) 2.531 7.939 ( -0.000 -0.037 -0.000) 0.037 8.075 ( -0.000 2.392 0.000) 2.392 8.193 ( -0.000 3.642 -0.000) 3.642 8.261 ( -0.000 1.022 -0.000) 1.022 8.354 ( -0.000 -0.081 -0.000) 0.081 8.590 ( -0.000 1.417 0.000) 1.417 8.666 ( -0.000 -1.647 -0.000) 1.647 8.720 ( -0.000 -2.371 0.000) 2.371 8.752 ( -0.000 0.093 0.000) 0.093 8.834 ( -0.000 1.143 -0.000) 1.143 8.954 ( -0.000 0.624 -0.000) 0.624 9.055 ( -0.000 0.582 -0.000) 0.582 9.225 ( -0.000 1.200 0.000) 1.200 9.278 ( -0.000 -1.488 -0.000) 1.488 9.311 ( -0.000 1.271 0.000) 1.271 9.395 ( -0.000 -0.060 0.000) 0.060 9.634 ( -0.000 0.133 -0.000) 0.133 9.822 ( -0.000 1.187 -0.000) 1.187 9.898 ( -0.000 1.862 0.000) 1.862 10.006 ( -0.000 2.517 -0.000) 2.517 10.135 ( -0.000 0.791 -0.000) 0.791 10.218 ( -0.000 0.758 0.000) 0.758 10.554 ( -0.000 6.630 -0.000) 6.630 10.560 ( 0.000 3.016 0.000) 3.016 11.200 ( -0.000 3.597 0.000) 3.597 11.788 ( -0.000 2.647 0.000) 2.647 11.830 ( -0.000 -3.114 0.000) 3.114 12.183 ( -0.000 3.763 -0.000) 3.763 12.196 ( -0.000 2.973 0.000) 2.973 12.243 ( 0.000 0.501 0.000) 0.501 12.288 ( -0.000 5.711 0.000) 5.711 12.318 ( -0.000 2.020 -0.000) 2.020 12.342 ( -0.000 1.796 0.000) 1.796 12.421 ( -0.000 3.814 -0.000) 3.814 12.432 ( -0.000 1.092 0.000) 1.092 12.550 ( -0.000 1.356 0.000) 1.356 12.611 ( -0.000 -2.992 0.000) 2.992 12.643 ( -0.000 -2.478 0.000) 2.478 12.758 ( -0.000 -3.921 0.000) 3.921 12.912 ( 0.000 1.114 0.000) 1.114 13.071 ( -0.000 0.725 0.000) 0.725 13.112 ( -0.000 1.917 -0.000) 1.917 13.124 ( -0.000 0.531 0.000) 0.531 13.212 ( -0.000 0.812 -0.000) 0.812 13.263 ( -0.000 1.002 0.000) 1.002 13.398 ( -0.000 -0.055 -0.000) 0.055 13.489 ( -0.000 3.029 0.000) 3.029 13.534 ( -0.000 -3.687 -0.000) 3.687 13.561 ( -0.000 -1.649 0.000) 1.649 13.593 ( -0.000 -1.348 0.000) 1.348 13.949 ( -0.000 -3.647 0.000) 3.647 14.039 ( -0.000 -2.782 0.000) 2.782 14.219 ( -0.000 1.968 0.000) 1.968 14.257 ( -0.000 0.560 0.000) 0.560 14.389 ( -0.000 0.538 -0.000) 0.538 14.479 ( -0.000 0.638 -0.000) 0.638 14.520 ( -0.000 3.593 0.000) 3.593 14.556 ( -0.000 1.893 -0.000) 1.893 14.763 ( -0.000 2.711 0.000) 2.711 14.873 ( -0.000 3.604 0.000) 3.604 ======================= Grid point 175 (78/78) ======================= q-point: (-0.50 -0.50 0.50) 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 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( 0.000 0.000 0.000) 0.000 2.070 ( 0.000 0.000 0.000) 0.000 2.179 ( 0.000 0.000 -0.000) 0.000 2.309 ( 0.000 0.000 -0.000) 0.000 2.487 ( 0.000 0.000 -0.000) 0.000 2.817 ( 0.000 0.000 0.000) 0.000 2.860 ( -0.000 -0.000 0.000) 0.000 2.883 ( 0.000 0.000 0.000) 0.000 2.917 ( 0.000 0.000 -0.000) 0.000 2.934 ( 0.000 0.000 -0.000) 0.000 3.040 ( 0.000 0.000 0.000) 0.000 3.250 ( 0.000 0.000 0.000) 0.000 3.268 ( 0.000 0.000 -0.000) 0.000 3.395 ( 0.000 0.000 -0.000) 0.000 3.491 ( -0.000 -0.000 0.000) 