----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:30:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.800713615276129 -6.842199265000001 0.000000000000000 b 4.800713615276129 6.842199265000001 0.000000000000000 c -3.958549807555454 0.000000000000000 7.843248357832663 Atomic positions (fractional): *1 Si 0.89176146269073 0.89176146269073 0.86088408387914 28.085 2 Si 0.10823853730927 0.10823853730927 0.13911591612086 28.085 *3 K 0.79469052661010 0.79469052661010 0.32635289747289 39.098 *4 K 0.50000000000000 0.00000000000000 0.00000000000000 39.098 *5 K 0.65699866438598 0.34300133561402 0.50000000000000 39.098 6 K 0.34300133561402 0.65699866438598 0.50000000000000 39.098 7 K 0.00000000000000 0.50000000000000 0.00000000000000 39.098 8 K 0.20530947338990 0.20530947338990 0.67364710252711 39.098 *9 Te 0.36268122689881 0.36268122689881 0.11801019662128 127.600 10 Te 0.63731877310119 0.63731877310119 0.88198980337872 127.600 *11 Te 0.94801478285844 0.24938144151369 0.29909564289829 127.600 12 Te 0.75061855848631 0.05198521714156 0.70090435710171 127.600 13 Te 0.05198521714156 0.75061855848631 0.70090435710171 127.600 14 Te 0.24938144151369 0.94801478285844 0.29909564289829 127.600 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.601427230552257 0.000000000000000 0.000000000000000 b 0.000000000000000 13.684398530000003 0.000000000000000 c -3.958549807555454 0.000000000000000 7.843248357832663 Atomic positions (fractional): *1 Si 0.89176146269073 0.00000000000000 0.86088408387914 28.085 > 1 2 Si 0.10823853730927 0.00000000000000 0.13911591612086 28.085 > 2 3 Si 0.39176146269073 0.50000000000000 0.86088408387914 28.085 > 1 4 Si 0.60823853730927 0.50000000000000 0.13911591612086 28.085 > 2 *5 K 0.79469052661010 0.00000000000000 0.32635289747289 39.098 > 3 *6 K 0.75000000000000 0.25000000000000 0.00000000000000 39.098 > 4 *7 K 0.50000000000000 0.84300133561402 0.50000000000000 39.098 > 5 8 K 0.50000000000000 0.15699866438598 0.50000000000000 39.098 > 6 9 K 0.75000000000000 0.75000000000000 0.00000000000000 39.098 > 7 10 K 0.20530947338990 0.00000000000000 0.67364710252711 39.098 > 8 11 K 0.29469052661010 0.50000000000000 0.32635289747289 39.098 > 3 12 K 0.25000000000000 0.75000000000000 0.00000000000000 39.098 > 4 13 K 0.00000000000000 0.34300133561402 0.50000000000000 39.098 > 5 14 K 0.00000000000000 0.65699866438598 0.50000000000000 39.098 > 6 15 K 0.25000000000000 0.25000000000000 0.00000000000000 39.098 > 7 16 K 0.70530947338990 0.50000000000000 0.67364710252711 39.098 > 8 *17 Te 0.36268122689881 0.00000000000000 0.11801019662128 127.600 > 9 18 Te 0.63731877310119 0.00000000000000 0.88198980337872 127.600 > 10 *19 Te 0.59869811218606 0.65068332932762 0.29909564289829 127.600 > 11 20 Te 0.40130188781393 0.65068332932762 0.70090435710171 127.600 > 12 21 Te 0.40130188781393 0.34931667067237 0.70090435710171 127.600 > 13 22 Te 0.59869811218606 0.34931667067237 0.29909564289829 127.600 > 14 23 Te 0.86268122689881 0.50000000000000 0.11801019662128 127.600 > 9 24 Te 0.13731877310119 0.50000000000000 0.88198980337872 127.600 > 10 25 Te 0.09869811218607 0.15068332932762 0.29909564289829 127.600 > 11 26 Te 0.90130188781394 0.15068332932762 0.70090435710171 127.600 > 12 27 Te 0.90130188781394 0.84931667067238 0.70090435710171 127.600 > 13 28 Te 0.09869811218607 0.84931667067238 0.29909564289829 127.600 > 14 -------------------------------- super cell -------------------------------- Lattice vectors: a 19.202854461104515 0.000000000000000 0.000000000000000 b 0.000000000000000 13.684398530000003 0.000000000000000 c -7.917099615110908 0.000000000000000 15.686496715665326 Atomic positions (fractional): *1 Si 0.44588073134537 0.00000000000000 0.43044204193957 28.085 > 1 2 Si 0.94588073134537 0.00000000000000 0.43044204193957 28.085 > 1 3 Si 0.44588073134537 0.00000000000000 0.93044204193957 28.085 > 1 4 Si 0.94588073134537 0.00000000000000 0.93044204193957 28.085 > 1 5 Si 0.05411926865463 0.00000000000000 0.06955795806043 28.085 > 2 6 Si 0.55411926865463 0.00000000000000 0.06955795806043 28.085 > 2 7 Si 0.05411926865463 0.00000000000000 0.56955795806043 28.085 > 2 8 Si 0.55411926865463 0.00000000000000 0.56955795806043 28.085 > 2 9 Si 0.19588073134537 0.50000000000000 0.43044204193957 28.085 > 1 10 Si 0.69588073134537 0.50000000000000 0.43044204193957 28.085 > 1 11 Si 0.19588073134537 0.50000000000000 0.93044204193957 28.085 > 1 12 Si 0.69588073134537 0.50000000000000 0.93044204193957 28.085 > 1 13 Si 0.30411926865463 0.50000000000000 0.06955795806043 28.085 > 2 14 Si 0.80411926865463 0.50000000000000 0.06955795806043 28.085 > 2 15 Si 0.30411926865463 0.50000000000000 0.56955795806043 28.085 > 2 16 Si 0.80411926865463 0.50000000000000 0.56955795806043 28.085 > 2 *17 K 0.39734526330505 0.00000000000000 0.16317644873645 39.098 > 3 18 K 0.89734526330505 0.00000000000000 0.16317644873645 39.098 > 3 19 K 0.39734526330505 0.00000000000000 0.66317644873645 39.098 > 3 20 K 0.89734526330505 0.00000000000000 0.66317644873645 39.098 > 3 *21 K 0.37500000000000 0.25000000000000 0.00000000000000 39.098 > 4 22 K 0.87500000000000 0.25000000000000 0.00000000000000 39.098 > 4 23 K 0.37500000000000 0.25000000000000 0.50000000000000 39.098 > 4 24 K 0.87500000000000 0.25000000000000 0.50000000000000 39.098 > 4 *25 K 0.25000000000000 0.84300133561402 0.25000000000000 39.098 > 5 26 K 0.75000000000000 0.84300133561402 0.25000000000000 39.098 > 5 27 K 0.25000000000000 0.84300133561402 0.75000000000000 39.098 > 5 28 K 0.75000000000000 0.84300133561402 0.75000000000000 39.098 > 5 29 K 0.25000000000000 0.15699866438598 0.25000000000000 39.098 > 6 30 K 0.75000000000000 0.15699866438598 0.25000000000000 39.098 > 6 31 K 0.25000000000000 0.15699866438598 0.75000000000000 39.098 > 6 32 K 0.75000000000000 0.15699866438598 0.75000000000000 39.098 > 6 33 K 0.37500000000000 0.75000000000000 0.00000000000000 39.098 > 7 34 K 0.87500000000000 0.75000000000000 0.00000000000000 39.098 > 7 35 K 0.37500000000000 0.75000000000000 0.50000000000000 39.098 > 7 36 K 0.87500000000000 0.75000000000000 0.50000000000000 39.098 > 7 37 K 0.10265473669495 0.00000000000000 0.33682355126355 39.098 > 8 38 K 0.60265473669495 0.00000000000000 0.33682355126355 39.098 > 8 39 K 0.10265473669495 0.00000000000000 0.83682355126355 39.098 > 8 40 K 0.60265473669495 0.00000000000000 0.83682355126355 39.098 > 8 41 K 0.14734526330505 0.50000000000000 0.16317644873645 39.098 > 3 42 K 0.64734526330505 0.50000000000000 0.16317644873645 39.098 > 3 43 K 0.14734526330505 0.50000000000000 0.66317644873645 39.098 > 3 44 K 0.64734526330505 0.50000000000000 0.66317644873645 39.098 > 3 45 K 0.12500000000000 0.75000000000000 0.00000000000000 39.098 > 4 46 K 0.62500000000000 0.75000000000000 0.00000000000000 39.098 > 4 47 K 0.12500000000000 0.75000000000000 0.50000000000000 39.098 > 4 48 K 0.62500000000000 0.75000000000000 0.50000000000000 39.098 > 4 49 K 0.00000000000000 0.34300133561402 0.25000000000000 39.098 > 5 50 K 0.50000000000000 0.34300133561402 0.25000000000000 39.098 > 5 51 K 0.00000000000000 0.34300133561402 0.75000000000000 39.098 > 5 52 K 0.50000000000000 0.34300133561402 0.75000000000000 39.098 > 5 53 K 0.00000000000000 0.65699866438598 0.25000000000000 39.098 > 6 54 K 0.50000000000000 0.65699866438598 0.25000000000000 39.098 > 6 55 K 0.00000000000000 0.65699866438598 0.75000000000000 39.098 > 6 56 K 0.50000000000000 0.65699866438598 0.75000000000000 39.098 > 6 57 K 0.12500000000000 0.25000000000000 0.00000000000000 39.098 > 7 58 K 0.62500000000000 0.25000000000000 0.00000000000000 39.098 > 7 59 K 0.12500000000000 0.25000000000000 0.50000000000000 39.098 > 7 60 K 0.62500000000000 0.25000000000000 0.50000000000000 39.098 > 7 61 K 0.35265473669495 0.50000000000000 0.33682355126355 39.098 > 8 62 K 0.85265473669495 0.50000000000000 0.33682355126355 39.098 > 8 63 K 0.35265473669495 0.50000000000000 0.83682355126355 39.098 > 8 64 K 0.85265473669495 0.50000000000000 0.83682355126355 39.098 > 8 *65 Te 0.18134061344940 0.00000000000000 0.05900509831064 127.600 > 9 66 Te 0.68134061344940 0.00000000000000 0.05900509831064 127.600 > 9 67 Te 0.18134061344940 0.00000000000000 0.55900509831064 127.600 > 9 68 Te 0.68134061344940 0.00000000000000 0.55900509831064 127.600 > 9 69 Te 0.31865938655060 0.00000000000000 0.44099490168936 127.600 > 10 70 Te 0.81865938655060 0.00000000000000 0.44099490168936 127.600 > 10 71 Te 0.31865938655060 0.00000000000000 0.94099490168936 127.600 > 10 72 Te 0.81865938655060 0.00000000000000 0.94099490168936 127.600 > 10 *73 Te 0.29934905609303 0.65068332932762 0.14954782144914 127.600 > 11 74 Te 0.79934905609303 0.65068332932762 0.14954782144914 127.600 > 11 75 Te 0.29934905609303 0.65068332932762 0.64954782144914 127.600 > 11 76 Te 0.79934905609303 0.65068332932762 0.64954782144914 127.600 > 11 77 Te 0.20065094390697 0.65068332932762 0.35045217855086 127.600 > 12 78 Te 0.70065094390697 0.65068332932762 0.35045217855086 127.600 > 12 79 Te 0.20065094390697 0.65068332932762 0.85045217855086 127.600 > 12 80 Te 0.70065094390697 0.65068332932762 0.85045217855086 127.600 > 12 81 Te 0.20065094390697 0.34931667067237 0.35045217855086 127.600 > 13 82 Te 0.70065094390697 0.34931667067237 0.35045217855086 127.600 > 13 83 Te 0.20065094390697 0.34931667067237 0.85045217855086 127.600 > 13 84 Te 0.70065094390697 0.34931667067237 0.85045217855086 127.600 > 13 85 Te 0.29934905609303 0.34931667067237 0.14954782144914 127.600 > 14 86 Te 0.79934905609303 0.34931667067237 0.14954782144914 127.600 > 14 87 Te 0.29934905609303 0.34931667067237 0.64954782144914 127.600 > 14 88 Te 0.79934905609303 0.34931667067237 0.64954782144914 127.600 > 14 89 Te 0.43134061344940 0.50000000000000 0.05900509831064 127.600 > 9 90 Te 0.93134061344940 0.50000000000000 0.05900509831064 127.600 > 9 91 Te 0.43134061344940 0.50000000000000 0.55900509831064 127.600 > 9 92 Te 0.93134061344940 0.50000000000000 0.55900509831064 127.600 > 9 93 Te 0.06865938655060 0.50000000000000 0.44099490168936 127.600 > 10 94 Te 0.56865938655060 0.50000000000000 0.44099490168936 127.600 > 10 95 Te 0.06865938655060 0.50000000000000 0.94099490168936 127.600 > 10 96 Te 0.56865938655060 0.50000000000000 0.94099490168936 127.600 > 10 97 Te 0.04934905609303 0.15068332932762 0.14954782144914 127.600 > 11 98 Te 0.54934905609303 0.15068332932762 0.14954782144914 127.600 > 11 99 Te 0.04934905609303 0.15068332932762 0.64954782144914 127.600 > 11 100 Te 0.54934905609303 0.15068332932762 0.64954782144914 127.600 > 11 101 Te 0.45065094390697 0.15068332932762 0.35045217855086 127.600 > 12 102 Te 0.95065094390697 0.15068332932762 0.35045217855086 127.600 > 12 103 Te 0.45065094390697 0.15068332932762 0.85045217855086 127.600 > 12 104 Te 0.95065094390697 0.15068332932762 0.85045217855086 127.600 > 12 105 Te 0.45065094390697 0.84931667067238 0.35045217855086 127.600 > 13 106 Te 0.95065094390697 0.84931667067238 0.35045217855086 127.600 > 13 107 Te 0.45065094390697 0.84931667067238 0.85045217855086 127.600 > 13 108 Te 0.95065094390697 0.84931667067238 0.85045217855086 127.600 > 13 109 Te 0.04934905609303 0.84931667067238 0.14954782144914 127.600 > 14 110 Te 0.54934905609303 0.84931667067238 0.14954782144914 127.600 > 14 111 Te 0.04934905609303 0.84931667067238 0.64954782144914 127.600 > 14 112 Te 0.54934905609303 0.84931667067238 0.64954782144914 127.600 > 14 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.2296776 0.0000000 -0.2034159 0.0000000 5.0298745 0.0000000 -0.2034199 0.0000000 4.9927244 -------------------------- Born effective charges -------------------------- 1 Si 1.8677765 0.0000000 -0.1588553 0.0000000 1.9695594 0.0000000 -0.3754387 0.0000000 1.3049260 2 Si 1.8677765 0.0000000 -0.1588553 0.0000000 1.9695594 0.0000000 -0.3754387 0.0000000 1.3049260 3 K 1.4195344 0.0000000 -0.1209596 0.0000000 0.8354220 0.0000000 -0.1187919 0.0000000 1.3681039 4 K 1.0552218 -0.3781996 0.0384789 -0.4557291 1.3758100 0.0172170 -0.0319009 0.1269601 0.8773823 5 K 1.0508239 0.0000000 0.1736516 0.0000000 1.3257101 0.0000000 0.0816178 0.0000000 1.3190375 6 K 1.0508239 0.0000000 0.1736516 0.0000000 1.3257101 0.0000000 0.0816178 0.0000000 1.3190375 7 K 1.0552218 0.3781996 0.0384789 0.4557291 1.3758100 -0.0172170 -0.0319009 -0.1269601 0.8773823 8 K 1.4195344 0.0000000 -0.1209596 0.0000000 0.8354220 0.0000000 -0.1187919 0.0000000 1.3681039 9 Te -2.4144141 0.0000000 -0.3538702 0.0000000 -1.3155834 0.0000000 -0.1490757 0.0000000 -1.3923180 10 Te -2.4144141 0.0000000 -0.3538702 0.0000000 -1.3155834 0.0000000 -0.1490757 0.0000000 -1.3923180 11 Te -1.4894712 0.3989989 0.2107773 0.3357096 -2.0954590 -0.5542319 0.2967947 -0.6291638 -1.7385658 12 Te -1.4894712 -0.3989989 0.2107773 -0.3357096 -2.0954590 0.5542319 0.2967947 0.6291638 -1.7385658 13 Te -1.4894712 0.3989989 0.2107773 0.3357096 -2.0954590 -0.5542319 0.2967947 -0.6291638 -1.7385658 14 Te -1.4894712 -0.3989989 0.2107773 -0.3357096 -2.0954590 0.5542319 0.2967947 0.6291638 -1.7385658 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 8592/8592 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1946 Number of blocks in projector: 1946 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: 472 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 320 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 320 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 278 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 278 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 278 Use standard eigh solver. Tree of FC basis block matrices: - (1946, 1909), data: False |-- (278, 272), data: True |-- (278, 272), data: True |-- (278, 272), data: True |-- (320, 316), data: True |-- (320, 316), data: True |-- (472, 461), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 3.200 Solver_block: 200 / 480 - Time: 3.150 Solver_block: 300 / 480 - Time: 3.145 Solver_block: 400 / 480 - Time: 3.145 Solver_block: 480 / 480 - Time: 2.543 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 15.234 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 8592/8592 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1946 Number of blocks in projector: 1946 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: 472 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 320 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 320 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 278 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 278 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 278 Use standard eigh solver. Tree of FC basis block matrices: - (1946, 1909), data: False |-- (278, 272), data: True |-- (278, 272), data: True |-- (278, 272), data: True |-- (320, 316), data: True |-- (320, 316), data: True |-- (472, 461), 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 22:30:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:30:55]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.800713615276129 -6.842199265000001 0.000000000000000 b 4.800713615276129 6.842199265000001 0.000000000000000 c -3.958549807555454 0.000000000000000 7.843248357832663 Atomic positions (fractional): 1 Si 0.89176146269073 0.89176146269073 0.86088408387914 28.085 2 Si 0.10823853730927 0.10823853730927 0.13911591612086 28.085 3 K 0.79469052661010 0.79469052661010 0.32635289747289 39.098 4 K 0.50000000000000 0.00000000000000 0.00000000000000 39.098 5 K 0.65699866438598 0.34300133561402 0.50000000000000 39.098 6 K 0.34300133561402 0.65699866438598 0.50000000000000 39.098 7 K 0.00000000000000 0.50000000000000 0.00000000000000 39.098 8 K 0.20530947338990 0.20530947338990 0.67364710252711 39.098 9 Te 0.36268122689881 0.36268122689881 0.11801019662128 127.600 10 Te 0.63731877310119 0.63731877310119 0.88198980337872 127.600 11 Te 0.94801478285844 0.24938144151369 0.29909564289829 127.600 12 Te 0.75061855848631 0.05198521714156 0.70090435710171 