----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 18:31:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 1] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: Fddd (70) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 5.137783175000000 10.914499844999998 b 3.659427490000000 0.000000000000000 10.914499844999998 c 3.659427490000000 5.137783175000000 0.000000000000000 Atomic positions (fractional): *1 S 0.00631537023105 0.49368462976895 0.49368462976895 32.065 2 S 0.49368462976895 0.00631537023105 0.00631537023105 32.065 3 S 0.24368462976895 0.75631537023105 0.75631537023105 32.065 4 S 0.75631537023105 0.24368462976895 0.24368462976895 32.065 *5 S 0.40944619380093 0.92783107345592 0.58497937247451 32.065 6 S 0.07774336026864 0.58497937247451 0.92783107345592 32.065 7 S 0.58497937247451 0.07774336026865 0.40944619380093 32.065 8 S 0.92783107345592 0.40944619380092 0.07774336026865 32.065 9 S 0.84055380619907 0.32216892654408 0.66502062752549 32.065 10 S 0.17225663973135 0.66502062752549 0.32216892654408 32.065 11 S 0.66502062752549 0.17225663973136 0.84055380619907 32.065 12 S 0.32216892654408 0.84055380619907 0.17225663973135 32.065 *13 Sc 0.33359256170267 0.33359256170267 0.16640743829733 44.956 14 Sc 0.16640743829733 0.16640743829733 0.33359256170267 44.956 15 Sc 0.91640743829733 0.91640743829733 0.08359256170267 44.956 16 Sc 0.08359256170267 0.08359256170267 0.91640743829733 44.956 *17 Sc 0.99792225731402 0.99792225731402 0.50207774268598 44.956 18 Sc 0.50207774268598 0.50207774268598 0.99792225731402 44.956 19 Sc 0.25207774268598 0.25207774268598 0.74792225731402 44.956 20 Sc 0.74792225731402 0.74792225731402 0.25207774268598 44.956 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.318854980000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.275566350000000 0.000000000000000 c 0.000000000000000 0.000000000000000 21.828999689999996 Atomic positions (fractional): *1 S 0.99368462976895 0.75000000000000 0.25000000000000 32.065 > 1 2 S 0.50631537023105 0.75000000000000 0.25000000000000 32.065 > 2 3 S 0.75631537023105 0.00000000000000 0.00000000000000 32.065 > 3 4 S 0.24368462976895 0.00000000000000 0.00000000000000 32.065 > 4 *5 S 0.75640522296521 0.99721278313772 0.16863863362842 32.065 > 5 6 S 0.25640522296522 0.00278721686228 0.33136136637158 32.065 > 6 7 S 0.74359477703479 0.99721278313772 0.33136136637158 32.065 > 7 8 S 0.24359477703478 0.00278721686228 0.16863863362842 32.065 > 8 9 S 0.49359477703478 0.25278721686228 0.08136136637158 32.065 > 9 10 S 0.99359477703479 0.74721278313772 0.41863863362842 32.065 > 10 11 S 0.00640522296522 0.25278721686228 0.41863863362842 32.065 > 11 12 S 0.50640522296521 0.74721278313772 0.08136136637158 32.065 > 12 13 S 0.99368462976895 0.25000000000000 0.75000000000000 32.065 > 1 14 S 0.50631537023105 0.25000000000000 0.75000000000000 32.065 > 2 15 S 0.75631537023105 0.50000000000000 0.50000000000000 32.065 > 3 16 S 0.24368462976895 0.50000000000000 0.50000000000000 32.065 > 4 17 S 0.75640522296521 0.49721278313772 0.66863863362842 32.065 > 5 18 S 0.25640522296522 0.50278721686228 0.83136136637158 32.065 > 6 19 S 0.74359477703479 0.49721278313772 0.83136136637158 32.065 > 7 20 S 0.24359477703478 0.50278721686228 0.66863863362842 32.065 > 8 21 S 0.49359477703478 0.75278721686228 0.58136136637158 32.065 > 9 22 S 0.99359477703479 0.24721278313772 0.91863863362842 32.065 > 10 23 S 0.00640522296522 0.75278721686228 0.91863863362842 32.065 > 11 24 S 0.50640522296521 0.24721278313772 0.58136136637158 32.065 > 12 25 S 0.49368462976895 0.75000000000000 0.75000000000000 32.065 > 1 26 S 0.00631537023104 0.75000000000000 0.75000000000000 32.065 > 2 27 S 0.25631537023105 0.00000000000000 0.50000000000000 32.065 > 3 28 S 0.74368462976895 0.00000000000000 0.50000000000000 32.065 > 4 29 S 0.25640522296522 0.99721278313772 0.66863863362842 32.065 > 5 30 S 0.75640522296521 0.00278721686228 0.83136136637158 32.065 > 6 31 S 0.24359477703478 0.99721278313772 0.83136136637158 32.065 > 7 32 S 0.74359477703479 0.00278721686228 0.66863863362842 32.065 > 8 33 S 0.99359477703479 0.25278721686228 0.58136136637158 32.065 > 9 34 S 0.49359477703478 0.74721278313772 0.91863863362842 32.065 > 10 35 S 0.50640522296521 0.25278721686228 0.91863863362842 32.065 > 11 36 S 0.00640522296522 0.74721278313772 0.58136136637158 32.065 > 12 37 S 0.49368462976895 0.25000000000000 0.25000000000000 32.065 > 1 38 S 0.00631537023104 0.25000000000000 0.25000000000000 32.065 > 2 39 S 0.25631537023105 0.50000000000000 0.00000000000000 32.065 > 3 40 S 0.74368462976895 0.50000000000000 0.00000000000000 32.065 > 4 41 S 0.25640522296522 0.49721278313772 0.16863863362842 32.065 > 5 42 S 0.75640522296521 0.50278721686228 0.33136136637158 32.065 > 6 43 S 0.24359477703478 0.49721278313772 0.33136136637158 32.065 > 7 44 S 0.74359477703479 0.50278721686228 0.16863863362842 32.065 > 8 45 S 0.99359477703479 0.75278721686228 0.08136136637158 32.065 > 9 46 S 0.49359477703478 0.24721278313772 0.41863863362842 32.065 > 10 47 S 0.50640522296521 0.75278721686228 0.41863863362842 32.065 > 11 48 S 0.00640522296522 0.24721278313772 0.08136136637158 32.065 > 12 *49 Sc 0.75000000000000 0.75000000000000 0.33359256170267 44.956 > 13 50 Sc 0.75000000000000 0.75000000000000 0.16640743829733 44.956 > 14 51 Sc 0.50000000000000 0.00000000000000 0.41640743829733 44.956 > 15 52 Sc 0.00000000000000 0.00000000000000 0.08359256170267 44.956 > 16 *53 Sc 0.75000000000000 0.25000000000000 0.49792225731402 44.956 > 17 54 Sc 0.75000000000000 0.25000000000000 0.00207774268598 44.956 > 18 55 Sc 0.00000000000000 0.00000000000000 0.25207774268598 44.956 > 19 56 Sc 0.50000000000000 0.00000000000000 0.24792225731402 44.956 > 20 57 Sc 0.75000000000000 0.25000000000000 0.83359256170267 44.956 > 13 58 Sc 0.75000000000000 0.25000000000000 0.66640743829733 44.956 > 14 59 Sc 0.50000000000000 0.50000000000000 0.91640743829733 44.956 > 15 60 Sc 0.00000000000000 0.50000000000000 0.58359256170267 44.956 > 16 61 Sc 0.75000000000000 0.75000000000000 0.99792225731402 44.956 > 17 62 Sc 0.75000000000000 0.75000000000000 0.50207774268598 44.956 > 18 63 Sc 0.00000000000000 0.50000000000000 0.75207774268598 44.956 > 19 64 Sc 0.50000000000000 0.50000000000000 0.74792225731402 44.956 > 20 65 Sc 0.25000000000000 0.75000000000000 0.83359256170267 44.956 > 13 66 Sc 0.25000000000000 0.75000000000000 0.66640743829733 44.956 > 14 67 Sc 0.00000000000000 0.00000000000000 0.91640743829733 44.956 > 15 68 Sc 0.50000000000000 0.00000000000000 0.58359256170267 44.956 > 16 69 Sc 0.25000000000000 0.25000000000000 0.99792225731402 44.956 > 17 70 Sc 0.25000000000000 0.25000000000000 0.50207774268598 44.956 > 18 71 Sc 0.50000000000000 0.00000000000000 0.75207774268598 44.956 > 19 72 Sc 0.00000000000000 0.00000000000000 0.74792225731402 44.956 > 20 73 Sc 0.25000000000000 0.25000000000000 0.33359256170267 44.956 > 13 74 Sc 0.25000000000000 0.25000000000000 0.16640743829733 44.956 > 14 75 Sc 0.00000000000000 0.50000000000000 0.41640743829733 44.956 > 15 76 Sc 0.50000000000000 0.50000000000000 0.08359256170267 44.956 > 16 77 Sc 0.25000000000000 0.75000000000000 0.49792225731402 44.956 > 17 78 Sc 0.25000000000000 0.75000000000000 0.00207774268598 44.956 > 18 79 Sc 0.50000000000000 0.50000000000000 0.25207774268598 44.956 > 19 80 Sc 0.00000000000000 0.50000000000000 0.24792225731402 44.956 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 7.318854980000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.275566350000000 0.000000000000000 c 0.000000000000000 0.000000000000000 21.828999689999996 Atomic positions (fractional): *1 S 0.99368462976895 0.75000000000000 0.25000000000000 32.065 > 1 2 S 0.50631537023105 0.75000000000000 0.25000000000000 32.065 > 2 3 S 0.75631537023105 0.00000000000000 0.00000000000000 32.065 > 3 4 S 0.24368462976895 0.00000000000000 0.00000000000000 32.065 > 4 *5 S 0.75640522296521 0.99721278313772 0.16863863362842 32.065 > 5 6 S 0.25640522296522 0.00278721686228 0.33136136637158 32.065 > 6 7 S 0.74359477703479 0.99721278313772 0.33136136637158 32.065 > 7 8 S 0.24359477703478 0.00278721686228 0.16863863362842 32.065 > 8 9 S 0.49359477703478 0.25278721686228 0.08136136637158 32.065 > 9 10 S 0.99359477703479 0.74721278313772 0.41863863362842 32.065 > 10 11 S 0.00640522296522 0.25278721686228 0.41863863362842 32.065 > 11 12 S 0.50640522296521 0.74721278313772 0.08136136637158 32.065 > 12 13 S 0.99368462976895 0.25000000000000 0.75000000000000 32.065 > 1 14 S 0.50631537023105 0.25000000000000 0.75000000000000 32.065 > 2 15 S 0.75631537023105 0.50000000000000 0.50000000000000 32.065 > 3 16 S 0.24368462976895 0.50000000000000 0.50000000000000 32.065 > 4 17 S 0.75640522296521 0.49721278313772 0.66863863362842 32.065 > 5 18 S 0.25640522296522 0.50278721686228 0.83136136637158 32.065 > 6 19 S 0.74359477703479 0.49721278313772 0.83136136637158 32.065 > 7 20 S 0.24359477703478 0.50278721686228 0.66863863362842 32.065 > 8 21 S 0.49359477703478 0.75278721686228 0.58136136637158 32.065 > 9 22 S 0.99359477703479 0.24721278313772 0.91863863362842 32.065 > 10 23 S 0.00640522296522 0.75278721686228 0.91863863362842 32.065 > 11 24 S 0.50640522296521 0.24721278313772 0.58136136637158 32.065 > 12 25 S 0.49368462976895 0.75000000000000 0.75000000000000 32.065 > 1 26 S 0.00631537023104 0.75000000000000 0.75000000000000 32.065 > 2 27 S 0.25631537023105 0.00000000000000 0.50000000000000 32.065 > 3 28 S 0.74368462976895 0.00000000000000 0.50000000000000 32.065 > 4 29 S 0.25640522296522 0.99721278313772 0.66863863362842 32.065 > 5 30 S 0.75640522296521 0.00278721686228 0.83136136637158 32.065 > 6 31 S 0.24359477703478 0.99721278313772 0.83136136637158 32.065 > 7 32 S 0.74359477703479 0.00278721686228 0.66863863362842 32.065 > 8 33 S 0.99359477703479 0.25278721686228 0.58136136637158 32.065 > 9 34 S 0.49359477703478 0.74721278313772 0.91863863362842 32.065 > 10 35 S 0.50640522296521 0.25278721686228 0.91863863362842 32.065 > 11 36 S 0.00640522296522 0.74721278313772 0.58136136637158 32.065 > 12 37 S 0.49368462976895 0.25000000000000 0.25000000000000 32.065 > 1 38 S 0.00631537023104 0.25000000000000 0.25000000000000 32.065 > 2 39 S 0.25631537023105 0.50000000000000 0.00000000000000 32.065 > 3 40 S 0.74368462976895 0.50000000000000 0.00000000000000 32.065 > 4 41 S 0.25640522296522 0.49721278313772 0.16863863362842 32.065 > 5 42 S 0.75640522296521 0.50278721686228 0.33136136637158 32.065 > 6 43 S 0.24359477703478 0.49721278313772 0.33136136637158 32.065 > 7 44 S 0.74359477703479 0.50278721686228 0.16863863362842 32.065 > 8 45 S 0.99359477703479 0.75278721686228 0.08136136637158 32.065 > 9 46 S 0.49359477703478 0.24721278313772 0.41863863362842 32.065 > 10 47 S 0.50640522296521 0.75278721686228 0.41863863362842 32.065 > 11 48 S 0.00640522296522 0.24721278313772 0.08136136637158 32.065 > 12 *49 Sc 0.75000000000000 0.75000000000000 0.33359256170267 44.956 > 13 50 Sc 0.75000000000000 0.75000000000000 0.16640743829733 44.956 > 14 51 Sc 0.50000000000000 0.00000000000000 0.41640743829733 44.956 > 15 52 Sc 0.00000000000000 0.00000000000000 0.08359256170267 44.956 > 16 *53 Sc 0.75000000000000 0.25000000000000 0.49792225731402 44.956 > 17 54 Sc 0.75000000000000 0.25000000000000 0.00207774268598 44.956 > 18 55 Sc 0.00000000000000 0.00000000000000 0.25207774268598 44.956 > 19 56 Sc 0.50000000000000 0.00000000000000 0.24792225731402 44.956 > 20 57 Sc 0.75000000000000 0.25000000000000 0.83359256170267 44.956 > 13 58 Sc 0.75000000000000 0.25000000000000 0.66640743829733 44.956 > 14 59 Sc 0.50000000000000 0.50000000000000 0.91640743829733 44.956 > 15 60 Sc 0.00000000000000 0.50000000000000 0.58359256170267 44.956 > 16 61 Sc 0.75000000000000 0.75000000000000 0.99792225731402 44.956 > 17 62 Sc 0.75000000000000 0.75000000000000 0.50207774268598 44.956 > 18 63 Sc 0.00000000000000 0.50000000000000 0.75207774268598 44.956 > 19 64 Sc 0.50000000000000 0.50000000000000 0.74792225731402 44.956 > 20 65 Sc 0.25000000000000 0.75000000000000 0.83359256170267 44.956 > 13 66 Sc 0.25000000000000 0.75000000000000 0.66640743829733 44.956 > 14 67 Sc 0.00000000000000 0.00000000000000 0.91640743829733 44.956 > 15 68 Sc 0.50000000000000 0.00000000000000 0.58359256170267 44.956 > 16 69 Sc 0.25000000000000 0.25000000000000 0.99792225731402 44.956 > 17 70 Sc 0.25000000000000 0.25000000000000 0.50207774268598 44.956 > 18 71 Sc 0.50000000000000 0.00000000000000 0.75207774268598 44.956 > 19 72 Sc 0.00000000000000 0.00000000000000 0.74792225731402 44.956 > 20 73 Sc 0.25000000000000 0.25000000000000 0.33359256170267 44.956 > 13 74 Sc 0.25000000000000 0.25000000000000 0.16640743829733 44.956 > 14 75 Sc 0.00000000000000 0.50000000000000 0.41640743829733 44.956 > 15 76 Sc 0.50000000000000 0.50000000000000 0.08359256170267 44.956 > 16 77 Sc 0.25000000000000 0.75000000000000 0.49792225731402 44.956 > 17 78 Sc 0.25000000000000 0.75000000000000 0.00207774268598 44.956 > 18 79 Sc 0.50000000000000 0.50000000000000 0.25207774268598 44.956 > 19 80 Sc 0.00000000000000 0.50000000000000 0.24792225731402 44.956 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.9283549 0.0000000 0.0000000 0.0000000 8.6166483 0.0000000 0.0000000 0.0000000 8.7202181 -------------------------- Born effective charges -------------------------- 1 S -1.6228562 0.0000000 0.0000000 0.0000000 -3.7836378 -0.0865251 0.0000000 -0.1497177 -2.3725032 2 S -1.6228562 0.0000000 0.0000000 0.0000000 -3.7836378 0.0865251 0.0000000 0.1497177 -2.3725032 3 S -1.6228562 0.0000000 0.0000000 0.0000000 -3.7836378 -0.0865251 0.0000000 -0.1497177 -2.3725032 4 S -1.6228562 0.0000000 0.0000000 0.0000000 -3.7836378 0.0865251 0.0000000 0.1497177 -2.3725032 5 S -3.2375621 -0.2609917 0.9201304 -0.2489638 -2.1070487 -0.2326006 0.8683161 -0.2654193 -2.9626655 6 S -3.2375621 0.2609917 -0.9201304 0.2489638 -2.1070487 -0.2326006 -0.8683161 -0.2654193 -2.9626655 7 S -3.2375621 0.2609917 0.9201304 0.2489638 -2.1070487 0.2326006 0.8683161 0.2654193 -2.9626655 8 S -3.2375621 -0.2609917 -0.9201304 -0.2489638 -2.1070487 0.2326006 -0.8683161 0.2654193 -2.9626655 9 S -3.2375621 -0.2609917 0.9201304 -0.2489638 -2.1070487 -0.2326006 0.8683161 -0.2654193 -2.9626655 10 S -3.2375621 0.2609917 -0.9201304 0.2489638 -2.1070487 -0.2326006 -0.8683161 -0.2654193 -2.9626655 11 S -3.2375621 0.2609917 0.9201304 0.2489638 -2.1070487 0.2326006 0.8683161 0.2654193 -2.9626655 12 S -3.2375621 -0.2609917 -0.9201304 -0.2489638 -2.1070487 0.2326006 -0.8683161 0.2654193 -2.9626655 13 Sc 3.1889085 -0.6945229 0.0000000 -0.6256607 3.3727709 0.0000000 0.0000000 0.0000000 4.8637027 14 Sc 3.1889085 0.6945229 0.0000000 0.6256607 3.3727709 0.0000000 0.0000000 0.0000000 4.8637027 15 Sc 3.1889085 -0.6945229 0.0000000 -0.6256607 3.3727709 0.0000000 0.0000000 0.0000000 4.8637027 16 Sc 3.1889085 0.6945229 0.0000000 0.6256607 3.3727709 0.0000000 0.0000000 0.0000000 4.8637027 17 Sc 4.9090720 1.2895361 0.0000000 1.4720265 4.6249642 0.0000000 0.0000000 0.0000000 3.4341315 18 Sc 4.9090720 -1.2895361 0.0000000 -1.4720265 4.6249642 0.0000000 0.0000000 0.0000000 3.4341315 19 Sc 4.9090720 1.2895361 0.0000000 1.4720265 4.6249642 0.0000000 0.0000000 0.0000000 3.4341315 20 Sc 4.9090720 -1.2895361 0.0000000 -1.4720265 4.6249642 0.0000000 0.0000000 0.0000000 3.4341315 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 240/240 Permutation basis: 9978/9978 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 985 Number of blocks in projector: 985 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: 212 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 188 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 180 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 135 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 135 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 135 Use standard eigh solver. Tree of FC basis block matrices: - (985, 961), data: False |-- (135, 131), data: True |-- (135, 131), data: True |-- (135, 131), data: True |-- (180, 178), data: True |-- (188, 184), data: True |-- (212, 206), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 320 - Time: 0.748 Solver_block: 200 / 320 - Time: 0.754 Solver_block: 300 / 320 - Time: 0.760 Solver_block: 320 / 320 - Time: 0.220 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.508 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 240/240 Permutation basis: 9978/9978 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 985 Number of blocks in projector: 985 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: 212 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 188 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 180 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 135 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 135 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 135 Use standard eigh solver. Tree of FC basis block matrices: - (985, 961), data: False |-- (135, 131), data: True |-- (135, 131), data: True |-- (135, 131), data: True |-- (180, 178), data: True |-- (188, 184), data: True |-- (212, 206), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 18:31:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:31:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 1] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: Fddd (70) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 5.137783175000000 10.914499844999998 b 3.659427490000000 0.000000000000000 10.914499844999998 c 3.659427490000000 5.137783175000000 0.000000000000000 Atomic positions (fractional): 1 S 0.00631537023105 0.49368462976895 0.49368462976895 32.065 2 S 0.49368462976895 0.00631537023105 0.00631537023105 32.065 3 S 0.24368462976895 0.75631537023105 0.75631537023105 32.065 4 S 0.75631537023105 0.24368462976895 0.24368462976895 32.065 5 S 0.40944619380093 0.92783107345592 0.58497937247451 32.065 6 S 0.07774336026864 0.58497937247451 0.92783107345592 32.065 7 S 0.58497937247451 0.07774336026865 0.40944619380093 32.065 8 S 0.92783107345592 0.40944619380092 0.07774336026865 32.065 9 S 0.84055380619907 0.32216892654408 0.66502062752549 32.065 10 S 0.17225663973135 0.66502062752549 0.32216892654408 32.065 11 S 0.66502062752549 0.17225663973136 0.84055380619907 32.065 12 S 0.32216892654408 0.84055380619907 0.17225663973135 32.065 13 Sc 0.33359256170267 0.33359256170267 0.16640743829733 44.956 14 Sc 0.16640743829733 0.16640743829733 0.33359256170267 44.956 15 Sc 0.91640743829733 0.91640743829733 0.08359256170267 44.956 16 Sc 0.08359256170267 0.08359256170267 0.91640743829733 44.956 17 Sc 0.99792225731402 0.99792225731402 0.50207774268598 44.956 18 Sc 0.50207774268598 0.50207774268598 0.99792225731402 44.956 19 Sc 0.25207774268598 0.25207774268598 0.74792225731402 44.956 20 Sc 0.74792225731402 0.74792225731402 0.25207774268598 44.956 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.318854980000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.275566350000000 0.000000000000000 c 0.000000000000000 0.000000000000000 21.828999689999996 Atomic positions (fractional): 1 S 0.99368462976895 0.75000000000000 0.25000000000000 32.065 > 1 2 S 0.50631537023105 0.75000000000000 0.25000000000000 32.065 > 2 3 S 0.75631537023105 0.00000000000000 0.00000000000000 32.065 > 3 4 S 0.24368462976895 0.00000000000000 0.00000000000000 32.065 > 4 5 S 0.75640522296521 0.99721278313772 0.16863863362842 32.065 > 5 6 S 0.25640522296522 0.00278721686228 0.33136136637158 32.065 > 6 7 S 0.74359477703479 0.99721278313772 0.33136136637158 32.065 > 7 8 S 0.24359477703478 0.00278721686228 0.16863863362842 32.065 > 8 9 S 0.49359477703478 0.25278721686228 0.08136136637158 32.065 > 9 10 S 0.99359477703479 0.74721278313772 0.41863863362842 32.065 > 10 11 S 0.00640522296522 0.25278721686228 0.41863863362842 32.065 > 11 12 S 0.50640522296521 0.74721278313772 0.08136136637158 32.065 > 12 13 S 0.99368462976895 0.25000000000000 0.75000000000000 32.065 > 1 14 S 0.50631537023105 0.25000000000000 0.75000000000000 32.065 > 2 15 S 0.75631537023105 0.50000000000000 0.50000000000000 32.065 > 3 16 S 0.24368462976895 0.50000000000000 0.50000000000000 32.065 > 4 17 S 0.75640522296521 0.49721278313772 0.66863863362842 32.065 > 5 18 S 0.25640522296522 0.50278721686228 0.83136136637158 32.065 > 6 19 S 0.74359477703479 0.49721278313772 0.83136136637158 32.065 > 7 20 S 0.24359477703478 0.50278721686228 0.66863863362842 32.065 > 8 21 S 0.49359477703478 0.75278721686228 0.58136136637158 32.065 > 9 22 S 0.99359477703479 0.24721278313772 0.91863863362842 32.065 > 10 23 S 0.00640522296522 0.75278721686228 0.91863863362842 32.065 > 11 24 S 0.50640522296521 0.24721278313772 0.58136136637158 32.065 > 12 25 S 0.49368462976895 0.75000000000000 0.75000000000000 32.065 > 1 26 S 0.00631537023104 0.75000000000000 0.75000000000000 32.065 > 2 27 S 0.25631537023105 0.00000000000000 0.50000000000000 32.065 > 3 28 S 0.74368462976895 0.00000000000000 0.50000000000000 32.065 > 4 29 S 0.25640522296522 0.99721278313772 0.66863863362842 32.065 > 5 30 S 0.75640522296521 0.00278721686228 0.83136136637158 32.065 > 6 31 S 0.24359477703478 0.99721278313772 0.83136136637158 32.065 > 7 32 S 0.74359477703479 0.00278721686228 0.66863863362842 32.065 > 8 33 S 0.99359477703479 0.25278721686228 0.58136136637158 32.065 > 9 34 S 0.49359477703478 0.74721278313772 0.91863863362842 32.065 > 10 35 S 0.50640522296521 0.25278721686228 0.91863863362842 32.065 > 11 36 S 0.00640522296522 0.74721278313772 0.58136136637158 32.065 > 12 37 S 0.49368462976895 0.25000000000000 0.25000000000000 32.065 > 1 38 S 0.00631537023104 0.25000000000000 0.25000000000000 32.065 > 2 39 S 0.25631537023105 0.50000000000000 0.00000000000000 32.065 > 3 40 S 0.74368462976895 0.50000000000000 0.00000000000000 32.065 > 4 41 S 0.25640522296522 0.49721278313772 0.16863863362842 32.065 > 5 42 S 0.75640522296521 0.50278721686228 0.33136136637158 32.065 > 6 43 S 0.24359477703478 0.49721278313772 0.33136136637158 32.065 > 7 44 S 0.74359477703479 0.50278721686228 0.16863863362842 32.065 > 8 45 S 0.99359477703479 0.75278721686228 0.08136136637158 32.065 > 9 46 S 0.49359477703478 0.24721278313772 0.41863863362842 32.065 > 10 47 S 0.50640522296521 0.75278721686228 0.41863863362842 32.065 > 11 48 S 0.00640522296522 0.24721278313772 0.08136136637158 32.065 > 12 49 Sc 0.75000000000000 0.75000000000000 0.33359256170267 44.956 > 49 50 Sc 0.75000000000000 0.75000000000000 0.16640743829733 44.956 > 50 51 Sc 0.50000000000000 0.00000000000000 0.41640743829733 44.956 > 51 52 Sc 0.00000000000000 0.00000000000000 0.08359256170267 44.956 > 52 53 Sc 0.75000000000000 0.25000000000000 0.49792225731402 44.956 > 53 54 Sc 0.75000000000000 0.25000000000000 0.00207774268598 44.956 > 54 55 Sc 0.00000000000000 0.00000000000000 0.25207774268598 44.956 > 55 56 Sc 0.50000000000000 0.00000000000000 0.24792225731402 44.956 > 56 57 Sc 0.75000000000000 0.25000000000000 0.83359256170267 44.956 > 49 58 Sc 0.75000000000000 0.25000000000000 0.66640743829733 44.956 > 50 59 Sc 0.50000000000000 0.50000000000000 0.91640743829733 44.956 > 51 60 Sc 0.00000000000000 0.50000000000000 0.58359256170267 44.956 > 52 61 Sc 0.75000000000000 0.75000000000000 0.99792225731402 44.956 > 53 62 Sc 0.75000000000000 0.75000000000000 0.50207774268598 44.956 > 54 63 Sc 0.00000000000000 0.50000000000000 0.75207774268598 44.956 > 55 64 Sc 0.50000000000000 0.50000000000000 0.74792225731402 44.956 > 56 65 Sc 0.25000000000000 0.75000000000000 0.83359256170267 44.956 > 49 66 Sc 0.25000000000000 0.75000000000000 0.66640743829733 44.956 > 50 67 Sc 0.00000000000000 0.00000000000000 0.91640743829733 44.956 > 51 68 Sc 0.50000000000000 0.00000000000000 0.58359256170267 44.956 > 52 69 Sc 0.25000000000000 0.25000000000000 0.99792225731402 44.956 > 53 70 Sc 0.25000000000000 0.25000000000000 0.50207774268598 44.956 > 54 71 Sc 0.50000000000000 0.00000000000000 0.75207774268598 44.956 > 55 72 Sc 0.00000000000000 0.00000000000000 0.74792225731402 44.956 > 56 73 Sc 0.25000000000000 0.25000000000000 0.33359256170267 44.956 > 49 74 Sc 0.25000000000000 0.25000000000000 0.16640743829733 44.956 > 50 75 Sc 0.00000000000000 0.50000000000000 0.41640743829733 44.956 > 51 76 Sc 0.50000000000000 0.50000000000000 0.08359256170267 44.956 > 52 77 Sc 0.25000000000000 0.75000000000000 0.49792225731402 44.956 > 53 78 Sc 0.25000000000000 0.75000000000000 0.00207774268598 44.956 > 54 79 Sc 0.50000000000000 0.50000000000000 0.25207774268598 44.956 > 55 80 Sc 0.00000000000000 0.50000000000000 0.24792225731402 44.956 > 56 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.9283549 0.0000000 0.0000000 0.0000000 8.6166483 0.0000000 0.0000000 0.0000000 8.7202181 -------------------------- Born effective charges -------------------------- 1 S -1.6228562 0.0000000 0.0000000 0.0000000 -3.7836378 -0.0865251 0.0000000 -0.1497177 -2.3725032 2 S -1.6228562 0.0000000 0.0000000 0.0000000 -3.7836378 0.0865251 0.0000000 0.1497177 -2.3725032 3 S -1.6228562 0.0000000 0.0000000 0.0000000 -3.7836378 -0.0865251 0.0000000 -0.1497177 -2.3725032 4 S -1.6228562 0.0000000 0.0000000 0.0000000 -3.7836378 0.0865251 0.0000000 0.1497177 -2.3725032 5 S -3.2375621 -0.2609917 0.9201304 -0.2489638 -2.1070487 -0.2326006 0.8683161 -0.2654193 -2.9626655 6 S -3.2375621 0.2609917 -0.9201304 0.2489638 -2.1070487 -0.2326006 -0.8683161 -0.2654193 -2.9626655 7 S -3.2375621 0.2609917 0.9201304 0.2489638 -2.1070487 0.2326006 0.8683161 0.2654193 -2.9626655 8 S -3.2375621 -0.2609917 -0.9201304 -0.2489638 -2.1070487 0.2326006 -0.8683161 0.2654193 -2.9626655 9 S -3.2375621 -0.2609917 0.9201304 -0.2489638 -2.1070487 -0.2326006 0.8683161 -0.2654193 -2.9626655 10 S -3.2375621 0.2609917 -0.9201304 0.2489638 -2.1070487 -0.2326006 -0.8683161 -0.2654193 -2.9626655 11 S -3.2375621 0.2609917 0.9201304 0.2489638 -2.1070487 0.2326006 0.8683161 0.2654193 -2.9626655 12 S -3.2375621 -0.2609917 -0.9201304 -0.2489638 -2.1070487 0.2326006 -0.8683161 0.2654193 -2.9626655 13 Sc 3.1889085 -0.6945229 0.0000000 -0.6256607 3.3727709 0.0000000 0.0000000 0.0000000 4.8637027 14 Sc 3.1889085 0.6945229 0.0000000 0.6256607 3.3727709 0.0000000 0.0000000 0.0000000 4.8637027 15 Sc 3.1889085 -0.6945229 0.0000000 -0.6256607 3.3727709 0.0000000 0.0000000 0.0000000 4.8637027 16 Sc 3.1889085 0.6945229 0.0000000 0.6256607 3.3727709 0.0000000 0.0000000 0.0000000 4.8637027 17 Sc 4.9090720 1.2895361 0.0000000 1.4720265 4.6249642 0.0000000 0.0000000 0.0000000 3.4341315 18 Sc 4.9090720 -1.2895361 0.0000000 -1.4720265 4.6249642 0.0000000 0.0000000 0.0000000 3.4341315 19 Sc 4.9090720 1.2895361 0.0000000 1.4720265 4.6249642 0.0000000 0.0000000 0.0000000 3.4341315 20 Sc 4.9090720 -1.2895361 0.0000000 -1.4720265 4.6249642 0.0000000 0.0000000 0.0000000 3.4341315 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (xxz) -0.00000001 (xxz) -0.00000001 (xzx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (yx) 0.00000001 (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 2026-01-07 18:31:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:31:44]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 1] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: Fddd (70) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 5.137783175000000 10.914499844999998 b 3.659427490000000 0.000000000000000 10.914499844999998 c 3.659427490000000 5.137783175000000 0.000000000000000 Atomic positions (fractional): 1 S 0.00631537023105 0.49368462976895 0.49368462976895 32.065 2 S 0.49368462976895 0.00631537023105 0.00631537023105 32.065 3 S 0.24368462976895 0.75631537023105 0.75631537023105 32.065 4 S 0.75631537023105 0.24368462976895 0.24368462976895 32.065 5 S 0.40944619380093 0.92783107345592 0.58497937247451 32.065 6 S 0.07774336026864 0.58497937247451 0.92783107345592 32.065 7 S 0.58497937247451 0.07774336026865 0.40944619380093 32.065 8 S 0.92783107345592 0.40944619380092 0.07774336026865 32.065 9 S 0.84055380619907 0.32216892654408 0.66502062752549 32.065 10 S 0.17225663973135 0.66502062752549 0.32216892654408 32.065 11 S 0.66502062752549 0.17225663973136 0.84055380619907 32.065 12 S 0.32216892654408 0.84055380619907 0.17225663973135 32.065 13 Sc 0.33359256170267 0.33359256170267 0.16640743829733 44.956 14 Sc 0.16640743829733 0.16640743829733 0.33359256170267 44.956 15 Sc 0.91640743829733 0.91640743829733 0.08359256170267 44.956 16 Sc 0.08359256170267 0.08359256170267 0.91640743829733 44.956 17 Sc 0.99792225731402 0.99792225731402 0.50207774268598 44.956 18 Sc 0.50207774268598 0.50207774268598 0.99792225731402 44.956 19 Sc 0.25207774268598 0.25207774268598 0.74792225731402 44.956 20 Sc 0.74792225731402 0.74792225731402 0.25207774268598 44.956 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.318854980000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.275566350000000 0.000000000000000 c 0.000000000000000 0.000000000000000 21.828999689999996 Atomic positions (fractional): 1 S 0.99368462976895 0.75000000000000 0.25000000000000 32.065 > 1 2 S 0.50631537023105 0.75000000000000 0.25000000000000 32.065 > 2 3 S 0.75631537023105 0.00000000000000 0.00000000000000 32.065 > 3 4 S 0.24368462976895 0.00000000000000 0.00000000000000 32.065 > 4 5 S 0.75640522296521 0.99721278313772 0.16863863362842 32.065 > 5 6 S 0.25640522296522 0.00278721686228 0.33136136637158 32.065 > 6 7 S 0.74359477703479 0.99721278313772 0.33136136637158 32.065 > 7 8 S 0.24359477703478 0.00278721686228 0.16863863362842 32.065 > 8 9 S 0.49359477703478 0.25278721686228 0.08136136637158 32.065 > 9 10 S 0.99359477703479 0.74721278313772 0.41863863362842 32.065 > 10 11 S 0.00640522296522 0.25278721686228 0.41863863362842 32.065 > 11 12 S 0.50640522296521 0.74721278313772 0.08136136637158 32.065 > 12 13 S 0.99368462976895 0.25000000000000 0.75000000000000 32.065 > 1 14 S 0.50631537023105 0.25000000000000 0.75000000000000 32.065 > 2 15 S 0.75631537023105 0.50000000000000 0.50000000000000 32.065 > 3 16 S 0.24368462976895 0.50000000000000 0.50000000000000 32.065 > 4 17 S 0.75640522296521 0.49721278313772 0.66863863362842 32.065 > 5 18 S 0.25640522296522 0.50278721686228 0.83136136637158 32.065 > 6 19 S 0.74359477703479 0.49721278313772 0.83136136637158 32.065 > 7 20 S 0.24359477703478 0.50278721686228 0.66863863362842 32.065 > 8 21 S 0.49359477703478 0.75278721686228 0.58136136637158 32.065 > 9 22 S 0.99359477703479 0.24721278313772 0.91863863362842 32.065 > 10 23 S 0.00640522296522 0.75278721686228 0.91863863362842 32.065 > 11 24 S 0.50640522296521 0.24721278313772 0.58136136637158 32.065 > 12 25 S 0.49368462976895 0.75000000000000 0.75000000000000 32.065 > 1 26 S 0.00631537023104 0.75000000000000 0.75000000000000 32.065 > 2 27 S 0.25631537023105 0.00000000000000 0.50000000000000 32.065 > 3 28 S 0.74368462976895 0.00000000000000 0.50000000000000 32.065 > 4 29 S 0.25640522296522 0.99721278313772 0.66863863362842 32.065 > 5 30 S 0.75640522296521 0.00278721686228 0.83136136637158 32.065 > 6 31 S 0.24359477703478 0.99721278313772 0.83136136637158 32.065 > 7 32 S 0.74359477703479 0.00278721686228 0.66863863362842 32.065 > 8 33 S 0.99359477703479 0.25278721686228 0.58136136637158 32.065 > 9 34 S 0.49359477703478 0.74721278313772 0.91863863362842 32.065 > 10 35 S 0.50640522296521 0.25278721686228 0.91863863362842 32.065 > 11 36 S 0.00640522296522 0.74721278313772 0.58136136637158 32.065 > 12 37 S 0.49368462976895 0.25000000000000 0.25000000000000 32.065 > 1 38 S 0.00631537023104 0.25000000000000 0.25000000000000 32.065 > 2 39 S 0.25631537023105 0.50000000000000 0.00000000000000 32.065 > 3 40 S 0.74368462976895 0.50000000000000 0.00000000000000 32.065 > 4 41 S 0.25640522296522 0.49721278313772 0.16863863362842 32.065 > 5 42 S 0.75640522296521 0.50278721686228 0.33136136637158 32.065 > 6 43 S 0.24359477703478 0.49721278313772 0.33136136637158 32.065 > 7 44 S 0.74359477703479 0.50278721686228 0.16863863362842 32.065 > 8 45 S 0.99359477703479 0.75278721686228 0.08136136637158 32.065 > 9 46 S 0.49359477703478 0.24721278313772 0.41863863362842 32.065 > 10 47 S 0.50640522296521 0.75278721686228 0.41863863362842 32.065 > 11 48 S 0.00640522296522 0.24721278313772 0.08136136637158 32.065 > 12 49 Sc 0.75000000000000 0.75000000000000 0.33359256170267 44.956 > 49 50 Sc 0.75000000000000 0.75000000000000 0.16640743829733 44.956 > 50 51 Sc 0.50000000000000 0.00000000000000 0.41640743829733 44.956 > 51 52 Sc 0.00000000000000 0.00000000000000 0.08359256170267 44.956 > 52 53 Sc 0.75000000000000 0.25000000000000 0.49792225731402 44.956 > 53 54 Sc 0.75000000000000 0.25000000000000 0.00207774268598 44.956 > 54 55 Sc 0.00000000000000 0.00000000000000 0.25207774268598 44.956 > 55 56 Sc 0.50000000000000 0.00000000000000 0.24792225731402 44.956 > 56 57 Sc 0.75000000000000 0.25000000000000 0.83359256170267 44.956 > 49 58 Sc 0.75000000000000 0.25000000000000 0.66640743829733 44.956 > 50 59 Sc 0.50000000000000 0.50000000000000 0.91640743829733 44.956 > 51 60 Sc 0.00000000000000 0.50000000000000 0.58359256170267 44.956 > 52 61 Sc 0.75000000000000 0.75000000000000 0.99792225731402 44.956 > 53 62 Sc 0.75000000000000 0.75000000000000 0.50207774268598 44.956 > 54 63 Sc 0.00000000000000 0.50000000000000 0.75207774268598 44.956 > 55 64 Sc 0.50000000000000 0.50000000000000 0.74792225731402 44.956 > 56 65 Sc 0.25000000000000 0.75000000000000 0.83359256170267 44.956 > 49 66 Sc 0.25000000000000 0.75000000000000 0.66640743829733 44.956 > 50 67 Sc 0.00000000000000 0.00000000000000 0.91640743829733 44.956 > 51 68 Sc 0.50000000000000 0.00000000000000 0.58359256170267 44.956 > 52 69 Sc 0.25000000000000 0.25000000000000 0.99792225731402 44.956 > 53 70 Sc 0.25000000000000 0.25000000000000 0.50207774268598 44.956 > 54 71 Sc 0.50000000000000 0.00000000000000 0.75207774268598 44.956 > 55 72 Sc 0.00000000000000 0.00000000000000 0.74792225731402 44.956 > 56 73 Sc 0.25000000000000 0.25000000000000 0.33359256170267 44.956 > 49 74 Sc 0.25000000000000 0.25000000000000 0.16640743829733 44.956 > 50 75 Sc 0.00000000000000 0.50000000000000 0.41640743829733 44.956 > 51 76 Sc 0.50000000000000 0.50000000000000 0.08359256170267 44.956 > 52 77 Sc 0.25000000000000 0.75000000000000 0.49792225731402 44.956 > 53 78 Sc 0.25000000000000 0.75000000000000 0.00207774268598 44.956 > 54 79 Sc 0.50000000000000 0.50000000000000 0.25207774268598 44.956 > 55 80 Sc 0.00000000000000 0.50000000000000 0.24792225731402 44.956 > 56 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 8.9283549 0.0000000 0.0000000 0.0000000 8.6166483 0.0000000 0.0000000 0.0000000 8.7202181 -------------------------- Born effective charges -------------------------- 1 S -1.6228562 0.0000000 0.0000000 0.0000000 -3.7836378 -0.0865251 0.0000000 -0.1497177 -2.3725032 2 S -1.6228562 0.0000000 0.0000000 0.0000000 -3.7836378 0.0865251 0.0000000 0.1497177 -2.3725032 3 S -1.6228562 0.0000000 0.0000000 0.0000000 -3.7836378 -0.0865251 0.0000000 -0.1497177 -2.3725032 4 S -1.6228562 0.0000000 0.0000000 0.0000000 -3.7836378 0.0865251 0.0000000 0.1497177 -2.3725032 5 S -3.2375621 -0.2609917 0.9201304 -0.2489638 -2.1070487 -0.2326006 0.8683161 -0.2654193 -2.9626655 6 S -3.2375621 0.2609917 -0.9201304 0.2489638 -2.1070487 -0.2326006 -0.8683161 -0.2654193 -2.9626655 7 S -3.2375621 0.2609917 0.9201304 0.2489638 -2.1070487 0.2326006 0.8683161 0.2654193 -2.9626655 8 S -3.2375621 -0.2609917 -0.9201304 -0.2489638 -2.1070487 0.2326006 -0.8683161 0.2654193 -2.9626655 9 S -3.2375621 -0.2609917 0.9201304 -0.2489638 -2.1070487 -0.2326006 0.8683161 -0.2654193 -2.9626655 10 S -3.2375621 0.2609917 -0.9201304 0.2489638 -2.1070487 -0.2326006 -0.8683161 -0.2654193 -2.9626655 11 S -3.2375621 0.2609917 0.9201304 0.2489638 -2.1070487 0.2326006 0.8683161 0.2654193 -2.9626655 12 S -3.2375621 -0.2609917 -0.9201304 -0.2489638 -2.1070487 0.2326006 -0.8683161 0.2654193 -2.9626655 13 Sc 3.1889085 -0.6945229 0.0000000 -0.6256607 3.3727709 0.0000000 0.0000000 0.0000000 4.8637027 14 Sc 3.1889085 0.6945229 0.0000000 0.6256607 3.3727709 0.0000000 0.0000000 0.0000000 4.8637027 15 Sc 3.1889085 -0.6945229 0.0000000 -0.6256607 3.3727709 0.0000000 0.0000000 0.0000000 4.8637027 16 Sc 3.1889085 0.6945229 0.0000000 0.6256607 3.3727709 0.0000000 0.0000000 0.0000000 4.8637027 17 Sc 4.9090720 1.2895361 0.0000000 1.4720265 4.6249642 0.0000000 0.0000000 0.0000000 3.4341315 18 Sc 4.9090720 -1.2895361 0.0000000 -1.4720265 4.6249642 0.0000000 0.0000000 0.0000000 3.4341315 19 Sc 4.9090720 1.2895361 0.0000000 1.4720265 4.6249642 0.0000000 0.0000000 0.0000000 3.4341315 20 Sc 4.9090720 -1.2895361 0.0000000 -1.4720265 4.6249642 0.0000000 0.0000000 0.0000000 3.4341315 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (xxz) -0.00000001 (xxz) -0.00000001 (xzx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 9 ] 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: 0.56, Number of G-points: 313, Lambda: 0.17 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/125) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.278 ( 0.000 0.000 0.000) 0.000 3.188 ( 0.000 0.000 0.000) 0.000 3.591 ( 0.000 0.000 0.000) 0.000 3.652 ( 0.000 0.000 0.000) 0.000 3.700 ( 0.000 0.000 0.000) 0.000 4.084 ( 0.000 0.000 0.000) 0.000 4.368 ( 0.000 0.000 0.000) 0.000 4.435 ( 0.000 0.000 0.000) 0.000 4.576 ( 0.000 0.000 0.000) 0.000 4.635 ( 0.000 0.000 0.000) 0.000 4.649 ( 0.000 0.000 0.000) 0.000 4.712 ( 0.000 0.000 0.000) 0.000 4.860 ( 0.000 0.000 0.000) 0.000 5.221 ( 0.000 0.000 0.000) 0.000 5.539 ( 0.000 0.000 0.000) 0.000 5.744 ( 0.000 0.000 0.000) 0.000 5.789 ( 0.000 0.000 0.000) 0.000 5.792 ( 0.000 0.000 0.000) 0.000 6.009 ( 0.000 0.000 0.000) 0.000 6.136 ( 0.000 0.000 0.000) 0.000 6.203 ( 0.000 0.000 0.000) 0.000 6.664 ( 0.000 0.000 0.000) 0.000 6.806 ( 0.000 0.000 0.000) 0.000 6.815 ( 0.000 0.000 0.000) 0.000 6.830 ( 0.000 0.000 0.000) 0.000 6.969 ( 0.000 0.000 0.000) 0.000 7.037 ( 0.000 0.000 0.000) 0.000 7.078 ( 0.000 0.000 0.000) 0.000 7.209 ( 0.000 0.000 0.000) 0.000 7.226 ( 0.000 0.000 0.000) 0.000 7.227 ( 0.000 0.000 0.000) 0.000 7.330 ( 0.000 0.000 0.000) 0.000 7.517 ( 0.000 0.000 0.000) 0.000 7.640 ( 0.000 0.000 0.000) 0.000 7.823 ( 0.000 0.000 0.000) 0.000 7.925 ( 0.000 0.000 0.000) 0.000 7.965 ( 0.000 0.000 0.000) 0.000 8.040 ( 0.000 0.000 0.000) 0.000 8.108 ( 0.000 0.000 0.000) 0.000 8.480 ( 0.000 0.000 0.000) 0.000 8.490 ( 0.000 0.000 0.000) 0.000 8.655 ( 0.000 0.000 0.000) 0.000 8.740 ( 0.000 0.000 0.000) 0.000 8.742 ( 0.000 0.000 0.000) 0.000 8.743 ( 0.000 0.000 0.000) 0.000 8.862 ( 0.000 0.000 0.000) 0.000 8.874 ( 0.000 0.000 0.000) 0.000 9.368 ( 0.000 0.000 0.000) 0.000 9.587 ( 0.000 0.000 0.000) 0.000 9.695 ( 0.000 0.000 0.000) 0.000 9.725 ( 0.000 0.000 0.000) 0.000 9.817 ( 0.000 0.000 -0.000) 0.000 9.921 ( 0.000 0.000 0.000) 0.000 10.188 ( 0.000 0.000 0.000) 0.000 10.329 ( 0.000 0.000 -0.000) 0.000 11.066 ( 0.000 0.000 0.000) 0.000 11.077 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/125) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.752 ( -31.216 20.491 7.695) 38.125 0.796 ( -32.328 20.454 14.264) 40.828 1.090 ( -39.143 36.160 16.034) 55.649 2.402 ( -3.768 18.849 -5.162) 19.903 3.223 ( -9.717 0.149 -19.892) 22.139 3.540 ( 3.953 -6.175 3.978) 8.341 3.634 ( -0.023 1.172 -1.547) 1.941 3.736 ( 2.513 1.400 16.870) 17.114 4.135 ( -6.282 -1.603 2.395) 6.911 4.375 ( -0.761 -8.079 -5.423) 9.760 4.414 ( 3.748 8.202 -0.867) 9.059 4.533 ( 2.627 -4.254 -0.006) 5.000 4.630 ( 3.928 1.591 -4.837) 6.431 4.684 ( 0.964 3.808 2.952) 4.914 4.742 ( -4.982 6.095 -4.431) 9.033 4.830 ( 3.575 -0.659 0.537) 3.675 5.207 ( -0.675 -3.062 -1.733) 3.583 5.555 ( 6.605 2.371 -0.582) 7.042 5.644 ( 3.648 -7.402 3.752) 9.065 5.762 ( 4.662 3.657 -5.150) 7.850 5.823 ( 7.120 7.521 3.649) 10.981 6.020 ( -0.624 -0.392 -0.108) 0.745 6.215 ( -4.577 -4.852 0.354) 6.680 6.341 ( -7.763 -13.794 -1.012) 15.861 6.723 ( -7.120 0.438 -0.863) 7.186 6.792 ( 1.993 0.861 1.428) 2.599 6.805 ( 2.945 0.369 0.498) 3.010 6.972 ( -8.839 -10.623 -2.892) 14.119 7.000 ( -0.817 3.803 0.383) 3.909 7.060 ( 0.300 0.567 -3.381) 3.441 7.095 ( -4.982 -7.581 0.577) 9.090 7.125 ( 4.194 3.299 -3.065) 6.154 7.258 ( 2.324 1.917 7.241) 7.843 7.356 ( -0.655 0.860 4.806) 4.926 7.541 ( -3.620 1.067 -2.963) 4.798 7.621 ( -1.868 12.383 3.855) 13.103 7.814 ( 0.527 -1.996 -0.695) 2.178 7.879 ( 3.311 -4.885 0.957) 5.979 7.922 ( 1.878 -1.391 -0.703) 2.440 7.971 ( 7.753 0.363 0.712) 7.794 8.177 ( -8.619 -1.082 0.868) 8.730 8.256 ( -0.244 -10.196 6.911) 12.320 8.525 ( -2.743 -1.541 0.143) 3.150 8.648 ( -3.416 -5.169 -3.817) 7.277 8.663 ( -3.232 -1.781 -0.408) 3.713 8.765 ( -7.055 -2.743 0.652) 7.598 8.809 ( -6.143 -0.640 -2.513) 6.668 8.854 ( -0.448 -2.126 2.408) 3.243 8.872 ( -2.508 -3.519 4.256) 6.066 9.235 ( 9.020 2.235 -7.195) 11.752 9.352 ( 5.470 -4.961 1.955) 7.639 9.555 ( -0.334 -1.730 -3.434) 3.859 9.722 ( 2.094 -0.598 0.781) 2.314 9.804 ( 8.251 5.406 -1.083) 9.923 9.831 ( 7.135 5.270 -10.207) 13.523 10.167 ( -6.477 -8.186 10.437) 14.761 10.397 ( -6.820 -0.277 3.896) 7.859 10.925 ( 9.408 3.176 -16.828) 19.539 11.094 ( 10.415 3.088 15.291) 18.757 11.675 ( 3.791 0.234 -0.347) 3.814 ======================= Grid point 2 (3/125) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( -27.435 18.504 6.642) 33.752 1.558 ( -30.691 18.345 13.439) 38.198 2.098 ( -33.541 30.914 14.249) 47.788 2.701 ( -6.059 27.068 -9.506) 29.322 3.214 ( -2.872 1.792 -24.971) 25.199 3.510 ( -5.962 -4.459 3.468) 8.213 3.654 ( -1.472 1.256 2.836) 3.433 3.834 ( 0.860 3.961 18.773) 19.205 4.231 ( -3.704 -6.513 0.184) 7.495 4.269 ( -3.397 -6.323 4.504) 8.473 4.420 ( 2.063 -6.777 -3.840) 8.058 4.444 ( 4.563 7.352 -0.333) 8.659 4.508 ( 4.760 0.083 -14.043) 14.828 4.724 ( 6.487 2.354 2.274) 7.266 4.761 ( 1.159 3.217 1.807) 3.868 4.880 ( -4.419 5.211 -2.916) 7.429 5.153 ( 1.077 -4.814 -0.493) 4.957 5.445 ( 5.207 -3.759 -1.406) 6.574 5.531 ( 5.218 -4.097 1.700) 6.849 5.696 ( 4.487 2.068 -3.681) 6.161 5.779 ( 7.675 2.514 4.155) 9.083 5.983 ( 2.661 -4.061 -1.865) 5.201 6.241 ( -4.398 -3.761 1.143) 5.898 6.288 ( -5.108 -13.613 0.994) 14.573 6.750 ( 2.466 0.998 -0.958) 2.828 6.775 ( 2.752 2.855 1.050) 4.103 6.878 ( -9.234 -3.221 0.612) 9.799 6.984 ( -5.463 -5.529 -0.791) 7.813 7.000 ( 2.673 0.998 -2.604) 3.864 7.050 ( 1.507 -0.299 1.345) 2.042 7.098 ( -3.070 4.728 -3.672) 6.728 7.196 ( -7.458 -1.509 4.086) 8.637 7.289 ( 1.035 3.727 6.349) 7.434 7.408 ( -0.748 1.580 5.701) 5.963 7.606 ( -3.395 1.545 -1.057) 3.877 7.693 ( 4.988 -1.721 -2.944) 6.042 7.713 ( 5.438 -3.931 -0.383) 6.721 7.811 ( -1.247 -1.642 -4.031) 4.527 7.910 ( 3.333 3.082 1.523) 4.788 7.919 ( -4.162 1.806 0.155) 4.540 8.164 ( 2.369 -8.723 8.169) 12.183 8.322 ( -8.925 -3.914 3.613) 10.394 8.508 ( 0.409 -2.733 0.404) 2.792 8.558 ( 2.745 -3.872 -2.973) 5.600 8.753 ( -6.960 -4.027 -3.111) 8.622 8.797 ( -0.776 -1.499 -0.421) 1.739 8.879 ( -5.657 -3.052 5.948) 8.758 8.923 ( -7.098 -0.728 0.142) 7.137 8.954 ( -8.479 -1.969 2.062) 8.945 9.053 ( -1.956 -13.227 -0.817) 13.396 9.220 ( 1.655 -6.671 -4.815) 8.392 9.546 ( 4.582 3.348 1.947) 6.000 9.599 ( 11.022 1.025 -7.711) 13.490 9.680 ( 5.752 0.318 -0.038) 5.761 9.783 ( 5.564 3.457 0.039) 6.551 10.210 ( -3.878 -4.577 -0.005) 5.999 10.542 ( -4.441 2.326 7.250) 8.814 10.706 ( 12.773 4.497 -11.814) 17.971 10.981 ( 18.554 4.473 11.511) 22.288 11.592 ( 5.168 -0.342 -4.738) 7.019 ======================= Grid point 3 (4/125) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( -20.519 14.066 4.852) 25.346 2.247 ( -27.343 14.705 12.146) 33.337 2.745 ( -11.071 9.406 1.758) 14.633 3.043 ( -2.333 19.917 -7.091) 21.270 3.243 ( -11.818 17.486 -11.745) 24.153 3.589 ( -8.320 -3.803 -2.603) 9.511 3.784 ( -5.141 9.011 7.685) 12.911 3.929 ( 3.078 0.444 10.765) 11.205 4.141 ( -1.077 -5.645 0.323) 5.756 4.264 ( 6.965 -3.396 -4.116) 8.774 4.294 ( -0.053 -6.442 -3.573) 7.367 4.431 ( -10.159 -5.648 2.443) 11.877 4.503 ( 3.492 10.038 -1.651) 10.756 4.613 ( 8.986 1.462 1.373) 9.207 4.821 ( 0.708 1.607 6.215) 6.458 4.903 ( 2.777 2.234 -8.348) 9.077 5.093 ( 0.197 -2.471 -1.675) 2.991 5.341 ( 1.437 -3.752 -0.067) 4.018 5.421 ( 5.225 -2.514 0.565) 5.826 5.622 ( 4.234 -2.486 -0.462) 4.932 5.706 ( 5.089 0.331 1.651) 5.360 5.833 ( 5.393 -9.083 -2.934) 10.963 6.222 ( -3.706 -10.773 1.615) 11.507 6.274 ( -1.924 -0.994 0.174) 2.172 6.726 ( 1.500 1.079 0.214) 1.860 6.784 ( 2.083 3.811 1.319) 4.539 6.909 ( -1.811 -3.902 -1.028) 4.423 6.966 ( 0.595 0.180 -2.038) 2.130 7.006 ( -4.241 -3.135 -1.937) 5.618 7.065 ( -2.642 -2.077 1.644) 3.741 7.153 ( -0.953 0.946 -0.574) 1.460 7.262 ( 1.362 0.633 1.892) 2.416 7.413 ( -5.410 1.530 2.205) 6.039 7.485 ( -4.453 2.998 6.502) 8.432 7.550 ( 7.467 3.254 0.125) 8.147 7.629 ( 0.187 -2.373 0.190) 2.388 7.662 ( -1.354 0.313 -2.698) 3.035 7.799 ( -4.646 -1.963 -8.486) 9.872 7.886 ( 2.802 -0.821 3.941) 4.905 8.008 ( 0.905 1.331 -0.966) 1.877 8.101 ( -0.821 -4.049 7.511) 8.572 8.340 ( 0.741 -4.070 3.180) 5.218 8.476 ( 1.199 -2.383 1.354) 2.991 8.499 ( 0.601 -2.195 -2.365) 3.283 8.741 ( -4.637 -8.483 -0.447) 9.678 8.774 ( 1.070 -5.420 0.153) 5.527 8.873 ( -0.929 -4.660 2.653) 5.442 8.977 ( -7.042 -3.054 -0.124) 7.676 9.041 ( -9.937 -4.567 -7.424) 13.218 9.163 ( -3.392 -1.339 -0.207) 3.652 9.200 ( -12.505 -1.572 3.518) 13.085 9.425 ( 2.790 -0.338 0.031) 2.811 9.500 ( 8.719 2.817 1.435) 9.274 9.600 ( 9.011 2.554 4.864) 10.554 9.749 ( 1.976 0.293 1.527) 2.515 10.192 ( -1.932 -1.650 -9.899) 10.220 10.401 ( 14.119 2.193 -12.629) 19.069 10.749 ( 9.160 2.359 9.222) 13.211 10.784 ( 6.741 4.746 11.321) 14.005 11.469 ( 5.867 -0.763 -7.290) 9.388 ======================= Grid point 4 (5/125) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.384 ( -8.484 5.546 1.939) 10.320 2.783 ( -14.626 9.087 6.404) 18.371 2.861 ( -6.183 -2.227 4.853) 8.170 3.058 ( 6.250 7.235 -12.843) 16.011 3.541 ( 1.433 1.926 1.932) 3.082 3.690 ( -10.538 4.295 -6.716) 13.214 3.808 ( 7.969 -0.226 4.514) 9.162 4.026 ( -2.497 3.741 1.137) 4.639 4.134 ( -1.826 -1.291 0.335) 2.261 4.196 ( -3.678 6.884 -1.306) 7.914 4.310 ( -6.843 -9.093 0.724) 11.403 4.439 ( 5.952 2.996 3.218) 7.400 4.557 ( -0.262 -1.437 0.632) 1.592 4.564 ( 0.696 4.936 1.136) 5.112 4.755 ( 5.540 -1.926 1.716) 6.112 4.900 ( -2.077 0.852 -2.072) 3.055 5.080 ( -0.952 2.007 -4.156) 4.713 5.269 ( 4.375 -4.675 1.196) 6.513 5.356 ( -0.479 -1.758 2.931) 3.451 5.543 ( 3.739 2.222 -2.273) 4.907 5.602 ( 2.436 -9.269 -1.432) 9.690 5.693 ( 2.053 -0.491 -0.109) 2.114 6.186 ( -1.352 -3.950 0.907) 4.272 6.281 ( -0.309 -0.420 -0.449) 0.688 6.727 ( 0.273 0.602 0.451) 0.800 6.790 ( 1.077 0.958 0.210) 1.457 6.907 ( -0.013 1.888 0.027) 1.888 6.965 ( -1.022 0.310 -0.409) 1.143 7.008 ( -1.926 -4.803 -2.065) 5.572 7.088 ( -3.627 -0.798 -0.843) 3.809 7.143 ( 3.860 -0.805 4.823) 6.230 7.219 ( 1.874 0.080 -2.886) 3.442 7.497 ( -3.235 2.308 0.873) 4.068 7.527 ( 2.572 4.419 2.019) 5.498 7.561 ( 0.811 -0.668 1.272) 1.650 7.643 ( -1.040 -1.634 -0.874) 2.125 7.689 ( -3.004 -0.620 -0.198) 3.074 7.817 ( -4.572 -0.005 -6.499) 7.947 7.871 ( -1.673 -1.305 0.286) 2.141 7.929 ( 7.375 -0.444 5.364) 9.130 8.155 ( -2.236 0.712 1.873) 3.002 8.316 ( 1.383 1.227 -0.663) 1.964 8.430 ( -1.268 -7.811 5.253) 9.498 8.448 ( 2.810 2.296 -5.087) 6.248 8.688 ( -1.414 -6.956 5.097) 8.739 8.756 ( -0.277 1.118 -5.628) 5.745 8.855 ( -1.104 -2.467 0.775) 2.811 9.035 ( -4.837 -4.949 -0.822) 6.969 9.049 ( 1.022 2.761 -3.718) 4.742 9.232 ( -3.694 -1.507 2.017) 4.470 9.307 ( -5.243 -1.954 2.288) 6.045 9.426 ( 3.991 3.564 -1.183) 5.481 9.501 ( 4.630 0.940 2.171) 5.200 9.572 ( -7.193 1.878 5.435) 9.209 9.726 ( 0.012 -2.751 2.616) 3.796 10.065 ( 11.922 2.274 -7.572) 14.305 10.281 ( -6.517 -1.271 -10.278) 12.236 10.535 ( 15.092 1.749 6.484) 16.519 10.929 ( -3.440 1.711 7.348) 8.292 11.346 ( 3.648 -0.688 -5.344) 6.506 ======================= Grid point 10 (6/125) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.344 ( 0.000 -0.000 33.566) 33.566 0.405 ( 0.000 -0.000 39.686) 39.686 0.667 ( 0.000 -0.000 65.130) 65.130 2.225 ( -0.000 0.000 -10.008) 10.008 3.025 ( -0.000 0.000 -26.718) 26.718 3.616 ( 0.000 -0.000 4.432) 4.432 3.628 ( -0.000 0.000 -0.307) 0.307 3.860 ( 0.000 -0.000 21.875) 21.875 4.088 ( -0.000 0.000 -0.991) 0.991 4.363 ( -0.000 0.000 -10.182) 10.182 4.367 ( -0.000 0.000 -0.110) 0.110 4.615 ( -0.000 0.000 -15.361) 15.361 4.635 ( 0.000 -0.000 0.031) 0.031 4.637 ( 0.000 -0.000 7.917) 7.917 4.650 ( 0.000 -0.000 0.007) 0.007 4.863 ( 0.000 -0.000 0.854) 0.854 5.197 ( -0.000 0.000 -4.324) 4.324 5.563 ( 0.000 -0.000 4.368) 4.368 5.738 ( -0.000 0.000 -10.343) 10.343 5.789 ( -0.000 0.000 -0.041) 0.041 5.799 ( 0.000 -0.000 9.536) 9.536 6.139 ( 0.000 -0.000 0.615) 0.615 6.202 ( -0.000 0.000 -0.167) 0.167 6.211 ( -0.000 0.000 -0.639) 0.639 6.666 ( 0.000 -0.000 0.528) 0.528 6.810 ( -0.000 0.000 -0.907) 0.907 6.816 ( 0.000 -0.000 1.715) 1.715 6.838 ( -0.000 0.000 -0.022) 0.022 6.975 ( 0.000 -0.000 1.233) 1.233 7.040 ( 0.000 -0.000 0.595) 0.595 7.079 ( 0.000 -0.000 0.199) 0.199 7.211 ( 0.000 -0.000 0.326) 0.326 7.212 ( -0.000 0.000 -2.646) 2.646 7.379 ( 0.000 -0.000 9.580) 9.580 7.475 ( -0.000 0.000 -6.438) 6.438 7.688 ( 0.000 -0.000 7.722) 7.722 7.822 ( 0.000 -0.000 0.092) 0.092 7.939 ( -0.000 0.000 -3.209) 3.209 7.954 ( 0.000 -0.000 5.453) 5.453 8.071 ( 0.000 -0.000 5.237) 5.237 8.114 ( 0.000 -0.000 1.018) 1.018 8.465 ( -0.000 0.000 -2.837) 2.837 8.478 ( -0.000 0.000 -2.485) 2.485 8.659 ( 0.000 -0.000 0.614) 0.614 8.696 ( -0.000 0.000 -6.560) 6.560 8.702 ( -0.000 0.000 -7.152) 7.152 8.748 ( 0.000 -0.000 1.840) 1.840 8.863 ( 0.000 -0.000 0.235) 0.235 8.927 ( 0.000 -0.000 7.972) 7.972 8.939 ( 0.000 -0.000 2.707) 2.707 9.518 ( -0.000 0.000 -12.188) 12.188 9.650 ( -0.000 0.000 -8.125) 8.125 9.715 ( 0.000 -0.000 1.577) 1.577 9.742 ( 0.000 -0.000 3.501) 3.501 9.815 ( -0.000 0.000 -0.322) 0.322 10.244 ( 0.000 -0.000 9.720) 9.720 10.365 ( 0.000 -0.000 6.281) 6.281 10.885 ( -0.000 0.000 -18.900) 18.900 11.241 ( 0.000 -0.000 15.802) 15.802 11.801 ( -0.000 0.000 -1.043) 1.043 ======================= Grid point 11 (7/125) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( -21.704 20.724 22.194) 37.324 0.986 ( -24.280 23.418 21.784) 40.156 1.405 ( -32.480 19.905 42.816) 57.309 2.302 ( -4.090 18.568 -13.864) 23.531 2.947 ( -7.380 1.261 -31.019) 31.910 3.585 ( 1.764 -5.253 4.175) 6.938 3.644 ( -0.839 0.300 3.011) 3.140 3.931 ( 3.207 1.416 17.155) 17.510 4.156 ( -8.719 -0.831 -1.457) 8.879 4.297 ( -1.322 -4.844 -8.578) 9.940 4.396 ( 3.056 7.396 -2.221) 8.305 4.510 ( 3.542 -3.091 -6.703) 8.187 4.562 ( 3.789 -3.223 -2.903) 5.759 4.656 ( 0.309 5.848 -2.696) 6.448 4.764 ( -1.830 4.963 3.811) 6.520 4.848 ( 1.199 -1.194 3.614) 3.990 5.172 ( -1.680 -2.844 -4.788) 5.817 5.555 ( 4.300 -2.392 -0.934) 5.009 5.650 ( 5.461 -0.212 -7.112) 8.970 5.718 ( 2.307 -1.744 1.735) 3.373 5.874 ( 7.005 7.231 5.925) 11.682 6.018 ( 1.905 -1.448 -0.204) 2.402 6.223 ( -5.243 -4.563 1.077) 7.034 6.328 ( -8.368 -10.007 -1.339) 13.113 6.714 ( -4.391 0.877 -0.611) 4.519 6.801 ( 1.290 -0.766 -0.006) 1.500 6.823 ( 0.224 0.422 2.516) 2.561 6.927 ( -8.387 -3.250 -4.620) 10.112 7.006 ( -0.206 3.678 0.926) 3.799 7.042 ( 0.682 -2.176 -0.015) 2.280 7.095 ( -1.377 -6.440 -0.440) 6.600 7.113 ( -3.912 0.167 0.041) 3.916 7.310 ( 0.794 6.018 2.536) 6.579 7.439 ( -0.626 -1.271 7.932) 8.058 7.496 ( -3.491 2.707 -2.644) 5.148 7.683 ( 2.493 5.453 7.276) 9.429 7.808 ( 1.913 -1.167 -0.134) 2.245 7.877 ( 2.377 -4.950 -1.101) 5.600 7.927 ( 3.835 -2.692 2.504) 5.313 8.006 ( 9.142 1.038 5.171) 10.554 8.198 ( -9.331 -1.290 3.099) 9.917 8.329 ( 2.462 -6.709 5.042) 8.746 8.527 ( -3.519 0.551 -0.262) 3.572 8.588 ( -5.908 -9.402 -6.512) 12.873 8.659 ( -0.359 -0.335 -0.538) 0.729 8.768 ( -8.114 -1.122 -1.111) 8.266 8.791 ( -6.187 -2.803 -0.736) 6.832 8.868 ( -0.221 0.932 1.616) 1.879 8.944 ( -2.484 -6.438 8.081) 10.626 9.141 ( -0.851 5.467 -9.554) 11.040 9.358 ( 7.211 -10.791 -1.892) 13.116 9.482 ( -0.287 2.397 -10.212) 10.494 9.710 ( 5.267 -2.679 -6.725) 8.952 9.753 ( 3.373 0.848 3.401) 4.865 9.800 ( 5.159 6.077 -1.261) 8.071 10.284 ( -0.602 -5.850 10.844) 12.336 10.469 ( -6.466 2.225 8.893) 11.218 10.747 ( 7.932 3.716 -17.870) 19.901 11.242 ( 11.756 2.670 13.559) 18.143 11.667 ( 8.581 0.295 -1.330) 8.689 ======================= Grid point 12 (8/125) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( -22.958 16.983 15.582) 32.531 1.712 ( -24.434 23.277 16.077) 37.380 2.312 ( -29.680 19.864 26.270) 44.335 2.578 ( -8.502 27.990 -13.081) 32.045 2.934 ( -6.444 5.030 -28.717) 29.858 3.554 ( -4.109 -6.571 4.206) 8.817 3.699 ( -2.581 2.496 5.437) 6.515 4.000 ( 1.048 3.047 11.988) 12.413 4.177 ( -1.316 -5.921 -8.741) 10.639 4.295 ( -7.063 -2.163 -10.887) 13.156 4.372 ( 3.619 -2.109 -7.109) 8.251 4.418 ( 3.363 -4.092 8.531) 10.042 4.459 ( 4.090 4.495 3.238) 6.886 4.714 ( -0.614 7.796 -6.239) 10.004 4.737 ( 7.185 1.079 0.809) 7.311 4.918 ( -1.590 1.669 6.186) 6.602 5.132 ( -0.604 -4.049 -2.978) 5.062 5.415 ( 3.625 -4.919 -7.217) 9.456 5.525 ( 6.531 -1.539 -0.672) 6.744 5.687 ( 2.999 0.257 1.836) 3.526 5.822 ( 8.229 1.564 4.123) 9.336 5.957 ( 2.400 -4.887 -3.101) 6.266 6.258 ( -4.135 -4.155 2.137) 6.239 6.300 ( -4.671 -11.947 1.244) 12.888 6.742 ( 1.129 0.680 -0.639) 1.465 6.785 ( 2.106 2.827 0.882) 3.634 6.885 ( -7.217 -3.953 0.627) 8.252 6.969 ( -2.740 -0.551 -2.198) 3.555 6.980 ( -0.501 -4.381 -1.389) 4.623 7.046 ( -0.624 -1.620 -2.081) 2.710 7.085 ( 0.518 6.177 1.304) 6.335 7.229 ( -10.307 -2.321 2.546) 10.867 7.363 ( 1.344 3.424 6.387) 7.370 7.477 ( -1.171 0.129 6.093) 6.206 7.567 ( -2.844 2.451 -4.687) 6.006 7.671 ( 7.006 0.411 -0.729) 7.056 7.721 ( 5.857 -2.020 1.576) 6.393 7.778 ( 0.713 -6.649 -1.803) 6.926 7.921 ( -2.412 4.900 1.950) 5.799 7.953 ( 3.812 0.992 4.861) 6.257 8.244 ( 2.540 -6.038 6.669) 9.348 8.360 ( -8.724 -3.655 3.219) 9.991 8.503 ( -0.031 -4.777 -3.888) 6.159 8.529 ( 1.456 -2.596 0.393) 3.002 8.730 ( -8.001 -3.957 -1.493) 9.050 8.791 ( -0.350 -0.891 -0.560) 1.109 8.913 ( -8.050 -1.626 1.034) 8.277 8.948 ( -4.876 -7.195 2.231) 8.973 8.974 ( -9.930 -2.020 2.805) 10.514 9.038 ( -2.178 -12.303 -1.370) 12.569 9.176 ( 1.509 -5.948 -2.753) 6.725 9.491 ( 3.486 3.186 -11.985) 12.882 9.562 ( 3.798 1.248 0.272) 4.006 9.710 ( 9.870 7.439 5.084) 13.365 9.766 ( 4.390 1.780 -2.100) 5.182 10.232 ( 0.503 -10.138 4.007) 10.913 10.508 ( 11.928 4.199 -13.875) 18.773 10.698 ( -4.957 4.937 9.159) 11.526 11.092 ( 20.089 4.153 10.215) 22.916 11.529 ( 7.999 1.105 -7.287) 10.877 ======================= Grid point 13 (9/125) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( -16.778 13.222 10.307) 23.718 2.372 ( -21.875 19.118 11.600) 31.282 2.749 ( -9.381 6.356 -1.563) 11.439 2.903 ( -0.075 14.852 -19.027) 24.137 3.211 ( -20.856 21.746 5.938) 30.711 3.595 ( -7.492 -6.961 3.273) 10.738 3.855 ( -6.876 6.147 5.286) 10.631 4.016 ( 6.869 -1.490 5.421) 8.876 4.097 ( 0.261 -1.502 -11.058) 11.163 4.197 ( 3.045 -6.164 -0.352) 6.884 4.268 ( -4.084 -1.593 -4.402) 6.212 4.460 ( -1.184 3.013 -0.898) 3.359 4.534 ( -2.273 0.368 7.925) 8.253 4.640 ( 8.707 2.397 4.219) 9.968 4.773 ( -1.529 7.532 -8.970) 11.812 4.902 ( 7.156 -0.012 1.754) 7.368 5.082 ( 0.805 -3.191 1.179) 3.495 5.330 ( -1.955 -3.590 -3.271) 5.236 5.417 ( 5.203 -1.000 -0.753) 5.351 5.624 ( 4.073 -4.124 1.090) 5.898 5.726 ( 6.501 -0.654 1.964) 6.823 5.797 ( 4.271 -10.377 -3.861) 11.867 6.244 ( -3.101 -10.318 2.556) 11.073 6.275 ( -1.461 -1.698 0.054) 2.240 6.733 ( 0.712 0.638 0.940) 1.341 6.797 ( 1.788 3.107 1.082) 3.744 6.900 ( -1.455 -3.591 -0.587) 3.918 6.947 ( 0.551 0.946 -1.697) 2.019 6.982 ( -3.344 -2.959 -2.640) 5.187 7.063 ( -4.534 -2.903 -1.732) 5.656 7.151 ( -0.039 4.870 0.495) 4.896 7.284 ( 1.091 -4.454 1.475) 4.817 7.449 ( -2.679 0.235 4.405) 5.161 7.531 ( 4.657 3.758 -2.898) 6.649 7.547 ( -3.468 5.247 3.417) 7.158 7.637 ( -0.002 0.351 0.201) 0.405 7.652 ( 1.646 -1.277 2.914) 3.583 7.727 ( -3.006 -2.512 -5.440) 6.704 7.923 ( 1.693 -2.722 3.328) 4.621 8.014 ( 0.942 4.165 1.894) 4.671 8.179 ( 2.078 -4.165 7.743) 9.034 8.350 ( 2.418 -2.762 -0.911) 3.782 8.455 ( 1.614 -0.273 -4.716) 4.992 8.521 ( -2.089 -5.970 5.343) 8.280 8.706 ( -1.943 -4.921 -5.040) 7.307 8.791 ( -1.180 -9.438 1.452) 9.622 8.905 ( -1.694 -7.311 2.630) 7.952 8.945 ( -8.266 -5.485 -5.229) 11.214 8.993 ( -6.357 -3.259 -1.320) 7.264 9.178 ( -4.573 -0.226 2.609) 5.270 9.235 ( -12.845 -1.095 3.087) 13.256 9.423 ( -2.646 1.524 -0.110) 3.055 9.512 ( 8.882 2.138 1.046) 9.195 9.665 ( 10.887 3.673 6.941) 13.424 9.743 ( -0.412 4.759 -2.431) 5.360 10.115 ( 1.568 -6.707 -5.052) 8.542 10.270 ( 11.909 1.304 -12.667) 17.435 10.827 ( 13.202 2.856 6.360) 14.930 10.906 ( 4.564 5.066 12.006) 13.807 11.380 ( 6.566 0.899 -9.958) 11.961 ======================= Grid point 14 (10/125) ======================= q-point: ( 0.56 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.420 ( -4.300 5.858 4.945) 8.790 2.795 ( -5.709 7.472 -1.119) 9.470 2.890 ( 3.325 9.547 -9.974) 14.201 2.996 ( -12.806 1.693 8.827) 15.646 3.581 ( 1.619 0.779 3.626) 4.047 3.623 ( -10.202 -3.151 -4.427) 11.559 3.829 ( 4.901 -1.228 -0.204) 5.056 3.990 ( -2.474 4.234 -6.466) 8.115 4.162 ( 2.125 4.486 4.754) 6.873 4.214 ( -10.865 -0.235 3.048) 11.287 4.316 ( -3.710 -7.347 1.105) 8.305 4.470 ( 7.226 4.813 2.724) 9.100 4.535 ( 0.279 1.445 -2.707) 3.081 4.586 ( 2.303 -1.748 0.402) 2.919 4.768 ( 6.340 0.902 1.101) 6.498 4.869 ( -1.263 6.587 -4.052) 7.836 5.072 ( -0.741 0.485 3.064) 3.189 5.264 ( 3.083 -4.083 -2.483) 5.687 5.385 ( -0.083 -2.887 2.994) 4.160 5.512 ( 1.483 -0.924 -3.742) 4.130 5.598 ( 0.389 -9.237 0.509) 9.260 5.686 ( 3.038 1.441 -0.986) 3.504 6.199 ( -0.591 -4.741 1.506) 5.010 6.278 ( -0.512 -0.149 -0.083) 0.539 6.735 ( 0.462 -0.123 1.104) 1.203 6.795 ( 0.155 -0.927 0.918) 1.314 6.903 ( -0.285 1.548 -0.987) 1.858 6.958 ( -1.216 1.216 -1.268) 2.137 6.988 ( -0.993 -0.019 -1.048) 1.444 7.073 ( -2.826 -2.623 -1.912) 4.304 7.185 ( 5.193 -3.174 0.878) 6.149 7.198 ( -0.749 2.477 1.100) 2.811 7.491 ( -0.907 0.683 -1.431) 1.827 7.503 ( 1.050 2.415 -4.564) 5.269 7.599 ( 2.568 3.771 3.192) 5.568 7.641 ( 2.278 0.577 0.825) 2.491 7.704 ( -1.966 -2.397 2.132) 3.763 7.767 ( -9.820 0.100 -1.891) 10.001 7.887 ( 1.548 -1.969 2.505) 3.542 7.978 ( 6.739 -0.197 3.487) 7.590 8.185 ( 0.965 -0.085 3.983) 4.099 8.312 ( 0.486 2.416 0.449) 2.505 8.389 ( 3.102 0.257 -5.403) 6.235 8.492 ( -1.938 -7.667 5.630) 9.708 8.632 ( 1.782 0.089 -10.731) 10.879 8.773 ( -4.665 -5.093 3.665) 7.819 8.872 ( -0.157 -2.779 2.593) 3.804 8.992 ( -2.586 1.998 -4.057) 5.210 9.036 ( -6.307 -5.471 -1.748) 8.531 9.264 ( -2.824 0.050 3.894) 4.811 9.341 ( -3.409 -4.390 4.009) 6.853 9.411 ( 5.711 4.844 -1.674) 7.674 9.520 ( 3.351 -0.417 1.595) 3.735 9.617 ( 0.134 2.606 3.586) 4.435 9.749 ( 2.091 -2.283 1.394) 3.395 9.989 ( 4.603 3.461 -6.849) 8.949 10.187 ( -11.350 -2.988 -7.475) 13.915 10.622 ( 16.591 2.078 9.727) 19.344 10.961 ( 3.714 1.442 -1.497) 4.256 11.304 ( -1.066 1.698 -2.390) 3.119 ======================= Grid point 15 (11/125) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.380 ( 11.822 -5.037 0.840) 12.878 2.685 ( 21.392 -3.315 -9.254) 23.543 2.855 ( -1.486 -2.263 0.811) 2.826 3.167 ( -3.315 -5.399 7.481) 9.803 3.558 ( -2.240 -4.484 5.331) 7.317 3.723 ( -4.049 -2.272 -4.991) 6.816 3.770 ( 1.550 -4.359 2.100) 5.081 3.981 ( 2.352 -7.590 -5.577) 9.708 4.147 ( 7.548 3.417 2.674) 8.706 4.230 ( 0.417 -5.831 2.166) 6.234 4.289 ( 6.600 6.332 -2.513) 9.485 4.410 ( -6.235 -2.485 -1.999) 7.003 4.531 ( 2.065 -1.550 -1.321) 2.900 4.578 ( -2.517 -0.831 1.399) 2.997 4.734 ( -0.051 1.041 -2.099) 2.343 4.912 ( 1.605 5.774 0.459) 6.010 5.136 ( -0.364 -2.346 5.943) 6.399 5.249 ( -5.676 4.529 -2.474) 7.671 5.326 ( 0.544 0.302 -2.718) 2.789 5.557 ( -3.547 -3.841 0.658) 5.270 5.627 ( -4.589 7.933 3.099) 9.674 5.685 ( -2.189 2.651 -1.665) 3.820 6.182 ( 1.923 3.071 -0.025) 3.623 6.286 ( 0.381 0.651 0.534) 0.925 6.726 ( -0.163 -1.253 0.283) 1.295 6.790 ( -1.784 -3.471 0.150) 3.906 6.903 ( -0.159 -0.176 -0.763) 0.799 6.969 ( 1.384 2.589 0.385) 2.961 7.024 ( 1.443 4.650 1.235) 5.023 7.076 ( 1.982 0.003 -3.235) 3.794 7.114 ( -1.349 0.364 -0.464) 1.473 7.250 ( -1.913 0.666 3.103) 3.706 7.454 ( 1.595 -0.174 -5.848) 6.064 7.493 ( -3.465 -5.575 -2.955) 7.199 7.589 ( 3.467 0.391 4.821) 5.951 7.658 ( 3.372 5.298 1.425) 6.440 7.697 ( 3.654 -0.056 1.106) 3.818 7.832 ( -2.733 -5.052 -4.467) 7.276 7.893 ( 4.809 5.120 1.671) 7.220 7.909 ( -4.534 -1.028 4.331) 6.354 8.144 ( 3.671 -1.143 -0.435) 3.870 8.306 ( 1.705 -0.856 -3.036) 3.586 8.410 ( -0.799 6.675 2.659) 7.230 8.489 ( -2.182 -3.480 2.153) 4.638 8.604 ( 0.287 9.259 -8.807) 12.782 8.817 ( -2.640 -2.327 3.962) 5.300 8.856 ( 3.850 2.594 1.310) 4.823 9.014 ( 1.330 1.564 -3.095) 3.714 9.096 ( -6.435 0.510 3.341) 7.269 9.232 ( 6.954 1.394 2.182) 7.420 9.297 ( 9.056 -0.143 0.163) 9.058 9.435 ( -4.683 -0.001 0.437) 4.703 9.476 ( -3.675 -3.155 -2.556) 5.477 9.512 ( 12.518 -0.106 -5.544) 13.691 9.704 ( -0.475 1.111 -1.529) 1.949 10.135 ( -15.882 -1.395 5.588) 16.894 10.358 ( -11.540 -1.477 2.592) 11.919 10.521 ( 0.695 -0.062 5.328) 5.374 10.828 ( 7.031 -1.192 -11.511) 13.541 11.396 ( -5.512 2.199 3.910) 7.107 ======================= Grid point 16 (12/125) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( 22.042 -14.889 -0.274) 26.601 2.146 ( 31.183 -11.518 -6.269) 33.828 2.728 ( 13.590 -16.093 -1.002) 21.088 3.080 ( 3.310 -18.084 1.494) 18.445 3.366 ( 7.083 -11.998 8.220) 16.177 3.653 ( 4.523 -3.089 9.029) 10.560 3.719 ( 2.389 -8.501 -3.474) 9.489 3.805 ( 4.571 -1.877 -12.926) 13.839 4.136 ( 0.067 6.893 -0.319) 6.901 4.217 ( -0.784 5.894 -4.550) 7.487 4.357 ( -0.840 5.768 2.958) 6.537 4.448 ( 1.477 -1.416 2.592) 3.302 4.534 ( -7.878 -2.758 3.204) 8.941 4.623 ( -3.538 -0.921 4.995) 6.190 4.719 ( -0.601 0.719 -11.539) 11.577 5.000 ( -2.084 2.293 8.152) 8.720 5.087 ( 0.848 -3.811 -3.050) 4.955 5.351 ( -2.892 3.926 1.874) 5.224 5.404 ( -5.105 4.040 -2.344) 6.919 5.627 ( -6.051 1.556 0.361) 6.259 5.695 ( -3.144 -0.452 -0.499) 3.215 5.853 ( -6.101 8.027 1.024) 10.134 6.212 ( 3.901 10.771 -0.332) 11.461 6.272 ( 2.515 0.616 -0.156) 2.594 6.728 ( -2.009 -1.482 0.251) 2.509 6.772 ( -2.230 -4.438 -0.750) 5.023 6.917 ( 2.032 4.288 0.496) 4.771 6.986 ( -0.473 0.902 1.711) 1.991 7.019 ( 4.195 2.493 0.660) 4.925 7.037 ( 0.596 0.307 -2.751) 2.832 7.158 ( 1.456 4.616 0.237) 4.846 7.254 ( 0.332 -5.122 -0.010) 5.132 7.404 ( 3.332 -1.873 0.112) 3.824 7.433 ( 8.456 -3.671 -3.327) 9.801 7.546 ( -6.068 -2.524 -0.164) 6.574 7.625 ( -1.106 1.926 -0.606) 2.302 7.690 ( 3.085 3.366 2.170) 5.055 7.833 ( -3.027 -3.056 -2.544) 4.997 7.909 ( 1.812 3.828 9.543) 10.440 8.000 ( -1.816 6.300 -6.474) 9.214 8.047 ( 5.732 -3.353 -0.510) 6.660 8.302 ( -0.200 5.225 -2.881) 5.969 8.475 ( -1.143 0.798 0.479) 1.474 8.515 ( -1.123 2.894 0.503) 3.145 8.724 ( -2.652 11.469 -1.577) 11.876 8.789 ( 6.184 3.353 1.310) 7.155 8.856 ( 1.021 1.809 -0.805) 2.228 8.971 ( 3.704 0.577 -0.635) 3.802 9.097 ( 14.032 2.951 2.699) 14.591 9.168 ( 13.098 4.199 -1.763) 13.867 9.185 ( 2.278 2.142 2.448) 3.971 9.423 ( -9.278 2.121 -0.252) 9.520 9.483 ( -7.281 -4.152 -1.506) 8.516 9.569 ( -6.286 2.896 -1.409) 7.063 9.730 ( -3.729 -1.787 -1.395) 4.364 10.288 ( 0.114 -2.820 6.701) 7.271 10.523 ( -10.725 -1.491 11.288) 15.642 10.639 ( -3.075 -1.333 -11.318) 11.804 10.696 ( -13.248 -4.491 -5.468) 15.020 11.521 ( -5.399 1.793 2.703) 6.299 ======================= Grid point 17 (13/125) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( 27.130 -21.513 0.000) 34.625 1.473 ( 36.123 -13.693 0.000) 38.631 2.026 ( 34.083 -35.240 0.000) 49.026 2.752 ( 5.515 -27.328 0.000) 27.879 3.369 ( -5.057 4.450 -0.000) 6.736 3.505 ( 17.661 0.836 0.000) 17.681 3.652 ( -2.190 -1.636 -0.000) 2.733 3.681 ( -1.339 -5.727 0.000) 5.881 4.204 ( 7.303 4.162 0.000) 8.406 4.268 ( -2.165 10.521 -0.000) 10.742 4.428 ( -3.694 -1.621 -0.000) 4.034 4.458 ( -2.909 0.165 -0.000) 2.914 4.637 ( -4.898 -4.155 -0.000) 6.423 4.653 ( -0.056 1.234 -0.000) 1.235 4.739 ( -6.293 0.768 -0.000) 6.339 4.921 ( 4.922 -8.923 0.000) 10.190 5.149 ( -2.739 5.359 -0.000) 6.019 5.461 ( -5.271 2.673 -0.000) 5.910 5.507 ( -3.862 5.122 -0.000) 6.414 5.737 ( -5.613 -3.715 -0.000) 6.731 5.740 ( -7.473 -1.268 -0.000) 7.580 5.993 ( -2.891 3.745 -0.000) 4.731 6.235 ( 4.382 3.234 0.000) 5.446 6.282 ( 5.432 14.570 0.000) 15.550 6.758 ( -3.384 -0.877 -0.000) 3.496 6.767 ( -2.823 -3.058 -0.000) 4.162 6.874 ( 10.107 2.425 0.000) 10.394 6.988 ( 5.325 5.590 0.000) 7.720 7.026 ( -0.596 -0.505 -0.000) 0.781 7.031 ( -4.678 -1.053 -0.000) 4.795 7.137 ( 5.018 -6.004 0.000) 7.824 7.155 ( 4.749 3.533 0.000) 5.919 7.256 ( 0.923 -4.236 0.000) 4.335 7.377 ( 1.071 -1.709 0.000) 2.017 7.608 ( 0.877 -1.246 0.000) 1.524 7.699 ( -3.473 2.293 -0.000) 4.161 7.728 ( -3.790 5.543 -0.000) 6.715 7.833 ( -0.129 -3.281 0.000) 3.284 7.909 ( 4.214 -0.762 0.000) 4.282 7.924 ( -0.045 -1.728 0.000) 1.728 8.110 ( -2.523 9.942 -0.000) 10.257 8.301 ( 8.629 3.893 0.000) 9.466 8.506 ( -0.445 2.697 -0.000) 2.734 8.573 ( -3.080 3.784 -0.000) 4.879 8.787 ( 2.658 8.086 -0.000) 8.512 8.791 ( 6.608 0.046 0.000) 6.608 8.836 ( 2.674 0.429 0.000) 2.708 8.929 ( 11.220 2.522 0.000) 11.500 8.937 ( 4.432 -1.592 0.000) 4.709 9.056 ( 2.143 13.153 -0.000) 13.327 9.249 ( -1.731 7.249 -0.000) 7.453 9.534 ( -5.144 -3.339 -0.000) 6.133 9.632 ( -12.585 -3.086 -0.000) 12.958 9.696 ( -4.101 7.192 -0.000) 8.279 9.774 ( -8.384 -5.309 -0.000) 9.923 10.217 ( 6.841 -0.264 0.000) 6.847 10.492 ( 6.705 -0.188 0.000) 6.708 10.813 ( -17.096 -3.328 -0.000) 17.417 10.881 ( -16.323 -5.554 -0.000) 17.242 11.618 ( -4.201 1.057 -0.000) 4.332 ======================= Grid point 20 (14/125) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.682 ( 0.000 -0.000 32.757) 32.757 0.807 ( 0.000 -0.000 39.192) 39.192 1.322 ( 0.000 -0.000 63.412) 63.412 2.082 ( -0.000 0.000 -17.663) 17.663 2.712 ( -0.000 0.000 -33.393) 33.393 3.637 ( 0.000 -0.000 1.751) 1.751 3.670 ( 0.000 -0.000 5.517) 5.517 3.976 ( -0.000 0.000 -25.072) 25.072 4.079 ( 0.000 -0.000 19.302) 19.302 4.265 ( -0.000 0.000 -8.363) 8.363 4.370 ( 0.000 -0.000 1.298) 1.298 4.517 ( 0.000 -0.000 1.222) 1.222 4.636 ( 0.000 -0.000 0.055) 0.055 4.653 ( 0.000 -0.000 0.667) 0.667 4.698 ( 0.000 -0.000 3.203) 3.203 4.882 ( 0.000 -0.000 3.087) 3.087 5.143 ( -0.000 0.000 -5.934) 5.934 5.590 ( -0.000 0.000 -18.363) 18.363 5.618 ( 0.000 -0.000 5.966) 5.966 5.787 ( -0.000 0.000 -0.345) 0.345 5.907 ( 0.000 -0.000 10.635) 10.635 6.148 ( 0.000 -0.000 1.072) 1.072 6.200 ( -0.000 0.000 -1.749) 1.749 6.200 ( -0.000 0.000 -0.415) 0.415 6.676 ( 0.000 -0.000 1.380) 1.380 6.798 ( -0.000 0.000 -1.571) 1.571 6.834 ( 0.000 -0.000 1.636) 1.636 6.838 ( 0.000 -0.000 0.106) 0.106 6.992 ( 0.000 -0.000 2.145) 2.145 7.048 ( 0.000 -0.000 0.907) 0.907 7.081 ( 0.000 -0.000 0.152) 0.152 7.177 ( -0.000 0.000 -4.097) 4.097 7.216 ( 0.000 -0.000 0.764) 0.764 7.405 ( -0.000 0.000 -7.039) 7.039 7.518 ( 0.000 -0.000 16.975) 16.975 7.780 ( 0.000 -0.000 9.989) 9.989 7.830 ( 0.000 -0.000 1.390) 1.390 7.913 ( -0.000 0.000 -2.014) 2.014 8.028 ( 0.000 -0.000 8.868) 8.868 8.115 ( 0.000 -0.000 2.833) 2.833 8.128 ( 0.000 -0.000 1.818) 1.818 8.425 ( -0.000 0.000 -4.745) 4.745 8.431 ( -0.000 0.000 -7.095) 7.095 8.611 ( -0.000 0.000 -10.322) 10.322 8.641 ( -0.000 0.000 -3.536) 3.536 8.662 ( -0.000 0.000 -0.320) 0.320 8.781 ( 0.000 -0.000 4.843) 4.843 8.868 ( 0.000 -0.000 0.693) 0.693 8.960 ( 0.000 -0.000 0.910) 0.910 9.014 ( 0.000 -0.000 8.961) 8.961 9.369 ( -0.000 0.000 -15.913) 15.913 9.547 ( -0.000 0.000 -11.433) 11.433 9.734 ( 0.000 -0.000 2.040) 2.040 9.803 ( 0.000 -0.000 8.710) 8.710 9.810 ( -0.000 0.000 -0.657) 0.657 10.356 ( 0.000 -0.000 11.161) 11.161 10.439 ( 0.000 -0.000 7.498) 7.498 10.688 ( -0.000 0.000 -19.857) 19.857 11.392 ( 0.000 -0.000 13.702) 13.702 11.784 ( -0.000 0.000 -2.368) 2.368 ======================= Grid point 21 (15/125) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( -13.310 26.927 24.514) 38.770 1.246 ( -20.299 12.131 29.185) 37.563 1.897 ( -23.232 11.336 51.651) 57.758 2.131 ( -4.859 18.829 -19.255) 27.366 2.616 ( -7.741 2.285 -33.466) 34.426 3.610 ( 0.419 -5.317 -0.642) 5.372 3.682 ( -1.802 -1.011 3.071) 3.702 3.910 ( -3.395 7.609 -23.950) 25.358 4.167 ( -1.957 -2.985 8.445) 9.168 4.219 ( -0.951 -2.048 -5.440) 5.890 4.379 ( 4.014 4.140 -0.231) 5.771 4.530 ( 1.122 -2.220 10.025) 10.328 4.567 ( 2.952 -5.626 3.431) 7.221 4.642 ( 1.766 4.112 -0.686) 4.527 4.779 ( 1.412 5.746 -0.107) 5.918 4.901 ( -1.732 -0.453 5.905) 6.170 5.118 ( -2.383 -2.518 -5.431) 6.443 5.445 ( 3.097 -2.739 -18.706) 19.157 5.633 ( 4.099 0.102 3.288) 5.256 5.743 ( 1.696 -2.645 1.868) 3.655 5.934 ( 7.153 4.988 5.358) 10.235 6.016 ( 4.676 -1.991 -0.243) 5.088 6.237 ( -6.351 -4.041 1.763) 7.731 6.315 ( -8.293 -6.741 -1.291) 10.765 6.714 ( -2.777 0.595 0.574) 2.897 6.795 ( 0.278 -0.744 -1.128) 1.379 6.846 ( -1.228 -0.232 1.789) 2.182 6.891 ( -5.856 -0.215 -2.458) 6.355 7.018 ( 0.469 1.702 1.201) 2.136 7.050 ( -0.201 -4.493 1.203) 4.655 7.091 ( -0.951 -3.905 -0.208) 4.024 7.116 ( -5.738 -0.561 0.334) 5.775 7.318 ( -1.826 7.634 -0.629) 7.875 7.401 ( -3.795 1.035 -7.008) 8.037 7.604 ( 2.245 0.443 15.620) 15.787 7.750 ( 5.560 0.357 5.072) 7.534 7.816 ( 4.396 0.664 1.986) 4.869 7.874 ( 1.080 -4.371 0.689) 4.555 7.961 ( 5.907 -4.134 3.938) 8.215 8.059 ( 7.960 1.509 4.871) 9.453 8.233 ( -9.559 -0.949 3.071) 10.085 8.343 ( 1.455 -2.610 -2.117) 3.662 8.487 ( -9.947 -2.838 -6.549) 12.243 8.562 ( -1.344 -6.119 1.179) 6.375 8.651 ( -0.189 -0.055 -0.952) 0.972 8.728 ( -11.737 1.817 -5.736) 13.189 8.804 ( -3.095 -4.841 2.705) 6.351 8.893 ( -1.360 1.820 3.515) 4.186 9.010 ( -1.812 -6.334 1.241) 6.704 9.071 ( -3.450 0.588 -0.498) 3.535 9.288 ( -0.170 -1.451 -11.708) 11.799 9.390 ( 2.556 -7.229 -7.198) 10.517 9.661 ( 6.815 -2.764 -2.899) 7.905 9.777 ( 5.927 4.538 -1.095) 7.545 9.836 ( 4.432 2.745 10.488) 11.712 10.382 ( 1.379 -6.308 8.104) 10.362 10.521 ( 2.163 2.286 -8.265) 8.844 10.598 ( -2.643 5.916 -2.103) 6.813 11.369 ( 12.932 2.283 11.342) 17.352 11.647 ( 12.065 0.591 -2.724) 12.383 ======================= Grid point 22 (16/125) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( -17.348 16.579 21.074) 31.936 1.880 ( -19.655 24.089 16.998) 35.434 2.383 ( -8.883 24.118 -15.302) 29.912 2.614 ( -9.996 7.256 -13.443) 18.256 2.701 ( -25.428 15.507 19.376) 35.532 3.574 ( -6.620 -7.005 -2.498) 9.957 3.746 ( -4.597 1.488 2.942) 5.657 3.955 ( -4.033 7.860 -18.703) 20.684 4.139 ( -0.012 -3.928 0.398) 3.948 4.210 ( 0.864 -0.504 -1.669) 1.946 4.309 ( 4.405 -2.928 -3.587) 6.391 4.470 ( 3.960 -2.208 2.192) 5.036 4.573 ( 0.289 -1.240 13.384) 13.444 4.671 ( 1.247 5.651 -1.683) 6.027 4.751 ( 6.347 2.394 2.678) 7.293 4.962 ( 0.859 1.214 2.079) 2.556 5.109 ( -1.924 -1.664 -1.210) 2.817 5.292 ( -0.581 -3.061 -15.023) 15.343 5.537 ( 6.790 -2.732 2.032) 7.596 5.715 ( 2.775 -0.603 2.975) 4.113 5.858 ( 8.232 0.295 2.881) 8.726 5.924 ( 2.765 -5.818 -3.174) 7.181 6.280 ( -3.369 -4.418 1.954) 5.889 6.312 ( -4.737 -10.084 1.041) 11.190 6.736 ( 0.044 0.299 -0.422) 0.519 6.792 ( 1.513 2.861 0.389) 3.260 6.893 ( -5.256 -3.363 1.176) 6.350 6.946 ( -2.524 0.631 -2.203) 3.409 6.968 ( -0.587 -5.675 -1.062) 5.803 7.026 ( 0.449 -1.843 -1.598) 2.480 7.110 ( 0.160 4.278 3.133) 5.305 7.249 ( -11.535 -3.174 1.182) 12.022 7.383 ( -1.143 4.293 -3.028) 5.376 7.486 ( -5.195 1.689 -0.846) 5.527 7.589 ( 6.359 0.542 6.106) 8.832 7.659 ( 5.690 0.028 -1.470) 5.877 7.751 ( 5.574 -0.159 3.660) 6.670 7.771 ( 2.106 -8.618 0.102) 8.872 7.958 ( -1.139 3.257 5.092) 6.151 8.005 ( 5.562 2.658 4.995) 7.934 8.287 ( 1.157 -3.305 1.372) 3.761 8.381 ( -7.110 -1.441 0.404) 7.266 8.452 ( 0.664 -6.721 -4.077) 7.888 8.556 ( -1.124 -2.686 3.842) 4.820 8.715 ( -9.595 -5.756 -1.809) 11.335 8.788 ( -0.079 -0.847 0.030) 0.851 8.913 ( -6.607 -10.239 -3.362) 12.641 8.927 ( -3.462 -1.975 -1.979) 4.450 9.015 ( -13.727 -0.361 4.256) 14.376 9.055 ( -0.980 -10.928 4.304) 11.786 9.164 ( -0.502 -6.357 -0.264) 6.382 9.370 ( -1.896 4.023 -11.399) 12.236 9.546 ( 2.404 1.900 -3.071) 4.338 9.710 ( 7.829 4.226 -2.864) 9.346 9.829 ( 10.349 5.926 12.698) 17.420 10.270 ( 6.002 -7.730 0.503) 9.799 10.356 ( 8.487 -0.067 -12.869) 15.416 10.792 ( -6.099 5.596 8.028) 11.530 11.189 ( 20.459 3.916 9.076) 22.722 11.450 ( 12.054 2.375 -8.057) 14.692 ======================= Grid point 23 (17/125) ======================= q-point: ( 0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( -12.350 11.477 13.199) 21.411 2.474 ( -15.351 20.796 8.224) 27.125 2.700 ( -3.519 12.562 -17.939) 22.180 2.716 ( -12.812 16.704 -5.501) 21.758 3.324 ( -19.459 5.489 13.582) 24.357 3.641 ( -8.848 -2.577 4.559) 10.281 3.865 ( -4.577 2.302 -3.914) 6.448 4.002 ( 1.298 0.131 -4.314) 4.507 4.017 ( 0.925 -3.261 -5.272) 6.267 4.203 ( 1.863 1.790 0.308) 2.602 4.253 ( -5.062 0.178 2.142) 5.499 4.439 ( 0.339 2.590 -2.362) 3.521 4.594 ( 1.791 -1.582 3.728) 4.429 4.688 ( 5.001 1.767 0.243) 5.310 4.706 ( 3.605 6.707 -0.602) 7.638 4.902 ( 6.583 0.826 -0.555) 6.658 5.122 ( 0.083 -0.700 5.951) 5.992 5.272 ( -5.238 -1.702 -7.342) 9.178 5.412 ( 5.753 -2.048 -0.409) 6.121 5.640 ( 5.020 -6.199 1.655) 8.146 5.742 ( 6.528 -3.305 1.025) 7.389 5.761 ( 3.488 -8.998 -2.789) 10.045 6.267 ( -2.303 -8.454 1.722) 8.930 6.276 ( -1.504 -3.610 0.182) 3.915 6.742 ( -0.050 0.647 0.813) 1.041 6.805 ( 1.293 2.653 0.551) 3.002 6.898 ( -0.895 -3.771 0.362) 3.892 6.932 ( -0.194 -0.284 -1.282) 1.328 6.958 ( -1.712 -0.756 -1.838) 2.623 7.040 ( -4.021 -1.109 -2.167) 4.700 7.168 ( -0.132 3.200 2.693) 4.184 7.281 ( 0.091 -5.442 -2.170) 5.859 7.473 ( -1.343 1.863 0.251) 2.310 7.515 ( 5.434 1.697 -1.382) 5.858 7.552 ( -3.597 5.683 1.099) 6.814 7.649 ( -1.706 -2.221 -1.129) 3.019 7.685 ( -1.217 -2.513 3.013) 4.108 7.704 ( 2.040 0.511 1.760) 2.743 7.957 ( 3.077 -1.225 3.343) 4.706 8.035 ( 1.810 3.832 1.631) 4.541 8.252 ( 0.899 -2.336 5.839) 6.353 8.337 ( 3.883 -3.103 -0.717) 5.022 8.404 ( 0.878 -0.512 -5.055) 5.156 8.571 ( -1.481 -4.438 3.639) 5.928 8.653 ( -0.012 -9.567 -4.591) 10.612 8.795 ( -3.347 -9.305 -0.497) 9.901 8.891 ( -7.652 -0.556 -2.147) 7.967 8.940 ( 0.038 -6.572 1.353) 6.710 8.988 ( -7.717 -9.321 0.029) 12.101 9.208 ( -3.959 0.520 2.840) 4.900 9.257 ( -12.088 -0.407 1.091) 12.144 9.427 ( -8.401 2.788 0.806) 8.888 9.526 ( 8.312 1.629 2.124) 8.733 9.653 ( -2.120 1.424 -7.542) 7.963 9.795 ( 12.411 9.723 11.636) 19.595 10.058 ( 12.383 0.248 -8.944) 15.277 10.169 ( 2.233 -9.005 -5.052) 10.564 10.878 ( 10.681 3.035 3.512) 11.646 11.023 ( 9.631 4.758 10.701) 15.163 11.274 ( 6.151 2.775 -10.360) 12.364 ======================= Grid point 24 (18/125) ======================= q-point: ( 0.67 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.472 ( -0.650 5.453 3.898) 6.734 2.775 ( 1.268 10.468 -4.178) 11.343 2.796 ( -2.873 7.212 -3.353) 8.457 3.090 ( -14.276 7.645 6.031) 17.280 3.551 ( -15.757 -8.881 -3.688) 18.459 3.654 ( 9.432 -5.724 3.966) 11.724 3.822 ( 1.775 0.604 -0.241) 1.890 3.926 ( -3.695 7.207 -4.782) 9.406 4.209 ( 4.323 7.120 3.265) 8.947 4.233 ( -15.309 -6.849 0.619) 16.783 4.334 ( -0.590 -3.400 1.683) 3.839 4.484 ( -1.170 5.154 -0.434) 5.303 4.517 ( 10.245 -2.246 -0.032) 10.488 4.577 ( 1.799 -1.582 -1.193) 2.676 4.783 ( 2.488 8.473 1.894) 9.031 4.825 ( 2.944 5.158 -3.887) 7.098 5.129 ( 1.260 -2.516 6.675) 7.244 5.218 ( 1.920 -1.365 -5.742) 6.206 5.422 ( 0.759 -5.356 4.104) 6.790 5.470 ( -2.324 -0.749 -4.358) 4.995 5.605 ( -0.949 -10.108 0.546) 10.167 5.677 ( 4.746 2.840 -0.550) 5.558 6.212 ( -0.184 -5.271 0.763) 5.329 6.278 ( -0.741 0.167 0.022) 0.760 6.745 ( 0.694 -0.378 0.577) 0.978 6.807 ( -0.903 -2.298 1.076) 2.693 6.888 ( -0.753 -0.346 -1.381) 1.611 6.944 ( -0.430 2.146 -0.871) 2.356 6.989 ( -0.574 4.479 0.547) 4.549 7.054 ( -1.739 -2.818 -1.493) 3.632 7.179 ( 3.222 -3.561 -0.259) 4.809 7.222 ( -0.828 1.963 1.547) 2.633 7.444 ( 4.185 2.785 -3.636) 6.204 7.497 ( -1.021 -1.629 0.322) 1.949 7.606 ( -0.008 3.822 -0.266) 3.831 7.655 ( 3.738 1.924 0.397) 4.223 7.726 ( -5.983 -2.899 2.676) 7.167 7.764 ( -4.222 1.103 -0.493) 4.392 7.917 ( 3.610 0.864 2.674) 4.575 7.993 ( 3.808 -2.939 -0.145) 4.812 8.221 ( 4.723 -1.933 2.127) 5.529 8.334 ( -1.254 6.193 2.927) 6.964 8.349 ( 2.216 0.498 -1.532) 2.740 8.524 ( 2.104 -2.529 -6.214) 7.031 8.537 ( -1.876 -8.366 0.336) 8.580 8.794 ( -4.136 -3.144 0.753) 5.249 8.902 ( 0.453 -2.001 2.650) 3.352 8.961 ( -3.159 0.924 -2.133) 3.922 9.016 ( -8.059 -6.864 -1.443) 10.683 9.301 ( -4.874 1.723 2.527) 5.754 9.374 ( -4.297 -6.939 1.911) 8.382 9.394 ( 9.029 4.823 -1.424) 10.335 9.533 ( 1.515 -1.301 0.729) 2.125 9.647 ( 6.949 1.863 2.100) 7.495 9.750 ( 7.992 0.475 -0.769) 8.043 9.937 ( -5.341 4.385 -2.795) 7.454 10.136 ( -12.262 -4.307 -2.436) 13.223 10.716 ( 13.631 1.680 7.286) 15.547 10.915 ( 11.284 1.465 -5.322) 12.562 11.295 ( -5.049 3.359 0.006) 6.064 ======================= Grid point 25 (19/125) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.388 ( 13.117 -4.831 0.000) 13.978 2.632 ( 21.855 -2.237 0.000) 21.969 2.860 ( -2.787 -3.207 -0.000) 4.249 3.204 ( 0.060 -4.170 0.000) 4.171 3.627 ( -7.130 -12.308 -0.000) 14.224 3.651 ( -6.150 4.450 -0.000) 7.591 3.793 ( 3.872 -4.243 0.000) 5.744 3.947 ( 2.152 -8.812 0.000) 9.071 4.178 ( 7.945 1.618 0.000) 8.108 4.211 ( 11.288 -1.076 0.000) 11.339 4.287 ( -2.187 2.418 -0.000) 3.260 4.400 ( -8.279 -3.770 -0.000) 9.097 4.527 ( 3.226 -2.332 0.000) 3.980 4.586 ( -4.337 2.796 -0.000) 5.161 4.721 ( 4.406 -1.054 0.000) 4.530 4.914 ( 0.907 9.181 -0.000) 9.226 5.177 ( 0.227 -5.252 0.000) 5.257 5.228 ( -7.554 7.753 -0.000) 10.824 5.310 ( 0.642 -1.174 0.000) 1.338 5.560 ( -3.427 -4.065 -0.000) 5.317 5.655 ( -8.763 7.390 -0.000) 11.463 5.665 ( 1.217 3.212 0.000) 3.435 6.182 ( 2.051 2.643 0.000) 3.345 6.289 ( 0.495 0.783 0.000) 0.926 6.729 ( -0.094 -1.393 0.000) 1.396 6.791 ( -2.150 -5.199 -0.000) 5.626 6.897 ( -0.226 1.337 -0.000) 1.356 6.972 ( 1.569 4.533 0.000) 4.797 7.034 ( 0.196 -0.756 0.000) 0.781 7.053 ( 2.373 4.719 0.000) 5.282 7.114 ( -0.355 -0.395 -0.000) 0.531 7.271 ( -1.743 0.709 -0.000) 1.882 7.416 ( 1.425 1.361 0.000) 1.971 7.478 ( -3.513 -6.621 -0.000) 7.495 7.620 ( 2.349 0.787 0.000) 2.477 7.666 ( 3.553 7.453 0.000) 8.257 7.708 ( 9.281 -0.925 0.000) 9.327 7.794 ( -6.789 -5.758 -0.000) 8.902 7.903 ( 4.042 6.154 0.000) 7.363 7.940 ( -3.381 -3.012 -0.000) 4.528 8.142 ( 4.151 -1.295 0.000) 4.348 8.283 ( 3.017 -0.169 0.000) 3.022 8.464 ( -0.348 2.246 -0.000) 2.272 8.468 ( 0.474 2.450 -0.000) 2.495 8.553 ( -3.989 6.503 -0.000) 7.629 8.832 ( -2.783 -0.769 -0.000) 2.888 8.872 ( 5.241 1.866 0.000) 5.564 8.993 ( -0.569 -0.200 -0.000) 0.603 9.111 ( -8.835 2.313 -0.000) 9.133 9.252 ( 7.831 0.740 0.000) 7.866 9.302 ( 10.037 -1.846 0.000) 10.205 9.428 ( -4.594 2.784 -0.000) 5.372 9.472 ( -0.046 -4.288 0.000) 4.288 9.475 ( 11.751 0.586 0.000) 11.766 9.696 ( -0.798 0.191 -0.000) 0.820 10.166 ( -17.338 -1.008 -0.000) 17.367 10.359 ( -19.710 -2.468 -0.000) 19.864 10.584 ( 7.899 0.094 0.000) 7.899 10.742 ( 8.408 -0.496 0.000) 8.423 11.417 ( -5.905 2.687 -0.000) 6.488 ======================= Grid point 30 (20/125) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( 0.000 -0.000 31.333) 31.333 1.201 ( 0.000 -0.000 38.105) 38.105 1.875 ( -0.000 0.000 -22.515) 22.515 1.955 ( 0.000 -0.000 60.699) 60.699 2.359 ( -0.000 0.000 -35.693) 35.693 3.607 ( -0.000 0.000 -44.211) 44.211 3.661 ( 0.000 -0.000 2.833) 2.833 3.714 ( 0.000 -0.000 2.536) 2.536 4.204 ( -0.000 0.000 -3.198) 3.198 4.214 ( 0.000 -0.000 5.780) 5.780 4.420 ( 0.000 -0.000 9.648) 9.648 4.603 ( 0.000 -0.000 8.620) 8.620 4.636 ( 0.000 -0.000 0.048) 0.048 4.685 ( 0.000 -0.000 9.796) 9.796 4.698 ( -0.000 0.000 -3.004) 3.004 4.924 ( 0.000 -0.000 4.795) 4.795 5.082 ( -0.000 0.000 -5.827) 5.827 5.375 ( -0.000 0.000 -23.310) 23.310 5.678 ( 0.000 -0.000 5.596) 5.596 5.780 ( -0.000 0.000 -1.146) 1.146 6.006 ( 0.000 -0.000 8.542) 8.542 6.160 ( 0.000 -0.000 1.282) 1.282 6.175 ( -0.000 0.000 -3.088) 3.088 6.194 ( -0.000 0.000 -0.731) 0.731 6.695 ( 0.000 -0.000 2.405) 2.405 6.779 ( -0.000 0.000 -2.156) 2.156 6.841 ( 0.000 -0.000 0.331) 0.331 6.846 ( 0.000 -0.000 0.643) 0.643 7.018 ( 0.000 -0.000 2.865) 2.865 7.058 ( 0.000 -0.000 0.986) 0.986 7.081 ( -0.000 0.000 -0.203) 0.203 7.133 ( -0.000 0.000 -4.398) 4.398 7.227 ( 0.000 -0.000 1.430) 1.430 7.337 ( -0.000 0.000 -6.187) 6.187 7.707 ( 0.000 -0.000 19.112) 19.112 7.850 ( 0.000 -0.000 2.732) 2.732 7.889 ( 0.000 -0.000 11.451) 11.451 7.896 ( -0.000 0.000 -1.463) 1.463 8.117 ( -0.000 0.000 -2.826) 2.826 8.130 ( 0.000 -0.000 10.952) 10.952 8.145 ( 0.000 -0.000 0.785) 0.785 8.344 ( -0.000 0.000 -8.821) 8.821 8.372 ( -0.000 0.000 -5.566) 5.566 8.497 ( -0.000 0.000 -11.935) 11.935 8.623 ( -0.000 0.000 -0.284) 0.284 8.654 ( -0.000 0.000 -1.129) 1.129 8.846 ( 0.000 -0.000 7.789) 7.789 8.879 ( 0.000 -0.000 1.518) 1.518 8.955 ( -0.000 0.000 -1.795) 1.795 9.106 ( 0.000 -0.000 8.768) 8.768 9.209 ( -0.000 0.000 -14.737) 14.737 9.428 ( -0.000 0.000 -11.639) 11.639 9.755 ( 0.000 -0.000 1.989) 1.989 9.802 ( -0.000 0.000 -1.011) 1.011 9.920 ( 0.000 -0.000 14.087) 14.087 10.457 ( 0.000 -0.000 8.366) 8.366 10.483 ( -0.000 0.000 -20.268) 20.268 10.505 ( 0.000 -0.000 5.067) 5.067 