0.000 3.610 ( 0.000 0.000 -0.000) 0.000 3.628 ( 0.000 0.000 0.000) 0.000 3.687 ( 0.000 0.000 0.000) 0.000 3.787 ( 0.000 0.000 -0.000) 0.000 3.882 ( 0.000 0.000 -0.000) 0.000 3.890 ( 0.000 0.000 0.000) 0.000 4.049 ( 0.000 0.000 0.000) 0.000 4.079 ( 0.000 0.000 -0.000) 0.000 4.214 ( 0.000 0.000 -0.000) 0.000 4.254 ( -0.000 -0.000 -0.000) 0.000 4.315 ( 0.000 0.000 -0.000) 0.000 4.323 ( 0.000 0.000 -0.000) 0.000 4.608 ( 0.000 0.000 0.000) 0.000 4.659 ( 0.000 0.000 -0.000) 0.000 4.754 ( 0.000 0.000 0.000) 0.000 4.763 ( 0.000 0.000 0.000) 0.000 4.935 ( 0.000 0.000 -0.000) 0.000 4.996 ( 0.000 0.000 -0.000) 0.000 5.069 ( -0.000 -0.000 0.000) 0.000 5.174 ( 0.000 0.000 0.000) 0.000 5.196 ( 0.000 0.000 0.000) 0.000 5.287 ( 0.000 0.000 -0.000) 0.000 5.532 ( 0.000 0.000 -0.000) 0.000 5.720 ( -0.000 -0.000 0.000) 0.000 5.807 ( 0.000 0.000 0.000) 0.000 6.054 ( 0.000 0.000 -0.000) 0.000 6.275 ( 0.000 0.000 -0.000) 0.000 6.386 ( 0.000 0.000 0.000) 0.000 6.517 ( 0.000 0.000 0.000) 0.000 6.624 ( 0.000 0.000 -0.000) 0.000 7.055 ( 0.000 0.000 -0.000) 0.000 7.347 ( 0.000 0.000 0.000) 0.000 7.755 ( 0.000 0.000 -0.000) 0.000 7.939 ( 0.000 0.000 0.000) 0.000 8.123 ( 0.000 0.000 -0.000) 0.000 8.285 ( 0.000 0.000 0.000) 0.000 8.286 ( 0.000 0.000 0.000) 0.000 8.335 ( 0.000 0.000 -0.000) 0.000 8.627 ( 0.000 0.000 0.000) 0.000 8.636 ( 0.000 0.000 -0.000) 0.000 8.672 ( 0.000 0.000 -0.000) 0.000 8.755 ( 0.000 0.000 -0.000) 0.000 8.864 ( 0.000 0.000 0.000) 0.000 8.968 ( 0.000 0.000 0.000) 0.000 9.063 ( 0.000 0.000 -0.000) 0.000 9.256 ( 0.000 0.000 0.000) 0.000 9.257 ( -0.000 -0.000 -0.000) 0.000 9.341 ( 0.000 0.000 -0.000) 0.000 9.400 ( 0.000 0.000 0.000) 0.000 9.640 ( 0.000 0.000 -0.000) 0.000 9.850 ( 0.000 0.000 0.000) 0.000 9.944 ( 0.000 0.000 -0.000) 0.000 10.057 ( 0.000 0.000 0.000) 0.000 10.165 ( 0.000 0.000 -0.000) 0.000 10.234 ( 0.000 0.000 -0.000) 0.000 10.635 ( 0.000 0.000 0.000) 0.000 10.709 ( -0.000 -0.000 -0.000) 0.000 11.294 ( 0.000 0.000 -0.000) 0.000 11.754 ( 0.000 0.000 -0.000) 0.000 11.862 ( 0.000 0.000 -0.000) 0.000 12.218 ( 0.000 0.000 -0.000) 0.000 12.266 ( 0.000 0.000 -0.000) 0.000 12.297 ( 0.000 0.000 -0.000) 0.000 12.368 ( 0.000 0.000 -0.000) 0.000 12.379 ( 0.000 0.000 0.000) 0.000 12.411 ( 0.000 0.000 -0.000) 0.000 12.488 ( 0.000 0.000 0.000) 0.000 12.523 ( 0.000 0.000 -0.000) 0.000 12.547 ( -0.000 -0.000 -0.000) 0.000 12.574 ( 0.000 0.000 0.000) 0.000 12.614 ( 0.000 0.000 -0.000) 0.000 12.659 ( 0.000 0.000 -0.000) 0.000 12.932 ( 0.000 0.000 -0.000) 0.000 13.095 ( 0.000 0.000 -0.000) 0.000 13.134 ( 0.000 0.000 -0.000) 0.000 13.139 ( 0.000 0.000 -0.000) 0.000 13.273 ( 0.000 0.000 -0.000) 0.000 13.281 ( 0.000 0.000 -0.000) 0.000 13.408 ( 0.000 0.000 0.000) 0.000 13.418 ( 0.000 0.000 -0.000) 0.000 13.524 ( 0.000 0.000 -0.000) 0.000 13.559 ( 0.000 0.000 0.000) 0.000 13.566 ( 0.000 0.000 -0.000) 0.000 13.855 ( 0.000 0.000 -0.000) 0.000 13.978 ( 0.000 0.000 -0.000) 0.000 14.240 ( 0.000 0.000 -0.000) 0.000 14.298 ( 0.000 0.000 -0.000) 0.000 14.406 ( 0.000 0.000 0.000) 0.000 14.496 ( 0.000 0.000 0.000) 0.000 14.589 ( 0.000 0.000 0.000) 0.000 14.597 ( 0.000 0.000 0.000) 0.000 14.813 ( 0.000 0.000 -0.000) 0.000 14.954 ( 0.000 0.000 -0.000) 0.000 =================== 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 3/27648 10.0 1214.658 1001.042 1510.892 0.000 211.803 0.000 3/27648 20.0 164.656 191.605 178.300 0.000 21.804 0.000 3/27648 30.0 56.878 76.906 59.091 0.000 7.308 0.000 3/27648 40.0 31.636 46.651 31.916 0.000 4.257 0.000 3/27648 50.0 21.639 33.590 21.439 0.000 3.107 0.000 3/27648 60.0 16.358 26.096 16.077 0.000 2.490 0.000 3/27648 70.0 13.083 21.149 12.834 0.000 2.088 0.000 3/27648 80.0 10.857 17.652 10.661 0.000 1.797 0.000 3/27648 90.0 9.253 15.075 9.106 0.000 1.575 0.000 3/27648 100.0 8.049 13.115 7.939 0.000 1.400 0.000 3/27648 110.0 7.116 11.586 7.034 0.000 1.259 0.000 3/27648 120.0 6.374 10.367 6.312 0.000 1.143 0.000 3/27648 130.0 5.772 9.376 5.724 0.000 1.046 0.000 3/27648 140.0 5.274 8.557 5.237 0.000 0.964 0.000 3/27648 150.0 4.856 7.869 4.827 0.000 0.895 0.000 3/27648 160.0 4.500 7.285 4.476 0.000 0.834 0.000 3/27648 170.0 4.194 6.783 4.174 0.000 0.781 0.000 3/27648 180.0 3.927 6.346 3.911 0.000 0.735 0.000 3/27648 190.0 3.693 5.963 3.680 0.000 0.694 0.000 3/27648 200.0 3.487 5.625 3.475 0.000 0.658 0.000 3/27648 210.0 3.302 5.324 3.292 0.000 0.625 0.000 3/27648 220.0 3.137 5.055 3.127 0.000 0.595 0.000 3/27648 230.0 2.988 4.812 2.979 0.000 0.568 0.000 3/27648 240.0 2.853 4.592 2.845 0.000 0.544 0.000 3/27648 250.0 2.729 4.392 2.722 0.000 0.521 0.000 3/27648 260.0 2.617 4.208 2.610 0.000 0.500 0.000 3/27648 270.0 2.513 4.040 2.507 0.000 0.481 0.000 3/27648 280.0 2.418 3.886 2.411 0.000 0.464 0.000 3/27648 290.0 2.329 3.742 2.323 0.000 0.447 0.000 3/27648 300.0 2.247 3.610 2.242 0.000 0.432 0.000 3/27648 310.0 2.171 3.486 2.165 0.000 0.418 0.000 3/27648 320.0 2.100 3.371 2.095 0.000 0.405 0.000 3/27648 330.0 2.033 3.264 2.028 0.000 0.392 0.000 3/27648 340.0 1.971 3.163 1.966 0.000 0.380 0.000 3/27648 350.0 1.912 3.068 1.907 0.000 0.369 0.000 3/27648 360.0 1.857 2.979 1.852 0.000 0.359 0.000 3/27648 370.0 1.805 2.895 1.800 0.000 0.349 0.000 3/27648 380.0 1.756 2.816 1.751 0.000 0.340 0.000 3/27648 390.0 1.709 2.741 1.705 0.000 0.331 0.000 3/27648 400.0 1.665 2.670 1.661 0.000 0.323 0.000 3/27648 410.0 1.624 2.603 1.619 0.000 0.315 0.000 3/27648 420.0 1.584 2.539 1.580 0.000 0.307 0.000 3/27648 430.0 1.546 2.478 1.542 0.000 0.300 0.000 3/27648 440.0 1.510 2.420 1.506 0.000 0.293 0.000 3/27648 450.0 1.476 2.365 1.472 0.000 0.287 0.000 3/27648 460.0 1.443 2.312 1.439 0.000 0.280 0.000 3/27648 470.0 1.411 2.261 1.408 0.000 0.274 0.000 3/27648 480.0 