127.600 13 Te 0.05198521714156 0.75061855848631 0.70090435710171 127.600 14 Te 0.24938144151369 0.94801478285844 0.29909564289829 127.600 -------------------------------- supercell --------------------------------- Lattice vectors: a 19.202854461104515 0.000000000000000 0.000000000000000 b 0.000000000000000 13.684398530000003 0.000000000000000 c -7.917099615110908 0.000000000000000 15.686496715665326 Atomic positions (fractional): 1 Si 0.44588073134537 0.00000000000000 0.43044204193957 28.085 > 1 2 Si 0.94588073134537 0.00000000000000 0.43044204193957 28.085 > 1 3 Si 0.44588073134537 0.00000000000000 0.93044204193957 28.085 > 1 4 Si 0.94588073134537 0.00000000000000 0.93044204193957 28.085 > 1 5 Si 0.05411926865463 0.00000000000000 0.06955795806043 28.085 > 5 6 Si 0.55411926865463 0.00000000000000 0.06955795806043 28.085 > 5 7 Si 0.05411926865463 0.00000000000000 0.56955795806043 28.085 > 5 8 Si 0.55411926865463 0.00000000000000 0.56955795806043 28.085 > 5 9 Si 0.19588073134537 0.50000000000000 0.43044204193957 28.085 > 1 10 Si 0.69588073134537 0.50000000000000 0.43044204193957 28.085 > 1 11 Si 0.19588073134537 0.50000000000000 0.93044204193957 28.085 > 1 12 Si 0.69588073134537 0.50000000000000 0.93044204193957 28.085 > 1 13 Si 0.30411926865463 0.50000000000000 0.06955795806043 28.085 > 5 14 Si 0.80411926865463 0.50000000000000 0.06955795806043 28.085 > 5 15 Si 0.30411926865463 0.50000000000000 0.56955795806043 28.085 > 5 16 Si 0.80411926865463 0.50000000000000 0.56955795806043 28.085 > 5 17 K 0.39734526330505 0.00000000000000 0.16317644873645 39.098 > 17 18 K 0.89734526330505 0.00000000000000 0.16317644873645 39.098 > 17 19 K 0.39734526330505 0.00000000000000 0.66317644873645 39.098 > 17 20 K 0.89734526330505 0.00000000000000 0.66317644873645 39.098 > 17 21 K 0.37500000000000 0.25000000000000 0.00000000000000 39.098 > 21 22 K 0.87500000000000 0.25000000000000 0.00000000000000 39.098 > 21 23 K 0.37500000000000 0.25000000000000 0.50000000000000 39.098 > 21 24 K 0.87500000000000 0.25000000000000 0.50000000000000 39.098 > 21 25 K 0.25000000000000 0.84300133561402 0.25000000000000 39.098 > 25 26 K 0.75000000000000 0.84300133561402 0.25000000000000 39.098 > 25 27 K 0.25000000000000 0.84300133561402 0.75000000000000 39.098 > 25 28 K 0.75000000000000 0.84300133561402 0.75000000000000 39.098 > 25 29 K 0.25000000000000 0.15699866438598 0.25000000000000 39.098 > 29 30 K 0.75000000000000 0.15699866438598 0.25000000000000 39.098 > 29 31 K 0.25000000000000 0.15699866438598 0.75000000000000 39.098 > 29 32 K 0.75000000000000 0.15699866438598 0.75000000000000 39.098 > 29 33 K 0.37500000000000 0.75000000000000 0.00000000000000 39.098 > 33 34 K 0.87500000000000 0.75000000000000 0.00000000000000 39.098 > 33 35 K 0.37500000000000 0.75000000000000 0.50000000000000 39.098 > 33 36 K 0.87500000000000 0.75000000000000 0.50000000000000 39.098 > 33 37 K 0.10265473669495 0.00000000000000 0.33682355126355 39.098 > 37 38 K 0.60265473669495 0.00000000000000 0.33682355126355 39.098 > 37 39 K 0.10265473669495 0.00000000000000 0.83682355126355 39.098 > 37 40 K 0.60265473669495 0.00000000000000 0.83682355126355 39.098 > 37 41 K 0.14734526330505 0.50000000000000 0.16317644873645 39.098 > 17 42 K 0.64734526330505 0.50000000000000 0.16317644873645 39.098 > 17 43 K 0.14734526330505 0.50000000000000 0.66317644873645 39.098 > 17 44 K 0.64734526330505 0.50000000000000 0.66317644873645 39.098 > 17 45 K 0.12500000000000 0.75000000000000 0.00000000000000 39.098 > 21 46 K 0.62500000000000 0.75000000000000 0.00000000000000 39.098 > 21 47 K 0.12500000000000 0.75000000000000 0.50000000000000 39.098 > 21 48 K 0.62500000000000 0.75000000000000 0.50000000000000 39.098 > 21 49 K 0.00000000000000 0.34300133561402 0.25000000000000 39.098 > 25 50 K 0.50000000000000 0.34300133561402 0.25000000000000 39.098 > 25 51 K 0.00000000000000 0.34300133561402 0.75000000000000 39.098 > 25 52 K 0.50000000000000 0.34300133561402 0.75000000000000 39.098 > 25 53 K 0.00000000000000 0.65699866438598 0.25000000000000 39.098 > 29 54 K 0.50000000000000 0.65699866438598 0.25000000000000 39.098 > 29 55 K 0.00000000000000 0.65699866438598 0.75000000000000 39.098 > 29 56 K 0.50000000000000 0.65699866438598 0.75000000000000 39.098 > 29 57 K 0.12500000000000 0.25000000000000 0.00000000000000 39.098 > 33 58 K 0.62500000000000 0.25000000000000 0.00000000000000 39.098 > 33 59 K 0.12500000000000 0.25000000000000 0.50000000000000 39.098 > 33 60 K 0.62500000000000 0.25000000000000 0.50000000000000 39.098 > 33 61 K 0.35265473669495 0.50000000000000 0.33682355126355 39.098 > 37 62 K 0.85265473669495 0.50000000000000 0.33682355126355 39.098 > 37 63 K 0.35265473669495 0.50000000000000 0.83682355126355 39.098 > 37 64 K 0.85265473669495 0.50000000000000 0.83682355126355 39.098 > 37 65 Te 0.18134061344940 0.00000000000000 0.05900509831064 127.600 > 65 66 Te 0.68134061344940 0.00000000000000 0.05900509831064 127.600 > 65 67 Te 0.18134061344940 0.00000000000000 0.55900509831064 127.600 > 65 68 Te 0.68134061344940 0.00000000000000 0.55900509831064 127.600 > 65 69 Te 0.31865938655060 0.00000000000000 0.44099490168936 127.600 > 69 70 Te 0.81865938655060 0.00000000000000 0.44099490168936 127.600 > 69 71 Te 0.31865938655060 0.00000000000000 0.94099490168936 127.600 > 69 72 Te 0.81865938655060 0.00000000000000 0.94099490168936 127.600 > 69 73 Te 0.29934905609303 0.65068332932762 0.14954782144914 127.600 > 73 74 Te 0.79934905609303 0.65068332932762 0.14954782144914 127.600 > 73 75 Te 0.29934905609303 0.65068332932762 0.64954782144914 127.600 > 73 76 Te 0.79934905609303 0.65068332932762 0.64954782144914 127.600 > 73 77 Te 0.20065094390697 0.65068332932762 0.35045217855086 127.600 > 77 78 Te 0.70065094390697 0.65068332932762 0.35045217855086 127.600 > 77 79 Te 0.20065094390697 0.65068332932762 0.85045217855086 127.600 > 77 80 Te 0.70065094390697 0.65068332932762 0.85045217855086 127.600 > 77 81 Te 0.20065094390697 0.34931667067237 0.35045217855086 127.600 > 81 82 Te 0.70065094390697 0.34931667067237 0.35045217855086 127.600 > 81 83 Te 0.20065094390697 0.34931667067237 0.85045217855086 127.600 > 81 84 Te 0.70065094390697 0.34931667067237 0.85045217855086 127.600 > 81 85 Te 0.29934905609303 0.34931667067237 0.14954782144914 127.600 > 85 86 Te 0.79934905609303 0.34931667067237 0.14954782144914 127.600 > 85 87 Te 0.29934905609303 0.34931667067237 0.64954782144914 127.600 > 85 88 Te 0.79934905609303 0.34931667067237 0.64954782144914 127.600 > 85 89 Te 0.43134061344940 0.50000000000000 0.05900509831064 127.600 > 65 90 Te 0.93134061344940 0.50000000000000 0.05900509831064 127.600 > 65 91 Te 0.43134061344940 0.50000000000000 0.55900509831064 127.600 > 65 92 Te 0.93134061344940 0.50000000000000 0.55900509831064 127.600 > 65 93 Te 0.06865938655060 0.50000000000000 0.44099490168936 127.600 > 69 94 Te 0.56865938655060 0.50000000000000 0.44099490168936 127.600 > 69 95 Te 0.06865938655060 0.50000000000000 0.94099490168936 127.600 > 69 96 Te 0.56865938655060 0.50000000000000 0.94099490168936 127.600 > 69 97 Te 0.04934905609303 0.15068332932762 0.14954782144914 127.600 > 73 98 Te 0.54934905609303 0.15068332932762 0.14954782144914 127.600 > 73 99 Te 0.04934905609303 0.15068332932762 0.64954782144914 127.600 > 73 100 Te 0.54934905609303 0.15068332932762 0.64954782144914 127.600 > 73 101 Te 0.45065094390697 0.15068332932762 0.35045217855086 127.600 > 77 102 Te 0.95065094390697 0.15068332932762 0.35045217855086 127.600 > 77 103 Te 0.45065094390697 0.15068332932762 0.85045217855086 127.600 > 77 104 Te 0.95065094390697 0.15068332932762 0.85045217855086 127.600 > 77 105 Te 0.45065094390697 0.84931667067238 0.35045217855086 127.600 > 81 106 Te 0.95065094390697 0.84931667067238 0.35045217855086 127.600 > 81 107 Te 0.45065094390697 0.84931667067238 0.85045217855086 127.600 > 81 108 Te 0.95065094390697 0.84931667067238 0.85045217855086 127.600 > 81 109 Te 0.04934905609303 0.84931667067238 0.14954782144914 127.600 > 85 110 Te 0.54934905609303 0.84931667067238 0.14954782144914 127.600 > 85 111 Te 0.04934905609303 0.84931667067238 0.64954782144914 127.600 > 85 112 Te 0.54934905609303 0.84931667067238 0.64954782144914 127.600 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.2296776 0.0000000 -0.2034159 0.0000000 5.0298745 0.0000000 -0.2034199 0.0000000 4.9927244 -------------------------- Born effective charges -------------------------- 1 Si 1.8677765 0.0000000 -0.1588553 0.0000000 1.9695594 0.0000000 -0.3754387 0.0000000 1.3049260 2 Si 1.8677765 0.0000000 -0.1588553 0.0000000 1.9695594 0.0000000 -0.3754387 0.0000000 1.3049260 3 K 1.4195344 0.0000000 -0.1209596 0.0000000 0.8354220 0.0000000 -0.1187919 0.0000000 1.3681039 4 K 1.0552218 -0.3781996 0.0384789 -0.4557291 1.3758100 0.0172170 -0.0319009 0.1269601 0.8773823 5 K 1.0508239 0.0000000 0.1736516 0.0000000 1.3257101 0.0000000 0.0816178 0.0000000 1.3190375 6 K 1.0508239 0.0000000 0.1736516 0.0000000 1.3257101 0.0000000 0.0816178 0.0000000 1.3190375 7 K 1.0552218 0.3781996 0.0384789 0.4557291 1.3758100 -0.0172170 -0.0319009 -0.1269601 0.8773823 8 K 1.4195344 0.0000000 -0.1209596 0.0000000 0.8354220 0.0000000 -0.1187919 0.0000000 1.3681039 9 Te -2.4144141 0.0000000 -0.3538702 0.0000000 -1.3155834 0.0000000 -0.1490757 0.0000000 -1.3923180 10 Te -2.4144141 0.0000000 -0.3538702 0.0000000 -1.3155834 0.0000000 -0.1490757 0.0000000 -1.3923180 11 Te -1.4894712 0.3989989 0.2107773 0.3357096 -2.0954590 -0.5542319 0.2967947 -0.6291638 -1.7385658 12 Te -1.4894712 -0.3989989 0.2107773 -0.3357096 -2.0954590 0.5542319 0.2967947 0.6291638 -1.7385658 13 Te -1.4894712 0.3989989 0.2107773 0.3357096 -2.0954590 -0.5542319 0.2967947 -0.6291638 -1.7385658 14 Te -1.4894712 -0.3989989 0.2107773 -0.3357096 -2.0954590 0.5542319 0.2967947 0.6291638 -1.7385658 ---------------------------------------------------------------------------- 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] [-0.0045 0.0000 0.0089] [ 0.0045 0.0000 -0.0089] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0045 0.0000 0.0089] [ 0.0045 0.0000 -0.0089] Computing fc3[ 21, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0045 0.0000 0.0089] [ 0.0045 0.0000 -0.0089] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0045 0.0000 0.0089] [ 0.0045 0.0000 -0.0089] Computing fc3[ 65, 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] [-0.0045 0.0000 0.0089] [ 0.0045 0.0000 -0.0089] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0045 0.0000 0.0089] [ 0.0045 0.0000 -0.0089] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (zzz) 0.00000001 (zzz) 0.00000001 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000005 (xz) 0.00000005 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:31:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:31:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.800713615276129 -6.842199265000001 0.000000000000000 b 4.800713615276129 6.842199265000001 0.000000000000000 c -3.958549807555454 0.000000000000000 7.843248357832663 Atomic positions (fractional): 1 Si 0.89176146269073 0.89176146269073 0.86088408387914 28.085 2 Si 0.10823853730927 0.10823853730927 0.13911591612086 28.085 3 K 0.79469052661010 0.79469052661010 0.32635289747289 39.098 4 K 0.50000000000000 0.00000000000000 0.00000000000000 39.098 5 K 0.65699866438598 0.34300133561402 0.50000000000000 39.098 6 K 0.34300133561402 0.65699866438598 0.50000000000000 39.098 7 K 0.00000000000000 0.50000000000000 0.00000000000000 39.098 8 K 0.20530947338990 0.20530947338990 0.67364710252711 39.098 9 Te 0.36268122689881 0.36268122689881 0.11801019662128 127.600 10 Te 0.63731877310119 0.63731877310119 0.88198980337872 127.600 11 Te 0.94801478285844 0.24938144151369 0.29909564289829 127.600 12 Te 0.75061855848631 0.05198521714156 0.70090435710171 127.600 13 Te 0.05198521714156 0.75061855848631 0.70090435710171 127.600 14 Te 0.24938144151369 0.94801478285844 0.29909564289829 127.600 -------------------------------- supercell --------------------------------- Lattice vectors: a 19.202854461104515 0.000000000000000 0.000000000000000 b 0.000000000000000 13.684398530000003 0.000000000000000 c -7.917099615110908 0.000000000000000 15.686496715665326 Atomic positions (fractional): 1 Si 0.44588073134537 0.00000000000000 0.43044204193957 28.085 > 1 2 Si 0.94588073134537 0.00000000000000 0.43044204193957 28.085 > 1 3 Si 0.44588073134537 0.00000000000000 0.93044204193957 28.085 > 1 4 Si 0.94588073134537 0.00000000000000 0.93044204193957 28.085 > 1 5 Si 0.05411926865463 0.00000000000000 0.06955795806043 28.085 > 5 6 Si 0.55411926865463 0.00000000000000 0.06955795806043 28.085 > 5 7 Si 0.05411926865463 0.00000000000000 0.56955795806043 28.085 > 5 8 Si 0.55411926865463 0.00000000000000 0.56955795806043 28.085 > 5 9 Si 0.19588073134537 0.50000000000000 0.43044204193957 28.085 > 1 10 Si 0.69588073134537 0.50000000000000 0.43044204193957 28.085 > 1 11 Si 0.19588073134537 0.50000000000000 0.93044204193957 28.085 > 1 12 Si 0.69588073134537 0.50000000000000 0.93044204193957 28.085 > 1 13 Si 0.30411926865463 0.50000000000000 0.06955795806043 28.085 > 5 14 Si 0.80411926865463 0.50000000000000 0.06955795806043 28.085 > 5 15 Si 0.30411926865463 0.50000000000000 0.56955795806043 28.085 > 5 16 Si 0.80411926865463 0.50000000000000 0.56955795806043 28.085 > 5 17 K 0.39734526330505 0.00000000000000 0.16317644873645 39.098 > 17 18 K 0.89734526330505 0.00000000000000 0.16317644873645 39.098 > 17 19 K 0.39734526330505 0.00000000000000 0.66317644873645 39.098 > 17 20 K 0.89734526330505 0.00000000000000 0.66317644873645 39.098 > 17 21 K 0.37500000000000 0.25000000000000 0.00000000000000 39.098 > 21 22 K 0.87500000000000 0.25000000000000 0.00000000000000 39.098 > 21 23 K 0.37500000000000 0.25000000000000 0.50000000000000 39.098 > 21 24 K 0.87500000000000 0.25000000000000 0.50000000000000 39.098 > 21 25 K 0.25000000000000 0.84300133561402 0.25000000000000 39.098 > 25 26 K 0.75000000000000 0.84300133561402 0.25000000000000 39.098 > 25 27 K 0.25000000000000 0.84300133561402 0.75000000000000 39.098 > 25 28 K 0.75000000000000 0.84300133561402 0.75000000000000 39.098 > 25 29 K 0.25000000000000 0.15699866438598 0.25000000000000 39.098 > 29 30 K 0.75000000000000 0.15699866438598 0.25000000000000 39.098 > 29 31 K 0.25000000000000 0.15699866438598 0.75000000000000 39.098 > 29 32 K 0.75000000000000 0.15699866438598 0.75000000000000 39.098 > 29 33 K 0.37500000000000 0.75000000000000 0.00000000000000 39.098 > 33 34 K 0.87500000000000 0.75000000000000 0.00000000000000 39.098 > 33 35 K 0.37500000000000 0.75000000000000 0.50000000000000 39.098 > 33 36 K 0.87500000000000 0.75000000000000 0.50000000000000 39.098 > 33 37 K 0.10265473669495 0.00000000000000 0.33682355126355 39.098 > 37 38 K 0.60265473669495 0.00000000000000 0.33682355126355 39.098 > 37 39 K 0.10265473669495 0.00000000000000 0.83682355126355 39.098 > 37 40 K 0.60265473669495 0.00000000000000 0.83682355126355 39.098 > 37 41 K 0.14734526330505 0.50000000000000 0.16317644873645 39.098 > 17 42 K 0.64734526330505 0.50000000000000 0.16317644873645 39.098 > 17 43 K 0.14734526330505 0.50000000000000 0.66317644873645 39.098 > 17 44 K 0.64734526330505 0.50000000000000 0.66317644873645 39.098 > 17 45 K 0.12500000000000 0.75000000000000 0.00000000000000 39.098 > 21 46 K 0.62500000000000 0.75000000000000 0.00000000000000 39.098 > 21 47 K 0.12500000000000 0.75000000000000 0.50000000000000 39.098 > 21 48 K 0.62500000000000 0.75000000000000 0.50000000000000 39.098 > 21 49 K 0.00000000000000 0.34300133561402 0.25000000000000 39.098 > 25 50 K 0.50000000000000 0.34300133561402 0.25000000000000 39.098 > 25 51 K 0.00000000000000 0.34300133561402 0.75000000000000 39.098 > 25 52 K 0.50000000000000 0.34300133561402 0.75000000000000 39.098 > 25 53 K 0.00000000000000 0.65699866438598 0.25000000000000 39.098 > 29 54 K 0.50000000000000 0.65699866438598 0.25000000000000 