11.519 ( 0.000 -0.000 11.308) 11.308 11.751 ( -0.000 0.000 -4.129) 4.129 ======================= Grid point 31 (21/125) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( -9.928 25.750 24.720) 37.050 1.562 ( -14.991 7.398 31.859) 35.978 1.917 ( -6.025 19.218 -21.656) 29.573 2.270 ( -9.606 3.291 -33.537) 35.040 2.435 ( -16.420 7.531 52.124) 55.166 3.422 ( -6.816 -0.612 -39.000) 39.596 3.695 ( -2.981 -0.657 2.052) 3.678 3.754 ( -1.531 4.404 -3.405) 5.774 4.179 ( 1.322 -1.245 -0.217) 1.829 4.226 ( 0.825 0.645 -0.386) 1.116 4.410 ( 4.635 -3.675 5.623) 8.161 4.567 ( 1.066 -4.762 1.161) 5.017 4.638 ( 3.378 5.033 -0.128) 6.063 4.694 ( 0.755 -2.016 11.236) 11.441 4.792 ( 1.937 5.876 7.417) 9.659 4.956 ( -1.646 -0.313 4.575) 4.872 5.066 ( -3.178 -1.914 -4.592) 5.903 5.230 ( 1.196 -1.660 -22.546) 22.639 5.670 ( 3.888 -2.787 3.202) 5.756 5.753 ( 0.681 -0.743 0.214) 1.030 5.978 ( 7.238 2.014 3.151) 8.147 6.013 ( 6.872 -1.168 -0.419) 6.983 6.258 ( -7.450 -3.621 2.170) 8.563 6.300 ( -8.015 -4.626 -1.676) 9.405 6.724 ( -1.509 -0.244 1.406) 2.077 6.779 ( -0.787 0.214 -1.754) 1.934 6.860 ( -1.891 -0.176 1.009) 2.151 6.874 ( -4.053 -0.048 -0.974) 4.169 7.028 ( 0.979 -2.496 0.599) 2.747 7.062 ( -1.100 -4.512 1.036) 4.758 7.092 ( -1.242 -0.377 0.461) 1.377 7.119 ( -6.493 -0.529 0.157) 6.516 7.299 ( -0.935 5.283 -2.914) 6.105 7.347 ( -4.610 4.175 -2.959) 6.888 7.751 ( 5.710 -3.182 10.492) 12.362 7.783 ( 7.727 -1.572 3.129) 8.484 7.841 ( 4.764 0.717 1.966) 5.204 7.889 ( 2.891 -3.147 1.532) 4.540 8.010 ( 6.234 -3.089 5.754) 9.029 8.102 ( 5.688 2.207 3.649) 7.109 8.244 ( -8.263 0.512 -1.145) 8.358 8.297 ( -0.827 -0.307 -6.364) 6.425 8.437 ( -13.453 -7.909 -2.457) 15.798 8.580 ( -2.412 -1.845 1.757) 3.508 8.637 ( -0.898 -0.383 -2.029) 2.252 8.672 ( -12.166 4.384 -4.073) 13.557 8.839 ( -0.798 -5.805 3.913) 7.046 8.944 ( -2.279 2.648 6.558) 7.430 8.965 ( -2.792 -4.969 -5.908) 8.209 9.133 ( -2.079 -5.342 8.016) 9.855 9.159 ( -2.192 2.778 -12.024) 12.534 9.313 ( 0.389 -9.052 -8.378) 12.340 9.646 ( 9.258 -4.044 -0.511) 10.116 9.766 ( 5.158 3.273 -0.773) 6.157 9.973 ( 6.022 4.035 15.870) 17.447 10.341 ( 7.766 4.398 -18.353) 20.408 10.459 ( 0.306 -8.524 4.070) 9.451 10.642 ( -8.097 6.676 4.298) 11.340 11.473 ( 13.825 1.821 8.948) 16.569 11.610 ( 13.666 1.064 -4.485) 14.422 ======================= Grid point 32 (22/125) ======================= q-point: ( 0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( -12.036 19.523 19.706) 30.238 2.060 ( -15.757 17.512 17.769) 29.508 2.210 ( -11.016 27.090 -17.022) 33.837 2.359 ( -11.890 9.978 -22.925) 27.685 3.060 ( -21.620 6.958 37.220) 43.602 3.419 ( -15.424 0.394 -28.380) 32.303 3.767 ( -4.780 0.975 3.016) 5.736 3.820 ( -4.679 4.113 -6.908) 9.302 4.141 ( 3.079 -1.162 1.728) 3.718 4.189 ( 4.786 3.102 -3.801) 6.854 4.312 ( 1.327 -6.973 1.988) 7.372 4.487 ( 3.801 -4.419 1.023) 5.918 4.639 ( 4.695 6.630 1.069) 8.194 4.681 ( 2.855 -1.209 1.174) 3.315 4.820 ( 5.460 0.873 9.069) 10.621 4.964 ( 3.795 1.634 -1.107) 4.278 5.104 ( -4.312 -0.224 -0.570) 4.355 5.149 ( -5.927 -1.436 -10.052) 11.757 5.553 ( 6.840 -3.769 0.911) 7.863 5.739 ( 2.370 -0.274 1.385) 2.758 5.880 ( 7.684 -1.209 1.407) 7.904 5.898 ( 3.801 -6.000 -1.873) 7.346 6.294 ( -2.492 -5.269 0.719) 5.873 6.320 ( -5.188 -8.149 0.458) 9.671 6.733 ( -0.484 -0.046 -0.167) 0.514 6.794 ( 1.348 3.205 0.075) 3.477 6.908 ( -4.104 -2.070 1.600) 4.867 6.925 ( -3.357 -0.448 -1.805) 3.837 6.960 ( 0.501 -5.098 -0.413) 5.139 7.015 ( 0.941 -3.050 -0.603) 3.248 7.141 ( -0.873 3.253 2.334) 4.098 7.251 ( -10.608 -4.228 -0.619) 11.436 7.345 ( -2.766 6.013 -2.330) 7.017 7.482 ( -4.423 2.034 -0.385) 4.883 7.637 ( 6.702 -0.056 2.506) 7.155 7.649 ( 7.023 0.472 -0.373) 7.049 7.766 ( 2.623 -8.272 0.016) 8.678 7.788 ( 3.790 -2.652 1.869) 4.989 8.011 ( 1.801 4.757 4.095) 6.529 8.044 ( 6.557 2.703 2.024) 7.375 8.282 ( -2.490 -3.287 -1.152) 4.282 8.361 ( -4.286 -0.080 -2.562) 4.994 8.442 ( -0.086 -6.524 0.691) 6.561 8.594 ( -0.701 -0.992 2.807) 3.058 8.693 ( -12.199 -9.521 -1.945) 15.597 8.791 ( 1.056 -1.322 0.463) 1.754 8.868 ( -2.132 -11.579 -3.045) 12.161 8.921 ( -9.417 2.783 -0.252) 9.823 9.064 ( -9.367 -6.212 4.884) 12.255 9.091 ( -2.566 -11.832 0.941) 12.143 9.167 ( -3.527 -0.631 1.414) 3.852 9.269 ( -5.531 3.262 -7.429) 9.820 9.516 ( 3.039 2.571 -2.016) 4.462 9.690 ( 8.579 2.403 -0.901) 8.955 9.980 ( 11.973 7.096 16.287) 21.424 10.153 ( 12.860 6.639 -16.788) 22.165 10.331 ( 1.136 -14.802 1.346) 14.906 10.849 ( -6.096 5.816 2.933) 8.921 11.278 ( 18.811 3.526 8.165) 20.808 11.368 ( 16.407 3.313 -7.932) 18.522 ======================= Grid point 33 (23/125) ======================= q-point: ( 0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.324 ( -9.329 8.500 -0.000) 12.621 2.526 ( -9.912 20.141 -0.000) 22.448 2.572 ( -6.766 16.657 -0.000) 17.978 2.684 ( -17.115 20.335 -0.000) 26.579 3.415 ( -16.646 -10.868 -0.000) 19.880 3.661 ( -12.614 10.335 -0.000) 16.308 3.835 ( 0.858 1.929 0.000) 2.111 3.969 ( -3.947 -6.889 -0.000) 7.940 3.990 ( -1.963 -0.092 -0.000) 1.965 4.208 ( 4.159 10.493 0.000) 11.287 4.270 ( -4.713 -2.916 -0.000) 5.542 4.424 ( -0.099 0.078 -0.000) 0.126 4.618 ( 1.882 -2.606 0.000) 3.214 4.663 ( 3.870 8.199 0.000) 9.066 4.723 ( 9.134 0.677 0.000) 9.159 4.901 ( 6.128 1.363 0.000) 6.278 5.188 ( -1.016 1.830 -0.000) 2.093 5.199 ( -6.749 -2.021 -0.000) 7.045 5.409 ( 5.902 -2.923 0.000) 6.586 5.650 ( 5.791 -7.413 0.000) 9.407 5.740 ( 1.904 -12.380 0.000) 12.526 5.752 ( 7.325 0.089 0.000) 7.326 6.274 ( -1.120 -2.521 -0.000) 2.758 6.280 ( -2.435 -9.532 0.000) 9.839 6.747 ( -0.362 0.795 -0.000) 0.874 6.808 ( 0.974 2.542 0.000) 2.722 6.903 ( -0.118 -4.050 0.000) 4.052 6.923 ( -1.459 -2.333 -0.000) 2.751 6.948 ( -0.565 1.734 -0.000) 1.824 7.028 ( -3.483 -0.414 -0.000) 3.507 7.190 ( -0.648 2.313 -0.000) 2.402 7.260 ( 0.222 -4.860 0.000) 4.865 7.481 ( -0.411 1.029 -0.000) 1.108 7.493 ( 2.663 3.714 0.000) 4.570 7.572 ( -2.323 5.192 -0.000) 5.688 7.630 ( 0.154 -6.396 0.000) 6.398 7.706 ( -4.062 -0.235 -0.000) 4.069 7.717 ( 3.640 0.286 0.000) 3.651 7.978 ( 4.668 0.663 0.000) 4.715 8.043 ( 2.187 2.644 0.000) 3.432 8.282 ( -2.055 -1.397 -0.000) 2.485 8.346 ( 5.439 -3.680 0.000) 6.567 8.365 ( 1.111 0.021 0.000) 1.111 8.585 ( 1.858 -2.402 0.000) 3.037 8.632 ( -2.349 -13.365 0.000) 13.570 8.790 ( -3.853 -8.424 -0.000) 9.263 8.882 ( -7.289 0.102 -0.000) 7.289 8.946 ( -0.136 -3.968 0.000) 3.970 8.989 ( -7.491 -13.250 -0.000) 15.221 9.225 ( -2.944 0.593 -0.000) 3.003 9.260 ( -11.607 0.358 -0.000) 11.613 9.433 ( -11.044 2.939 -0.000) 11.428 9.552 ( 10.157 -0.276 0.000) 10.161 9.592 ( -6.365 4.512 -0.000) 7.802 9.908 ( 16.560 7.765 0.000) 18.290 9.953 ( 13.202 6.546 0.000) 14.736 10.153 ( -0.659 -14.965 0.000) 14.979 10.897 ( 9.157 3.119 0.000) 9.674 11.101 ( 17.203 3.596 0.000) 17.575 11.197 ( 0.918 4.475 -0.000) 4.568 ======================= Grid point 41 (24/125) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( 0.000 -0.000 28.861) 28.861 1.536 ( 0.000 -0.000 8.367) 8.367 1.676 ( 0.000 -0.000 2.779) 2.779 1.990 ( -0.000 0.000 -36.437) 36.437 2.555 ( 0.000 -0.000 57.056) 57.056 3.112 ( -0.000 0.000 -52.155) 52.155 3.692 ( 0.000 -0.000 3.124) 3.124 3.718 ( -0.000 0.000 -1.493) 1.493 4.199 ( 0.000 -0.000 1.606) 1.606 4.222 ( -0.000 0.000 -2.041) 2.041 4.539 ( 0.000 -0.000 11.806) 11.806 4.634 ( 0.000 -0.000 0.631) 0.631 4.636 ( -0.000 0.000 -0.056) 0.056 4.641 ( -0.000 0.000 -7.947) 7.947 4.875 ( 0.000 -0.000 23.345) 23.345 4.974 ( 0.000 -0.000 4.935) 4.935 5.026 ( -0.000 0.000 -5.222) 5.222 5.126 ( -0.000 0.000 -25.128) 25.128 5.728 ( 0.000 -0.000 4.194) 4.194 5.762 ( -0.000 0.000 -2.512) 2.512 6.081 ( 0.000 -0.000 6.334) 6.334 6.136 ( -0.000 0.000 -4.563) 4.563 6.173 ( 0.000 -0.000 1.247) 1.247 6.185 ( -0.000 0.000 -1.036) 1.036 6.723 ( 0.000 -0.000 2.999) 2.999 6.753 ( -0.000 0.000 -2.784) 2.784 6.845 ( 0.000 -0.000 0.434) 0.434 6.848 ( -0.000 0.000 -0.154) 0.154 7.051 ( 0.000 -0.000 3.523) 3.523 7.068 ( 0.000 -0.000 0.956) 0.956 7.076 ( -0.000 0.000 -0.686) 0.686 7.089 ( -0.000 0.000 -4.087) 4.087 7.247 ( 0.000 -0.000 2.589) 2.589 7.282 ( -0.000 0.000 -4.400) 4.400 7.851 ( 0.000 -0.000 5.194) 5.194 7.880 ( -0.000 0.000 -1.832) 1.832 7.919 ( 0.000 -0.000 13.915) 13.915 8.009 ( 0.000 -0.000 11.844) 11.844 8.052 ( -0.000 0.000 -10.159) 10.159 8.116 ( -0.000 0.000 -7.674) 7.674 8.248 ( 0.000 -0.000 11.991) 11.991 8.289 ( -0.000 0.000 -0.479) 0.479 8.317 ( -0.000 0.000 -4.782) 4.782 8.372 ( -0.000 0.000 -12.402) 12.402 8.628 ( 0.000 -0.000 0.996) 0.996 8.641 ( -0.000 0.000 -1.337) 1.337 8.899 ( 0.000 -0.000 2.554) 2.554 8.929 ( -0.000 0.000 -3.015) 3.015 8.939 ( 0.000 -0.000 10.486) 10.486 9.059 ( -0.000 0.000 -12.891) 12.891 9.209 ( 0.000 -0.000 9.698) 9.698 9.313 ( -0.000 0.000 -10.791) 10.791 9.774 ( 0.000 -0.000 1.725) 1.725 9.790 ( -0.000 0.000 -1.377) 1.377 10.085 ( 0.000 -0.000 17.906) 17.906 10.278 ( -0.000 0.000 -19.802) 19.802 10.521 ( 0.000 -0.000 3.941) 3.941 10.536 ( 0.000 -0.000 0.861) 0.861 11.622 ( 0.000 -0.000 8.777) 8.777 11.698 ( -0.000 0.000 -6.314) 6.314 ======================= Grid point 42 (25/125) ======================= q-point: ( 0.56 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( -7.096 21.857 -0.000) 22.980 1.670 ( -8.642 23.672 -0.000) 25.201 1.892 ( -9.730 1.447 -0.000) 9.837 1.959 ( -13.021 7.261 -0.000) 14.909 2.956 ( -11.841 4.622 -0.000) 12.711 2.959 ( -11.732 4.052 -0.000) 12.412 3.725 ( -2.039 0.559 -0.000) 2.114 3.726 ( -2.323 0.404 -0.000) 2.357 4.196 ( 1.778 -0.013 0.000) 1.778 4.202 ( 2.134 1.283 0.000) 2.490 4.447 ( 4.633 -8.108 0.000) 9.338 4.574 ( -0.144 -4.589 0.000) 4.591 4.638 ( 4.483 6.490 0.000) 7.888 4.722 ( 1.374 4.073 -0.000) 4.298 4.944 ( 4.659 -1.053 0.000) 4.777 4.970 ( 1.643 2.110 0.000) 2.675 5.033 ( -5.089 -2.871 -0.000) 5.843 5.046 ( -4.330 -0.922 -0.000) 4.428 5.688 ( 4.182 -4.240 0.000) 5.955 5.753 ( 0.019 0.554 -0.000) 0.554 5.996 ( 6.241 -1.067 0.000) 6.331 6.009 ( 8.685 1.166 0.000) 8.763 6.277 ( -9.035 -4.196 -0.000) 9.962 6.283 ( -6.749 -3.136 -0.000) 7.442 6.735 ( -0.557 -1.444 -0.000) 1.548 6.767 ( -1.514 1.614 -0.000) 2.214 6.866 ( -2.616 -0.016 -0.000) 2.616 6.869 ( -3.090 -0.368 -0.000) 3.112 7.031 ( 1.090 -4.650 0.000) 4.776 7.068 ( -1.315 -4.608 0.000) 4.792 7.096 ( -1.345 2.165 -0.000) 2.548 7.119 ( -7.095 -0.924 -0.000) 7.155 7.279 ( 0.396 3.597 -0.000) 3.619 7.335 ( -5.425 5.914 -0.000) 8.026 7.779 ( 7.192 -5.053 0.000) 8.790 7.829 ( 12.771 -0.233 0.000) 12.773 7.854 ( 0.161 -3.058 0.000) 3.062 7.893 ( 5.556 -1.784 0.000) 5.835 8.053 ( 6.761 -1.177 0.000) 6.863 8.125 ( 4.369 2.089 0.000) 4.843 8.239 ( -1.569 1.396 -0.000) 2.100 8.241 ( -9.519 0.901 -0.000) 9.561 8.430 ( -14.209 -10.599 -0.000) 17.727 8.592 ( -7.443 1.101 -0.000) 7.524 8.619 ( -0.497 -0.889 -0.000) 1.019 8.654 ( -8.996 4.549 -0.000) 10.081 8.870 ( 0.625 -5.868 0.000) 5.901 8.923 ( -3.181 -6.340 -0.000) 7.093 9.009 ( -1.159 3.468 -0.000) 3.656 9.064 ( -4.662 3.568 -0.000) 5.871 9.217 ( -0.543 -8.788 0.000) 8.805 9.228 ( -1.218 -5.957 0.000) 6.080 9.644 ( 9.937 -5.007 0.000) 11.128 9.762 ( 4.975 2.997 0.000) 5.807 10.149 ( 7.170 4.456 0.000) 8.442 10.151 ( 6.489 4.417 0.000) 7.849 10.482 ( 0.703 -8.668 0.000) 8.697 10.664 ( -8.399 6.934 -0.000) 10.892 11.544 ( 14.474 0.744 0.000) 14.493 11.561 ( 13.800 2.157 0.000) 13.967 ======================= Grid point 86 (26/125) ======================= q-point: ( 0.11 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( 0.000 30.860 -0.000) 30.860 0.701 ( 0.000 32.098 -0.000) 32.098 1.454 ( 0.000 63.361 -0.000) 63.361 2.665 ( 0.000 30.524 -0.000) 30.524 3.177 ( -0.000 -1.910 0.000) 1.910 3.522 ( -0.000 -5.188 0.000) 5.188 3.617 ( -0.000 -3.651 0.000) 3.651 3.705 ( 0.000 1.194 -0.000) 1.194 4.057 ( -0.000 -3.206 0.000) 3.206 4.275 ( -0.000 -10.683 0.000) 10.683 4.511 ( -0.000 -6.000 0.000) 6.000 4.552 ( 0.000 7.375 -0.000) 7.375 4.666 ( 0.000 2.651 -0.000) 2.651 4.736 ( 0.000 3.365 -0.000) 3.365 4.803 ( 0.000 7.778 -0.000) 7.778 4.866 ( 0.000 1.886 -0.000) 1.886 5.146 ( -0.000 -6.908 0.000) 6.908 5.583 ( -0.000 -6.401 0.000) 6.401 5.646 ( -0.000 -9.021 0.000) 9.021 5.920 ( 0.000 5.435 -0.000) 5.435 5.971 ( -0.000 -3.477 0.000) 3.477 6.003 ( 0.000 10.996 -0.000) 10.996 6.026 ( -0.000 -10.420 0.000) 10.420 6.070 ( -0.000 -12.739 0.000) 12.739 6.671 ( 0.000 0.889 -0.000) 0.889 6.744 ( -0.000 -3.826 0.000) 3.826 6.827 ( -0.000 -0.391 0.000) 0.391 6.873 ( 0.000 3.325 -0.000) 3.325 7.026 ( -0.000 -2.265 0.000) 2.265 7.044 ( -0.000 -0.380 0.000) 0.380 7.077 ( 0.000 6.336 -0.000) 6.336 7.248 ( 0.000 1.950 -0.000) 1.950 7.325 ( 0.000 7.611 -0.000) 7.611 7.374 ( 0.000 4.004 -0.000) 4.004 7.549 ( 0.000 3.683 -0.000) 3.683 7.649 ( 0.000 0.767 -0.000) 0.767 7.802 ( -0.000 -1.553 0.000) 1.553 7.848 ( -0.000 -8.034 0.000) 8.034 7.872 ( -0.000 -4.189 0.000) 4.189 8.009 ( -0.000 -2.868 0.000) 2.868 8.093 ( -0.000 -1.599 0.000) 1.599 8.251 ( 0.000 4.812 -0.000) 4.812 8.403 ( -0.000 -6.242 0.000) 6.242 8.590 ( 0.000 1.774 -0.000) 1.774 8.647 ( -0.000 -4.781 0.000) 4.781 8.672 ( -0.000 -0.232 0.000) 0.232 8.713 ( -0.000 -11.241 0.000) 11.241 8.774 ( 0.000 2.376 -0.000) 2.376 8.860 ( -0.000 -1.322 0.000) 1.322 9.256 ( -0.000 -14.122 0.000) 14.122 9.334 ( -0.000 -21.718 0.000) 21.718 9.610 ( 0.000 7.611 -0.000) 7.611 9.713 ( -0.000 -1.430 0.000) 1.430 9.893 ( -0.000 -0.927 0.000) 0.927 9.955 ( 0.000 2.622 -0.000) 2.622 10.047 ( 0.000 7.679 -0.000) 7.679 10.292 ( -0.000 -3.293 0.000) 3.293 11.116 ( 0.000 3.682 -0.000) 3.682 11.155 ( 0.000 6.001 -0.000) 6.001 11.626 ( -0.000 -7.912 0.000) 7.912 ======================= Grid point 87 (27/125) ======================= q-point: ( 0.22 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( -22.795 24.787 4.147) 33.929 1.274 ( -22.974 24.049 13.828) 36.019 2.200 ( -11.255 51.368 4.287) 52.761 2.992 ( -1.086 26.462 -7.279) 27.466 3.208 ( -11.672 -0.453 -13.227) 17.646 3.411 ( 4.828 -4.343 3.449) 7.353 3.635 ( -5.346 -0.718 -3.364) 6.357 3.767 ( -0.306 2.159 14.732) 14.893 4.052 ( -4.858 -6.136 3.248) 8.473 4.160 ( -0.549 -9.878 -0.897) 9.934 4.400 ( 2.990 -8.845 -1.491) 9.455 4.616 ( 4.163 9.130 -1.499) 10.146 4.658 ( 4.029 3.686 -6.093) 8.182 4.756 ( 1.235 1.002 7.356) 7.526 4.844 ( 6.011 2.418 0.523) 6.500 4.917 ( -4.784 9.116 -8.030) 13.056 5.078 ( -2.027 -8.372 -0.498) 8.629 5.486 ( 4.898 -6.719 -2.169) 8.593 5.514 ( 2.932 -5.758 3.901) 7.548 5.814 ( 5.759 -5.019 -4.677) 8.958 5.859 ( 5.644 -10.260 2.259) 11.926 5.909 ( -0.975 -10.668 -1.609) 10.832 6.056 ( -5.676 -3.926 1.625) 7.090 6.170 ( -4.400 5.348 1.129) 7.017 6.733 ( -5.760 0.419 -0.093) 5.776 6.748 ( -5.425 -5.388 -0.282) 7.651 6.804 ( 1.638 -0.406 -0.435) 1.743 6.896 ( 1.328 3.429 0.380) 3.697 7.011 ( -1.263 -3.327 0.260) 3.568 7.023 ( -0.340 -2.266 0.107) 2.294 7.167 ( -0.867 7.646 -0.264) 7.699 7.247 ( 2.777 6.474 -7.687) 10.426 7.335 ( 5.833 5.436 8.596) 11.724 7.425 ( 0.924 4.826 2.398) 5.468 7.610 ( -0.908 6.408 -1.452) 6.633 7.714 ( 1.679 -3.436 0.385) 3.844 7.746 ( -4.046 -4.333 -2.232) 6.335 7.762 ( 3.573 -1.654 1.464) 4.200 7.854 ( -2.677 -2.907 1.278) 4.154 7.955 ( 1.789 -1.872 2.438) 3.556 8.133 ( -7.276 -3.046 -0.200) 7.890 8.191 ( 8.209 1.300 4.338) 9.375 8.421 ( -5.069 -5.566 1.518) 7.680 8.561 ( 0.603 -4.667 -3.958) 6.149 8.626 ( -3.652 -7.237 -1.700) 8.283 8.706 ( -6.729 1.586 3.541) 7.768 8.733 ( -6.893 -1.047 0.195) 6.975 8.819 ( -2.750 -0.577 -1.864) 3.372 8.836 ( -0.441 -2.320 1.218) 2.658 9.005 ( 8.233 -15.530 -1.450) 17.636 9.113 ( -1.862 -12.395 -0.276) 12.537 9.635 ( 2.759 -0.106 -5.021) 5.730 9.706 ( 3.000 0.678 8.371) 8.918 9.795 ( 7.561 -1.437 -10.497) 13.016 9.970 ( 2.045 4.670 -8.888) 10.246 10.083 ( -0.304 -1.253 8.763) 8.858 10.385 ( -9.272 -0.622 8.362) 12.501 11.022 ( 9.882 4.242 -13.844) 17.530 11.190 ( 10.130 4.385 12.264) 16.500 11.558 ( -2.669 -10.390 0.663) 10.748 ======================= Grid point 88 (28/125) ======================= q-point: ( 0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( -22.415 19.107 5.049) 29.883 1.938 ( -24.153 17.365 14.589) 33.132 2.786 ( -4.988 21.245 -1.054) 21.848 3.185 ( -6.603 8.282 3.095) 11.036 3.352 ( -2.867 11.011 -13.358) 17.547 3.410 ( -12.961 3.390 -12.230) 18.140 3.749 ( -7.162 4.447 2.607) 8.824 3.864 ( -0.698 -1.421 12.093) 12.197 4.079 ( -1.567 -3.654 1.672) 4.313 4.126 ( -7.590 -7.776 9.975) 14.750 4.234 ( 1.757 -10.240 -3.872) 11.088 4.491 ( 10.571 1.816 -11.502) 15.727 4.680 ( 3.879 8.805 -0.156) 9.623 4.774 ( 8.070 4.539 1.768) 9.427 4.792 ( 0.708 -0.082 8.573) 8.602 4.960 ( 2.597 -6.013 -0.917) 6.613 5.073 ( -5.152 4.782 -6.609) 9.649 5.326 ( 3.089 -7.079 -3.576) 8.512 5.419 ( 3.597 -7.982 3.708) 9.508 5.642 ( 2.043 -10.414 -1.709) 10.749 5.681 ( 1.289 -13.467 1.655) 13.630 5.798 ( 1.673 -6.201 -3.978) 7.555 6.111 ( -1.960 2.326 1.294) 3.305 6.268 ( -1.131 4.301 0.564) 4.483 6.752 ( 0.996 -1.115 -0.956) 1.775 6.770 ( -4.894 -5.197 -1.028) 7.212 6.826 ( -4.264 -1.421 -0.470) 4.519 6.924 ( 0.424 3.982 0.466) 4.031 6.990 ( -0.650 -2.774 0.482) 2.890 7.018 ( -1.328 -0.949 0.226) 1.648 7.233 ( 5.180 5.907 -0.821) 7.899 7.278 ( -4.169 5.288 -1.160) 6.832 7.375 ( 0.409 2.589 5.070) 5.707 7.462 ( 1.194 2.462 3.074) 4.116 7.614 ( 2.019 -4.480 -0.315) 4.925 7.643 ( 2.864 -0.968 1.612) 3.426 7.712 ( 4.271 7.431 1.432) 8.690 7.758 ( -3.392 -0.959 -5.439) 6.481 7.875 ( -1.375 -2.074 -1.393) 2.852 8.007 ( -4.128 2.328 5.594) 7.331 8.115 ( 6.875 3.608 3.876) 8.678 8.212 ( -6.175 -4.955 2.766) 8.386 8.421 ( -2.458 -8.207 3.417) 9.223 8.525 ( 1.011 0.240 -2.655) 2.852 8.582 ( -4.006 -7.822 -2.426) 9.117 8.680 ( 1.818 -7.796 0.504) 8.021 8.798 ( -4.697 -5.119 -3.583) 7.817 8.843 ( -7.279 0.253 -2.118) 7.585 8.894 ( -6.441 -2.202 -0.237) 6.811 8.962 ( -10.566 0.594 1.912) 10.754 9.072 ( -4.322 -5.477 2.891) 7.553 9.483 ( 5.727 -6.200 -5.178) 9.902 9.648 ( 7.836 1.504 -2.246) 8.289 9.675 ( 6.080 -1.002 7.483) 9.694 9.919 ( 10.131 7.532 2.490) 12.867 10.120 ( -8.576 -3.474 -12.200) 15.312 10.568 ( -6.567 -0.048 11.669) 13.390 10.799 ( 14.935 3.014 -10.344) 18.416 11.063 ( 17.763 1.926 9.088) 20.046 11.470 ( -1.103 -10.656 -1.985) 10.896 ======================= Grid point 89 (29/125) ======================= q-point: ( 0.44 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.319 ( -12.207 12.810 4.778) 18.329 2.493 ( -18.989 8.085 13.813) 24.834 2.871 ( 1.256 2.234 -5.343) 5.926 3.233 ( 2.192 -0.060 2.407) 3.256 3.507 ( -7.754 0.653 -12.367) 14.611 3.642 ( -9.454 6.713 -7.725) 13.932 3.819 ( -0.623 -6.617 3.551) 7.535 3.968 ( -9.510 2.086 1.898) 9.920 3.981 ( 1.200 -9.572 -2.166) 9.887 4.199 ( 2.918 -1.698 6.492) 7.317 4.243 ( -8.356 -5.036 8.499) 12.939 4.329 ( -1.182 2.386 -11.976) 12.268 4.674 ( 10.138 -1.358 3.441) 10.792 4.704 ( 4.553 6.064 1.231) 7.682 4.821 ( 0.353 1.342 4.555) 4.762 4.866 ( 4.263 1.363 5.512) 7.100 5.120 ( 0.177 0.472 -7.538) 7.555 5.260 ( 1.235 -5.027 -0.822) 5.242 5.283 ( -2.762 -4.235 -0.013) 5.056 5.498 ( -1.362 -13.842 -2.924) 14.213 5.586 ( -0.546 -4.037 1.047) 4.206 5.702 ( 2.686 -1.100 -2.573) 3.879 6.185 ( -0.762 6.968 0.340) 7.018 6.308 ( 1.155 3.537 0.036) 3.721 6.723 ( 0.048 -1.551 -0.834) 1.761 6.771 ( -2.422 -4.057 -1.864) 5.079 6.851 ( -2.793 -2.623 -0.365) 3.849 6.963 ( -1.496 -0.517 0.970) 1.857 7.014 ( -0.231 6.370 1.731) 6.605 7.040 ( -2.374 0.403 -0.449) 2.449 7.201 ( 5.484 2.029 2.503) 6.360 7.279 ( 4.101 -0.752 -1.796) 4.540 7.457 ( -3.740 1.811 -0.040) 4.155 7.489 ( -0.661 -4.130 3.674) 5.567 7.571 ( -2.967 -1.365 2.171) 3.922 7.603 ( 3.187 -1.473 4.390) 5.621 7.740 ( 2.984 7.986 0.138) 8.527 7.811 ( -2.796 4.437 -3.162) 6.124 7.860 ( -1.144 0.232 -5.629) 5.749 8.066 ( 8.316 4.655 5.695) 11.102 8.120 ( -3.366 2.839 0.986) 4.513 8.273 ( -4.255 -2.276 5.363) 7.215 8.347 ( 0.494 -8.018 1.094) 8.107 8.508 ( -2.572 -3.393 5.334) 6.825 8.532 ( -0.394 0.752 -6.759) 6.812 8.714 ( -7.769 -5.061 1.693) 9.425 8.798 ( -4.051 0.386 -9.088) 9.958 8.916 ( -4.324 -1.623 -1.246) 4.783 9.003 ( -9.653 -1.378 -3.474) 10.352 9.105 ( -7.226 -3.880 3.729) 9.010 9.130 ( -7.416 -4.517 4.288) 9.684 9.405 ( -3.637 -1.867 1.616) 4.396 9.549 ( 6.544 2.975 -0.851) 7.238 9.619 ( 5.035 2.571 4.954) 7.517 9.841 ( 10.335 5.061 2.493) 11.774 10.148 ( -6.763 -1.337 -13.511) 15.168 10.464 ( 17.317 2.329 -9.870) 20.068 10.770 ( -1.097 -0.775 11.391) 11.470 10.817 ( 15.428 -1.749 8.579) 17.739 11.346 ( -0.029 -10.389 -4.296) 11.242 ======================= Grid point 90 (30/125) ======================= q-point: (-0.44 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.497 ( 6.979 4.470 3.406) 8.960 2.716 ( -5.324 -10.386 4.693) 12.579 2.832 ( 1.353 -5.145 6.822) 8.651 3.156 ( 12.667 -0.943 -4.304) 13.412 3.495 ( -1.615 -3.512 -4.360) 5.827 3.672 ( -8.171 -3.942 -9.127) 12.869 3.761 ( 4.852 -4.746 -0.789) 6.833 3.918 ( -10.056 -10.747 1.374) 14.782 4.072 ( 4.808 1.405 1.309) 5.177 4.190 ( -13.737 -3.073 -0.354) 14.081 4.290 ( 3.098 -0.496 -5.562) 6.386 4.415 ( -10.002 -7.277 1.520) 12.462 4.563 ( 5.891 3.087 4.949) 8.290 4.649 ( 9.996 4.162 -2.324) 11.074 4.817 ( 4.826 3.518 -0.538) 5.996 4.872 ( 2.484 -2.458 8.970) 9.627 5.065 ( 0.114 -1.147 -0.156) 1.163 5.233 ( -4.378 -1.060 -0.874) 4.589 5.339 ( -3.424 -3.122 -1.577) 4.895 5.460 ( -7.750 2.893 -4.042) 9.207 5.580 ( -1.711 -4.240 4.884) 6.691 5.688 ( -1.235 4.154 -3.454) 5.542 6.283 ( 0.149 9.532 -0.403) 9.541 6.330 ( 1.874 5.410 0.349) 5.736 6.708 ( -0.741 -1.541 -1.435) 2.232 6.741 ( -1.554 -4.422 -1.860) 5.043 6.865 ( -2.237 -1.049 -0.076) 2.472 6.964 ( 0.520 -1.575 2.288) 2.826 7.085 ( 1.953 3.044 0.781) 3.700 7.124 ( -3.320 3.294 0.346) 4.690 7.169 ( 1.127 6.920 1.135) 7.103 7.208 ( 2.643 -1.275 0.396) 2.962 7.429 ( -0.802 -6.409 -1.423) 6.614 7.490 ( -0.330 -3.506 1.270) 3.743 7.565 ( 1.517 -0.436 3.963) 4.265 7.637 ( -0.675 0.911 5.260) 5.381 7.783 ( 3.236 5.598 0.498) 6.485 7.867 ( -0.323 4.024 -0.173) 4.040 7.886 ( -2.204 4.917 -10.065) 11.417 8.009 ( 7.994 4.746 4.095) 10.158 8.178 ( -0.344 0.925 0.502) 1.107 8.266 ( -0.031 -3.867 0.760) 3.941 8.355 ( -4.259 0.115 3.522) 5.528 8.543 ( -0.438 4.387 -5.489) 7.041 8.601 ( -7.265 -0.712 7.259) 10.294 8.773 ( -8.420 -3.596 -0.611) 9.176 8.854 ( -3.858 3.819 -5.728) 7.892 8.927 ( -2.743 -3.397 0.149) 4.368 9.087 ( -5.637 -0.992 -5.115) 7.676 9.175 ( -7.936 -3.763 0.986) 8.838 9.253 ( -7.775 -0.720 3.578) 8.590 9.375 ( 2.355 -6.153 -1.423) 6.740 9.545 ( 5.685 4.268 -1.194) 7.208 9.644 ( -0.421 4.275 4.823) 6.459 9.807 ( 3.428 9.026 1.326) 9.746 10.066 ( 10.613 -2.353 -4.236) 11.666 10.294 ( -2.556 2.124 -10.266) 10.790 10.539 ( 15.146 -1.434 6.317) 16.473 10.887 ( -3.950 -5.250 6.432) 9.194 11.235 ( -2.882 -9.072 -0.428) 9.528 ======================= Grid point 91 (31/125) ======================= q-point: (-0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( 20.515 -11.751 -4.045) 23.986 2.493 ( 20.102 -13.104 1.061) 24.019 2.824 ( 3.290 -14.153 13.521) 19.848 2.866 ( 7.484 -2.014 2.822) 8.248 3.264 ( 14.339 -12.596 -10.751) 21.906 3.686 ( 2.264 0.175 -5.075) 5.560 3.776 ( -2.271 -5.215 -10.411) 11.863 3.869 ( -6.425 -2.005 -3.462) 7.569 4.162 ( -5.169 4.085 9.419) 11.495 4.227 ( 0.143 3.423 -0.917) 3.547 4.315 ( -7.599 -5.966 -1.106) 9.725 4.411 ( 3.927 0.948 -1.789) 4.418 4.517 ( 0.203 1.137 2.912) 3.133 4.625 ( 2.977 2.677 -3.243) 5.153 4.798 ( 4.077 -5.328 10.798) 12.712 4.804 ( -1.079 -0.187 -1.055) 1.520 5.095 ( -1.888 2.386 0.060) 3.043 5.309 ( -6.789 -0.551 -0.416) 6.824 5.360 ( -3.631 -0.965 -0.976) 3.882 5.578 ( -2.158 -3.398 3.951) 5.640 5.628 ( -6.032 4.904 -3.304) 8.448 5.791 ( -7.433 3.420 -1.574) 8.332 6.343 ( 2.283 5.150 0.287) 5.641 6.395 ( 1.765 10.583 -0.700) 10.752 6.692 ( -1.525 -2.157 -1.788) 3.190 6.719 ( -1.812 -2.944 -1.671) 3.839 6.908 ( -2.950 0.661 1.640) 3.440 6.953 ( 0.988 0.281 2.652) 2.844 7.045 ( 1.826 -1.376 0.525) 2.346 7.134 ( 2.946 -0.508 -2.953) 4.202 7.207 ( 1.844 2.503 1.922) 3.655 7.287 ( -1.819 6.909 0.590) 7.169 7.396 ( -3.912 -3.538 -1.477) 5.477 7.455 ( -1.050 -2.268 -0.913) 2.661 7.575 ( 1.663 3.060 1.973) 4.003 7.655 ( 2.790 -0.686 3.830) 4.788 7.719 ( 8.161 3.225 -1.905) 8.980 7.858 ( 5.398 1.218 2.762) 6.185 7.908 ( 0.917 3.203 -2.393) 4.102 8.016 ( 0.988 1.442 0.534) 1.828 8.176 ( -0.718 3.773 -3.304) 5.066 8.319 ( -5.649 3.577 1.166) 6.787 8.432 ( -3.725 0.503 1.550) 4.066 8.567 ( 0.124 2.731 -2.093) 3.443 8.733 ( -4.942 0.528 4.254) 6.542 8.871 ( -1.349 5.118 -2.617) 5.905 8.920 ( -3.189 2.990 -4.960) 6.612 8.994 ( -9.507 -2.550 4.249) 10.721 9.075 ( 0.720 -4.220 -4.293) 6.063 9.253 ( -2.390 0.776 -2.795) 3.758 9.278 ( -3.608 -2.184 -6.452) 7.708 9.359 ( -1.606 -1.615 2.257) 3.207 9.489 ( 2.615 4.076 3.377) 5.904 9.576 ( 14.304 2.202 -2.213) 14.641 9.855 ( 8.779 4.625 0.894) 9.963 9.989 ( -9.971 -3.521 7.887) 13.191 10.343 ( -1.096 4.097 -0.159) 4.244 10.490 ( -9.917 -0.956 -2.369) 10.241 10.816 ( 1.845 -8.253 -6.681) 10.778 11.275 ( -8.678 -6.138 9.572) 14.304 ======================= Grid point 92 (32/125) ======================= q-point: (-0.22 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( 26.290 -16.620 -7.652) 32.030 1.962 ( 32.677 -7.013 -3.059) 33.561 2.529 ( 11.680 -14.260 10.240) 21.086 2.590 ( 34.015 -6.500 -22.623) 41.364 3.059 ( -2.456 -2.911 24.144) 24.443 3.585 ( 1.252 -1.873 -7.877) 8.193 3.699 ( -0.952 -0.783 -6.248) 6.369 3.911 ( 3.861 -0.196 -11.020) 11.679 4.217 ( -3.754 -1.191 2.624) 4.732 4.347 ( -6.862 1.979 -4.350) 8.363 4.375 ( -1.858 3.043 8.295) 9.029 4.418 ( -0.280 2.513 -0.695) 2.622 4.531 ( 10.307 4.499 5.465) 12.504 4.611 ( -7.825 0.273 -0.225) 7.833 4.685 ( 3.763 -8.564 8.372) 12.553 4.869 ( -3.044 -0.801 -2.607) 4.087 5.154 ( -3.123 1.665 -0.950) 3.664 5.409 ( -4.769 2.776 -0.365) 5.530 5.440 ( -7.481 0.267 2.127) 7.782 5.592 ( -4.016 -4.332 2.275) 6.330 5.714 ( -2.690 2.021 -4.308) 5.466 5.923 ( -6.915 0.351 -0.015) 6.924 6.342 ( 3.133 3.159 -1.481) 4.689 6.464 ( 2.521 7.468 0.705) 7.913 6.703 ( -2.699 -0.648 -1.234) 3.038 6.712 ( -2.120 -1.943 -1.316) 3.162 6.939 ( -0.753 -0.656 2.375) 2.577 7.005 ( -2.512 2.855 1.442) 4.067 7.027 ( -0.301 -0.300 -0.511) 0.665 7.054 ( 3.596 -1.481 -2.288) 4.512 7.153 ( 10.392 0.952 5.007) 11.575 7.275 ( 0.047 -3.200 -7.164) 7.846 7.429 ( 3.949 1.080 -5.798) 7.098 7.477 ( 7.745 4.754 -6.266) 11.038 7.529 ( -11.142 -0.037 1.151) 11.201 7.675 ( 1.289 1.871 5.072) 5.557 7.699 ( 2.723 4.929 6.096) 8.299 7.814 ( 1.241 -0.377 -1.561) 2.029 7.869 ( 3.064 -4.030 3.149) 5.962 7.972 ( 3.088 -0.631 -1.343) 3.426 8.250 ( -3.315 5.717 -3.896) 7.671 8.450 ( -0.693 3.124 0.766) 3.290 8.526 ( -4.230 5.770 -0.839) 7.204 8.563 ( 2.323 2.274 -0.310) 3.266 8.776 ( -0.522 -1.333 0.569) 1.541 8.891 ( -0.176 -1.114 -4.149) 4.300 8.915 ( 2.852 -0.206 -0.372) 2.883 9.022 ( 1.984 2.807 -5.300) 6.317 9.103 ( -2.740 -3.912 -1.567) 5.027 9.194 ( 6.922 4.317 -1.350) 8.268 9.302 ( 4.849 6.207 0.010) 7.877 9.411 ( -7.099 -1.507 -0.843) 7.306 9.418 ( -4.764 -4.130 -1.538) 6.489 9.581 ( 0.677 4.172 11.028) 11.810 9.770 ( 3.854 -1.568 5.759) 7.105 10.181 ( -12.876 -1.426 0.647) 12.971 10.446 ( -3.949 5.783 3.650) 7.897 10.639 ( -0.267 -7.375 -7.692) 10.659 10.697 ( -15.957 -1.664 -7.103) 17.545 11.411 ( -9.103 -3.852 9.811) 13.926 ======================= Grid point 93 (33/125) ======================= q-point: (-0.11 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( 30.681 0.000 -9.417) 32.094 1.349 ( 38.548 0.000 -7.419) 39.256 1.786 ( 46.668 0.000 -24.747) 52.823 2.349 ( 7.807 -0.000 9.160) 12.036 3.200 ( 3.468 -0.000 30.515) 30.711 3.562 ( -2.693 0.000 -5.397) 6.032 3.659 ( 5.013 0.000 -1.502) 5.233 3.764 ( -2.425 0.000 -22.334) 22.465 4.263 ( 2.017 0.000 -3.738) 4.247 4.336 ( 2.560 0.000 -2.021) 3.261 4.420 ( 2.925 -0.000 11.254) 11.628 4.482 ( -9.007 -0.000 -1.559) 9.140 4.582 ( 0.750 0.000 -2.218) 2.341 4.593 ( 0.822 -0.000 16.614) 16.634 4.732 ( -5.158 -0.000 1.993) 5.530 4.832 ( 2.512 0.000 -6.541) 7.006 5.206 ( -1.963 -0.000 0.826) 2.129 5.494 ( -4.145 0.000 -2.348) 4.764 5.588 ( -8.643 -0.000 4.519) 9.753 5.655 ( -6.124 -0.000 1.516) 6.309 5.723 ( -1.840 0.000 -5.789) 6.075 6.002 ( -2.921 -0.000 0.864) 3.046 6.305 ( 3.384 0.000 -1.229) 3.601 6.469 ( 3.394 -0.000 1.398) 3.671 6.727 ( -2.071 -0.000 0.383) 2.106 6.750 ( -3.875 0.000 -0.823) 3.962 6.916 ( 12.021 0.000 -3.308) 12.467 6.976 ( -2.785 -0.000 3.610) 4.560 7.013 ( 4.914 -0.000 2.306) 5.428 7.047 ( -1.289 0.000 -1.371) 1.882 7.072 ( -2.367 0.000 -0.674) 2.461 7.237 ( -0.812 0.000 -4.790) 4.858 7.303 ( 6.663 0.000 -3.533) 7.542 7.441 ( 1.881 0.000 -5.898) 6.190 7.591 ( 4.192 -0.000 1.633) 4.498 7.623 ( 7.372 0.000 -1.285) 7.483 7.799 ( -9.968 -0.000 4.943) 11.127 7.811 ( -0.305 -0.000 5.185) 5.194 7.863 ( -3.804 0.000 -1.764) 4.193 7.918 ( 1.467 0.000 -3.501) 3.796 8.330 ( -3.159 0.000 -2.730) 4.176 8.356 ( 11.346 0.000 -2.173) 11.553 8.546 ( -0.145 0.000 -1.699) 1.706 8.637 ( -2.876 -0.000 0.828) 2.992 8.787 ( 3.519 -0.000 5.942) 6.905 8.840 ( 1.773 0.000 -2.674) 3.209 8.846 ( 2.416 0.000 -1.094) 2.652 8.934 ( 10.599 0.000 -2.652) 10.926 8.990 ( 4.040 0.000 -6.785) 7.896 9.190 ( 2.816 -0.000 4.605) 5.398 9.302 ( -3.807 0.000 -4.586) 5.960 9.516 ( -6.699 -0.000 9.086) 11.289 9.591 ( -13.281 -0.000 1.482) 13.363 9.629 ( -1.694 -0.000 3.760) 4.124 9.763 ( 1.009 -0.000 3.302) 3.453 10.281 ( -2.647 0.000 -9.014) 9.395 10.507 ( 4.973 0.000 -4.229) 6.528 10.651 ( -12.070 -0.000 13.790) 18.327 10.924 ( -18.148 0.000 -11.741) 21.615 11.556 ( -7.169 -0.000 6.113) 9.421 ======================= Grid point 94 (34/125) ======================= q-point: ( 0.00 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( 32.643 -0.000 0.000) 32.643 1.314 ( 41.661 -0.000 0.000) 41.661 1.652 ( 49.869 -0.000 0.000) 49.869 2.397 ( 7.598 -0.000 0.000) 7.598 3.495 ( 13.789 -0.000 0.000) 13.789 3.502 ( -9.186 0.000 -0.000) 9.186 3.533 ( -3.127 0.000 -0.000) 3.127 3.659 ( 1.127 -0.000 0.000) 1.127 4.236 ( 4.744 -0.000 0.000) 4.744 4.331 ( -0.909 0.000 -0.000) 0.909 4.473 ( -9.633 0.000 -0.000) 9.633 4.503 ( 3.369 -0.000 0.000) 3.369 4.549 ( 0.648 -0.000 0.000) 0.648 4.689 ( 0.818 -0.000 0.000) 0.818 4.754 ( -6.613 0.000 -0.000) 6.613 4.784 ( 4.591 -0.000 0.000) 4.591 5.205 ( -3.528 0.000 -0.000) 3.528 5.485 ( -3.049 0.000 -0.000) 3.049 5.598 ( -9.683 0.000 -0.000) 9.683 5.675 ( -5.605 0.000 -0.000) 5.605 5.689 ( -0.844 0.000 -0.000) 0.844 6.006 ( -3.203 0.000 -0.000) 3.203 6.299 ( 3.266 -0.000 0.000) 3.266 6.477 ( 3.071 -0.000 0.000) 3.071 6.729 ( -3.166 0.000 -0.000) 3.166 6.746 ( -4.042 0.000 -0.000) 4.042 6.896 ( 12.410 -0.000 0.000) 12.410 7.000 ( -5.224 0.000 -0.000) 5.224 7.027 ( 7.210 -0.000 0.000) 7.210 7.040 ( -1.221 0.000 -0.000) 1.221 7.065 ( -0.842 0.000 -0.000) 0.842 7.207 ( -2.481 0.000 -0.000) 2.481 7.283 ( 5.394 -0.000 0.000) 5.394 7.411 ( 2.325 -0.000 0.000) 2.325 7.598 ( 1.580 -0.000 0.000) 1.580 7.612 ( 10.500 -0.000 0.000) 10.500 7.842 ( -5.777 0.000 -0.000) 5.777 7.850 ( 2.021 -0.000 0.000) 2.021 7.850 ( -5.755 0.000 -0.000) 5.755 7.888 ( 0.585 -0.000 0.000) 0.585 8.310 ( -2.839 0.000 -0.000) 2.839 8.344 ( 11.866 -0.000 0.000) 11.866 8.537 ( -0.777 0.000 -0.000) 0.777 8.642 ( -2.935 0.000 -0.000) 2.935 8.821 ( 1.430 -0.000 0.000) 1.430 8.822 ( -2.347 0.000 -0.000) 2.347 8.847 ( 7.231 -0.000 0.000) 7.231 8.920 ( 9.687 -0.000 0.000) 9.687 8.945 ( 4.497 -0.000 0.000) 4.497 9.231 ( 4.895 -0.000 0.000) 4.895 9.263 ( -6.149 0.000 -0.000) 6.149 9.557 ( -13.083 0.000 -0.000) 13.083 9.600 ( -14.898 0.000 -0.000) 14.898 9.661 ( 5.143 -0.000 0.000) 5.143 9.781 ( 2.655 -0.000 0.000) 2.655 10.226 ( -2.599 0.000 -0.000) 2.599 10.485 ( 5.372 -0.000 0.000) 5.372 10.777 ( -15.383 0.000 -0.000) 15.383 10.811 ( -15.608 0.000 -0.000) 15.608 11.589 ( -6.340 0.000 -0.000) 6.340 ======================= Grid point 96 (35/125) ======================= q-point: ( 0.22 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( 0.000 26.306 19.848) 32.954 0.910 ( 0.000 24.902 34.534) 42.576 1.525 ( 0.000 59.866 14.544) 61.608 2.606 ( 0.000 29.624 -10.979) 31.593 3.034 ( -0.000 0.108 -24.258) 24.259 3.550 ( -0.000 -4.437 4.864) 6.584 3.589 ( -0.000 -3.573 -0.937) 3.693 3.848 ( 0.000 -0.896 19.551) 19.572 4.078 ( -0.000 -2.248 3.160) 3.878 4.245 ( -0.000 -8.946 -4.997) 10.247 4.505 ( -0.000 -6.845 -1.120) 6.936 4.537 ( 0.000 8.406 -2.741) 8.842 4.672 ( 0.000 3.059 1.215) 3.292 4.689 ( -0.000 5.714 -16.265) 17.239 4.781 ( 0.000 4.428 4.553) 6.351 4.867 ( 0.000 2.361 0.223) 2.371 5.126 ( -0.000 -6.572 -3.779) 7.581 5.605 ( -0.000 -6.081 -6.834) 9.148 5.618 ( -0.000 -6.246 5.568) 8.367 5.828 ( -0.000 4.292 -11.383) 12.166 6.012 ( 0.000 2.874 1.263) 3.140 6.037 ( -0.000 -2.900 2.402) 3.766 6.039 ( -0.000 -5.794 5.763) 8.172 6.076 ( -0.000 -10.925 2.055) 11.116 6.675 ( 0.000 0.802 0.637) 1.024 6.744 ( -0.000 -3.952 -0.013) 3.952 6.824 ( -0.000 -0.864 -0.410) 0.956 6.876 ( 0.000 3.351 0.534) 3.394 7.029 ( -0.000 -2.026 0.488) 2.084 7.048 ( -0.000 -0.807 0.882) 1.195 7.076 ( 0.000 6.545 -0.159) 6.547 7.152 ( -0.000 5.269 -9.912) 11.225 7.387 ( 0.000 5.240 4.519) 6.919 7.408 ( 0.000 2.639 5.239) 5.866 7.521 ( 0.000 4.520 -2.553) 5.191 7.685 ( 0.000 -0.259 5.097) 5.103 7.813 ( 0.000 -0.395 2.488) 2.519 7.838 ( -0.000 -7.562 -1.568) 7.723 7.895 ( -0.000 -4.627 4.346) 6.348 8.028 ( -0.000 -3.606 2.822) 4.579 8.093 ( -0.000 -1.893 0.671) 2.009 8.321 ( 0.000 0.587 11.116) 11.132 8.406 ( -0.000 -4.884 0.351) 4.897 8.530 ( -0.000 -0.716 -9.342) 9.369 8.645 ( -0.000 -4.755 -0.416) 4.773 8.677 ( -0.000 -1.002 0.949) 1.380 8.725 ( -0.000 -2.104 -1.500) 2.584 8.799 ( -0.000 -5.177 6.212) 8.087 8.865 ( -0.000 -1.121 0.955) 1.473 9.205 ( -0.000 -10.194 -9.163) 13.707 9.320 ( -0.000 -20.894 -2.677) 21.064 9.567 ( 0.000 10.276 -10.260) 14.521 9.725 ( -0.000 -1.404 -12.834) 12.911 9.755 ( 0.000 1.399 6.623) 6.769 9.913 ( -0.000 1.268 -6.899) 7.014 10.223 ( 0.000 2.541 18.883) 19.053 10.338 ( 0.000 -2.538 7.730) 8.136 10.959 ( -0.000 5.600 -17.761) 18.623 11.297 ( 0.000 4.040 14.674) 15.220 11.657 ( -0.000 -8.830 4.846) 10.073 ======================= Grid point 97 (36/125) ======================= q-point: ( 0.33 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( -19.788 22.126 15.805) 33.629 1.495 ( -18.334 20.966 27.664) 39.256 2.290 ( -10.457 47.276 13.637) 50.303 2.870 ( -2.650 24.721 -15.344) 29.216 2.996 ( -9.780 4.815 -25.618) 27.840 3.454 ( 4.128 -5.931 4.067) 8.292 3.640 ( -5.717 0.201 2.820) 6.378 3.931 ( -0.573 -1.312 15.516) 15.582 4.097 ( -3.726 -5.138 3.119) 7.071 4.156 ( -3.132 -6.714 1.428) 7.545 4.375 ( 3.998 -8.804 -2.887) 10.091 4.558 ( 7.888 3.488 -10.847) 13.858 4.610 ( 3.069 10.184 -2.829) 11.006 4.804 ( -2.616 6.286 -7.525) 10.148 4.830 ( -3.039 1.130 3.339) 4.654 4.869 ( 4.755 3.201 3.992) 6.985 5.064 ( -3.014 -5.802 -1.695) 6.754 5.448 ( 4.317 -7.716 -6.369) 10.896 5.559 ( 3.553 -4.763 4.254) 7.308 5.756 ( 4.513 -0.783 -5.629) 7.257 5.879 ( 3.355 -13.596 1.446) 14.079 5.885 ( -0.444 -12.951 -2.375) 13.174 6.086 ( -3.624 -2.612 3.885) 5.920 6.188 ( -3.957 4.245 2.033) 6.149 6.730 ( -4.433 -0.161 -0.565) 4.472 6.744 ( -5.367 -4.453 -0.271) 6.979 6.797 ( 0.703 -1.471 -0.653) 1.756 6.901 ( 1.380 3.324 0.329) 3.614 7.015 ( -0.657 -2.876 0.187) 2.956 7.025 ( 0.445 -1.204 0.435) 1.356 7.161 ( -1.367 6.717 -0.964) 6.922 7.188 ( 0.352 7.414 -3.695) 8.292 7.410 ( 3.731 4.193 5.685) 7.989 7.458 ( 0.252 3.046 2.197) 3.764 7.596 ( -1.149 6.112 0.118) 6.220 7.720 ( -1.386 -2.307 -1.405) 3.036 7.724 ( 2.947 -6.024 0.845) 6.759 7.784 ( 5.045 -1.602 2.454) 5.834 7.881 ( -0.911 -0.103 4.290) 4.387 7.990 ( 0.831 -2.363 3.792) 4.545 8.142 ( -8.834 -4.149 1.937) 9.950 8.257 ( 7.859 -0.040 7.860) 11.115 8.438 ( -4.154 -3.292 -0.339) 5.311 8.507 ( -2.361 -4.290 -3.950) 6.291 8.611 ( -3.171 -5.535 -1.356) 6.521 8.716 ( -5.544 -1.416 -0.813) 5.779 8.759 ( -5.707 -0.636 1.975) 6.073 8.794 ( -3.116 -4.619 -1.348) 5.732 8.854 ( -1.023 -1.981 2.473) 3.330 8.982 ( 6.910 -13.548 -2.541) 15.419 9.104 ( -1.635 -9.396 -1.591) 9.669 9.596 ( 3.355 -5.943 -4.278) 8.055 9.637 ( -0.735 5.329 -16.349) 17.211 9.806 ( 4.182 2.505 9.992) 11.118 9.876 ( -1.671 1.486 -7.846) 8.158 10.175 ( 9.152 -3.102 8.917) 13.149 10.505 ( -9.353 0.657 12.583) 15.692 10.866 ( 8.606 5.811 -15.907) 18.997 11.315 ( 11.045 2.616 11.516) 16.170 11.569 ( 0.680 -9.468 1.313) 9.582 ======================= Grid point 98 (37/125) ======================= q-point: ( 0.44 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( -19.820 17.578 11.378) 28.832 2.127 ( -20.919 15.976 21.486) 33.978 2.769 ( -2.273 12.838 -2.527) 13.280 3.138 ( -7.871 13.529 -23.486) 28.224 3.209 ( -14.177 26.756 0.030) 30.280 3.373 ( -3.050 -8.962 2.780) 9.867 3.765 ( -7.885 0.554 0.010) 7.905 3.976 ( -0.421 -4.582 9.788) 10.816 4.101 ( 0.288 -1.103 2.209) 2.485 4.176 ( -0.744 -8.091 -5.827) 9.998 4.245 ( -7.036 -7.405 9.410) 13.889 4.386 ( 11.144 2.758 -7.762) 13.858 4.664 ( 3.425 10.242 -2.564) 11.100 4.792 ( 6.290 4.418 1.605) 7.852 4.848 ( 0.713 0.144 1.535) 1.698 4.941 ( -2.938 3.403 -3.710) 5.828 5.046 ( 1.029 -3.045 4.264) 5.340 5.279 ( 0.819 -7.173 -6.226) 9.534 5.446 ( 4.386 -8.498 1.457) 9.673 5.628 ( 2.194 -8.056 -1.005) 8.409 5.684 ( 2.004 -15.724 -1.953) 15.971 5.760 ( 0.376 -6.482 -2.037) 6.805 6.133 ( -1.327 1.533 2.844) 3.493 6.271 ( -0.855 3.734 -0.148) 3.834 6.741 ( 0.100 -0.901 -1.075) 1.406 6.760 ( -4.006 -5.644 -0.955) 6.987 6.823 ( -4.122 -1.629 -0.035) 4.433 6.925 ( 0.154 3.929 -0.282) 3.942 6.997 ( -0.154 -1.201 0.788) 1.444 7.020 ( -0.527 0.093 0.013) 0.535 7.225 ( 2.379 4.880 -0.629) 5.465 7.265 ( -3.383 4.438 -1.165) 5.701 7.430 ( 2.562 1.689 4.488) 5.437 7.498 ( -1.941 1.329 3.780) 4.453 7.613 ( 1.915 -5.224 0.028) 5.565 7.650 ( 1.521 4.369 -1.739) 4.942 7.702 ( 1.316 1.488 -2.385) 3.104 7.728 ( 2.471 2.365 0.991) 3.561 7.893 ( 1.335 -2.189 4.690) 5.345 8.038 ( -3.708 2.073 1.696) 4.574 8.194 ( 7.867 2.196 9.621) 12.621 8.243 ( -8.286 -5.049 3.452) 10.299 8.452 ( 0.271 -3.794 0.852) 3.898 8.482 ( -2.083 -1.729 -4.533) 5.280 8.575 ( -2.695 -8.035 1.291) 8.573 8.667 ( -1.233 -7.781 -3.287) 8.536 8.752 ( -4.136 -8.768 -4.151) 10.546 8.833 ( -4.944 1.433 -0.426) 5.165 8.892 ( -4.994 -2.704 0.145) 5.681 8.993 ( -11.719 0.388 3.692) 12.293 9.095 ( -4.388 -2.370 1.599) 5.237 9.434 ( 2.472 -5.239 -4.643) 7.424 9.612 ( 3.507 0.947 -3.573) 5.095 9.742 ( 5.393 -2.585 2.260) 6.394 9.936 ( 3.579 10.498 1.362) 11.174 10.036 ( 3.695 -6.367 -1.487) 7.510 10.608 ( 9.977 3.356 -8.596) 13.591 10.762 ( -2.785 1.343 7.248) 7.879 11.152 ( 18.105 0.213 8.159) 19.860 11.442 ( 1.956 -9.152 -3.422) 9.965 ======================= Grid point 99 (38/125) ======================= q-point: ( 0.56 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.385 ( -10.927 11.938 7.631) 17.893 2.660 ( -17.239 7.034 18.382) 26.164 2.824 ( 1.038 2.149 -3.292) 4.066 3.179 ( 4.766 9.979 -12.754) 16.881 3.427 ( -13.501 -4.293 -6.722) 15.681 3.581 ( -4.524 1.757 -0.918) 4.939 3.847 ( -5.029 -6.785 1.707) 8.616 3.929 ( 1.856 -5.782 -5.288) 8.052 4.013 ( -6.544 -2.686 3.353) 7.828 4.207 ( 5.708 0.147 -6.996) 9.030 4.263 ( -2.666 1.596 4.834) 5.746 4.346 ( -8.695 -7.537 7.974) 14.000 4.690 ( 5.337 7.879 -3.471) 10.129 4.705 ( 9.029 0.411 2.800) 9.462 4.867 ( 2.251 -1.013 3.468) 4.257 4.926 ( 4.170 5.108 5.200) 8.398 5.056 ( -2.655 1.620 -3.624) 4.776 5.244 ( -1.460 -4.438 -1.430) 4.886 5.288 ( -1.979 -8.749 0.062) 8.970 5.457 ( -0.106 -14.563 -5.295) 15.496 5.577 ( 0.389 0.679 -2.092) 2.234 5.694 ( 1.123 -3.484 0.799) 3.746 6.194 ( -0.186 6.026 1.233) 6.154 6.305 ( 0.927 3.866 -0.601) 4.021 6.717 ( -0.307 -2.375 -0.118) 2.398 6.754 ( -1.905 -3.715 -1.360) 4.391 6.845 ( -2.974 -2.734 -0.822) 4.122 6.973 ( -1.830 0.667 0.920) 2.154 7.028 ( 0.073 4.497 0.723) 4.555 7.039 ( -1.406 3.362 0.457) 3.672 7.222 ( 2.724 1.427 1.668) 3.499 7.254 ( 4.616 -0.175 -2.879) 5.443 7.450 ( -1.386 -1.383 -0.319) 1.984 7.536 ( 0.971 -4.140 4.007) 5.843 7.611 ( -4.892 0.775 5.182) 7.169 7.656 ( 2.938 2.027 5.023) 6.162 7.698 ( -0.990 3.678 -8.975) 9.750 7.746 ( 1.078 7.250 -3.100) 7.958 7.876 ( 1.428 -0.914 4.775) 5.067 8.094 ( 2.459 2.529 0.398) 3.550 8.177 ( 2.809 2.917 8.798) 9.685 8.318 ( -3.973 -1.355 2.255) 4.765 8.355 ( 2.232 -7.168 1.524) 7.660 8.460 ( -0.651 1.111 -6.465) 6.592 8.574 ( -5.409 -5.092 6.803) 10.072 8.695 ( -4.256 -2.059 -10.223) 11.263 8.729 ( -7.780 -2.902 0.765) 8.339 8.903 ( -4.076 -1.315 -1.277) 4.469 8.963 ( -6.786 -0.632 -4.229) 8.021 9.139 ( -8.447 -6.759 2.601) 11.127 9.180 ( -6.080 0.265 5.202) 8.006 9.419 ( -5.397 -4.084 1.332) 6.898 9.538 ( 3.897 1.796 -1.309) 4.486 9.665 ( 4.166 0.943 3.187) 5.329 9.870 ( 10.980 2.957 