1.381 2.213 1.378 0.000 0.269 0.000 3/27648 490.0 1.353 2.167 1.349 0.000 0.263 0.000 3/27648 500.0 1.325 2.123 1.322 0.000 0.258 0.000 3/27648 510.0 1.299 2.080 1.295 0.000 0.253 0.000 3/27648 520.0 1.273 2.039 1.270 0.000 0.248 0.000 3/27648 530.0 1.249 2.000 1.245 0.000 0.243 0.000 3/27648 540.0 1.225 1.962 1.222 0.000 0.239 0.000 3/27648 550.0 1.203 1.926 1.199 0.000 0.234 0.000 3/27648 560.0 1.181 1.891 1.178 0.000 0.230 0.000 3/27648 570.0 1.160 1.857 1.157 0.000 0.226 0.000 3/27648 580.0 1.140 1.825 1.136 0.000 0.222 0.000 3/27648 590.0 1.120 1.793 1.117 0.000 0.218 0.000 3/27648 600.0 1.101 1.763 1.098 0.000 0.215 0.000 3/27648 610.0 1.083 1.734 1.080 0.000 0.211 0.000 3/27648 620.0 1.065 1.705 1.062 0.000 0.208 0.000 3/27648 630.0 1.048 1.678 1.045 0.000 0.204 0.000 3/27648 640.0 1.031 1.651 1.029 0.000 0.201 0.000 3/27648 650.0 1.015 1.626 1.013 0.000 0.198 0.000 3/27648 660.0 1.000 1.601 0.997 0.000 0.195 0.000 3/27648 670.0 0.985 1.576 0.982 0.000 0.192 0.000 3/27648 680.0 0.970 1.553 0.967 0.000 0.189 0.000 3/27648 690.0 0.956 1.530 0.953 0.000 0.187 0.000 3/27648 700.0 0.942 1.508 0.940 0.000 0.184 0.000 3/27648 710.0 0.929 1.487 0.926 0.000 0.181 0.000 3/27648 720.0 0.916 1.466 0.913 0.000 0.179 0.000 3/27648 730.0 0.903 1.446 0.901 0.000 0.176 0.000 3/27648 740.0 0.891 1.426 0.888 0.000 0.174 0.000 3/27648 750.0 0.879 1.407 0.876 0.000 0.172 0.000 3/27648 760.0 0.867 1.388 0.865 0.000 0.169 0.000 3/27648 770.0 0.856 1.370 0.853 0.000 0.167 0.000 3/27648 780.0 0.845 1.352 0.842 0.000 0.165 0.000 3/27648 790.0 0.834 1.335 0.832 0.000 0.163 0.000 3/27648 800.0 0.824 1.318 0.821 0.000 0.161 0.000 3/27648 810.0 0.813 1.302 0.811 0.000 0.159 0.000 3/27648 820.0 0.803 1.286 0.801 0.000 0.157 0.000 3/27648 830.0 0.794 1.270 0.791 0.000 0.155 0.000 3/27648 840.0 0.784 1.255 0.782 0.000 0.153 0.000 3/27648 850.0 0.775 1.240 0.773 0.000 0.152 0.000 3/27648 860.0 0.766 1.225 0.764 0.000 0.150 0.000 3/27648 870.0 0.757 1.211 0.755 0.000 0.148 0.000 3/27648 880.0 0.748 1.197 0.746 0.000 0.146 0.000 3/27648 890.0 0.740 1.184 0.738 0.000 0.145 0.000 3/27648 900.0 0.732 1.171 0.729 0.000 0.143 0.000 3/27648 910.0 0.723 1.158 0.721 0.000 0.142 0.000 3/27648 920.0 0.716 1.145 0.713 0.000 0.140 0.000 3/27648 930.0 0.708 1.133 0.706 0.000 0.138 0.000 3/27648 940.0 0.700 1.121 0.698 0.000 0.137 0.000 3/27648 950.0 0.693 1.109 0.691 0.000 0.136 0.000 3/27648 960.0 0.686 1.097 0.684 0.000 0.134 0.000 3/27648 970.0 0.679 1.086 0.676 0.000 0.133 0.000 3/27648 980.0 0.672 1.075 0.670 0.000 0.131 0.000 3/27648 990.0 0.665 1.064 0.663 0.000 0.130 0.000 3/27648 1000.0 0.658 1.053 0.656 0.000 0.129 0.000 3/27648 Thermal conductivity related properties were written into "kappa-m884.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:00:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|