39.098 > 29 55 K 0.00000000000000 0.65699866438598 0.75000000000000 39.098 > 29 56 K 0.50000000000000 0.65699866438598 0.75000000000000 39.098 > 29 57 K 0.12500000000000 0.25000000000000 0.00000000000000 39.098 > 33 58 K 0.62500000000000 0.25000000000000 0.00000000000000 39.098 > 33 59 K 0.12500000000000 0.25000000000000 0.50000000000000 39.098 > 33 60 K 0.62500000000000 0.25000000000000 0.50000000000000 39.098 > 33 61 K 0.35265473669495 0.50000000000000 0.33682355126355 39.098 > 37 62 K 0.85265473669495 0.50000000000000 0.33682355126355 39.098 > 37 63 K 0.35265473669495 0.50000000000000 0.83682355126355 39.098 > 37 64 K 0.85265473669495 0.50000000000000 0.83682355126355 39.098 > 37 65 Te 0.18134061344940 0.00000000000000 0.05900509831064 127.600 > 65 66 Te 0.68134061344940 0.00000000000000 0.05900509831064 127.600 > 65 67 Te 0.18134061344940 0.00000000000000 0.55900509831064 127.600 > 65 68 Te 0.68134061344940 0.00000000000000 0.55900509831064 127.600 > 65 69 Te 0.31865938655060 0.00000000000000 0.44099490168936 127.600 > 69 70 Te 0.81865938655060 0.00000000000000 0.44099490168936 127.600 > 69 71 Te 0.31865938655060 0.00000000000000 0.94099490168936 127.600 > 69 72 Te 0.81865938655060 0.00000000000000 0.94099490168936 127.600 > 69 73 Te 0.29934905609303 0.65068332932762 0.14954782144914 127.600 > 73 74 Te 0.79934905609303 0.65068332932762 0.14954782144914 127.600 > 73 75 Te 0.29934905609303 0.65068332932762 0.64954782144914 127.600 > 73 76 Te 0.79934905609303 0.65068332932762 0.64954782144914 127.600 > 73 77 Te 0.20065094390697 0.65068332932762 0.35045217855086 127.600 > 77 78 Te 0.70065094390697 0.65068332932762 0.35045217855086 127.600 > 77 79 Te 0.20065094390697 0.65068332932762 0.85045217855086 127.600 > 77 80 Te 0.70065094390697 0.65068332932762 0.85045217855086 127.600 > 77 81 Te 0.20065094390697 0.34931667067237 0.35045217855086 127.600 > 81 82 Te 0.70065094390697 0.34931667067237 0.35045217855086 127.600 > 81 83 Te 0.20065094390697 0.34931667067237 0.85045217855086 127.600 > 81 84 Te 0.70065094390697 0.34931667067237 0.85045217855086 127.600 > 81 85 Te 0.29934905609303 0.34931667067237 0.14954782144914 127.600 > 85 86 Te 0.79934905609303 0.34931667067237 0.14954782144914 127.600 > 85 87 Te 0.29934905609303 0.34931667067237 0.64954782144914 127.600 > 85 88 Te 0.79934905609303 0.34931667067237 0.64954782144914 127.600 > 85 89 Te 0.43134061344940 0.50000000000000 0.05900509831064 127.600 > 65 90 Te 0.93134061344940 0.50000000000000 0.05900509831064 127.600 > 65 91 Te 0.43134061344940 0.50000000000000 0.55900509831064 127.600 > 65 92 Te 0.93134061344940 0.50000000000000 0.55900509831064 127.600 > 65 93 Te 0.06865938655060 0.50000000000000 0.44099490168936 127.600 > 69 94 Te 0.56865938655060 0.50000000000000 0.44099490168936 127.600 > 69 95 Te 0.06865938655060 0.50000000000000 0.94099490168936 127.600 > 69 96 Te 0.56865938655060 0.50000000000000 0.94099490168936 127.600 > 69 97 Te 0.04934905609303 0.15068332932762 0.14954782144914 127.600 > 73 98 Te 0.54934905609303 0.15068332932762 0.14954782144914 127.600 > 73 99 Te 0.04934905609303 0.15068332932762 0.64954782144914 127.600 > 73 100 Te 0.54934905609303 0.15068332932762 0.64954782144914 127.600 > 73 101 Te 0.45065094390697 0.15068332932762 0.35045217855086 127.600 > 77 102 Te 0.95065094390697 0.15068332932762 0.35045217855086 127.600 > 77 103 Te 0.45065094390697 0.15068332932762 0.85045217855086 127.600 > 77 104 Te 0.95065094390697 0.15068332932762 0.85045217855086 127.600 > 77 105 Te 0.45065094390697 0.84931667067238 0.35045217855086 127.600 > 81 106 Te 0.95065094390697 0.84931667067238 0.35045217855086 127.600 > 81 107 Te 0.45065094390697 0.84931667067238 0.85045217855086 127.600 > 81 108 Te 0.95065094390697 0.84931667067238 0.85045217855086 127.600 > 81 109 Te 0.04934905609303 0.84931667067238 0.14954782144914 127.600 > 85 110 Te 0.54934905609303 0.84931667067238 0.14954782144914 127.600 > 85 111 Te 0.04934905609303 0.84931667067238 0.64954782144914 127.600 > 85 112 Te 0.54934905609303 0.84931667067238 0.64954782144914 127.600 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.2296776 0.0000000 -0.2034159 0.0000000 5.0298745 0.0000000 -0.2034199 0.0000000 4.9927244 -------------------------- Born effective charges -------------------------- 1 Si 1.8677765 0.0000000 -0.1588553 0.0000000 1.9695594 0.0000000 -0.3754387 0.0000000 1.3049260 2 Si 1.8677765 0.0000000 -0.1588553 0.0000000 1.9695594 0.0000000 -0.3754387 0.0000000 1.3049260 3 K 1.4195344 0.0000000 -0.1209596 0.0000000 0.8354220 0.0000000 -0.1187919 0.0000000 1.3681039 4 K 1.0552218 -0.3781996 0.0384789 -0.4557291 1.3758100 0.0172170 -0.0319009 0.1269601 0.8773823 5 K 1.0508239 0.0000000 0.1736516 0.0000000 1.3257101 0.0000000 0.0816178 0.0000000 1.3190375 6 K 1.0508239 0.0000000 0.1736516 0.0000000 1.3257101 0.0000000 0.0816178 0.0000000 1.3190375 7 K 1.0552218 0.3781996 0.0384789 0.4557291 1.3758100 -0.0172170 -0.0319009 -0.1269601 0.8773823 8 K 1.4195344 0.0000000 -0.1209596 0.0000000 0.8354220 0.0000000 -0.1187919 0.0000000 1.3681039 9 Te -2.4144141 0.0000000 -0.3538702 0.0000000 -1.3155834 0.0000000 -0.1490757 0.0000000 -1.3923180 10 Te -2.4144141 0.0000000 -0.3538702 0.0000000 -1.3155834 0.0000000 -0.1490757 0.0000000 -1.3923180 11 Te -1.4894712 0.3989989 0.2107773 0.3357096 -2.0954590 -0.5542319 0.2967947 -0.6291638 -1.7385658 12 Te -1.4894712 -0.3989989 0.2107773 -0.3357096 -2.0954590 0.5542319 0.2967947 0.6291638 -1.7385658 13 Te -1.4894712 0.3989989 0.2107773 0.3357096 -2.0954590 -0.5542319 0.2967947 -0.6291638 -1.7385658 14 Te -1.4894712 -0.3989989 0.2107773 -0.3357096 -2.0954590 0.5542319 0.2967947 0.6291638 -1.7385658 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (zzz) 0.00000001 (zzz) 0.00000001 (zzz) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 7 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.52, Number of G-points: 303, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/88) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.063 ( 0.000 0.000 0.000) 0.000 1.181 ( 0.000 0.000 0.000) 0.000 1.500 ( 0.000 0.000 0.000) 0.000 1.578 ( 0.000 0.000 0.000) 0.000 1.594 ( 0.000 0.000 0.000) 0.000 1.626 ( 0.000 0.000 0.000) 0.000 1.774 ( 0.000 0.000 0.000) 0.000 1.913 ( 0.000 0.000 0.000) 0.000 1.961 ( 0.000 0.000 0.000) 0.000 2.103 ( 0.000 0.000 0.000) 0.000 2.142 ( 0.000 0.000 0.000) 0.000 2.171 ( 0.000 0.000 0.000) 0.000 2.208 ( 0.000 0.000 0.000) 0.000 2.237 ( 0.000 0.000 0.000) 0.000 2.272 ( 0.000 0.000 0.000) 0.000 2.376 ( 0.000 0.000 0.000) 0.000 2.406 ( 0.000 0.000 0.000) 0.000 2.527 ( 0.000 0.000 0.000) 0.000 2.685 ( 0.000 0.000 0.000) 0.000 2.762 ( 0.000 0.000 0.000) 0.000 2.789 ( 0.000 0.000 0.000) 0.000 2.992 ( 0.000 0.000 0.000) 0.000 3.065 ( 0.000 0.000 0.000) 0.000 3.113 ( 0.000 0.000 0.000) 0.000 3.133 ( 0.000 0.000 0.000) 0.000 3.266 ( 0.000 0.000 0.000) 0.000 3.549 ( 0.000 0.000 0.000) 0.000 3.655 ( 0.000 0.000 0.000) 0.000 3.978 ( 0.000 0.000 0.000) 0.000 3.999 ( 0.000 0.000 0.000) 0.000 4.029 ( 0.000 0.000 0.000) 0.000 4.118 ( 0.000 0.000 0.000) 0.000 4.222 ( 0.000 0.000 0.000) 0.000 6.864 ( 0.000 0.000 0.000) 0.000 10.090 ( 0.000 0.000 0.000) 0.000 10.417 ( 0.000 0.000 0.000) 0.000 10.504 ( 0.000 0.000 0.000) 0.000 10.526 ( 0.000 0.000 0.000) 0.000 13.170 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/88) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.304 ( 6.218 -13.502 7.147) 16.493 0.336 ( 12.288 -10.476 3.973) 16.629 0.585 ( 23.777 -6.728 17.793) 30.450 1.074 ( -1.089 -1.985 2.636) 3.474 1.182 ( 0.221 -1.214 -1.653) 2.063 1.396 ( -5.613 3.323 -4.532) 7.942 1.509 ( -3.898 2.603 -3.888) 6.089 1.575 ( -1.211 2.721 -2.733) 4.042 1.682 ( 2.759 -4.496 -2.739) 5.944 1.786 ( 1.579 2.268 0.500) 2.809 1.827 ( -1.923 -0.076 -3.429) 3.932 2.041 ( 0.139 4.381 3.015) 5.320 2.062 ( 0.575 2.007 -2.594) 3.330 2.134 ( 2.231 0.541 1.643) 2.823 2.203 ( -3.494 -2.946 1.571) 4.832 2.220 ( 1.133 -0.713 -1.650) 2.125 2.278 ( -2.359 -3.508 -2.751) 5.043 2.296 ( 0.296 0.668 2.637) 2.736 2.390 ( 1.148 -1.248 -1.151) 2.049 2.438 ( -2.053 1.581 -1.907) 3.217 2.528 ( -0.377 -4.949 -1.661) 5.234 2.692 ( -6.703 2.007 2.093) 7.303 2.777 ( -1.474 -1.662 1.450) 2.653 2.854 ( 3.526 2.940 -0.734) 4.649 2.995 ( -0.147 1.095 0.531) 1.226 3.079 ( -1.213 -1.603 -2.588) 3.277 3.109 ( 1.891 -0.869 0.850) 2.248 3.210 ( 4.162 -0.319 1.399) 4.402 3.325 ( -4.546 -5.606 2.086) 7.513 3.562 ( 2.288 0.435 -2.214) 3.213 3.662 ( 1.216 -0.607 -0.981) 1.676 3.896 ( -4.836 -1.574 -5.357) 7.387 4.056 ( 1.504 -0.041 2.010) 2.510 4.102 ( 2.588 0.044 3.658) 4.482 4.222 ( 0.291 0.641 0.677) 0.976 4.380 ( -0.217 7.851 3.208) 8.484 6.957 ( -0.653 6.296 8.412) 10.527 10.165 ( 7.245 3.855 -6.319) 10.358 10.504 ( -1.565 -1.477 0.293) 2.172 10.521 ( -1.264 -2.146 -0.272) 2.506 10.539 ( -2.100 -8.890 -7.146) 11.597 13.166 ( 0.233 0.727 -0.452) 0.888 ======================= Grid point 2 (3/88) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.555 ( 3.615 -9.846 6.268) 12.219 0.630 ( 9.778 -8.894 2.889) 13.530 1.052 ( 12.345 -1.231 10.015) 15.944 1.137 ( 3.257 -6.094 5.990) 9.145 1.199 ( 2.720 -0.690 -1.650) 3.255 1.262 ( -3.357 1.683 -1.447) 4.024 1.385 ( -3.416 3.395 -4.395) 6.520 1.512 ( -1.555 1.286 -0.909) 2.213 1.724 ( 0.727 0.143 -2.304) 2.420 1.747 ( -0.767 -0.599 -3.419) 3.555 1.839 ( 2.462 -0.314 1.062) 2.700 1.965 ( -1.310 2.061 -5.686) 6.188 2.057 ( -0.033 2.652 1.916) 3.272 2.127 ( -1.906 3.237 1.433) 4.021 2.160 ( -2.667 3.385 -0.941) 4.411 2.225 ( -6.026 -7.116 -0.388) 9.333 2.241 ( 0.652 -0.511 -1.085) 1.365 2.341 ( -0.037 7.448 -0.079) 7.448 2.360 ( -0.375 -3.826 4.133) 5.644 2.433 ( 1.096 -1.950 -1.407) 2.643 2.565 ( 1.007 -2.501 -2.033) 3.377 2.623 ( -1.434 2.870 3.941) 5.082 2.770 ( -1.722 0.159 0.024) 1.730 2.859 ( 0.257 0.676 -0.346) 0.802 2.978 ( -4.406 -0.805 3.505) 5.687 3.057 ( 1.496 -0.428 -5.081) 5.314 3.135 ( 0.835 0.148 -1.421) 1.655 3.283 ( 2.338 -4.387 -0.933) 5.058 3.343 ( -0.392 -0.624 3.098) 3.184 3.584 ( 1.964 0.358 0.585) 2.080 3.692 ( 2.393 -1.006 -1.220) 2.868 3.833 ( -0.989 -1.787 -2.742) 3.419 4.083 ( 0.159 1.052 0.634) 1.238 4.135 ( 0.775 1.671 1.819) 2.588 4.236 ( 0.896 0.788 2.123) 2.435 4.303 ( -2.650 2.893 -1.107) 4.076 6.942 ( -0.014 3.311 2.619) 4.222 10.190 ( 3.229 0.268 -2.375) 4.017 10.491 ( -1.331 -0.373 -0.107) 1.387 10.530 ( -0.239 -1.171 0.469) 1.284 10.545 ( -0.011 -3.302 -3.891) 5.103 13.157 ( 0.294 0.903 -0.568) 1.107 ======================= Grid point 3 (4/88) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( 0.688 -3.557 2.757) 4.553 0.833 ( 4.551 -4.355 1.626) 6.506 1.148 ( -0.927 0.089 0.300) 0.979 1.180 ( 0.721 -1.550 -1.161) 2.067 1.242 ( 0.918 -5.226 -1.143) 5.427 1.299 ( 1.879 8.487 3.119) 9.236 1.330 ( 1.132 0.217 0.598) 1.298 1.536 ( 1.384 -2.323 3.124) 4.132 1.651 ( -2.308 1.952 -3.142) 4.360 1.792 ( 1.474 -4.644 0.588) 4.908 1.865 ( -0.581 3.545 -5.364) 6.455 1.915 ( 3.634 -2.706 1.885) 4.908 2.017 ( -1.706 3.119 0.311) 3.568 2.058 ( -2.893 1.161 0.567) 3.169 2.133 ( 0.336 2.065 1.800) 2.760 2.216 ( -2.250 -2.460 -0.720) 3.410 2.234 ( -1.212 -2.789 -2.345) 3.841 2.286 ( 1.833 5.669 0.865) 6.021 2.381 ( -2.350 -1.313 -0.406) 2.723 2.447 ( -0.129 -0.566 0.557) 0.805 2.595 ( 1.862 -1.760 -1.670) 3.058 2.642 ( 2.541 1.768 4.491) 5.454 2.716 ( -3.950 0.372 -1.871) 4.386 2.842 ( -0.471 0.767 -0.717) 1.151 2.955 ( -2.364 -0.953 2.298) 3.432 3.050 ( 1.085 0.180 -2.755) 2.967 3.130 ( 0.003 0.043 -0.387) 0.389 3.343 ( 0.831 -3.985 -2.205) 4.630 3.359 ( 0.105 1.569 2.711) 3.134 3.612 ( 0.907 0.030 0.689) 1.139 3.716 ( 0.764 -0.366 -0.644) 1.064 3.881 ( 4.683 -3.067 0.423) 5.614 4.013 ( -5.243 3.549 -0.932) 6.399 4.144 ( 0.769 0.707 0.489) 1.154 4.234 ( -0.482 1.307 0.479) 1.473 4.271 ( 0.021 -0.630 -0.219) 0.668 6.931 ( 0.054 1.154 0.608) 1.305 10.213 ( 1.065 -0.250 -0.663) 1.279 10.477 ( -0.464 0.077 -0.124) 0.487 10.540 ( -0.159 -0.515 0.290) 0.612 10.549 ( 0.186 -0.892 -1.373) 1.648 13.150 ( 0.132 0.400 -0.254) 0.492 ======================= Grid point 8 (5/88) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.396 ( 8.502 -0.000 6.140) 10.487 0.527 ( 11.803 -0.000 6.784) 13.614 1.052 ( -3.077 0.000 3.022) 4.313 1.053 ( 22.198 -0.000 16.928) 27.916 1.188 ( 2.816 -0.000 -0.287) 2.831 1.271 ( -5.403 0.000 -3.749) 6.576 1.415 ( -4.689 0.000 -6.305) 7.858 1.578 ( -3.207 0.000 0.521) 3.249 1.676 ( 3.803 -0.000 -3.073) 4.890 1.758 ( -1.323 0.000 -4.726) 4.907 1.846 ( 1.549 -0.000 1.762) 2.346 1.991 ( -1.556 0.000 -6.400) 6.586 2.105 ( -2.465 0.000 1.649) 2.966 2.136 ( -1.763 0.000 -1.775) 2.502 2.150 ( 1.225 -0.000 1.620) 2.031 2.210 ( -1.060 0.000 1.265) 1.650 2.224 ( -8.198 0.000 -2.228) 8.496 2.307 ( 1.775 -0.000 3.730) 4.130 2.407 ( 2.655 -0.000 -1.008) 2.840 2.484 ( 3.427 -0.000 -0.412) 3.451 2.489 ( 0.971 -0.000 -1.294) 1.618 2.664 ( -2.402 0.000 4.863) 5.424 2.767 ( -1.068 0.000 3.141) 3.317 2.860 ( -1.598 0.000 -1.412) 2.133 2.968 ( -4.072 0.000 1.414) 4.310 3.060 ( 0.400 -0.000 -3.032) 3.058 3.122 ( 3.300 -0.000 -4.686) 5.731 3.257 ( -1.196 0.000 1.444) 1.875 3.313 ( 2.328 -0.000 3.796) 4.453 3.590 ( 2.479 -0.000 -0.339) 2.502 3.682 ( 2.693 -0.000 -0.821) 2.815 3.808 ( -1.354 0.000 -2.340) 2.704 4.094 ( 1.244 -0.000 0.439) 1.320 4.150 ( 0.248 -0.000 2.381) 2.394 4.236 ( 1.292 -0.000 0.393) 1.350 4.359 ( -5.641 0.000 -0.937) 5.718 6.988 ( -3.270 0.000 3.704) 4.941 10.215 ( 3.441 -0.000 -6.168) 7.063 10.431 ( -1.006 0.000 3.402) 3.548 10.504 ( 0.264 -0.000 -0.034) 0.266 10.541 ( 3.957 -0.000 -5.966) 7.159 13.167 ( 0.132 -0.000 -0.959) 0.968 ======================= Grid point 9 (6/88) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.579 ( 4.976 -5.147 5.416) 8.977 0.742 ( 8.396 -2.766 4.987) 10.150 1.042 ( -2.508 -4.185 0.385) 4.894 1.172 ( -2.689 0.318 -1.940) 3.330 1.276 ( 2.182 2.917 -0.004) 3.642 1.308 ( 1.102 -0.524 0.034) 1.221 1.427 ( 10.149 0.055 6.153) 11.869 1.518 ( -2.612 1.938 2.808) 4.296 1.697 ( -1.257 1.726 -4.059) 4.586 1.711 ( 1.739 -2.348 -1.502) 3.286 1.878 ( 1.425 -0.721 1.545) 2.222 1.931 ( 0.685 1.883 -4.575) 4.994 2.067 ( -4.694 -2.060 -0.402) 5.142 2.084 ( -5.284 0.993 -0.181) 5.379 2.108 ( 0.042 1.380 1.581) 2.099 2.179 ( -2.338 -0.823 -3.802) 4.539 2.204 ( 2.195 -0.057 1.803) 2.841 2.370 ( 1.050 0.050 2.684) 2.883 2.412 ( -1.918 -0.901 -1.165) 2.418 2.453 ( 3.129 6.018 -0.158) 6.785 2.548 ( 2.355 -2.893 -2.644) 4.573 2.682 ( 0.557 1.635 5.676) 5.933 2.752 ( -2.947 2.977 1.292) 4.384 2.833 ( -2.197 -2.220 0.916) 3.255 2.926 ( -3.167 -1.183 1.904) 3.880 3.038 ( 0.259 -0.611 -3.664) 3.723 3.131 ( 1.406 -0.574 -3.482) 3.799 3.262 ( -0.105 -1.864 0.783) 2.025 3.368 ( 1.091 -0.487 3.034) 3.261 3.625 ( 2.593 0.788 -0.219) 2.719 3.713 ( 1.567 -0.023 -0.419) 1.622 3.828 ( 3.336 -1.712 0.914) 3.859 4.071 ( -3.482 1.619 -1.314) 4.059 4.146 ( -1.836 -0.227 0.467) 1.908 4.261 ( -1.154 0.728 -0.003) 1.365 4.270 ( -0.086 0.527 -1.417) 1.514 6.954 ( -2.860 0.765 1.173) 3.184 10.220 ( 1.661 0.659 -1.229) 2.169 10.451 ( -2.016 -1.926 3.159) 4.213 10.515 ( 1.706 -0.394 -1.643) 2.402 10.557 ( 4.745 0.339 -6.396) 7.971 13.157 ( -0.211 0.216 -1.161) 1.199 ======================= Grid point 10 (7/88) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( 1.826 -2.168 2.334) 3.671 0.876 ( 2.488 0.129 1.822) 3.087 1.065 ( -3.382 -9.065 -2.053) 9.891 1.141 ( -0.215 -0.276 0.993) 1.053 1.194 ( -3.213 0.407 -3.070) 4.462 1.374 ( 0.700 3.612 -2.611) 4.511 1.426 ( -1.795 6.900 3.904) 8.128 1.549 ( 3.982 -1.440 0.244) 4.242 1.641 ( 0.324 1.345 -0.474) 1.462 1.793 ( 3.126 -2.149 1.678) 4.148 1.883 ( -0.491 1.922 1.479) 2.474 1.957 ( -0.406 0.433 2.273) 2.349 1.997 ( -1.911 0.636 -2.174) 2.963 2.047 ( -0.216 0.495 -1.342) 1.446 2.102 ( -2.152 -0.713 0.485) 2.318 2.127 ( -0.902 -2.759 -3.566) 4.598 2.218 ( -1.583 -1.532 -0.003) 2.202 2.359 ( 2.379 2.227 0.504) 3.298 2.427 ( 0.560 -0.150 1.424) 1.537 2.458 ( 4.120 3.968 