2.599) 11.664 10.035 ( -4.392 2.914 -6.991) 8.755 10.357 ( 17.047 4.099 -10.966) 20.679 10.853 ( 11.151 -0.850 5.677) 12.542 10.927 ( 3.406 -3.284 11.417) 12.358 11.293 ( 0.602 -8.745 -5.943) 10.591 ======================= Grid point 100 (39/125) ======================= q-point: (-0.33 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.543 ( 11.804 3.976 5.227) 13.508 2.731 ( -4.072 -10.281 -0.004) 11.058 2.942 ( -0.652 -5.024 11.960) 12.989 3.090 ( 12.475 5.361 -6.727) 15.153 3.462 ( 1.074 -10.371 -4.879) 11.511 3.572 ( -13.911 -1.426 -6.920) 15.602 3.776 ( 5.635 -5.563 2.576) 8.327 3.912 ( -5.259 -13.205 -3.049) 14.537 4.068 ( -5.566 2.137 -1.139) 6.070 4.186 ( -8.387 -3.157 -0.154) 8.963 4.263 ( 2.742 -3.008 -0.275) 4.079 4.436 ( -5.463 -5.022 1.315) 7.536 4.604 ( 10.412 4.164 0.435) 11.222 4.619 ( 4.795 2.504 -0.312) 5.418 4.814 ( 5.307 1.767 0.383) 5.607 4.950 ( 2.566 -0.203 6.181) 6.696 5.082 ( -0.756 -3.000 2.708) 4.112 5.209 ( -5.499 0.336 -3.274) 6.408 5.330 ( -0.769 -0.985 -0.797) 1.482 5.418 ( -10.971 0.211 -3.776) 11.604 5.615 ( -2.660 1.609 1.572) 3.484 5.664 ( -1.250 -0.351 -0.840) 1.546 6.283 ( 0.623 10.032 0.195) 10.053 6.333 ( 1.740 5.146 0.264) 5.439 6.698 ( -0.520 -2.492 -0.486) 2.592 6.724 ( -1.428 -4.266 -1.617) 4.780 6.865 ( -3.019 -0.939 0.096) 3.163 6.989 ( 0.402 -0.809 2.227) 2.403 7.068 ( -1.500 2.480 -2.550) 3.860 7.135 ( 4.310 -0.106 0.074) 4.312 7.172 ( -0.370 10.463 0.928) 10.510 7.230 ( 0.364 0.572 2.900) 2.978 7.397 ( -0.763 -6.332 -3.299) 7.181 7.499 ( 1.608 -3.153 -0.282) 3.551 7.617 ( 3.458 0.390 5.630) 6.618 7.701 ( 0.578 2.333 2.200) 3.258 7.746 ( -0.827 4.093 -1.537) 4.450 7.840 ( -2.439 6.138 -0.694) 6.641 7.870 ( 1.595 3.159 1.021) 3.683 8.035 ( 7.743 3.219 0.213) 8.388 8.190 ( 2.900 0.107 1.709) 3.368 8.280 ( -0.318 -3.528 1.849) 3.995 8.387 ( -4.617 -2.021 2.477) 5.616 8.493 ( -0.838 6.602 -3.002) 7.300 8.671 ( -6.043 0.075 4.499) 7.535 8.729 ( -7.986 0.713 -6.321) 10.210 8.824 ( -5.974 -0.392 -0.224) 5.991 8.931 ( -4.653 -3.127 0.316) 5.616 9.027 ( -5.775 -0.317 -5.753) 8.158 9.176 ( -7.538 -7.201 -0.629) 10.444 9.297 ( -1.567 -3.606 3.251) 5.102 9.370 ( -1.178 -3.169 1.353) 3.641 9.528 ( 5.071 3.138 -2.158) 6.341 9.682 ( 3.145 3.213 2.659) 5.223 9.825 ( 3.940 9.260 2.000) 10.260 10.022 ( 5.312 -0.270 -3.991) 6.649 10.211 ( -2.799 3.583 -6.013) 7.538 10.614 ( 14.274 -2.861 7.997) 16.610 10.905 ( 2.780 -6.441 -2.476) 7.440 11.248 ( -7.606 -6.214 2.601) 10.160 ======================= Grid point 101 (40/125) ======================= q-point: (-0.22 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.190 ( 22.661 -14.187 -1.666) 26.787 2.515 ( 26.524 -8.730 3.004) 28.085 2.836 ( 7.186 2.084 -6.962) 10.220 2.933 ( 6.205 -16.309 7.412) 18.959 3.251 ( 4.936 -15.896 6.457) 17.854 3.631 ( -3.506 -5.009 -6.510) 8.931 3.663 ( 5.058 -7.077 -9.223) 12.678 3.858 ( -5.146 3.059 0.816) 6.041 4.222 ( -5.221 1.017 0.704) 5.366 4.231 ( -0.926 0.597 3.207) 3.391 4.289 ( -5.212 0.458 -4.276) 6.757 4.374 ( -1.924 -0.394 -3.406) 3.931 4.547 ( 1.966 2.503 2.605) 4.113 4.630 ( 4.483 3.062 3.899) 6.684 4.778 ( 0.296 1.404 -3.911) 4.166 4.909 ( 2.657 -5.852 10.377) 12.206 5.080 ( -2.162 0.163 -3.734) 4.317 5.307 ( -7.849 -0.826 -0.167) 7.894 5.354 ( -2.449 1.299 0.295) 2.788 5.583 ( -6.141 5.467 -2.676) 8.647 5.624 ( -1.346 -3.502 2.181) 4.339 5.777 ( -9.399 1.831 -1.005) 9.628 6.346 ( 3.036 4.484 0.307) 5.424 6.390 ( 1.919 11.582 -0.373) 11.746 6.679 ( -1.584 -2.387 -0.780) 2.969 6.703 ( -1.937 -3.030 -1.372) 3.849 6.927 ( -3.735 1.588 1.854) 4.462 6.977 ( 1.383 -0.430 1.822) 2.328 7.045 ( 1.695 -2.399 -0.387) 2.963 7.089 ( 1.565 2.092 -4.561) 5.256 7.217 ( 1.584 -3.504 0.227) 3.852 7.317 ( 2.749 11.323 3.603) 12.197 7.386 ( -5.417 -0.976 0.008) 5.504 7.442 ( -0.117 -2.221 -1.405) 2.630 7.594 ( 7.361 1.587 2.386) 7.899 7.666 ( 7.438 -1.538 -1.992) 7.852 7.725 ( 0.611 2.458 2.061) 3.266 7.834 ( 1.557 3.164 -3.951) 5.296 7.942 ( 3.157 2.309 5.604) 6.834 8.028 ( -0.368 1.533 1.480) 2.163 8.150 ( 2.793 3.778 -1.847) 5.048 8.323 ( -4.824 4.873 -0.630) 6.886 8.435 ( -3.708 -0.311 -0.672) 3.782 8.557 ( 0.519 4.557 0.466) 4.610 8.764 ( -3.283 0.438 0.563) 3.360 8.827 ( -2.809 4.077 -4.380) 6.610 8.903 ( -2.031 1.671 1.911) 3.251 9.001 ( -3.791 -0.110 -4.596) 5.959 9.070 ( -7.174 -8.260 4.756) 11.930 9.205 ( -6.983 -3.262 -6.874) 10.327 9.229 ( -2.948 -2.819 -1.753) 4.440 9.385 ( 3.513 -2.355 2.076) 4.711 9.535 ( 3.345 6.308 2.874) 7.697 9.560 ( 11.555 7.072 0.931) 13.579 9.839 ( 8.055 8.476 -3.395) 12.176 10.055 ( -11.438 -5.701 4.780) 13.645 10.341 ( -11.270 -0.226 -0.444) 11.281 10.505 ( 0.819 -0.600 4.805) 4.911 10.733 ( 4.157 -6.994 -8.798) 11.984 11.356 ( -9.941 -4.790 5.872) 12.499 ======================= Grid point 102 (41/125) ======================= q-point: (-0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( 28.097 -17.166 -2.626) 33.030 1.950 ( 36.969 -5.188 -0.021) 37.331 2.410 ( 36.968 -7.948 -9.599) 39.012 2.616 ( 10.037 -15.955 4.457) 19.369 3.275 ( -7.560 0.445 15.237) 17.015 3.535 ( -0.196 -4.012 -0.383) 4.035 3.609 ( -4.663 -3.442 -11.170) 12.584 3.825 ( 13.546 1.722 -4.370) 14.337 4.244 ( -4.614 -3.178 2.042) 5.963 4.301 ( -6.114 4.408 -3.538) 8.327 4.346 ( 0.113 2.750 -3.196) 4.218 4.495 ( -4.055 -0.270 7.566) 8.589 4.559 ( 1.335 3.924 -2.570) 4.877 4.644 ( -1.373 1.826 7.316) 7.664 4.725 ( 3.628 -0.268 -2.831) 4.610 4.866 ( 0.331 -6.758 2.647) 7.266 5.128 ( -5.089 1.552 -2.797) 6.011 5.419 ( -3.739 2.347 1.622) 4.703 5.443 ( -9.082 0.551 -0.886) 9.142 5.620 ( -3.079 -3.308 2.069) 4.971 5.678 ( -2.032 1.817 -2.186) 3.494 5.921 ( -8.246 -0.386 -0.261) 8.259 6.332 ( 3.509 2.894 -0.533) 4.580 6.469 ( 2.550 8.471 0.243) 8.850 6.695 ( -3.171 -0.969 -0.405) 3.340 6.701 ( -2.261 -1.971 -0.686) 3.077 6.959 ( -0.638 -0.964 1.201) 1.667 7.017 ( -2.031 1.888 0.822) 2.893 7.022 ( -0.339 0.588 -0.386) 0.781 7.032 ( 4.465 -0.735 -1.520) 4.773 7.165 ( 0.906 -0.346 -1.969) 2.195 7.271 ( 12.541 -4.599 5.218) 14.341 7.373 ( 7.979 3.119 -5.410) 10.132 7.420 ( 2.680 2.627 -3.556) 5.170 7.534 ( -8.880 0.171 0.103) 8.882 7.702 ( -0.310 5.517 0.869) 5.593 7.758 ( -0.625 0.685 3.334) 3.460 7.807 ( 3.795 3.010 0.283) 4.852 7.912 ( 3.171 -3.502 3.780) 6.050 7.960 ( 4.657 -3.609 -0.906) 5.961 8.211 ( -2.521 8.161 -2.988) 9.049 8.459 ( 1.826 6.187 0.881) 6.511 8.498 ( -2.406 3.074 -2.645) 4.715 8.569 ( -0.717 1.795 0.564) 2.013 8.792 ( -1.114 -1.623 2.603) 3.264 8.839 ( -2.140 -1.959 -5.168) 5.926 8.933 ( 3.344 1.900 3.455) 5.171 8.974 ( 3.114 2.712 -4.218) 5.903 9.075 ( 1.851 -5.222 -2.113) 5.930 9.200 ( 0.058 0.284 0.979) 1.021 9.301 ( 4.202 6.516 -0.090) 7.754 9.402 ( -9.829 -2.026 -0.443) 10.046 9.409 ( -3.806 -3.076 -0.494) 4.919 9.701 ( 2.592 6.906 11.215) 13.424 9.783 ( 3.502 4.399 -3.765) 6.767 10.163 ( -10.085 -6.672 -1.972) 12.251 10.517 ( -8.189 0.993 8.552) 11.882 10.583 ( 0.269 -4.167 -2.953) 5.115 10.617 ( -14.214 -0.868 -8.348) 16.507 11.482 ( -8.919 -3.295 3.708) 10.206 ======================= Grid point 106 (42/125) ======================= q-point: ( 0.33 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( 0.000 19.136 29.462) 35.132 1.273 ( 0.000 25.075 32.603) 41.130 1.772 ( 0.000 45.157 34.821) 57.024 2.457 ( 0.000 28.576 -17.652) 33.589 2.744 ( -0.000 2.501 -31.238) 31.338 3.594 ( -0.000 -4.106 1.881) 4.516 3.597 ( -0.000 -3.710 2.164) 4.295 4.040 ( 0.000 -3.108 17.013) 17.295 4.064 ( -0.000 4.261 -10.302) 11.149 4.192 ( -0.000 -5.826 -4.883) 7.602 4.488 ( -0.000 -6.070 -1.555) 6.266 4.503 ( 0.000 8.454 -3.718) 9.236 4.540 ( -0.000 -0.219 -6.455) 6.459 4.692 ( 0.000 4.399 2.778) 5.202 4.844 ( 0.000 2.635 6.502) 7.016 4.870 ( 0.000 3.839 0.370) 3.857 5.077 ( -0.000 -5.689 -5.256) 7.746 5.509 ( -0.000 -5.542 -13.388) 14.489 5.672 ( -0.000 -5.602 4.341) 7.087 5.727 ( -0.000 4.096 -6.721) 7.871 6.024 ( -0.000 -7.057 1.119) 7.145 6.060 ( -0.000 -11.615 0.217) 11.617 6.074 ( 0.000 5.165 4.459) 6.823 6.119 ( -0.000 -4.933 4.534) 6.701 6.683 ( 0.000 0.727 1.020) 1.252 6.742 ( -0.000 -4.003 -0.424) 4.025 6.820 ( -0.000 -1.879 -0.323) 1.906 6.879 ( 0.000 3.020 -0.212) 3.027 7.035 ( -0.000 -1.468 0.800) 1.672 7.058 ( -0.000 -1.975 0.651) 2.079 7.076 ( 0.000 7.153 0.354) 7.162 7.083 ( 0.000 4.050 -3.937) 5.648 7.402 ( 0.000 6.492 -0.927) 6.558 7.414 ( -0.000 1.638 -4.024) 4.345 7.572 ( 0.000 3.656 12.066) 12.608 7.735 ( 0.000 -2.034 5.055) 5.449 7.821 ( -0.000 -7.088 -1.658) 7.279 7.858 ( 0.000 1.309 6.206) 6.342 7.955 ( -0.000 -5.108 7.206) 8.833 8.048 ( -0.000 -4.952 0.606) 4.989 8.113 ( -0.000 -2.100 2.959) 3.628 8.408 ( -0.000 -1.383 -0.003) 1.383 8.408 ( -0.000 -4.226 -5.364) 6.829 8.446 ( 0.000 0.675 3.360) 3.427 8.639 ( -0.000 -4.151 -0.635) 4.200 8.682 ( -0.000 0.761 -6.271) 6.317 8.695 ( -0.000 -3.387 2.744) 4.359 8.874 ( -0.000 -9.207 7.152) 11.658 8.882 ( 0.000 -0.452 2.528) 2.568 9.097 ( -0.000 -4.248 -10.667) 11.482 9.280 ( -0.000 -18.604 -5.085) 19.286 9.413 ( -0.000 9.199 -16.611) 18.988 9.673 ( -0.000 -5.483 -0.534) 5.509 9.838 ( -0.000 -1.147 -7.175) 7.266 9.853 ( 0.000 4.502 11.950) 12.770 10.382 ( 0.000 2.090 12.658) 12.830 10.423 ( 0.000 -1.789 8.040) 8.236 10.773 ( -0.000 6.604 -18.466) 19.611 11.435 ( 0.000 2.898 12.494) 12.826 11.700 ( -0.000 -7.679 2.883) 8.202 ======================= Grid point 107 (43/125) ======================= q-point: ( 0.44 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( -16.158 17.951 22.753) 33.182 1.791 ( -12.824 20.786 28.468) 37.509 2.477 ( -7.065 35.321 21.418) 41.907 2.699 ( -8.710 17.915 -19.065) 27.573 2.723 ( -7.530 18.214 -24.118) 31.147 3.484 ( 3.203 -5.594 1.150) 6.548 3.659 ( -6.475 -1.245 0.149) 6.596 4.061 ( -0.066 -1.436 6.530) 6.687 4.090 ( -1.381 1.975 -6.287) 6.733 4.148 ( -3.594 -3.787 -1.777) 5.515 4.357 ( 4.517 -7.403 -1.041) 8.734 4.472 ( 4.361 -1.976 -0.699) 4.839 4.583 ( 0.241 7.875 -1.864) 8.096 4.762 ( -0.226 5.576 -0.480) 5.601 4.856 ( 3.338 2.741 2.305) 4.896 4.912 ( -0.365 -1.680 2.675) 3.180 5.058 ( -3.963 0.120 1.060) 4.104 5.341 ( 2.471 -6.788 -14.669) 16.351 5.592 ( 5.192 -3.497 2.115) 6.607 5.720 ( 1.500 -1.011 -1.126) 2.131 5.860 ( 0.883 -14.864 -2.210) 15.053 5.894 ( 2.538 -14.318 1.155) 14.587 6.129 ( -2.661 -2.171 4.269) 5.479 6.207 ( -3.254 2.691 1.615) 4.521 6.721 ( -2.734 -1.305 -1.144) 3.238 6.745 ( -5.438 -3.286 0.360) 6.364 6.795 ( -0.381 -1.950 0.429) 2.033 6.898 ( 0.909 2.800 -1.063) 3.130 7.014 ( 0.553 -1.589 -0.337) 1.716 7.031 ( 1.497 -0.008 0.723) 1.662 7.147 ( -3.192 5.378 -1.356) 6.399 7.172 ( -0.521 6.952 0.013) 6.972 7.444 ( 0.321 3.945 -3.256) 5.125 7.447 ( -1.332 3.808 0.991) 4.154 7.626 ( 0.766 0.478 4.089) 4.188 7.713 ( 2.419 -4.946 0.287) 5.513 7.746 ( 3.851 -2.308 2.962) 5.379 7.807 ( 5.273 -2.065 2.390) 6.146 7.946 ( 1.571 3.114 8.223) 8.933 8.028 ( -0.800 -4.448 3.780) 5.892 8.167 ( -9.486 -5.015 2.588) 11.038 8.328 ( 5.716 2.346 3.373) 7.040 8.389 ( -4.011 -3.098 -4.807) 6.985 8.511 ( -0.835 -2.148 1.963) 3.027 8.599 ( -3.011 -5.849 -0.624) 6.608 8.703 ( -4.406 -4.834 -2.212) 6.904 8.739 ( -8.262 -0.245 -2.132) 8.536 8.817 ( -1.649 -7.543 3.183) 8.352 8.879 ( 0.381 -2.238 1.489) 2.715 8.965 ( 3.161 -8.556 0.176) 9.123 9.083 ( -2.158 -7.649 -2.432) 8.311 9.442 ( -2.817 1.761 -17.632) 17.942 9.588 ( 1.665 -1.853 -1.301) 2.811 9.779 ( -0.994 -4.509 -7.223) 8.573 9.950 ( 4.399 6.528 14.475) 16.477 10.258 ( 11.670 -3.822 7.116) 14.193 10.596 ( -4.092 2.223 0.838) 4.732 10.723 ( 1.894 5.842 -8.200) 10.244 11.420 ( 11.588 0.904 9.025) 14.716 11.580 ( 4.978 -7.613 0.689) 9.122 ======================= Grid point 108 (44/125) ======================= q-point: ( 0.56 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( -16.885 14.206 14.632) 26.477 2.352 ( -16.781 16.371 21.657) 31.916 2.729 ( -4.656 9.071 -5.767) 11.714 2.906 ( -7.176 16.814 -21.013) 27.852 3.185 ( -11.301 16.249 -3.408) 20.084 3.460 ( -5.482 1.254 12.944) 14.113 3.748 ( -8.882 -2.554 -2.896) 9.685 4.048 ( 0.950 -4.359 1.212) 4.623 4.068 ( 3.460 -4.081 -8.456) 10.007 4.156 ( -1.598 -0.681 1.678) 2.415 4.256 ( 0.361 2.274 -1.177) 2.586 4.398 ( -0.245 -6.141 6.003) 8.591 4.631 ( 2.536 7.279 -3.310) 8.389 4.797 ( 3.467 4.034 -0.183) 5.322 4.863 ( 4.761 9.294 2.622) 10.767 4.911 ( -4.515 -4.896 -0.983) 6.732 5.118 ( 3.595 -0.717 5.981) 7.015 5.199 ( -3.659 -3.807 -7.902) 9.504 5.449 ( 5.432 -9.600 -0.745) 11.055 5.622 ( 2.455 -7.006 -0.356) 7.432 5.648 ( 2.682 -18.281 -3.712) 18.846 5.760 ( -0.158 -6.700 1.029) 6.780 6.164 ( -0.973 0.407 2.972) 3.154 6.266 ( -0.720 2.826 -0.804) 3.025 6.733 ( -1.157 -0.896 -0.516) 1.552 6.751 ( -3.394 -5.816 -0.664) 6.767 6.827 ( -2.913 -1.795 0.897) 3.538 6.918 ( -0.431 4.041 -1.047) 4.196 7.003 ( -0.523 0.147 0.125) 0.557 7.020 ( 1.157 1.680 0.233) 2.053 7.223 ( 1.457 3.819 0.244) 4.095 7.256 ( -2.482 3.774 -0.715) 4.573 7.449 ( 0.066 1.166 -0.480) 1.263 7.529 ( -3.743 2.204 1.515) 4.601 7.595 ( 0.121 -4.653 -3.010) 5.544 7.640 ( 3.784 0.727 1.079) 4.002 7.693 ( 2.535 3.743 -0.250) 4.528 7.750 ( 4.194 1.246 2.941) 5.272 7.962 ( 3.073 -1.830 8.011) 8.773 8.060 ( -3.282 0.295 2.829) 4.343 8.236 ( -3.044 -1.871 -0.833) 3.668 8.322 ( 3.418 0.345 10.267) 10.826 8.408 ( -3.906 -0.543 -6.137) 7.295 8.465 ( 1.432 -3.708 -0.661) 4.029 8.607 ( -4.841 -7.721 4.191) 10.031 8.617 ( -0.494 -5.866 -5.555) 8.094 8.727 ( -4.034 -12.066 -1.188) 12.778 8.830 ( -3.797 1.783 -0.108) 4.196 8.894 ( -3.002 -3.240 0.136) 4.419 9.024 ( -12.068 -0.329 1.483) 12.164 9.114 ( -5.490 -0.962 3.137) 6.396 9.384 ( -2.315 -2.265 -5.197) 6.124 9.583 ( 0.576 0.386 -2.155) 2.263 9.696 ( -0.234 -3.442 -8.275) 8.965 9.999 ( 4.721 2.474 9.629) 11.005 10.064 ( 13.007 -0.362 5.494) 14.124 10.477 ( 13.479 5.852 -14.758) 20.826 10.855 ( -7.217 0.514 8.321) 11.027 11.227 ( 16.985 -1.614 6.680) 18.323 11.403 ( 6.363 -7.154 -4.250) 10.475 ======================= Grid point 109 (45/125) ======================= q-point: ( 0.67 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.462 ( -10.516 9.089 6.631) 15.400 2.807 ( -0.672 8.004 2.438) 8.394 2.861 ( -11.352 3.192 18.079) 21.585 3.030 ( 0.578 13.993 -14.472) 20.139 3.307 ( -13.145 -2.564 -15.122) 20.200 3.637 ( 0.248 -8.240 8.888) 12.122 3.853 ( -10.018 -6.052 -0.231) 11.706 3.875 ( 2.437 -4.080 -4.965) 6.873 4.019 ( -0.369 0.894 -2.075) 2.289 4.168 ( -1.182 -2.400 -0.517) 2.725 4.319 ( -1.643 -1.151 5.658) 6.003 4.406 ( -5.451 -5.324 3.389) 8.339 4.643 ( 3.820 6.566 -4.978) 9.083 4.729 ( 8.976 1.639 1.788) 9.298 4.893 ( 4.220 -0.304 2.107) 4.726 4.944 ( 0.387 11.711 -1.254) 11.784 5.067 ( -0.570 -4.927 4.257) 6.536 5.235 ( -1.359 -3.684 -0.209) 3.932 5.280 ( -5.076 -9.986 -1.552) 11.309 5.399 ( 1.934 -12.210 -5.054) 13.355 5.560 ( 0.336 0.062 -0.982) 1.040 5.706 ( 0.954 -3.581 1.044) 3.850 6.206 ( 0.147 5.049 1.062) 5.161 6.299 ( 0.368 3.982 -0.534) 4.034 6.720 ( -1.097 -3.638 0.524) 3.836 6.743 ( -1.235 -3.217 -0.861) 3.552 6.836 ( -2.751 -2.512 -0.872) 3.827 6.983 ( -1.507 2.536 1.184) 3.179 7.028 ( -0.263 1.084 -0.563) 1.250 7.048 ( -0.459 7.370 0.895) 7.438 7.226 ( 3.625 0.400 -1.584) 3.976 7.238 ( 2.154 0.681 0.718) 2.371 7.450 ( 1.007 -3.889 0.243) 4.025 7.566 ( 4.635 -0.226 -0.271) 4.648 7.589 ( -6.556 1.343 -5.110) 8.420 7.659 ( -4.511 2.797 1.662) 5.562 7.718 ( 2.040 1.996 3.397) 4.436 7.733 ( 2.574 6.510 1.138) 7.092 7.936 ( 2.353 -1.566 6.957) 7.509 8.085 ( 2.866 1.021 -2.631) 4.022 8.264 ( 3.287 0.757 6.936) 7.713 8.311 ( -4.169 -0.011 -1.801) 4.541 8.376 ( 0.597 -6.115 0.398) 6.157 8.426 ( -0.070 0.611 1.572) 1.688 8.577 ( -1.188 1.063 -9.509) 9.642 8.654 ( -6.436 -5.183 5.297) 9.816 8.734 ( -8.966 -4.697 0.214) 10.125 8.892 ( -3.571 -1.387 -0.930) 3.942 8.920 ( -4.567 -0.418 -3.914) 6.029 9.156 ( -9.892 -8.707 0.728) 13.198 9.229 ( -6.066 2.852 4.048) 7.831 9.432 ( -4.691 -5.961 1.137) 7.670 9.525 ( 2.133 0.324 -1.162) 2.450 9.673 ( -1.468 1.064 -1.368) 2.271 9.882 ( 6.953 -0.636 0.071) 6.982 10.030 ( 6.814 6.998 5.103) 11.020 10.245 ( 15.037 6.210 -10.760) 19.505 10.896 ( 10.601 -1.745 2.953) 11.142 11.031 ( 6.399 -4.089 8.686) 11.538 11.230 ( -0.781 -6.704 -6.096) 9.094 ======================= Grid point 110 (46/125) ======================= q-point: (-0.22 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.588 ( 15.970 1.612 2.854) 16.303 2.733 ( -7.447 -6.803 0.422) 10.095 2.975 ( 18.150 3.258 -3.574) 18.784 3.117 ( -2.452 -2.113 9.480) 10.018 3.364 ( -9.434 -9.111 -10.193) 16.611 3.564 ( -6.507 -4.168 1.845) 7.945 3.795 ( 3.394 -4.525 0.623) 5.691 3.876 ( 0.725 -12.884 -2.353) 13.118 4.061 ( -14.123 0.012 -0.286) 14.126 4.188 ( -4.705 -2.738 0.275) 5.451 4.265 ( 2.555 -6.545 0.284) 7.032 4.435 ( 2.090 -2.223 -0.794) 3.153 4.587 ( 4.746 1.433 -0.766) 5.017 4.640 ( 5.400 5.503 1.467) 7.848 4.822 ( 6.388 0.497 0.858) 6.465 4.994 ( 2.041 2.057 2.257) 3.673 5.106 ( 0.356 -7.849 1.668) 8.032 5.175 ( -7.772 3.424 -2.616) 8.887 5.323 ( 0.850 2.142 -0.227) 2.316 5.390 ( -12.423 -2.784 -1.500) 12.819 5.617 ( -5.078 4.437 -0.240) 6.748 5.666 ( 0.326 -2.630 0.537) 2.704 6.285 ( 0.957 10.242 0.161) 10.288 6.335 ( 1.421 4.857 0.163) 5.064 6.698 ( -0.404 -3.385 0.567) 3.456 6.709 ( -1.241 -4.078 -1.268) 4.447 6.866 ( -3.785 -0.533 0.104) 3.824 7.005 ( 0.121 -0.542 0.859) 1.023 7.048 ( -0.101 2.355 -1.007) 2.563 7.126 ( 5.082 -1.495 -0.883) 5.371 7.184 ( -0.875 13.219 0.696) 13.266 7.258 ( -0.699 0.536 2.123) 2.299 7.374 ( -0.259 -6.244 -1.027) 6.333 7.482 ( 3.894 -0.743 -2.071) 4.473 7.665 ( 3.455 1.045 2.654) 4.480 7.671 ( -3.935 0.233 -1.863) 4.360 7.784 ( 2.449 6.075 2.434) 6.988 7.836 ( -3.804 7.100 -0.177) 8.057 7.898 ( 6.666 -0.787 4.036) 7.832 8.011 ( 2.392 2.468 -3.816) 5.135 8.205 ( 4.614 0.063 0.915) 4.704 8.297 ( 1.325 -3.765 0.943) 4.101 8.401 ( -3.861 -3.818 0.482) 5.451 8.502 ( -0.832 6.593 4.432) 7.988 8.617 ( -5.818 8.362 -8.421) 13.217 8.740 ( -6.138 -1.668 2.891) 6.987 8.831 ( -10.132 -5.220 1.015) 11.443 8.926 ( -2.775 0.137 -1.277) 3.058 8.985 ( -7.334 0.011 -1.932) 7.584 9.167 ( -7.362 -11.017 -0.797) 13.275 9.311 ( 2.322 -11.051 0.270) 11.296 9.400 ( -4.201 7.017 2.912) 8.681 9.504 ( 3.585 0.047 -2.014) 4.112 9.700 ( 6.212 2.809 0.943) 6.883 9.842 ( 6.939 9.528 0.973) 11.827 9.991 ( 0.721 0.824 -1.799) 2.106 10.171 ( -3.179 4.606 -1.846) 5.893 10.690 ( 11.205 -4.281 5.633) 13.252 10.860 ( 8.383 -6.365 -4.416) 11.415 11.272 ( -10.153 -4.728 1.575) 11.310 ======================= Grid point 111 (47/125) ======================= q-point: (-0.11 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( 23.287 -15.306 0.000) 27.867 2.537 ( 31.522 -5.461 0.000) 31.992 2.788 ( 5.098 -0.493 0.000) 5.122 2.972 ( 8.498 -16.966 0.000) 18.976 3.308 ( -1.844 -14.540 0.000) 14.656 3.571 ( -2.734 -7.203 -0.000) 7.704 3.625 ( 5.121 -6.991 0.000) 8.666 3.867 ( -3.276 4.677 -0.000) 5.711 4.225 ( -5.503 -5.829 -0.000) 8.016 4.242 ( 2.013 3.079 0.000) 3.679 4.262 ( -3.214 4.846 -0.000) 5.815 4.359 ( -8.018 -1.549 -0.000) 8.166 4.560 ( 3.690 3.735 0.000) 5.251 4.669 ( 0.742 3.146 -0.000) 3.232 4.743 ( 4.843 1.570 0.000) 5.091 4.991 ( 1.525 -8.950 0.000) 9.079 5.032 ( -2.513 2.394 -0.000) 3.471 5.305 ( -8.731 -1.448 -0.000) 8.850 5.359 ( -1.338 2.979 -0.000) 3.266 5.566 ( -7.060 5.468 -0.000) 8.930 5.636 ( -0.692 -3.402 0.000) 3.472 5.772 ( -9.977 1.119 -0.000) 10.040 6.348 ( 3.406 4.147 0.000) 5.367 6.388 ( 1.909 11.954 -0.000) 12.106 6.675 ( -1.603 -2.633 -0.000) 3.083 6.695 ( -1.953 -2.942 -0.000) 3.531 6.938 ( -4.113 2.169 -0.000) 4.650 6.987 ( 1.416 -1.040 0.000) 1.757 7.042 ( 1.716 -2.763 0.000) 3.252 7.062 ( 1.492 2.541 0.000) 2.947 7.218 ( 2.586 -4.965 0.000) 5.598 7.335 ( 2.328 13.160 -0.000) 13.364 7.397 ( -7.192 -0.556 -0.000) 7.214 7.426 ( 2.221 0.080 0.000) 2.223 7.622 ( 17.012 -5.078 0.000) 17.754 7.641 ( 0.998 2.236 0.000) 2.449 7.732 ( -3.461 0.490 -0.000) 3.495 7.815 ( 3.987 5.823 0.000) 7.057 7.977 ( 0.255 2.214 -0.000) 2.229 8.037 ( -0.526 0.955 -0.000) 1.090 8.140 ( 5.472 3.525 0.000) 6.509 8.316 ( -4.097 6.380 -0.000) 7.582 8.430 ( -3.736 -0.881 -0.000) 3.838 8.564 ( 0.994 4.306 -0.000) 4.419 8.753 ( -3.204 4.902 -0.000) 5.856 8.809 ( -2.744 -0.665 -0.000) 2.823 8.944 ( -7.222 -2.658 -0.000) 7.696 8.945 ( 2.347 4.006 0.000) 4.643 9.118 ( -4.026 -12.605 0.000) 13.232 9.149 ( -13.541 -0.047 -0.000) 13.541 9.220 ( -2.813 -3.876 -0.000) 4.789 9.396 ( 5.128 -2.591 0.000) 5.745 9.536 ( 12.283 4.144 0.000) 12.963 9.584 ( 0.529 12.530 -0.000) 12.541 9.814 ( 9.397 8.845 0.000) 12.905 10.081 ( -12.316 -6.683 -0.000) 14.013 10.337 ( -14.081 0.031 -0.000) 14.081 10.549 ( 3.571 -2.839 0.000) 4.562 10.671 ( 5.280 -5.369 0.000) 7.530 11.387 ( -10.292 -4.378 -0.000) 11.185 ======================= Grid point 114 (48/125) ======================= q-point: ( 0.22 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( 26.110 -0.000 16.248) 30.753 1.472 ( 31.169 -0.000 16.508) 35.271 2.116 ( 39.852 -0.000 38.370) 55.321 2.220 ( 8.619 0.000 -15.702) 17.912 2.883 ( 5.309 0.000 -31.560) 32.003 3.634 ( -1.673 -0.000 8.168) 8.337 3.677 ( 4.483 -0.000 2.186) 4.987 3.940 ( -0.292 -0.000 8.860) 8.865 4.276 ( -3.970 -0.000 0.050) 3.970 4.301 ( 2.126 0.000 -11.500) 11.695 4.311 ( 9.762 0.000 -15.855) 18.619 4.483 ( -1.455 -0.000 8.427) 8.551 4.514 ( -6.965 -0.000 2.769) 7.496 4.585 ( -0.215 0.000 -1.316) 1.333 4.716 ( -5.204 0.000 -1.528) 5.424 4.897 ( 1.267 -0.000 5.675) 5.814 5.181 ( 0.266 0.000 -3.750) 3.759 5.485 ( -4.749 0.000 -14.101) 14.880 5.536 ( -5.627 -0.000 5.571) 7.918 5.665 ( -7.775 -0.000 1.939) 8.013 5.789 ( -3.449 -0.000 6.505) 7.363 5.988 ( -2.556 0.000 -1.831) 3.145 6.323 ( 3.665 -0.000 2.220) 4.285 6.452 ( 3.826 0.000 -1.975) 4.305 6.724 ( -0.733 -0.000 -0.012) 0.733 6.760 ( -3.348 -0.000 0.848) 3.454 6.939 ( -0.607 0.000 -3.379) 3.433 6.939 ( 11.199 0.000 -0.219) 11.201 7.002 ( 1.140 -0.000 1.650) 2.006 7.067 ( -1.178 -0.000 2.696) 2.942 7.075 ( -3.283 -0.000 -0.072) 3.284 7.279 ( 4.180 -0.000 2.404) 4.821 7.344 ( 9.474 -0.000 4.027) 10.295 7.526 ( -0.361 -0.000 10.307) 10.313 7.539 ( 8.180 0.000 -8.584) 11.858 7.633 ( -1.860 -0.000 1.202) 2.215 7.761 ( -3.259 0.000 -4.045) 5.195 7.798 ( -11.016 -0.000 4.954) 12.078 7.886 ( -3.519 -0.000 2.507) 4.320 7.949 ( 1.049 -0.000 2.703) 2.899 8.347 ( -2.745 -0.000 0.379) 2.772 8.378 ( 9.456 0.000 1.447) 9.566 8.569 ( 0.669 -0.000 2.608) 2.692 8.626 ( -2.813 0.000 -1.266) 3.085 8.729 ( 6.909 0.000 -4.580) 8.289 8.857 ( 2.760 0.000 0.204) 2.768 8.868 ( 2.577 -0.000 3.276) 4.168 8.957 ( 12.733 0.000 0.835) 12.761 9.065 ( 2.967 -0.000 7.597) 8.156 9.156 ( 4.885 0.000 -2.123) 5.327 9.350 ( -4.370 -0.000 5.092) 6.710 9.385 ( 0.387 0.000 -14.855) 14.860 9.572 ( -10.101 0.000 -2.885) 10.505 9.603 ( -8.851 0.000 -1.832) 9.039 9.729 ( -3.259 0.000 -1.466) 3.574 10.349 ( -8.406 -0.000 -0.459) 8.419 10.541 ( -2.894 0.000 -4.137) 5.049 10.563 ( 4.028 -0.000 6.290) 7.469 11.036 ( -20.494 -0.000 10.119) 22.856 11.479 ( -10.230 0.000 -8.455) 13.272 ======================= Grid point 116 (49/125) ======================= q-point: ( 0.44 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( 0.000 13.780 33.073) 35.829 1.559 ( 0.000 31.619 24.893) 40.242 2.205 ( 0.000 26.482 46.341) 53.374 2.258 ( 0.000 28.787 -21.004) 35.636 2.416 ( -0.000 4.837 -31.559) 31.928 3.530 ( -0.000 -2.234 -18.749) 18.882 3.629 ( -0.000 -3.151 3.964) 5.064 3.874 ( -0.000 9.499 -19.621) 21.800 4.167 ( -0.000 -2.816 0.639) 2.888 4.178 ( 0.000 -4.106 9.342) 10.204 4.467 ( 0.000 5.087 -2.828) 5.820 4.487 ( -0.000 -7.764 -1.146) 7.848 4.585 ( 0.000 -4.332 13.909) 14.567 4.727 ( 0.000 5.820 3.795) 6.948 4.876 ( 0.000 5.372 1.046) 5.473 4.903 ( 0.000 1.814 4.974) 5.294 5.026 ( -0.000 -4.395 -4.731) 6.457 5.328 ( -0.000 -4.182 -21.186) 21.594 5.697 ( 0.000 1.162 -0.214) 1.181 5.703 ( -0.000 -4.509 1.838) 4.869 6.035 ( -0.000 -9.770 1.093) 9.831 6.059 ( -0.000 -11.771 -0.316) 11.776 6.119 ( 0.000 5.211 4.058) 6.605 6.154 ( -0.000 -2.300 2.231) 3.204 6.696 ( 0.000 0.280 1.466) 1.493 6.736 ( -0.000 -3.621 -0.784) 3.705 6.820 ( -0.000 -2.402 0.390) 2.433 6.870 ( 0.000 1.950 -1.582) 2.511 7.043 ( -0.000 -0.724 0.528) 0.896 7.059 ( -0.000 -0.806 -0.325) 0.869 7.064 ( 0.000 2.661 -0.048) 2.662 7.082 ( 0.000 5.156 0.647) 5.197 7.370 ( 0.000 3.085 -3.723) 4.835 7.381 ( 0.000 6.996 -2.617) 7.469 7.694 ( 0.000 -3.561 8.954) 9.636 7.804 ( -0.000 -7.071 -1.792) 7.295 7.809 ( 0.000 0.748 10.705) 10.731 7.932 ( 0.000 0.222 8.165) 8.168 8.038 ( 0.000 -4.497 8.643) 9.743 8.041 ( -0.000 -6.238 -1.932) 6.530 8.141 ( 0.000 -1.156 2.025) 2.332 8.294 ( -0.000 -2.714 -12.302) 12.598 8.406 ( 0.000 2.347 -0.014) 2.347 8.506 ( 0.000 1.538 3.095) 3.457 8.610 ( -0.000 -0.197 -6.353) 6.356 8.631 ( -0.000 -2.870 -1.052) 3.057 8.734 ( -0.000 -5.982 4.983) 7.785 8.914 ( -0.000 -9.206 -1.658) 9.354 8.921 ( 0.000 0.762 5.386) 5.439 9.028 ( -0.000 -4.307 -0.250) 4.314 9.220 ( -0.000 -15.542 -6.707) 16.927 9.252 ( -0.000 5.694 -14.892) 15.943 9.680 ( -0.000 -6.090 1.404) 6.250 9.774 ( -0.000 -3.552 -5.324) 6.400 9.995 ( 0.000 6.197 15.809) 16.981 10.479 ( -0.000 -0.922 0.244) 0.954 10.486 ( 0.000 1.781 7.859) 8.058 10.596 ( -0.000 7.063 -13.977) 15.660 11.549 ( 0.000 1.564 9.842) 9.966 11.712 ( -0.000 -4.876 -0.550) 4.907 ======================= Grid point 117 (50/125) ======================= q-point: ( 0.56 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( -12.432 13.324 25.618) 31.438 2.054 ( -9.022 23.315 23.077) 34.022 2.412 ( -10.874 9.112 -26.956) 30.461 2.489 ( -3.620 26.415 -18.511) 32.458 2.820 ( -9.271 27.546 31.912) 43.164 3.433 ( -0.652 1.937 -14.392) 14.536 3.661 ( -5.324 -2.880 2.382) 6.505 3.892 ( -3.583 7.721 -20.152) 21.876 4.135 ( 1.743 -2.948 4.949) 6.019 4.190 ( -1.884 -4.200 5.506) 7.177 4.333 ( 6.425 -3.520 -2.813) 7.847 4.489 ( 1.793 -1.786 -0.963) 2.707 4.621 ( -1.202 -3.018 9.765) 10.291 4.772 ( 1.524 4.303 1.528) 4.814 4.889 ( 4.067 4.332 4.743) 7.603 4.921 ( -0.990 -4.324 -0.199) 4.440 5.079 ( -5.335 4.938 1.951) 7.527 5.167 ( 1.363 -3.359 -18.168) 18.526 5.606 ( 5.665 -3.086 0.895) 6.513 5.721 ( -0.522 -2.377 0.636) 2.515 5.842 ( 2.854 -15.648 -1.345) 15.963 5.903 ( 1.799 -14.825 0.621) 14.947 6.167 ( -2.358 -1.601 2.958) 4.108 6.218 ( -2.755 0.878 0.620) 2.958 6.710 ( -1.909 -1.267 -0.781) 2.420 6.748 ( -5.248 -4.332 0.146) 6.807 6.810 ( -0.825 -0.527 2.458) 2.646 6.878 ( -0.029 1.779 -2.893) 3.396 7.010 ( 1.316 -1.014 -0.247) 1.679 7.038 ( 2.780 1.302 0.543) 3.117 7.137 ( -4.336 4.805 -0.567) 6.497 7.178 ( -1.323 5.827 0.736) 6.020 7.406 ( 0.089 4.708 -2.969) 5.567 7.449 ( -2.513 4.390 -0.547) 5.088 7.652 ( 1.393 -4.215 1.056) 4.563 7.720 ( 0.717 -5.669 0.789) 5.768 7.768 ( 7.357 -4.625 0.940) 8.740 7.844 ( 8.163 1.360 4.394) 9.369 8.034 ( -0.516 1.671 7.723) 7.918 8.070 ( -1.058 -4.661 4.534) 6.588 8.187 ( -6.837 -5.332 0.874) 8.714 8.284 ( -6.039 0.614 -6.323) 8.765 8.392 ( 3.049 4.416 0.035) 5.366 8.529 ( 1.540 -4.521 2.308) 5.305 8.601 ( -1.518 -1.935 0.339) 2.483 8.673 ( -7.334 -7.813 -2.496) 11.003 8.741 ( -6.651 -1.314 2.109) 7.100 8.823 ( -3.157 -4.478 -3.030) 6.260 8.892 ( 3.956 -7.813 2.514) 9.111 8.989 ( 0.981 -6.254 2.644) 6.860 9.069 ( -4.729 -4.154 1.428) 6.454 9.275 ( -5.261 2.225 -14.937) 15.992 9.575 ( 3.191 -2.444 -1.098) 4.166 9.722 ( -1.608 -6.620 -3.685) 7.745 10.110 ( 5.346 6.507 16.729) 18.729 10.314 ( 11.898 -4.184 3.469) 13.081 10.483 ( 7.397 7.178 -16.168) 19.174 10.736 ( -10.490 2.254 4.112) 11.490 11.497 ( 11.671 -1.175 5.976) 13.164 11.580 ( 8.317 -5.114 -0.786) 9.795 ======================= Grid point 118 (51/125) ======================= q-point: ( 0.67 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( -13.748 9.042 9.726) 19.115 2.544 ( -13.569 16.704 13.791) 25.560 2.655 ( -12.375 16.095 -5.479) 21.029 2.729 ( -5.805 19.061 -13.696) 24.179 3.159 ( -4.192 -2.000 -1.389) 4.848 3.602 ( -9.339 15.422 11.926) 21.617 3.726 ( -8.754 -5.687 0.188) 10.441 3.911 ( -0.660 2.611 -14.905) 15.147 4.068 ( 5.872 -3.819 0.085) 7.005 4.163 ( -2.201 -5.407 0.211) 5.842 4.298 ( -0.863 3.899 5.853) 7.085 4.419 ( 0.869 -3.083 -1.779) 3.664 4.613 ( 1.671 0.034 -0.265) 1.693 4.799 ( 4.033 5.676 0.438) 6.976 4.876 ( 3.254 1.649 -0.082) 3.649 4.947 ( -0.925 -0.070 7.279) 7.338 5.064 ( -4.029 -1.990 -10.439) 11.365 5.208 ( -1.270 5.017 3.745) 6.388 5.436 ( 6.822 -12.358 -1.248) 14.171 5.613 ( 4.120 -14.468 -1.128) 15.086 5.629 ( 1.485 -12.071 -0.259) 12.165 5.769 ( -0.230 -6.737 0.541) 6.763 6.187 ( -0.643 -0.394 1.398) 1.589 6.258 ( -0.897 2.158 -0.575) 2.407 6.729 ( -2.148 -0.836 -0.149) 2.310 6.746 ( -2.990 -5.871 -0.240) 6.593 6.838 ( -1.115 -2.694 0.892) 3.049 6.907 ( -1.623 5.409 -0.793) 5.703 7.000 ( -0.648 0.537 -0.313) 0.898 7.024 ( 1.970 2.643 0.270) 3.308 7.230 ( 1.037 3.109 0.833) 3.382 7.249 ( -1.423 3.548 -0.602) 3.870 7.437 ( -2.837 2.119 -1.044) 3.691 7.526 ( -1.468 1.402 -1.065) 2.292 7.578 ( 0.225 -4.330 -0.509) 4.366 7.652 ( 3.773 -1.729 0.783) 4.223 7.696 ( 0.943 3.938 0.391) 4.068 7.774 ( 5.369 2.440 1.399) 6.061 8.035 ( 2.098 -3.618 4.818) 6.380 8.094 ( -0.206 0.631 3.245) 3.313 8.207 ( -4.912 -2.530 -3.691) 6.645 8.354 ( -4.134 -0.116 -3.075) 5.153 8.406 ( 6.711 -0.565 4.363) 8.024 8.467 ( -2.284 -0.521 1.135) 2.603 8.567 ( 0.694 -7.528 -3.439) 8.306 8.644 ( -4.150 -3.322 2.304) 5.794 8.718 ( -4.499 -14.775 -0.548) 15.454 8.830 ( -2.808 1.854 -0.000) 3.365 8.894 ( -1.582 -3.764 -0.113) 4.084 9.024 ( -13.108 -1.664 -0.588) 13.226 9.157 ( -4.774 -1.261 3.760) 6.206 9.334 ( -8.098 1.643 -3.772) 9.083 9.567 ( -2.122 1.702 -0.846) 2.849 9.628 ( 1.439 -6.464 -3.764) 7.617 10.064 ( 9.061 -8.000 2.458) 12.335 10.165 ( 12.302 8.036 13.468) 19.932 10.323 ( 13.048 7.818 -14.998) 21.362 10.914 ( -7.409 0.538 3.050) 8.031 11.287 ( 13.528 -3.815 4.671) 14.812 11.359 ( 11.736 -4.846 -3.950) 13.297 ======================= Grid point 119 (52/125) ======================= q-point: ( 0.78 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.499 ( -10.741 6.688 -0.000) 12.653 2.836 ( 6.243 6.277 0.000) 8.853 2.932 ( -4.955 16.262 -0.000) 17.000 2.998 ( -10.824 10.334 -0.000) 14.965 3.188 ( -14.129 -7.607 -0.000) 16.047 3.700 ( 3.213 -13.668 0.000) 14.041 3.840 ( 1.566 -1.752 0.000) 2.350 3.850 ( -12.114 -4.991 -0.000) 13.102 4.002 ( 2.101 3.693 0.000) 4.248 4.170 ( -3.885 -4.359 -0.000) 5.839 4.357 ( -1.919 -4.753 -0.000) 5.126 4.418 ( -3.315 -0.255 -0.000) 3.324 4.613 ( 2.686 4.767 0.000) 5.472 4.738 ( 9.081 1.979 0.000) 9.294 4.911 ( 5.001 0.279 0.000) 5.008 4.928 ( -1.067 12.448 -0.000) 12.494 5.095 ( -0.409 -7.129 0.000) 7.141 5.237 ( 2.735 -2.648 0.000) 3.807 5.266 ( -10.351 -9.973 -0.000) 14.374 5.371 ( 3.235 -10.871 0.000) 11.342 5.555 ( 0.277 -0.745 0.000) 0.795 5.711 ( 1.047 -3.414 0.000) 3.571 6.212 ( 0.252 4.634 -0.000) 4.641 6.296 ( 0.067 4.009 -0.000) 4.010 6.724 ( -2.057 -4.957 -0.000) 5.367 6.737 ( -0.399 -2.276 0.000) 2.310 6.831 ( -2.567 -2.337 -0.000) 3.471 6.992 ( -0.855 3.697 -0.000) 3.794 7.022 ( -0.766 1.176 -0.000) 1.403 7.053 ( -0.294 7.084 -0.000) 7.090 7.217 ( 5.311 -0.040 0.000) 5.311 7.243 ( -0.017 1.157 -0.000) 1.157 7.453 ( 2.088 -5.116 0.000) 5.526 7.532 ( 0.814 3.685 -0.000) 3.774 7.592 ( -2.798 -2.840 -0.000) 3.987 7.662 ( -4.505 6.915 -0.000) 8.253 7.728 ( 4.432 1.370 0.000) 4.639 7.751 ( -0.465 4.585 -0.000) 4.608 7.995 ( 1.084 -1.150 0.000) 1.580 8.051 ( 5.646 -0.660 0.000) 5.685 8.288 ( 4.255 -1.767 0.000) 4.607 8.315 ( -9.518 0.198 -0.000) 9.520 8.372 ( 0.833 -2.556 0.000) 2.688 8.476 ( 2.618 1.764 0.000) 3.157 8.488 ( -0.455 -1.328 -0.000) 1.404 8.690 ( -4.251 -1.802 -0.000) 4.617 8.733 ( -11.437 -7.155 -0.000) 13.491 8.886 ( -2.419 -1.459 -0.000) 2.825 8.896 ( -4.377 -0.338 -0.000) 4.390 9.158 ( -10.671 -9.426 -0.000) 14.238 9.252 ( -6.144 3.579 -0.000) 7.111 9.439 ( -3.734 -6.801 -0.000) 7.758 9.518 ( 1.703 -0.548 0.000) 1.789 9.661 ( -5.257 2.075 -0.000) 5.652 9.882 ( 6.388 -1.026 0.000) 6.470 10.084 ( 13.610 5.002 0.000) 14.500 10.165 ( 11.651 9.147 0.000) 14.813 10.912 ( 9.449 -2.095 0.000) 9.678 11.086 ( 13.243 -5.194 0.000) 14.225 11.188 ( -6.046 -5.085 -0.000) 7.900 ======================= Grid point 124 (53/125) ======================= q-point: ( 0.22 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 23.183 -16.160 11.867) 30.649 2.020 ( 26.418 -7.494 8.615) 28.780 2.394 ( 12.156 -16.013 -14.924) 25.038 2.776 ( 4.412 -0.053 -16.405) 16.988 2.906 ( 29.152 -6.619 23.063) 37.757 3.675 ( 2.258 -0.006 9.048) 9.326 3.756 ( 2.691 -1.162 5.582) 6.305 4.000 ( -2.030 -0.291 3.513) 4.068 4.201 ( -0.543 2.721 -1.706) 3.257 4.241 ( 0.881 0.448 -13.579) 13.615 4.325 ( 3.084 -0.151 -14.391) 14.718 4.392 ( -7.150 2.808 3.862) 8.598 4.572 ( -0.010 -0.384 -0.402) 0.556 4.609 ( 1.229 -1.791 8.132) 8.417 4.633 ( -2.183 -3.030 -1.432) 4.000 4.886 ( -5.469 -0.744 0.204) 5.523 5.148 ( -1.100 2.027 -1.248) 2.623 5.380 ( -0.199 0.885 -7.763) 7.816 5.436 ( -8.053 2.145 2.947) 8.839 5.586 ( -7.515 -5.263 0.775) 9.207 5.760 ( -3.270 2.560 4.540) 6.153 5.918 ( -5.031 1.157 -1.235) 5.308 6.360 ( 2.522 3.753 1.928) 4.916 6.455 ( 2.466 5.750 -1.048) 6.343 6.717 ( -1.650 -0.468 1.235) 2.114 6.725 ( -2.138 -1.838 1.181) 3.057 6.916 ( -0.765 -0.241 -2.038) 2.190 6.988 ( -2.210 2.456 -1.849) 3.786 7.031 ( -0.287 -0.554 0.024) 0.624 7.057 ( 2.626 -1.305 -2.171) 3.649 7.129 ( 9.161 2.015 2.113) 9.615 7.355 ( 0.558 -3.034 6.235) 6.956 7.482 ( -0.802 0.531 3.089) 3.236 7.485 ( -8.284 0.633 -6.380) 10.475 7.537 ( 9.253 6.820 4.649) 12.399 7.642 ( 3.005 -0.594 0.725) 3.148 7.652 ( -1.954 4.284 -2.529) 5.344 7.832 ( -0.414 4.542 1.475) 4.794 7.861 ( 3.336 -8.066 1.579) 8.870 7.983 ( 1.416 -0.057 0.657) 1.562 8.284 ( -3.245 3.284 2.801) 5.400 8.443 ( -0.800 1.983 -0.837) 2.297 8.502 ( -4.582 7.035 -4.139) 9.360 8.576 ( 0.582 0.719 1.134) 1.464 8.776 ( -0.719 -0.069 0.258) 0.767 8.923 ( -0.825 -5.791 1.546) 6.050 8.941 ( 6.839 5.741 5.171) 10.318 9.067 ( -0.468 1.358 1.165) 1.850 9.096 ( -3.170 1.479 0.367) 3.517 9.237 ( 10.644 6.128 5.232) 13.350 9.298 ( 7.109 5.939 -0.782) 9.296 9.399 ( 3.094 1.465 -3.800) 5.115 9.436 ( -7.401 -4.357 0.937) 8.639 9.524 ( -5.083 -4.524 2.580) 7.277 9.687 ( 1.466 -3.952 -9.212) 10.131 10.118 ( -14.225 -1.801 -11.070) 18.115 10.457 ( 0.329 13.201 4.581) 13.977 10.728 ( 1.660 -10.009 8.574) 13.283 10.764 ( -21.350 -2.564 6.972) 22.606 11.292 ( -10.056 -4.759 -13.175) 17.244 ======================= Grid point 125 (54/125) ======================= q-point: ( 0.33 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( 21.057 -0.000 20.035) 29.066 1.676 ( 23.250 -0.000 22.914) 32.643 2.040 ( 10.175 0.000 -18.914) 21.477 2.540 ( 32.745 -0.000 43.777) 54.669 2.562 ( 7.855 0.000 -31.392) 32.360 3.696 ( 7.266 0.000 -0.753) 7.305 3.715 ( 0.020 -0.000 6.893) 6.893 3.832 ( 9.647 0.000 -26.266) 27.982 4.198 ( 0.005 0.000 -8.146) 8.146 4.200 ( -3.038 0.000 -4.630) 5.538 4.317 ( -3.666 -0.000 9.102) 9.813 4.551 ( -6.092 -0.000 4.181) 7.389 4.560 ( -1.602 0.000 -3.575) 3.917 4.636 ( 0.793 -0.000 17.838) 17.856 4.694 ( -4.662 0.000 -3.055) 5.574 4.940 ( -1.430 -0.000 2.586) 2.955 5.140 ( 1.852 0.000 -3.632) 4.077 5.323 ( -0.651 0.000 -16.820) 16.833 5.595 ( -6.201 -0.000 5.617) 8.366 5.679 ( -7.479 -0.000 0.577) 7.501 5.850 ( -4.306 -0.000 5.339) 6.859 5.965 ( -2.739 0.000 -2.645) 3.808 6.349 ( 3.925 -0.000 2.745) 4.790 6.430 ( 4.002 0.000 -2.292) 4.612 6.727 ( -0.357 -0.000 0.695) 0.781 6.763 ( -2.462 -0.000 -0.348) 2.486 6.911 ( 0.466 0.000 -1.845) 1.903 6.921 ( 5.782 0.000 -2.139) 6.165 7.035 ( 1.847 -0.000 3.539) 3.992 7.074 ( -3.144 -0.000 0.066) 3.145 7.102 ( 0.181 -0.000 4.107) 4.111 7.274 ( 6.892 0.000 -3.477) 7.719 7.378 ( 11.990 -0.000 2.424) 12.233 7.453 ( 8.277 0.000 -6.672) 10.631 7.625 ( -5.851 -0.000 6.819) 8.985 7.646 ( -6.294 -0.000 1.072) 6.385 7.748 ( -3.771 -0.000 2.987) 4.811 7.860 ( -7.331 -0.000 4.948) 8.845 7.916 ( -5.299 -0.000 3.867) 6.560 7.972 ( -0.418 -0.000 1.769) 1.818 8.340 ( -0.644 0.000 -1.370) 1.514 8.377 ( 7.292 0.000 -1.742) 7.497 8.588 ( -1.287 -0.000 0.705) 1.468 8.612 ( -2.784 0.000 -1.408) 3.120 8.710 ( 10.907 0.000 1.140) 10.966 8.839 ( 5.945 0.000 -3.653) 6.978 8.914 ( 5.162 -0.000 5.750) 7.727 8.962 ( 10.868 0.000 1.527) 10.975 9.130 ( 7.709 0.000 -3.761) 8.578 9.140 ( 0.393 -0.000 6.271) 6.284 9.241 ( 4.120 0.000 -11.868) 12.563 9.391 ( -0.679 -0.000 0.799) 1.048 9.527 ( -9.588 0.000 -3.952) 10.371 9.585 ( -10.580 -0.000 -2.032) 10.774 9.769 ( -8.957 -0.000 9.288) 12.904 10.245 ( -12.719 0.000 -15.736) 20.234 10.580 ( 4.102 -0.000 7.213) 8.298 10.623 ( 3.618 -0.000 4.955) 6.135 11.132 ( -22.002 -0.000 8.892) 23.731 11.391 ( -14.817 0.000 -8.610) 17.137 ======================= Grid point 127 (55/125) ======================= q-point: ( 0.56 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( -0.000 10.127 34.236) 35.702 1.801 ( 0.000 32.174 23.248) 39.694 2.035 ( 0.000 30.070 -22.552) 37.587 2.062 ( -0.000 6.975 -34.136) 34.841 2.717 ( -0.000 16.090 49.301) 51.860 3.195 ( -0.000 8.191 -42.983) 43.757 3.677 ( -0.000 -1.755 5.552) 5.823 3.744 ( -0.000 1.835 -8.044) 8.250 4.196 ( -0.000 -0.475 3.945) 3.973 4.223 ( 0.000 -1.612 -0.136) 1.618 4.455 ( -0.000 -1.861 0.497) 1.926 4.470 ( -0.000 -6.626 -1.911) 6.896 4.733 ( -0.000 -2.713 10.215) 10.569 4.760 ( -0.000 4.705 2.034) 5.126 4.917 ( -0.000 5.478 10.146) 11.531 4.947 ( -0.000 -0.772 3.893) 3.969 4.982 ( 0.000 -2.451 -3.807) 4.527 5.101 ( -0.000 -1.704 -22.190) 22.256 5.704 ( -0.000 -1.467 1.032) 1.793 5.711 ( 0.000 -3.204 -0.071) 3.205 6.046 ( -0.000 -10.802 0.934) 10.843 6.054 ( -0.000 -11.399 -0.650) 11.417 6.152 ( -0.000 3.247 2.338) 4.001 6.165 ( 0.000 0.589 -0.126) 0.603 6.712 ( -0.000 -0.978 1.555) 1.837 6.726 ( -0.000 -2.577 -1.159) 2.825 6.830 ( -0.000 -1.608 1.534) 2.222 6.850 ( -0.000 0.213 -2.210) 2.221 7.048 ( 0.000 -0.239 0.550) 0.600 7.054 ( 0.000 -0.263 -0.590) 0.646 7.073 ( -0.000 2.491 1.224) 2.776 7.083 ( -0.000 3.497 -0.594) 3.547 7.347 ( 0.000 4.799 -0.551) 4.831 7.356 ( 0.000 6.330 -2.007) 6.641 7.752 ( -0.000 -7.050 3.787) 8.002 7.783 ( 0.000 -7.255 -2.445) 7.656 7.929 ( -0.000 -1.348 10.390) 10.477 8.006 ( -0.000 -5.724 -5.162) 7.707 8.027 ( -0.000 -0.291 10.819) 10.823 8.121 ( -0.000 -3.494 6.940) 7.770 8.133 ( -0.000 1.249 -6.380) 6.502 8.180 ( -0.000 -4.031 -7.713) 8.703 8.419 ( -0.000 4.747 3.104) 5.672 8.474 ( -0.000 5.361 -7.013) 8.827 8.595 ( -0.000 -2.359 2.014) 3.101 8.616 ( 0.000 -2.071 -1.839) 2.770 8.792 ( -0.000 -6.817 6.227) 9.233 8.859 ( 0.000 -6.653 -6.751) 9.478 8.996 ( -0.000 2.243 9.399) 9.663 9.073 ( -0.000 -9.014 6.365) 11.034 9.111 ( -0.000 3.240 -12.397) 12.813 9.147 ( -0.000 -12.519 -7.288) 14.486 9.699 ( -0.000 -6.090 2.360) 6.531 9.729 ( 0.000 -5.294 -3.580) 6.391 10.170 ( -0.000 6.641 18.153) 19.329 10.358 ( -0.000 5.698 -18.170) 19.042 10.543 ( 0.000 1.314 3.327) 3.577 10.556 ( 0.000 1.518 0.316) 1.550 11.635 ( -0.000 -0.106 6.901) 6.902 11.689 ( 0.000 -2.232 -3.801) 4.408 ======================= Grid point 128 (56/125) ======================= q-point: ( 0.67 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( -6.887 7.799 -0.000) 10.405 2.172 ( -16.047 12.264 -0.000) 20.197 2.290 ( -5.274 28.358 -0.000) 28.844 2.300 ( -7.209 25.872 -0.000) 26.857 3.110 ( -1.704 8.667 -0.000) 8.833 3.232 ( -9.176 21.674 -0.000) 23.537 3.706 ( -2.825 -3.108 -0.000) 4.201 3.757 ( -4.707 3.335 -0.000) 5.768 4.166 ( 1.965 -3.264 0.000) 3.810 4.221 ( -1.923 -4.694 -0.000) 5.072 4.315 ( 7.332 0.463 0.000) 7.347 4.477 ( 0.372 -2.883 0.000) 2.907 4.689 ( 2.623 -5.707 0.000) 6.281 4.781 ( 0.120 2.857 -0.000) 2.859 4.917 ( -0.792 -4.622 0.000) 4.689 4.965 ( 2.966 3.291 0.000) 4.430 5.005 ( -0.400 -0.975 -0.000) 1.054 5.097 ( -4.733 7.153 -0.000) 8.577 5.611 ( 5.668 -3.185 0.000) 6.501 5.725 ( -1.244 -2.674 -0.000) 2.949 5.834 ( 3.781 -16.055 0.000) 16.495 5.906 ( 1.556 -14.936 0.000) 15.017 6.183 ( -2.244 -0.907 -0.000) 2.420 6.221 ( -2.632 -0.301 -0.000) 2.650 6.706 ( -1.659 -1.142 -0.000) 2.014 6.748 ( -5.190 -5.011 -0.000) 7.214 6.837 ( 0.014 2.710 -0.000) 2.710 6.848 ( -1.380 -1.086 -0.000) 1.756 7.009 ( 1.521 -1.063 0.000) 1.855 7.041 ( 3.406 1.968 0.000) 3.934 7.134 ( -4.693 4.591 -0.000) 6.565 7.182 ( -1.855 5.436 -0.000) 5.744 7.391 ( 0.998 5.256 -0.000) 5.350 7.445 ( -3.358 4.270 -0.000) 5.432 7.656 ( 2.020 -4.934 0.000) 5.331 7.724 ( -0.569 -5.987 0.000) 6.014 7.771 ( 7.928 -5.926 0.000) 9.898 7.871 ( 10.462 2.129 0.000) 10.677 8.078 ( -5.744 -7.083 -0.000) 9.120 8.101 ( 1.746 2.854 0.000) 3.346 8.186 ( -2.685 -4.825 -0.000) 5.522 8.250 ( -9.113 -0.340 -0.000) 9.119 8.383 ( 1.891 6.625 -0.000) 6.890 8.548 ( 2.536 -5.056 0.000) 5.656 8.599 ( -0.531 0.750 -0.000) 0.919 8.662 ( -8.728 -8.455 -0.000) 12.152 8.773 ( -2.241 -4.114 -0.000) 4.685 8.782 ( -7.124 -0.532 -0.000) 7.144 8.912 ( 4.531 -12.591 0.000) 13.381 8.996 ( 1.202 -6.204 0.000) 6.320 9.122 ( -4.181 -0.358 -0.000) 4.196 9.157 ( -8.204 1.785 -0.000) 8.396 9.569 ( 4.015 -2.421 0.000) 4.689 9.704 ( -1.968 -7.421 0.000) 7.677 10.270 ( 6.104 0.159 0.000) 6.106 10.288 ( 6.077 6.619 0.000) 8.985 10.369 ( 13.340 3.326 0.000) 13.749 10.758 ( -11.486 1.941 -0.000) 11.649 11.534 ( 11.405 -3.288 0.000) 11.869 11.570 ( 9.778 -2.800 0.000) 10.171 ======================= Grid point 134 (57/125) ======================= q-point: ( 0.22 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( 16.806 -9.422 7.115) 20.538 2.494 ( 15.054 -15.116 1.179) 21.366 2.671 ( 1.653 -11.160 -15.634) 19.280 2.808 ( 14.509 -13.368 -6.698) 20.834 3.436 ( 12.992 -4.479 20.387) 24.587 3.740 ( 1.330 4.566 5.813) 7.511 3.842 ( -8.039 -1.099 1.843) 8.321 3.930 ( -2.262 -7.482 7.639) 10.930 4.044 ( -1.571 6.912 -13.153) 14.942 4.247 ( 2.013 1.453 2.743) 3.700 4.322 ( -5.878 -6.425 0.905) 8.755 4.409 ( 8.788 -0.117 -1.431) 8.904 4.481 ( -4.406 -2.485 -3.665) 6.247 4.653 ( -2.446 -2.253 -3.630) 4.923 4.696 ( 4.538 0.114 -5.244) 6.936 4.822 ( -0.076 0.877 2.713) 2.853 5.106 ( -1.461 2.508 3.419) 4.485 5.312 ( -7.022 0.384 -0.255) 7.037 5.357 ( -1.122 -1.856 -2.121) 3.033 5.537 ( -6.276 -6.258 -3.278) 9.450 5.662 ( -5.889 6.747 2.944) 9.427 5.806 ( -4.388 4.797 1.225) 6.615 6.341 ( 1.659 5.639 -0.169) 5.880 6.403 ( 1.372 9.304 0.732) 9.433 6.713 ( -1.257 -2.075 2.119) 3.221 6.734 ( -1.509 -2.849 1.231) 3.451 6.897 ( -2.023 -0.140 -0.495) 2.088 6.926 ( 0.099 0.569 -2.543) 2.608 7.036 ( 1.730 0.674 -0.964) 2.092 7.124 ( 3.731 -2.629 -3.890) 5.997 7.205 ( 4.608 5.897 2.054) 7.760 7.300 ( -7.658 4.435 1.618) 8.997 7.414 ( -2.053 -1.786 2.099) 3.437 7.439 ( -2.476 -2.652 -4.384) 5.691 7.551 ( -0.726 -0.471 -2.564) 2.706 7.641 ( 0.087 0.514 2.182) 2.243 7.744 ( 7.558 2.593 2.428) 8.351 7.821 ( 7.946 4.172 -3.008) 9.465 7.943 ( -0.021 2.203 2.444) 3.291 8.017 ( 2.528 -0.186 0.671) 2.622 8.220 ( -2.747 3.115 5.542) 6.926 8.304 ( -5.850 3.718 -1.525) 7.097 8.405 ( -3.095 1.234 -3.637) 4.932 8.578 ( -1.274 -1.062 -0.826) 1.853 8.699 ( -5.200 3.161 -1.786) 6.342 8.878 ( -5.004 3.820 -1.263) 6.421 8.962 ( -1.980 3.192 1.462) 4.031 8.976 ( -5.044 0.603 2.489) 5.657 9.118 ( 0.687 -1.926 3.843) 4.353 9.270 ( -3.188 3.046 -1.935) 4.815 9.288 ( 2.422 -1.496 -1.434) 3.187 9.397 ( -7.219 0.056 8.979) 11.521 9.482 ( 1.532 -0.652 1.614) 2.319 9.599 ( 12.055 0.695 2.400) 12.311 9.821 ( 12.262 -0.346 -5.223) 13.333 9.898 ( -6.796 -2.595 -9.826) 12.226 10.350 ( 4.058 11.471 1.200) 12.227 10.547 ( -15.742 -3.795 8.356) 18.222 10.855 ( -3.256 -7.657 0.192) 8.323 11.178 ( -5.217 -8.900 -8.271) 13.223 ======================= Grid point 135 (58/125) ======================= q-point: ( 0.33 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( 19.707 -15.919 14.445) 29.162 2.137 ( 19.565 -6.109 14.143) 24.902 2.235 ( 14.051 -17.006 -15.803) 27.136 2.543 ( 6.163 -4.035 -22.967) 24.119 3.232 ( 27.574 -1.430 34.385) 44.098 3.754 ( 5.765 3.442 5.007) 8.376 3.803 ( 3.015 -2.228 0.178) 3.753 3.927 ( 12.577 -0.759 -14.869) 19.490 4.097 ( -6.004 -0.387 -7.811) 9.859 4.142 ( 1.270 -0.855 -10.712) 10.821 4.308 ( -2.561 1.294 7.842) 8.350 4.430 ( -7.348 3.342 3.341) 8.736 4.529 ( -4.334 -3.997 -4.423) 7.371 4.607 ( -5.934 -3.663 -3.226) 7.683 4.732 ( 1.364 2.302 10.477) 10.814 4.877 ( -5.477 -0.831 -1.540) 5.750 5.147 ( 1.036 1.197 1.864) 2.445 5.288 ( 3.730 0.029 -9.623) 10.320 5.466 ( -8.977 3.578 2.368) 9.950 5.597 ( -9.388 -6.133 1.020) 11.260 5.804 ( -3.599 3.398 3.904) 6.304 5.899 ( -3.443 1.385 -2.351) 4.393 6.379 ( 1.845 4.831 1.550) 5.398 6.444 ( 2.510 3.680 -1.011) 4.568 6.726 ( -0.665 -0.532 0.575) 1.028 6.734 ( -2.087 -1.714 0.585) 2.763 6.901 ( -0.525 0.486 -0.884) 1.137 6.965 ( -0.515 -0.418 -2.502) 2.588 7.027 ( 0.345 0.257 -0.167) 0.461 7.044 ( 0.405 1.701 -0.197) 1.760 7.172 ( 6.473 2.686 5.180) 8.715 7.360 ( 3.994 -2.752 -5.341) 7.215 7.439 ( -6.580 -2.047 -0.767) 6.933 7.476 ( -4.510 -0.218 -3.089) 5.471 7.583 ( 10.414 10.320 3.752) 15.133 7.655 ( 3.056 1.828 2.326) 4.253 7.678 ( -5.304 0.045 4.464) 6.933 7.839 ( -0.324 6.222 0.136) 6.232 7.892 ( 0.878 -8.362 3.905) 9.271 7.982 ( -0.367 -1.106 -0.897) 1.470 8.312 ( -1.769 2.072 3.143) 4.160 8.418 ( 0.445 0.462 -4.741) 4.784 8.470 ( -5.459 8.453 -1.085) 10.121 8.581 ( -1.733 -1.437 -0.074) 2.252 8.779 ( -1.727 1.619 0.241) 2.380 8.928 ( 0.115 -7.245 -0.099) 7.246 8.996 ( 5.408 8.651 3.564) 10.807 9.053 ( 1.915 8.129 -0.366) 8.360 9.128 ( 0.740 -1.562 3.779) 4.156 9.263 ( 10.934 5.416 -1.432) 12.286 9.293 ( -0.470 7.615 0.945) 7.688 9.360 ( 10.306 -0.703 -2.589) 10.649 9.444 ( -2.698 -5.984 0.951) 6.633 9.548 ( 4.209 -8.058 -5.219) 10.483 9.664 ( -12.804 -2.290 10.331) 16.610 9.980 ( -13.013 -2.394 -15.321) 20.243 10.506 ( 1.035 16.498 3.925) 16.990 10.782 ( -3.821 -6.895 2.711) 8.337 10.867 ( -17.688 -6.817 12.363) 22.632 11.151 ( -11.696 -5.964 -14.163) 19.313 ======================= Grid point 136 (59/125) ======================= q-point: ( 0.44 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 16.699 -0.000 21.358) 27.111 1.808 ( 14.352 0.000 -16.377) 21.776 1.963 ( 15.037 -0.000 22.863) 27.365 2.248 ( 11.304 0.000 -30.038) 32.095 2.992 ( 26.348 0.000 44.330) 51.569 3.429 ( 20.667 0.000 -40.672) 45.622 3.754 ( 3.370 -0.000 2.012) 3.924 3.760 ( 2.375 0.000 1.706) 2.924 4.147 ( -3.133 0.000 -1.615) 3.524 4.160 ( -4.896 -0.000 -3.328) 5.920 4.425 ( -3.698 0.000 10.306) 10.950 4.510 ( -2.860 -0.000 -6.415) 7.023 4.598 ( -5.144 0.000 5.151) 7.280 4.652 ( -4.573 -0.000 -5.011) 6.784 4.816 ( -2.386 0.000 16.453) 16.625 4.935 ( -4.890 -0.000 -5.248) 7.173 5.117 ( 4.104 0.000 -0.080) 4.105 5.169 ( 4.598 -0.000 -11.429) 12.320 5.645 ( -6.514 -0.000 3.944) 7.615 5.674 ( -6.929 0.000 -1.663) 7.126 5.897 ( -4.181 0.000 4.117) 5.868 5.935 ( -3.455 -0.000 -3.291) 4.771 6.377 ( 4.042 0.000 2.812) 4.924 6.405 ( 4.049 -0.000 -2.601) 4.812 6.738 ( -0.695 0.000 1.354) 1.522 6.753 ( -1.455 -0.000 -1.425) 2.037 6.901 ( 1.213 -0.000 -0.285) 1.246 6.905 ( 2.724 0.000 -0.991) 2.899 7.064 ( 0.021 0.000 1.959) 1.959 7.074 ( -1.948 -0.000 -0.257) 1.965 7.152 ( 2.864 0.000 5.739) 6.414 7.217 ( 5.283 0.000 -6.747) 8.569 7.395 ( 12.380 0.000 1.173) 12.435 7.410 ( 10.709 -0.000 -2.294) 10.952 7.653 ( -9.519 -0.000 0.454) 9.530 7.653 ( -8.591 0.000 0.300) 8.596 7.817 ( -3.292 0.000 7.800) 8.466 7.872 ( -3.784 -0.000 -2.444) 4.505 7.962 ( -6.560 -0.000 3.952) 7.659 7.982 ( -3.313 0.000 -0.111) 3.315 8.331 ( 2.952 -0.000 0.154) 2.956 8.349 ( 5.696 0.000 -3.018) 6.446 8.591 ( -2.511 0.000 0.413) 2.544 8.599 ( -2.731 -0.000 -1.134) 2.957 8.742 ( 11.439 0.000 4.399) 12.255 8.792 ( 9.607 0.000 -5.140) 10.896 8.980 ( 8.561 0.000 6.273) 10.613 8.994 ( 8.021 0.000 3.836) 8.892 9.082 ( 7.136 0.000 -4.568) 8.473 9.103 ( 1.483 -0.000 -8.409) 8.539 9.246 ( 3.892 0.000 8.522) 9.369 9.339 ( 2.984 -0.000 -8.935) 9.420 9.529 ( -11.739 -0.000 2.946) 12.103 9.560 ( -11.167 0.000 -2.825) 11.519 9.901 ( -10.869 -0.000 15.664) 19.066 10.073 ( -11.777 0.000 -17.478) 21.075 10.640 ( 4.623 0.000 3.966) 6.091 10.655 ( 4.094 -0.000 1.022) 4.219 11.219 ( -21.712 0.000 8.383) 23.274 11.304 ( -19.112 -0.000 -8.402) 20.877 ======================= Grid point 144 (60/125) ======================= q-point: ( 0.22 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.477 ( 2.527 4.250 -0.402) 4.961 2.640 ( -6.571 -6.343 -7.666) 11.924 2.808 ( 6.814 -8.592 0.070) 10.966 3.176 ( 8.595 -7.332 0.433) 11.306 3.547 ( -3.634 -0.124 4.490) 5.778 3.737 ( 0.610 -4.654 5.164) 6.978 3.790 ( -1.755 -0.141 2.531) 3.083 3.905 ( -5.692 -8.773 -0.280) 10.462 4.038 ( 5.567 -0.869 -4.524) 7.226 4.193 ( -15.155 -3.564 0.273) 15.571 4.332 ( -6.877 -1.243 0.399) 7.000 4.451 ( -2.627 -3.129 9.777) 10.596 4.516 ( 4.619 -0.419 -3.649) 5.901 4.656 ( 8.929 5.904 -0.880) 10.740 4.761 ( 5.751 -4.291 -11.206) 13.306 4.826 ( 2.447 4.990 -0.084) 5.559 5.093 ( -0.434 -0.477 4.956) 4.998 5.218 ( -3.043 -0.425 -3.418) 4.596 5.374 ( -3.577 -5.161 5.189) 8.146 5.485 ( -3.417 3.898 -0.651) 5.224 5.528 ( -5.110 -7.161 -3.716) 9.550 5.722 ( 0.308 6.138 2.786) 6.748 6.292 ( -0.189 8.977 1.262) 9.067 6.324 ( 1.582 5.299 -0.931) 5.608 6.723 ( -0.888 -0.806 1.383) 1.830 6.760 ( -1.597 -4.719 1.660) 5.251 6.865 ( -1.983 -1.125 0.001) 2.280 6.948 ( 0.543 -2.439 -0.778) 2.617 7.056 ( 4.843 4.568 -3.409) 7.480 7.119 ( -2.282 3.370 -2.031) 4.549 7.157 ( -2.898 4.668 0.216) 5.498 7.224 ( 2.511 -0.334 2.617) 3.642 7.404 ( -0.745 -3.403 -4.654) 5.813 7.474 ( 1.922 -6.491 -2.365) 7.171 7.555 ( -2.067 -2.115 1.585) 3.355 7.620 ( -3.137 0.871 1.120) 3.443 7.759 ( 2.827 5.267 -2.788) 6.596 7.868 ( -0.742 2.868 -0.024) 2.962 7.964 ( 8.604 5.321 -3.014) 10.555 8.003 ( -0.800 6.203 9.740) 11.576 8.178 ( -2.377 1.608 0.371) 2.894 8.263 ( -1.062 -4.377 0.224) 4.509 8.318 ( -3.760 0.528 -3.782) 5.359 8.520 ( -4.808 0.054 -6.312) 7.935 8.604 ( -0.742 4.566 4.195) 6.245 8.765 ( -7.769 -4.326 -1.206) 8.974 8.905 ( -5.021 -1.524 2.855) 5.973 8.935 ( -0.025 2.118 1.879) 2.831 9.116 ( -5.034 -2.316 0.694) 5.584 9.150 ( -7.751 -2.134 -3.421) 8.737 9.258 ( -14.538 -2.859 3.960) 15.336 9.387 ( 3.590 -3.218 0.734) 4.877 9.549 ( 1.641 5.007 -0.967) 5.356 9.593 ( 2.475 5.533 -3.965) 7.243 9.799 ( 3.676 8.725 -0.391) 9.475 10.103 ( 15.524 -4.444 2.819) 16.392 10.405 ( 4.488 2.514 9.201) 10.541 10.499 ( 7.234 -1.779 0.223) 7.452 10.785 ( -7.817 -4.471 -12.305) 15.249 11.249 ( -0.198 -11.117 1.630) 11.238 ======================= Grid point 145 (61/125) ======================= q-point: ( 0.33 0.67 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.360 ( 12.855 -7.008 8.654) 17.008 2.509 ( 11.216 -15.298 0.575) 18.978 2.524 ( 4.066 -11.041 -11.336) 16.338 2.754 ( 18.990 -19.177 -3.249) 27.183 3.644 ( 6.742 -0.631 19.177) 20.337 3.800 ( -2.213 6.875 -2.461) 7.630 3.815 ( 0.240 -0.381 0.513) 0.682 3.910 ( -2.231 7.215 -11.631) 13.868 3.996 ( -5.805 -6.491 4.103) 9.626 4.263 ( 11.378 -2.078 -0.107) 11.567 4.346 ( -1.641 -4.506 3.571) 5.979 4.385 ( 9.933 -0.739 -2.898) 10.373 4.475 ( -8.881 -6.990 3.791) 11.921 4.556 ( -4.398 -7.612 -10.419) 13.632 4.686 ( -0.829 7.414 -0.254) 7.464 4.847 ( 0.413 1.954 1.421) 2.451 5.170 ( -0.349 1.498 8.114) 8.259 5.278 ( -3.534 2.652 -6.806) 8.115 5.337 ( -1.925 -3.714 -0.596) 4.225 5.518 ( -10.546 -7.462 -0.696) 12.937 5.684 ( -5.957 7.612 1.185) 9.738 5.814 ( -1.924 5.362 0.377) 5.709 6.340 ( 1.353 5.807 -0.056) 5.963 6.409 ( 1.018 8.385 0.312) 8.452 6.731 ( -0.640 -1.499 1.185) 2.015 6.742 ( -1.292 -3.464 0.289) 3.709 6.896 ( -0.806 -0.661 0.260) 1.074 6.905 ( -1.390 0.482 -1.421) 2.045 7.029 ( 1.500 2.664 -0.295) 3.071 7.090 ( 3.950 -1.324 -1.991) 4.617 7.234 ( 3.790 4.741 2.785) 6.678 7.300 ( -4.998 3.528 -1.472) 6.292 7.394 ( -3.361 -5.256 -2.846) 6.857 7.432 ( -4.024 4.202 0.969) 5.898 7.531 ( -1.205 -5.058 -1.062) 5.307 7.675 ( -1.291 0.827 2.699) 3.104 7.765 ( 2.764 4.462 1.576) 5.480 7.799 ( 10.596 3.593 -1.403) 11.277 7.953 ( -0.792 2.059 0.001) 2.206 8.025 ( 4.255 -1.536 0.615) 4.565 8.283 ( -2.125 1.076 4.536) 5.124 8.296 ( -6.369 5.140 1.796) 8.379 8.357 ( -2.916 1.556 -5.743) 6.626 8.559 ( -3.310 -1.068 -1.750) 3.893 8.694 ( -4.265 2.758 0.154) 5.081 8.861 ( -6.184 3.150 -1.284) 7.058 8.982 ( -1.468 3.904 2.239) 4.734 8.994 ( -2.440 2.518 0.232) 3.514 9.154 ( 0.507 3.033 3.143) 4.397 9.221 ( -7.019 -4.097 -4.546) 9.312 9.293 ( 7.099 1.703 0.540) 7.321 9.480 ( -7.089 0.862 5.225) 8.849 9.504 ( 0.439 -0.609 1.739) 1.894 9.630 ( 2.718 0.268 3.725) 4.619 9.764 ( 11.130 -0.019 -5.255) 12.309 9.808 ( 5.061 -6.373 -5.771) 9.977 10.361 ( 3.737 14.494 0.597) 14.980 10.642 ( -14.025 -4.167 8.363) 16.852 10.818 ( -11.374 -6.189 -5.746) 14.166 11.124 ( -0.150 -11.981 -2.356) 12.211 ======================= Grid point 146 (62/125) ======================= q-point: (-0.56 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.024 ( 16.492 -13.354 0.000) 21.221 2.102 ( 17.422 -20.261 0.000) 26.722 2.278 ( 12.258 -1.360 0.000) 12.333 2.358 ( 12.016 -8.459 0.000) 14.695 3.569 ( 18.624 0.752 0.000) 18.639 3.582 ( 23.272 2.770 0.000) 23.436 3.802 ( 3.276 0.978 0.000) 3.419 3.892 ( 12.353 -5.681 0.000) 13.597 4.063 ( -6.139 -1.590 -0.000) 6.342 4.075 ( -6.596 0.192 -0.000) 6.599 4.365 ( -1.602 5.188 -0.000) 5.430 4.449 ( -7.327 3.128 -0.000) 7.967 4.500 ( -4.920 -5.493 -0.000) 7.374 4.583 ( -7.983 -5.426 -0.000) 9.653 4.791 ( -3.448 4.532 -0.000) 5.695 4.866 ( -2.490 -2.078 -0.000) 3.244 5.185 ( 3.119 1.032 0.000) 3.285 5.207 ( 4.516 -0.665 0.000) 4.564 5.479 ( -9.317 4.253 -0.000) 10.241 5.603 ( -9.860 -6.645 -0.000) 11.890 5.829 ( -3.982 4.502 -0.000) 6.010 5.881 ( -2.549 0.689 -0.000) 2.641 6.388 ( 1.443 5.766 -0.000) 5.944 6.438 ( 2.649 2.352 0.000) 3.542 6.729 ( -0.506 -0.506 -0.000) 0.715 6.737 ( -1.795 -1.764 -0.000) 2.517 6.897 ( -0.298 1.101 -0.000) 1.140 6.950 ( -0.034 -2.000 0.000) 2.000 7.028 ( -0.330 1.824 -0.000) 1.854 7.043 ( 0.083 1.900 -0.000) 1.902 7.210 ( 6.134 4.069 0.000) 7.361 7.316 ( 3.971 -3.476 0.000) 5.277 7.439 ( -7.034 -0.867 -0.000) 7.087 7.455 ( -4.281 -2.917 -0.000) 5.180 7.604 ( 10.766 11.744 0.000) 15.932 7.670 ( 4.811 -0.142 0.000) 4.813 7.706 ( -7.471 1.042 -0.000) 7.543 7.838 ( 0.129 6.040 -0.000) 6.041 7.920 ( -0.471 -7.224 0.000) 7.239 7.972 ( -1.595 -2.053 -0.000) 2.600 8.343 ( 0.179 2.911 -0.000) 2.916 8.375 ( -0.787 0.028 -0.000) 0.788 8.468 ( -5.144 7.534 -0.000) 9.123 8.579 ( -2.535 -2.115 -0.000) 3.302 8.780 ( -2.232 2.319 -0.000) 3.219 8.926 ( 0.556 -6.749 0.000) 6.772 9.006 ( -0.360 6.980 -0.000) 6.989 9.061 ( 9.511 11.326 0.000) 14.790 9.155 ( 3.716 0.462 0.000) 3.744 9.245 ( 1.900 3.025 0.000) 3.572 9.302 ( -1.627 10.170 -0.000) 10.300 9.347 ( 15.120 -4.716 0.000) 15.838 9.454 ( 8.218 -7.926 0.000) 11.417 9.502 ( -4.560 -5.671 -0.000) 7.277 9.796 ( -13.112 -1.201 -0.000) 13.166 9.833 ( -11.971 -3.995 -0.000) 12.620 10.527 ( 0.967 17.190 -0.000) 17.217 10.795 ( -5.399 -6.621 -0.000) 8.544 10.984 ( -18.842 -4.729 -0.000) 19.426 11.025 ( -10.133 -8.901 -0.000) 13.487 ======================= Grid point 154 (63/125) ======================= q-point: ( 0.22 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( -13.334 12.270 -1.045) 18.151 2.390 ( -19.982 9.867 -5.670) 22.995 2.919 ( 3.029 2.960 3.209) 5.314 3.190 ( -3.794 -4.139 -3.542) 6.639 3.643 ( -1.201 1.372 11.749) 11.890 3.698 ( -8.817 4.672 1.716) 10.125 3.780 ( -0.249 -3.886 -3.586) 5.294 3.941 ( -15.329 2.628 -1.673) 15.642 4.019 ( 3.392 -4.300 4.328) 6.981 4.107 ( 0.201 -3.393 -9.355) 9.953 4.188 ( -8.884 -5.414 -2.236) 10.641 4.471 ( 2.185 2.664 14.489) 14.893 4.606 ( 6.146 1.635 -10.924) 12.641 4.682 ( 4.531 -2.016 -1.371) 5.145 4.798 ( 2.964 6.996 -0.233) 7.601 4.823 ( 3.812 -1.981 -2.596) 5.020 5.192 ( 2.598 -3.134 6.041) 7.285 5.242 ( 3.452 -7.459 -3.610) 8.977 5.299 ( -4.363 3.594 1.529) 5.856 5.524 ( -2.467 -12.824 2.505) 13.297 5.561 ( -0.781 -8.157 -3.040) 8.740 5.729 ( 4.009 0.398 1.796) 4.411 6.186 ( -1.286 7.442 0.260) 7.557 6.306 ( 1.006 3.071 -0.336) 3.248 6.731 ( 0.180 -1.048 0.524) 1.186 6.787 ( -3.115 -4.958 0.987) 5.937 6.856 ( -2.287 -2.068 0.484) 3.121 6.952 ( -0.399 1.065 -1.095) 1.579 7.001 ( -1.781 2.759 -0.611) 3.340 7.044 ( -1.856 1.924 0.116) 2.676 7.178 ( 6.914 2.475 -1.435) 7.482 7.292 ( 2.748 -1.756 0.732) 3.342 7.427 ( 2.319 -1.025 -2.776) 3.760 7.496 ( -9.216 1.985 1.834) 9.604 7.560 ( 0.291 -4.517 -0.153) 4.529 7.572 ( 0.524 -2.354 -1.798) 3.008 7.727 ( 4.400 7.860 -1.264) 9.096 7.815 ( -2.792 0.743 -0.031) 2.890 7.934 ( 0.060 4.933 4.370) 6.590 8.022 ( 2.708 5.954 -1.705) 6.759 8.125 ( -0.642 3.754 0.741) 3.880 8.224 ( -4.163 -2.086 -3.353) 5.738 8.332 ( -3.742 -12.053 -1.191) 12.676 8.470 ( 1.778 -1.145 -1.897) 2.841 8.589 ( 1.331 2.584 3.615) 4.639 8.695 ( -9.230 -5.888 -1.641) 11.070 8.869 ( -2.550 3.280 4.139) 5.865 8.927 ( -3.495 -3.516 0.816) 5.024 9.025 ( -12.021 -4.462 0.536) 12.833 9.075 ( -7.014 -4.174 -1.581) 8.314 9.099 ( -10.696 -5.038 -1.441) 11.910 9.388 ( 0.306 -0.176 -1.219) 1.269 9.557 ( 7.965 3.335 0.850) 8.677 9.579 ( 3.877 4.290 -2.627) 6.351 9.824 ( 8.920 5.195 -0.858) 10.358 10.275 ( -4.658 -3.343 8.965) 10.642 10.553 ( 10.138 0.611 7.346) 12.534 10.647 ( 1.052 -0.825 -10.721) 10.804 10.752 ( 18.692 0.305 -4.126) 19.144 11.377 ( -0.682 -11.315 1.576) 11.444 ======================= Grid point 155 (64/125) ======================= q-point: ( 0.33 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.479 ( 0.105 4.401 -0.000) 4.402 2.595 ( -5.260 -5.600 -0.000) 7.683 2.810 ( 8.111 -9.318 0.000) 12.354 3.177 ( 6.746 -9.428 0.000) 11.592 3.570 ( -4.182 -0.547 -0.000) 4.218 3.774 ( -0.846 -2.843 0.000) 2.966 3.799 ( -4.045 0.589 -0.000) 4.087 3.905 ( 5.158 -6.282 0.000) 8.128 4.009 ( 0.977 -3.072 0.000) 3.223 4.195 ( -15.910 -4.044 -0.000) 16.416 4.327 ( -11.369 -1.880 -0.000) 11.523 4.491 ( 3.867 0.549 0.000) 3.906 4.553 ( 3.845 1.477 0.000) 4.119 4.625 ( -1.182 -0.958 -0.000) 1.522 4.687 ( 13.379 -2.877 0.000) 13.685 4.825 ( 2.616 5.977 0.000) 6.524 5.136 ( -3.281 0.152 -0.000) 3.284 5.185 ( -0.319 0.027 -0.000) 0.320 5.434 ( 2.471 -8.723 0.000) 9.067 5.438 ( -6.862 -0.649 -0.000) 6.893 5.519 ( -7.271 -0.737 -0.000) 7.309 5.738 ( 1.059 6.788 -0.000) 6.870 6.304 ( -0.699 10.457 -0.000) 10.480 6.314 ( 1.750 3.410 0.000) 3.833 6.731 ( -0.879 -0.516 -0.000) 1.019 6.770 ( -1.706 -4.870 -0.000) 5.160 6.865 ( -1.930 -1.583 -0.000) 2.496 6.945 ( 0.496 -2.608 0.000) 2.655 7.035 ( 5.185 5.147 0.000) 7.306 7.104 ( -0.141 3.949 -0.000) 3.951 7.161 ( -4.705 3.849 -0.000) 6.079 7.242 ( 1.688 -0.006 0.000) 1.688 7.373 ( -0.514 -1.996 0.000) 2.061 7.459 ( 1.816 -7.764 0.000) 7.974 7.567 ( -1.951 -3.349 -0.000) 3.876 7.631 ( -4.331 1.050 -0.000) 4.457 7.743 ( 2.194 5.128 0.000) 5.577 7.867 ( -0.707 2.373 -0.000) 2.476 7.945 ( 6.807 6.381 0.000) 9.330 8.062 ( 3.382 5.928 0.000) 6.825 8.182 ( -4.006 2.136 -0.000) 4.540 8.272 ( -4.095 -0.614 -0.000) 4.141 8.287 ( -2.531 -4.599 -0.000) 5.250 8.483 ( -3.527 1.996 -0.000) 4.053 8.627 ( 0.044 4.125 -0.000) 4.125 8.758 ( -7.757 -4.496 -0.000) 8.966 8.916 ( -4.685 -4.616 -0.000) 6.577 8.950 ( 0.464 5.743 -0.000) 5.761 9.115 ( -2.073 1.673 -0.000) 2.664 9.131 ( -12.184 -8.191 -0.000) 14.682 9.288 ( -16.581 -2.928 -0.000) 16.837 9.390 ( 3.262 -1.715 0.000) 3.685 9.533 ( -1.562 6.354 -0.000) 6.543 9.577 ( 6.930 5.391 0.000) 8.779 9.797 ( 3.733 8.613 0.000) 9.387 10.118 ( 17.655 -5.396 0.000) 18.462 10.436 ( 18.325 3.962 0.000) 18.749 10.548 ( -6.980 -2.708 -0.000) 7.486 10.689 ( -9.106 -4.702 -0.000) 10.248 11.258 ( 0.362 -11.725 0.000) 11.730 ======================= Grid point 163 (65/125) ======================= q-point: ( 0.22 -0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( -23.406 18.173 -0.000) 29.632 1.848 ( -25.546 19.591 -0.000) 32.193 2.791 ( -6.771 25.524 -0.000) 26.407 3.167 ( -2.911 -0.322 -0.000) 2.929 3.400 ( -5.352 9.765 -0.000) 11.135 3.535 ( -15.014 10.525 -0.000) 18.335 3.726 ( -5.279 -1.669 -0.000) 5.537 3.774 ( -0.353 6.569 -0.000) 6.578 4.067 ( -8.348 -8.184 -0.000) 11.690 4.075 ( 0.245 -5.106 0.000) 5.112 4.254 ( 2.245 -10.530 0.000) 10.766 4.586 ( 7.589 3.603 0.000) 8.401 4.653 ( 5.785 -2.704 0.000) 6.386 4.734 ( 1.879 9.727 -0.000) 9.907 4.767 ( 7.641 4.191 0.000) 8.715 4.966 ( 2.440 -11.557 0.000) 11.811 5.115 ( -4.914 8.682 -0.000) 9.976 5.354 ( 3.695 -6.880 0.000) 7.809 5.386 ( 3.100 -7.821 0.000) 8.413 5.660 ( 2.236 -11.274 0.000) 11.494 5.663 ( 0.965 -13.535 0.000) 13.570 5.820 ( 2.324 -5.528 0.000) 5.996 6.105 ( -2.418 2.466 -0.000) 3.454 6.264 ( -1.258 4.471 -0.000) 4.645 6.757 ( 1.111 -1.402 0.000) 1.789 6.776 ( -5.351 -4.979 -0.000) 7.309 6.829 ( -3.981 -0.960 -0.000) 4.095 6.920 ( 0.537 3.654 -0.000) 3.693 6.988 ( -1.062 -3.450 0.000) 3.609 7.017 ( -1.355 -1.061 -0.000) 1.721 7.239 ( 8.083 6.697 0.000) 10.497 7.285 ( -4.198 5.659 -0.000) 7.046 7.346 ( -2.951 2.192 -0.000) 3.676 7.444 ( 2.289 3.605 0.000) 4.271 7.617 ( 1.888 -4.588 0.000) 4.961 7.633 ( 3.035 -2.825 0.000) 4.147 7.702 ( 4.492 8.749 0.000) 9.835 7.787 ( -3.284 -3.841 -0.000) 5.054 7.909 ( -4.107 -0.078 -0.000) 4.108 7.948 ( -1.821 1.962 -0.000) 2.676 8.103 ( 5.177 5.632 0.000) 7.650 8.195 ( -5.137 -5.159 -0.000) 7.281 8.401 ( -3.582 -9.627 -0.000) 10.272 8.536 ( 3.388 -0.185 0.000) 3.393 8.603 ( -7.995 -7.037 -0.000) 10.650 8.671 ( 5.158 -7.424 0.000) 9.040 8.814 ( -3.985 -2.694 -0.000) 4.811 8.869 ( -10.826 -1.162 -0.000) 10.888 8.885 ( -7.059 -1.710 -0.000) 7.263 8.958 ( -7.571 1.587 -0.000) 7.735 9.051 ( -5.145 -8.617 -0.000) 10.036 9.523 ( 8.079 -7.733 0.000) 11.183 9.611 ( 5.850 1.460 0.000) 6.029 9.670 ( 8.539 1.068 0.000) 8.605 9.904 ( 9.964 6.224 0.000) 11.748 10.205 ( -10.335 -1.988 -0.000) 10.524 10.485 ( -7.587 -0.320 -0.000) 7.593 10.876 ( 17.441 1.399 0.000) 17.497 10.995 ( 16.704 3.698 0.000) 17.108 11.481 ( -2.212 -11.234 0.000) 11.450 ======================= Grid point 172 (66/125) ======================= q-point: ( 0.22 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( 0.000 27.616 -0.000) 27.616 1.380 ( 0.000 30.495 -0.000) 30.495 2.662 ( 0.000 46.585 -0.000) 46.585 3.052 ( -0.000 -10.337 0.000) 10.337 3.318 ( 0.000 23.889 -0.000) 23.889 3.424 ( -0.000 -2.942 0.000) 2.942 3.530 ( -0.000 -3.274 0.000) 3.274 3.786 ( 0.000 6.495 -0.000) 6.495 3.932 ( -0.000 -8.063 0.000) 8.063 4.057 ( -0.000 -7.836 0.000) 7.836 4.303 ( -0.000 -13.619 0.000) 13.619 4.737 ( 0.000 3.705 -0.000) 3.705 4.764 ( 0.000 11.290 -0.000) 11.290 4.778 ( 0.000 2.374 -0.000) 2.374 4.927 ( -0.000 -13.042 0.000) 13.042 4.947 ( 0.000 4.512 -0.000) 4.512 5.004 ( 0.000 9.671 -0.000) 9.671 5.433 ( -0.000 -9.982 0.000) 9.982 5.482 ( -0.000 -3.364 0.000) 3.364 5.635 ( -0.000 -26.837 0.000) 26.837 5.685 ( -0.000 -20.245 0.000) 20.245 5.871 ( -0.000 -5.866 0.000) 5.866 6.066 ( 0.000 8.378 -0.000) 8.378 6.229 ( 0.000 9.841 -0.000) 9.841 6.652 ( -0.000 -4.026 0.000) 4.026 6.705 ( 0.000 2.078 -0.000) 2.078 6.810 ( -0.000 -1.140 0.000) 1.140 6.948 ( 0.000 3.235 -0.000) 3.235 6.964 ( -0.000 -3.459 0.000) 3.459 6.979 ( -0.000 -3.887 0.000) 3.887 7.243 ( 0.000 5.549 -0.000) 5.549 7.298 ( 0.000 2.254 -0.000) 2.254 7.483 ( 0.000 5.532 -0.000) 5.532 7.489 ( 0.000 5.787 -0.000) 5.787 7.675 ( -0.000 -7.321 0.000) 7.321 7.675 ( 0.000 2.179 -0.000) 2.179 7.722 ( 0.000 7.321 -0.000) 7.321 7.784 ( -0.000 -3.514 0.000) 3.514 7.800 ( 0.000 7.603 -0.000) 7.603 7.922 ( -0.000 -4.780 0.000) 4.780 8.032 ( -0.000 -3.795 0.000) 3.795 8.244 ( -0.000 -7.994 0.000) 7.994 8.329 ( 0.000 2.537 -0.000) 2.537 8.486 ( -0.000 -8.600 0.000) 8.600 8.555 ( -0.000 -1.321 0.000) 1.321 8.675 ( 0.000 4.120 -0.000) 4.120 8.692 ( 0.000 1.189 -0.000) 1.189 8.796 ( -0.000 -4.263 0.000) 4.263 8.861 ( 0.000 7.645 -0.000) 7.645 8.890 ( -0.000 -17.168 0.000) 17.168 8.959 ( -0.000 -11.297 0.000) 11.297 9.640 ( -0.000 -5.894 0.000) 5.894 9.718 ( 0.000 0.185 -0.000) 0.185 9.895 ( 0.000 1.992 -0.000) 1.992 9.907 ( -0.000 -6.210 0.000) 6.210 10.194 ( -0.000 -5.637 0.000) 5.637 10.238 ( 0.000 10.757 -0.000) 10.757 11.173 ( 0.000 0.711 -0.000) 0.711 11.269 ( 0.000 3.134 -0.000) 3.134 11.377 ( -0.000 -14.793 0.000) 14.793 ======================= Grid point 173 (67/125) ======================= q-point: ( 0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( -16.097 21.636 3.127) 27.148 1.825 ( -12.591 25.707 8.077) 29.742 2.947 ( -5.003 -8.502 -8.169) 12.808 3.079 ( 2.196 17.641 8.079) 19.527 3.424 ( -5.071 9.661 -4.699) 11.880 3.500 ( -2.599 7.360 -10.746) 13.282 3.605 ( -8.140 -0.477 5.413) 9.787 3.843 ( 2.429 1.064 2.316) 3.521 3.885 ( -4.031 -7.311 5.701) 10.109 4.039 ( -3.396 1.818 1.729) 4.222 4.137 ( 0.048 -14.188 -0.680) 14.204 4.697 ( 6.882 -6.775 1.440) 9.764 4.719 ( 4.937 0.992 -4.647) 6.852 4.868 ( 0.050 2.513 1.079) 2.735 4.879 ( -0.682 4.672 2.982) 5.585 4.933 ( 7.208 2.056 0.401) 7.506 5.117 ( -3.905 7.993 -6.374) 10.944 5.293 ( 2.053 -16.305 -1.833) 16.536 5.317 ( 1.339 -12.482 0.476) 12.562 5.465 ( -1.043 -20.011 -0.285) 20.040 5.498 ( -3.595 -8.192 2.976) 9.428 5.792 ( 0.652 -5.232 -2.472) 5.823 6.168 ( 0.079 9.556 0.844) 9.593 6.329 ( 0.390 8.061 -0.099) 8.071 6.647 ( -3.800 -3.187 0.086) 4.960 6.737 ( -0.771 -0.353 -0.240) 0.882 6.797 ( -0.574 0.088 -0.808) 0.995 6.928 ( -0.249 -4.023 0.453) 4.056 6.960 ( -2.724 -2.828 0.701) 3.989 6.984 ( -0.354 3.319 0.984) 3.480 7.292 ( -1.237 3.782 -0.761) 4.051 7.325 ( -0.686 0.681 -1.479) 1.767 7.444 ( 7.493 2.764 2.117) 8.262 7.532 ( 2.767 3.270 0.254) 4.292 7.586 ( 1.945 -5.328 0.164) 5.674 7.689 ( 4.938 -1.068 2.440) 5.610 7.740 ( -1.986 3.320 -0.458) 3.895 7.794 ( -6.336 -0.787 -4.802) 7.989 7.870 ( 2.058 0.926 1.164) 2.539 7.975 ( -1.860 10.779 4.621) 11.875 8.056 ( -5.856 -1.323 -0.917) 6.073 8.173 ( -0.203 -4.697 2.595) 5.370 8.325 ( 4.078 -0.997 2.846) 5.072 8.428 ( -3.915 -5.747 -1.566) 7.128 8.591 ( -0.046 3.623 -0.598) 3.673 8.665 ( 2.239 -5.297 -2.852) 6.419 8.704 ( -0.627 -2.434 0.675) 2.603 8.763 ( -4.284 -1.681 -0.618) 4.644 8.779 ( -4.048 -1.956 2.071) 4.950 8.878 ( -4.305 -4.055 -4.512) 7.438 8.985 ( 0.110 6.749 5.235) 8.542 9.507 ( 3.809 -8.762 -6.456) 11.531 9.689 ( 2.956 -3.359 5.662) 7.216 9.767 ( 4.540 -2.476 -4.284) 6.716 10.006 ( -8.972 0.672 -6.210) 10.932 10.089 ( 6.396 -0.753 4.385) 7.791 10.424 ( -5.056 5.939 7.100) 10.548 11.059 ( 9.589 -1.557 -8.139) 12.673 11.228 ( 7.347 -3.574 4.690) 9.421 11.266 ( -3.258 -13.738 2.877) 14.410 ======================= Grid point 174 (68/125) ======================= q-point: ( 0.44 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( -16.693 12.079 2.572) 20.765 2.313 ( -13.170 15.704 10.447) 23.004 2.918 ( -7.029 -5.747 -5.177) 10.452 3.143 ( 4.846 2.740 8.538) 10.192 3.509 ( -3.774 -4.621 -8.383) 10.289 3.574 ( -5.979 -0.215 -10.855) 12.394 3.732 ( -7.284 -4.190 0.741) 8.436 3.807 ( 0.881 -0.862 4.036) 4.220 3.937 ( -8.513 -8.698 9.897) 15.687 4.035 ( 1.896 0.302 -6.068) 6.365 4.167 ( -3.420 2.116 5.124) 6.514 4.509 ( 9.285 -1.486 -8.224) 12.492 4.588 ( -0.877 -13.463 2.831) 13.785 4.749 ( 5.696 -3.213 8.283) 10.553 4.941 ( 2.539 8.938 -1.456) 9.405 4.973 ( 2.203 7.854 1.394) 8.275 5.123 ( 0.602 -11.346 -2.367) 11.606 5.195 ( 1.144 -4.461 -4.265) 6.277 5.229 ( -5.886 -0.695 -4.117) 7.216 5.317 ( -3.556 -9.376 -1.582) 10.152 5.491 ( -1.379 -4.693 5.967) 7.716 5.729 ( -0.353 -2.931 -3.070) 4.259 6.280 ( -0.019 10.827 0.370) 10.833 6.386 ( 2.138 6.412 0.246) 6.764 6.677 ( -3.666 -2.556 -0.553) 4.503 6.717 ( 0.217 -1.571 -0.958) 1.853 6.809 ( -1.112 -0.684 -0.272) 1.334 6.900 ( -1.496 -3.640 1.404) 4.178 7.005 ( -3.976 0.234 -0.402) 4.003 7.056 ( -2.369 5.093 2.733) 6.247 7.278 ( 2.151 -1.939 -1.510) 3.266 7.348 ( 4.696 1.744 0.122) 5.011 7.411 ( -2.855 0.979 1.285) 3.281 7.477 ( 5.478 -1.537 0.777) 5.742 7.516 ( -0.493 -3.137 0.808) 3.276 7.626 ( 5.509 -0.924 6.455) 8.537 7.811 ( -2.268 2.862 1.259) 3.863 7.851 ( -2.060 1.028 -3.816) 4.457 7.892 ( -2.708 5.816 -3.876) 7.496 8.084 ( -6.044 -0.980 -4.263) 7.461 8.152 ( 1.370 0.005 4.183) 4.402 8.190 ( -4.072 6.363 7.384) 10.564 8.249 ( 5.399 1.016 3.583) 6.559 8.452 ( -7.536 -5.225 -3.676) 9.879 8.531 ( 6.147 -0.322 0.337) 6.164 8.636 ( -1.712 0.462 0.117) 1.778 8.750 ( -5.647 -2.453 -8.140) 10.206 8.836 ( -8.483 -0.773 -1.606) 8.669 8.858 ( -6.431 -0.714 0.658) 6.504 8.952 ( -5.573 0.250 2.527) 6.125 9.007 ( 3.241 -1.663 7.206) 8.075 9.366 ( -0.103 -3.779 -3.800) 5.361 9.660 ( 0.517 0.961 3.781) 3.935 9.685 ( 3.042 2.663 -5.230) 6.611 10.001 ( 5.354 1.141 1.090) 5.582 10.117 ( -4.236 2.543 -3.764) 6.211 10.572 ( -3.132 1.483 9.032) 9.674 10.808 ( 14.319 -2.534 -6.400) 15.887 11.030 ( 14.909 -5.437 4.040) 16.375 11.169 ( -4.050 -15.598 0.039) 16.115 ======================= Grid point 175 (69/125) ======================= q-point: ( 0.56 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.471 ( -10.556 -4.405 0.360) 11.444 2.586 ( -1.636 2.982 10.254) 10.803 2.893 ( 11.973 1.380 -1.321) 12.125 3.163 ( -3.240 -3.938 8.965) 10.314 3.500 ( -1.863 -2.404 -6.702) 7.360 3.540 ( -6.179 -8.301 -4.767) 11.394 3.672 ( -1.375 -3.263 -3.907) 5.273 3.847 ( 5.213 -6.475 -3.930) 9.195 3.937 ( -12.922 -2.579 0.931) 13.209 4.082 ( -9.608 -7.779 7.857) 14.648 4.181 ( 0.398 1.391 0.127) 1.452 4.416 ( 3.055 1.665 -11.924) 12.421 4.533 ( -1.094 -3.976 9.360) 10.228 4.778 ( -0.797 3.847 0.688) 3.988 4.934 ( 8.358 1.762 0.641) 8.566 4.950 ( 7.030 -0.365 -0.229) 7.043 5.027 ( -3.975 -1.089 -3.621) 5.486 5.133 ( -4.005 -6.139 -4.532) 8.617 5.228 ( -1.196 -4.453 7.088) 8.456 5.401 ( -9.004 3.598 -5.634) 11.214 5.502 ( -0.225 -0.639 6.503) 6.539 5.714 ( -2.213 -0.318 -4.348) 4.889 6.395 ( 0.886 9.238 0.103) 9.281 6.424 ( 1.570 6.990 0.970) 7.230 6.684 ( -1.435 -2.871 -1.668) 3.617 6.696 ( -0.400 -0.754 -1.958) 2.136 6.824 ( -2.035 -0.623 0.248) 2.142 6.909 ( -2.189 -2.787 3.051) 4.677 7.068 ( -4.463 1.233 -1.659) 4.918 7.180 ( -1.638 5.483 3.021) 6.471 7.218 ( 4.130 -0.261 1.833) 4.526 7.257 ( 5.514 0.019 -0.808) 5.573 7.390 ( 0.073 -1.165 0.135) 1.175 7.442 ( 0.144 -3.494 -0.433) 3.524 7.567 ( 1.243 -1.884 5.476) 5.923 7.573 ( -1.628 0.603 8.754) 8.924 7.860 ( -1.048 1.642 -0.755) 2.089 7.892 ( -0.908 3.280 1.439) 3.695 7.985 ( -3.155 8.024 -9.801) 13.053 8.148 ( 2.031 3.028 0.138) 3.649 8.155 ( -1.644 2.741 1.577) 3.564 8.235 ( -0.135 0.447 1.788) 1.848 8.333 ( 1.555 5.321 4.263) 6.994 8.456 ( -2.539 -4.424 0.028) 5.100 8.507 ( -9.210 -3.599 -2.184) 10.127 8.637 ( 1.034 -2.662 -3.033) 4.165 8.771 ( -6.501 -2.049 -0.290) 6.822 8.914 ( -3.210 -3.364 -2.883) 5.471 8.944 ( -7.709 -3.667 0.799) 8.574 8.974 ( -10.892 -2.041 -2.393) 11.337 9.125 ( -5.792 1.443 6.554) 8.865 9.335 ( -0.315 -3.583 -1.278) 3.817 9.680 ( 0.500 5.182 -2.256) 5.674 9.733 ( 2.044 10.213 -1.890) 10.585 9.978 ( 5.065 9.085 2.869) 10.790 10.139 ( 1.944 0.030 -3.484) 3.990 10.485 ( 13.995 -0.405 -5.770) 15.143 10.684 ( 2.453 -7.544 9.259) 12.193 10.752 ( 10.182 -2.836 3.781) 11.226 11.057 ( -3.798 -14.652 -1.198) 15.183 ======================= Grid point 176 (70/125) ======================= q-point: (-0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.395 ( 11.084 -10.362 -3.361) 15.541 2.578 ( 8.060 -4.655 8.032) 12.294 2.725 ( 5.721 2.531 8.768) 10.771 2.954 ( 18.922 -12.207 8.238) 23.977 3.432 ( 4.645 -0.706 -16.269) 16.934 3.630 ( -13.533 -0.588 -5.295) 14.544 3.744 ( -3.428 1.385 -3.444) 5.053 3.799 ( -5.429 -1.080 -1.715) 5.795 4.087 ( -9.181 -3.585 -0.833) 9.891 4.148 ( -3.377 2.713 -3.784) 5.751 4.243 ( -1.732 -2.474 -1.710) 3.471 4.317 ( -4.578 -1.368 6.702) 8.230 4.579 ( -0.522 -0.890 9.274) 9.332 4.686 ( 8.544 -0.811 -8.485) 12.069 4.841 ( 7.949 1.460 3.752) 8.910 4.866 ( 6.014 0.589 -0.957) 6.118 5.082 ( -3.651 0.920 -1.835) 4.188 5.167 ( -10.105 -2.889 -2.118) 10.721 5.260 ( -3.288 -2.495 6.050) 7.323 5.499 ( -0.288 -1.792 9.049) 9.229 5.608 ( -9.344 6.536 -6.565) 13.157 5.730 ( -3.819 -1.315 -4.885) 6.338 6.437 ( 2.708 5.126 0.568) 5.825 6.495 ( 0.415 4.804 1.051) 4.935 6.655 ( -1.042 -1.872 -2.399) 3.217 6.695 ( -0.891 -0.315 -2.290) 2.477 6.859 ( -2.818 -0.023 0.435) 2.852 6.932 ( -1.761 -0.884 3.090) 3.664 7.099 ( 7.322 0.051 -0.091) 7.323 7.163 ( -4.848 0.156 2.101) 5.285 7.182 ( 1.178 -1.196 -0.831) 1.873 7.280 ( -1.782 1.741 -2.738) 3.702 7.389 ( -1.878 -3.297 1.057) 3.939 7.441 ( 3.767 3.680 3.681) 6.425 7.573 ( -1.520 1.549 5.969) 6.352 7.647 ( -0.603 -0.368 7.112) 7.147 7.876 ( 2.566 3.613 -0.447) 4.453 7.945 ( -1.416 1.116 1.633) 2.432 7.996 ( 6.054 3.763 -9.177) 11.620 8.088 ( 8.794 1.301 -0.545) 8.906 8.199 ( 1.015 -0.430 0.033) 1.103 8.284 ( -5.478 8.195 1.478) 9.967 8.373 ( -3.854 1.104 0.488) 4.039 8.508 ( -6.016 -4.640 3.816) 8.502 8.626 ( -5.890 -0.706 2.148) 6.309 8.661 ( -15.359 -6.725 1.117) 16.804 8.876 ( -6.836 1.819 -1.776) 7.293 8.942 ( -4.118 0.589 -4.286) 5.973 8.999 ( -4.666 -3.653 -1.586) 6.135 9.121 ( -12.222 0.013 -7.707) 14.449 9.203 ( -6.978 -4.556 -8.841) 12.149 9.321 ( 0.307 0.600 8.048) 8.076 9.710 ( 4.209 4.849 1.046) 6.506 9.757 ( 6.869 8.653 -1.016) 11.094 9.950 ( 11.895 -0.011 2.282) 12.112 10.037 ( 10.866 1.425 3.878) 11.625 10.329 ( 0.421 0.053 -6.654) 6.667 10.531 ( 4.653 4.193 0.709) 6.304 10.726 ( -1.604 -9.398 -0.206) 9.536 11.020 ( -7.610 -7.709 7.995) 13.463 ======================= Grid point 177 (71/125) ======================= q-point: (-0.22 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.008 ( 24.733 0.000 -6.465) 25.564 2.355 ( 21.946 0.000 3.878) 22.286 2.598 ( 18.170 -0.000 11.264) 21.378 2.856 ( -5.100 -0.000 18.163) 18.866 3.146 ( 20.384 0.000 -24.734) 32.051 3.681 ( 7.680 0.000 -10.856) 13.298 3.693 ( -3.959 0.000 -10.802) 11.504 3.885 ( -9.909 -0.000 1.234) 9.985 4.171 ( -4.356 0.000 -2.085) 4.829 4.269 ( -8.738 -0.000 6.917) 11.145 4.294 ( -3.983 0.000 -1.162) 4.149 4.473 ( -7.157 -0.000 7.823) 10.603 4.491 ( 8.124 0.000 -3.104) 8.696 4.624 ( 0.869 -0.000 5.710) 5.775 4.730 ( 11.358 -0.000 3.374) 11.848 4.813 ( -2.146 0.000 -0.449) 2.192 5.122 ( -3.120 0.000 -2.607) 4.066 5.310 ( -9.886 0.000 -1.902) 10.068 5.337 ( -5.570 -0.000 2.772) 6.222 5.518 ( 0.453 -0.000 6.246) 6.263 5.723 ( -1.822 0.000 -4.113) 4.498 5.797 ( -10.652 0.000 -3.688) 11.272 6.417 ( 3.315 0.000 -1.118) 3.499 6.520 ( 0.917 -0.000 2.121) 2.311 6.664 ( -2.484 0.000 -1.871) 3.110 6.692 ( -0.896 0.000 -2.286) 2.455 6.910 ( -2.259 -0.000 2.713) 3.530 6.976 ( -2.591 -0.000 1.090) 2.811 7.014 ( 2.350 0.000 -0.508) 2.404 7.105 ( 4.565 -0.000 1.238) 4.730 7.271 ( -2.988 0.000 -11.116) 11.510 7.335 ( -9.993 -0.000 4.027) 10.773 7.342 ( 12.248 -0.000 6.020) 13.648 7.421 ( -3.382 0.000 -0.725) 3.459 7.647 ( 4.393 -0.000 1.480) 4.635 7.668 ( -2.284 -0.000 4.404) 4.961 7.857 ( 4.340 0.000 -3.270) 5.434 7.861 ( 11.069 0.000 -0.442) 11.078 7.881 ( 5.716 0.000 0.590) 5.747 7.998 ( 0.600 -0.000 0.722) 0.939 8.231 ( -3.586 0.000 -1.604) 3.928 8.420 ( -4.166 -0.000 0.278) 4.175 8.490 ( -6.152 -0.000 0.724) 6.195 8.565 ( -3.090 -0.000 5.832) 6.601 8.753 ( -7.461 -0.000 0.334) 7.469 8.772 ( -3.890 -0.000 -0.153) 3.893 8.981 ( -6.483 0.000 -3.337) 7.292 8.983 ( -2.486 0.000 -6.993) 7.422 9.031 ( -5.668 -0.000 -0.973) 5.751 9.247 ( -10.636 0.000 -9.120) 14.011 9.248 ( -8.057 0.000 -7.642) 11.104 9.334 ( 3.785 -0.000 1.810) 4.196 9.597 ( 15.526 0.000 0.174) 15.527 9.689 ( 10.379 -0.000 9.289) 13.929 9.779 ( 9.085 -0.000 8.075) 12.155 9.989 ( -4.993 -0.000 5.494) 7.424 10.386 ( -11.275 0.000 -7.811) 13.717 10.592 ( -1.187 0.000 -6.124) 6.238 10.615 ( -0.231 0.000 -2.033) 2.046 11.180 ( -10.081 -0.000 12.369) 15.957 ======================= Grid point 182 (72/125) ======================= q-point: ( 0.33 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( 0.000 26.081 10.073) 27.958 1.492 ( 0.000 27.761 20.583) 34.560 2.690 ( 0.000 43.631 5.283) 43.950 2.985 ( -0.000 -4.431 -12.536) 13.296 3.197 ( 0.000 18.174 -16.482) 24.535 3.499 ( -0.000 -3.530 -3.341) 4.861 3.504 ( 0.000 1.749 8.260) 8.443 3.860 ( 0.000 2.779 11.514) 11.845 3.966 ( -0.000 -7.743 6.367) 10.025 4.057 ( -0.000 -6.716 0.400) 6.728 4.299 ( -0.000 -12.783 -0.686) 12.801 4.729 ( 0.000 3.989 -2.922) 4.945 4.763 ( 0.000 8.870 0.864) 8.912 4.782 ( 0.000 3.083 -1.624) 3.484 4.892 ( -0.000 6.752 -11.646) 13.462 4.930 ( -0.000 -10.106 0.793) 10.138 4.984 ( 0.000 7.147 1.189) 7.245 5.412 ( -0.000 -10.026 -4.345) 10.927 5.518 ( 0.000 -3.383 5.847) 6.756 5.636 ( -0.000 -26.791 0.236) 26.792 5.683 ( -0.000 -20.424 -0.362) 20.428 5.828 ( -0.000 -3.567 -7.199) 8.034 6.088 ( 0.000 6.663 3.467) 7.511 6.233 ( 0.000 9.098 0.605) 9.118 6.653 ( -0.000 -3.833 0.155) 3.837 6.706 ( 0.000 1.963 0.266) 1.981 6.800 ( -0.000 -1.254 -1.633) 2.059 6.950 ( 0.000 2.788 0.237) 2.798 6.971 ( -0.000 -3.218 1.392) 3.506 6.987 ( -0.000 -3.211 1.423) 3.512 7.237 ( 0.000 5.271 -0.914) 5.350 7.273 ( 0.000 4.469 -4.030) 6.018 7.498 ( 0.000 4.242 2.108) 4.737 7.503 ( 0.000 5.471 1.805) 5.761 7.641 ( 0.000 3.767 -4.453) 5.832 7.673 ( -0.000 -6.948 -0.306) 6.955 7.727 ( 0.000 5.216 1.418) 5.405 7.775 ( -0.000 -3.597 1.167) 3.781 7.874 ( 0.000 7.049 9.693) 11.985 7.933 ( -0.000 -4.716 1.578) 4.973 8.022 ( -0.000 -4.589 -1.488) 4.825 8.272 ( -0.000 -7.310 5.484) 9.139 8.357 ( 0.000 1.611 4.544) 4.822 8.453 ( -0.000 -6.000 -5.312) 8.014 8.547 ( -0.000 -1.435 -1.749) 2.262 8.687 ( -0.000 0.533 -0.839) 0.994 8.697 ( 0.000 1.499 3.534) 3.838 8.804 ( -0.000 1.935 -8.785) 8.996 8.804 ( -0.000 -4.152 1.769) 4.513 8.897 ( -0.000 -15.672 1.172) 15.715 8.986 ( -0.000 -4.646 2.916) 5.485 9.580 ( -0.000 -7.105 -7.915) 10.637 9.743 ( -0.000 0.328 -7.955) 7.962 9.847 ( 0.000 6.232 3.910) 7.357 9.849 ( -0.000 -6.321 -9.431) 11.353 10.250 ( 0.000 -5.574 9.031) 10.613 10.323 ( 0.000 7.192 12.582) 14.492 11.065 ( -0.000 3.074 -14.485) 14.808 11.359 ( 0.000 0.613 10.902) 10.919 11.401 ( -0.000 -14.894 4.383) 15.525 ======================= Grid point 183 (73/125) ======================= q-point: ( 0.44 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( -14.809 19.867 9.109) 26.400 1.975 ( -11.079 22.893 20.377) 32.590 2.846 ( -5.521 -4.421 -11.376) 13.396 3.162 ( 0.408 14.285 4.725) 15.052 3.338 ( -7.359 16.304 -8.042) 19.613 3.408 ( 3.377 4.434 -6.988) 8.938 3.626 ( -8.424 -1.977 -0.745) 8.684 3.894 ( 2.049 -3.730 7.129) 8.302 3.969 ( -4.889 -7.310 9.398) 12.871 4.065 ( -5.322 0.722 2.109) 5.770 4.135 ( 3.446 -10.851 1.763) 11.520 4.644 ( 7.757 0.884 -9.518) 12.310 4.721 ( 2.898 -7.977 1.833) 8.683 4.849 ( 1.099 8.589 -3.313) 9.271 4.911 ( 0.958 5.390 -3.262) 6.372 4.958 ( -1.902 0.517 6.200) 6.506 5.046 ( 0.760 5.233 -2.738) 5.955 5.254 ( 2.356 -9.889 -5.674) 11.642 5.322 ( 0.303 -20.682 0.389) 20.688 5.459 ( -1.107 -20.186 -0.905) 20.237 5.540 ( -2.351 -5.693 4.422) 7.582 5.751 ( 0.529 -3.454 -4.882) 6.003 6.182 ( 0.444 8.729 1.802) 8.924 6.326 ( -0.055 7.271 -0.699) 7.304 6.649 ( -3.286 -2.785 0.372) 4.323 6.731 ( -0.431 -0.915 -1.176) 1.551 6.788 ( -0.808 0.770 -0.356) 1.171 6.934 ( 0.192 -3.089 0.612) 3.155 6.975 ( -2.356 -2.253 2.219) 3.943 6.999 ( -0.646 2.984 1.611) 3.452 7.280 ( -1.053 3.038 -1.456) 3.530 7.304 ( 0.085 3.056 -2.083) 3.699 7.475 ( 4.760 0.846 3.342) 5.877 7.533 ( 3.097 1.702 -0.313) 3.548 7.587 ( 2.088 -4.479 -0.025) 4.942 7.698 ( -3.835 1.793 -4.852) 6.439 7.739 ( 3.048 1.848 2.722) 4.485 7.767 ( -0.688 1.491 2.267) 2.799 7.893 ( 1.743 -0.798 3.061) 3.612 7.990 ( -4.232 -0.665 -2.655) 5.040 8.081 ( -5.541 5.678 5.899) 9.886 8.226 ( 1.284 -4.197 7.874) 9.014 8.367 ( 1.041 -2.936 2.495) 3.991 8.405 ( -1.598 -3.951 -0.540) 4.295 8.575 ( -1.430 4.436 -2.774) 5.424 8.638 ( 2.583 -3.170 -1.703) 4.430 8.683 ( 0.524 -4.779 -5.368) 7.207 8.765 ( -2.990 -1.899 0.868) 3.646 8.801 ( -2.244 -2.220 2.400) 3.965 8.855 ( -6.684 0.230 1.205) 6.796 9.035 ( -0.647 4.598 3.546) 5.842 9.421 ( 1.612 -9.063 -9.238) 13.041 9.693 ( 2.057 -0.885 -7.330) 7.664 9.737 ( 0.301 -5.535 -1.977) 5.885 9.952 ( -2.886 3.557 0.432) 4.601 10.156 ( 8.120 -0.080 7.812) 11.268 10.525 ( -6.537 2.879 10.834) 12.976 10.949 ( 8.658 1.158 -12.174) 14.983 11.270 ( 0.235 -14.019 3.756) 14.516 11.323 ( 6.450 -5.899 6.634) 10.973 ======================= Grid point 184 (74/125) ======================= q-point: ( 0.56 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.246 ( -15.840 8.283 4.153) 18.351 2.461 ( -11.366 13.993 17.810) 25.341 2.874 ( -6.169 -0.120 -2.976) 6.850 3.230 ( 0.048 0.326 6.480) 6.489 3.380 ( -1.060 5.670 -13.685) 14.851 3.483 ( -5.728 -6.216 -8.494) 11.983 3.733 ( -3.049 -2.560 -0.319) 3.994 3.853 ( -1.356 -5.154 4.044) 6.690 3.989 ( 1.330 0.740 -1.837) 2.386 4.045 ( -6.763 -10.191 10.625) 16.201 4.212 ( -5.173 2.481 3.823) 6.894 4.408 ( 12.540 -3.183 -10.210) 16.481 4.649 ( -3.328 -10.326 7.039) 12.933 4.805 ( 5.617 -4.312 1.366) 7.212 4.925 ( 0.978 7.480 -1.201) 7.639 4.980 ( -1.247 0.128 -0.615) 1.396 5.087 ( 3.200 -2.381 -2.895) 4.929 5.153 ( -2.822 -7.943 -3.108) 8.984 5.179 ( -3.672 -0.792 -6.016) 7.093 5.320 ( -1.490 -8.272 2.237) 8.698 5.545 ( -1.474 -2.429 4.151) 5.030 5.693 ( 0.270 -2.126 -3.362) 3.987 6.286 ( 0.343 10.496 0.666) 10.523 6.385 ( 1.420 6.549 -0.685) 6.736 6.672 ( -2.782 -2.429 -0.391) 3.714 6.704 ( -0.055 -2.000 -1.521) 2.513 6.808 ( -0.735 -0.181 -0.122) 0.767 6.922 ( -1.448 -1.983 2.837) 3.752 7.008 ( -2.580 -0.367 1.059) 2.813 7.085 ( -2.699 6.097 2.567) 7.145 7.261 ( 1.516 -0.969 -1.905) 2.621 7.341 ( 2.931 2.047 -1.170) 3.762 7.426 ( 0.965 -2.108 1.365) 2.690 7.494 ( 2.945 -2.728 2.518) 4.739 7.535 ( -2.138 -0.808 2.678) 3.520 7.697 ( 4.243 0.243 6.196) 7.514 7.770 ( -3.520 3.567 -8.326) 9.718 7.830 ( -1.062 3.953 2.295) 4.693 7.890 ( 1.773 3.434 0.931) 3.975 8.043 ( -7.297 -1.571 -2.975) 8.035 8.199 ( -0.817 -4.106 4.871) 6.423 8.249 ( -1.118 3.550 2.787) 4.650 8.310 ( 3.457 2.104 7.878) 8.856 8.408 ( -5.936 -4.435 -4.287) 8.560 8.532 ( 4.941 -0.861 -0.504) 5.041 8.621 ( -1.199 -1.531 -3.712) 4.191 8.684 ( -5.367 1.288 -2.950) 6.259 8.823 ( -6.831 -1.568 -0.704) 7.044 8.862 ( -4.588 -0.472 0.026) 4.613 8.973 ( -4.366 -1.968 1.453) 5.004 9.087 ( -0.943 1.587 7.877) 8.090 9.320 ( -2.962 -3.446 -4.820) 6.624 9.623 ( 1.034 1.013 -6.041) 6.212 9.691 ( 0.507 -0.766 0.904) 1.288 9.982 ( 1.894 3.032 -2.836) 4.563 10.131 ( 4.830 5.922 5.709) 9.539 10.636 ( 4.345 0.158 -0.710) 4.406 10.767 ( 4.325 -1.089 2.195) 4.971 11.068 ( 13.093 -8.862 2.932) 16.080 11.170 ( -0.064 -14.019 0.114) 14.019 ======================= Grid point 185 (75/125) ======================= q-point: ( 0.67 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.474 ( -12.556 -7.761 0.086) 14.761 2.708 ( 3.089 2.758 13.272) 13.903 2.903 ( 8.831 3.005 3.561) 9.985 3.261 ( -0.309 -5.874 9.649) 11.301 3.408 ( -2.041 3.384 -10.577) 11.291 3.446 ( -5.815 -4.053 -12.641) 14.492 3.664 ( -3.687 -6.605 1.186) 7.657 3.825 ( 5.278 -4.311 -1.084) 6.900 3.943 ( -8.683 -5.839 0.255) 10.467 4.146 ( -0.083 -6.451 1.189) 6.560 4.186 ( -6.419 0.089 2.408) 6.857 4.318 ( 0.086 0.541 -3.969) 4.007 4.639 ( -0.005 -3.706 9.393) 10.098 4.729 ( 1.403 -3.312 -8.953) 9.648 4.936 ( 6.657 3.676 0.148) 7.606 4.960 ( -0.671 -5.513 1.718) 5.813 5.000 ( -1.428 0.043 -1.222) 1.880 5.109 ( -3.142 -4.670 -0.893) 5.699 5.305 ( -1.452 1.395 5.576) 5.929 5.316 ( -9.040 3.969 -7.865) 12.623 5.570 ( -0.379 -1.081 5.642) 5.757 5.667 ( -1.203 -0.044 -4.279) 4.445 6.399 ( 0.685 9.775 0.584) 9.817 6.429 ( 1.554 7.174 0.030) 7.341 6.669 ( -0.842 -3.677 -1.230) 3.968 6.677 ( -0.502 -0.909 -1.664) 1.961 6.820 ( -2.069 -0.311 -0.847) 2.257 6.946 ( -1.350 -1.839 3.727) 4.370 7.062 ( -3.499 1.676 0.320) 3.893 7.199 ( 0.640 2.911 1.647) 3.405 7.236 ( 4.090 -0.522 -1.627) 4.432 7.261 ( 1.782 3.307 3.486) 5.125 7.369 ( 0.648 -2.470 -2.661) 3.688 7.464 ( 0.576 -2.334 3.346) 4.120 7.622 ( -1.978 -0.649 6.768) 7.081 7.682 ( 1.684 1.392 10.359) 10.587 7.815 ( -2.282 4.536 -9.439) 10.718 7.892 ( -1.750 2.431 -0.273) 3.008 7.924 ( 0.588 6.388 -1.104) 6.509 8.143 ( -2.902 3.041 -0.992) 4.319 8.194 ( 1.276 0.788 4.913) 5.137 8.252 ( -0.407 -0.642 1.434) 1.623 8.339 ( 3.039 1.956 -2.929) 4.652 8.432 ( -8.512 -6.762 -4.061) 11.605 8.532 ( -5.559 1.023 6.206) 8.394 8.610 ( -1.986 -1.542 -1.698) 3.034 8.770 ( -5.725 -0.579 0.093) 5.755 8.875 ( -2.783 -4.339 -3.527) 6.246 8.911 ( -8.611 -1.792 -4.337) 9.807 8.987 ( -5.872 -3.967 0.223) 7.090 9.169 ( -4.060 -6.912 1.964) 8.253 9.344 ( -0.412 3.196 4.351) 5.414 9.657 ( -2.266 7.819 -3.228) 8.757 9.706 ( 1.196 4.186 -2.484) 5.012 10.002 ( 3.600 10.060 1.716) 10.822 10.125 ( 6.503 3.459 0.781) 7.407 10.423 ( 14.462 2.171 -6.122) 15.854 10.756 ( 14.165 -9.537 3.916) 17.520 10.805 ( -1.787 -6.114 6.754) 9.284 11.045 ( -4.695 -11.894 -1.052) 12.830 ======================= Grid point 186 (76/125) ======================= q-point: (-0.22 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.364 ( 13.366 -11.414 -2.561) 17.762 2.675 ( 10.365 -2.985 10.954) 15.374 2.818 ( 0.379 1.251 8.543) 8.642 3.037 ( 18.535 -9.830 7.471) 22.271 3.263 ( 8.582 -2.398 -15.928) 18.251 3.542 ( -9.533 -0.689 -9.821) 13.704 3.757 ( -2.749 1.789 3.286) 4.643 3.766 ( 0.017 -1.619 -3.463) 3.823 4.069 ( -12.872 -3.287 -2.947) 13.608 4.092 ( -6.570 -2.227 -4.662) 8.358 4.255 ( -1.758 1.916 2.549) 3.642 4.399 ( -6.831 1.162 7.174) 9.974 4.575 ( 4.830 -3.753 -10.098) 11.805 4.669 ( 0.678 0.563 7.379) 7.431 4.844 ( 6.749 1.113 -0.660) 6.872 4.904 ( 5.900 -1.585 5.152) 7.991 5.061 ( -2.824 -0.047 -2.640) 3.866 5.145 ( -10.371 -3.087 -2.263) 11.055 5.329 ( 0.382 0.390 6.737) 6.759 5.534 ( -13.245 5.559 -6.457) 15.749 5.576 ( 1.287 -1.409 5.058) 5.406 5.683 ( -3.757 -0.948 -4.074) 5.622 6.444 ( 3.243 4.603 0.591) 5.662 6.505 ( 0.355 6.218 0.787) 6.278 6.636 ( -1.174 -2.275 -1.335) 2.887 6.672 ( -0.838 -0.669 -2.086) 2.345 6.864 ( -4.048 0.318 0.536) 4.096 6.959 ( -1.078 -1.211 1.953) 2.538 7.098 ( 6.914 -0.449 -0.222) 6.932 7.146 ( -2.242 2.408 -3.656) 4.918 7.202 ( 1.949 -1.669 3.186) 4.091 7.265 ( -2.411 -2.537 0.396) 3.522 7.392 ( -1.781 -0.876 -0.298) 2.007 7.490 ( 3.484 7.140 5.224) 9.508 7.626 ( 0.270 -0.306 4.723) 4.740 7.738 ( 3.113 0.488 9.501) 10.010 7.827 ( 0.645 3.570 -8.859) 9.573 7.927 ( 1.991 3.931 -1.276) 4.588 7.977 ( -0.025 0.586 1.724) 1.821 8.066 ( 8.516 -0.816 -3.980) 9.436 8.208 ( 2.175 0.717 1.301) 2.633 8.303 ( -4.986 7.178 2.170) 9.005 8.373 ( -4.870 1.028 -0.610) 5.014 8.545 ( -7.413 -1.459 4.015) 8.556 8.656 ( -7.820 -1.315 3.249) 8.570 8.686 ( -12.374 -4.584 3.454) 13.640 8.841 ( -6.406 -0.972 -5.216) 8.318 8.881 ( -5.336 -1.573 -5.819) 8.051 8.983 ( -2.910 0.446 -2.407) 3.803 9.066 ( -10.055 -2.524 -4.596) 11.340 9.105 ( -5.102 -7.222 -7.533) 11.616 9.407 ( 2.186 1.022 8.140) 8.491 9.709 ( 5.551 9.169 -2.200) 10.942 9.747 ( 0.456 2.760 0.296) 2.813 9.977 ( 10.791 1.607 2.752) 11.252 10.070 ( 8.557 5.432 2.488) 10.437 10.277 ( 2.599 1.645 -3.675) 4.792 10.541 ( 5.575 -0.562 1.301) 5.752 10.705 ( 1.342 -10.926 -3.249) 11.477 11.102 ( -10.630 -4.979 7.127) 13.732 ======================= Grid point 187 (77/125) ======================= q-point: (-0.11 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( 26.254 0.000 -3.365) 26.469 2.410 ( 27.112 -0.000 6.308) 27.836 2.697 ( 16.956 -0.000 7.522) 18.549 2.923 ( 22.802 0.000 -17.841) 28.953 3.031 ( -10.802 -0.000 15.053) 18.527 3.577 ( -4.829 0.000 -11.008) 12.020 3.587 ( 7.381 0.000 -7.034) 10.196 3.910 ( -5.498 -0.000 3.347) 6.436 4.149 ( -5.841 0.000 -2.615) 6.400 4.289 ( 1.360 -0.000 0.537) 1.462 4.315 ( -14.836 -0.000 2.487) 15.043 4.408 ( 2.643 0.000 -9.303) 9.671 4.558 ( -3.113 -0.000 7.474) 8.097 4.670 ( 3.696 -0.000 3.988) 5.437 4.801 ( -1.817 0.000 -2.300) 2.931 4.809 ( 9.123 -0.000 8.756) 12.645 5.081 ( -3.934 0.000 -4.820) 6.222 5.289 ( -10.892 -0.000 -1.875) 11.052 5.376 ( -2.355 -0.000 3.946) 4.595 5.569 ( 0.635 -0.000 3.637) 3.692 5.686 ( -1.667 0.000 -2.903) 3.347 5.759 ( -13.010 0.000 -3.239) 13.408 6.409 ( 4.041 0.000 -0.531) 4.075 6.538 ( 0.997 -0.000 1.243) 1.593 6.649 ( -2.516 0.000 -1.036) 2.720 6.670 ( -1.186 0.000 -1.762) 2.124 6.943 ( -3.110 -0.000 3.429) 4.629 6.982 ( -1.983 -0.000 0.230) 1.996 7.006 ( 2.263 0.000 -1.257) 2.588 7.112 ( 5.500 0.000 0.229) 5.505 7.173 ( -1.657 0.000 -7.246) 7.433 7.376 ( -9.388 -0.000 3.721) 10.099 7.403 ( -1.601 0.000 -1.812) 2.418 7.427 ( 12.730 -0.000 9.772) 16.048 7.625 ( 12.481 0.000 -6.001) 13.849 7.692 ( -3.627 -0.000 0.545) 3.668 7.814 ( 1.191 0.000 -3.697) 3.884 7.888 ( 5.129 -0.000 5.135) 7.258 7.914 ( 5.520 -0.000 4.089) 6.869 7.994 ( 1.612 0.000 -1.459) 2.174 8.219 ( -1.868 0.000 -0.918) 2.082 8.426 ( -4.793 -0.000 0.744) 4.850 8.496 ( -6.119 -0.000 0.425) 6.134 8.604 ( 0.467 -0.000 1.550) 1.618 8.763 ( -4.329 -0.000 1.406) 4.552 8.769 ( -1.323 -0.000 -0.165) 1.333 8.929 ( -6.495 0.000 -2.910) 7.117 8.934 ( -7.462 0.000 -5.360) 9.188 9.030 ( -4.072 -0.000 0.431) 4.094 9.173 ( -11.103 0.000 -6.402) 12.816 9.174 ( -9.615 0.000 -4.449) 10.595 9.357 ( 6.540 -0.000 1.929) 6.818 9.596 ( 14.037 0.000 -0.262) 14.040 9.796 ( 3.303 -0.000 11.129) 11.608 9.848 ( 6.290 -0.000 4.952) 8.005 9.998 ( -1.099 0.000 -3.877) 4.029 10.341 ( -10.014 -0.000 -1.196) 10.085 10.534 ( -2.175 0.000 -4.834) 5.301 10.595 ( 1.355 0.000 -1.670) 2.151 11.280 ( -10.898 -0.000 6.972) 12.937 ======================= Grid point 188 (78/125) ======================= q-point: ( 0.00 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( 26.784 -0.000 0.000) 26.784 2.453 ( 29.721 -0.000 0.000) 29.721 2.739 ( 17.141 -0.000 0.000) 17.141 2.819 ( 22.213 -0.000 0.000) 22.213 3.121 ( -14.568 0.000 -0.000) 14.568 3.508 ( -3.332 0.000 -0.000) 3.332 3.550 ( 7.207 -0.000 0.000) 7.207 3.934 ( -2.984 0.000 -0.000) 2.984 4.130 ( -7.208 0.000 -0.000) 7.208 4.300 ( 6.325 -0.000 0.000) 6.325 4.326 ( -16.612 0.000 -0.000) 16.612 4.349 ( -1.530 0.000 -0.000) 1.530 4.598 ( -1.083 0.000 -0.000) 1.083 4.702 ( 3.563 -0.000 0.000) 3.563 4.778 ( -1.041 0.000 -0.000) 1.041 4.863 ( 7.506 -0.000 0.000) 7.506 5.048 ( -4.134 0.000 -0.000) 4.134 5.278 ( -11.208 0.000 -0.000) 11.208 5.399 ( -1.476 0.000 -0.000) 1.476 5.588 ( 0.419 -0.000 0.000) 0.419 5.669 ( -1.591 0.000 -0.000) 1.591 5.741 ( -13.915 0.000 -0.000) 13.915 6.406 ( 4.324 -0.000 0.000) 4.324 6.544 ( 1.056 -0.000 0.000) 1.056 6.643 ( -2.511 0.000 -0.000) 2.511 6.661 ( -1.233 0.000 -0.000) 1.233 6.968 ( -6.182 0.000 -0.000) 6.182 6.983 ( -1.724 0.000 -0.000) 1.724 6.993 ( 4.755 -0.000 0.000) 4.755 7.112 ( 5.925 -0.000 0.000) 5.925 7.135 ( -0.785 0.000 -0.000) 0.785 7.393 ( -1.004 0.000 -0.000) 1.004 7.398 ( -8.685 0.000 -0.000) 8.685 7.513 ( 7.665 -0.000 0.000) 7.665 7.557 ( 20.270 -0.000 0.000) 20.270 7.692 ( -3.811 0.000 -0.000) 3.811 7.794 ( -0.793 0.000 -0.000) 0.793 7.928 ( 2.381 -0.000 0.000) 2.381 7.938 ( 4.721 -0.000 0.000) 4.721 7.978 ( 2.801 -0.000 0.000) 2.801 8.214 ( -0.668 0.000 -0.000) 0.668 8.431 ( -5.264 0.000 -0.000) 5.264 8.498 ( -6.008 0.000 -0.000) 6.008 8.608 ( 3.213 -0.000 0.000) 3.213 8.769 ( -0.678 0.000 -0.000) 0.678 8.773 ( -1.211 0.000 -0.000) 1.211 8.899 ( -9.525 0.000 -0.000) 9.525 8.917 ( -9.473 0.000 -0.000) 9.473 9.035 ( -0.958 0.000 -0.000) 0.958 9.135 ( -14.217 0.000 -0.000) 14.217 9.153 ( -9.353 0.000 -0.000) 9.353 9.367 ( 7.390 -0.000 0.000) 7.390 9.594 ( 13.549 -0.000 0.000) 13.549 9.874 ( 5.243 -0.000 0.000) 5.243 9.885 ( -11.794 0.000 -0.000) 11.794 9.944 ( 13.856 -0.000 0.000) 13.856 10.341 ( -10.994 0.000 -0.000) 10.994 10.506 ( -1.960 0.000 -0.000) 1.960 10.586 ( 1.955 -0.000 0.000) 1.955 11.316 ( -11.226 0.000 -0.000) 11.226 ======================= Grid point 192 (79/125) ======================= q-point: ( 0.44 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( 0.000 22.262 17.834) 28.524 1.760 ( 0.000 22.808 30.063) 37.736 2.722 ( 0.000 12.393 -8.286) 14.908 2.866 ( 0.000 30.455 -0.297) 30.456 3.017 ( 0.000 18.787 -18.548) 26.400 3.490 ( -0.000 -5.390 1.600) 5.622 3.550 ( -0.000 -0.892 0.384) 0.971 3.978 ( 0.000 -1.821 10.570) 10.726 4.047 ( 0.000 -5.061 8.202) 9.638 4.072 ( -0.000 -5.157 2.059) 5.553 4.297 ( -0.000 -10.482 1.002) 10.530 4.640 ( -0.000 8.051 -21.014) 22.504 4.675 ( -0.000 3.585 -7.371) 8.196 4.776 ( 0.000 3.169 0.588) 3.223 4.861 ( 0.000 2.754 2.870) 3.977 4.949 ( -0.000 -2.769 3.281) 4.293 5.017 ( 0.000 6.423 4.340) 7.752 5.339 ( -0.000 -9.057 -9.995) 13.488 5.577 ( 0.000 -3.528 5.178) 6.266 5.640 ( -0.000 -26.606 0.413) 26.609 5.678 ( -0.000 -21.034 -0.665) 21.044 5.753 ( -0.000 -1.365 -6.656) 6.794 6.125 ( 0.000 4.971 3.508) 6.084 6.239 ( 0.000 7.274 0.354) 7.282 6.655 ( -0.000 -3.255 0.401) 3.280 6.710 ( 0.000 1.429 0.163) 1.439 6.784 ( -0.000 -0.979 -0.933) 1.352 6.948 ( 0.000 2.600 -0.932) 2.762 6.989 ( -0.000 -2.707 1.927) 3.322 7.004 ( -0.000 -2.318 1.744) 2.901 7.227 ( 0.000 4.838 -0.971) 4.934 7.234 ( 0.000 6.862 -3.208) 7.575 7.499 ( 0.000 5.258 -2.945) 6.027 7.512 ( 0.000 3.579 0.356) 3.596 7.618 ( 0.000 1.418 0.070) 1.420 7.669 ( -0.000 -6.058 -0.583) 6.086 7.752 ( 0.000 0.170 2.874) 2.879 7.812 ( 0.000 -0.413 6.805) 6.817 7.931 ( -0.000 -4.887 -2.656) 5.562 7.977 ( 0.000 6.819 10.231) 12.295 8.025 ( -0.000 -6.090 2.840) 6.720 8.351 ( -0.000 -2.101 -7.340) 7.634 8.352 ( 0.000 -5.482 9.916) 11.331 8.449 ( 0.000 -0.482 6.049) 6.068 8.519 ( -0.000 -1.939 -3.578) 4.070 8.679 ( -0.000 -0.192 -0.562) 0.593 8.705 ( -0.000 -3.140 -9.113) 9.639 8.736 ( 0.000 0.797 2.562) 2.683 8.836 ( -0.000 -3.499 4.631) 5.804 8.909 ( -0.000 -12.674 1.094) 12.721 8.996 ( -0.000 -0.183 -1.289) 1.302 9.477 ( -0.000 -8.275 -13.826) 16.113 9.623 ( -0.000 4.929 -8.900) 10.174 9.746 ( -0.000 -6.495 -9.922) 11.859 9.963 ( 0.000 4.050 14.503) 15.058 10.346 ( 0.000 -5.456 8.772) 10.330 10.444 ( 0.000 4.418 10.343) 11.247 10.910 ( -0.000 4.885 -15.633) 16.378 11.458 ( -0.000 -14.478 6.289) 15.785 11.459 ( 0.000 -1.688 8.564) 8.729 ======================= Grid point 193 (80/125) ======================= q-point: ( 0.56 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( -12.582 16.164 13.342) 24.446 2.214 ( -9.052 19.588 25.158) 33.145 2.717 ( -9.648 -1.514 -13.746) 16.862 3.097 ( -0.814 13.865 -13.948) 19.684 3.309 ( 0.026 17.234 -4.685) 17.859 3.410 ( 1.811 3.382 11.632) 12.249 3.604 ( -8.658 -1.074 -2.801) 9.163 3.968 ( 2.008 -6.232 6.036) 8.905 4.036 ( -2.395 -8.578 0.488) 8.920 4.090 ( -5.128 -2.033 6.501) 8.526 4.189 ( 2.885 -5.361 7.716) 9.829 4.523 ( 7.752 3.534 -13.704) 16.137 4.701 ( -6.193 -5.091 -6.355) 10.230 4.799 ( -0.130 3.597 -6.583) 7.503 4.880 ( 1.866 3.746 0.504) 4.215 5.003 ( 1.140 8.326 2.974) 8.914 5.094 ( 1.845 -2.637 9.014) 9.572 5.185 ( 1.925 -5.817 -7.196) 9.451 5.323 ( 0.642 -22.598 -0.150) 22.608 5.445 ( -1.049 -20.172 -1.761) 20.276 5.576 ( -0.755 -4.045 2.379) 4.753 5.706 ( -0.301 -2.473 -3.407) 4.220 6.202 ( 0.705 7.614 2.011) 7.907 6.314 ( -0.431 6.301 -1.606) 6.517 6.655 ( -2.579 -2.235 0.771) 3.499 6.714 ( -0.338 -1.485 -1.964) 2.485 6.796 ( -0.532 1.451 1.909) 2.456 6.939 ( 0.467 -1.071 0.353) 1.221 7.000 ( -2.173 -1.586 2.503) 3.674 7.011 ( -0.725 2.646 0.647) 2.819 7.265 ( -0.155 1.558 -1.268) 2.015 7.288 ( -0.776 5.168 -1.033) 5.327 7.502 ( 3.458 -0.356 0.854) 3.580 7.520 ( 0.653 2.760 -1.637) 3.274 7.580 ( 2.447 -3.802 -1.370) 4.724 7.654 ( -2.084 0.251 -2.236) 3.067 7.751 ( -0.483 1.401 0.484) 1.559 7.826 ( 4.124 2.847 5.927) 7.761 7.916 ( -1.688 -3.037 0.844) 3.575 7.979 ( -2.151 -3.261 2.702) 4.750 8.135 ( -4.756 4.086 4.154) 7.521 8.316 ( 0.273 -6.999 6.054) 9.258 8.335 ( -3.649 -2.178 -3.099) 5.259 8.453 ( 3.122 -3.152 5.895) 7.378 8.548 ( -0.488 7.159 -0.854) 7.226 8.604 ( 0.397 -4.167 -6.457) 7.695 8.641 ( 2.004 -3.138 -0.547) 3.764 8.777 ( -2.894 -0.588 1.563) 3.342 8.826 ( -0.582 -1.936 2.110) 2.922 8.890 ( -6.269 0.301 4.725) 7.856 9.050 ( -2.031 4.901 -0.608) 5.340 9.325 ( -1.862 -9.137 -9.616) 13.395 9.620 ( 0.739 -1.235 -6.255) 6.419 9.664 ( -3.408 -1.358 -9.418) 10.107 10.025 ( 4.545 0.197 10.834) 11.751 10.237 ( 8.646 0.800 7.761) 11.646 10.616 ( -6.180 1.150 5.505) 8.356 10.828 ( 5.877 3.092 -10.423) 12.359 11.312 ( 2.424 -14.532 4.382) 15.371 11.380 ( 7.853 -6.986 4.436) 11.408 ======================= Grid point 194 (81/125) ======================= q-point: ( 0.67 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( -14.406 3.025 3.777) 15.197 2.661 ( -9.719 12.105 20.652) 25.836 2.865 ( -9.414 4.194 1.515) 10.417 3.187 ( -2.934 9.072 -12.586) 15.789 3.283 ( -0.909 3.812 -10.507) 11.214 3.439 ( -0.596 -9.761 2.861) 10.189 3.733 ( -0.741 -2.832 0.690) 3.008 3.862 ( 0.225 -7.809 -2.103) 8.090 4.010 ( 1.313 2.144 5.341) 5.903 4.148 ( -6.347 -9.732 8.977) 14.682 4.238 ( -3.553 4.072 -1.169) 5.529 4.325 ( 10.004 -5.632 -2.964) 11.856 4.705 ( -5.478 -7.704 2.232) 9.713 4.762 ( 2.213 -3.267 -7.417) 8.401 4.923 ( -2.150 3.798 -0.443) 4.387 4.966 ( -1.481 -7.557 -0.272) 7.706 5.088 ( 2.922 6.158 0.750) 6.857 5.103 ( -2.074 -9.229 -4.273) 10.380 5.145 ( 0.554 -8.184 -1.170) 8.285 5.351 ( -0.600 -1.316 3.237) 3.546 5.567 ( -0.914 -0.352 0.050) 0.981 5.671 ( -0.073 -2.685 -0.662) 2.767 6.293 ( 0.503 9.924 0.665) 9.959 6.374 ( 0.806 6.793 -1.310) 6.965 6.670 ( -1.777 -2.194 -0.149) 2.827 6.690 ( -0.790 -2.586 -1.091) 2.916 6.806 ( 0.235 -0.422 -0.228) 0.534 6.957 ( -1.157 0.168 3.831) 4.006 7.023 ( -1.421 0.080 1.667) 2.192 7.105 ( -3.246 7.329 1.189) 8.104 7.242 ( 0.915 -1.030 -1.416) 1.976 7.327 ( 3.840 1.505 -1.716) 4.467 7.439 ( 2.033 -2.710 1.241) 3.608 7.508 ( -1.034 -2.654 -0.582) 2.907 7.575 ( -3.322 1.493 4.937) 6.135 7.674 ( -0.754 3.496 -5.741) 6.764 7.772 ( 1.948 1.057 4.000) 4.573 7.848 ( 1.059 6.186 -0.106) 6.277 7.901 ( 1.057 -1.172 2.445) 2.910 8.038 ( -7.086 -2.028 1.985) 7.633 8.229 ( -3.311 0.575 -2.226) 4.031 8.261 ( -0.971 -6.648 2.562) 7.190 8.361 ( 4.547 -0.274 0.552) 4.588 8.386 ( -3.752 -2.340 0.647) 4.469 8.513 ( -0.933 -3.936 -3.943) 5.649 8.602 ( 1.059 1.599 2.780) 3.377 8.685 ( -3.401 4.362 2.018) 5.888 8.822 ( -4.652 -2.362 0.246) 5.223 8.858 ( -2.212 -0.267 -0.699) 2.336 8.974 ( -3.410 -3.925 -1.584) 5.435 9.161 ( -4.334 5.107 6.304) 9.198 9.277 ( -5.665 -4.226 -3.351) 7.822 9.570 ( 0.186 0.768 -4.055) 4.131 9.668 ( -1.732 0.517 -4.737) 5.070 9.979 ( 4.810 3.401 1.812) 6.163 10.205 ( 7.764 5.388 8.228) 12.530 10.568 ( 11.592 2.656 -9.535) 15.243 10.835 ( -5.254 -1.858 7.700) 9.505 11.089 ( 10.558 -11.871 1.286) 15.939 11.171 ( 5.175 -12.540 -0.127) 13.566 ======================= Grid point 195 (82/125) ======================= q-point: (-0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.472 ( -13.305 -9.831 -0.309) 16.546 2.836 ( 11.572 3.658 10.252) 15.887 2.973 ( 2.684 0.782 10.512) 10.878 3.278 ( -1.750 -5.778 -14.046) 15.289 3.307 ( -5.490 2.016 -8.349) 10.193 3.369 ( 1.582 2.853 5.308) 6.230 3.680 ( -7.207 -6.522 1.791) 9.883 3.807 ( 1.221 -1.077 -2.922) 3.345 3.950 ( 0.853 -8.453 1.504) 8.628 4.111 ( 1.581 -4.670 -4.533) 6.697 4.208 ( -4.256 -2.339 0.706) 4.908 4.354 ( -4.605 -1.251 8.325) 9.596 4.618 ( 0.752 -7.567 -10.356) 12.848 4.719 ( -0.165 -2.449 4.742) 5.340 4.942 ( 6.161 2.719 1.158) 6.833 4.975 ( -6.158 -4.605 0.742) 7.726 4.996 ( -0.163 -4.377 0.103) 4.381 5.107 ( -0.211 -2.692 0.257) 2.713 5.219 ( -12.997 6.290 -7.842) 16.431 5.373 ( 2.350 2.618 5.109) 6.203 5.598 ( -2.284 1.419 -0.755) 2.792 5.644 ( 0.411 -1.868 0.495) 1.975 6.405 ( 0.287 10.256 0.618) 10.279 6.426 ( 1.421 7.231 -0.394) 7.379 6.660 ( -0.518 -4.099 -0.490) 4.160 6.664 ( -0.494 -1.256 -0.931) 1.640 6.810 ( -2.295 -0.245 -0.830) 2.453 6.977 ( -0.448 -1.641 2.221) 2.797 7.071 ( -1.472 2.728 1.171) 3.314 7.212 ( 4.746 -0.413 -2.246) 5.266 7.220 ( -0.383 0.563 2.212) 2.315 7.290 ( -1.407 8.080 1.510) 8.340 7.351 ( 2.934 -3.876 -0.807) 4.928 7.494 ( 1.277 -2.664 2.151) 3.654 7.701 ( 1.578 1.701 4.263) 4.853 7.707 ( -4.209 5.150 -4.043) 7.784 7.778 ( 0.087 3.117 5.333) 6.177 7.906 ( -2.299 -0.326 3.014) 3.804 7.916 ( -0.097 6.574 -0.613) 6.603 8.110 ( 0.349 1.834 -6.216) 6.491 8.244 ( 1.056 -0.683 4.110) 4.298 8.263 ( -0.359 -1.511 0.921) 1.805 8.300 ( -3.242 -0.172 -3.044) 4.450 8.395 ( -10.139 -7.167 -2.856) 12.741 8.569 ( -4.569 3.130 -0.121) 5.540 8.635 ( -1.720 0.240 6.206) 6.444 8.777 ( -2.950 0.502 1.568) 3.378 8.849 ( -2.143 -5.298 -1.151) 5.830 8.877 ( -7.528 -3.028 -2.208) 8.410 8.950 ( -5.890 -5.295 -7.057) 10.608 9.184 ( -0.899 -11.062 1.383) 11.184 9.415 ( -2.021 9.625 8.336) 12.892 9.602 ( -0.698 8.524 -7.063) 11.092 9.692 ( -2.886 0.645 -0.500) 2.999 10.015 ( 1.976 10.420 0.912) 10.645 10.146 ( 11.027 3.698 2.726) 11.946 10.366 ( 13.471 5.058 -4.780) 15.162 10.778 ( 11.992 -9.936 1.062) 15.609 10.867 ( 4.092 -10.495 4.437) 12.107 11.037 ( -8.597 -8.361 -0.406) 11.999 ======================= Grid point 196 (83/125) ======================= q-point: (-0.11 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.346 ( 14.211 -11.870 -0.934) 18.540 2.791 ( 10.894 -2.927 10.897) 15.684 2.867 ( 0.855 2.150 -0.904) 2.484 3.093 ( 18.713 -5.732 3.185) 19.829 3.135 ( 6.571 -6.383 -7.527) 11.857 3.463 ( -6.941 -1.620 -4.563) 8.462 3.719 ( 9.164 -1.211 -3.005) 9.720 3.807 ( -6.567 2.223 3.631) 7.827 4.044 ( -17.942 -1.837 -1.128) 18.071 4.057 ( -7.439 -5.512 -2.470) 9.582 4.279 ( -2.638 4.457 1.617) 5.425 4.420 ( 3.144 0.965 -2.169) 3.939 4.529 ( -5.516 -5.372 0.629) 7.726 4.724 ( 1.998 2.031 3.065) 4.184 4.837 ( 7.610 0.875 -0.500) 7.676 4.950 ( 2.481 -3.219 3.341) 5.262 5.031 ( -0.468 -0.043 -2.611) 2.653 5.126 ( -10.501 -3.703 -1.130) 11.192 5.382 ( 1.714 1.964 3.149) 4.088 5.481 ( -14.590 5.556 -3.194) 15.936 5.612 ( 1.419 -1.522 1.791) 2.746 5.652 ( -4.216 -1.123 -1.706) 4.685 6.448 ( 3.567 4.235 0.282) 5.544 6.510 ( 0.312 7.226 0.288) 7.238 6.627 ( -1.200 -2.586 -0.398) 2.878 6.656 ( -0.698 -0.923 -0.822) 1.420 6.869 ( -5.384 0.392 0.246) 5.404 6.972 ( -0.658 -1.510 0.600) 1.753 7.095 ( 6.847 -0.705 -0.152) 6.884 7.115 ( 0.336 2.677 -1.874) 3.285 7.224 ( 4.224 -3.343 0.837) 5.452 7.284 ( -5.088 -1.194 2.051) 5.614 7.387 ( -0.903 -0.430 -0.402) 1.078 7.529 ( 1.012 10.155 2.058) 10.410 7.667 ( 2.703 -1.677 2.475) 4.031 7.745 ( -1.142 3.721 -4.458) 5.918 7.826 ( 10.170 -0.032 5.595) 11.608 7.921 ( 3.413 4.001 -0.239) 5.264 7.991 ( -1.072 0.337 0.856) 1.413 8.017 ( 0.842 -1.834 -4.402) 4.843 8.219 ( 2.335 0.781 0.673) 2.552 8.328 ( -4.389 7.220 2.510) 8.815 8.359 ( -4.962 1.085 -2.052) 5.478 8.597 ( -5.699 1.181 5.896) 8.285 8.663 ( -16.611 -1.297 -3.116) 16.950 8.724 ( -4.507 0.114 3.816) 5.907 8.792 ( -2.038 -2.059 -4.153) 5.063 8.843 ( -8.872 -11.033 -0.323) 14.162 8.965 ( -5.094 1.615 -0.731) 5.393 8.989 ( -8.496 -0.952 -6.787) 10.916 9.084 ( -2.570 -7.505 0.011) 7.932 9.474 ( 5.438 0.077 4.122) 6.824 9.678 ( 2.016 10.265 -2.516) 10.759 9.756 ( -1.250 1.807 0.680) 2.300 9.999 ( 10.352 1.663 1.223) 10.555 10.086 ( 8.135 9.099 0.710) 12.226 10.253 ( 2.845 2.324 -1.093) 3.832 10.555 ( 5.071 -6.118 1.043) 8.014 10.674 ( 3.954 -8.744 -2.057) 9.814 11.154 ( -12.007 -4.201 2.706) 13.005 ======================= Grid point 202 (84/125) ======================= q-point: ( 0.56 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( -0.000 17.519 22.681) 28.659 2.066 ( -0.000 19.382 28.239) 34.251 2.525 ( 0.000 3.881 -23.264) 23.585 2.822 ( -0.000 19.981 -19.770) 28.109 2.997 ( -0.000 37.795 19.722) 42.631 3.514 ( -0.000 -1.292 -7.115) 7.231 3.531 ( -0.000 -5.094 6.548) 8.296 4.035 ( -0.000 1.828 -13.485) 13.608 4.068 ( 0.000 -4.889 7.103) 8.623 4.115 ( -0.000 -1.629 5.020) 5.278 4.329 ( -0.000 -6.375 4.542) 7.828 4.492 ( 0.000 -0.956 -2.465) 2.644 4.586 ( -0.000 2.384 -9.809) 10.094 4.763 ( 0.000 -2.804 -3.477) 4.467 4.898 ( -0.000 2.781 4.107) 4.961 4.991 ( -0.000 3.153 3.979) 5.077 5.062 ( -0.000 6.936 3.975) 7.994 5.217 ( 0.000 -4.785 -12.830) 13.693 5.620 ( -0.000 -3.573 3.339) 4.890 5.645 ( -0.000 -26.189 0.557) 26.195 5.670 ( -0.000 -22.091 -0.871) 22.108 5.700 ( -0.000 -1.217 -3.817) 4.007 6.160 ( 0.000 3.792 3.432) 5.115 6.237 ( -0.000 5.211 -0.802) 5.273 6.662 ( -0.000 -2.448 0.856) 2.593 6.705 ( -0.000 0.023 -1.195) 1.195 6.791 ( -0.000 0.558 2.452) 2.514 6.927 ( 0.000 2.886 -3.287) 4.374 7.008 ( -0.000 -2.133 1.680) 2.716 7.019 ( -0.000 -1.786 1.148) 2.123 7.211 ( -0.000 7.433 -1.251) 7.537 7.219 ( -0.000 4.859 -0.665) 4.905 7.465 ( -0.000 4.641 -2.580) 5.310 7.504 ( -0.000 3.916 -1.891) 4.349 7.626 ( -0.000 -0.624 1.040) 1.213 7.661 ( -0.000 -4.925 -0.944) 5.014 7.778 ( -0.000 -4.581 2.487) 5.212 7.890 ( -0.000 -6.273 -4.713) 7.846 7.910 ( -0.000 1.752 11.559) 11.691 8.067 ( -0.000 -5.940 4.551) 7.483 8.073 ( 0.000 4.710 8.119) 9.386 8.262 ( -0.000 -0.386 -9.450) 9.458 8.463 ( -0.000 -8.396 9.078) 12.366 8.486 ( -0.000 3.255 -0.052) 3.255 8.514 ( 0.000 -1.094 5.156) 5.271 8.614 ( 0.000 -1.981 -7.730) 7.979 8.673 ( -0.000 -0.803 -0.622) 1.016 8.754 ( -0.000 -1.891 0.226) 1.904 8.901 ( -0.000 -3.252 7.547) 8.218 8.918 ( 0.000 -8.596 1.272) 8.689 8.965 ( 0.000 1.077 -4.141) 4.278 9.313 ( -0.000 -3.639 -16.845) 17.234 9.574 ( 0.000 -0.554 -2.063) 2.136 9.656 ( -0.000 -6.414 -7.484) 9.856 10.121 ( -0.000 3.531 16.183) 16.564 10.414 ( -0.000 -5.173 3.965) 6.518 10.529 ( -0.000 3.106 6.471) 7.178 10.754 ( -0.000 6.421 -14.505) 15.863 11.519 ( 0.000 -12.773 5.256) 13.812 11.530 ( 0.000 -4.216 5.179) 6.678 ======================= Grid point 203 (85/125) ======================= q-point: ( 0.67 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( -8.921 10.866 13.856) 19.739 2.444 ( -9.774 15.474 13.879) 22.970 2.596 ( -12.591 6.163 -3.478) 14.444 2.935 ( -3.136 15.148 -17.461) 23.328 3.260 ( 8.304 6.977 -3.701) 11.460 3.543 ( -1.155 -6.137 5.448) 8.287 3.608 ( -7.501 14.292 10.998) 19.532 3.967 ( 0.516 -6.999 -7.815) 10.504 4.045 ( -0.097 -2.814 3.680) 4.633 4.138 ( -2.546 1.226 -0.966) 2.986 4.267 ( 2.621 -5.536 6.710) 9.085 4.421 ( 4.833 0.667 -2.447) 5.458 4.630 ( -8.690 -2.102 -5.926) 10.726 4.716 ( -4.558 -4.503 -9.285) 11.281 4.906 ( 4.736 2.411 3.231) 6.219 5.021 ( 2.560 4.115 -0.026) 4.846 5.126 ( 2.477 2.726 -3.464) 5.057 5.186 ( -0.688 -1.418 7.988) 8.142 5.318 ( 2.218 -22.953 -1.046) 23.084 5.424 ( -1.028 -20.606 -2.165) 20.745 5.589 ( 1.259 -2.869 0.299) 3.147 5.685 ( -2.172 -3.234 -0.903) 3.999 6.222 ( 1.012 6.443 1.804) 6.767 6.295 ( -0.789 5.760 -1.832) 6.096 6.664 ( -1.878 -1.860 1.102) 2.863 6.694 ( -0.732 -1.654 -1.825) 2.570 6.823 ( 0.895 1.105 2.918) 3.246 6.939 ( -0.752 2.589 -0.431) 2.730 7.010 ( -0.952 2.246 -0.502) 2.491 7.023 ( -1.477 -1.718 1.565) 2.753 7.258 ( 0.475 0.888 -0.127) 1.015 7.281 ( -1.732 5.853 -0.357) 6.115 7.474 ( 2.706 0.746 -3.432) 4.433 7.525 ( -1.670 2.996 0.675) 3.496 7.567 ( 3.735 -4.155 -0.980) 5.673 7.647 ( -0.633 -0.812 0.028) 1.030 7.755 ( -0.206 3.245 0.338) 3.269 7.844 ( -0.974 -3.993 -1.228) 4.290 7.948 ( 0.959 -0.233 4.864) 4.963 8.034 ( -0.684 -3.855 7.015) 8.033 8.155 ( -2.425 1.003 -0.919) 2.781 8.275 ( -5.590 -1.351 -4.390) 7.235 8.378 ( -0.989 -7.957 2.814) 8.497 8.473 ( 1.412 -5.487 -3.037) 6.428 8.567 ( 1.612 -4.092 1.740) 4.729 8.586 ( 2.276 9.488 6.140) 11.528 8.636 ( 1.040 -1.046 -0.959) 1.759 8.796 ( -3.688 0.259 1.981) 4.195 8.842 ( 0.938 -0.184 1.175) 1.515 8.926 ( -1.879 0.954 0.624) 2.198 9.044 ( -5.572 2.487 1.500) 6.283 9.228 ( -6.423 -6.749 -9.173) 13.075 9.571 ( -0.073 -2.041 -3.227) 3.819 9.582 ( -2.210 0.297 -5.937) 6.342 10.130 ( 8.828 -3.436 8.310) 12.601 10.316 ( 6.074 1.753 7.944) 10.153 10.603 ( 3.857 3.913 -7.690) 9.451 10.773 ( -5.298 1.843 -0.362) 5.621 11.353 ( 6.106 -12.924 3.460) 14.707 11.411 ( 7.185 -9.407 1.605) 11.945 ======================= Grid point 204 (86/125) ======================= q-point: ( 0.78 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.317 ( -13.029 -1.169 1.494) 13.166 2.844 ( -13.176 12.645 10.540) 21.086 2.922 ( -13.518 5.071 12.174) 18.886 3.065 ( -1.823 12.099 -10.593) 16.184 3.138 ( 4.201 3.611 -14.170) 15.214 3.485 ( 0.256 -9.456 3.341) 10.032 3.749 ( 1.465 -5.850 2.079) 6.379 3.831 ( 1.274 -6.441 -3.003) 7.220 4.077 ( 1.122 1.587 7.218) 7.475 4.165 ( 3.961 2.944 -7.994) 9.395 4.219 ( -4.087 -8.897 2.874) 10.203 4.362 ( 0.286 -2.450 5.435) 5.969 4.653 ( -0.623 -3.229 -6.806) 7.559 4.737 ( -8.764 -9.315 -0.096) 12.790 4.910 ( -5.830 0.403 -1.008) 5.930 4.980 ( 1.364 -2.801 1.591) 3.498 5.053 ( 0.581 -8.174 -2.639) 8.609 5.118 ( 2.473 -8.409 1.784) 8.945 5.137 ( 2.519 -0.564 -0.552) 2.640 5.377 ( -0.300 3.299 1.553) 3.659 5.558 ( -0.113 -0.062 -0.917) 0.926 5.673 ( -0.922 -3.038 0.344) 3.193 6.298 ( 0.580 9.445 0.294) 9.467 6.363 ( 0.391 7.009 -0.652) 7.050 6.669 ( -0.800 -1.860 -0.063) 2.025 6.682 ( -1.760 -3.160 -0.363) 3.635 6.804 ( 1.047 -0.790 -0.120) 1.317 6.992 ( -0.294 0.606 2.526) 2.615 7.036 ( -0.743 2.100 0.646) 2.319 7.106 ( -4.309 7.836 -0.523) 8.958 7.239 ( 0.652 -1.336 0.500) 1.568 7.308 ( 4.550 0.494 -1.608) 4.851 7.451 ( 2.982 -3.260 1.084) 4.549 7.488 ( -4.802 0.984 -2.208) 5.377 7.619 ( -0.346 1.913 2.640) 3.279 7.642 ( -2.017 4.209 -0.785) 4.733 7.797 ( 0.448 -1.454 0.926) 1.781 7.830 ( -0.173 5.808 -1.698) 6.054 7.937 ( 0.787 -2.538 2.894) 3.930 8.075 ( -3.132 -2.037 4.483) 5.836 8.170 ( -5.543 -1.580 -6.595) 8.759 8.300 ( -1.085 -4.383 3.982) 6.021 8.341 ( 2.129 -2.452 -3.565) 4.822 8.408 ( 0.231 -5.964 3.147) 6.747 8.465 ( -3.662 -1.770 -4.472) 6.045 8.648 ( -0.040 1.553 3.286) 3.635 8.716 ( -1.341 7.318 3.392) 8.177 8.820 ( -3.022 -3.028 -0.829) 4.357 8.853 ( 0.522 0.497 0.071) 0.724 8.947 ( -3.268 -6.183 -2.694) 7.494 9.209 ( -6.959 9.496 2.733) 12.086 9.255 ( -7.319 -6.994 -1.005) 10.173 9.545 ( 0.754 1.387 -1.026) 1.883 9.621 ( -3.292 1.980 -3.273) 5.047 9.999 ( 6.806 2.511 1.365) 7.381 10.287 ( 8.466 2.753 6.486) 11.015 10.475 ( 12.153 6.122 -7.114) 15.355 10.894 ( -7.491 -1.870 3.204) 8.359 11.096 ( 9.007 -13.412 0.327) 16.159 11.168 ( 8.944 -12.135 -0.234) 15.077 ======================= Grid point 205 (87/125) ======================= q-point: (-0.11 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.470 ( -13.414 -10.436 -0.000) 16.995 2.891 ( 16.716 4.633 0.000) 17.346 3.094 ( 1.885 -4.701 0.000) 5.065 3.136 ( -5.361 -1.171 -0.000) 5.487 3.258 ( -5.057 6.820 -0.000) 8.491 3.407 ( 2.100 -0.927 0.000) 2.296 3.693 ( -8.918 -5.637 -0.000) 10.550 3.783 ( -0.132 -1.157 0.000) 1.164 3.963 ( 6.317 -7.439 0.000) 9.759 4.084 ( -1.619 -6.667 0.000) 6.861 4.210 ( -2.470 -2.262 -0.000) 3.350 4.419 ( -3.258 0.530 -0.000) 3.301 4.546 ( -1.829 -10.600 0.000) 10.757 4.743 ( -0.322 -1.927 0.000) 1.954 4.953 ( 7.581 2.308 0.000) 7.925 4.974 ( -6.164 -3.167 -0.000) 6.930 4.998 ( -2.778 -8.105 -0.000) 8.568 5.109 ( 1.300 -1.960 0.000) 2.352 5.175 ( -13.812 7.115 -0.000) 15.537 5.401 ( 2.982 3.805 0.000) 4.835 5.587 ( -2.828 1.334 -0.000) 3.126 5.652 ( 0.546 -1.819 0.000) 1.899 6.409 ( -0.092 10.810 -0.000) 10.810 6.423 ( 1.512 6.861 -0.000) 7.026 6.658 ( -0.443 -4.222 0.000) 4.245 6.659 ( -0.448 -1.410 0.000) 1.479 6.806 ( -2.441 -0.265 -0.000) 2.455 6.988 ( -0.068 -1.728 0.000) 1.729 7.078 ( -0.234 3.187 -0.000) 3.196 7.199 ( 4.878 0.115 0.000) 4.879 7.235 ( -1.764 -1.086 -0.000) 2.072 7.295 ( -2.391 10.543 -0.000) 10.811 7.348 ( 3.992 -4.620 0.000) 6.105 7.505 ( 1.761 -2.806 0.000) 3.313 7.660 ( -0.968 6.654 -0.000) 6.724 7.754 ( 4.017 -0.094 0.000) 4.018 7.802 ( -5.518 6.299 -0.000) 8.374 7.908 ( -1.141 7.238 -0.000) 7.328 7.948 ( -5.763 -2.850 -0.000) 6.429 8.050 ( 6.305 0.541 0.000) 6.328 8.260 ( 2.747 -0.758 0.000) 2.849 8.280 ( 1.081 -1.320 0.000) 1.707 8.283 ( -8.660 -1.172 -0.000) 8.739 8.379 ( -12.619 -7.998 -0.000) 14.941 8.565 ( -3.410 4.994 -0.000) 6.048 8.672 ( -1.874 -0.249 -0.000) 1.890 8.794 ( 2.648 4.094 0.000) 4.875 8.864 ( -5.784 -1.826 -0.000) 6.066 8.865 ( -6.568 -1.230 -0.000) 6.683 8.879 ( -6.341 -15.158 -0.000) 16.431 9.192 ( 0.039 -11.085 0.000) 11.085 9.482 ( -4.706 17.509 -0.000) 18.130 9.541 ( 2.072 1.306 0.000) 2.450 9.690 ( -4.531 0.798 -0.000) 4.600 10.020 ( 1.753 10.460 -0.000) 10.606 10.164 ( 12.797 2.696 0.000) 13.078 10.338 ( 12.608 6.894 0.000) 14.370 10.783 ( 10.336 -10.456 0.000) 14.702 10.890 ( 8.921 -12.174 0.000) 15.093 11.036 ( -11.775 -6.529 -0.000) 13.464 ======================= Grid point 212 (88/125) ======================= q-point: ( 0.67 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.968 ( -0.000 12.649 24.839) 27.875 2.204 ( -0.000 9.532 -15.864) 18.508 2.405 ( -0.000 18.507 14.912) 23.768 2.614 ( -0.000 20.549 -21.178) 29.509 3.219 ( 0.000 23.639 21.920) 32.238 3.407 ( 0.000 6.210 -14.285) 15.577 3.632 ( -0.000 0.039 14.081) 14.081 3.826 ( -0.000 7.617 -22.988) 24.217 4.123 ( -0.000 -6.037 3.730) 7.096 4.142 ( -0.000 -4.573 0.192) 4.577 4.387 ( -0.000 -1.245 7.711) 7.811 4.482 ( -0.000 1.253 -10.269) 10.346 4.574 ( 0.000 -9.430 13.184) 16.209 4.697 ( 0.000 -8.069 -9.689) 12.609 4.946 ( 0.000 2.539 5.586) 6.136 5.002 ( 0.000 2.315 -3.328) 4.054 5.091 ( -0.000 7.649 1.799) 7.858 5.115 ( 0.000 4.325 -5.217) 6.777 5.647 ( -0.000 -4.672 2.045) 5.099 5.651 ( -0.000 -25.114 0.675) 25.123 5.661 ( -0.000 -22.122 -0.751) 22.135 5.670 ( 0.000 -2.286 -2.183) 3.161 6.194 ( -0.000 3.237 3.140) 4.510 6.222 ( -0.000 3.708 -2.193) 4.308 6.673 ( -0.000 -1.686 1.371) 2.173 6.689 ( -0.000 -1.007 -1.674) 1.953 6.830 ( -0.000 1.964 4.872) 5.253 6.883 ( -0.000 2.750 -5.087) 5.783 7.022 ( -0.000 -1.653 0.913) 1.888 7.026 ( -0.000 -1.510 0.117) 1.515 7.206 ( 0.000 6.759 0.232) 6.763 7.212 ( -0.000 5.645 -0.701) 5.688 7.457 ( -0.000 4.143 0.934) 4.247 7.478 ( -0.000 4.085 -2.793) 4.948 7.637 ( -0.000 -2.106 1.188) 2.418 7.650 ( -0.000 -3.576 -1.203) 3.773 7.806 ( -0.000 -6.279 3.140) 7.021 7.844 ( -0.000 -6.848 -4.207) 8.037 8.029 ( -0.000 0.023 10.937) 10.937 8.099 ( -0.000 -4.841 -0.123) 4.842 8.132 ( -0.000 1.755 3.222) 3.669 8.169 ( -0.000 1.848 -7.426) 7.652 8.469 ( 0.000 -5.488 1.494) 5.687 8.509 ( 0.000 -4.841 -5.248) 7.140 8.577 ( 0.000 3.656 7.010) 7.906 8.589 ( -0.000 2.308 2.003) 3.056 8.675 ( -0.000 -2.189 2.346) 3.208 8.729 ( 0.000 -1.580 -5.409) 5.635 8.918 ( -0.000 -6.243 0.260) 6.248 8.928 ( 0.000 -1.942 -2.344) 3.044 9.009 ( 0.000 -1.456 12.155) 12.242 9.149 ( -0.000 -1.778 -15.140) 15.244 9.570 ( -0.000 -3.891 1.091) 4.041 9.596 ( -0.000 -5.671 -4.226) 7.072 10.284 ( 0.000 1.661 15.099) 15.190 10.404 ( 0.000 -2.767 -6.960) 7.490 10.581 ( 0.000 3.247 4.091) 5.223 10.634 ( 0.000 5.850 -7.989) 9.902 11.558 ( 0.000 -10.077 2.336) 10.344 11.563 ( 0.000 -7.070 1.380) 7.203 ======================= Grid point 213 (89/125) ======================= q-point: ( 0.78 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( -4.356 6.033 -0.000) 7.441 2.437 ( -19.553 11.420 -0.000) 22.643 2.736 ( -5.693 15.781 -0.000) 16.776 2.748 ( -6.108 14.508 -0.000) 15.742 3.241 ( 11.216 3.854 0.000) 11.860 3.548 ( -6.174 -4.927 -0.000) 7.899 3.744 ( 0.194 11.511 -0.000) 11.512 3.870 ( -2.741 2.192 -0.000) 3.509 4.082 ( -0.963 -2.609 -0.000) 2.782 4.100 ( 0.002 0.822 -0.000) 0.822 4.306 ( 3.527 -6.518 0.000) 7.411 4.437 ( 4.067 -0.858 0.000) 4.156 4.602 ( -2.891 -0.271 -0.000) 2.903 4.646 ( -13.510 -10.926 -0.000) 17.375 4.926 ( 5.761 1.939 0.000) 6.079 5.013 ( 1.320 1.675 0.000) 2.132 5.113 ( 3.678 7.670 0.000) 8.506 5.235 ( -3.528 1.968 -0.000) 4.040 5.307 ( 5.163 -24.707 0.000) 25.240 5.411 ( -1.229 -21.655 0.000) 21.690 5.589 ( 2.043 -2.595 0.000) 3.303 5.681 ( -3.042 -3.742 -0.000) 4.822 6.233 ( 1.442 5.756 -0.000) 5.934 6.284 ( -1.226 5.779 -0.000) 5.907 6.676 ( -0.976 -1.798 -0.000) 2.046 6.678 ( -1.549 -1.630 -0.000) 2.249 6.841 ( 2.451 0.062 0.000) 2.452 6.934 ( -2.785 5.821 -0.000) 6.453 7.006 ( -0.118 1.058 -0.000) 1.064 7.032 ( -1.589 -1.571 -0.000) 2.234 7.259 ( 0.485 0.815 0.000) 0.949 7.280 ( -2.028 5.936 -0.000) 6.273 7.455 ( 3.042 0.304 0.000) 3.058 7.527 ( -2.464 3.919 -0.000) 4.629 7.562 ( 4.094 -4.365 0.000) 5.985 7.647 ( -0.456 -0.886 -0.000) 0.996 7.757 ( 0.142 4.190 -0.000) 4.193 7.835 ( -3.149 -6.595 -0.000) 7.309 7.977 ( 2.726 0.178 0.000) 2.732 8.099 ( -2.283 -3.782 -0.000) 4.418 8.122 ( 0.372 -1.959 0.000) 1.994 8.252 ( -6.646 1.450 -0.000) 6.802 8.396 ( 0.539 -6.125 0.000) 6.149 8.442 ( -2.203 -8.141 0.000) 8.434 8.586 ( 4.775 -7.445 0.000) 8.844 8.626 ( -0.950 1.346 -0.000) 1.648 8.630 ( 3.264 10.230 -0.000) 10.738 8.810 ( -5.231 -0.352 -0.000) 5.243 8.851 ( 3.156 4.212 0.000) 5.263 8.912 ( -0.404 0.795 -0.000) 0.892 9.074 ( -4.898 -2.405 -0.000) 5.456 9.163 ( -10.764 -3.269 -0.000) 11.249 9.551 ( -1.316 1.056 -0.000) 1.687 9.555 ( -0.394 -3.020 0.000) 3.046 10.174 ( 11.259 -5.152 0.000) 12.382 10.375 ( 1.931 0.415 0.000) 1.975 10.538 ( 9.368 7.836 0.000) 12.213 10.777 ( -9.182 0.662 -0.000) 9.206 11.373 ( 8.373 -11.427 0.000) 14.167 11.417 ( 6.070 -11.134 0.000) 12.681 ======================= Grid point 219 (90/125) ======================= q-point: ( 0.33 0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.088 ( 22.362 0.000 9.051) 24.124 2.334 ( 14.710 -0.000 -0.690) 14.726 2.482 ( 21.200 0.000 -10.447) 23.634 2.676 ( 1.056 0.000 -16.591) 16.624 3.406 ( 14.188 0.000 25.508) 29.189 3.782 ( -1.550 0.000 5.852) 6.054 3.800 ( 7.339 0.000 12.182) 14.222 3.883 ( -11.935 -0.000 0.725) 11.957 4.177 ( -0.779 0.000 -10.321) 10.350 4.201 ( -5.900 -0.000 3.542) 6.882 4.301 ( -7.913 0.000 -0.632) 7.938 4.412 ( -10.678 0.000 -4.313) 11.517 4.431 ( 20.081 -0.000 -10.621) 22.717 4.547 ( -2.477 -0.000 -9.353) 9.675 4.773 ( 6.775 0.000 8.003) 10.486 4.819 ( -1.059 -0.000 0.847) 1.356 5.140 ( -1.532 0.000 2.138) 2.631 5.319 ( -6.753 -0.000 -0.670) 6.786 5.330 ( -9.715 0.000 1.153) 9.783 5.445 ( -2.679 -0.000 -7.670) 8.124 5.766 ( -2.119 -0.000 4.229) 4.730 5.826 ( -7.529 0.000 1.725) 7.724 6.431 ( 2.426 0.000 1.574) 2.892 6.496 ( 0.943 -0.000 -2.503) 2.675 6.685 ( -2.113 0.000 2.173) 3.031 6.712 ( -0.419 0.000 1.299) 1.365 6.892 ( -1.936 -0.000 -0.649) 2.041 6.957 ( -2.825 -0.000 -2.664) 3.883 7.022 ( 2.593 -0.000 1.351) 2.924 7.086 ( 3.876 0.000 -2.240) 4.477 7.302 ( -9.558 0.000 -2.138) 9.794 7.313 ( 9.916 0.000 0.300) 9.920 7.373 ( -1.391 -0.000 7.118) 7.253 7.400 ( -5.341 0.000 -5.025) 7.334 7.619 ( -2.702 0.000 -3.419) 4.358 7.632 ( -1.252 -0.000 -0.163) 1.263 7.865 ( 2.298 0.000 0.776) 2.425 7.882 ( 12.656 -0.000 2.579) 12.916 7.910 ( 8.960 -0.000 3.226) 9.523 7.979 ( 0.116 0.000 -2.889) 2.891 8.257 ( -4.059 -0.000 3.671) 5.473 8.417 ( -3.177 0.000 -1.000) 3.331 8.481 ( -5.912 -0.000 -1.038) 6.003 8.499 ( -4.778 -0.000 -6.339) 7.938 8.755 ( -8.728 0.000 0.484) 8.741 8.771 ( -6.229 -0.000 -0.255) 6.234 9.002 ( -6.350 0.000 0.999) 6.428 9.015 ( -5.726 -0.000 -0.009) 5.726 9.091 ( -2.683 0.000 9.550) 9.920 9.281 ( -2.559 -0.000 -2.632) 3.671 9.320 ( -5.229 0.000 6.476) 8.324 9.383 ( -11.572 -0.000 9.911) 15.236 9.595 ( 18.177 -0.000 0.380) 18.181 9.617 ( 15.171 0.000 -4.410) 15.799 9.694 ( 12.770 0.000 -7.906) 15.019 9.901 ( -3.589 0.000 -11.155) 11.719 10.485 ( -14.500 0.000 10.644) 17.987 10.631 ( -2.683 0.000 0.811) 2.802 10.657 ( 0.589 -0.000 6.919) 6.944 11.037 ( -8.863 0.000 -15.233) 17.624 ======================= Grid point 229 (91/125) ======================= q-point: ( 0.33 0.67 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.427 ( 6.641 -8.239 2.585) 10.893 2.515 ( 5.242 -7.359 -4.265) 9.992 2.653 ( 13.816 4.197 -4.977) 15.273 2.881 ( 19.122 -14.068 -5.545) 24.378 3.573 ( -3.835 1.166 10.074) 10.842 3.658 ( -12.689 -1.565 2.367) 13.002 3.792 ( -8.698 0.941 1.524) 8.881 3.816 ( -2.110 -0.610 3.500) 4.132 4.095 ( -7.215 -0.658 1.392) 7.377 4.146 ( -5.882 4.430 -2.198) 7.685 4.233 ( -10.911 -4.315 -3.631) 12.282 4.328 ( 6.142 -6.775 3.894) 9.939 4.512 ( 3.911 -0.190 -0.172) 3.920 4.702 ( 17.883 -1.392 -6.102) 18.947 4.803 ( 4.049 7.150 -1.922) 8.438 4.896 ( 4.281 0.457 2.526) 4.992 5.118 ( -4.574 0.940 5.942) 7.557 5.189 ( -7.486 -2.923 2.546) 8.430 5.218 ( -8.869 -4.901 -1.997) 10.328 5.391 ( -0.541 -2.578 -11.845) 12.135 5.662 ( -6.991 7.379 3.719) 10.824 5.775 ( -3.982 -1.813 3.537) 5.626 6.433 ( 2.170 5.620 -0.372) 6.036 6.485 ( 0.446 3.594 -0.826) 3.714 6.682 ( -0.823 -1.439 2.765) 3.224 6.713 ( -0.692 -0.374 1.033) 1.298 6.855 ( -2.827 0.089 -0.349) 2.850 6.902 ( -2.104 -1.268 -2.519) 3.519 7.102 ( 7.215 1.404 0.545) 7.371 7.139 ( 1.031 -0.172 -2.033) 2.286 7.193 ( -4.526 -2.361 1.519) 5.326 7.301 ( -2.291 3.311 0.239) 4.034 7.357 ( 1.463 -1.349 -4.043) 4.506 7.434 ( -0.797 1.671 1.942) 2.683 7.513 ( -1.841 1.048 -4.906) 5.344 7.602 ( -4.020 -2.393 -2.204) 5.172 7.871 ( 2.847 4.008 -0.562) 4.948 7.922 ( -1.050 0.951 -2.156) 2.580 8.064 ( 11.612 3.900 0.838) 12.278 8.109 ( 7.385 1.542 5.009) 9.056 8.217 ( -2.772 -0.450 4.376) 5.199 8.273 ( -5.755 8.998 -0.695) 10.704 8.357 ( -2.233 2.095 -3.400) 4.576 8.470 ( -5.209 -5.756 -2.959) 8.308 8.610 ( -6.205 -2.457 -1.074) 6.760 8.661 ( -14.557 -5.912 0.621) 15.724 8.888 ( -8.036 1.173 0.840) 8.164 8.941 ( -4.848 -2.916 -2.234) 6.083 9.049 ( -6.102 0.710 6.826) 9.183 9.201 ( -9.567 2.961 4.198) 10.859 9.212 ( -10.406 0.068 -4.288) 11.255 9.304 ( -2.563 -4.635 4.105) 6.701 9.704 ( 5.770 4.992 0.305) 7.635 9.753 ( 9.524 10.712 -1.726) 14.437 9.939 ( 13.359 -1.808 0.419) 13.488 9.995 ( 13.799 -1.751 -4.068) 14.492 10.410 ( -2.902 -1.956 8.837) 9.505 10.523 ( 2.028 4.966 -1.150) 5.486 10.698 ( -3.012 -1.414 -5.320) 6.274 10.958 ( -3.752 -13.409 -3.661) 14.397 ======================= Grid point 230 (92/125) ======================= q-point: ( 0.44 0.67 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.189 ( 19.078 -0.000 10.721) 21.884 2.295 ( 13.567 0.000 -8.811) 16.177 2.438 ( 17.972 0.000 3.803) 18.369 2.527 ( 8.240 0.000 -12.315) 14.817 3.641 ( 4.766 0.000 19.310) 19.890 3.779 ( -1.653 -0.000 -7.322) 7.506 3.915 ( -9.675 0.000 5.192) 10.980 3.917 ( -0.743 -0.000 8.521) 8.554 4.090 ( 11.389 0.000 -3.578) 11.938 4.164 ( 11.577 -0.000 -12.759) 17.229 4.314 ( -9.695 0.000 6.837) 11.864 4.375 ( -11.637 -0.000 -3.706) 12.213 4.382 ( 7.301 0.000 1.277) 7.412 4.443 ( -1.312 -0.000 -10.035) 10.121 4.829 ( 3.199 0.000 2.226) 3.898 4.830 ( 0.500 -0.000 1.115) 1.222 5.191 ( 0.622 0.000 7.997) 8.021 5.279 ( 0.615 -0.000 -7.568) 7.593 5.350 ( -11.964 -0.000 2.439) 12.211 5.381 ( -10.799 0.000 -4.173) 11.577 5.805 ( -2.930 -0.000 3.313) 4.423 5.829 ( -4.718 0.000 -1.143) 4.854 6.449 ( 1.649 0.000 1.966) 2.566 6.471 ( 1.155 -0.000 -2.362) 2.629 6.705 ( -1.205 0.000 1.674) 2.062 6.716 ( -0.411 -0.000 -0.383) 0.562 6.898 ( -1.904 -0.000 1.773) 2.602 6.925 ( -2.268 0.000 -3.281) 3.989 7.042 ( 2.729 -0.000 2.246) 3.534 7.064 ( 3.111 0.000 -2.090) 3.747 7.297 ( -8.224 -0.000 1.586) 8.376 7.332 ( -1.054 0.000 -2.233) 2.470 7.346 ( 1.379 0.000 0.880) 1.636 7.388 ( 4.073 -0.000 -3.293) 5.237 7.620 ( -6.672 0.000 2.573) 7.151 7.636 ( -5.230 -0.000 0.002) 5.230 7.881 ( 2.319 0.000 2.222) 3.211 7.898 ( 8.683 0.000 -0.054) 8.683 7.931 ( 9.477 -0.000 1.122) 9.543 7.946 ( 3.262 0.000 -2.697) 4.232 8.309 ( -3.191 -0.000 6.390) 7.142 8.378 ( -2.221 0.000 -6.516) 6.884 8.463 ( -5.830 0.000 -0.447) 5.848 8.470 ( -5.694 -0.000 -1.107) 5.801 8.761 ( -8.608 0.000 0.684) 8.635 8.767 ( -7.672 -0.000 -0.491) 7.687 9.007 ( -6.153 0.000 0.352) 6.163 9.011 ( -6.030 -0.000 -0.464) 6.047 9.183 ( -5.202 0.000 7.656) 9.256 9.243 ( -4.858 -0.000 -4.514) 6.632 9.382 ( -1.869 -0.000 5.812) 6.105 9.431 ( -7.027 -0.000 -2.036) 7.316 9.601 ( 16.488 -0.000 0.962) 16.516 9.629 ( 14.088 0.000 -4.011) 14.648 9.645 ( 12.015 -0.000 9.850) 15.536 9.773 ( 0.693 0.000 -13.411) 13.429 10.581 ( -12.959 0.000 7.223) 14.836 10.627 ( -6.697 -0.000 -2.026) 6.996 10.745 ( -1.152 0.000 10.937) 10.998 10.880 ( -6.339 -0.000 -15.039) 16.320 ======================= Grid point 239 (93/125) ======================= q-point: ( 0.33 -0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.473 ( -7.602 -1.163 1.252) 7.792 2.506 ( -5.192 2.339 -5.319) 7.792 2.917 ( 16.037 -0.819 2.260) 16.216 3.090 ( -8.067 -2.737 -4.581) 9.672 3.537 ( -11.222 -8.096 0.897) 13.866 3.561 ( 7.101 -8.577 0.903) 11.172 3.721 ( -3.219 -1.167 3.548) 4.931 3.898 ( 1.019 -8.511 4.081) 9.494 3.932 ( -11.567 -0.236 1.250) 11.637 4.007 ( -11.167 -6.085 -6.351) 14.215 4.182 ( 1.677 2.769 0.254) 3.247 4.422 ( -0.490 -10.688 -5.075) 11.842 4.579 ( -0.284 7.281 12.769) 14.702 4.721 ( 0.460 7.178 -9.165) 11.650 4.927 ( 11.929 1.509 -0.380) 12.031 4.956 ( 6.816 4.101 0.451) 7.967 5.055 ( -4.488 -2.793 1.465) 5.485 5.171 ( -2.565 -4.468 -2.608) 5.774 5.201 ( -4.910 -9.276 6.037) 12.108 5.386 ( -0.195 -6.583 -5.699) 8.709 5.485 ( -6.314 8.127 1.537) 10.405 5.747 ( -3.042 -1.049 1.895) 3.734 6.398 ( 0.840 8.529 0.801) 8.607 6.411 ( 1.502 7.188 -1.444) 7.484 6.699 ( -1.862 -2.260 0.901) 3.064 6.712 ( -0.526 -0.595 0.929) 1.223 6.817 ( -1.933 -1.304 -0.669) 2.426 6.889 ( -2.719 -3.641 -0.807) 4.616 7.095 ( -4.121 1.803 3.294) 5.575 7.138 ( -3.391 3.417 -4.322) 6.470 7.220 ( 9.236 2.132 1.186) 9.553 7.257 ( 1.427 0.635 -0.806) 1.757 7.376 ( 1.520 0.070 -0.977) 1.808 7.454 ( 5.343 -5.370 -0.653) 7.603 7.506 ( -2.133 -1.615 -0.738) 2.775 7.533 ( -5.342 -1.818 -3.104) 6.440 7.864 ( 0.661 2.918 0.445) 3.025 7.875 ( -0.953 2.726 -1.373) 3.197 8.054 ( -3.595 5.570 2.447) 7.067 8.153 ( -2.148 2.173 1.275) 3.311 8.171 ( 0.575 4.715 4.224) 6.356 8.221 ( 0.607 2.829 -0.279) 2.907 8.270 ( 0.181 6.516 -7.083) 9.626 8.454 ( 0.280 -2.177 -0.092) 2.197 8.534 ( -10.268 -6.514 1.802) 12.292 8.662 ( 4.186 -1.850 1.427) 4.793 8.778 ( -4.947 -4.785 0.885) 6.939 8.887 ( -7.378 -6.554 -3.569) 10.495 8.979 ( -7.386 -0.773 5.723) 9.375 9.008 ( -13.817 -1.410 2.122) 14.050 9.053 ( -4.451 4.375 -6.808) 9.236 9.346 ( -0.952 -4.552 0.493) 4.677 9.710 ( 3.651 8.099 3.262) 9.464 9.736 ( 2.575 10.615 -1.206) 10.990 9.953 ( 3.587 7.863 -1.621) 8.794 10.179 ( 0.661 -4.417 3.000) 5.380 10.538 ( 8.286 -2.330 4.552) 9.737 10.596 ( 3.302 -4.096 -7.005) 8.761 10.723 ( 15.265 -1.525 -1.814) 15.448 11.066 ( -4.052 -15.992 0.521) 16.505 ======================= Grid point 240 (94/125) ======================= q-point: (-0.56 -0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.441 ( 3.197 -5.859 0.000) 6.675 2.492 ( 4.116 -9.937 0.000) 10.756 2.628 ( 18.773 5.059 0.000) 19.443 2.851 ( 19.114 -14.981 0.000) 24.285 3.620 ( -12.444 3.024 -0.000) 12.806 3.679 ( -10.291 -3.356 -0.000) 10.825 3.797 ( -6.665 1.421 -0.000) 6.815 3.833 ( -0.821 -1.374 -0.000) 1.601 4.117 ( 1.102 7.578 -0.000) 7.657 4.123 ( -13.418 -0.462 -0.000) 13.426 4.213 ( -11.228 -5.597 -0.000) 12.546 4.328 ( -2.195 -10.042 0.000) 10.279 4.583 ( 15.201 1.098 0.000) 15.241 4.608 ( 18.082 -0.729 0.000) 18.097 4.796 ( 3.005 8.045 0.000) 8.588 4.906 ( 4.211 0.308 0.000) 4.223 5.159 ( -10.022 0.452 -0.000) 10.032 5.204 ( -5.964 -1.475 -0.000) 6.144 5.248 ( -7.785 -4.939 -0.000) 9.220 5.283 ( 0.905 -4.495 0.000) 4.586 5.681 ( -6.101 7.644 -0.000) 9.780 5.794 ( -3.905 -1.984 -0.000) 4.380 6.431 ( 1.932 5.839 -0.000) 6.151 6.480 ( 0.443 3.108 -0.000) 3.139 6.701 ( -0.762 -0.815 -0.000) 1.116 6.716 ( -0.437 -1.040 -0.000) 1.128 6.853 ( -3.520 0.807 -0.000) 3.611 6.888 ( -1.770 -2.070 -0.000) 2.723 7.106 ( 6.963 2.260 0.000) 7.321 7.127 ( 2.183 -0.347 0.000) 2.211 7.208 ( -5.742 -0.206 -0.000) 5.746 7.284 ( 0.123 -5.645 0.000) 5.646 7.344 ( 0.526 5.547 -0.000) 5.572 7.446 ( -3.854 5.849 -0.000) 7.005 7.488 ( -0.252 -2.744 0.000) 2.756 7.592 ( -5.876 -3.887 -0.000) 7.045 7.869 ( 2.504 4.440 0.000) 5.097 7.910 ( -0.586 0.542 -0.000) 0.798 8.063 ( 10.031 4.582 0.000) 11.028 8.135 ( 10.311 -0.552 0.000) 10.326 8.263 ( -4.869 7.037 -0.000) 8.557 8.279 ( -4.170 2.196 -0.000) 4.713 8.312 ( -2.487 3.501 -0.000) 4.295 8.455 ( -4.607 -5.585 -0.000) 7.240 8.604 ( -6.514 -2.966 -0.000) 7.157 8.665 ( -13.891 -5.846 -0.000) 15.071 8.894 ( -8.742 1.006 -0.000) 8.799 8.926 ( -6.022 -4.053 -0.000) 7.259 9.110 ( -3.500 4.016 -0.000) 5.327 9.142 ( -7.475 0.376 -0.000) 7.484 9.245 ( -15.146 0.964 -0.000) 15.177 9.326 ( -4.355 -4.329 -0.000) 6.141 9.712 ( 9.875 6.993 0.000) 12.100 9.736 ( 7.681 9.523 0.000) 12.235 9.953 ( 11.887 1.655 0.000) 12.002 9.962 ( 17.332 -6.849 0.000) 18.636 10.488 ( -1.673 -0.286 -0.000) 1.697 10.496 ( -4.671 -1.617 -0.000) 4.943 10.657 ( -0.451 6.591 -0.000) 6.606 10.942 ( -2.369 -16.231 0.000) 16.403 ======================= Grid point 249 (95/125) ======================= q-point: ( 0.33 -0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( -16.981 13.586 -0.000) 21.747 2.259 ( -13.934 16.188 -0.000) 21.359 2.955 ( -11.015 -11.926 -0.000) 16.234 3.088 ( 9.561 8.304 0.000) 12.664 3.545 ( -3.134 -8.987 -0.000) 9.517 3.666 ( -8.354 -1.761 -0.000) 8.538 3.722 ( -11.735 -1.721 -0.000) 11.861 3.774 ( 6.856 1.161 0.000) 6.953 3.876 ( -9.328 -8.325 -0.000) 12.503 4.095 ( 3.337 -0.255 0.000) 3.346 4.113 ( -4.374 3.570 -0.000) 5.646 4.531 ( 0.368 -9.367 0.000) 9.374 4.629 ( 7.051 -12.612 0.000) 14.449 4.668 ( 5.755 3.974 0.000) 6.994 4.951 ( 2.796 8.697 -0.000) 9.136 4.962 ( 3.237 9.558 -0.000) 10.092 5.134 ( -0.160 -11.687 0.000) 11.688 5.210 ( 1.283 -5.580 0.000) 5.726 5.264 ( -4.777 -5.236 -0.000) 7.088 5.332 ( -4.125 -3.032 -0.000) 5.120 5.450 ( -1.375 -7.018 0.000) 7.152 5.746 ( -0.722 -3.562 0.000) 3.634 6.278 ( -0.287 10.886 -0.000) 10.890 6.384 ( 2.544 6.401 0.000) 6.888 6.681 ( -4.137 -2.625 -0.000) 4.900 6.722 ( 0.336 -1.365 0.000) 1.406 6.812 ( -1.103 -1.215 -0.000) 1.641 6.893 ( -1.585 -4.113 -0.000) 4.408 7.010 ( -5.255 0.942 -0.000) 5.338 7.038 ( -1.540 4.470 -0.000) 4.728 7.289 ( 1.345 -3.214 0.000) 3.484 7.343 ( 8.162 2.209 0.000) 8.456 7.405 ( -5.929 3.058 -0.000) 6.671 7.472 ( 6.693 -2.162 0.000) 7.034 7.518 ( -0.303 -2.827 0.000) 2.843 7.586 ( 5.478 -2.038 0.000) 5.845 7.804 ( -2.423 3.029 -0.000) 3.879 7.858 ( 1.216 1.993 0.000) 2.335 7.933 ( -7.394 2.430 -0.000) 7.783 8.113 ( -6.476 1.192 -0.000) 6.585 8.122 ( 1.713 11.242 -0.000) 11.371 8.145 ( -2.783 -5.158 -0.000) 5.861 8.230 ( 5.527 3.207 0.000) 6.390 8.472 ( -8.029 -5.300 -0.000) 9.621 8.530 ( 6.166 -0.830 0.000) 6.221 8.633 ( -1.731 0.920 -0.000) 1.960 8.809 ( -8.760 -3.264 -0.000) 9.349 8.847 ( -8.401 0.581 -0.000) 8.422 8.850 ( -5.816 -1.876 -0.000) 6.112 8.928 ( -4.484 1.511 -0.000) 4.732 8.968 ( 4.532 -2.958 0.000) 5.411 9.388 ( 1.601 -4.572 0.000) 4.844 9.636 ( -0.426 2.716 -0.000) 2.749 9.716 ( 4.349 3.766 0.000) 5.753 9.987 ( 5.865 0.983 0.000) 5.947 10.152 ( -7.713 -1.611 -0.000) 7.879 10.515 ( -2.452 3.669 -0.000) 4.413 10.848 ( 15.380 -4.232 0.000) 15.952 11.003 ( 15.324 -3.334 0.000) 15.682 11.169 ( -5.395 -16.181 0.000) 17.057 ======================= Grid point 258 (96/125) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( 0.000 19.134 -0.000) 19.134 2.002 ( 0.000 25.977 -0.000) 25.977 2.747 ( -0.000 -16.076 0.000) 16.076 3.297 ( 0.000 7.142 -0.000) 7.142 3.388 ( -0.000 -2.994 0.000) 2.994 3.534 ( -0.000 -2.163 0.000) 2.163 3.638 ( 0.000 18.576 -0.000) 18.576 3.747 ( -0.000 -6.581 0.000) 6.581 3.944 ( -0.000 -16.781 0.000) 16.781 3.948 ( 0.000 6.352 -0.000) 6.352 4.019 ( 0.000 3.486 -0.000) 3.486 4.622 ( -0.000 -13.055 0.000) 13.055 4.810 ( 0.000 2.501 -0.000) 2.501 4.835 ( 0.000 1.664 -0.000) 1.664 4.962 ( -0.000 -33.185 0.000) 33.185 4.995 ( 0.000 8.860 -0.000) 8.860 5.058 ( 0.000 5.667 -0.000) 5.667 5.134 ( -0.000 -7.370 0.000) 7.370 5.257 ( -0.000 -5.010 0.000) 5.010 5.285 ( -0.000 -5.249 0.000) 5.249 5.416 ( -0.000 -3.213 0.000) 3.213 5.725 ( -0.000 -7.517 0.000) 7.517 6.283 ( 0.000 11.229 -0.000) 11.229 6.430 ( 0.000 8.441 -0.000) 8.441 6.598 ( -0.000 -0.672 0.000) 0.672 6.736 ( -0.000 -0.670 0.000) 0.670 6.800 ( 0.000 1.730 -0.000) 1.730 6.884 ( -0.000 -3.580 0.000) 3.580 6.893 ( -0.000 -3.741 0.000) 3.741 6.995 ( 0.000 0.758 -0.000) 0.758 7.316 ( 0.000 2.074 -0.000) 2.074 7.330 ( 0.000 0.684 -0.000) 0.684 7.512 ( -0.000 -4.027 0.000) 4.027 7.550 ( -0.000 -2.103 0.000) 2.103 7.574 ( -0.000 -0.194 0.000) 0.194 7.705 ( -0.000 -2.799 0.000) 2.799 7.715 ( -0.000 -2.321 0.000) 2.321 7.787 ( 0.000 7.698 -0.000) 7.698 7.822 ( -0.000 -4.180 0.000) 4.180 7.965 ( -0.000 -1.581 0.000) 1.581 8.111 ( -0.000 -2.563 0.000) 2.563 8.187 ( 0.000 18.195 -0.000) 18.195 8.352 ( -0.000 -4.414 0.000) 4.414 8.376 ( 0.000 1.935 -0.000) 1.935 8.625 ( 0.000 3.543 -0.000) 3.543 8.641 ( -0.000 -6.167 0.000) 6.167 8.701 ( -0.000 -1.014 0.000) 1.014 8.715 ( 0.000 1.173 -0.000) 1.173 8.757 ( 0.000 7.740 -0.000) 7.740 8.774 ( -0.000 -6.471 0.000) 6.471 9.115 ( 0.000 12.840 -0.000) 12.840 9.452 ( -0.000 -11.114 0.000) 11.114 9.640 ( -0.000 -5.782 0.000) 5.782 9.731 ( -0.000 -8.946 0.000) 8.946 9.993 ( 0.000 6.273 -0.000) 6.273 10.055 ( -0.000 -6.877 0.000) 6.877 10.499 ( 0.000 12.617 -0.000) 12.617 11.019 ( -0.000 -16.559 0.000) 16.559 11.131 ( -0.000 -4.607 0.000) 4.607 11.250 ( -0.000 -5.233 0.000) 5.233 ======================= Grid point 259 (97/125) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( -11.051 9.904 0.692) 14.856 2.294 ( -5.479 11.455 5.191) 13.718 2.679 ( -9.666 -4.298 -0.418) 10.587 3.273 ( 0.634 -1.714 0.891) 2.033 3.432 ( -6.590 -6.241 -1.921) 9.278 3.534 ( -1.104 -0.949 -2.071) 2.531 3.573 ( 7.607 -3.426 4.119) 9.304 3.741 ( -1.881 -2.867 0.242) 3.438 3.906 ( 6.730 0.870 0.501) 6.805 4.049 ( -9.952 7.739 -2.017) 12.767 4.095 ( -2.291 -3.449 2.494) 4.834 4.475 ( 4.182 -6.362 -1.323) 7.727 4.558 ( 3.016 -17.227 -1.199) 17.530 4.776 ( 5.512 -0.807 2.784) 6.228 4.904 ( -6.063 -7.375 -4.568) 10.584 5.038 ( -4.777 -11.526 2.791) 12.785 5.073 ( -0.787 5.491 -0.530) 5.572 5.105 ( 0.990 3.786 -1.349) 4.140 5.211 ( 1.805 -0.265 -1.204) 2.186 5.310 ( -1.534 4.240 -6.897) 8.240 5.403 ( -0.608 -1.946 7.418) 7.693 5.657 ( -1.965 -6.965 -0.163) 7.239 6.399 ( 0.454 10.465 0.337) 10.480 6.494 ( 1.914 6.328 -0.377) 6.622 6.620 ( -2.301 0.607 0.130) 2.383 6.710 ( 0.387 -1.992 -0.713) 2.151 6.805 ( 1.337 0.064 0.425) 1.404 6.847 ( 0.294 -2.986 1.222) 3.240 6.926 ( -6.057 0.623 0.551) 6.114 7.026 ( -3.424 0.003 1.190) 3.625 7.293 ( 2.792 -0.842 -0.260) 2.928 7.372 ( -2.586 2.143 -0.509) 3.397 7.423 ( 3.820 -3.809 0.505) 5.418 7.477 ( 2.476 -4.880 1.056) 5.573 7.561 ( 3.184 0.350 -1.873) 3.710 7.660 ( 3.509 -1.779 3.273) 5.118 7.745 ( -5.554 -0.672 -1.058) 5.694 7.815 ( -3.351 -2.895 0.849) 4.509 7.888 ( -2.610 6.297 0.231) 6.820 7.997 ( -5.351 -0.750 -1.689) 5.661 8.122 ( -1.262 2.272 0.907) 2.753 8.299 ( 0.857 3.124 0.766) 3.329 8.345 ( 2.757 2.552 -2.372) 4.442 8.372 ( 0.500 4.882 1.855) 5.246 8.591 ( -1.095 -2.031 -0.712) 2.415 8.623 ( 3.168 0.642 1.090) 3.412 8.675 ( -2.091 -3.644 -4.677) 6.287 8.732 ( -3.762 -1.498 0.860) 4.140 8.768 ( -1.221 0.783 2.552) 2.935 8.956 ( -3.236 14.620 0.279) 14.976 9.113 ( 11.998 -1.699 1.491) 12.209 9.330 ( -0.543 -4.771 -2.860) 5.589 9.617 ( -3.661 -1.321 1.838) 4.304 9.689 ( -5.611 -3.067 -3.984) 7.534 10.006 ( -0.776 -4.273 5.094) 6.694 10.084 ( -3.965 3.194 -0.304) 5.100 10.617 ( 2.701 10.303 2.569) 10.957 10.876 ( 0.332 -11.791 0.229) 11.798 11.008 ( 4.805 -6.860 -4.582) 9.547 11.122 ( 7.512 -9.113 3.242) 12.247 ======================= Grid point 260 (98/125) ======================= q-point: ( 0.56 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.286 ( -9.380 -3.084 -5.705) 11.404 2.463 ( -7.531 -1.431 11.330) 13.680 2.942 ( -12.113 10.941 2.603) 16.529 3.222 ( 3.401 -11.445 0.446) 11.948 3.342 ( 6.557 11.190 2.720) 13.252 3.539 ( -3.530 -2.376 -7.183) 8.348 3.651 ( -6.410 -1.505 1.352) 6.721 3.733 ( 6.415 -14.431 4.401) 16.394 3.789 ( -6.033 -0.289 1.986) 6.358 3.903 ( 0.575 -7.949 0.292) 7.976 4.216 ( 0.733 2.193 -3.852) 4.493 4.398 ( -0.516 -3.297 8.266) 8.914 4.571 ( -4.669 8.629 -9.912) 13.947 4.765 ( -3.498 2.420 1.772) 4.608 4.820 ( -5.712 -13.170 -9.043) 16.966 5.013 ( -1.472 -5.912 -1.104) 6.191 5.093 ( 5.746 3.095 -1.251) 6.645 5.114 ( 2.933 2.269 2.601) 4.529 5.196 ( 2.130 1.660 2.912) 3.971 5.321 ( -4.281 -1.869 -1.487) 4.903 5.482 ( -2.647 4.364 2.155) 5.540 5.643 ( -4.520 -4.593 0.204) 6.447 6.489 ( 0.534 6.286 0.407) 6.322 6.515 ( 2.450 4.063 0.844) 4.819 6.657 ( -1.521 0.395 -1.455) 2.141 6.689 ( -0.662 -1.121 -1.400) 1.912 6.794 ( -0.360 -0.385 0.723) 0.894 6.837 ( -0.950 -1.797 3.750) 4.266 7.024 ( -4.409 0.810 -2.135) 4.965 7.118 ( -5.703 0.612 5.415) 7.888 7.253 ( 0.964 1.228 -0.826) 1.766 7.355 ( -0.842 -4.875 -0.192) 4.951 7.388 ( 4.009 2.047 -0.075) 4.502 7.449 ( 0.974 -1.906 0.786) 2.280 7.461 ( 2.096 -1.119 -0.855) 2.525 7.606 ( 6.352 -0.627 9.377) 11.344 7.819 ( -4.928 0.774 -0.936) 5.075 7.856 ( -4.075 -1.663 0.990) 4.511 8.007 ( -5.956 4.675 -2.446) 7.957 8.074 ( -7.457 -1.434 -2.385) 7.959 8.197 ( -1.526 6.576 0.120) 6.752 8.311 ( 1.974 2.852 -1.664) 3.847 8.337 ( -4.537 -2.774 -0.024) 5.318 8.411 ( 3.083 2.309 3.446) 5.168 8.535 ( 7.527 3.358 -4.082) 9.197 8.649 ( -2.951 -2.904 -7.324) 8.413 8.673 ( -3.941 1.196 1.189) 4.287 8.782 ( -5.255 -2.587 -3.019) 6.589 8.830 ( -1.116 -3.836 6.495) 7.625 8.853 ( 2.690 -4.643 2.693) 6.004 9.103 ( -1.140 5.103 -1.614) 5.472 9.295 ( 0.796 -3.133 3.823) 5.006 9.700 ( -4.558 0.822 -7.222) 8.580 9.816 ( -7.868 9.274 -0.073) 12.162 10.061 ( -2.350 3.549 7.888) 8.963 10.151 ( -2.593 -0.755 0.668) 2.782 10.641 ( 7.460 3.659 3.214) 8.909 10.693 ( 10.319 -5.689 -1.375) 11.864 10.840 ( 5.563 -7.840 -3.666) 10.289 10.914 ( 5.386 -7.498 2.778) 9.640 ======================= Grid point 261 (99/125) ======================= q-point: (-0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( -6.395 0.000 -3.587) 7.333 2.569 ( 0.505 -0.000 11.121) 11.132 2.948 ( 16.208 0.000 -1.079) 16.244 3.116 ( 14.286 -0.000 7.271) 16.030 3.433 ( -10.689 -0.000 -0.522) 10.702 3.492 ( -4.438 -0.000 1.072) 4.566 3.662 ( -4.436 0.000 -6.572) 7.929 3.715 ( -6.644 0.000 -5.591) 8.683 3.935 ( -6.933 -0.000 1.128) 7.024 3.991 ( -14.471 -0.000 5.898) 15.626 4.189 ( 0.072 -0.000 0.692) 0.696 4.396 ( 5.252 -0.000 2.118) 5.663 4.559 ( 3.078 0.000 -7.848) 8.430 4.783 ( -4.243 0.000 -11.138) 11.919 4.935 ( -5.968 -0.000 2.237) 6.374 4.954 ( 2.822 0.000 -0.816) 2.938 5.003 ( 1.818 0.000 -2.404) 3.014 5.064 ( 3.255 -0.000 1.385) 3.538 5.202 ( 1.645 -0.000 8.717) 8.870 5.409 ( -5.013 -0.000 6.460) 8.176 5.559 ( -5.824 0.000 -6.058) 8.403 5.685 ( -3.733 0.000 -1.453) 4.006 6.511 ( 2.580 -0.000 0.993) 2.764 6.514 ( 0.616 -0.000 1.270) 1.411 6.652 ( -0.214 0.000 -3.246) 3.254 6.692 ( -0.955 0.000 -1.770) 2.011 6.818 ( -2.340 -0.000 0.258) 2.354 6.873 ( -2.009 -0.000 4.742) 5.150 7.074 ( -4.389 0.000 -1.207) 4.552 7.193 ( 0.481 -0.000 5.235) 5.257 7.253 ( 10.597 0.000 -2.184) 10.820 7.288 ( -2.815 0.000 -5.647) 6.309 7.331 ( -0.345 -0.000 2.021) 2.050 7.470 ( -1.891 -0.000 5.876) 6.173 7.499 ( -3.570 -0.000 3.804) 5.216 7.584 ( 1.729 -0.000 11.017) 11.152 7.886 ( -2.744 0.000 -0.628) 2.815 7.905 ( -2.971 -0.000 1.112) 3.172 8.102 ( -4.439 0.000 -9.208) 10.222 8.167 ( -4.906 -0.000 1.248) 5.062 8.263 ( 8.749 0.000 -1.902) 8.953 8.318 ( -1.769 -0.000 -0.266) 1.789 8.321 ( -4.540 0.000 -0.884) 4.625 8.402 ( -1.591 0.000 -1.576) 2.239 8.474 ( 6.509 0.000 0.696) 6.546 8.525 ( -3.135 -0.000 3.950) 5.042 8.786 ( -6.495 -0.000 1.182) 6.602 8.825 ( -10.660 0.000 -3.732) 11.294 8.899 ( -5.995 -0.000 1.435) 6.164 8.982 ( -11.939 0.000 -3.541) 12.453 9.134 ( -3.533 0.000 -7.730) 8.499 9.291 ( 1.479 -0.000 8.943) 9.064 9.717 ( -2.137 0.000 -4.990) 5.428 9.937 ( 1.915 0.000 -1.927) 2.717 10.125 ( 7.955 -0.000 4.437) 9.109 10.152 ( 2.347 -0.000 1.564) 2.820 10.454 ( 13.233 0.000 -1.223) 13.289 10.566 ( 2.309 -0.000 5.174) 5.666 10.700 ( 3.677 0.000 -5.167) 6.341 10.860 ( -1.324 -0.000 5.361) 5.522 ======================= Grid point 268 (100/125) ======================= q-point: ( 0.44 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( 0.000 18.192 5.263) 18.938 2.072 ( 0.000 24.602 13.283) 27.959 2.713 ( -0.000 -14.330 -6.460) 15.719 3.325 ( 0.000 4.806 5.313) 7.164 3.358 ( -0.000 -0.480 -6.001) 6.020 3.524 ( -0.000 -1.870 -1.959) 2.708 3.623 ( 0.000 20.755 -2.512) 20.907 3.774 ( -0.000 -8.251 5.631) 9.989 3.929 ( -0.000 -13.503 -1.848) 13.628 3.958 ( 0.000 4.667 1.908) 5.042 4.061 ( 0.000 0.198 6.806) 6.809 4.580 ( -0.000 -12.239 -6.540) 13.876 4.839 ( 0.000 0.367 0.308) 0.478 4.870 ( 0.000 1.683 9.385) 9.535 4.949 ( -0.000 -20.827 -2.394) 20.965 4.990 ( -0.000 -4.177 -0.936) 4.281 5.014 ( -0.000 3.449 -9.918) 10.501 5.118 ( -0.000 -1.154 -1.052) 1.562 5.238 ( -0.000 -4.497 -3.212) 5.526 5.270 ( -0.000 -8.449 -1.059) 8.515 5.458 ( 0.000 -2.611 6.032) 6.572 5.715 ( -0.000 -6.413 -2.005) 6.719 6.289 ( 0.000 10.955 0.970) 10.998 6.422 ( 0.000 8.248 -1.516) 8.386 6.603 ( 0.000 -0.596 0.967) 1.137 6.729 ( -0.000 -1.110 -1.325) 1.728 6.799 ( 0.000 2.391 0.112) 2.394 6.896 ( -0.000 -3.400 2.238) 4.070 6.901 ( -0.000 -3.484 1.633) 3.848 7.003 ( 0.000 0.832 1.371) 1.603 7.308 ( 0.000 2.103 -1.463) 2.562 7.329 ( 0.000 1.050 -0.193) 1.067 7.515 ( -0.000 -3.641 0.478) 3.672 7.551 ( -0.000 -2.502 0.277) 2.517 7.578 ( -0.000 -0.728 0.680) 0.996 7.677 ( -0.000 -0.378 -4.417) 4.434 7.723 ( -0.000 -2.505 0.842) 2.643 7.813 ( 0.000 6.367 4.743) 7.940 7.836 ( -0.000 -4.186 2.706) 4.984 7.945 ( -0.000 -1.297 -3.720) 3.940 8.113 ( 0.000 0.377 0.767) 0.855 8.212 ( 0.000 11.545 3.994) 12.216 8.339 ( -0.000 -3.563 -2.309) 4.245 8.398 ( 0.000 1.204 3.873) 4.056 8.604 ( -0.000 0.779 -2.227) 2.359 8.661 ( 0.000 -0.608 2.482) 2.556 8.672 ( -0.000 -3.572 -5.649) 6.684 8.730 ( 0.000 0.916 2.606) 2.762 8.765 ( -0.000 -3.098 -1.058) 3.274 8.776 ( 0.000 7.038 3.609) 7.910 9.132 ( 0.000 11.932 2.536) 12.198 9.381 ( -0.000 -10.473 -11.133) 15.285 9.682 ( -0.000 -8.020 -7.884) 11.246 9.682 ( -0.000 -5.728 4.759) 7.447 9.984 ( 0.000 7.075 -0.075) 7.075 10.106 ( -0.000 -7.272 8.466) 11.160 10.532 ( 0.000 11.243 5.666) 12.590 11.039 ( -0.000 -17.010 3.903) 17.452 11.067 ( -0.000 -2.946 -9.803) 10.236 11.294 ( -0.000 -6.916 5.737) 8.985 ======================= Grid point 269 (101/125) ======================= q-point: ( 0.56 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( -8.777 6.817 1.956) 11.284 2.390 ( -6.116 7.492 12.776) 16.023 2.673 ( -11.379 1.068 -0.334) 11.434 3.280 ( -1.494 -5.030 -0.712) 5.295 3.410 ( -3.372 -1.057 -1.164) 3.721 3.500 ( 7.201 6.246 -4.220) 10.425 3.635 ( 2.706 -6.588 6.663) 9.753 3.760 ( -3.202 -5.401 4.474) 7.709 3.900 ( 1.787 0.858 -2.224) 2.979 4.038 ( -3.160 4.831 0.532) 5.797 4.128 ( -3.574 -1.620 3.919) 5.546 4.446 ( -1.679 -7.267 -4.283) 8.601 4.543 ( 6.452 -17.399 -1.498) 18.617 4.803 ( 2.482 -4.494 -0.395) 5.149 4.861 ( -1.583 -11.057 -1.781) 11.311 4.985 ( -2.206 -1.291 -10.690) 10.991 5.072 ( -2.378 3.321 -3.614) 5.454 5.128 ( -2.907 0.665 6.461) 7.116 5.195 ( 1.753 1.486 -2.002) 3.048 5.264 ( 0.200 2.660 -0.367) 2.693 5.475 ( -1.164 -1.044 6.133) 6.329 5.652 ( -1.460 -5.407 -0.913) 5.675 6.405 ( 0.520 10.342 0.665) 10.377 6.486 ( 1.199 6.740 -1.190) 6.949 6.623 ( -1.728 0.139 0.375) 1.774 6.697 ( 0.269 -2.017 -1.838) 2.742 6.813 ( 1.691 0.539 1.034) 2.054 6.872 ( 0.102 -1.865 3.782) 4.219 6.939 ( -4.897 0.127 2.108) 5.333 7.047 ( -4.238 0.450 2.689) 5.039 7.286 ( 2.630 -0.538 -1.297) 2.981 7.366 ( -2.147 2.129 -0.389) 3.049 7.431 ( 3.821 -3.986 1.120) 5.634 7.496 ( 1.439 -3.731 2.404) 4.666 7.539 ( 4.197 -1.129 -2.154) 4.851 7.700 ( -0.951 -2.378 3.053) 3.985 7.724 ( -4.581 1.537 -2.269) 5.338 7.835 ( -2.586 -2.525 3.098) 4.760 7.898 ( -0.389 5.006 2.032) 5.416 7.965 ( -4.672 0.452 -4.341) 6.394 8.140 ( -1.449 1.442 2.506) 3.234 8.303 ( -0.612 -0.440 -5.387) 5.439 8.311 ( -0.495 3.339 1.111) 3.553 8.403 ( 2.877 3.760 3.914) 6.143 8.573 ( 0.533 -4.435 -4.674) 6.465 8.617 ( -3.114 -3.597 -3.451) 5.878 8.635 ( 2.907 1.698 0.923) 3.491 8.746 ( -1.415 -0.704 1.529) 2.199 8.803 ( -1.497 1.790 4.240) 4.839 8.962 ( -1.061 11.908 0.840) 11.984 9.128 ( 7.206 -4.224 0.170) 8.354 9.293 ( -1.816 2.519 -2.850) 4.214 9.610 ( -3.847 -2.729 -4.952) 6.839 9.665 ( -2.996 -2.015 1.369) 3.861 10.053 ( 0.091 3.156 1.570) 3.526 10.115 ( -3.420 -1.635 8.144) 8.983 10.659 ( 1.982 8.563 4.843) 10.036 10.877 ( 4.352 -9.910 -0.956) 10.866 10.953 ( 1.255 -8.396 -4.166) 9.456 11.156 ( 7.459 -10.680 2.725) 13.309 ======================= Grid point 270 (102/125) ======================= q-point: ( 0.67 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( -9.585 -5.086 -4.316) 11.677 2.593 ( -8.024 -1.759 14.056) 16.280 2.981 ( -10.313 10.885 4.849) 15.759 3.218 ( 1.369 -9.042 -1.735) 9.308 3.372 ( 6.461 6.433 1.298) 9.209 3.474 ( -1.149 4.544 -3.689) 5.964 3.638 ( -1.098 -2.401 -2.954) 3.962 3.796 ( 8.838 -14.551 7.223) 18.494 3.827 ( -6.359 0.435 3.731) 7.386 3.914 ( -3.171 -7.334 3.395) 8.682 4.195 ( 0.031 0.991 -0.419) 1.076 4.430 ( 1.655 2.673 -10.537) 10.996 4.489 ( -7.836 -0.664 2.536) 8.262 4.701 ( -4.067 -9.855 -10.808) 15.181 4.819 ( -3.845 -1.744 4.234) 5.980 4.945 ( -3.185 -3.663 -8.097) 9.441 5.080 ( 4.824 2.678 -1.221) 5.652 5.143 ( 4.752 1.632 2.064) 5.432 5.248 ( -6.461 2.417 -3.736) 7.845 5.287 ( -0.117 0.133 5.460) 5.463 5.531 ( -0.860 1.187 5.844) 6.025 5.636 ( -3.131 -2.828 -1.567) 4.501 6.495 ( 0.541 6.338 0.628) 6.392 6.522 ( 1.844 4.822 0.453) 5.182 6.639 ( -0.782 -0.962 -1.973) 2.330 6.672 ( -0.551 -0.724 -1.765) 1.986 6.800 ( -0.185 -0.381 0.262) 0.499 6.888 ( -0.617 -0.991 5.760) 5.877 7.018 ( -3.000 0.734 1.233) 3.325 7.178 ( -6.672 2.323 6.161) 9.374 7.242 ( 1.048 -0.054 -1.098) 1.518 7.353 ( 1.167 -3.602 0.188) 3.791 7.379 ( 5.796 2.038 -2.021) 6.468 7.445 ( 0.951 -1.849 1.119) 2.361 7.494 ( -3.289 -2.402 4.352) 5.961 7.702 ( 3.672 -0.052 8.805) 9.540 7.806 ( -4.759 2.165 -1.741) 5.511 7.869 ( -3.197 -1.963 1.471) 4.030 7.972 ( -3.063 4.220 -4.088) 6.626 8.044 ( -8.822 -0.352 -3.038) 9.337 8.203 ( -2.044 3.606 0.959) 4.255 8.286 ( -0.106 2.041 -3.126) 3.735 8.333 ( 0.532 -1.140 -0.480) 1.347 8.462 ( 0.650 5.747 4.598) 7.388 8.475 ( 2.053 -3.561 -7.599) 8.639 8.578 ( -1.924 -3.824 -3.997) 5.856 8.691 ( -2.868 1.789 1.605) 3.743 8.753 ( -1.899 -3.705 -2.457) 4.835 8.853 ( -2.980 -0.605 0.598) 3.099 8.916 ( 4.620 -2.684 5.744) 7.845 9.068 ( -2.623 -2.457 -4.011) 5.386 9.357 ( 1.554 2.843 8.084) 8.709 9.646 ( -3.782 0.357 -3.358) 5.070 9.795 ( -7.046 9.765 -3.831) 12.637 10.113 ( -0.761 5.130 1.810) 5.493 10.194 ( -1.180 0.513 7.461) 7.571 10.655 ( 11.077 1.299 -2.077) 11.345 10.705 ( 5.236 -3.827 5.170) 8.295 10.805 ( 4.649 -9.556 -3.006) 11.044 10.933 ( 5.234 -7.644 0.822) 9.301 ======================= Grid point 271 (103/125) ======================= q-point: (-0.22 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( -7.973 0.000 -2.464) 8.345 2.693 ( 2.396 -0.000 13.178) 13.394 2.954 ( 15.385 0.000 2.182) 15.539 3.169 ( 8.327 -0.000 1.832) 8.526 3.415 ( -10.240 0.000 -3.714) 10.893 3.481 ( 12.114 0.000 -2.282) 12.327 3.630 ( -12.798 -0.000 0.844) 12.825 3.684 ( -3.756 -0.000 0.646) 3.811 3.937 ( -6.439 -0.000 -0.782) 6.486 4.032 ( -8.468 -0.000 -0.344) 8.475 4.214 ( -1.567 -0.000 3.627) 3.951 4.319 ( 3.088 0.000 -7.938) 8.517 4.602 ( -3.231 -0.000 8.888) 9.457 4.646 ( -2.319 0.000 -14.735) 14.916 4.935 ( -1.359 0.000 -1.729) 2.199 4.951 ( -9.195 -0.000 0.611) 9.215 4.982 ( 6.610 0.000 -1.366) 6.750 5.076 ( 4.585 -0.000 0.945) 4.681 5.311 ( 2.456 -0.000 10.776) 11.053 5.389 ( -13.229 0.000 -8.211) 15.570 5.564 ( 0.783 -0.000 5.214) 5.273 5.657 ( -2.689 0.000 -3.614) 4.505 6.521 ( 3.001 -0.000 1.000) 3.163 6.528 ( 0.129 -0.000 1.437) 1.442 6.621 ( -0.443 0.000 -2.769) 2.805 6.671 ( -0.604 0.000 -2.143) 2.226 6.818 ( -2.348 0.000 -0.493) 2.399 6.920 ( -0.953 -0.000 4.003) 4.115 7.079 ( -4.245 -0.000 2.128) 4.748 7.234 ( 7.066 0.000 -2.522) 7.502 7.238 ( 1.366 0.000 -2.984) 3.282 7.243 ( 3.139 -0.000 4.211) 5.252 7.353 ( -1.534 -0.000 2.139) 2.632 7.537 ( -3.917 -0.000 3.336) 5.145 7.543 ( -3.099 -0.000 8.967) 9.488 7.700 ( 1.829 -0.000 11.121) 11.270 7.867 ( -2.314 0.000 -4.293) 4.877 7.915 ( -3.590 -0.000 0.701) 3.658 8.001 ( -1.416 0.000 -8.242) 8.363 8.180 ( -5.186 -0.000 0.640) 5.225 8.256 ( 5.338 0.000 -0.082) 5.339 8.302 ( -6.549 0.000 -2.503) 7.010 8.330 ( -2.299 -0.000 2.127) 3.132 8.356 ( 0.716 0.000 -7.141) 7.177 8.507 ( 1.086 -0.000 5.928) 6.027 8.569 ( -4.103 -0.000 4.493) 6.085 8.742 ( -9.592 0.000 -9.338) 13.387 8.800 ( -5.077 -0.000 1.475) 5.287 8.935 ( -8.776 0.000 -5.104) 10.152 8.946 ( -4.067 -0.000 3.150) 5.145 9.047 ( -1.143 0.000 -7.218) 7.308 9.393 ( 1.734 -0.000 10.677) 10.817 9.692 ( -3.588 -0.000 -0.484) 3.620 9.885 ( 1.396 0.000 -7.169) 7.304 10.164 ( 1.160 -0.000 0.796) 1.406 10.174 ( 10.036 -0.000 4.182) 10.873 10.451 ( 15.300 0.000 0.464) 15.307 10.617 ( 2.016 -0.000 4.554) 4.980 10.648 ( 4.724 0.000 -4.965) 6.853 10.912 ( -5.015 -0.000 4.675) 6.856 ======================= Grid point 278 (104/125) ======================= q-point: ( 0.56 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( -0.000 15.513 9.665) 18.277 2.255 ( -0.000 21.396 21.605) 30.407 2.622 ( -0.000 -10.430 -11.017) 15.171 3.266 ( -0.000 3.891 -11.838) 12.461 3.391 ( -0.000 -0.315 6.432) 6.440 3.498 ( -0.000 -0.813 -2.808) 2.923 3.607 ( -0.000 24.234 0.686) 24.244 3.861 ( -0.000 -10.209 10.579) 14.702 3.916 ( -0.000 -12.193 -0.269) 12.196 3.982 ( -0.000 1.944 2.679) 3.310 4.140 ( 0.000 -1.384 8.389) 8.503 4.509 ( -0.000 -12.230 -7.163) 14.174 4.802 ( -0.000 4.021 -12.470) 13.102 4.879 ( 0.000 0.057 -8.665) 8.665 4.905 ( 0.000 -2.971 -5.036) 5.847 4.967 ( -0.000 -30.395 0.190) 30.395 5.007 ( 0.000 5.063 9.824) 11.053 5.122 ( -0.000 0.593 1.268) 1.400 5.205 ( 0.000 -2.310 -2.693) 3.548 5.272 ( -0.000 -7.269 1.097) 7.351 5.514 ( -0.000 -2.574 4.752) 5.404 5.687 ( -0.000 -4.324 -3.199) 5.379 6.301 ( -0.000 10.361 1.286) 10.441 6.401 ( -0.000 7.923 -2.390) 8.276 6.616 ( -0.000 -0.558 1.448) 1.552 6.710 ( -0.000 -1.576 -2.293) 2.783 6.810 ( -0.000 3.401 2.185) 4.042 6.922 ( -0.000 -2.829 2.054) 3.496 6.925 ( -0.000 -2.884 3.290) 4.375 7.019 ( -0.000 1.328 1.636) 2.107 7.291 ( -0.000 2.029 -1.527) 2.539 7.324 ( -0.000 1.736 -0.810) 1.916 7.522 ( -0.000 -2.659 0.876) 2.800 7.552 ( -0.000 -2.254 -0.356) 2.282 7.585 ( 0.000 -1.902 0.478) 1.961 7.624 ( -0.000 0.787 -5.286) 5.344 7.732 ( -0.000 -1.598 1.046) 1.909 7.868 ( -0.000 -2.350 1.802) 2.961 7.876 ( -0.000 4.470 7.263) 8.528 7.901 ( -0.000 -2.481 -2.943) 3.849 8.131 ( -0.000 1.954 2.643) 3.287 8.249 ( -0.000 1.287 2.399) 2.723 8.306 ( -0.000 -2.118 -4.133) 4.644 8.446 ( -0.000 -0.068 4.927) 4.927 8.597 ( -0.000 -4.853 -8.004) 9.361 8.598 ( -0.000 2.731 1.524) 3.128 8.682 ( 0.000 1.586 1.417) 2.126 8.758 ( -0.000 -0.843 -0.420) 0.942 8.772 ( -0.000 1.110 5.786) 5.892 8.823 ( -0.000 6.786 5.448) 8.703 9.150 ( -0.000 10.924 0.357) 10.930 9.257 ( -0.000 -9.784 -12.607) 15.958 9.600 ( -0.000 -5.927 -7.304) 9.406 9.691 ( -0.000 -0.867 -3.175) 3.292 10.025 ( -0.000 3.889 8.275) 9.144 10.198 ( -0.000 -7.571 8.707) 11.538 10.594 ( -0.000 8.928 5.682) 10.582 10.957 ( -0.000 -0.694 -11.308) 11.329 11.098 ( 0.000 -17.619 7.411) 19.114 11.342 ( -0.000 -9.207 3.300) 9.781 ======================= Grid point 279 (105/125) ======================= q-point: ( 0.67 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.138 ( -5.251 1.822 2.298) 6.014 2.524 ( -11.075 -3.468 10.876) 15.905 2.690 ( -10.351 13.760 5.593) 18.104 3.234 ( -3.958 -4.258 -8.245) 10.088 3.416 ( 1.367 3.064 0.293) 3.368 3.471 ( 9.802 9.710 0.646) 13.812 3.685 ( 3.143 -6.575 3.118) 7.927 3.830 ( 0.040 -4.470 3.313) 5.564 3.880 ( -5.955 -3.723 4.159) 8.162 4.059 ( 0.492 3.447 3.375) 4.849 4.173 ( -2.913 -0.779 4.647) 5.540 4.396 ( -2.485 -8.973 -4.776) 10.464 4.521 ( 5.728 -16.495 -3.233) 17.758 4.758 ( -0.677 -15.173 -7.523) 16.949 4.835 ( -2.278 -3.635 -6.016) 7.388 4.865 ( -5.412 -2.310 -10.637) 12.157 5.054 ( 1.842 1.864 1.440) 2.990 5.171 ( 1.378 4.448 -0.067) 4.657 5.188 ( 1.357 2.234 3.090) 4.047 5.298 ( -2.160 1.399 5.603) 6.166 5.525 ( -1.500 -0.851 3.534) 3.933 5.639 ( -1.082 -3.723 -1.666) 4.220 6.411 ( 0.637 10.144 0.570) 10.180 6.471 ( 0.487 7.318 -1.700) 7.529 6.628 ( -1.051 -0.594 0.489) 1.303 6.676 ( 0.128 -1.884 -2.027) 2.770 6.824 ( 2.465 0.258 0.873) 2.628 6.923 ( -0.021 -0.107 5.825) 5.826 6.968 ( -4.331 0.336 3.351) 5.486 7.076 ( -4.944 1.670 2.760) 5.903 7.269 ( 2.710 -0.196 -1.830) 3.276 7.364 ( -2.074 2.245 -0.221) 3.064 7.445 ( 4.070 -3.768 1.493) 5.744 7.511 ( 3.869 -2.498 -2.872) 5.427 7.526 ( -0.083 -2.916 2.790) 4.037 7.680 ( -5.931 1.579 -3.693) 7.163 7.740 ( -1.352 -0.005 2.385) 2.742 7.874 ( -1.995 -2.141 3.755) 4.761 7.916 ( -4.463 1.074 -3.986) 6.079 7.931 ( 1.995 2.518 3.701) 4.901 8.170 ( -1.736 0.066 2.975) 3.445 8.237 ( -0.194 -0.014 -6.778) 6.780 8.321 ( -3.824 0.726 0.539) 3.929 8.429 ( 2.065 -0.756 -1.080) 2.450 8.507 ( 1.925 -2.838 -4.565) 5.709 8.621 ( 0.500 -3.279 2.751) 4.309 8.642 ( 0.040 1.160 0.689) 1.350 8.759 ( -0.665 -1.262 0.989) 1.736 8.849 ( -0.709 1.479 4.381) 4.678 8.965 ( 1.997 7.194 -1.057) 7.540 9.110 ( -0.383 -5.545 -2.189) 5.974 9.288 ( -1.405 12.477 1.355) 12.629 9.564 ( -3.072 -0.310 -3.147) 4.408 9.670 ( -1.580 -1.410 -1.149) 2.410 10.072 ( 2.462 4.828 2.850) 6.123 10.208 ( -3.253 -2.941 8.952) 9.969 10.697 ( 1.706 6.209 1.895) 6.713 10.840 ( 5.879 -2.099 -5.057) 8.034 10.958 ( 0.158 -15.234 4.331) 15.839 11.170 ( 7.127 -12.406 -0.277) 14.310 ======================= Grid point 280 (106/125) ======================= q-point: ( 0.78 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( -9.937 -6.437 -2.861) 12.180 2.741 ( -9.882 -3.809 14.447) 17.913 3.035 ( -10.063 10.189 5.186) 15.231 3.184 ( 1.882 -4.865 -4.711) 7.028 3.330 ( 5.937 2.340 -7.523) 9.865 3.498 ( 1.829 7.516 5.922) 9.742 3.612 ( 2.590 -0.965 -1.034) 2.951 3.827 ( -2.318 3.434 -2.761) 4.979 3.877 ( 9.051 -13.644 8.420) 18.411 3.989 ( -5.482 -8.686 9.270) 13.836 4.198 ( 0.737 1.335 -0.098) 1.528 4.311 ( 1.579 1.673 -8.684) 8.984 4.513 ( -13.268 -6.587 -0.101) 14.814 4.577 ( -3.025 -9.634 -12.940) 16.414 4.858 ( -3.798 -0.416 2.146) 4.383 4.882 ( -5.361 -2.862 -3.312) 6.921 5.070 ( 2.514 2.397 -0.542) 3.516 5.148 ( 1.956 2.895 -2.485) 4.287 5.188 ( 0.141 0.592 -2.806) 2.871 5.376 ( -0.239 1.204 8.411) 8.500 5.576 ( -2.216 1.331 1.697) 3.092 5.620 ( -1.249 -2.356 -0.489) 2.711 6.501 ( 0.405 6.564 0.602) 6.604 6.522 ( 1.225 5.793 -0.337) 5.931 6.621 ( -0.303 -2.421 -1.480) 2.854 6.656 ( -0.398 -0.526 -1.262) 1.424 6.798 ( 0.344 -0.233 -0.415) 0.587 6.943 ( 0.056 -0.983 4.393) 4.502 7.048 ( -1.841 1.321 4.354) 4.908 7.216 ( 0.233 1.043 0.057) 1.071 7.254 ( -6.009 3.325 4.117) 8.007 7.349 ( 5.736 0.299 -3.047) 6.501 7.362 ( 2.725 -2.408 0.875) 3.741 7.465 ( -2.316 -0.528 2.305) 3.310 7.543 ( -5.490 -4.246 5.341) 8.758 7.773 ( -0.457 0.695 4.538) 4.614 7.783 ( -2.986 4.976 -2.376) 6.270 7.883 ( 0.236 -1.874 1.394) 2.348 7.935 ( -1.572 0.946 -3.026) 3.539 8.021 ( -9.761 0.591 -0.962) 9.826 8.206 ( -4.256 -1.561 -2.110) 5.000 8.246 ( -1.128 5.028 -3.951) 6.494 8.330 ( 4.466 -0.676 -0.014) 4.517 8.371 ( -0.219 -2.881 -8.695) 9.162 8.500 ( -4.925 1.445 0.520) 5.159 8.597 ( 0.812 -2.043 7.381) 7.701 8.701 ( 0.366 -1.076 0.264) 1.166 8.737 ( -3.362 -2.796 -0.416) 4.392 8.857 ( 0.443 -0.102 0.276) 0.531 8.911 ( 0.882 -1.526 -6.786) 7.011 9.068 ( -0.153 -4.773 4.100) 6.294 9.450 ( 1.138 5.789 9.639) 11.301 9.624 ( -4.189 2.038 -1.516) 4.899 9.743 ( -4.607 8.484 -6.018) 11.376 10.126 ( 0.419 6.531 1.281) 6.668 10.265 ( 0.909 0.738 5.643) 5.764 10.627 ( 11.078 4.081 -2.728) 12.117 10.766 ( 3.313 -6.339 4.350) 8.371 10.783 ( 4.793 -11.231 0.476) 12.220 10.929 ( 4.149 -7.524 -1.757) 8.770 ======================= Grid point 281 (107/125) ======================= q-point: (-0.11 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( -8.814 -0.000 -1.351) 8.917 2.830 ( 3.715 -0.000 13.126) 13.641 2.984 ( 14.524 -0.000 3.010) 14.833 3.136 ( 2.440 0.000 -7.609) 7.990 3.364 ( -8.842 0.000 -5.051) 10.183 3.474 ( 19.263 0.000 0.882) 19.284 3.672 ( -12.317 -0.000 6.940) 14.138 3.725 ( -2.484 -0.000 5.950) 6.447 3.919 ( -6.382 0.000 -2.701) 6.930 3.955 ( 2.853 0.000 -12.587) 12.906 4.255 ( -2.125 -0.000 4.079) 4.599 4.311 ( -7.921 -0.000 4.005) 8.876 4.505 ( -1.632 0.000 -11.820) 11.932 4.674 ( -7.575 -0.000 4.491) 8.807 4.923 ( -3.371 0.000 -0.682) 3.439 4.949 ( -7.823 -0.000 -0.388) 7.832 4.977 ( 8.610 0.000 0.013) 8.610 5.083 ( 5.588 0.000 0.483) 5.608 5.305 ( -14.141 0.000 -6.742) 15.666 5.405 ( 2.537 -0.000 7.198) 7.632 5.613 ( 1.023 -0.000 3.660) 3.800 5.618 ( -2.493 0.000 -3.727) 4.484 6.530 ( 3.182 -0.000 0.629) 3.244 6.543 ( -0.204 -0.000 1.404) 1.419 6.597 ( -0.958 0.000 -2.009) 2.226 6.653 ( -0.242 0.000 -1.319) 1.341 6.810 ( -2.537 0.000 -0.801) 2.660 6.951 ( -0.053 -0.000 2.006) 2.007 7.108 ( -2.468 -0.000 2.663) 3.630 7.207 ( 3.092 0.000 -1.509) 3.441 7.226 ( 3.577 0.000 -0.657) 3.637 7.274 ( 4.754 -0.000 2.001) 5.158 7.369 ( -0.867 -0.000 1.011) 1.332 7.562 ( -4.057 -0.000 1.551) 4.344 7.647 ( -2.074 -0.000 10.099) 10.310 7.797 ( 0.897 0.000 -7.389) 7.443 7.807 ( -1.504 -0.000 10.244) 10.353 7.918 ( -4.188 -0.000 -0.289) 4.198 7.958 ( -2.517 0.000 -1.264) 2.816 8.147 ( 0.825 0.000 -8.729) 8.768 8.256 ( 3.254 0.000 -0.026) 3.254 8.275 ( -3.234 0.000 -1.994) 3.800 8.295 ( -14.128 0.000 -2.876) 14.418 8.351 ( -2.336 -0.000 1.737) 2.911 8.578 ( -0.075 -0.000 6.354) 6.355 8.614 ( -6.203 -0.000 3.960) 7.359 8.666 ( -3.641 0.000 -4.098) 5.481 8.814 ( -1.821 -0.000 1.093) 2.124 8.886 ( -6.942 0.000 -4.249) 8.139 8.901 ( -5.482 0.000 -8.614) 10.211 9.041 ( 1.954 -0.000 2.979) 3.563 9.498 ( 2.277 -0.000 9.415) 9.686 9.695 ( -4.337 -0.000 0.543) 4.371 9.806 ( 0.644 0.000 -7.722) 7.748 10.169 ( 0.523 -0.000 0.363) 0.637 10.204 ( 10.833 0.000 1.858) 10.991 10.461 ( 15.773 0.000 1.240) 15.822 10.602 ( 5.736 0.000 -3.658) 6.804 10.655 ( 3.342 -0.000 2.635) 4.256 10.951 ( -8.363 -0.000 2.782) 8.813 ======================= Grid point 282 (108/125) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( -9.062 0.000 -0.000) 9.062 2.922 ( 4.754 -0.000 0.000) 4.754 3.002 ( 14.252 -0.000 0.000) 14.252 3.069 ( 1.085 -0.000 0.000) 1.085 3.335 ( -8.278 0.000 -0.000) 8.278 3.481 ( 17.538 -0.000 0.000) 17.538 3.737 ( -11.294 0.000 -0.000) 11.294 3.766 ( -1.833 0.000 -0.000) 1.833 3.856 ( 7.354 -0.000 0.000) 7.354 3.898 ( -6.679 0.000 -0.000) 6.679 4.282 ( -2.004 0.000 -0.000) 2.004 4.340 ( -9.879 0.000 -0.000) 9.879 4.436 ( -1.778 0.000 -0.000) 1.778 4.694 ( -10.611 0.000 -0.000) 10.611 4.920 ( -3.969 0.000 -0.000) 3.969 4.948 ( -5.843 0.000 -0.000) 5.843 4.977 ( 9.116 -0.000 0.000) 9.116 5.086 ( 5.964 -0.000 0.000) 5.964 5.269 ( -14.369 0.000 -0.000) 14.369 5.445 ( 2.853 -0.000 0.000) 2.853 5.595 ( -2.822 0.000 -0.000) 2.822 5.632 ( 1.026 -0.000 0.000) 1.026 6.533 ( 3.223 -0.000 0.000) 3.223 6.552 ( -0.187 0.000 -0.000) 0.187 6.584 ( -1.377 0.000 -0.000) 1.377 6.646 ( -0.102 0.000 -0.000) 0.102 6.805 ( -2.616 0.000 -0.000) 2.616 6.961 ( 0.269 -0.000 0.000) 0.269 7.122 ( -0.742 0.000 -0.000) 0.742 7.201 ( 6.745 -0.000 0.000) 6.745 7.223 ( -2.178 0.000 -0.000) 2.178 7.284 ( 5.143 -0.000 0.000) 5.143 7.374 ( -0.367 0.000 -0.000) 0.367 7.570 ( -4.122 0.000 -0.000) 4.122 7.706 ( 0.488 -0.000 0.000) 0.488 7.754 ( 2.500 -0.000 0.000) 2.500 7.898 ( -8.807 0.000 -0.000) 8.807 7.901 ( -3.286 0.000 -0.000) 3.286 7.953 ( -3.054 0.000 -0.000) 3.054 8.065 ( 5.577 -0.000 0.000) 5.577 8.255 ( 2.711 -0.000 0.000) 2.711 8.268 ( -4.255 0.000 -0.000) 4.255 8.285 ( -18.112 0.000 -0.000) 18.112 8.361 ( -2.462 0.000 -0.000) 2.462 8.600 ( -2.608 0.000 -0.000) 2.608 8.637 ( -8.125 0.000 -0.000) 8.125 8.669 ( 3.015 -0.000 0.000) 3.015 8.821 ( 3.189 -0.000 0.000) 3.189 8.842 ( -6.592 0.000 -0.000) 6.592 8.860 ( -8.920 0.000 -0.000) 8.920 9.059 ( 2.417 -0.000 0.000) 2.417 9.557 ( 2.996 -0.000 0.000) 2.996 9.698 ( -4.581 0.000 -0.000) 4.581 9.756 ( -0.139 0.000 -0.000) 0.139 10.171 ( 0.363 -0.000 0.000) 0.363 10.213 ( 10.990 -0.000 0.000) 10.990 10.469 ( 15.737 -0.000 0.000) 15.737 10.582 ( 6.152 -0.000 0.000) 6.152 10.668 ( 4.092 -0.000 0.000) 4.092 10.965 ( -9.693 0.000 -0.000) 9.693 ======================= Grid point 288 (109/125) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( -0.000 11.462 12.757) 17.150 2.481 ( -0.000 14.988 6.883) 16.493 2.505 ( -0.000 -2.852 3.362) 4.409 3.123 ( -0.000 7.270 -15.985) 17.561 3.433 ( -0.000 0.710 1.625) 1.773 3.470 ( -0.000 1.392 -2.569) 2.922 3.661 ( -0.000 17.897 9.849) 20.428 3.893 ( -0.000 -10.939 -1.791) 11.085 4.002 ( -0.000 -10.243 13.220) 16.724 4.014 ( -0.000 1.203 3.818) 4.003 4.225 ( -0.000 -2.552 7.940) 8.340 4.434 ( -0.000 -12.173 -7.474) 14.285 4.624 ( -0.000 8.644 -17.881) 19.861 4.756 ( -0.000 -0.306 -14.569) 14.572 4.901 ( -0.000 -11.238 1.428) 11.328 4.954 ( -0.000 -28.078 -1.659) 28.127 5.115 ( -0.000 1.992 9.062) 9.279 5.138 ( 0.000 -0.786 1.595) 1.778 5.191 ( 0.000 0.649 0.486) 0.811 5.283 ( -0.000 -2.757 0.562) 2.813 5.554 ( -0.000 -2.756 3.253) 4.264 5.652 ( -0.000 -2.930 -3.606) 4.646 6.314 ( 0.000 9.661 1.389) 9.761 6.375 ( -0.000 7.862 -2.570) 8.272 6.631 ( -0.000 -0.734 1.536) 1.703 6.686 ( -0.000 -1.573 -2.291) 2.779 6.843 ( -0.000 3.549 4.162) 5.470 6.936 ( -0.000 -1.892 0.385) 1.931 6.961 ( -0.000 -1.690 3.637) 4.010 7.031 ( -0.000 2.371 0.482) 2.419 7.281 ( -0.000 1.800 -0.268) 1.820 7.313 ( 0.000 2.130 -1.274) 2.482 7.528 ( -0.000 -0.865 0.115) 0.873 7.537 ( -0.000 1.234 -2.726) 2.993 7.586 ( -0.000 -3.570 -0.319) 3.585 7.587 ( 0.000 -2.502 -1.597) 2.968 7.744 ( -0.000 -0.474 1.335) 1.417 7.831 ( -0.000 1.261 -5.122) 5.275 7.932 ( -0.000 -5.345 5.231) 7.479 7.951 ( 0.000 1.770 6.852) 7.077 8.158 ( -0.000 2.124 1.849) 2.816 8.257 ( -0.000 -0.487 -5.377) 5.399 8.264 ( -0.000 -5.399 1.700) 5.660 8.457 ( 0.000 -4.478 -5.348) 6.975 8.554 ( -0.000 -1.216 2.100) 2.426 8.628 ( -0.000 1.560 3.117) 3.486 8.693 ( -0.000 2.214 1.379) 2.609 8.754 ( 0.000 -0.823 -0.533) 0.980 8.845 ( -0.000 0.083 8.250) 8.250 8.885 ( -0.000 9.127 6.822) 11.395 9.122 ( 0.000 -4.747 -8.734) 9.941 9.140 ( -0.000 7.345 -7.336) 10.381 9.546 ( -0.000 -2.653 -2.943) 3.962 9.639 ( -0.000 3.262 -6.038) 6.863 10.131 ( -0.000 -0.653 11.270) 11.289 10.270 ( 0.000 -7.432 4.874) 8.888 10.643 ( -0.000 6.868 4.140) 8.019 10.844 ( -0.000 1.661 -10.645) 10.774 11.183 ( -0.000 -17.290 8.855) 19.425 11.357 ( -0.000 -11.571 -0.499) 11.582 ======================= Grid point 289 (110/125) ======================= q-point: ( 0.78 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( -1.733 -3.192 1.499) 3.929 2.578 ( -21.594 -4.293 1.316) 22.056 2.810 ( -4.086 14.949 15.891) 22.196 3.124 ( -3.757 1.631 -12.959) 13.590 3.400 ( 9.865 8.331 -1.953) 13.059 3.513 ( 3.640 7.859 5.211) 10.108 3.707 ( 3.550 -7.583 1.414) 8.491 3.800 ( 0.527 -2.924 -4.030) 5.006 3.996 ( -5.630 -9.422 12.190) 16.403 4.105 ( 2.133 3.330 5.470) 6.750 4.204 ( -3.764 -0.163 -0.003) 3.767 4.370 ( -0.550 -9.042 0.965) 9.110 4.471 ( 2.547 -13.359 -6.406) 15.033 4.646 ( 1.824 -11.505 -12.934) 17.406 4.766 ( -7.400 -5.369 -5.434) 10.635 4.797 ( -8.906 -9.780 -3.306) 13.634 5.084 ( 5.884 2.206 3.171) 7.039 5.164 ( 3.668 3.433 -0.694) 5.072 5.221 ( 2.188 2.936 2.628) 4.507 5.354 ( -4.461 2.302 4.606) 6.813 5.547 ( -0.635 -0.980 0.938) 1.498 5.623 ( -1.775 -2.509 -1.219) 3.307 6.416 ( 0.825 9.903 0.393) 9.945 6.455 ( 0.056 7.867 -1.331) 7.979 6.633 ( -0.481 -1.435 0.474) 1.586 6.658 ( -0.124 -1.517 -1.430) 2.089 6.830 ( 3.281 -0.382 0.453) 