0.881) 5.788 2.584 ( 0.990 -1.949 -2.782) 3.538 2.663 ( -3.508 3.747 0.391) 5.148 2.727 ( 2.108 1.083 4.210) 4.831 2.828 ( -0.875 -0.454 0.439) 1.078 2.948 ( 1.026 -2.003 2.477) 3.346 3.024 ( -1.285 -1.560 -1.085) 2.294 3.136 ( 0.821 -0.162 -0.358) 0.910 3.290 ( 0.019 -3.368 -1.508) 3.690 3.399 ( 0.031 0.751 3.090) 3.180 3.630 ( 0.733 1.549 -2.565) 3.085 3.726 ( 0.269 0.472 1.399) 1.501 3.929 ( 2.734 -1.617 1.739) 3.621 3.961 ( -3.271 1.792 -0.831) 3.821 4.117 ( -3.056 -1.648 -0.848) 3.574 4.218 ( -0.894 -0.283 -2.697) 2.856 4.291 ( 1.656 1.049 0.442) 2.010 6.912 ( -2.989 -0.580 -0.024) 3.045 10.227 ( -0.002 0.861 1.258) 1.524 10.458 ( -1.693 -1.443 1.847) 2.892 10.535 ( 2.519 -0.009 -2.351) 3.446 10.578 ( 4.357 0.891 -4.155) 6.086 13.143 ( -0.550 -0.235 -0.878) 1.063 ======================= Grid point 11 (8/88) ======================= q-point: (-0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( -0.873 3.470 -4.024) 5.385 0.812 ( -5.122 7.522 -0.175) 9.102 1.061 ( -9.582 -4.709 -3.559) 11.254 1.125 ( -2.202 -1.889 -2.870) 4.081 1.183 ( 1.408 -3.452 1.017) 3.864 1.331 ( 1.726 0.473 -0.120) 1.794 1.351 ( 1.349 8.503 1.079) 8.677 1.581 ( -0.177 4.630 0.532) 4.664 1.665 ( 1.073 -1.236 2.819) 3.260 1.791 ( -2.186 2.565 0.212) 3.377 1.849 ( -3.005 -1.138 -4.111) 5.218 1.936 ( 1.316 0.164 6.860) 6.987 2.030 ( 3.604 -2.835 -0.931) 4.679 2.052 ( -1.934 -0.346 -3.622) 4.120 2.088 ( 2.375 -2.362 0.565) 3.397 2.185 ( 1.875 -6.497 1.212) 6.870 2.217 ( -3.134 -2.764 1.402) 4.408 2.370 ( 3.338 4.390 -1.296) 5.665 2.440 ( 2.476 2.962 -0.908) 3.966 2.488 ( 2.254 3.075 1.093) 3.966 2.566 ( -0.481 -1.186 -2.525) 2.831 2.613 ( -0.099 2.493 2.265) 3.370 2.766 ( 0.533 0.109 1.277) 1.388 2.841 ( 0.665 -0.611 1.008) 1.353 2.990 ( 3.272 0.114 -5.100) 6.060 3.045 ( -0.784 -2.252 7.266) 7.647 3.149 ( 0.619 1.152 2.015) 2.403 3.302 ( -0.528 -2.962 -3.134) 4.345 3.390 ( -1.475 3.292 2.279) 4.267 3.584 ( -1.320 0.655 -3.385) 3.691 3.722 ( -1.813 1.699 2.325) 3.403 3.870 ( -0.685 1.919 1.989) 2.847 4.045 ( 3.012 -2.704 -0.108) 4.049 4.082 ( -3.200 -2.939 -1.438) 4.577 4.189 ( -1.555 -1.931 -3.966) 4.677 4.306 ( 1.685 1.621 1.179) 2.619 6.880 ( -2.950 -2.463 -1.052) 3.985 10.213 ( -1.502 1.860 1.716) 2.942 10.465 ( -1.408 -1.920 1.817) 2.995 10.549 ( 2.509 1.144 -2.579) 3.775 10.608 ( 4.064 1.577 -0.797) 4.432 13.135 ( -0.632 -1.009 -0.330) 1.235 ======================= Grid point 12 (9/88) ======================= q-point: (-0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.537 ( -6.687 8.428 -6.912) 12.788 0.605 ( -6.748 13.032 -1.419) 14.744 0.815 ( -9.836 10.354 -7.966) 16.353 1.112 ( -1.143 -0.768 -0.991) 1.696 1.258 ( 0.158 -3.704 1.875) 4.154 1.269 ( 1.197 5.020 -0.630) 5.199 1.445 ( 5.977 -2.926 4.289) 7.917 1.560 ( 1.166 0.027 3.676) 3.857 1.723 ( -0.037 -1.419 2.587) 2.951 1.753 ( -1.895 -0.296 -1.007) 2.166 1.819 ( 0.686 0.206 0.401) 0.821 1.967 ( -0.365 -1.316 -1.522) 2.045 2.004 ( -3.921 -3.178 -2.333) 5.560 2.105 ( 1.804 -3.330 -0.307) 3.799 2.161 ( 2.179 -3.008 0.668) 3.774 2.203 ( -3.130 -1.497 3.680) 5.057 2.307 ( 2.775 -5.611 1.752) 6.500 2.337 ( 0.649 3.092 -4.220) 5.272 2.425 ( 4.257 7.120 -0.770) 8.332 2.470 ( -0.079 3.332 0.382) 3.355 2.581 ( 2.399 -0.637 -1.751) 3.038 2.656 ( 3.906 -1.034 2.814) 4.924 2.753 ( -4.146 -1.311 0.960) 4.453 2.855 ( 1.459 1.258 -0.588) 2.015 2.989 ( 0.242 -0.530 -2.183) 2.259 3.110 ( 2.551 1.092 2.498) 3.734 3.149 ( -1.122 2.738 3.603) 4.662 3.279 ( -1.856 2.916 -1.984) 3.985 3.358 ( 2.003 -0.191 -0.047) 2.013 3.550 ( -1.383 -0.617 -0.364) 1.557 3.686 ( -1.527 1.636 1.295) 2.586 3.911 ( 2.763 -0.190 4.081) 4.931 4.045 ( -1.490 -1.673 -0.794) 2.377 4.091 ( -0.328 -1.004 -2.489) 2.704 4.151 ( -3.049 -4.285 -4.204) 6.733 4.320 ( 0.535 1.328 0.547) 1.532 6.857 ( -2.687 -3.478 -2.399) 5.007 10.171 ( -2.307 2.612 1.354) 3.739 10.482 ( -1.078 -2.290 1.734) 3.068 10.545 ( 1.367 2.038 -1.699) 2.985 10.660 ( 4.547 1.621 2.165) 5.290 13.140 ( -0.384 -1.528 0.070) 1.577 ======================= Grid point 13 (10/88) ======================= q-point: (-0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.285 ( 0.000 12.963 0.000) 12.963 0.370 ( 0.000 17.142 0.000) 17.142 0.527 ( 0.000 21.815 0.000) 21.815 1.091 ( 0.000 1.906 0.000) 1.906 1.215 ( 0.000 3.838 0.000) 3.838 1.354 ( -0.000 -9.377 -0.000) 9.377 1.547 ( -0.000 -2.439 -0.000) 2.439 1.637 ( -0.000 -1.622 -0.000) 1.622 1.687 ( 0.000 4.274 0.000) 4.274 1.737 ( -0.000 -1.571 -0.000) 1.571 1.880 ( -0.000 -3.053 -0.000) 3.053 1.934 ( -0.000 -2.231 -0.000) 2.231 2.000 ( -0.000 -4.558 -0.000) 4.558 2.151 ( -0.000 -0.385 -0.000) 0.385 2.189 ( -0.000 -1.220 -0.000) 1.220 2.233 ( -0.000 -3.011 -0.000) 3.011 2.280 ( 0.000 3.536 0.000) 3.536 2.376 ( 0.000 2.733 0.000) 2.733 2.421 ( -0.000 -4.057 -0.000) 4.057 2.431 ( 0.000 3.896 0.000) 3.896 2.658 ( -0.000 -2.379 -0.000) 2.379 2.669 ( -0.000 -1.119 -0.000) 1.119 2.736 ( -0.000 -1.024 -0.000) 1.024 2.850 ( 0.000 2.625 0.000) 2.625 2.983 ( -0.000 -0.204 -0.000) 0.204 3.106 ( 0.000 2.814 0.000) 2.814 3.142 ( 0.000 2.054 0.000) 2.054 3.191 ( 0.000 5.314 0.000) 5.314 3.434 ( -0.000 -3.404 -0.000) 3.404 3.543 ( -0.000 -0.530 -0.000) 0.530 3.668 ( 0.000 1.106 0.000) 1.106 3.968 ( -0.000 -1.977 -0.000) 1.977 4.054 ( 0.000 1.346 0.000) 1.346 4.105 ( -0.000 -5.033 -0.000) 5.033 4.105 ( -0.000 -1.160 -0.000) 1.160 4.289 ( 0.000 3.372 0.000) 3.372 6.843 ( -0.000 -1.878 -0.000) 1.878 10.123 ( 0.000 2.893 0.000) 2.893 10.504 ( -0.000 -1.969 -0.000) 1.969 10.526 ( 0.000 1.955 0.000) 1.955 10.724 ( -0.000 -0.914 -0.000) 0.914 13.154 ( -0.000 -1.401 -0.000) 1.401 ======================= Grid point 16 (11/88) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.662 ( 3.223 -0.000 5.509) 6.383 0.874 ( 5.898 -0.000 4.022) 7.139 0.958 ( -3.738 0.000 -4.001) 5.476 1.141 ( -1.218 0.000 1.498) 1.931 1.200 ( -3.990 0.000 -3.920) 5.594 1.443 ( -3.479 0.000 -7.357) 8.138 1.481 ( 1.817 -0.000 6.889) 7.125 1.517 ( 5.809 -0.000 4.729) 7.491 1.673 ( 0.130 -0.000 -3.291) 3.294 1.766 ( 3.291 -0.000 -0.074) 3.292 1.893 ( 0.569 -0.000 5.032) 5.064 1.974 ( 3.567 -0.000 1.743) 3.969 1.975 ( -5.375 0.000 -0.444) 5.394 2.044 ( -0.052 0.000 -0.884) 0.885 2.097 ( -1.498 0.000 -7.740) 7.883 2.151 ( 0.460 -0.000 2.647) 2.686 2.200 ( -6.111 0.000 -1.729) 6.350 2.349 ( 0.294 -0.000 0.326) 0.439 2.428 ( 1.981 -0.000 2.429) 3.134 2.518 ( 2.298 -0.000 -2.801) 3.623 2.555 ( 3.323 -0.000 -1.197) 3.532 2.729 ( -1.927 0.000 3.554) 4.043 2.775 ( -0.596 0.000 4.260) 4.302 2.799 ( -0.400 0.000 4.440) 4.458 2.900 ( -0.385 0.000 1.623) 1.668 3.008 ( 0.072 -0.000 -3.552) 3.552 3.119 ( 1.701 -0.000 -4.279) 4.605 3.259 ( -0.759 0.000 2.305) 2.427 3.400 ( 0.401 -0.000 2.769) 2.798 3.653 ( 1.221 -0.000 -3.570) 3.773 3.732 ( 0.803 -0.000 1.939) 2.098 3.896 ( 4.733 -0.000 2.668) 5.433 4.000 ( -5.411 0.000 -1.216) 5.546 4.093 ( -4.241 0.000 -1.078) 4.376 4.216 ( -1.204 0.000 -3.644) 3.838 4.304 ( 2.090 -0.000 0.548) 2.161 6.906 ( -4.228 0.000 0.195) 4.232 10.238 ( 0.324 -0.000 1.430) 1.466 10.438 ( -1.730 0.000 2.423) 2.977 10.536 ( 3.957 -0.000 -3.751) 5.452 10.587 ( 5.159 -0.000 -5.790) 7.755 13.140 ( -0.734 0.000 -1.382) 1.565 ======================= Grid point 17 (12/88) ======================= q-point: (-0.57 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( 0.617 -0.149 -0.164) 0.656 0.886 ( -5.081 -3.018 0.502) 5.931 0.951 ( 0.935 0.638 0.369) 1.191 1.112 ( -4.844 -0.549 -2.663) 5.555 1.148 ( 0.450 -0.525 0.117) 0.702 1.349 ( -0.358 1.147 -2.306) 2.600 1.482 ( -1.021 2.501 4.800) 5.508 1.595 ( 0.371 0.977 -3.723) 3.867 1.740 ( 5.566 2.814 3.340) 7.075 1.782 ( 2.086 -2.900 -1.799) 4.000 1.857 ( -8.092 1.875 -4.156) 9.288 1.957 ( 2.601 0.487 3.026) 4.020 2.000 ( -1.771 2.385 0.323) 2.988 2.045 ( 0.669 -0.351 -0.518) 0.916 2.076 ( 2.338 -3.512 -1.048) 4.347 2.091 ( -1.307 -0.586 0.034) 1.432 2.161 ( -2.921 -1.278 2.056) 3.794 2.396 ( 2.257 -0.437 0.864) 2.456 2.446 ( 0.164 -0.945 -1.540) 1.814 2.538 ( 2.841 1.765 -0.083) 3.346 2.587 ( 2.207 0.669 -1.065) 2.540 2.693 ( -2.172 3.394 3.532) 5.359 2.798 ( 1.678 3.710 3.388) 5.297 2.836 ( 1.140 -0.008 1.809) 2.138 2.967 ( 0.553 -4.482 4.920) 6.679 2.985 ( 1.468 -0.553 -3.824) 4.133 3.134 ( 2.060 -2.284 -1.436) 3.394 3.262 ( -0.761 -0.084 0.616) 0.983 3.417 ( -1.214 -0.070 2.880) 3.126 3.608 ( -1.046 1.028 -5.342) 5.539 3.752 ( -1.008 0.900 2.957) 3.251 3.917 ( -2.456 2.238 0.559) 3.369 3.990 ( 3.552 -1.846 1.732) 4.362 4.024 ( -4.531 -2.244 -1.725) 5.342 4.169 ( -1.078 -0.271 -4.985) 5.107 4.335 ( 1.926 0.835 1.045) 2.345 6.844 ( -4.332 -0.896 -0.359) 4.438 10.247 ( -0.611 1.012 2.451) 2.721 10.431 ( -1.455 -0.995 1.026) 2.040 10.569 ( 4.446 0.574 -4.059) 6.048 10.623 ( 4.339 0.153 -3.186) 5.385 13.120 ( -0.891 -0.407 -1.054) 1.439 ======================= Grid point 18 (13/88) ======================= q-point: (-0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.659 ( -3.681 3.033 -5.536) 7.307 0.841 ( -4.019 6.943 4.970) 9.437 0.905 ( -2.913 0.881 -3.186) 4.405 1.034 ( -2.753 -2.949 -3.731) 5.495 1.176 ( 0.602 -2.684 0.408) 2.780 1.390 ( 3.734 -0.435 3.293) 4.998 1.473 ( 3.533 5.838 -0.242) 6.828 1.568 ( -3.450 0.261 1.994) 3.993 1.692 ( -4.043 1.292 -0.363) 4.260 1.753 ( 1.332 -0.966 -3.194) 3.593 1.835 ( 2.009 1.270 0.254) 2.390 1.954 ( -4.787 -1.747 -4.425) 6.749 1.970 ( -0.551 1.224 1.076) 1.721 2.027 ( 0.044 -1.075 -1.744) 2.049 2.152 ( 1.205 0.144 0.695) 1.398 2.158 ( 0.971 -2.377 6.228) 6.736 2.195 ( 3.829 -4.743 3.240) 6.903 2.384 ( -1.065 1.306 -3.855) 4.207 2.470 ( 0.919 -2.603 -1.367) 3.081 2.554 ( 4.270 3.935 -1.174) 5.924 2.601 ( 2.032 1.700 0.249) 2.661 2.663 ( -2.067 2.322 5.115) 5.985 2.773 ( -0.797 3.891 -0.295) 3.983 2.868 ( 1.596 0.124 0.121) 1.605 2.963 ( -1.028 -1.728 -1.076) 2.281 3.088 ( 2.788 -3.741 2.546) 5.315 3.203 ( 2.478 0.576 3.473) 4.305 3.247 ( 0.695 -1.838 -2.752) 3.382 3.398 ( -3.111 1.602 1.770) 3.922 3.548 ( -0.769 0.722 -3.178) 3.348 3.722 ( -2.395 1.614 1.759) 3.381 3.906 ( 0.676 0.124 1.542) 1.689 3.985 ( -2.674 -3.297 -0.997) 4.360 4.056 ( 1.523 -1.763 -0.008) 2.329 4.113 ( -1.910 -0.223 -4.250) 4.665 4.357 ( 1.478 1.620 0.976) 2.400 6.799 ( -2.951 -2.022 -0.677) 3.641 10.232 ( -0.871 2.555 1.438) 3.059 10.435 ( -0.927 -1.947 0.670) 2.258 10.587 ( 2.613 1.689 -2.468) 3.971 10.665 ( 2.960 -0.432 -0.557) 3.043 13.111 ( -0.565 -1.128 -0.435) 1.335 ======================= Grid point 19 (14/88) ======================= q-point: (-0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.521 ( 0.000 8.929 0.000) 8.929 0.701 ( 0.000 14.075 0.000) 14.075 0.827 ( 0.000 6.425 0.000) 6.425 1.061 ( -0.000 -6.169 -0.000) 6.169 1.211 ( -0.000 -2.891 -0.000) 2.891 1.375 ( 0.000 9.933 0.000) 9.933 1.501 ( -0.000 -0.806 -0.000) 0.806 1.551 ( -0.000 -3.780 -0.000) 3.780 1.688 ( -0.000 -3.452 -0.000) 3.452 1.798 ( 0.000 5.525 0.000) 5.525 1.812 ( -0.000 -3.369 -0.000) 3.369 1.886 ( -0.000 -2.068 -0.000) 2.068 1.961 ( 0.000 0.320 0.000) 0.320 2.056 ( -0.000 -5.737 -0.000) 5.737 2.162 ( -0.000 -1.118 -0.000) 1.118 2.218 ( 0.000 0.709 0.000) 0.709 2.290 ( -0.000 -4.616 -0.000) 4.616 2.332 ( 0.000 1.409 0.000) 1.409 2.482 ( -0.000 -0.081 -0.000) 0.081 2.536 ( 0.000 6.813 0.000) 6.813 2.629 ( 0.000 1.057 0.000) 1.057 2.640 ( -0.000 -1.254 -0.000) 1.254 2.731 ( 0.000 1.299 0.000) 1.299 2.878 ( 0.000 0.344 0.000) 0.344 2.969 ( -0.000 -1.487 -0.000) 1.487 3.154 ( -0.000 -1.786 -0.000) 1.786 3.176 ( 0.000 3.752 0.000) 3.752 3.315 ( 0.000 5.442 0.000) 5.442 3.340 ( -0.000 -5.131 -0.000) 5.131 3.530 ( -0.000 -0.455 -0.000) 0.455 3.696 ( 0.000 1.468 0.000) 1.468 3.928 ( -0.000 -1.802 -0.000) 1.802 4.005 ( -0.000 -4.093 -0.000) 4.093 4.074 ( 0.000 0.250 0.000) 0.250 4.078 ( -0.000 -0.951 -0.000) 0.951 4.351 ( 0.000 2.471 0.000) 2.471 6.795 ( -0.000 -2.355 -0.000) 2.355 10.195 ( 0.000 3.612 0.000) 3.612 10.454 ( -0.000 -2.503 -0.000) 2.503 10.574 ( 0.000 2.371 0.000) 2.371 10.700 ( -0.000 -1.256 -0.000) 1.256 13.120 ( -0.000 -1.630 -0.000) 1.630 ======================= Grid point 24 (15/88) ======================= q-point: ( 0.43 -0.57 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( -2.243 0.000 -6.126) 6.524 0.851 ( -1.914 0.000 8.022) 8.247 0.967 ( -1.323 0.000 -0.960) 1.634 1.024 ( -2.759 0.000 -1.587) 3.183 1.133 ( -0.659 0.000 -2.775) 2.852 1.385 ( 3.155 -0.000 2.956) 4.324 1.522 ( 1.785 -0.000 -1.264) 2.187 1.565 ( -1.781 0.000 2.251) 2.870 1.723 ( -5.817 0.000 -4.895) 7.602 1.731 ( 1.243 -0.000 -4.093) 4.278 1.867 ( 1.650 -0.000 1.049) 1.955 1.930 ( -5.160 0.000 -1.724) 5.441 1.998 ( -2.692 0.000 -0.424) 2.725 2.067 ( 2.109 -0.000 -1.097) 2.377 2.081 ( 4.844 -0.000 1.971) 5.230 2.121 ( 0.269 -0.000 6.589) 6.595 2.177 ( 3.198 -0.000 2.191) 3.877 2.399 ( -1.779 0.000 -3.992) 4.370 2.433 ( 1.281 -0.000 0.807) 1.514 2.591 ( 3.191 -0.000 -0.813) 3.293 2.612 ( 1.728 -0.000 -0.967) 1.980 2.697 ( -3.517 0.000 6.082) 7.025 2.855 ( 0.115 -0.000 -2.124) 2.127 2.887 ( 0.655 -0.000 5.108) 5.150 2.956 ( 0.138 -0.000 -3.413) 3.416 2.979 ( 2.058 -0.000 0.522) 2.124 3.173 ( 5.065 -0.000 1.286) 5.226 3.262 ( -0.528 0.000 0.547) 0.760 3.405 ( -2.785 0.000 2.073) 3.472 3.563 ( -0.488 0.000 -4.082) 4.111 3.742 ( -3.034 0.000 2.040) 3.656 3.927 ( 0.677 -0.000 0.937) 1.156 3.928 ( -3.639 0.000 -1.575) 3.965 4.037 ( 1.815 -0.000 1.125) 2.135 4.113 ( -1.308 0.000 -4.363) 4.555 4.375 ( 1.601 -0.000 0.984) 1.880 6.777 ( -3.110 0.000 -0.337) 3.128 10.261 ( -0.587 0.000 1.825) 1.918 10.413 ( -0.809 0.000 0.163) 0.826 10.606 ( 3.196 -0.000 -2.752) 4.218 10.658 ( 2.641 -0.000 -1.543) 3.059 13.098 ( -0.644 0.000 -0.659) 0.921 ======================= Grid point 26 (16/88) ======================= q-point: (-0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.624 ( 0.000 1.042 0.000) 1.042 0.875 ( 0.000 0.220 0.000) 0.220 0.928 ( 0.000 4.962 0.000) 4.962 0.973 ( 0.000 1.680 0.000) 1.680 1.140 ( -0.000 -4.404 -0.000) 4.404 1.437 ( -0.000 -0.561 -0.000) 0.561 1.515 ( -0.000 -0.337 -0.000) 0.337 1.589 ( 0.000 3.595 0.000) 3.595 1.636 ( -0.000 -0.977 -0.000) 0.977 1.746 ( -0.000 -2.297 -0.000) 2.297 1.862 ( -0.000 -0.216 -0.000) 0.216 1.869 ( 0.000 1.468 0.000) 1.468 1.973 ( 0.000 0.271 0.000) 0.271 2.044 ( 0.000 4.276 0.000) 4.276 2.145 ( -0.000 -0.449 -0.000) 0.449 2.178 ( -0.000 -5.335 -0.000) 5.335 2.235 ( 0.000 0.158 0.000) 0.158 2.350 ( 0.000 0.570 0.000) 0.570 2.453 ( -0.000 -1.436 -0.000) 1.436 2.614 ( 0.000 0.952 0.000) 0.952 2.624 ( -0.000 -0.287 -0.000) 0.287 2.683 ( 0.000 2.428 0.000) 2.428 2.815 ( 0.000 3.953 0.000) 3.953 2.896 ( 0.000 3.531 0.000) 3.531 2.928 ( -0.000 -1.782 -0.000) 1.782 3.057 ( -0.000 -6.897 -0.000) 6.897 3.246 ( 0.000 2.322 0.000) 2.322 3.250 ( -0.000 -2.665 -0.000) 2.665 3.379 ( 0.000 0.651 0.000) 0.651 3.538 ( 0.000 0.909 0.000) 0.909 3.720 ( 0.000 0.619 0.000) 0.619 3.897 ( -0.000 -0.933 -0.000) 0.933 3.947 ( -0.000 -1.362 -0.000) 1.362 4.057 ( -0.000 -0.512 -0.000) 0.512 4.081 ( 0.000 0.109 0.000) 0.109 4.388 ( 0.000 0.955 0.000) 0.955 6.757 ( -0.000 -1.053 -0.000) 1.053 10.254 ( 0.000 1.632 0.000) 1.632 10.413 ( -0.000 -1.155 -0.000) 1.155 10.614 ( 0.000 1.174 0.000) 1.174 10.677 ( -0.000 -0.747 -0.000) 0.747 13.094 ( -0.000 -0.680 -0.000) 0.680 ======================= Grid point 51 (17/88) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.369 ( -3.471 0.000 16.715) 17.072 0.385 ( 3.225 -0.000 17.760) 18.051 0.645 ( 5.830 -0.000 28.752) 29.337 1.018 ( 4.997 -0.000 -2.578) 5.623 1.193 ( -2.126 0.000 0.088) 2.128 1.433 ( -5.555 0.000 -5.480) 7.803 1.484 ( -2.338 0.000 -7.268) 7.635 1.639 ( -3.760 0.000 -2.561) 4.550 1.655 ( -2.649 0.000 0.790) 2.764 1.763 ( -1.025 0.000 -6.638) 6.717 1.779 ( 0.497 -0.000 -0.707) 0.864 1.983 ( 1.673 -0.000 -9.146) 9.298 2.080 ( 6.417 -0.000 4.234) 7.688 2.133 ( -0.280 0.000 3.287) 3.299 2.191 ( -4.050 0.000 -1.348) 4.268 2.246 ( 3.030 -0.000 3.437) 4.582 2.342 ( 1.917 -0.000 3.611) 4.088 2.350 ( -2.164 0.000 -1.509) 2.638 2.353 ( -9.645 0.000 3.616) 10.301 2.415 ( -0.412 0.000 0.287) 0.502 2.539 ( -2.703 0.000 0.622) 2.774 2.745 ( 3.162 -0.000 -2.289) 3.903 2.760 ( 6.743 -0.000 0.128) 6.745 2.823 ( -1.574 0.000 2.789) 3.203 3.004 ( -0.296 0.000 0.629) 0.696 3.043 ( -0.543 0.000 -0.828) 0.990 3.090 ( -0.045 0.000 -1.963) 1.964 3.265 ( 4.199 -0.000 -1.166) 4.357 3.300 ( -0.866 0.000 2.385) 2.538 3.614 ( -8.088 0.000 -2.879) 8.585 3.716 ( -7.007 0.000 1.840) 7.245 3.888 ( -4.742 0.000 -4.922) 6.835 4.075 ( -0.837 0.000 0.849) 1.192 4.112 ( 3.603 -0.000 4.284) 5.597 4.217 ( -0.357 0.000 -0.429) 0.558 4.261 ( 16.442 -0.000 -1.405) 16.501 7.034 ( 7.800 -0.000 0.479) 7.815 10.162 ( -11.735 0.000 0.311) 11.740 10.383 ( 2.569 -0.000 -2.500) 3.584 10.495 ( 1.221 -0.000 -0.753) 1.435 10.540 ( -3.363 0.000 0.796) 3.456 13.159 ( -0.103 0.000 -0.910) 0.916 ======================= Grid point 52 (18/88) ======================= q-point: ( 0.14 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.508 ( 1.983 -6.378 12.256) 13.958 0.606 ( 4.289 -5.355 15.446) 16.901 1.022 ( 12.456 0.488 15.747) 20.084 1.096 ( 6.241 -3.171 4.362) 8.248 1.162 ( -1.839 -0.753 -1.104) 2.273 1.293 ( -4.934 0.506 -4.291) 6.558 1.371 ( -3.789 0.450 -7.754) 8.642 1.562 ( -0.441 4.904 -0.604) 4.960 1.660 ( 0.801 -3.159 -3.530) 4.804 1.717 ( -1.463 -0.867 -1.125) 2.039 1.791 ( 2.862 1.418 -2.273) 3.921 1.919 ( -0.948 0.352 -6.780) 6.855 2.114 ( -1.035 3.107 0.801) 3.371 2.147 ( -0.205 -0.916 0.654) 1.144 2.186 ( -0.701 -2.304 3.072) 3.904 2.263 ( -3.491 2.103 -0.877) 4.169 2.306 ( -4.299 -1.003 2.574) 5.110 2.362 ( 2.903 -2.465 1.364) 4.046 2.375 ( 1.022 1.254 1.266) 2.054 2.424 ( -1.379 0.855 0.406) 1.672 2.505 ( -0.457 -1.980 -0.442) 2.080 2.740 ( -1.292 2.629 1.084) 3.124 2.770 ( 0.026 2.521 -0.841) 2.658 2.843 ( 1.673 -0.621 0.680) 1.910 2.987 ( -0.094 2.627 -2.911) 3.922 3.029 ( -0.445 -1.619 -0.307) 1.707 3.107 ( -1.646 -5.550 0.337) 5.799 3.266 ( 1.353 3.069 2.643) 4.271 3.357 ( 1.336 -2.833 0.697) 3.208 3.534 ( 0.061 -0.507 -2.077) 2.138 3.692 ( -1.034 -0.210 2.930) 3.114 3.803 ( -2.243 -0.667 -3.117) 3.898 4.087 ( 0.761 0.266 1.045) 1.320 4.166 ( 0.910 1.216 2.056) 2.556 4.224 ( 0.833 -1.307 0.076) 1.552 4.333 ( 1.608 3.027 -4.559) 5.704 7.038 ( -0.582 4.978 0.514) 5.038 10.118 ( 1.156 -1.088 0.997) 1.874 10.412 ( 2.129 -1.124 -4.748) 5.324 10.508 ( -0.300 -1.982 -0.339) 2.033 10.529 ( -1.754 -3.892 1.138) 4.418 13.150 ( 0.084 0.293 -0.913) 0.963 ======================= Grid point 53 (19/88) ======================= q-point: ( 0.29 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.682 ( 1.446 -5.708 6.020) 8.421 0.821 ( 2.692 -4.839 11.912) 13.136 1.120 ( 0.245 -3.843 0.058) 3.852 1.138 ( 1.753 1.429 -3.162) 3.888 1.195 ( -0.478 2.164 -2.422) 3.283 1.302 ( -0.059 -1.953 -1.566) 2.504 1.348 ( 6.170 3.574 3.103) 7.776 1.560 ( 2.216 0.011 4.483) 5.001 1.639 ( -0.729 0.259 -5.020) 5.080 1.738 ( 0.049 -4.518 1.188) 4.672 1.807 ( 4.354 2.600 -0.824) 5.138 1.875 ( 0.856 -0.783 -1.657) 2.023 2.074 ( -0.246 3.507 0.233) 3.523 2.144 ( -3.568 0.717 0.268) 3.649 2.179 ( -2.243 -1.863 -0.295) 2.931 2.201 ( -3.057 1.988 0.469) 3.677 2.230 ( -5.013 -3.217 -0.514) 5.979 2.342 ( 0.923 6.065 0.114) 6.136 2.410 ( -1.273 -0.246 0.810) 1.529 2.440 ( 1.015 -1.335 0.951) 1.928 2.520 ( 0.188 -2.768 -1.530) 3.168 2.705 ( 0.204 4.038 3.284) 5.209 2.752 ( 0.530 1.954 -1.988) 2.837 2.842 ( -0.212 1.777 -1.448) 2.302 2.935 ( -1.142 0.080 -3.512) 3.694 3.050 ( 0.303 -2.265 0.959) 2.479 3.135 ( -1.203 -1.755 1.930) 2.872 3.288 ( 0.043 -1.977 0.919) 2.181 3.402 ( 1.532 0.291 2.513) 2.957 3.553 ( 2.621 -1.179 -2.996) 4.152 3.713 ( 0.617 -0.242 2.260) 2.355 3.807 ( 2.724 -1.513 0.499) 3.156 4.082 ( -1.984 1.026 -0.682) 2.335 4.157 ( -0.053 2.240 0.154) 2.246 4.253 ( 0.495 -1.414 -0.085) 1.501 4.263 ( -2.067 1.558 -2.368) 3.508 6.981 ( -1.199 3.720 0.938) 4.019 10.168 ( 2.871 -0.673 0.426) 2.979 10.407 ( 2.143 0.290 -4.831) 5.293 10.521 ( -1.273 -2.974 -0.709) 3.311 10.568 ( -1.656 -4.992 2.665) 5.897 13.145 ( 0.100 -0.052 -0.492) 0.505 ======================= Grid point 54 (20/88) ======================= q-point: ( 0.43 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( -1.883 1.317 -0.331) 2.322 0.938 ( -1.148 -0.039 6.900) 6.995 1.129 ( 0.367 -0.668 -3.468) 3.551 1.156 ( 0.812 0.052 -1.247) 1.489 1.201 ( -0.297 -8.547 1.558) 8.693 1.270 ( 0.644 3.603 -5.149) 6.317 1.393 ( 1.898 6.605 3.685) 7.798 1.537 ( -2.694 -1.361 -2.304) 3.797 1.638 ( 2.081 -0.052 0.936) 2.282 1.821 ( 1.165 -4.978 1.426) 5.308 1.832 ( 3.904 2.688 1.195) 4.888 1.951 ( 4.053 -0.827 -0.660) 4.189 2.011 ( -4.050 4.773 0.582) 6.287 2.066 ( -3.554 0.697 0.266) 3.631 2.115 ( -2.385 -0.673 -1.112) 2.716 2.208 ( -1.505 -6.874 -0.052) 7.037 2.232 ( 0.155 0.412 1.857) 1.909 2.304 ( 0.784 4.005 0.654) 4.133 2.387 ( -0.500 1.982 -0.430) 2.089 2.442 ( 0.416 0.122 0.187) 0.473 2.551 ( 0.469 -2.553 -2.565) 3.649 2.665 ( -2.358 1.726 -2.251) 3.689 2.745 ( 2.159 3.189 3.741) 5.369 2.815 ( 1.905 1.650 -3.562) 4.364 2.899 ( -1.046 0.053 -0.713) 1.267 3.102 ( 1.531 -2.424 2.384) 3.729 3.139 ( -0.674 0.971 2.274) 2.563 3.307 ( -0.701 -2.341 -1.281) 2.759 3.425 ( 0.504 2.531 2.270) 3.437 3.573 ( 0.860 -1.602 -2.369) 2.986 3.741 ( 0.668 0.070 2.075) 2.181 3.906 ( 5.353 -2.610 1.756) 6.209 3.987 ( -4.859 3.458 -1.381) 6.121 4.141 ( -0.343 0.096 -0.747) 0.827 4.220 ( -2.094 -1.228 -1.720) 2.975 4.270 ( 0.686 -0.301 0.149) 0.764 6.943 ( -0.979 1.564 0.530) 1.920 10.213 ( 2.235 0.474 0.622) 2.367 10.409 ( 2.789 -0.044 -3.677) 4.615 10.520 ( -1.632 -2.695 -1.358) 3.431 10.614 ( -2.373 -4.140 4.229) 6.376 13.147 ( -0.087 -0.739 0.057) 0.746 ======================= Grid point 55 (21/88) ======================= q-point: (-0.43 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.635 ( -3.255 4.991 -1.566) 6.160 0.880 ( -7.504 6.431 4.743) 10.962 1.058 ( -3.393 2.616 -7.032) 8.234 1.179 ( -4.584 -0.479 -5.396) 7.096 1.196 ( 3.295 -0.401 0.277) 3.331 1.288 ( -3.626 1.320 2.359) 4.523 1.348 ( 1.930 -2.844 2.264) 4.116 1.528 ( 2.343 3.780 2.544) 5.124 1.710 ( 2.579 -3.545 1.336) 4.583 1.809 ( -2.033 2.419 0.427) 3.189 1.844 ( -1.540 0.977 -2.494) 3.090 1.984 ( 2.838 -1.682 -1.642) 3.685 2.021 ( 0.957 -4.469 -2.717) 5.317 2.031 ( -1.022 -0.578 4.934) 5.072 2.117 ( 1.711 -1.099 3.196) 3.788 2.231 ( 2.425 4.943 1.041) 5.604 2.275 ( -1.646 -8.559 0.675) 8.742 2.297 ( 0.057 0.795 1.664) 1.845 2.331 ( 0.275 3.635 -4.033) 5.437 2.471 ( 0.644 0.700 1.591) 1.853 2.527 ( -0.575 -1.053 -5.253) 5.389 2.625 ( -0.847 0.444 0.258) 0.990 2.777 ( 0.841 3.025 3.379) 4.613 2.801 ( 4.315 0.660 -5.136) 6.740 2.906 ( 0.662 -1.074 0.955) 1.582 3.131 ( -0.233 1.934 1.688) 2.578 3.172 ( 1.260 -0.979 4.631) 4.899 3.292 ( -0.933 -0.792 -3.542) 3.748 3.383 ( -1.971 4.356 -0.751) 4.840 3.585 ( -0.513 -1.614 0.859) 1.899 3.761 ( -0.245 0.916 2.704) 2.865 3.888 ( -1.752 2.841 1.115) 3.519 4.021 ( 3.635 -3.298 -0.233) 4.913 4.122 ( -1.934 -0.825 -1.632) 2.662 4.188 ( -1.877 -1.943 -3.397) 4.340 4.289 ( 1.105 -0.065 1.209) 1.639 6.923 ( -1.469 -0.456 0.063) 1.539 10.232 ( 0.363 0.360 0.806) 0.954 10.435 ( 3.888 0.673 -2.102) 4.471 10.510 ( -0.835 -1.436 -2.017) 2.613 10.642 ( -3.101 -2.503 4.759) 6.207 13.156 ( -0.367 -1.245 0.321) 1.337 ======================= Grid point 56 (22/88) ======================= q-point: (-0.29 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.499 ( -6.691 7.088 2.672) 10.107 0.649 ( -15.117 8.052 -0.115) 17.128 0.877 ( -13.621 6.259 0.837) 15.014 1.018 ( -0.269 6.333 -5.190) 8.192 1.231 ( 0.385 2.224 1.266) 2.588 1.326 ( 4.539 -4.520 3.313) 7.212 1.454 ( 3.600 -3.427 1.964) 5.344 1.581 ( 3.222 0.185 4.847) 5.823 1.746 ( -0.778 -1.680 -3.453) 3.918 1.779 ( -0.774 0.585 -0.801) 1.258 1.825 ( -0.110 -1.861 1.832) 2.613 1.964 ( -2.238 -1.812 -5.087) 5.846 2.053 ( 2.731 -0.276 -4.274) 5.079 2.077 ( -0.628 -3.329 2.425) 4.167 2.217 ( 5.403 5.406 -0.312) 7.649 2.222 ( -0.392 -1.297 4.679) 4.872 2.257 ( 0.818 2.444 -1.144) 2.820 2.356 ( 0.768 -2.406 5.143) 5.730 2.358 ( -0.080 -8.174 0.994) 8.234 2.447 ( -1.039 1.058 -0.960) 1.767 2.512 ( 2.210 -0.831 -4.483) 5.067 2.624 ( 1.668 1.962 1.967) 3.240 2.754 ( 2.412 4.240 -1.905) 5.237 2.845 ( 0.252 -1.871 -1.033) 2.152 2.937 ( 1.836 -1.442 -0.442) 2.376 3.116 ( -0.792 2.495 1.440) 2.988 3.175 ( -2.083 4.215 -0.252) 4.709 3.269 ( -0.787 -0.610 -1.406) 1.723 3.302 ( -0.718 2.671 -0.792) 2.877 3.617 ( 0.274 -1.685 4.781) 5.076 3.740 ( -2.823 1.013 2.646) 4.000 3.912 ( 4.127 1.368 4.344) 6.146 4.056 ( -1.882 -0.862 -1.808) 2.749 4.083 ( -1.188 -0.881 -3.006) 3.350 4.158 ( -0.855 -2.380 -4.459) 5.126 4.310 ( -0.116 -0.404 -0.339) 0.541 6.904 ( -2.475 -1.378 0.014) 2.833 10.236 ( -1.844 -2.323 1.203) 3.200 10.470 ( 3.958 1.937 -1.260) 4.583 10.499 ( 1.156 0.490 -2.642) 2.926 10.643 ( -2.788 0.083 3.598) 4.553 13.165 ( -0.522 -1.203 0.082) 1.314 ======================= Grid point 57 (23/88) ======================= q-point: (-0.14 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.344 ( -12.383 5.998 6.577) 15.250 0.366 ( -8.566 4.558 12.172) 15.566 0.616 ( -14.023 11.866 17.949) 25.683 0.982 ( 4.802 2.192 -4.856) 7.172 1.219 ( -0.864 1.174 0.966) 1.749 1.451 ( 1.393 -5.550 0.239) 5.727 1.526 ( 1.833 -1.067 -2.690) 3.426 1.661 ( 1.399 0.961 4.854) 5.142 1.712 ( -1.162 0.659 -3.853) 4.078 1.757 ( -1.926 -3.910 0.401) 4.377 1.868 ( -4.222 -0.747 -10.082) 10.956 1.908 ( 5.003 -4.913 1.163) 7.108 2.033 ( 3.053 2.989 -4.793) 6.421 2.115 ( -1.686 -2.985 1.572) 3.772 2.213 ( 3.396 4.619 0.278) 5.740 2.251 ( 0.176 1.798 0.591) 1.901 2.280 ( 1.009 -0.070 4.063) 4.187 2.379 ( -3.910 -3.245 -0.543) 5.110 2.405 ( -1.532 -1.667 1.857) 2.929 2.495 ( 0.196 -5.388 1.509) 5.598 2.573 ( 6.090 -0.817 1.337) 6.288 2.631 ( -0.344 3.367 -3.651) 4.978 2.741 ( 3.068 3.639 -0.744) 4.818 2.803 ( -1.922 -0.109 -0.815) 2.091 2.998 ( 1.309 -3.730 -0.039) 3.954 3.052 ( -1.566 2.246 -1.456) 3.101 3.116 ( 1.367 5.580 0.583) 5.774 3.221 ( -1.935 -0.021 0.397) 1.976 3.308 ( 1.849 2.101 0.506) 2.844 3.678 ( -1.174 -0.616 1.708) 2.163 3.762 ( 0.898 -5.510 6.527) 8.589 3.992 ( -3.170 -1.314 -3.005) 4.561 4.019 ( 6.866 3.603 3.955) 8.704 4.041 ( 0.591 2.438 -0.121) 2.511 4.133 ( -2.564 -2.313 -5.340) 6.359 4.263 ( -3.563 1.498 -1.822) 4.273 6.898 ( -0.092 -1.513 4.183) 4.449 10.251 ( -4.887 -8.236 0.535) 9.591 10.471 ( 1.097 3.571 -5.908) 6.990 10.490 ( 3.029 3.548 -2.017) 5.082 10.606 ( -2.639 3.142 0.683) 4.160 13.166 ( -0.437 -0.648 -0.496) 0.926 ======================= Grid point 59 (24/88) ======================= q-point: ( 0.14 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.592 ( 2.578 -0.000 10.206) 10.526 0.766 ( 4.783 -0.000 13.602) 14.418 1.058 ( -3.672 0.000 -1.552) 3.986 1.162 ( 0.745 -0.000 -2.242) 2.363 1.253 ( -2.593 0.000 -8.216) 8.616 1.268 ( 4.792 -0.000 3.544) 5.960 1.369 ( 9.269 -0.000 8.447) 12.541 1.598 ( -0.208 0.000 -2.916) 2.923 1.627 ( 3.767 -0.000 -1.188) 3.950 1.679 ( -2.073 0.000 0.772) 2.212 1.840 ( 4.382 -0.000 -0.655) 4.431 1.871 ( 0.518 -0.000 -3.213) 3.254 2.094 ( -3.546 0.000 -1.121) 3.719 2.126 ( 0.342 -0.000 0.607) 0.697 2.183 ( -4.631 0.000 -1.355) 4.825 2.206 ( -7.924 0.000 0.341) 7.931 2.229 ( 0.429 -0.000 3.020) 3.051 2.398 ( 0.418 -0.000 2.604) 2.637 2.407 ( 0.955 -0.000 0.356) 1.019 2.457 ( 1.289 -0.000 -2.135) 2.494 2.465 ( -0.597 0.000 -0.879) 1.062 2.762 ( -0.288 0.000 4.155) 4.165 2.781 ( 2.129 -0.000 -2.877) 3.579 2.858 ( -0.700 0.000 2.033) 2.150 2.990 ( -3.767 0.000 -2.073) 4.299 3.014 ( -1.161 0.000 0.290) 1.197 3.027 ( 1.743 -0.000 -1.373) 2.219 3.303 ( -1.091 0.000 2.224) 2.477 3.389 ( 2.457 -0.000 3.198) 4.033 3.543 ( 3.455 -0.000 -3.637) 5.017 3.712 ( 0.715 -0.000 2.785) 2.875 3.789 ( 2.230 -0.000 0.556) 2.299 4.089 ( -1.065 0.000 -0.654) 1.250 4.181 ( -1.584 0.000 0.518) 1.666 4.237 ( 2.079 -0.000 0.067) 2.080 4.288 ( -3.437 0.000 -4.970) 6.043 7.027 ( -3.355 0.000 0.404) 3.379 10.161 ( 3.836 -0.000 0.590) 3.881 10.411 ( 2.658 -0.000 -5.415) 6.032 10.485 ( -0.741 0.000 -1.724) 1.876 10.505 ( -0.460 0.000 3.267) 3.299 13.144 ( -0.045 0.000 -1.021) 1.022 ======================= Grid point 60 (25/88) ======================= q-point: ( 0.29 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( 0.945 -1.850 3.769) 4.304 0.916 ( 2.102 -0.595 9.799) 10.040 1.014 ( -3.215 -5.479 -0.256) 6.358 1.153 ( 0.201 0.524 -0.797) 0.974 1.167 ( -0.949 0.111 -5.601) 5.682 1.357 ( 1.357 4.993 -2.987) 5.974 1.459 ( 6.521 -2.924 3.092) 7.787 1.553 ( -1.597 3.452 -3.222) 4.985 1.660 ( 0.644 1.557 2.478) 2.997 1.719 ( 1.979 -3.498 0.577) 4.060 1.884 ( 3.289 1.371 0.034) 3.564 1.941 ( 6.297 0.020 3.147) 7.039 2.050 ( -3.005 -4.073 -2.790) 5.779 2.063 ( -6.959 0.457 -2.617) 7.449 2.099 ( -6.006 -0.807 0.068) 6.060 2.148 ( 0.907 3.763 2.450) 4.581 2.253 ( -0.862 1.073 2.045) 2.465 2.360 ( -1.588 0.039 -0.917) 1.835 2.421 ( 0.233 -0.333 -0.463) 0.616 2.443 ( 1.350 1.405 -1.037) 2.207 2.499 ( 2.706 -1.901 -1.558) 3.656 2.754 ( -0.063 5.912 -1.755) 6.167 2.799 ( 1.214 1.171 4.624) 4.922 2.859 ( -1.166 1.398 2.499) 3.092 2.898 ( -0.194 1.703 -3.575) 3.964 3.046 ( 0.145 -2.929 2.228) 3.683 3.068 ( -0.578 -6.570 -0.540) 6.618 3.295 ( -0.782 1.263 1.653) 2.222 3.446 ( 1.062 -0.299 3.775) 3.933 3.557 ( 2.211 -0.035 -4.746) 5.236 3.746 ( 1.185 0.284 2.583) 2.856 3.866 ( 4.940 -1.113 2.422) 5.613 4.040 ( -3.791 1.284 -1.245) 4.192 4.137 ( -3.248 -0.069 -1.455) 3.559 4.201 ( -3.178 -0.570 -4.028) 5.162 4.273 ( 2.412 0.316 0.450) 2.474 6.971 ( -3.634 0.864 0.527) 3.772 10.226 ( 3.524 0.509 1.792) 3.986 10.404 ( 2.323 -0.063 -5.250) 5.741 10.468 ( -0.292 -1.837 -3.072) 3.591 10.547 ( 0.292 -1.834 4.092) 4.493 13.136 ( -0.356 -0.295 -0.622) 0.775 ======================= Grid point 61 (26/88) ======================= q-point: (-0.57 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.691 ( -1.754 0.545 -2.818) 3.364 0.978 ( -2.513 2.386 6.892) 7.714 1.045 ( -2.855 -6.691 -0.244) 7.278 1.104 ( -2.937 1.299 -5.121) 6.045 1.169 ( 1.210 -2.226 1.420) 2.904 1.314 ( 1.823 0.913 0.579) 2.120 1.422 ( -2.479 6.475 -4.277) 8.147 1.601 ( 4.465 0.848 3.474) 5.720 1.676 ( 2.088 1.608 0.064) 2.637 1.797 ( 0.240 -3.523 3.216) 4.776 1.892 ( -7.840 2.121 -5.388) 9.746 1.926 ( 3.620 -0.377 -0.501) 3.673 1.995 ( 0.473 -0.539 -2.133) 2.250 2.041 ( -0.229 0.710 0.594) 0.954 2.102 ( -2.212 -0.610 4.772) 5.295 2.112 ( 0.330 -3.727 0.458) 3.770 2.254 ( -0.758 -1.561 2.122) 2.741 2.357 ( 1.146 2.255 -1.118) 2.765 2.410 ( 1.545 2.209 -2.544) 3.706 2.466 ( 1.635 -0.562 -0.501) 1.800 2.533 ( 1.719 0.620 -1.382) 2.291 2.669 ( 0.423 5.780 -0.416) 5.811 2.825 ( -0.612 2.651 4.739) 5.464 2.838 ( 1.772 1.502 -2.356) 3.308 2.891 ( 1.101 -0.050 -0.484) 1.203 3.116 ( 2.652 -3.956 -0.915) 4.850 3.121 ( -1.842 -4.764 5.061) 7.191 3.278 ( -1.161 0.798 0.044) 1.410 3.459 ( -0.378 2.394 -0.957) 2.606 3.551 ( -0.318 -1.376 -0.463) 1.486 3.779 ( 1.063 0.693 2.738) 3.017 3.947 ( -3.622 2.490 -0.068) 4.396 3.968 ( 4.054 -1.236 1.417) 4.469 4.087 ( -3.483 -2.218 -1.923) 4.555 4.144 ( -2.314 -1.839 -3.806) 4.819 4.305 ( 2.228 1.088 0.832) 2.615 6.915 ( -3.833 -0.255 0.354) 3.858 10.262 ( 0.871 1.967 1.459) 2.599 10.422 ( 2.990 -1.607 -2.582) 4.265 10.469 ( 1.207 -1.863 -3.680) 4.298 10.602 ( 0.381 -1.351 4.373) 4.593 13.132 ( -0.662 -0.924 -0.016) 1.137 ======================= Grid point 62 (27/88) ======================= q-point: (-0.43 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.620 ( -2.864 3.030 -1.915) 4.588 0.829 ( -10.652 9.050 -2.443) 14.190 0.990 ( -5.133 3.635 0.994) 6.368 1.067 ( -1.950 -3.403 -0.466) 3.950 1.232 ( -0.279 -3.284 2.940) 4.417 1.331 ( 2.776 6.343 -1.865) 7.171 1.393 ( 4.301 -1.664 4.084) 6.160 1.622 ( -0.059 3.177 2.556) 4.078 1.705 ( 1.509 -2.367 -2.338) 3.653 1.753 ( -3.991 -1.978 -2.116) 4.932 1.817 ( -1.078 1.579 1.565) 2.471 1.942 ( -2.287 -0.834 -5.016) 5.575 2.003 ( 1.148 -3.688 0.392) 3.882 2.036 ( -0.048 0.075 1.038) 1.042 2.148 ( 0.345 -2.693 3.230) 