3.334 6.975 ( -0.385 -1.254 3.357) 3.604 7.010 ( -4.120 3.354 5.464) 7.621 7.094 ( -5.276 4.024 0.175) 6.638 7.256 ( 3.068 -0.191 -0.470) 3.109 7.358 ( -1.300 2.043 -1.006) 2.622 7.455 ( 3.392 -2.489 0.038) 4.207 7.478 ( 3.221 -3.279 -2.367) 5.170 7.563 ( -2.322 -3.056 3.923) 5.488 7.646 ( -5.820 2.077 -3.053) 6.893 7.759 ( -0.600 1.082 1.433) 1.893 7.858 ( -2.654 2.706 -3.997) 5.509 7.932 ( -2.472 -3.444 4.598) 6.255 7.972 ( 1.031 -0.606 3.667) 3.857 8.144 ( 0.072 -1.273 -7.231) 7.343 8.226 ( -0.403 -1.163 4.224) 4.400 8.318 ( -5.419 0.241 -1.587) 5.652 8.379 ( -2.057 -3.410 -5.672) 6.931 8.497 ( 8.321 -1.246 0.298) 8.419 8.644 ( -0.322 0.455 0.789) 0.966 8.668 ( -2.337 -2.096 4.775) 5.715 8.766 ( -0.514 -2.029 0.371) 2.126 8.883 ( -0.579 -1.307 2.090) 2.533 8.931 ( 3.304 -1.813 -4.878) 6.165 9.113 ( -1.508 2.381 2.557) 3.806 9.298 ( -4.207 18.102 0.015) 18.584 9.554 ( -0.977 1.411 1.439) 2.239 9.642 ( -0.871 1.384 -4.101) 4.415 10.105 ( 4.626 2.976 3.096) 6.312 10.285 ( -3.823 -3.517 5.794) 7.782 10.692 ( 5.347 4.616 -2.357) 7.447 10.803 ( -0.130 0.413 -1.810) 1.861 11.019 ( 3.704 -15.864 6.823) 17.662 11.150 ( 6.176 -14.091 -3.415) 15.759 ======================= Grid point 290 (111/125) ======================= q-point: ( 0.89 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( -10.164 -7.113 -1.018) 12.448 2.870 ( -15.858 -7.728 9.208) 19.900 3.062 ( -5.722 4.199 -1.290) 7.214 3.147 ( -1.804 6.302 -0.418) 6.568 3.258 ( 12.951 3.435 -5.209) 14.376 3.537 ( -0.006 -4.718 1.105) 4.846 3.634 ( 5.512 10.886 4.099) 12.872 3.788 ( -2.098 3.972 -3.779) 5.871 3.963 ( 5.380 -10.890 7.816) 14.444 4.041 ( 7.872 -11.483 -1.324) 13.985 4.175 ( -1.002 3.889 -1.605) 4.325 4.312 ( -4.192 -2.472 7.824) 9.214 4.430 ( -3.656 -9.157 -13.026) 16.337 4.510 ( -15.598 -8.839 -1.573) 17.997 4.850 ( -7.282 -2.793 -0.913) 7.852 4.880 ( -6.381 0.640 0.239) 6.418 5.077 ( 0.855 2.964 1.898) 3.622 5.109 ( 3.370 2.549 -3.512) 5.494 5.184 ( 4.775 -0.267 0.310) 4.792 5.444 ( -0.658 1.709 4.213) 4.594 5.562 ( -2.145 0.117 -2.187) 3.065 5.632 ( -1.156 -0.864 1.230) 1.896 6.507 ( 0.119 6.992 0.420) 7.006 6.517 ( 0.971 6.152 -0.471) 6.246 6.610 ( -0.136 -3.189 -0.519) 3.234 6.648 ( -0.260 -0.558 -0.435) 0.753 6.794 ( 0.782 -0.203 -0.280) 0.855 6.973 ( 0.462 -1.218 1.463) 1.959 7.092 ( -0.850 1.895 3.045) 3.686 7.216 ( 1.136 -0.391 0.465) 1.288 7.272 ( -1.209 5.001 -1.182) 5.279 7.329 ( -1.011 1.752 -0.212) 2.034 7.371 ( 4.233 -2.665 0.668) 5.046 7.484 ( -3.321 0.841 1.105) 3.600 7.596 ( -9.441 -5.973 3.914) 11.838 7.771 ( -0.880 5.705 0.690) 5.814 7.789 ( -3.134 3.030 -1.124) 4.502 7.896 ( 3.340 -2.533 0.866) 4.280 7.909 ( -3.384 0.502 -1.789) 3.860 8.030 ( -6.991 -0.924 2.347) 7.432 8.135 ( -6.301 -1.125 -7.531) 9.883 8.236 ( -1.380 -1.454 0.231) 2.018 8.321 ( -0.282 0.825 -1.842) 2.038 8.331 ( 6.985 -0.999 0.082) 7.057 8.497 ( -8.503 1.617 -0.369) 8.663 8.681 ( 0.990 1.348 5.058) 5.327 8.707 ( 3.266 -6.265 3.359) 7.823 8.742 ( -5.884 -1.236 1.558) 6.211 8.816 ( -0.073 -3.053 -9.565) 10.041 8.863 ( 1.929 -0.284 -0.047) 1.950 9.109 ( 1.462 -3.441 2.500) 4.498 9.544 ( -0.351 5.927 8.326) 10.226 9.605 ( -4.524 5.505 -2.796) 7.654 9.682 ( -2.066 6.840 -4.761) 8.586 10.138 ( 1.223 6.981 0.759) 7.128 10.303 ( 2.271 -0.189 1.848) 2.934 10.606 ( 10.741 7.238 -1.124) 13.001 10.762 ( 4.186 -12.367 -0.720) 13.076 10.840 ( 4.317 -9.784 5.948) 12.237 10.898 ( 2.223 -5.966 -4.077) 7.561 ======================= Grid point 298 (112/125) ======================= q-point: ( 0.78 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( -0.000 6.511 14.472) 15.869 2.347 ( -0.000 1.247 -14.803) 14.856 2.730 ( -0.000 12.868 22.339) 25.780 2.943 ( -0.000 10.075 -19.315) 21.785 3.440 ( -0.000 3.993 0.436) 4.017 3.449 ( -0.000 3.553 -1.519) 3.864 3.776 ( -0.000 3.710 10.939) 11.551 3.859 ( -0.000 -7.213 -5.253) 8.923 4.066 ( -0.000 3.269 6.279) 7.079 4.102 ( 0.000 -2.995 3.127) 4.330 4.290 ( -0.000 -6.029 4.989) 7.825 4.356 ( 0.000 -11.392 -7.716) 13.759 4.514 ( 0.000 5.235 -0.222) 5.240 4.603 ( -0.000 0.005 -14.194) 14.194 4.918 ( -0.000 -17.325 1.779) 17.416 4.936 ( -0.000 -23.011 -1.756) 23.077 5.152 ( -0.000 -1.840 1.119) 2.153 5.158 ( -0.000 -2.028 0.338) 2.056 5.232 ( -0.000 3.606 5.829) 6.854 5.275 ( -0.000 1.280 -2.396) 2.716 5.585 ( -0.000 -2.764 2.896) 4.004 5.616 ( -0.000 -2.602 -3.357) 4.248 6.330 ( 0.000 8.898 1.760) 9.070 6.350 ( -0.000 8.223 -2.268) 8.530 6.647 ( 0.000 -1.053 1.614) 1.927 6.665 ( -0.000 -1.364 -1.904) 2.342 6.889 ( -0.000 2.230 4.432) 4.962 6.925 ( -0.000 -0.155 -2.469) 2.474 6.997 ( -0.000 0.456 3.318) 3.350 7.025 ( -0.000 2.445 -1.820) 3.048 7.286 ( 0.000 1.798 1.092) 2.104 7.299 ( -0.000 2.089 -1.385) 2.506 7.515 ( -0.000 1.876 -0.716) 2.008 7.521 ( -0.000 0.907 -1.259) 1.552 7.581 ( -0.000 -4.171 -0.010) 4.171 7.582 ( -0.000 -4.574 -0.196) 4.579 7.761 ( 0.000 0.623 1.955) 2.052 7.787 ( 0.000 1.363 -3.393) 3.657 7.983 ( -0.000 -4.825 4.260) 6.436 8.000 ( -0.000 -2.148 1.808) 2.808 8.168 ( -0.000 1.402 1.322) 1.927 8.202 ( -0.000 0.893 -5.041) 5.120 8.304 ( 0.000 -5.977 6.087) 8.530 8.379 ( -0.000 -5.700 -8.222) 10.004 8.598 ( -0.000 0.000 4.646) 4.646 8.634 ( -0.000 0.248 -1.980) 1.995 8.720 ( -0.000 0.305 3.152) 3.167 8.744 ( -0.000 -0.894 -1.571) 1.808 8.927 ( -0.000 -5.184 7.919) 9.465 8.971 ( 0.000 13.820 9.867) 16.980 9.016 ( -0.000 -8.564 -9.795) 13.011 9.068 ( -0.000 14.128 -8.558) 16.518 9.542 ( -0.000 1.132 1.968) 2.271 9.580 ( -0.000 3.589 -5.137) 6.266 10.235 ( -0.000 -4.104 8.376) 9.328 10.288 ( -0.000 -6.487 -1.681) 6.701 10.685 ( -0.000 5.350 4.684) 7.110 10.748 ( -0.000 3.834 -7.864) 8.749 11.269 ( 0.000 -15.922 7.591) 17.639 11.331 ( -0.000 -13.895 -4.449) 14.590 ======================= Grid point 299 (113/125) ======================= q-point: ( 0.89 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.166 ( -0.187 -5.385 0.000) 5.388 2.582 ( -24.550 -0.943 -0.000) 24.568 2.968 ( -2.664 7.504 -0.000) 7.963 2.983 ( -3.855 8.372 -0.000) 9.217 3.389 ( 11.760 9.718 0.000) 15.256 3.545 ( 1.994 8.918 -0.000) 9.138 3.715 ( 3.792 -8.237 0.000) 9.068 3.776 ( 0.723 -5.222 0.000) 5.272 4.070 ( -2.757 -9.807 0.000) 10.187 4.149 ( 4.412 1.508 0.000) 4.662 4.184 ( -6.859 0.930 -0.000) 6.922 4.395 ( -3.869 -6.619 -0.000) 7.667 4.427 ( 3.449 -11.610 0.000) 12.111 4.557 ( 2.188 -10.526 0.000) 10.751 4.739 ( -8.414 -7.398 -0.000) 11.204 4.782 ( -9.028 -12.652 -0.000) 15.543 5.102 ( 6.539 2.911 0.000) 7.158 5.160 ( 3.920 3.114 0.000) 5.006 5.235 ( 2.980 2.402 0.000) 3.827 5.380 ( -5.360 2.940 -0.000) 6.113 5.550 ( 0.573 -1.280 0.000) 1.402 5.617 ( -2.713 -1.968 -0.000) 3.352 6.419 ( 1.009 9.749 -0.000) 9.801 6.447 ( -0.177 8.141 -0.000) 8.143 6.636 ( -0.065 -2.173 0.000) 2.174 6.650 ( -0.440 -0.957 -0.000) 1.054 6.833 ( 3.627 -0.682 0.000) 3.690 6.990 ( -1.595 -1.827 -0.000) 2.425 7.058 ( -1.015 3.161 -0.000) 3.320 7.079 ( -7.261 6.895 -0.000) 10.013 7.256 ( 3.047 -0.203 0.000) 3.053 7.350 ( -0.166 1.508 -0.000) 1.517 7.450 ( 1.424 -1.108 0.000) 1.804 7.471 ( 3.837 -3.882 0.000) 5.458 7.593 ( -3.543 -5.628 -0.000) 6.651 7.622 ( -6.070 4.116 -0.000) 7.334 7.767 ( 1.060 2.535 0.000) 2.748 7.834 ( -3.276 2.014 -0.000) 3.846 7.962 ( 0.247 -2.220 0.000) 2.234 7.996 ( -3.917 -4.197 -0.000) 5.741 8.094 ( 3.308 -0.826 0.000) 3.409 8.268 ( 0.391 -4.420 0.000) 4.437 8.289 ( -3.093 0.969 -0.000) 3.241 8.350 ( -7.308 -0.898 -0.000) 7.363 8.498 ( 11.094 -2.058 0.000) 11.283 8.648 ( -2.218 0.651 -0.000) 2.311 8.700 ( -3.101 -1.327 -0.000) 3.373 8.768 ( -0.391 -2.304 0.000) 2.337 8.894 ( 1.570 -6.289 0.000) 6.482 8.897 ( 1.145 -2.030 0.000) 2.331 9.133 ( 0.402 4.808 -0.000) 4.825 9.294 ( -6.627 20.352 -0.000) 21.404 9.578 ( 0.884 1.787 0.000) 1.994 9.605 ( -1.316 3.238 -0.000) 3.495 10.123 ( 5.432 2.034 0.000) 5.800 10.317 ( -4.365 -4.223 -0.000) 6.074 10.675 ( 7.515 5.113 0.000) 9.090 10.796 ( -2.848 0.400 -0.000) 2.876 11.071 ( 6.752 -14.754 0.000) 16.226 11.116 ( 4.024 -15.662 0.000) 16.170 ======================= Grid point 325 (114/125) ======================= q-point: ( 0.44 0.78 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.401 ( -4.203 0.000 5.438) 6.873 2.470 ( -1.786 -0.000 -8.207) 8.399 2.978 ( 16.574 -0.000 4.719) 17.233 3.040 ( 16.278 0.000 -7.187) 17.794 3.442 ( -10.894 0.000 1.668) 11.021 3.467 ( -10.306 -0.000 -3.004) 10.735 3.735 ( -3.242 0.000 6.288) 7.075 3.762 ( -6.953 0.000 1.783) 7.178 3.922 ( -9.732 0.000 -0.609) 9.751 3.939 ( -14.168 -0.000 -3.832) 14.677 4.213 ( 2.008 0.000 5.835) 6.171 4.303 ( 2.621 -0.000 -10.950) 11.259 4.720 ( 7.855 0.000 18.440) 20.043 4.862 ( -1.341 -0.000 3.108) 3.385 4.897 ( 2.641 0.000 -11.230) 11.536 4.908 ( -5.986 -0.000 -3.104) 6.743 5.027 ( 1.099 0.000 2.232) 2.488 5.048 ( 1.870 -0.000 -1.848) 2.629 5.196 ( 0.082 0.000 7.803) 7.803 5.306 ( -0.926 -0.000 -11.818) 11.854 5.633 ( -7.299 0.000 6.655) 9.877 5.681 ( -5.523 -0.000 -2.467) 6.049 6.503 ( 1.924 0.000 -0.405) 1.967 6.504 ( 1.218 -0.000 -0.606) 1.360 6.684 ( -0.456 0.000 2.685) 2.723 6.701 ( -0.902 -0.000 -0.367) 0.974 6.817 ( -2.554 -0.000 0.371) 2.580 6.833 ( -2.563 0.000 -2.859) 3.839 7.100 ( -3.511 -0.000 3.570) 5.007 7.142 ( -1.775 0.000 -4.587) 4.919 7.281 ( 8.935 -0.000 3.213) 9.495 7.311 ( 3.378 0.000 -2.232) 4.049 7.348 ( -3.010 0.000 5.882) 6.607 7.410 ( -0.580 -0.000 -6.271) 6.298 7.471 ( -2.919 0.000 -0.816) 3.031 7.494 ( -1.443 0.000 -5.657) 5.838 7.890 ( -2.334 0.000 0.340) 2.359 7.895 ( -2.375 0.000 -0.753) 2.491 8.154 ( -5.279 0.000 1.489) 5.485 8.159 ( -4.285 -0.000 -0.303) 4.296 8.296 ( 1.877 0.000 2.950) 3.496 8.317 ( -1.803 -0.000 -1.434) 2.304 8.349 ( 4.341 -0.000 6.168) 7.543 8.401 ( -1.777 -0.000 -2.220) 2.843 8.471 ( 6.642 0.000 0.138) 6.643 8.489 ( -1.256 -0.000 -3.038) 3.287 8.781 ( -7.375 -0.000 0.412) 7.386 8.801 ( -7.707 0.000 -3.642) 8.524 8.948 ( -11.824 0.000 6.542) 13.514 8.994 ( -13.520 -0.000 -1.740) 13.631 9.188 ( -2.861 0.000 3.216) 4.304 9.221 ( 0.163 -0.000 -4.471) 4.474 9.797 ( -0.114 0.000 10.270) 10.271 9.902 ( 1.749 -0.000 -8.564) 8.741 10.109 ( 5.213 0.000 1.256) 5.362 10.131 ( 3.703 -0.000 -2.433) 4.431 10.476 ( 9.529 0.000 3.105) 10.022 10.516 ( 5.273 0.000 -4.558) 6.970 10.752 ( 2.676 0.000 5.145) 5.799 10.805 ( 1.253 -0.000 -5.286) 5.433 ======================= Grid point 335 (115/125) ======================= q-point: ( 0.44 -0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.341 ( -11.092 0.315 -0.000) 11.097 2.379 ( -5.680 -3.977 -0.000) 6.934 2.929 ( -13.108 11.019 -0.000) 17.124 3.218 ( 4.640 -12.339 0.000) 13.183 3.328 ( 6.325 11.887 0.000) 13.465 3.604 ( 0.335 -5.882 0.000) 5.892 3.612 ( -11.865 -1.823 -0.000) 12.005 3.713 ( 3.682 -12.332 0.000) 12.870 3.783 ( -4.790 1.310 -0.000) 4.966 3.900 ( 1.387 -9.539 0.000) 9.639 4.253 ( -0.335 4.880 -0.000) 4.892 4.337 ( 3.171 -4.951 0.000) 5.879 4.627 ( -8.597 8.131 -0.000) 11.833 4.748 ( -4.391 2.448 -0.000) 5.027 4.928 ( -1.989 -6.335 0.000) 6.640 4.942 ( -2.536 -11.980 0.000) 12.246 5.103 ( 5.358 3.376 0.000) 6.333 5.107 ( 4.752 3.280 0.000) 5.774 5.205 ( -0.079 2.589 -0.000) 2.590 5.307 ( 0.899 -6.226 0.000) 6.291 5.482 ( -5.848 7.966 -0.000) 9.882 5.639 ( -5.134 -6.304 -0.000) 8.130 6.487 ( 0.430 6.370 -0.000) 6.384 6.509 ( 2.784 3.740 0.000) 4.663 6.665 ( -1.930 0.926 -0.000) 2.141 6.697 ( -0.738 -1.288 -0.000) 1.485 6.789 ( -0.170 -0.111 -0.000) 0.203 6.818 ( -1.105 -2.561 -0.000) 2.789 7.047 ( -6.296 1.818 -0.000) 6.553 7.079 ( -3.910 -0.699 -0.000) 3.972 7.258 ( 0.537 1.600 -0.000) 1.688 7.355 ( -1.342 -4.410 0.000) 4.609 7.389 ( 4.528 0.141 0.000) 4.530 7.433 ( -3.273 -0.823 -0.000) 3.375 7.498 ( 6.241 0.807 0.000) 6.293 7.534 ( 8.085 -2.499 0.000) 8.463 7.824 ( -4.907 0.469 -0.000) 4.929 7.850 ( -4.163 -1.476 -0.000) 4.417 8.020 ( -6.609 4.217 -0.000) 7.840 8.087 ( -7.238 -1.856 -0.000) 7.472 8.197 ( -1.555 7.612 -0.000) 7.769 8.320 ( 2.735 4.478 0.000) 5.247 8.335 ( -5.838 -2.307 -0.000) 6.277 8.395 ( 2.685 -0.335 0.000) 2.706 8.560 ( 11.569 7.385 0.000) 13.726 8.656 ( -6.288 1.349 -0.000) 6.431 8.709 ( -6.343 -3.806 -0.000) 7.397 8.774 ( 7.722 -7.703 0.000) 10.907 8.804 ( -8.097 -1.145 -0.000) 8.177 8.840 ( -0.983 -4.887 0.000) 4.985 9.107 ( 0.017 9.122 -0.000) 9.122 9.277 ( 0.121 -6.576 0.000) 6.577 9.766 ( -7.209 6.537 -0.000) 9.731 9.796 ( -5.522 2.137 -0.000) 5.921 10.010 ( -3.477 4.584 -0.000) 5.754 10.151 ( -3.081 -1.825 -0.000) 3.581 10.623 ( 7.647 4.914 0.000) 9.089 10.701 ( 10.648 -6.398 0.000) 12.422 10.873 ( 10.225 -6.586 0.000) 12.163 10.885 ( 1.229 -8.039 0.000) 8.132 ======================= Grid point 344 (116/125) ======================= q-point: ( 0.44 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.103 ( 0.000 6.383 -0.000) 6.383 2.253 ( -0.000 -7.596 0.000) 7.596 2.687 ( 0.000 17.967 -0.000) 17.967 3.125 ( -0.000 -19.228 0.000) 19.228 3.344 ( 0.000 1.981 -0.000) 1.981 3.425 ( -0.000 -5.378 0.000) 5.378 3.730 ( 0.000 2.525 -0.000) 2.525 3.858 ( 0.000 12.951 -0.000) 12.951 3.912 ( -0.000 -10.069 0.000) 10.069 3.990 ( 0.000 10.096 -0.000) 10.096 4.080 ( 0.000 0.575 -0.000) 0.575 4.297 ( -0.000 -26.327 0.000) 26.327 4.536 ( 0.000 6.613 -0.000) 6.613 4.796 ( -0.000 -15.371 0.000) 15.371 4.832 ( 0.000 0.038 -0.000) 0.038 4.840 ( -0.000 -0.636 0.000) 0.636 5.119 ( 0.000 3.266 -0.000) 3.266 5.146 ( 0.000 1.464 -0.000) 1.464 5.251 ( 0.000 3.182 -0.000) 3.182 5.334 ( -0.000 -4.160 0.000) 4.160 5.394 ( 0.000 7.134 -0.000) 7.134 5.556 ( -0.000 -7.842 0.000) 7.842 6.503 ( 0.000 7.558 -0.000) 7.558 6.560 ( 0.000 2.467 -0.000) 2.467 6.620 ( 0.000 2.440 -0.000) 2.440 6.685 ( -0.000 -3.134 0.000) 3.134 6.827 ( -0.000 -1.378 0.000) 1.378 6.831 ( -0.000 -1.706 0.000) 1.706 6.878 ( 0.000 4.598 -0.000) 4.598 6.970 ( -0.000 -3.123 0.000) 3.123 7.348 ( 0.000 1.718 -0.000) 1.718 7.354 ( 0.000 1.889 -0.000) 1.889 7.415 ( -0.000 -3.923 0.000) 3.923 7.429 ( -0.000 -5.919 0.000) 5.919 7.595 ( 0.000 1.854 -0.000) 1.854 7.653 ( -0.000 -3.141 0.000) 3.141 7.705 ( 0.000 1.569 -0.000) 1.569 7.749 ( -0.000 -2.576 0.000) 2.576 7.927 ( 0.000 3.723 -0.000) 3.723 7.957 ( 0.000 0.011 -0.000) 0.011 8.146 ( 0.000 4.938 -0.000) 4.938 8.261 ( -0.000 -4.686 0.000) 4.686 8.414 ( 0.000 1.600 -0.000) 1.600 8.422 ( 0.000 2.985 -0.000) 2.985 8.590 ( 0.000 0.877 -0.000) 0.877 8.616 ( 0.000 0.912 -0.000) 0.912 8.656 ( -0.000 -4.586 0.000) 4.586 8.661 ( -0.000 -2.314 0.000) 2.314 8.848 ( 0.000 10.611 -0.000) 10.611 9.135 ( -0.000 -13.662 0.000) 13.662 9.151 ( 0.000 20.224 -0.000) 20.224 9.347 ( 0.000 2.372 -0.000) 2.372 9.538 ( -0.000 -2.340 0.000) 2.340 9.568 ( -0.000 -5.094 0.000) 5.094 9.936 ( -0.000 -2.218 0.000) 2.218 10.027 ( -0.000 -6.240 0.000) 6.240 10.762 ( 0.000 11.415 -0.000) 11.415 10.830 ( 0.000 3.260 -0.000) 3.260 10.983 ( -0.000 -8.805 0.000) 8.805 11.051 ( -0.000 -12.252 0.000) 12.252 ======================= Grid point 345 (117/125) ======================= q-point: (-0.44 0.00 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( -5.180 0.000 -5.746) 7.736 2.260 ( -8.547 -0.000 7.531) 11.391 2.954 ( -5.590 -0.000 1.225) 5.723 2.960 ( -6.365 -0.000 2.128) 6.711 3.434 ( -7.506 -0.000 -0.823) 7.551 3.460 ( -9.035 -0.000 4.366) 10.035 3.756 ( 8.851 0.000 -2.445) 9.182 3.759 ( 18.873 0.000 -1.650) 18.945 3.816 ( -0.940 -0.000 1.065) 1.421 3.826 ( 10.219 -0.000 3.396) 10.769 4.246 ( -6.478 0.000 -2.570) 6.969 4.268 ( -10.915 -0.000 1.612) 11.034 4.592 ( -2.065 0.000 -6.966) 7.266 4.652 ( -1.187 -0.000 2.269) 2.561 4.809 ( 0.462 0.000 -8.565) 8.577 4.925 ( -3.390 -0.000 10.411) 10.950 5.138 ( -0.530 0.000 -3.429) 3.469 5.155 ( -0.636 0.000 -0.847) 1.059 5.264 ( 2.891 0.000 -0.935) 3.039 5.275 ( 0.863 0.000 -0.328) 0.924 5.487 ( -1.710 0.000 -0.339) 1.743 5.514 ( -3.825 -0.000 3.932) 5.485 6.546 ( 1.357 0.000 -0.357) 1.404 6.553 ( 1.062 -0.000 0.870) 1.373 6.656 ( -0.994 0.000 -1.135) 1.509 6.662 ( -1.242 -0.000 -0.024) 1.242 6.801 ( 1.580 0.000 0.121) 1.584 6.813 ( 1.040 -0.000 2.502) 2.710 6.970 ( -4.676 0.000 -1.223) 4.833 6.992 ( -6.417 -0.000 2.885) 7.036 7.309 ( 3.527 0.000 -1.957) 4.033 7.331 ( 3.677 -0.000 2.367) 4.372 7.399 ( -0.997 0.000 -1.347) 1.676 7.419 ( -0.754 -0.000 2.534) 2.643 7.575 ( 4.489 0.000 -4.831) 6.595 7.626 ( 1.600 -0.000 5.001) 5.251 7.759 ( -4.090 -0.000 -0.145) 4.092 7.765 ( -4.197 -0.000 1.050) 4.327 7.971 ( -3.301 0.000 -1.262) 3.534 7.981 ( -3.448 -0.000 0.378) 3.469 8.212 ( -2.002 0.000 -2.167) 2.950 8.236 ( -2.997 -0.000 2.439) 3.864 8.403 ( 2.803 0.000 -2.763) 3.936 8.435 ( 1.424 -0.000 3.645) 3.914 8.583 ( -1.994 0.000 -7.377) 7.641 8.603 ( -1.789 0.000 -3.927) 4.315 8.668 ( -3.165 -0.000 0.845) 3.275 8.691 ( -3.819 -0.000 4.389) 5.818 8.891 ( 9.322 0.000 -2.736) 9.716 8.932 ( 9.851 -0.000 5.298) 11.186 9.194 ( 5.643 0.000 -8.054) 9.834 9.277 ( 4.487 -0.000 8.529) 9.637 9.636 ( -9.068 0.000 -5.240) 10.473 9.682 ( -13.376 -0.000 2.630) 13.632 10.004 ( -5.419 -0.000 3.191) 6.289 10.005 ( -5.072 -0.000 3.951) 6.429 10.804 ( 7.446 0.000 -2.326) 7.801 10.825 ( 7.607 0.000 1.363) 7.728 10.882 ( 3.490 0.000 -3.035) 4.625 10.912 ( 2.782 -0.000 2.615) 3.819 ======================= Grid point 355 (118/125) ======================= q-point: ( 0.56 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( -0.000 5.823 1.903) 6.126 2.265 ( -0.000 -9.169 1.924) 9.368 2.708 ( -0.000 19.020 4.230) 19.485 3.129 ( 0.000 -17.517 0.739) 17.533 3.364 ( -0.000 2.388 3.860) 4.539 3.456 ( -0.000 -5.582 5.971) 8.174 3.725 ( 0.000 2.186 -0.723) 2.303 3.847 ( -0.000 12.878 -2.109) 13.050 3.890 ( 0.000 -7.258 -3.691) 8.143 4.011 ( -0.000 7.440 3.497) 8.221 4.096 ( -0.000 0.263 3.018) 3.030 4.295 ( 0.000 -26.471 -0.544) 26.477 4.480 ( -0.000 5.544 -8.765) 10.372 4.706 ( -0.000 -12.245 -10.320) 16.014 4.883 ( -0.000 -0.074 6.774) 6.775 4.911 ( 0.000 -3.435 5.372) 6.377 5.091 ( -0.000 3.220 -4.105) 5.217 5.119 ( 0.000 1.094 -3.819) 3.973 5.246 ( -0.000 3.274 -0.583) 3.325 5.302 ( -0.000 -0.167 -2.782) 2.787 5.442 ( -0.000 3.183 5.956) 6.753 5.566 ( -0.000 -6.905 1.613) 7.091 6.506 ( -0.000 7.471 0.428) 7.483 6.557 ( -0.000 3.007 -0.583) 3.063 6.620 ( -0.000 1.910 -0.055) 1.910 6.678 ( -0.000 -2.960 -1.254) 3.215 6.841 ( 0.000 -1.370 2.688) 3.017 6.844 ( 0.000 -1.582 2.417) 2.888 6.885 ( -0.000 4.806 1.328) 4.986 6.979 ( 0.000 -3.135 1.749) 3.590 7.347 ( -3.245 1.509 -0.926) 3.697 7.347 ( 3.245 1.372 -0.654) 3.584 7.426 ( 0.000 -3.501 1.863) 3.966 7.437 ( 0.000 -5.164 1.418) 5.355 7.589 ( -0.000 1.593 -1.246) 2.023 7.647 ( -0.000 -3.403 -1.319) 3.649 7.708 ( 0.000 2.153 0.756) 2.282 7.761 ( -0.000 -2.790 2.238) 3.576 7.935 ( -0.000 3.046 1.498) 3.394 7.951 ( 0.000 0.725 -1.262) 1.455 8.152 ( 0.000 4.667 1.164) 4.810 8.259 ( 0.000 -4.288 -0.347) 4.302 8.396 ( 0.000 4.172 -5.171) 6.644 8.422 ( 0.000 0.783 1.245) 1.471 8.556 ( 0.000 -1.852 -2.168) 2.851 8.583 ( 0.000 -3.844 -7.991) 8.867 8.659 ( 0.000 1.507 4.135) 4.401 8.706 ( -0.000 -2.521 3.047) 3.955 8.855 ( -0.000 9.518 1.122) 9.584 9.104 ( 0.000 -12.124 -5.919) 13.492 9.166 ( -0.000 19.881 2.740) 20.069 9.355 ( 0.000 3.213 1.732) 3.650 9.547 ( 0.000 -3.566 -3.050) 4.693 9.554 ( 0.000 -4.382 2.703) 5.149 9.979 ( -0.000 -2.512 7.596) 8.000 10.050 ( -0.000 -4.342 4.242) 6.070 10.774 ( -0.000 9.399 2.346) 9.687 10.827 ( -0.000 3.175 -0.649) 3.240 10.947 ( 0.000 -7.723 -5.529) 9.499 11.070 ( -0.000 -12.856 2.257) 13.053 ======================= Grid point 356 (119/125) ======================= q-point: (-0.33 0.11 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( -2.306 0.000 -4.427) 4.991 2.344 ( -12.581 -0.000 8.535) 15.203 2.986 ( -4.736 -0.000 5.010) 6.894 2.990 ( -6.034 -0.000 3.495) 6.973 3.440 ( -3.565 -0.000 1.835) 4.010 3.522 ( -8.073 -0.000 7.340) 10.911 3.726 ( 3.975 0.000 -2.659) 4.783 3.741 ( 17.483 0.000 -1.441) 17.542 3.828 ( -2.166 -0.000 0.778) 2.301 3.876 ( 14.037 -0.000 5.995) 15.263 4.221 ( -2.504 0.000 -1.939) 3.167 4.275 ( -14.024 -0.000 -0.320) 14.028 4.526 ( -5.397 0.000 -6.102) 8.146 4.580 ( -3.169 0.000 -13.145) 13.521 4.810 ( 5.893 -0.000 4.933) 7.685 4.946 ( -1.242 0.000 -7.216) 7.322 5.123 ( -2.471 0.000 -4.802) 5.400 5.148 ( -2.412 -0.000 6.729) 7.148 5.253 ( 1.409 0.000 -2.909) 3.232 5.270 ( 1.718 -0.000 2.114) 2.724 5.512 ( -0.364 -0.000 4.270) 4.285 5.548 ( -3.763 -0.000 2.173) 4.345 6.545 ( 1.341 0.000 0.126) 1.347 6.562 ( 0.568 -0.000 0.850) 1.023 6.639 ( -0.447 0.000 -2.105) 2.152 6.657 ( -1.242 0.000 -0.890) 1.528 6.810 ( 2.243 -0.000 1.210) 2.548 6.853 ( 0.502 -0.000 5.346) 5.369 6.972 ( -3.046 -0.000 1.711) 3.494 7.027 ( -8.182 -0.000 4.062) 9.135 7.289 ( 3.639 0.000 -2.007) 4.155 7.358 ( 3.890 -0.000 2.866) 4.832 7.392 ( -1.801 -0.000 0.018) 1.801 7.448 ( -0.980 -0.000 2.884) 3.046 7.528 ( 5.775 0.000 -4.581) 7.372 7.669 ( -3.067 -0.000 2.936) 4.246 7.764 ( -3.287 -0.000 1.170) 3.489 7.783 ( -3.485 -0.000 2.553) 4.320 7.959 ( -2.153 0.000 -0.951) 2.354 7.976 ( -2.422 0.000 -1.446) 2.821 8.192 ( -0.843 0.000 -1.775) 1.965 8.260 ( -3.454 -0.000 2.240) 4.117 8.377 ( 2.311 0.000 -2.386) 3.322 8.465 ( -5.648 0.000 -5.138) 7.636 8.496 ( 3.408 0.000 -1.855) 3.880 8.554 ( -1.501 0.000 -4.560) 4.801 8.671 ( -0.458 0.000 -0.826) 0.944 8.727 ( -2.073 -0.000 2.237) 3.050 8.875 ( 5.930 0.000 -0.624) 5.962 8.992 ( 3.595 -0.000 4.890) 6.069 9.113 ( 10.760 0.000 -6.689) 12.670 9.369 ( 3.494 -0.000 9.493) 10.116 9.595 ( -5.393 0.000 -2.370) 5.891 9.686 ( -15.028 -0.000 -1.260) 15.081 10.055 ( -3.930 -0.000 6.162) 7.309 10.078 ( -4.887 -0.000 9.278) 10.487 10.782 ( 6.448 0.000 -1.847) 6.708 10.824 ( 4.681 0.000 -1.798) 5.014 10.860 ( 6.834 0.000 -1.053) 6.915 10.931 ( 2.469 -0.000 0.918) 2.634 ======================= Grid point 366 (120/125) ======================= q-point: ( 0.67 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( -0.000 4.047 3.094) 5.094 2.280 ( -0.000 -11.056 0.575) 11.071 2.776 ( -0.000 19.482 9.027) 21.472 3.134 ( -0.000 -12.517 -0.067) 12.517 3.421 ( -0.000 3.674 7.217) 8.098 3.540 ( -0.000 -5.148 9.939) 11.193 3.723 ( -0.000 0.118 0.991) 0.998 3.816 ( 0.000 12.420 -3.811) 12.991 3.845 ( 0.000 -5.041 -5.033) 7.123 4.054 ( 0.000 5.198 4.819) 7.088 4.138 ( -0.000 -0.435 5.005) 5.024 4.274 ( -0.000 -22.185 -4.686) 22.674 4.401 ( -0.000 -0.404 -4.913) 4.930 4.606 ( -0.000 -14.083 -9.063) 16.747 4.881 ( 0.000 -0.601 -8.830) 8.850 4.884 ( 0.000 0.023 -10.538) 10.538 5.101 ( -0.000 2.924 7.466) 8.018 5.123 ( 0.000 0.570 4.918) 4.951 5.242 ( 0.000 3.441 -0.174) 3.446 5.291 ( -0.000 0.268 0.217) 0.345 5.494 ( -0.000 1.762 4.143) 4.502 5.580 ( -0.000 -5.148 0.814) 5.212 6.511 ( -0.000 7.269 0.457) 7.283 6.548 ( -0.000 4.214 -1.075) 4.349 6.619 ( -0.000 0.685 -0.063) 0.688 6.662 ( -0.000 -2.609 -1.850) 3.199 6.870 ( -0.000 -0.699 2.298) 2.401 6.874 ( -0.000 -1.329 3.022) 3.301 6.915 ( -0.000 4.600 5.241) 6.973 7.007 ( -0.000 -2.751 3.799) 4.690 7.332 ( -0.000 1.692 -1.440) 2.222 7.342 ( -0.000 0.514 -0.531) 0.739 7.450 ( -0.000 -3.010 2.671) 4.024 7.454 ( -0.000 -3.947 1.710) 4.302 7.570 ( -0.000 0.929 -2.480) 2.649 7.623 ( -0.000 -3.095 -3.411) 4.606 7.723 ( -0.000 2.823 2.312) 3.649 7.792 ( -0.000 -3.304 3.908) 5.118 7.932 ( -0.000 2.418 -2.403) 3.409 7.954 ( -0.000 1.203 1.849) 2.206 8.169 ( -0.000 3.783 2.140) 4.346 8.252 ( -0.000 -3.128 -1.059) 3.303 8.324 ( -0.000 4.078 -8.244) 9.198 8.417 ( -0.000 -3.457 -4.271) 5.495 8.523 ( -0.000 -0.910 -1.472) 1.731 8.559 ( -0.000 -3.316 2.292) 4.030 8.686 ( -0.000 1.018 1.050) 1.463 8.722 ( -0.000 -2.023 0.348) 2.053 8.864 ( -0.000 6.081 0.379) 6.093 9.026 ( -0.000 -8.917 -8.806) 12.533 9.205 ( -0.000 18.854 4.903) 19.481 9.379 ( -0.000 4.773 2.606) 5.438 9.529 ( -0.000 -0.465 0.027) 0.465 9.583 ( -0.000 -6.546 2.774) 7.109 10.068 ( -0.000 -2.454 9.083) 9.409 10.105 ( -0.000 -0.729 6.145) 6.188 10.807 ( -0.000 9.733 2.822) 10.134 10.820 ( 0.000 -2.697 0.536) 2.750 10.887 ( 0.000 -5.325 -6.004) 8.025 11.082 ( 0.000 -13.754 -0.228) 13.756 ======================= Grid point 367 (121/125) ======================= q-point: (-0.22 0.22 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( -0.083 0.000 -3.364) 3.365 2.427 ( -17.343 -0.000 7.388) 18.851 3.026 ( -3.979 -0.000 3.456) 5.271 3.047 ( -4.328 -0.000 6.251) 7.603 3.468 ( 3.324 -0.000 3.322) 4.699 3.580 ( -0.079 -0.000 2.081) 2.083 3.733 ( -3.351 -0.000 6.005) 6.877 3.734 ( 12.048 0.000 0.301) 12.051 3.829 ( -1.614 0.000 -0.624) 1.731 3.946 ( 12.539 -0.000 7.782) 14.757 4.212 ( -0.293 -0.000 0.516) 0.594 4.258 ( -15.140 0.000 -3.227) 15.480 4.441 ( 0.195 0.000 -13.308) 13.310 4.463 ( -6.162 0.000 -6.523) 8.974 4.830 ( -0.135 0.000 -2.663) 2.667 4.842 ( -2.143 0.000 -10.929) 11.137 5.091 ( 0.859 -0.000 0.275) 0.902 5.214 ( 0.459 -0.000 4.426) 4.450 5.229 ( 3.747 0.000 -1.777) 4.147 5.313 ( -2.767 -0.000 6.251) 6.836 5.556 ( -1.292 -0.000 3.904) 4.112 5.557 ( -2.675 -0.000 -0.310) 2.693 6.548 ( 1.102 -0.000 0.298) 1.142 6.569 ( 0.105 -0.000 0.514) 0.524 6.616 ( 0.270 0.000 -2.385) 2.400 6.646 ( -1.165 0.000 -1.131) 1.624 6.820 ( 2.870 -0.000 0.683) 2.950 6.912 ( -0.227 -0.000 5.410) 5.415 7.007 ( -1.655 -0.000 5.201) 5.458 7.078 ( -9.835 -0.000 6.027) 11.535 7.269 ( 3.967 0.000 -1.759) 4.339 7.387 ( 3.486 -0.000 2.684) 4.400 7.398 ( -2.467 -0.000 0.923) 2.634 7.468 ( 1.614 0.000 -1.977) 2.552 7.484 ( 3.285 0.000 -1.217) 3.503 7.682 ( -7.220 -0.000 -0.154) 7.221 7.784 ( -2.028 -0.000 2.768) 3.431 7.817 ( -3.366 -0.000 3.957) 5.195 7.951 ( -0.647 0.000 -3.382) 3.444 7.954 ( -0.816 0.000 -0.185) 0.837 8.173 ( 0.140 0.000 -2.403) 2.407 8.280 ( -3.171 -0.000 1.489) 3.503 8.342 ( -2.437 0.000 -12.920) 13.148 8.357 ( -1.709 0.000 -1.327) 2.164 8.514 ( 2.576 0.000 -3.370) 4.241 8.548 ( 0.230 -0.000 6.917) 6.921 8.659 ( -0.843 0.000 -0.979) 1.292 8.738 ( -0.462 -0.000 0.221) 0.512 8.873 ( 2.544 0.000 0.025) 2.544 8.964 ( -3.290 0.000 -8.980) 9.564 9.121 ( 16.290 -0.000 6.747) 17.632 9.465 ( 2.218 -0.000 8.876) 9.149 9.586 ( -3.180 -0.000 0.055) 3.180 9.668 ( -13.622 -0.000 -1.882) 13.752 10.120 ( -1.555 -0.000 6.284) 6.474 10.173 ( -4.903 -0.000 8.566) 9.870 10.771 ( 5.046 0.000 -0.160) 5.049 10.798 ( 3.318 0.000 -2.627) 4.232 10.852 ( 8.261 0.000 -0.750) 8.295 10.929 ( 2.185 0.000 -1.254) 2.519 ======================= Grid point 377 (122/125) ======================= q-point: ( 0.78 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( -0.000 1.071 3.575) 3.732 2.273 ( -0.000 -9.917 -1.875) 10.093 2.883 ( -0.000 16.241 11.282) 19.775 3.122 ( -0.000 -5.151 -2.683) 5.808 3.506 ( -0.000 5.862 9.346) 11.032 3.632 ( -0.000 -1.003 6.706) 6.781 3.753 ( -0.000 6.378 -0.608) 6.407 3.785 ( -0.000 -1.595 4.137) 4.434 3.790 ( -0.000 -3.487 -5.608) 6.604 4.096 ( -0.000 -0.766 1.350) 1.553 4.193 ( -0.000 -1.016 5.640) 5.730 4.210 ( -0.000 -8.861 -4.948) 10.149 4.387 ( -0.000 -11.590 1.206) 11.652 4.523 ( -0.000 -15.725 -7.324) 17.347 4.749 ( -0.000 2.355 -13.912) 14.110 4.756 ( -0.000 0.412 -13.391) 13.397 5.180 ( 0.000 2.187 4.977) 5.436 5.195 ( 0.000 1.443 9.109) 9.223 5.240 ( -0.000 3.546 -0.279) 3.557 5.299 ( -0.000 -0.682 1.105) 1.298 5.527 ( -0.000 0.824 2.473) 2.607 5.581 ( -0.000 -3.414 -0.749) 3.495 6.515 ( -0.000 7.041 0.379) 7.051 6.537 ( -0.000 5.377 -1.159) 5.500 6.619 ( -0.000 -0.522 0.065) 0.526 6.643 ( -0.000 -2.273 -1.686) 2.830 6.887 ( -0.000 0.068 1.214) 1.215 6.897 ( -0.000 -1.262 1.371) 1.864 6.986 ( -0.000 4.024 7.905) 8.871 7.053 ( 0.000 -1.088 4.822) 4.944 7.321 ( -0.000 1.818 -0.621) 1.921 7.337 ( -0.000 0.419 -0.583) 0.718 7.468 ( -0.000 -3.087 0.925) 3.222 7.475 ( -0.000 -3.241 1.983) 3.800 7.540 ( -0.000 0.346 -3.060) 3.080 7.581 ( -0.000 -2.181 -4.467) 4.972 7.755 ( -0.000 3.247 3.963) 5.123 7.839 ( -0.000 -3.802 5.161) 6.410 7.901 ( -0.000 3.976 -3.768) 5.478 7.965 ( -0.000 -1.271 -0.047) 1.271 8.192 ( 0.000 2.171 1.764) 2.798 8.235 ( -0.000 -1.530 -2.374) 2.825 8.248 ( 0.000 2.677 -5.247) 5.890 8.346 ( -0.000 -5.407 -7.604) 9.330 8.548 ( 0.000 0.600 4.693) 4.731 8.594 ( 0.000 -3.355 4.368) 5.508 8.682 ( -0.000 0.345 -1.695) 1.730 8.716 ( 0.000 -2.256 -1.623) 2.779 8.860 ( -0.000 1.892 -0.954) 2.119 8.938 ( -0.000 -5.991 -7.780) 9.820 9.264 ( -0.000 17.222 6.515) 18.413 9.396 ( 0.000 7.646 0.364) 7.655 9.548 ( -0.000 1.301 3.357) 3.601 9.605 ( 0.000 -5.974 1.344) 6.124 10.152 ( -0.000 -1.551 6.865) 7.038 10.165 ( -0.000 1.551 5.243) 5.467 10.799 ( 0.000 5.955 -1.594) 6.164 10.831 ( -0.000 -2.299 -4.733) 5.262 10.871 ( -0.000 -6.001 6.656) 8.961 11.063 ( 0.000 -14.076 -3.442) 14.491 ======================= Grid point 378 (123/125) ======================= q-point: (-0.11 0.33 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( 1.291 0.000 -1.901) 2.298 2.487 ( -21.681 -0.000 4.173) 22.079 3.057 ( -1.288 -0.000 2.384) 2.709 3.101 ( -4.313 -0.000 3.989) 5.875 3.500 ( 11.777 -0.000 2.588) 12.058 3.571 ( 6.082 0.000 -2.061) 6.422 3.748 ( 3.835 -0.000 2.263) 4.453 3.816 ( -0.296 0.000 -1.812) 1.836 3.832 ( -6.443 -0.000 10.820) 12.593 4.029 ( 5.038 -0.000 7.854) 9.331 4.212 ( -12.081 0.000 -4.815) 13.005 4.236 ( 0.588 -0.000 4.304) 4.344 4.317 ( 4.540 0.000 -11.063) 11.958 4.387 ( -3.672 0.000 -8.358) 9.129 4.750 ( -5.733 0.000 -6.440) 8.622 4.775 ( -8.055 0.000 -5.994) 10.041 5.122 ( 5.811 -0.000 4.345) 7.256 5.212 ( 4.881 0.000 -1.720) 5.175 5.240 ( 2.373 -0.000 1.304) 2.707 5.378 ( -5.450 -0.000 5.600) 7.814 5.546 ( -1.256 0.000 -1.573) 2.013 5.586 ( -2.485 -0.000 2.064) 3.230 6.551 ( 0.747 -0.000 0.299) 0.804 6.573 ( -0.212 -0.000 0.238) 0.318 6.594 ( 1.001 0.000 -1.679) 1.954 6.636 ( -1.104 0.000 -0.754) 1.337 6.824 ( 3.282 0.000 0.094) 3.284 6.953 ( -1.333 -0.000 2.543) 2.872 7.067 ( -0.829 -0.000 5.681) 5.742 7.144 ( -10.713 -0.000 6.152) 12.354 7.257 ( 4.255 0.000 -0.543) 4.289 7.406 ( -3.767 -0.000 1.055) 3.912 7.412 ( 3.388 -0.000 1.546) 3.724 7.414 ( 5.858 0.000 -5.729) 8.194 7.497 ( -0.761 -0.000 1.278) 1.487 7.673 ( -9.599 -0.000 -1.162) 9.669 7.818 ( -0.426 -0.000 3.763) 3.787 7.861 ( -3.191 -0.000 4.646) 5.637 7.910 ( 0.358 0.000 -4.311) 4.326 7.950 ( -1.415 0.000 -0.974) 1.717 8.129 ( 1.520 0.000 -6.532) 6.706 8.243 ( 0.345 0.000 -5.239) 5.250 8.290 ( -2.681 -0.000 0.544) 2.735 8.352 ( -7.559 -0.000 0.062) 7.559 8.484 ( 8.304 0.000 -2.385) 8.640 8.624 ( -1.940 -0.000 7.617) 7.860 8.655 ( -2.633 -0.000 0.010) 2.633 8.736 ( 0.146 0.000 -0.542) 0.561 8.866 ( -0.214 0.000 -9.087) 9.090 8.873 ( 0.308 0.000 -0.084) 0.319 9.189 ( 13.619 -0.000 5.476) 14.679 9.543 ( 0.541 -0.000 6.186) 6.209 9.588 ( -2.072 -0.000 0.267) 2.089 9.650 ( -10.905 -0.000 -1.745) 11.043 10.175 ( 0.336 -0.000 4.144) 4.158 10.242 ( -4.377 -0.000 4.675) 6.405 10.776 ( 3.831 0.000 -1.694) 4.189 10.779 ( 3.448 -0.000 1.558) 3.784 10.844 ( 7.665 0.000 -0.804) 7.707 10.909 ( 2.082 0.000 -2.458) 3.221 ======================= Grid point 380 (124/125) ======================= q-point: ( 0.00 0.44 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( 1.751 -0.000 0.000) 1.751 2.508 ( -23.480 0.000 -0.000) 23.480 3.070 ( -0.060 0.000 -0.000) 0.060 3.122 ( -4.346 0.000 -0.000) 4.346 3.514 ( 15.866 -0.000 0.000) 15.866 3.559 ( 7.167 -0.000 0.000) 7.167 3.767 ( -2.915 0.000 -0.000) 2.915 3.801 ( 2.824 -0.000 0.000) 2.824 3.901 ( -3.073 0.000 -0.000) 3.073 4.073 ( -13.385 0.000 -0.000) 13.385 4.203 ( 1.153 -0.000 0.000) 1.153 4.230 ( 7.023 -0.000 0.000) 7.023 4.293 ( 3.801 -0.000 0.000) 3.801 4.308 ( -4.821 0.000 -0.000) 4.821 4.717 ( -7.788 0.000 -0.000) 7.788 4.740 ( -10.793 0.000 -0.000) 10.793 5.151 ( 7.114 -0.000 0.000) 7.114 5.199 ( 5.038 -0.000 0.000) 5.038 5.246 ( 2.619 -0.000 0.000) 2.619 5.410 ( -6.372 0.000 -0.000) 6.372 5.535 ( -0.241 0.000 -0.000) 0.241 5.597 ( -2.991 0.000 -0.000) 2.991 6.553 ( 0.477 -0.000 0.000) 0.477 6.574 ( -0.327 0.000 -0.000) 0.327 6.585 ( 1.422 -0.000 0.000) 1.422 6.632 ( -1.082 0.000 -0.000) 1.082 6.824 ( 3.431 -0.000 0.000) 3.431 6.965 ( -1.876 0.000 -0.000) 1.876 7.101 ( -0.689 0.000 -0.000) 0.689 7.180 ( -10.905 0.000 -0.000) 10.905 7.256 ( 4.246 -0.000 0.000) 4.246 7.378 ( 6.327 -0.000 0.000) 6.327 7.412 ( -4.810 0.000 -0.000) 4.810 7.420 ( 3.520 -0.000 0.000) 3.520 7.504 ( -0.838 0.000 -0.000) 0.838 7.666 ( -10.455 0.000 -0.000) 10.455 7.850 ( 1.842 -0.000 0.000) 1.842 7.875 ( -0.965 0.000 -0.000) 0.965 7.899 ( -0.993 0.000 -0.000) 0.993 7.933 ( -5.108 0.000 -0.000) 5.108 8.084 ( 4.068 -0.000 0.000) 4.068 8.222 ( 1.071 -0.000 0.000) 1.071 8.292 ( -2.690 0.000 -0.000) 2.690 8.353 ( -10.566 0.000 -0.000) 10.566 8.471 ( 11.322 -0.000 0.000) 11.322 8.656 ( -3.337 0.000 -0.000) 3.337 8.678 ( -4.017 0.000 -0.000) 4.017 8.729 ( -0.726 0.000 -0.000) 0.726 8.808 ( 3.003 -0.000 0.000) 3.003 8.872 ( -0.509 0.000 -0.000) 0.509 9.219 ( 12.981 -0.000 0.000) 12.981 9.579 ( -0.343 0.000 -0.000) 0.343 9.590 ( -1.738 0.000 -0.000) 1.738 9.637 ( -9.486 0.000 -0.000) 9.486 10.198 ( 1.028 -0.000 0.000) 1.028 10.266 ( -3.999 0.000 -0.000) 3.999 10.767 ( 4.269 -0.000 0.000) 4.269 10.791 ( 2.547 -0.000 0.000) 2.547 10.839 ( 7.183 -0.000 0.000) 7.183 10.892 ( 2.208 -0.000 0.000) 2.208 ======================= Grid point 391 (125/125) ======================= q-point: ( 0.89 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( 0.000 -2.703 3.642) 4.536 2.246 ( 0.000 -6.641 -3.238) 7.388 2.993 ( 0.000 10.289 9.833) 14.232 3.076 ( 0.000 2.919 -6.393) 7.028 3.604 ( 0.000 8.532 9.458) 12.738 3.684 ( 0.000 -1.119 4.528) 4.664 3.693 ( 0.000 11.826 -7.758) 14.143 3.734 ( 0.000 -1.855 -5.352) 5.664 3.902 ( 0.000 -11.299 13.704) 17.762 4.034 ( 0.000 -10.874 -11.417) 15.767 4.223 ( 0.000 0.752 4.402) 4.466 4.239 ( 0.000 -0.754 2.154) 2.283 4.413 ( 0.000 -15.543 3.526) 15.938 4.458 ( 0.000 -16.421 -5.389) 17.283 4.635 ( 0.000 3.548 -6.599) 7.492 4.641 ( 0.000 2.186 -7.504) 7.815 5.217 ( 0.000 3.443 2.520) 4.267 5.234 ( 0.000 3.700 -1.009) 3.835 5.270 ( 0.000 0.029 5.437) 5.437 5.303 ( 0.000 -0.905 -1.027) 1.369 5.548 ( -0.000 -0.326 1.906) 1.933 5.567 ( -0.000 -1.796 -1.721) 2.488 6.519 ( 0.000 6.732 0.518) 6.752 6.526 ( 0.000 6.208 -0.865) 6.268 6.622 ( 0.000 -1.376 0.440) 1.444 6.629 ( -0.000 -1.912 -1.065) 2.189 6.897 ( 0.000 -0.401 0.842) 0.933 6.903 ( 0.000 -1.006 -0.137) 1.015 7.059 ( 0.000 3.626 5.695) 6.751 7.086 ( -0.000 1.627 0.707) 1.774 7.322 ( 0.000 1.602 0.730) 1.760 7.330 ( -0.000 0.955 -0.746) 1.212 7.472 ( 0.000 -3.063 0.105) 3.065 7.479 ( -0.000 -3.665 -1.161) 3.845 7.524 ( 0.000 -0.293 0.539) 0.613 7.542 ( 0.000 -1.440 -2.773) 3.124 7.802 ( 0.000 3.891 5.117) 6.428 7.855 ( -0.000 4.422 -5.058) 6.719 7.895 ( 0.000 -3.984 5.597) 6.870 7.946 ( -0.000 -3.318 -3.817) 5.058 8.191 ( 0.000 0.847 -0.289) 0.895 8.206 ( 0.000 -0.391 -2.835) 2.862 8.243 ( -0.000 0.024 2.803) 2.803 8.282 ( -0.000 -3.249 -4.879) 5.862 8.601 ( 0.000 0.499 5.206) 5.230 8.638 ( 0.000 -0.935 1.924) 2.139 8.657 ( 0.000 -2.314 -1.081) 2.554 8.689 ( 0.000 -3.173 -3.478) 4.707 8.854 ( 0.000 -1.029 0.345) 1.085 8.876 ( 0.000 -3.382 -4.183) 5.380 9.331 ( 0.000 14.689 6.183) 15.937 9.381 ( 0.000 11.303 -3.381) 11.798 9.585 ( 0.000 0.004 3.283) 3.283 9.608 ( 0.000 -3.187 -1.017) 3.345 10.201 ( 0.000 0.011 2.637) 2.637 10.204 ( 0.000 1.499 2.000) 2.500 10.787 ( -0.000 3.790 -0.462) 3.818 10.795 ( 0.000 0.947 -2.167) 2.365 10.943 ( 0.000 -10.578 7.328) 12.869 11.013 ( -0.000 -13.238 -6.129) 14.588 =================== 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 3/43740 10.0 2725.161 2998.009 11884.351 -0.000 0.000 0.000 3/43740 20.0 1305.713 1261.789 1746.701 -0.000 0.000 0.000 3/43740 30.0 451.010 431.756 521.542 -0.000 0.000 0.000 3/43740 40.0 201.716 191.705 230.219 -0.000 0.000 0.000 3/43740 50.0 108.805 102.926 124.978 -0.000 0.000 0.000 3/43740 60.0 66.878 63.259 77.352 -0.000 0.000 0.000 3/43740 70.0 45.322 42.989 52.666 -0.000 0.000 0.000 3/43740 80.0 33.080 31.498 38.536 -0.000 0.000 0.000 3/43740 90.0 25.551 24.425 29.790 -0.000 0.000 0.000 3/43740 100.0 20.611 19.772 24.023 -0.000 0.000 0.000 3/43740 110.0 17.192 16.540 20.016 -0.000 0.000 0.000 3/43740 120.0 14.718 14.194 17.110 -0.000 0.000 0.000 3/43740 130.0 12.863 12.428 14.926 -0.000 0.000 0.000 3/43740 140.0 11.426 11.056 13.234 -0.000 0.000 0.000 3/43740 150.0 10.285 9.962 11.890 -0.000 0.000 0.000 3/43740 160.0 9.358 9.072 10.799 -0.000 0.000 0.000 3/43740 170.0 8.591 8.334 9.896 -0.000 0.000 0.000 3/43740 180.0 7.946 7.712 9.138 -0.000 0.000 0.000 3/43740 190.0 7.396 7.180 8.492 -0.000 0.000 0.000 3/43740 200.0 6.921 6.721 7.935 -0.000 0.000 0.000 3/43740 210.0 6.507 6.319 7.450 -0.000 0.000 0.000 3/43740 220.0 6.142 5.966 7.024 -0.000 0.000 0.000 3/43740 230.0 5.818 5.652 6.646 -0.000 0.000 0.000 3/43740 240.0 5.528 5.371 6.308 -0.000 0.000 0.000 3/43740 250.0 5.268 5.117 6.005 -0.000 0.000 0.000 3/43740 260.0 5.032 4.888 5.731 -0.000 0.000 0.000 3/43740 270.0 4.817 4.680 5.482 -0.000 0.000 0.000 3/43740 280.0 4.621 4.489 5.255 -0.000 0.000 0.000 3/43740 290.0 4.441 4.314 5.047 -0.000 0.000 0.000 3/43740 300.0 4.275 4.153 4.855 -0.000 0.000 0.000 3/43740 310.0 4.121 4.003 4.678 -0.000 0.000 0.000 3/43740 320.0 3.979 3.865 4.513 -0.000 0.000 0.000 3/43740 330.0 3.846 3.736 4.361 -0.000 0.000 0.000 3/43740 340.0 3.723 3.616 4.219 -0.000 0.000 0.000 3/43740 350.0 3.607 3.503 4.086 -0.000 0.000 0.000 3/43740 360.0 3.498 3.398 3.961 -0.000 0.000 0.000 3/43740 370.0 3.397 3.299 3.845 -0.000 0.000 0.000 3/43740 380.0 3.301 3.205 3.735 -0.000 0.000 0.000 3/43740 390.0 3.210 3.117 3.631 -0.000 0.000 0.000 3/43740 400.0 3.125 3.034 3.533 -0.000 0.000 0.000 3/43740 410.0 3.044 2.956 3.441 -0.000 0.000 0.000 3/43740 420.0 2.967 2.881 3.353 -0.000 0.000 0.000 3/43740 430.0 2.894 2.810 3.270 -0.000 0.000 0.000 3/43740 440.0 2.825 2.743 3.191 -0.000 0.000 0.000 3/43740 450.0 2.759 2.679 3.115 -0.000 0.000 0.000 3/43740 460.0 2.696 2.618 3.044 -0.000 0.000 0.000 3/43740 470.0 2.636 2.559 2.975 -0.000 0.000 0.000 3/43740 480.0 2.578 2.503 2.910 -0.000 0.000 0.000 3/43740 490.0 2.524 2.450 2.847 -0.000 0.000 0.000 3/43740 500.0 2.471 2.399 2.788 -0.000 0.000 0.000 3/43740 510.0 2.421 2.350 2.730 -0.000 0.000 0.000 3/43740 520.0 2.372 2.303 2.676 -0.000 0.000 0.000 3/43740 530.0 2.326 2.258 2.623 -0.000 0.000 0.000 3/43740 540.0 2.282 2.215 2.572 -0.000 0.000 0.000 3/43740 550.0 2.239 2.173 2.524 -0.000 0.000 0.000 3/43740 560.0 2.197 2.133 2.477 -0.000 0.000 0.000 3/43740 570.0 2.158 2.095 2.432 -0.000 0.000 0.000 3/43740 580.0 2.119 2.057 2.388 -0.000 0.000 0.000 3/43740 590.0 2.082 2.021 2.346 -0.000 0.000 0.000 3/43740 600.0 2.047 1.987 2.306 -0.000 0.000 0.000 3/43740 610.0 2.012 1.953 2.267 -0.000 0.000 0.000 3/43740 620.0 1.979 1.921 2.229 -0.000 0.000 0.000 3/43740 630.0 1.947 1.890 2.193 -0.000 0.000 0.000 3/43740 640.0 1.916 1.859 2.157 -0.000 0.000 0.000 3/43740 650.0 1.886 1.830 2.123 -0.000 0.000 0.000 3/43740 660.0 1.856 1.802 2.090 -0.000 0.000 0.000 3/43740 670.0 1.828 1.774 2.058 -0.000 0.000 0.000 3/43740 680.0 1.801 1.748 2.027 -0.000 0.000 0.000 3/43740 690.0 1.774 1.722 1.997 -0.000 0.000 0.000 3/43740 700.0 1.748 1.697 1.968 -0.000 0.000 0.000 3/43740 710.0 1.723 1.672 1.939 -0.000 0.000 0.000 3/43740 720.0 1.699 1.649 1.912 -0.000 0.000 0.000 3/43740 730.0 1.675 1.626 1.885 -0.000 0.000 0.000 3/43740 740.0 1.652 1.603 1.859 -0.000 0.000 0.000 3/43740 750.0 1.630 1.581 1.834 -0.000 0.000 0.000 3/43740 760.0 1.608 1.560 1.809 -0.000 0.000 0.000 3/43740 770.0 1.587 1.540 1.785 -0.000 0.000 0.000 3/43740 780.0 1.566 1.520 1.762 -0.000 0.000 0.000 3/43740 790.0 1.546 1.500 1.739 -0.000 0.000 0.000 3/43740 800.0 1.526 1.481 1.717 -0.000 0.000 0.000 3/43740 810.0 1.507 1.463 1.695 -0.000 0.000 0.000 3/43740 820.0 1.488 1.444 1.674 -0.000 0.000 0.000 3/43740 830.0 1.470 1.427 1.654 -0.000 0.000 0.000 3/43740 840.0 1.453 1.410 1.634 -0.000 0.000 0.000 3/43740 850.0 1.435 1.393 1.614 -0.000 0.000 0.000 3/43740 860.0 1.418 1.376 1.595 -0.000 0.000 0.000 3/43740 870.0 1.402 1.360 1.577 -0.000 0.000 0.000 3/43740 880.0 1.386 1.345 1.558 -0.000 0.000 0.000 3/43740 890.0 1.370 1.329 1.541 -0.000 0.000 0.000 3/43740 900.0 1.355 1.314 1.523 -0.000 0.000 0.000 3/43740 910.0 1.339 1.300 1.506 -0.000 0.000 0.000 3/43740 920.0 1.325 1.286 1.490 -0.000 0.000 0.000 3/43740 930.0 1.310 1.272 1.473 -0.000 0.000 0.000 3/43740 940.0 1.296 1.258 1.458 -0.000 0.000 0.000 3/43740 950.0 1.283 1.245 1.442 -0.000 0.000 0.000 3/43740 960.0 1.269 1.231 1.427 -0.000 0.000 0.000 3/43740 970.0 1.256 1.219 1.412 -0.000 0.000 0.000 3/43740 980.0 1.243 1.206 1.397 -0.000 0.000 0.000 3/43740 990.0 1.230 1.194 1.383 -0.000 0.000 0.000 3/43740 1000.0 1.218 1.182 1.369 -0.000 0.000 0.000 3/43740 Thermal conductivity related properties were written into "kappa-m999.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 18:35:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|