4.220 2.218 ( 3.459 -5.068 1.702) 6.367 2.285 ( -0.359 -2.161 3.533) 4.157 2.327 ( 0.575 3.340 -0.352) 3.408 2.393 ( 4.079 5.468 -2.967) 7.439 2.444 ( -0.330 -0.585 -4.489) 4.539 2.538 ( 2.313 2.770 -0.625) 3.663 2.655 ( 2.208 2.301 0.841) 3.298 2.818 ( -0.644 0.092 -0.727) 0.976 2.829 ( 0.756 2.502 0.465) 2.654 2.913 ( 1.596 -0.684 -0.818) 1.919 3.155 ( 0.014 -1.018 2.260) 2.479 3.215 ( 2.573 -3.311 2.614) 4.941 3.234 ( -2.592 1.278 -1.547) 3.278 3.384 ( -1.085 4.463 -3.773) 5.944 3.574 ( -1.150 -2.311 3.835) 4.623 3.774 ( -2.682 1.935 2.030) 3.881 3.920 ( 1.168 -0.275 2.240) 2.542 4.033 ( 1.971 -1.684 -1.041) 2.794 4.042 ( -2.991 -1.864 -1.953) 4.029 4.111 ( -2.023 -2.017 -2.478) 3.782 4.327 ( 1.548 1.592 0.556) 2.289 6.870 ( -3.780 -1.638 0.383) 4.137 10.241 ( -1.399 1.861 0.450) 2.371 10.462 ( 0.312 -3.236 -2.252) 3.955 10.494 ( 4.153 0.905 -1.090) 4.388 10.649 ( 1.055 0.114 3.462) 3.621 13.135 ( -0.740 -1.405 0.326) 1.621 ======================= Grid point 63 (28/88) ======================= q-point: (-0.29 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.504 ( -6.376 7.820 4.469) 11.036 0.561 ( -4.501 11.580 0.949) 12.460 0.886 ( -6.148 9.268 10.835) 15.527 1.044 ( 1.441 2.352 -3.757) 4.661 1.256 ( -0.648 0.259 -0.263) 0.746 1.318 ( -0.495 -1.430 2.507) 2.928 1.492 ( 1.939 -1.897 -0.666) 2.793 1.641 ( -1.044 -3.761 1.843) 4.317 1.697 ( 0.191 -1.070 -2.250) 2.499 1.767 ( -0.500 3.234 2.076) 3.875 1.811 ( 3.078 -3.893 -1.778) 5.272 1.840 ( -3.516 -0.218 -7.327) 8.130 2.034 ( -1.969 -1.937 2.903) 4.007 2.088 ( 2.924 -1.573 -1.220) 3.538 2.188 ( -1.597 -3.802 0.551) 4.161 2.268 ( -3.406 -4.703 1.280) 5.946 2.319 ( 2.469 2.523 2.724) 4.459 2.348 ( -1.449 -2.035 -0.587) 2.566 2.362 ( 5.583 4.711 -0.766) 7.345 2.477 ( 3.710 0.410 0.539) 3.771 2.536 ( 4.049 1.158 -2.555) 4.926 2.679 ( 0.612 0.746 -0.740) 1.216 2.776 ( -5.044 -0.993 0.710) 5.190 2.821 ( 3.542 2.664 -2.828) 5.257 2.942 ( 1.771 -1.748 -1.102) 2.722 3.133 ( -2.059 4.411 -0.480) 4.892 3.189 ( -0.662 -0.106 -0.004) 0.671 3.269 ( -0.450 3.971 1.674) 4.333 3.325 ( 2.811 0.045 -2.528) 3.781 3.617 ( -2.353 -4.039 4.007) 6.157 3.729 ( -2.788 1.017 2.403) 3.819 3.953 ( -1.532 -1.990 -0.876) 2.660 4.029 ( 0.811 -3.131 -1.870) 3.737 4.063 ( 1.652 0.729 1.262) 2.203 4.093 ( -0.021 -0.988 0.392) 1.063 4.315 ( -0.077 2.882 -0.807) 2.994 6.852 ( -2.044 -2.568 1.991) 3.839 10.197 ( -2.884 1.098 0.720) 3.169 10.469 ( -0.203 -2.208 -3.489) 4.134 10.532 ( 2.530 2.035 0.653) 3.312 10.675 ( 1.529 1.992 -0.057) 2.512 13.143 ( -0.517 -1.380 0.130) 1.479 ======================= Grid point 64 (29/88) ======================= q-point: (-0.14 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.470 ( 1.823 9.523 10.630) 14.388 0.499 ( 4.968 6.780 14.069) 16.388 0.810 ( 0.138 12.738 19.780) 23.527 1.042 ( 4.447 1.205 -3.167) 5.591 1.218 ( -1.589 2.558 -0.400) 3.038 1.354 ( -2.774 -5.938 -1.173) 6.658 1.466 ( -3.041 -1.438 -6.029) 6.904 1.596 ( -7.738 -2.466 -3.229) 8.740 1.691 ( 1.198 0.563 -3.347) 3.600 1.732 ( 0.462 1.093 1.742) 2.107 1.780 ( 0.218 -0.422 -4.576) 4.600 1.937 ( 4.841 -2.651 -3.644) 6.614 2.069 ( -0.765 -3.899 3.926) 5.586 2.108 ( 3.542 0.596 -0.475) 3.623 2.193 ( -3.296 -1.571 2.761) 4.577 2.264 ( -3.238 -3.793 0.820) 5.054 2.324 ( 2.899 3.883 -1.183) 4.988 2.344 ( 0.477 -0.363 0.918) 1.097 2.427 ( -0.586 -1.729 1.527) 2.380 2.455 ( -2.476 4.866 0.519) 5.484 2.561 ( -3.412 3.863 -4.459) 6.815 2.660 ( 7.282 -4.139 -1.223) 8.465 2.760 ( -3.748 -3.316 2.187) 5.462 2.831 ( 2.906 2.496 -1.028) 3.966 2.978 ( 0.861 -2.319 -1.596) 2.944 3.066 ( 0.096 3.501 -1.485) 3.804 3.159 ( -2.615 1.062 1.104) 3.031 3.230 ( 0.850 4.056 2.386) 4.782 3.359 ( 2.626 0.462 -2.357) 3.559 3.596 ( -6.265 -1.811 -0.687) 6.558 3.705 ( -3.163 -0.150 2.939) 4.320 3.895 ( -3.939 0.130 -5.194) 6.520 4.057 ( 0.439 -2.160 0.048) 2.204 4.114 ( 2.497 0.522 3.916) 4.674 4.183 ( 5.474 -3.765 1.838) 6.893 4.277 ( 2.302 2.772 -1.018) 3.745 6.925 ( 2.757 -6.114 4.083) 7.852 10.145 ( -3.487 1.064 1.364) 3.893 10.447 ( 0.040 -0.162 -5.292) 5.295 10.533 ( 0.931 2.907 0.089) 3.054 10.622 ( -1.864 5.848 -2.440) 6.605 13.149 ( -0.126 -0.886 -0.411) 0.985 ======================= Grid point 67 (30/88) ======================= q-point: ( 0.29 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( -1.609 0.000 -3.875) 4.196 0.955 ( -1.758 0.000 4.654) 4.975 1.004 ( -0.084 0.000 7.510) 7.511 1.113 ( -1.163 0.000 -4.325) 4.479 1.153 ( -0.580 0.000 -0.111) 0.591 1.335 ( -0.559 0.000 -1.534) 1.633 1.494 ( -0.033 0.000 -6.557) 6.557 1.607 ( 1.982 -0.000 4.354) 4.784 1.700 ( 0.381 -0.000 -4.028) 4.046 1.748 ( 4.487 -0.000 8.470) 9.585 1.901 ( -6.823 0.000 -8.122) 10.608 1.937 ( 2.238 -0.000 0.283) 2.256 1.990 ( -1.029 0.000 0.905) 1.371 2.037 ( -2.117 0.000 0.251) 2.132 2.052 ( 5.704 -0.000 0.450) 5.722 2.170 ( -7.207 0.000 -0.304) 7.213 2.207 ( -1.110 0.000 3.554) 3.724 2.377 ( 2.575 -0.000 1.317) 2.892 2.412 ( -0.588 0.000 -3.081) 3.137 2.476 ( 3.894 -0.000 -1.197) 4.074 2.527 ( 3.007 -0.000 -1.142) 3.217 2.817 ( -1.674 0.000 3.051) 3.480 2.824 ( 3.906 -0.000 -2.982) 4.914 2.859 ( -1.029 0.000 3.696) 3.837 2.929 ( 0.554 -0.000 0.818) 0.988 2.987 ( -2.100 0.000 2.144) 3.001 3.062 ( 2.306 -0.000 -0.443) 2.348 3.300 ( -1.273 0.000 1.483) 1.954 3.477 ( -0.194 0.000 2.150) 2.158 3.539 ( 0.201 -0.000 -4.067) 4.072 3.787 ( 1.290 -0.000 2.417) 2.740 3.953 ( 4.500 -0.000 2.588) 5.191 3.988 ( -3.618 0.000 0.145) 3.621 4.054 ( -5.065 0.000 -2.653) 5.717 4.122 ( -1.996 0.000 -4.559) 4.977 4.319 ( 2.524 -0.000 0.830) 2.657 6.913 ( -4.908 0.000 0.413) 4.926 10.289 ( 1.015 -0.000 2.948) 3.118 10.395 ( 1.739 -0.000 -4.694) 5.006 10.450 ( 3.469 -0.000 -3.689) 5.064 10.587 ( 1.506 -0.000 4.376) 4.628 13.122 ( -0.788 0.000 -0.175) 0.807 ======================= Grid point 68 (31/88) ======================= q-point: (-0.57 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.625 ( -1.506 -1.259 -5.575) 5.911 0.960 ( -4.797 0.741 0.888) 4.935 1.022 ( -2.642 1.429 7.183) 7.786 1.038 ( -3.534 2.524 -2.200) 4.868 1.161 ( -0.342 -3.442 1.656) 3.835 1.374 ( 4.510 0.007 2.666) 5.239 1.424 ( 0.858 1.849 -5.613) 5.972 1.649 ( 0.313 -0.263 3.440) 3.464 1.672 ( -0.501 -1.156 -3.832) 4.034 1.743 ( -6.172 0.353 -5.798) 8.476 1.837 ( 0.852 0.236 2.995) 3.123 1.945 ( -1.001 0.034 -2.550) 2.739 1.997 ( 0.855 3.287 0.788) 3.487 2.039 ( -1.044 0.884 0.442) 1.437 2.114 ( 0.515 -2.486 3.152) 4.048 2.130 ( 4.419 -2.081 -0.215) 4.889 2.233 ( -0.769 -2.106 5.283) 5.739 2.369 ( -1.424 0.152 -2.756) 3.106 2.415 ( 2.051 0.551 -0.430) 2.167 2.499 ( 2.832 2.195 -3.470) 4.988 2.565 ( 2.700 -0.083 -0.523) 2.752 2.774 ( 2.346 7.812 0.013) 8.157 2.838 ( -3.856 1.035 1.912) 4.426 2.859 ( 1.270 0.411 -0.404) 1.395 2.923 ( 1.313 2.045 -0.313) 2.451 3.041 ( -0.295 -7.952 0.981) 8.018 3.131 ( 3.283 -3.727 1.316) 5.138 3.278 ( -1.495 1.768 0.831) 2.460 3.453 ( -0.486 1.698 -3.493) 3.915 3.530 ( -1.574 -1.419 2.274) 3.109 3.805 ( -1.388 0.747 1.736) 2.345 3.931 ( -1.942 1.706 0.173) 2.591 3.982 ( -3.718 -2.692 -1.683) 4.889 4.024 ( 2.568 -0.326 1.360) 2.924 4.079 ( -0.690 -0.813 -2.585) 2.797 4.356 ( 2.050 0.844 0.778) 2.349 6.844 ( -4.825 -0.721 0.406) 4.895 10.283 ( -1.341 1.613 0.060) 2.099 10.399 ( 0.921 -2.165 -3.096) 3.888 10.510 ( 5.826 0.495 -0.250) 5.853 10.646 ( 1.652 -0.217 4.321) 4.632 13.113 ( -0.898 -0.590 0.497) 1.184 ======================= Grid point 69 (32/88) ======================= q-point: (-0.43 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( 1.006 0.593 0.121) 1.174 0.778 ( -5.398 8.317 -5.144) 11.170 0.970 ( -3.280 1.499 2.144) 4.195 1.044 ( -1.728 -0.451 7.326) 7.541 1.206 ( -1.047 -2.928 2.131) 3.769 1.408 ( 3.327 3.265 -3.117) 5.607 1.459 ( 1.469 -1.147 1.095) 2.162 1.619 ( -4.243 1.526 -1.083) 4.637 1.653 ( -0.923 -1.196 -0.479) 1.585 1.716 ( 5.163 -3.433 -1.387) 6.353 1.850 ( -0.549 1.280 0.614) 1.523 1.876 ( -3.031 2.340 -0.912) 3.936 1.993 ( 0.576 -0.522 1.275) 1.494 2.025 ( -0.815 -0.758 1.266) 1.686 2.136 ( 0.142 -1.759 -2.665) 3.197 2.217 ( 0.228 -2.059 -0.660) 2.175 2.287 ( -2.807 -2.547 3.614) 5.237 2.342 ( 1.764 0.031 0.834) 1.952 2.446 ( 2.715 -0.396 -0.170) 2.749 2.486 ( 4.735 4.181 -3.628) 7.285 2.595 ( 2.293 1.404 -0.671) 2.772 2.735 ( 2.366 5.637 -0.686) 6.151 2.761 ( -6.544 0.080 -0.347) 6.554 2.865 ( 1.826 1.344 -1.360) 2.644 2.920 ( 0.817 0.030 -0.860) 1.187 3.123 ( 0.289 -5.836 -0.296) 5.851 3.205 ( 0.016 0.517 -0.295) 0.595 3.257 ( 1.619 -1.348 0.754) 2.238 3.394 ( -1.103 3.825 -1.471) 4.244 3.544 ( -1.857 -2.716 2.146) 3.928 3.759 ( -3.354 1.523 1.378) 3.933 3.912 ( -0.996 -1.726 -0.869) 2.174 3.967 ( -0.798 -2.132 -0.861) 2.434 4.066 ( 0.862 -1.043 0.954) 1.656 4.079 ( 1.328 0.259 1.556) 2.062 4.367 ( 0.742 1.873 -0.100) 2.016 6.802 ( -2.912 -1.954 0.909) 3.623 10.238 ( -1.469 2.061 -0.883) 2.680 10.412 ( 0.294 -2.562 -2.627) 3.682 10.580 ( 3.901 2.114 1.941) 4.842 10.697 ( 1.051 0.386 3.265) 3.452 13.116 ( -0.598 -1.027 0.880) 1.479 ======================= Grid point 70 (33/88) ======================= q-point: (-0.29 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( 2.245 6.508 7.001) 9.819 0.658 ( 5.112 5.639 1.480) 7.754 0.957 ( -0.347 0.113 5.713) 5.724 1.073 ( 0.179 1.775 3.372) 3.815 1.226 ( -1.447 -3.007 1.319) 3.589 1.360 ( 0.625 7.552 -1.429) 7.712 1.431 ( -4.269 -1.627 -4.189) 6.198 1.567 ( -2.066 0.257 -0.152) 2.087 1.659 ( -0.228 -2.094 -0.888) 2.286 1.766 ( -0.797 2.285 -2.350) 3.373 1.821 ( 0.810 2.356 -1.515) 2.916 1.900 ( 7.644 -0.137 2.240) 7.966 1.999 ( -2.098 -2.353 1.756) 3.609 2.088 ( 1.389 -4.768 2.261) 5.457 2.122 ( -1.209 -2.784 -3.568) 4.684 2.193 ( -3.305 -1.660 1.665) 4.056 2.267 ( -3.568 -3.677 -2.529) 5.714 2.399 ( 2.498 1.164 2.684) 3.847 2.463 ( 2.557 3.100 -0.424) 4.041 2.531 ( 2.370 0.550 0.001) 2.433 2.584 ( 0.874 1.465 -3.125) 3.561 2.637 ( -5.160 1.400 -1.445) 5.539 2.728 ( -0.028 0.537 -0.163) 0.562 2.869 ( 2.237 1.391 -1.880) 3.236 2.931 ( 0.676 -1.716 -1.990) 2.713 3.139 ( -0.949 0.826 -1.283) 1.798 3.166 ( -2.436 1.106 0.308) 2.693 3.318 ( 1.285 -3.891 -1.464) 4.351 3.335 ( 0.084 4.480 1.608) 4.760 3.556 ( -1.134 -1.494 0.518) 1.946 3.715 ( -2.266 0.904 1.754) 3.004 3.894 ( -2.052 -0.088 -3.024) 3.656 3.994 ( 1.657 -3.285 0.052) 3.680 4.099 ( 0.375 -2.816 0.928) 2.989 4.138 ( 3.341 0.444 4.969) 6.004 4.338 ( -0.571 2.611 -1.001) 2.854 6.824 ( 0.486 -3.747 2.133) 4.339 10.189 ( -1.128 2.429 -0.540) 2.732 10.418 ( 0.266 -1.933 -3.249) 3.790 10.603 ( 1.079 3.502 2.172) 4.260 10.703 ( -0.931 2.360 1.317) 2.859 13.128 ( -0.094 -0.987 0.697) 1.212 ======================= Grid point 71 (34/88) ======================= q-point: (-0.14 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( 3.739 5.033 4.641) 7.801 0.757 ( 4.622 7.374 12.043) 14.858 1.047 ( 3.520 0.555 7.896) 8.663 1.085 ( 4.789 -1.949 -2.120) 5.588 1.238 ( -1.609 -0.364 -0.707) 1.795 1.280 ( -0.665 4.300 0.408) 4.370 1.358 ( -2.919 -0.306 -2.149) 3.638 1.526 ( 0.206 2.921 0.441) 2.961 1.667 ( -0.140 -1.743 -2.325) 2.909 1.744 ( 1.314 -0.145 -1.116) 1.730 1.788 ( 1.163 3.453 -2.209) 4.261 1.919 ( -1.491 0.637 -3.990) 4.307 2.043 ( 0.082 -3.239 0.575) 3.291 2.135 ( 0.685 -2.627 0.417) 2.747 2.166 ( -1.895 -2.804 4.099) 5.316 2.209 ( -0.145 -3.764 0.952) 3.885 2.264 ( -0.779 -6.527 -1.025) 6.653 2.401 ( -6.835 6.651 -1.469) 9.650 2.419 ( 1.699 2.449 0.834) 3.095 2.458 ( -0.813 2.563 0.093) 2.690 2.559 ( 0.044 2.640 -2.943) 3.954 2.643 ( -1.251 -5.994 1.790) 6.379 2.731 ( 2.545 0.282 -1.641) 3.041 2.858 ( -1.531 0.301 -0.177) 1.570 2.952 ( 1.794 -2.049 -4.060) 4.888 3.088 ( -1.497 3.396 -0.689) 3.775 3.128 ( -1.947 -1.121 2.020) 3.021 3.316 ( 1.008 4.684 1.302) 4.965 3.359 ( 0.866 -2.342 0.381) 2.526 3.553 ( 1.410 1.312 -1.356) 2.356 3.701 ( -0.816 0.607 2.540) 2.736 3.824 ( -1.489 1.356 -3.350) 3.908 4.066 ( 2.279 -2.026 0.976) 3.202 4.128 ( -0.968 -2.886 0.458) 3.078 4.229 ( 2.572 -1.474 2.764) 4.053 4.294 ( -1.017 1.306 -1.523) 2.250 6.913 ( 1.590 -5.595 2.113) 6.189 10.155 ( 0.598 2.168 -0.028) 2.249 10.412 ( 1.026 -0.790 -4.323) 4.513 10.575 ( -0.999 3.841 0.963) 4.084 10.643 ( -2.417 5.271 1.282) 5.939 13.141 ( 0.236 -0.521 0.103) 0.582 ======================= Grid point 75 (35/88) ======================= q-point: ( 0.43 -0.57 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.586 ( 2.891 -0.000 -3.634) 4.643 0.874 ( -6.359 0.000 -4.223) 7.634 0.987 ( -3.511 0.000 1.939) 4.011 1.058 ( -2.050 0.000 5.606) 5.969 1.153 ( 0.118 -0.000 4.714) 4.715 1.434 ( 4.675 -0.000 -3.119) 5.620 1.445 ( 0.582 -0.000 1.319) 1.441 1.615 ( -4.482 0.000 -4.372) 6.262 1.672 ( 5.362 -0.000 -1.197) 5.494 1.681 ( -0.212 0.000 2.453) 2.462 1.851 ( -0.060 0.000 1.217) 1.218 1.878 ( -3.509 0.000 -2.787) 4.481 2.032 ( -2.239 0.000 2.424) 3.300 2.052 ( 1.743 -0.000 -0.318) 1.772 2.125 ( 0.295 -0.000 -3.635) 3.647 2.147 ( 0.767 -0.000 2.514) 2.629 2.264 ( -1.765 0.000 2.164) 2.793 2.338 ( 1.877 -0.000 -0.533) 1.951 2.446 ( 0.706 -0.000 0.944) 1.179 2.531 ( 4.093 -0.000 -3.490) 5.379 2.604 ( 2.426 -0.000 0.188) 2.433 2.755 ( -6.277 0.000 -3.085) 6.994 2.860 ( 0.689 -0.000 4.102) 4.160 2.865 ( 1.241 -0.000 -5.344) 5.486 2.974 ( -0.722 0.000 2.952) 3.039 2.981 ( 1.546 -0.000 -0.286) 1.573 3.164 ( 3.913 -0.000 -2.353) 4.566 3.274 ( -1.228 0.000 0.662) 1.395 3.433 ( -2.033 0.000 -0.362) 2.065 3.515 ( 0.100 -0.000 0.438) 0.449 3.778 ( -3.806 0.000 1.097) 3.961 3.892 ( -1.509 0.000 -1.628) 2.220 3.945 ( -0.552 0.000 0.407) 0.686 4.053 ( 0.529 -0.000 0.420) 0.676 4.082 ( 1.857 -0.000 2.017) 2.742 4.387 ( 0.829 -0.000 0.088) 0.834 6.780 ( -3.202 0.000 0.592) 3.256 10.263 ( -1.382 0.000 -1.626) 2.134 10.382 ( 1.043 -0.000 -2.519) 2.726 10.605 ( 4.372 -0.000 2.607) 5.090 10.699 ( 0.820 -0.000 4.787) 4.857 13.105 ( -0.628 0.000 1.200) 1.354 ======================= Grid point 77 (36/88) ======================= q-point: (-0.43 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( 6.910 -2.842 -6.325) 9.789 0.751 ( -2.317 3.358 1.925) 4.511 0.982 ( 0.538 1.015 3.554) 3.735 1.068 ( -2.395 -0.203 6.056) 6.516 1.187 ( -1.085 -0.986 2.474) 2.876 1.409 ( -3.772 -0.337 -1.296) 4.003 1.455 ( 0.393 1.021 -5.749) 5.852 1.586 ( 3.092 0.858 3.559) 4.792 1.683 ( 1.451 3.054 1.195) 3.586 1.790 ( 3.733 -0.431 1.292) 3.974 1.834 ( 2.036 0.099 -1.170) 2.350 1.883 ( 1.765 -2.929 2.669) 4.338 1.994 ( -2.662 2.066 -1.020) 3.521 2.047 ( -0.318 0.893 -1.098) 1.451 2.084 ( -0.702 0.278 -3.078) 3.170 2.166 ( -2.404 -3.056 0.040) 3.888 2.201 ( -4.907 -1.197 -1.652) 5.314 2.404 ( 3.564 -0.106 2.253) 4.217 2.457 ( -0.514 -1.384 0.633) 1.606 2.564 ( 3.626 1.612 -3.537) 5.316 2.625 ( -0.031 1.133 0.020) 1.134 2.645 ( -4.635 -0.488 -1.167) 4.805 2.798 ( -0.050 4.242 -4.598) 6.256 2.892 ( 0.167 0.439 0.972) 1.079 2.935 ( 0.336 3.318 -0.964) 3.471 3.057 ( -0.526 -6.418 0.518) 6.460 3.188 ( -0.292 -1.793 -2.597) 3.170 3.258 ( -0.398 0.133 -0.078) 0.427 3.393 ( -2.007 0.996 1.120) 2.505 3.545 ( 3.352 0.267 -0.134) 3.365 3.732 ( -2.536 0.486 1.044) 2.785 3.895 ( 1.154 0.158 -0.230) 1.187 3.939 ( -0.019 -1.625 -0.363) 1.665 4.053 ( -1.034 -1.270 -0.484) 1.708 4.148 ( 2.828 0.265 5.159) 5.889 4.377 ( -0.979 1.034 -0.742) 1.606 6.769 ( 0.069 -1.398 0.953) 1.693 10.227 ( -0.668 1.039 -1.966) 2.322 10.384 ( 0.909 -0.985 -2.387) 2.738 10.661 ( 0.965 1.644 3.656) 4.123 10.734 ( -0.924 0.680 4.948) 5.080 13.113 ( -0.045 -0.402 1.572) 1.623 ======================= Grid point 78 (37/88) ======================= q-point: (-0.29 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( 2.564 -2.848 -6.533) 7.574 0.865 ( 7.827 0.363 8.744) 11.740 1.003 ( -1.179 1.558 5.925) 6.239 1.090 ( 1.225 -1.539 -0.235) 1.981 1.180 ( -2.341 -1.944 0.141) 3.046 1.353 ( -1.140 1.957 -1.441) 2.684 1.406 ( -0.325 1.968 -0.548) 2.069 1.624 ( 0.676 3.711 3.069) 4.863 1.683 ( 1.576 5.533 -0.413) 5.768 1.780 ( 2.005 3.036 -0.959) 3.763 1.845 ( 0.255 0.910 -0.556) 1.097 1.914 ( -4.687 -1.444 -2.050) 5.315 2.015 ( 4.253 -1.066 -2.063) 4.845 2.053 ( 1.626 -3.788 -0.048) 4.123 2.070 ( -0.293 -3.704 0.847) 3.811 2.150 ( -3.127 -2.020 0.587) 3.769 2.168 ( -0.631 -2.062 1.925) 2.891 2.432 ( -1.394 -0.550 0.477) 1.573 2.494 ( -4.617 -2.197 -1.894) 5.453 2.507 ( 2.247 1.145 -1.209) 2.797 2.578 ( 0.186 5.284 -1.157) 5.412 2.625 ( -0.346 1.688 0.291) 1.747 2.746 ( 1.009 1.025 -2.843) 3.186 2.858 ( -3.816 -0.323 -1.382) 4.072 2.916 ( 1.685 -0.093 -3.362) 3.762 3.087 ( -3.057 -3.230 1.553) 4.711 3.153 ( -1.338 2.031 -0.871) 2.583 3.283 ( 0.931 -3.810 0.229) 3.929 3.379 ( 0.371 1.257 0.576) 1.431 3.590 ( 3.938 2.005 -0.546) 4.452 3.714 ( -0.504 0.573 1.675) 1.840 3.864 ( -0.495 2.489 -1.916) 3.180 4.010 ( 3.786 -3.004 1.337) 5.014 4.049 ( -2.369 -3.738 -1.030) 4.544 4.220 ( 1.682 0.252 4.719) 5.016 4.334 ( -1.692 1.753 -0.919) 2.604 6.823 ( 2.534 -2.994 1.230) 4.111 10.197 ( 0.233 1.544 -1.422) 2.112 10.390 ( 1.118 -1.105 -3.033) 3.416 10.652 ( -2.116 3.073 3.027) 4.804 10.726 ( -2.663 2.690 4.654) 5.999 13.132 ( 0.422 -0.326 1.342) 1.444 ======================= Grid point 79 (38/88) ======================= q-point: (-0.14 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( 1.073 -3.686 -1.861) 4.267 0.932 ( -2.333 4.505 8.128) 9.581 1.083 ( 4.997 -3.999 0.769) 6.446 1.127 ( 2.822 0.636 -1.327) 3.182 1.205 ( 1.359 -5.570 1.006) 5.821 1.297 ( -0.443 4.453 -1.814) 4.829 1.370 ( -1.052 4.715 -0.027) 4.831 1.595 ( -0.528 1.492 1.107) 1.931 1.639 ( -1.682 1.497 -0.862) 2.411 1.777 ( 1.441 0.227 -2.535) 2.925 1.824 ( 2.079 2.892 0.389) 3.583 1.915 ( 2.671 1.642 2.193) 3.826 1.998 ( -0.992 -1.394 -2.978) 3.435 2.104 ( -2.026 -2.405 2.358) 3.930 2.123 ( -1.230 -4.022 1.149) 4.360 2.160 ( 0.175 -3.625 -0.091) 3.630 2.239 ( 2.300 -2.751 2.075) 4.143 2.359 ( -4.695 5.105 -1.765) 7.157 2.427 ( -1.913 -1.403 -1.378) 2.743 2.458 ( -2.849 4.492 -0.846) 5.386 2.586 ( 0.960 3.094 -0.373) 3.261 2.622 ( 2.652 -3.125 2.126) 4.618 2.732 ( -1.205 -0.203 -2.583) 2.857 2.807 ( -0.784 -1.778 -3.041) 3.608 2.918 ( -0.462 -1.655 -2.574) 3.094 3.088 ( -1.253 -0.231 3.802) 4.010 3.123 ( 0.359 0.588 -0.514) 0.859 3.334 ( 0.845 -1.617 -1.569) 2.407 3.379 ( 0.035 0.125 2.630) 2.634 3.596 ( 1.829 2.717 -2.348) 4.030 3.723 ( 0.326 0.614 2.047) 2.162 3.851 ( 3.748 2.732 0.501) 4.666 4.029 ( -4.048 -3.899 -1.682) 5.866 4.104 ( 2.815 -2.549 0.677) 3.857 4.250 ( -0.746 0.227 1.501) 1.691 4.289 ( -0.885 1.800 -0.390) 2.043 6.903 ( 1.914 -3.270 0.956) 3.908 10.187 ( 1.483 1.047 -0.530) 1.891 10.397 ( 1.889 -0.796 -3.618) 4.159 10.591 ( -3.173 3.407 1.229) 4.815 10.674 ( -3.259 4.564 4.260) 7.043 13.147 ( 0.405 0.175 0.669) 0.802 ======================= Grid point 84 (39/88) ======================= q-point: (-0.43 0.57 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( 2.887 -0.000 -12.214) 12.550 0.848 ( 5.170 -0.000 8.922) 10.312 1.042 ( -5.116 0.000 4.492) 6.808 1.065 ( 4.867 -0.000 2.496) 5.470 1.159 ( -2.895 0.000 -1.471) 3.248 1.393 ( 0.954 -0.000 4.586) 4.684 1.405 ( -0.113 0.000 -4.497) 4.499 1.680 ( 0.365 -0.000 4.329) 4.344 1.772 ( 1.830 -0.000 -2.656) 3.225 1.795 ( -0.405 0.000 0.117) 0.422 1.855 ( -1.763 0.000 3.242) 3.691 1.937 ( -1.785 0.000 -8.129) 8.323 1.947 ( 3.949 -0.000 -0.970) 4.067 1.961 ( 2.802 -0.000 -0.398) 2.830 2.096 ( -0.606 0.000 0.500) 0.786 2.132 ( -2.276 0.000 -0.903) 2.448 2.150 ( 0.460 -0.000 4.529) 4.552 2.416 ( -3.363 0.000 -0.116) 3.365 2.455 ( -0.119 0.000 0.134) 0.179 2.526 ( 0.510 -0.000 -3.944) 3.976 2.635 ( -1.094 0.000 0.854) 1.388 2.652 ( 2.450 -0.000 0.302) 2.469 2.763 ( -0.680 0.000 -6.087) 6.125 2.853 ( -4.956 0.000 -1.860) 5.294 2.949 ( -2.669 0.000 -2.652) 3.763 3.016 ( 0.980 -0.000 2.025) 2.250 3.164 ( -0.249 0.000 1.328) 1.351 3.245 ( -0.679 0.000 -1.016) 1.222 3.388 ( -0.175 0.000 0.318) 0.363 3.616 ( 4.957 -0.000 -0.432) 4.976 3.721 ( -0.327 0.000 1.080) 1.129 3.911 ( -0.222 0.000 -0.605) 0.644 3.958 ( 3.949 -0.000 1.157) 4.115 4.006 ( -2.423 0.000 -1.605) 2.907 4.224 ( 1.477 -0.000 5.041) 5.253 4.353 ( -1.874 0.000 -0.768) 2.025 6.791 ( 2.867 -0.000 0.789) 2.974 10.214 ( 0.203 -0.000 -1.991) 2.001 10.377 ( 1.102 -0.000 -2.624) 2.846 10.687 ( -2.624 0.000 3.935) 4.730 10.754 ( -2.772 0.000 6.421) 6.994 13.128 ( 0.509 -0.000 1.885) 1.952 ======================= Grid point 86 (40/88) ======================= q-point: (-0.29 -0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.602 ( 2.211 -4.182 -8.000) 9.294 0.968 ( -6.462 -0.086 2.020) 6.771 1.001 ( 3.330 -3.351 6.766) 8.252 1.109 ( -1.189 -1.470 -2.323) 2.995 1.166 ( 5.598 1.305 3.108) 6.535 1.377 ( 1.177 2.383 -3.384) 4.303 1.469 ( 1.781 3.617 4.782) 6.255 1.598 ( -7.590 -0.564 -3.463) 8.362 1.700 ( -0.268 2.877 1.854) 3.433 1.791 ( -4.276 0.400 -5.525) 6.998 1.818 ( 1.234 -2.972 -3.824) 4.998 1.911 ( 3.778 0.912 1.521) 4.173 2.015 ( 0.411 -3.710 0.603) 3.781 2.071 ( 2.479 4.227 -0.466) 4.923 2.094 ( -1.061 -0.071 2.447) 2.668 2.112 ( 3.569 -1.080 0.844) 3.823 2.206 ( 2.258 -0.313 5.106) 5.592 2.375 ( -2.515 -2.442 -0.608) 3.557 2.406 ( -2.415 0.471 -3.517) 4.292 2.553 ( 0.569 1.141 0.959) 1.596 2.602 ( -1.183 1.607 0.756) 2.133 2.657 ( 1.322 3.714 -1.037) 4.076 2.725 ( -1.702 -0.626 -3.230) 3.704 2.760 ( -2.480 -2.481 -4.433) 5.653 2.893 ( -1.367 -0.356 -1.512) 2.069 3.056 ( 0.349 -1.579 2.241) 2.764 3.163 ( -0.391 2.405 1.146) 2.692 3.256 ( 0.430 -4.022 -0.072) 4.046 3.385 ( -0.463 -0.045 -0.280) 0.543 3.649 ( 1.612 1.752 -2.589) 3.517 3.735 ( 0.371 0.395 2.442) 2.502 3.911 ( 2.244 2.336 -0.327) 3.255 3.952 ( -2.216 -2.536 -1.371) 3.636 4.055 ( 4.065 -1.795 1.152) 4.591 4.259 ( -0.548 0.333 2.837) 2.909 4.319 ( -1.512 0.855 -0.324) 1.767 6.855 ( 3.660 -1.199 0.599) 3.897 10.207 ( 1.043 0.666 -1.102) 1.657 10.377 ( 1.358 -0.794 -3.133) 3.506 10.647 ( -4.712 1.555 2.770) 5.682 10.743 ( -4.078 1.772 6.562) 7.926 13.151 ( 0.644 0.113 1.579) 1.709 ======================= Grid point 87 (41/88) ======================= q-point: (-0.14 -0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.630 ( -0.904 -6.010 -3.475) 7.001 0.898 ( -6.549 -2.666 3.313) 7.809 1.072 ( -2.098 -7.173 -1.942) 7.721 1.163 ( 3.597 -0.455 4.027) 5.419 1.226 ( 1.380 3.128 -3.543) 4.923 1.313 ( -0.094 0.349 -0.493) 0.611 1.395 ( -1.229 6.033 -1.266) 6.286 1.535 ( -6.181 -1.742 -3.742) 7.433 1.683 ( 3.114 3.844 3.312) 5.954 1.770 ( 0.770 -2.077 2.072) 3.033 1.851 ( 1.708 -2.928 -4.495) 5.630 1.966 ( 1.797 0.185 4.569) 4.913 2.015 ( 0.551 5.363 -0.811) 5.452 2.067 ( -1.478 -0.558 -0.441) 1.640 2.079 ( 0.639 -4.039 0.057) 4.089 2.168 ( 1.273 0.135 0.900) 1.565 2.268 ( 0.023 -1.014 3.106) 3.268 2.340 ( -0.885 0.607 -3.434) 3.598 2.404 ( 0.929 2.001 2.092) 3.041 2.444 ( -3.886 4.435 0.068) 5.897 2.595 ( -1.049 1.414 -3.568) 3.979 2.656 ( -2.803 -0.102 -1.606) 3.232 2.689 ( 3.188 -1.835 3.460) 5.050 2.773 ( 3.003 -2.184 -5.453) 6.598 2.893 ( 0.494 -0.603 0.408) 0.880 3.097 ( 0.298 -2.003 2.338) 3.093 3.146 ( 0.428 1.976 1.963) 2.817 3.307 ( 0.678 -3.369 -1.696) 3.832 3.372 ( -1.890 -1.311 0.916) 2.476 3.614 ( -0.276 1.994 -1.883) 2.757 3.745 ( -0.284 0.522 1.906) 1.996 3.896 ( -3.347 -3.583 -1.178) 5.042 3.984 ( 5.206 3.223 1.147) 6.229 4.124 ( 1.914 -1.345 -0.174) 2.346 4.246 ( -1.409 0.999 -0.631) 1.840 4.288 ( -0.935 1.162 0.576) 1.598 6.915 ( 1.845 -0.980 0.290) 2.109 10.215 ( 1.511 0.748 0.078) 1.688 10.392 ( 2.436 -1.604 -3.093) 4.251 10.571 ( -4.063 1.971 0.614) 4.558 10.697 ( -4.464 3.291 5.625) 7.899 13.163 ( 0.251 0.666 0.879) 1.131 ======================= Grid point 93 (42/88) ======================= q-point: (-0.29 -0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.548 ( -0.186 0.000 -4.431) 4.435 0.868 ( -10.000 0.000 4.005) 10.772 0.974 ( -1.296 0.000 -3.058) 3.322 1.157 ( 3.899 -0.000 4.162) 5.703 1.283 ( 5.598 -0.000 3.649) 6.682 1.312 ( -5.553 0.000 -8.040) 9.772 1.481 ( -9.113 0.000 -7.274) 11.660 1.490 ( 0.418 -0.000 1.821) 1.868 1.736 ( 0.541 -0.000 2.381) 2.442 1.755 ( 0.959 -0.000 3.831) 3.949 1.807 ( 3.543 -0.000 -4.459) 5.695 1.969 ( 3.760 -0.000 -1.293) 3.976 1.998 ( 0.556 -0.000 2.911) 2.963 2.075 ( -1.196 0.000 1.645) 2.034 2.100 ( 0.612 -0.000 -1.260) 1.401 2.178 ( 1.228 -0.000 -1.870) 2.237 2.247 ( -2.805 0.000 4.651) 5.431 2.363 ( -1.125 0.000 -2.302) 2.562 2.381 ( 4.539 -0.000 1.999) 4.960 2.568 ( -2.277 0.000 1.672) 2.825 2.584 ( -2.604 0.000 1.723) 3.122 2.626 ( -3.203 0.000 -5.091) 6.014 2.697 ( 1.151 -0.000 -4.539) 4.682 2.740 ( 4.688 -0.000 0.124) 4.690 2.883 ( 1.045 -0.000 0.353) 1.103 3.071 ( 0.780 -0.000 0.972) 1.247 3.199 ( -0.323 0.000 2.346) 2.369 3.225 ( 0.401 -0.000 0.291) 0.495 3.362 ( -1.738 0.000 -1.293) 2.167 3.639 ( -0.853 0.000 -2.179) 2.340 3.757 ( -0.655 0.000 2.370) 2.458 3.847 ( -3.309 0.000 -1.687) 3.715 4.029 ( 5.742 -0.000 1.139) 5.854 4.102 ( 2.702 -0.000 -0.144) 2.706 4.257 ( -1.247 0.000 -0.634) 1.399 4.303 ( -1.159 0.000 1.122) 1.613 6.905 ( 3.008 -0.000 0.124) 3.010 10.230 ( 1.983 -0.000 0.432) 2.029 10.366 ( 1.320 -0.000 -3.414) 3.660 10.593 ( -5.220 0.000 1.371) 5.397 10.734 ( -5.149 0.000 6.514) 8.304 13.171 ( 0.404 -0.000 1.236) 1.300 ======================= Grid point 94 (43/88) ======================= q-point: (-0.14 -0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.521 ( -4.945 -4.267 0.520) 6.552 0.749 ( -12.716 -4.459 5.227) 14.453 0.966 ( 0.736 -3.980 -5.268) 6.643 1.163 ( -10.996 2.288 -6.733) 13.096 1.233 ( -4.366 -1.235 -4.128) 6.134 1.250 ( 0.391 -1.523 2.522) 2.972 1.394 ( 5.539 0.446 2.703) 6.180 1.528 ( 2.711 2.715 2.901) 4.810 1.760 ( 0.138 -0.715 1.421) 1.597 1.796 ( 1.175 0.750 4.547) 4.756 1.804 ( 0.154 -0.034 -4.756) 4.759 2.023 ( 2.475 -2.103 -1.384) 3.531 2.037 ( 0.798 0.605 -3.538) 3.677 2.078 ( 0.635 1.931 1.633) 2.608 2.125 ( 4.906 2.236 3.709) 6.544 2.173 ( 1.253 -1.913 0.455) 2.332 2.240 ( -2.384 -1.890 0.794) 3.144 2.337 ( 0.301 2.115 2.095) 2.992 2.446 ( 0.338 -1.185 1.437) 1.893 2.468 ( -3.057 8.373 1.151) 8.987 2.551 ( -0.527 0.734 -5.637) 5.709 2.600 ( -2.369 -2.905 1.095) 3.905 2.700 ( 1.963 -2.909 -3.450) 4.921 2.816 ( 5.052 0.868 -0.162) 5.129 2.915 ( 1.861 -0.137 0.851) 2.051 3.091 ( 0.289 -1.576 0.067) 1.604 3.185 ( -1.101 1.209 1.748) 2.393 3.267 ( 0.368 -2.990 0.056) 3.013 3.321 ( -2.768 -0.876 -1.295) 3.179 3.612 ( -0.832 0.848 0.645) 1.352 3.751 ( -1.870 0.048 2.366) 3.016 3.833 ( 0.098 -2.036 1.550) 2.561 4.081 ( 2.187 1.936 -0.538) 2.970 4.122 ( -0.067 -0.499 -1.772) 1.842 4.214 ( -1.104 0.600 -3.935) 4.131 4.309 ( 0.800 1.075 1.596) 2.084 6.932 ( 0.509 0.276 -0.430) 0.721 10.259 ( 1.553 2.586 1.584) 3.407 10.385 ( 2.883 -3.483 -2.566) 5.198 10.527 ( -3.191 0.385 -0.565) 3.263 10.689 ( -5.391 1.450 5.173) 7.611 13.177 ( -0.116 0.586 0.570) 0.826 ======================= Grid point 101 (44/88) ======================= q-point: (-0.14 -0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.413 ( -9.865 0.000 7.579) 12.440 0.532 ( -16.871 0.000 4.232) 17.393 0.801 ( -24.014 0.000 -1.703) 24.074 0.942 ( 4.063 -0.000 -6.203) 7.415 1.208 ( 0.138 -0.000 1.234) 1.241 1.369 ( 7.469 -0.000 4.703) 8.826 1.492 ( 4.679 -0.000 0.653) 4.724 1.607 ( 2.223 -0.000 2.778) 3.557 1.751 ( -0.764 0.000 -0.107) 0.772 1.774 ( -0.448 0.000 -2.094) 2.142 1.857 ( 1.816 -0.000 4.609) 4.954 1.985 ( -0.424 0.000 -8.587) 8.597 2.037 ( 1.586 -0.000 -6.918) 7.097 2.133 ( 2.994 -0.000 5.366) 6.145 2.140 ( 1.881 -0.000 0.013) 1.881 2.186 ( -4.027 0.000 -0.433) 4.050 2.278 ( 3.757 -0.000 3.011) 4.815 2.422 ( 2.939 -0.000 9.702) 10.138 2.422 ( -2.582 0.000 -0.137) 2.586 2.497 ( -4.060 0.000 0.883) 4.154 2.509 ( 0.684 -0.000 -0.638) 0.936 2.580 ( 3.464 -0.000 -1.071) 3.626 2.687 ( 3.123 -0.000 -4.100) 5.154 2.861 ( 0.331 -0.000 -2.138) 2.163 2.970 ( 4.296 -0.000 1.599) 4.584 3.075 ( -0.236 0.000 -1.270) 1.292 3.125 ( -5.082 0.000 -4.158) 6.567 3.260 ( -3.197 0.000 -1.086) 3.376 3.277 ( 0.102 -0.000 2.874) 2.876 3.637 ( 1.202 -0.000 4.999) 5.142 3.734 ( -2.394 0.000 3.472) 4.217 3.884 ( 4.271 -0.000 4.654) 6.317 4.066 ( -3.026 0.000 -2.088) 3.676 4.084 ( -2.034 0.000 -3.629) 4.160 4.187 ( 1.140 -0.000 -4.737) 4.872 4.326 ( -0.379 0.000 -2.340) 2.371 6.920 ( -1.826 0.000 -0.526) 1.900 10.351 ( 3.408 -0.000 3.554) 4.924 10.360 ( 1.745 -0.000 -3.125) 3.579 10.486 ( -0.974 0.000 -2.015) 2.238 10.647 ( -5.497 0.000 3.556) 6.547 13.178 ( -0.418 0.000 -0.036) 0.420 ======================= Grid point 102 (45/88) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( -3.843 0.000 12.910) 13.470 0.744 ( 3.229 -0.000 15.661) 15.990 0.993 ( 6.622 -0.000 0.505) 6.641 1.168 ( 3.982 -0.000 16.836) 17.301 1.172 ( -2.273 0.000 -2.101) 3.096 1.307 ( -5.607 0.000 -5.449) 7.818 1.315 ( -2.963 0.000 -6.411) 7.062 1.540 ( 0.231 -0.000 -7.867) 7.870 1.563 ( -0.088 0.000 -3.146) 3.147 1.742 ( -1.531 0.000 1.154) 1.917 1.755 ( 1.367 -0.000 -1.496) 2.026 1.821 ( 0.583 -0.000 -5.085) 5.118 2.142 ( 2.519 -0.000 2.211) 3.351 2.172 ( -3.907 0.000 -1.787) 4.296 2.226 ( 1.549 -0.000 4.660) 4.911 2.294 ( 1.022 -0.000 0.114) 1.028 2.352 ( -1.802 0.000 1.360) 2.258 2.376 ( 0.192 -0.000 0.239) 0.306 2.410 ( -3.098 0.000 1.524) 3.453 2.427 ( -0.446 0.000 1.895) 1.947 2.528 ( -1.813 0.000 -1.229) 2.191 2.653 ( 4.545 -0.000 -5.940) 7.479 2.796 ( 3.453 -0.000 2.913) 4.517 2.894 ( -1.991 0.000 3.492) 4.020 3.002 ( -2.377 0.000 -1.240) 2.680 3.049 ( 0.596 -0.000 -0.987) 1.153 3.052 ( -0.784 0.000 1.228) 1.457 3.227 ( 5.364 -0.000 -2.322) 5.845 3.342 ( -0.670 0.000 1.368) 1.523 3.550 ( -4.754 0.000 -2.807) 5.521 3.763 ( -2.760 0.000 2.318) 3.604 3.799 ( -3.139 0.000 -3.172) 4.463 4.099 ( 0.634 -0.000 1.375) 1.514 4.185 ( 1.944 -0.000 2.480) 3.151 4.204 ( 1.157 -0.000 -1.146) 1.629 4.221 ( 4.244 -0.000 -1.785) 4.604 7.045 ( 1.848 -0.000 0.412) 1.893 10.172 ( -4.259 0.000 0.510) 4.290 10.334 ( 1.560 -0.000 -1.820) 2.397 10.476 ( 1.321 -0.000 -0.916) 1.607 10.549 ( -2.356 0.000 0.101) 2.358 13.138 ( -0.105 0.000 -0.938) 0.943 ======================= Grid point 103 (46/88) ======================= q-point: ( 0.14 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( -1.906 -2.544 9.069) 9.610 0.921 ( 2.957 -2.718 13.242) 13.838 1.072 ( 4.941 3.338 -0.925) 6.034 1.111 ( -3.443 -2.030 -2.371) 4.647 1.172 ( -2.472 -0.602 -7.088) 7.531 1.261 ( 0.886 -1.710 -0.013) 1.926 1.350 ( 2.982 4.064 2.784) 5.758 1.525 ( 1.273 -3.717 -4.259) 5.795 1.571 ( 2.920 0.032 1.601) 3.330 1.740 ( -0.397 -0.822 1.729) 1.955 1.772 ( 3.057 1.276 -0.104) 3.314 1.808 ( 2.027 -0.871 -2.932) 3.669 2.111 ( -0.337 2.200 0.049) 2.226 2.158 ( -2.828 -2.542 -0.376) 3.821 2.239 ( -4.670 0.785 -1.369) 4.930 2.272 ( -0.262 0.773 4.739) 4.809 2.321 ( -6.372 0.784 0.143) 6.421 2.381 ( 2.194 0.608 -0.299) 2.296 2.399 ( -0.508 1.563 0.820) 1.836 2.432 ( 0.378 -0.153 0.777) 0.877 2.512 ( -1.593 -1.635 0.753) 2.404 2.656 ( 3.888 1.401 -6.412) 7.629 2.814 ( -1.733 1.731 2.775) 3.701 2.871 ( -2.228 4.711 -0.453) 5.231 2.942 ( 0.010 1.127 0.958) 1.480 3.021 ( 0.404 -0.044 -0.421) 0.586 3.130 ( -1.208 -7.600 1.102) 7.774 3.291 ( 4.348 1.435 -1.278) 4.753 3.351 ( 1.754 -1.055 -0.608) 2.135 3.509 ( -0.289 -0.734 0.640) 1.016 3.751 ( -0.794 0.851 1.876) 2.208 3.777 ( 1.117 -0.948 1.175) 1.878 4.103 ( -0.881 0.332 0.475) 1.054 4.181 ( 0.052 2.648 -0.933) 2.808 4.228 ( 0.240 -1.974 -0.092) 1.991 4.238 ( 0.337 -0.415 -3.411) 3.453 7.036 ( -0.371 2.929 -0.318) 2.970 10.157 ( 0.398 -0.205 2.226) 2.271 10.333 ( 0.618 -0.034 -2.548) 2.622 10.488 ( -0.653 -2.804 -1.297) 3.157 10.561 ( 0.063 -3.722 1.638) 4.067 13.134 ( 0.123 -0.264 -0.509) 0.587 ======================= Grid point 104 (47/88) ======================= q-point: ( 0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( -3.413 0.424 1.569) 3.780 1.031 ( 1.694 1.722 -6.774) 7.192 1.044 ( 0.204 -1.471 5.260) 5.466 1.117 ( -0.480 -4.876 -1.844) 5.235 1.185 ( -0.311 -3.986 4.538) 6.047 1.243 ( 1.563 4.952 -0.559) 5.223 1.421 ( 7.076 1.421 4.938) 8.744 1.512 ( -2.694 -2.912 -4.681) 6.136 1.612 ( 1.758 1.085 -0.873) 2.243 1.782 ( 1.860 -2.421 2.295) 3.819 1.814 ( 4.051 1.856 0.668) 4.506 1.858 ( 3.798 -1.356 -3.291) 5.205 2.087 ( -6.753 0.222 -5.271) 8.570 2.130 ( 2.711 3.756 4.838) 6.698 2.175 ( -3.765 -4.580 1.477) 6.110 2.208 ( -6.782 0.497 1.334) 6.930 2.284 ( -0.041 2.192 4.159) 4.702 2.341 ( -0.326 3.910 -0.206) 3.929 2.397 ( -0.747 0.528 -2.282) 2.459 2.445 ( -0.601 -0.407 0.267) 0.773 2.514 ( -1.773 -3.483 0.825) 3.994 2.649 ( 2.847 1.149 -6.051) 6.785 2.738 ( -0.902 8.013 -3.343) 8.730 2.819 ( 0.657 1.013 2.595) 2.862 2.957 ( -1.125 1.047 3.359) 3.693 3.046 ( 1.547 -3.312 -0.304) 3.668 3.182 ( -0.484 -2.857 1.476) 3.252 3.298 ( -0.105 0.604 -0.388) 0.726 3.391 ( 3.109 -0.721 -3.929) 5.062 3.550 ( 1.439 -1.034 3.759) 4.156 3.760 ( 0.883 0.756 2.170) 2.462 3.847 ( 3.926 -1.539 2.711) 5.013 4.057 ( -3.193 2.492 -1.679) 4.385 4.139 ( -0.767 0.809 -1.536) 1.898 4.208 ( -2.550 -1.821 -3.007) 4.343 4.253 ( 0.978 -0.967 0.375) 1.426 6.990 ( -0.905 3.129 0.008) 3.258 10.197 ( 2.461 0.750 1.887) 3.191 10.331 ( 1.211 -0.772 -2.012) 2.472 10.492 ( -2.476 -4.395 -1.766) 5.345 10.631 ( 0.249 -4.922 2.909) 5.722 13.139 ( 0.151 -0.741 0.048) 0.758 ======================= Grid point 105 (48/88) ======================= q-point: (-0.57 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( -2.927 2.715 -1.475) 4.256 1.002 ( 1.333 1.190 -4.701) 5.030 1.044 ( -0.110 1.433 -2.906) 3.243 1.149 ( -2.527 -3.055 -0.130) 3.966 1.198 ( -0.921 -0.831 5.352) 5.494 1.323 ( 2.758 -2.015 5.378) 6.371 1.395 ( -5.038 2.673 -2.357) 6.172 1.548 ( 4.564 1.910 2.919) 5.745 1.645 ( 2.448 -2.071 0.397) 3.231 1.823 ( 1.855 4.570 -5.224) 7.184 1.851 ( 2.229 1.829 0.564) 2.938 1.904 ( 2.256 -3.616 1.110) 4.404 1.947 ( -4.423 -3.098 -5.022) 7.375 2.124 ( -3.318 0.667 3.653) 4.979 2.161 ( -0.008 0.013 2.797) 2.797 2.223 ( -1.152 -5.585 0.651) 5.740 2.285 ( 0.397 4.291 2.250) 4.862 2.305 ( -0.965 0.459 0.717) 1.287 2.343 ( -2.612 1.527 -1.508) 3.380 2.463 ( 1.369 -1.175 -0.144) 1.810 2.496 ( -1.693 1.548 -1.725) 2.870 2.626 ( 0.605 0.486 -2.141) 2.277 2.666 ( 2.861 2.414 -5.229) 6.430 2.851 ( 1.839 2.312 3.462) 4.551 2.940 ( -1.263 1.480 2.082) 2.849 3.117 ( 1.729 -3.783 0.381) 4.177 3.208 ( 0.947 0.493 2.876) 3.068 3.277 ( -1.000 0.590 -1.589) 1.968 3.383 ( -0.322 0.282 -4.531) 4.551 3.607 ( 0.841 -0.506 4.258) 4.370 3.789 ( 1.491 0.455 2.229) 2.721 3.943 ( 3.672 -1.645 1.579) 4.323 3.963 ( -2.774 3.114 -0.664) 4.223 4.118 ( -1.522 -0.849 -1.452) 2.269 4.157 ( -2.968 -2.121 -3.734) 5.220 4.283 ( 1.246 -0.502 0.958) 1.650 6.953 ( -0.915 1.490 0.348) 1.783 10.228 ( 1.933 1.393 0.504) 2.435 10.360 ( 3.030 -0.431 -0.514) 3.104 10.479 ( -3.099 -4.163 -2.334) 5.690 10.698 ( -1.016 -3.926 3.350) 5.260 13.152 ( -0.058 -1.051 0.301) 1.095 ======================= Grid point 106 (49/88) ======================= q-point: (-0.43 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( -1.063 1.903 1.269) 2.523 0.906 ( -11.910 3.024 -3.381) 12.745 0.956 ( -1.405 4.836 -0.616) 5.074 1.178 ( -0.756 -2.128 4.055) 4.641 1.214 ( 2.439 3.305 1.751) 4.465 1.319 ( -2.288 -0.247 2.222) 3.199 1.406 ( 2.364 -1.327 1.629) 3.163 1.617 ( 3.788 1.928 5.579) 7.013 1.680 ( -0.480 -2.246 -3.145) 3.895 1.737 ( 0.242 2.493 -4.804) 5.418 1.832 ( -1.874 -0.225 -3.802) 4.245 1.927 ( 0.811 -0.786 -0.389) 1.194 1.974 ( -0.289 -2.528 -1.419) 2.913 2.109 ( -2.255 -1.651 3.110) 4.181 2.216 ( 2.940 5.471 0.616) 6.241 2.251 ( 3.461 0.011 0.706) 3.532 2.284 ( 1.204 -2.767 2.180) 3.723 2.297 ( 0.133 -2.164 -0.983) 2.381 2.320 ( -2.618 -3.913 2.861) 5.509 2.431 ( -2.335 -0.889 -1.853) 3.111 2.483 ( 0.452 1.668 -0.944) 1.969 2.631 ( 2.288 0.820 -1.024) 2.638 2.665 ( 3.062 0.139 -4.523) 5.464 2.865 ( 0.693 2.773 3.176) 4.273 2.929 ( -0.894 -0.263 0.123) 0.940 3.159 ( 1.297 0.821 1.362) 2.052 3.222 ( -2.184 2.014 -2.218) 3.707 3.262 ( 1.534 -0.846 3.154) 3.608 3.315 ( -2.454 1.568 -3.814) 4.799 3.653 ( 0.802 -0.810 3.604) 3.780 3.810 ( -0.715 0.868 1.603) 1.958 3.927 ( 1.551 1.335 2.318) 3.092 4.011 ( 2.029 -2.019 -0.387) 2.889 4.066 ( -3.434 -0.854 -3.530) 4.998 4.125 ( -1.238 -0.533 -1.801) 2.249 4.307 ( 0.391 -0.278 0.314) 0.573 6.936 ( -1.429 -0.509 0.977) 1.804 10.238 ( 0.474 0.109 -0.206) 0.528 10.410 ( 4.480 1.685 -0.072) 4.787 10.453 ( -2.171 -2.420 -3.166) 4.538 10.723 ( -2.590 -1.522 2.549) 3.939 13.161 ( -0.384 -0.950 0.043) 1.025 ======================= Grid point 107 (50/88) ======================= q-point: (-0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.635 ( -3.043 1.187 7.865) 8.516 0.666 ( -11.539 3.586 5.363) 13.220 0.894 ( 1.714 4.377 -1.934) 5.083 1.117 ( -9.085 6.815 12.844) 17.145 1.230 ( 0.792 0.948 -1.403) 1.870 1.387 ( 2.251 -3.735 1.687) 4.676 1.450 ( 2.615 -0.273 -2.046) 3.332 1.641 ( -1.732 -1.916 -5.312) 5.906 1.709 ( 2.576 0.315 1.159) 2.842 1.725 ( 4.083 0.837 1.605) 4.467 1.766 ( -1.924 -0.469 -6.869) 7.149 1.873 ( -7.169 -2.153 -2.504) 7.893 1.975 ( 2.826 1.985 -2.605) 4.326 2.136 ( -0.809 -3.073 3.454) 4.693 2.208 ( 3.193 4.906 -0.494) 5.875 2.280 ( 1.883 2.125 2.272) 3.636 2.337 ( -1.869 -1.480 4.090) 4.734 2.372 ( -1.270 -6.036 -0.825) 6.224 2.386 ( 6.023 -5.788 -2.125) 8.619 2.424 ( -0.133 -3.012 1.227) 3.255 2.465 ( 0.608 0.607 -0.159) 0.874 2.650 ( 2.654 2.207 -2.059) 4.019 2.678 ( 3.061 0.713 -2.757) 4.181 2.849 ( -2.273 0.964 1.819) 3.067 2.935 ( 0.887 -1.895 0.115) 2.095 3.132 ( -3.849 3.370 -0.484) 5.139 3.166 ( 1.418 4.354 1.780) 4.913 3.240 ( -1.376 2.378 -2.388) 3.640 3.309 ( 0.266 -1.704 1.509) 2.292 3.697 ( -0.011 -1.282 0.761) 1.491 3.794 ( -1.283 -0.606 1.890) 2.364 3.985 ( -2.466 -1.652 -1.954) 3.553 3.998 ( 2.417 0.266 -0.085) 2.433 4.050 ( 1.751 0.573 1.550) 2.408 4.098 ( -0.165 0.605 -0.712) 0.949 4.294 ( -1.679 0.667 -1.070) 2.100 6.939 ( -1.257 -1.975 2.406) 3.357 10.242 ( -1.012 -2.099 -0.363) 2.359 10.414 ( -0.975 0.171 -4.551) 4.657 10.449 ( 4.372 3.420 -0.516) 5.574 10.690 ( -3.681 1.094 0.896) 3.943 13.159 ( -0.571 -0.526 -0.526) 0.938 ======================= Grid point 108 (51/88) ======================= q-point: (-0.14 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.608 ( -1.033 2.197 14.656) 14.855 0.667 ( -4.560 0.792 14.388) 15.114 0.903 ( 5.853 1.661 -2.167) 6.459 1.048 ( -5.222 5.102 19.278) 20.614 1.211 ( -0.984 0.231 -1.571) 1.868 1.402 ( -2.354 -2.110 -5.325) 6.193 1.429 ( -2.457 0.482 -4.763) 5.381 1.600 ( -0.062 -0.509 -5.948) 5.970 1.636 ( -4.760 0.682 -9.039) 10.239 1.735 ( 1.661 -1.907 -2.356) 3.457 1.760 ( -1.080 1.260 2.069) 2.652 1.847 ( 0.169 -1.920 -3.492) 3.989 2.032 ( 7.207 0.021 3.379) 7.959 2.180 ( -0.832 -1.122 2.779) 3.111 2.215 ( 3.101 1.020 0.283) 3.277 2.269 ( -1.614 2.473 2.136) 3.644 2.356 ( 0.273 -0.401 1.659) 1.729 2.371 ( -3.110 -3.278 0.105) 4.520 2.434 ( -1.943 -1.004 1.600) 2.710 2.471 ( 0.329 0.902 -2.841) 2.999 2.550 ( 3.775 -2.804 -2.697) 5.421 2.596 ( -0.231 -1.492 -1.969) 2.481 2.716 ( 5.308 2.327 0.753) 5.845 2.868 ( 0.323 -1.465 4.099) 4.365 2.982 ( 0.788 -5.040 -1.233) 5.248 3.050 ( -3.140 1.879 0.440) 3.686 3.130 ( 0.505 7.142 0.871) 7.213 3.198 ( 1.025 1.420 -1.539) 2.331 3.334 ( -0.281 -1.122 1.294) 1.735 3.658 ( -4.376 -0.065 -3.533) 5.625 3.798 ( -2.968 -1.517 0.355) 3.352 3.892 ( -4.750 0.044 -4.661) 6.656 4.062 ( 2.626 -1.321 0.727) 3.028 4.111 ( 5.054 0.722 3.647) 6.274 4.123 ( 3.798 0.818 2.181) 4.456 4.243 ( -2.113 1.192 -0.704) 2.526 6.985 ( 1.406 -2.480 2.973) 4.119 10.237 ( -3.992 -3.562 -1.220) 5.488 10.349 ( 0.224 3.378 -3.840) 5.119 10.465 ( 2.852 2.607 -0.690) 3.925 10.615 ( -3.938 2.133 -0.275) 4.487 13.149 ( -0.440 -0.113 -0.942) 1.046 ======================= Grid point 110 (52/88) ======================= q-point: ( 0.14 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( -2.894 0.000 3.731) 4.722 1.022 ( 1.432 -0.000 1.350) 1.968 1.030 ( -2.425 0.000 -1.423) 2.812 1.094 ( -0.319 0.000 1.338) 1.376 1.135 ( 1.779 -0.000 0.555) 1.864 1.360 ( 7.191 -0.000 3.360) 7.938 1.370 ( -1.736 0.000 -2.873) 3.357 1.494 ( 2.897 -0.000 -2.533) 3.849 1.625 ( 2.752 -0.000 -1.180) 2.994 1.753 ( 0.349 -0.000 3.772) 3.788 1.838 ( 4.017 -0.000 -1.610) 4.327 1.847 ( 6.041 -0.000 -1.353) 6.191 2.062 ( -6.313 0.000 -2.774) 6.895 2.134 ( -6.577 0.000 -2.002) 6.875 2.175 ( 2.515 -0.000 5.869) 6.385 2.230 ( -6.046 0.000 1.563) 6.245 2.319 ( 0.027 -0.000 4.693) 4.693 2.386 ( -4.707 0.000 -2.451) 5.307 2.408 ( -0.421 0.000 -0.916) 1.008 2.426 ( 3.265 -0.000 0.137) 3.268 2.460 ( -3.383 0.000 0.470) 3.416 2.669 ( 4.094 -0.000 -6.484) 7.669 2.821 ( -0.166 0.000 0.066) 0.179 2.899 ( 1.055 -0.000 -1.429) 1.777 2.958 ( -1.043 0.000 4.765) 4.878 3.036 ( -0.760 0.000 0.018) 0.760 3.049 ( -1.032 0.000 1.734) 2.017 3.341 ( -0.758 0.000 1.283) 1.490 3.370 ( 5.727 -0.000 -5.974) 8.276 3.533 ( 1.183 -0.000 4.148) 4.313 3.776 ( 0.123 -0.000 2.867) 2.870 3.826 ( 4.428 -0.000 2.798) 5.238 4.077 ( -2.538 0.000 -0.424) 2.574 4.168 ( -3.256 0.000 -1.825) 3.732 4.169 ( -2.140 0.000 -5.574) 5.970 4.246 ( 2.245 -0.000 0.642) 2.335 7.026 ( -2.249 0.000 -0.318) 2.272 10.208 ( 3.363 -0.000 3.310) 4.719 10.320 ( 0.605 -0.000 -2.939) 3.001 10.439 ( -1.966 0.000 -2.318) 3.040 10.576 ( 1.639 -0.000 3.363) 3.741 13.131 ( 0.090 -0.000 -0.087) 0.125 ======================= Grid point 111 (53/88) ======================= q-point: ( 0.29 0.14 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( -5.239 -0.918 -2.618) 5.928 1.002 ( 2.809 0.240 -5.452) 6.137 1.049 ( 1.469 -3.357 -1.191) 3.853 1.124 ( -0.259 2.370 5.392) 5.895 1.173 ( -1.840 -1.695 4.510) 5.157 1.321 ( 1.009 2.047 1.560) 2.764 1.418 ( -1.871 -0.899 -4.452) 4.912 1.581 ( 6.280 1.034 4.158) 7.603 1.640 ( 1.642 0.565 -1.513) 2.303 1.820 ( 2.614 -2.279 4.227) 5.468 1.870 ( 3.460 -0.044 -6.091) 7.006 1.908 ( 0.798 2.571 -3.099) 4.105 1.923 ( -3.083 -0.433 -2.964) 4.298 2.073 ( -3.091 -3.647 1.210) 4.932 2.130 ( -6.528 0.359 2.953) 7.173 2.237 ( -0.999 3.001 3.576) 4.774 2.289 ( -4.560 -1.022 0.567) 4.707 2.352 ( 1.113 1.195 0.845) 1.839 2.389 ( -0.324 1.199 -1.163) 1.701 2.433 ( 0.733 -0.406 0.029) 0.839 2.492 ( 1.907 -2.176 0.989) 3.058 2.674 ( 3.711 2.881 -5.112) 6.943 2.775 ( 0.394 5.208 -4.623) 6.975 2.892 ( 1.851 3.234 2.508) 4.492 2.971 ( -2.505 0.999 4.027) 4.847 3.031 ( 1.065 -2.401 0.060) 2.627 3.119 ( -0.508 -7.995 1.671) 8.183 3.321 ( -0.511 2.608 0.520) 2.708 3.386 ( 2.427 -0.218 -6.592) 7.028 3.589 ( 0.115 -0.935 5.406) 5.487 3.799 ( 0.925 0.346 2.103) 2.324 3.922 ( 4.416 -0.116 2.820) 5.241 4.024 ( -2.962 1.847 -0.444) 3.519 4.086 ( -3.260 -0.932 -2.821) 4.411 4.112 ( -3.158 -2.019 -4.029) 5.503 4.289 ( 2.624 0.435 0.971) 2.832 6.979 ( -3.181 0.743 0.129) 3.270 10.273 ( 2.661 2.668 1.093) 3.923 10.332 ( 2.863 -2.153 -0.165) 3.586 10.402 ( -1.819 -2.424 -2.795) 4.123 10.641 ( 1.508 -1.386 4.544) 4.984 13.135 ( -0.158 -0.448 0.532) 0.713 ======================= Grid point 112 (54/88) ======================= q-point: (-0.57 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.620 ( -3.660 -2.856 -3.289) 5.689 0.992 ( -2.722 4.343 -3.230) 6.059 1.038 ( -2.430 2.152 -0.110) 3.248 1.138 ( 1.978 -0.162 3.435) 3.967 1.221 ( 1.014 -3.475 5.349) 6.459 1.321 ( -2.959 1.558 -2.452) 4.147 1.375 ( 1.994 -1.436 1.621) 2.944 1.643 ( -0.258 -0.783 -1.660) 1.854 1.660 ( 2.757 1.124 2.613) 3.961 1.759 ( -5.762 -1.536 -5.849) 8.353 1.851 ( 1.278 1.928 -5.909) 6.346 1.927 ( 1.025 -0.867 4.363) 4.565 1.952 ( 3.397 2.530 0.244) 4.243 2.072 ( -3.215 -1.479 1.597) 3.883 2.120 ( -0.471 -4.621 1.223) 4.803 2.224 ( -1.366 -2.367 4.511) 5.274 2.274 ( 0.703 -0.835 -0.767) 1.334 2.353 ( 1.167 3.371 0.439) 3.594 2.361 ( 1.567 3.012 0.606) 3.449 2.426 ( -2.256 0.206 -2.885) 3.668 2.530 ( 1.493 1.299 0.443) 2.028 2.649 ( 2.215 3.230 -1.248) 4.110 2.719 ( 4.237 4.640 -5.916) 8.630 2.907 ( 0.342 1.218 1.978) 2.348 2.932 ( -2.890 0.693 -0.054) 2.972 3.095 ( 1.038 -4.767 1.127) 5.007 3.201 ( 0.100 -5.842 0.964) 5.922 3.283 ( -1.119 3.299 0.545) 3.525 3.358 ( 1.051 1.742 -4.345) 4.798 3.627 ( -1.286 -1.621 3.797) 4.324 3.825 ( 0.395 0.292 1.205) 1.301 3.946 ( -2.124 1.025 -0.395) 2.391 3.994 ( 1.996 0.445 0.996) 2.275 4.040 ( -2.786 -1.617 -1.884) 3.732 4.087 ( -0.825 -2.485 -0.809) 2.740 4.323 ( 2.050 1.216 0.699) 2.484 6.926 ( -3.693 -0.341 0.580) 3.754 10.261 ( 0.107 1.809 -1.309) 2.236 10.386 ( -0.923 -3.799 -2.691) 4.746 10.431 ( 5.590 0.608 2.037) 5.980 10.703 ( 0.532 -0.419 4.724) 4.772 13.142 ( -0.477 -0.718 0.860) 1.218 ======================= Grid point 113 (55/88) ======================= q-point: (-0.43 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.613 ( -0.775 -3.893 0.192) 3.974 0.791 ( -9.195 7.399 1.814) 11.941 0.982 ( -0.962 4.044 -0.691) 4.214 1.204 ( -2.270 0.597 9.134) 9.431 1.269 ( -0.143 1.733 -0.624) 1.847 1.314 ( 1.865 -2.503 1.669) 3.540 1.436 ( 3.318 -1.331 -0.890) 3.685 1.603 ( -2.463 -0.956 -4.693) 5.385 1.696 ( 0.413 -2.969 -1.058) 3.179 1.710 ( -0.362 -0.983 2.586) 2.791 1.785 ( -0.510 3.224 -5.230) 6.165 1.902 ( -3.778 4.306 1.944) 6.049 1.996 ( 3.824 -0.344 -2.294) 4.472 2.078 ( -1.637 -2.493 2.576) 3.941 2.161 ( -2.018 -7.966 0.914) 8.269 2.280 ( -1.423 -2.781 3.034) 4.355 2.309 ( 2.696 -0.880 -1.517) 3.217 2.331 ( 1.454 4.800 -2.446) 5.580 2.365 ( 3.457 1.329 -0.117) 3.705 2.398 ( 1.398 0.350 3.048) 3.371 2.520 ( 1.480 3.928 -0.561) 4.235 2.665 ( 1.854 0.292 0.017) 1.877 2.701 ( 4.756 2.554 -5.865) 7.971 2.859 ( -4.792 -0.346 -1.743) 5.111 2.921 ( 0.319 0.026 1.001) 1.051 3.158 ( 0.119 -2.744 0.330) 2.766 3.223 ( -2.326 3.020 1.001) 3.941 3.249 ( 1.060 -2.555 -2.355) 3.633 3.333 ( 1.039 3.666 0.723) 3.879 3.647 ( -2.076 -3.143 1.215) 3.958 3.801 ( -2.392 0.970 0.359) 2.606 3.938 ( -0.771 -2.576 -0.661) 2.769 3.983 ( -1.629 -0.892 -2.047) 2.764 4.062 ( 3.258 0.551 3.242) 4.629 4.097 ( -0.438 -0.969 0.806) 1.334 4.328 ( 0.775 2.249 -0.390) 2.411 6.893 ( -3.275 -2.190 1.374) 4.172 10.230 ( -1.129 0.596 -1.108) 1.691 10.388 ( -0.021 -2.405 -3.578) 4.311 10.513 ( 5.184 2.776 1.959) 6.198 10.727 ( -0.491 2.078 3.481) 4.083 13.147 ( -0.631 -0.600 0.649) 1.086 ======================= Grid point 114 (56/88) ======================= q-point: (-0.29 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( -0.938 -2.257 6.487) 6.932 0.698 ( -0.058 5.518 11.674) 12.912 0.949 ( 2.426 1.730 -1.442) 3.310 1.177 ( -4.874 4.595 9.146) 11.337 1.249 ( 0.586 4.381 0.705) 4.476 1.338 ( -2.712 -3.402 -0.563) 4.387 1.443 ( -2.156 0.655 -2.217) 3.161 1.552 ( -0.842 -2.398 -6.439) 6.923 1.678 ( -3.051 3.319 -5.623) 7.207 1.713 ( -0.181 -0.913 -0.702) 1.166 1.774 ( 0.713 -1.622 -1.015) 2.042 1.840 ( 1.759 3.394 2.784) 4.729 2.030 ( 4.469 -0.334 -1.086) 4.611 2.105 ( -1.896 -3.703 2.848) 5.042 2.241 ( -1.418 -6.192 1.260) 6.476 2.277 ( -1.187 -2.223 1.176) 2.782 2.299 ( -2.322 -1.628 0.574) 2.893 2.344 ( 2.348 1.547 -0.493) 2.855 2.412 ( 2.242 0.615 0.308) 2.345 2.473 ( 6.169 -1.432 -2.258) 6.724 2.501 ( 2.087 3.100 0.890) 3.841 2.634 ( -4.112 2.226 -3.025) 5.569 2.734 ( 6.117 0.342 -2.806) 6.739 2.816 ( -2.252 -3.365 1.945) 4.492 2.928 ( -0.268 -0.850 -0.900) 1.267 3.115 ( -2.453 3.714 -0.927) 4.546 3.200 ( -0.933 0.314 0.082) 0.988 3.272 ( 2.821 1.759 -0.474) 3.358 3.317 ( -0.109 1.667 1.465) 2.222 3.631 ( -4.341 -2.773 -2.042) 5.541 3.770 ( -1.878 -0.454 1.087) 2.217 3.894 ( -4.177 0.109 -3.473) 5.434 4.007 ( 1.745 -3.318 0.243) 3.757 4.119 ( 1.452 -1.315 0.834) 2.129 4.140 ( 3.906 1.370 4.680) 6.248 4.295 ( -0.200 3.362 -0.895) 3.485 6.907 ( -0.979 -4.282 2.358) 4.985 10.199 ( -2.077 -0.204 -0.407) 2.126 10.375 ( 0.042 -0.546 -4.149) 4.185 10.548 ( 3.203 4.618 0.940) 5.698 10.695 ( -1.349 4.862 1.471) 5.256 13.145 ( -0.473 -0.196 0.086) 0.519 ======================= Grid point 115 (57/88) ======================= q-point: (-0.14 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.716 ( -1.106 1.347 11.191) 11.326 0.809 ( 4.452 3.311 14.000) 15.060 0.977 ( 4.446 0.288 -2.003) 4.885 1.171 ( -1.464 -0.673 3.784) 4.113 1.215 ( 0.798 3.811 4.771) 6.158 1.285 ( -3.735 -0.934 -4.820) 6.169 1.354 ( -4.118 2.572 -3.283) 5.861 1.521 ( -0.344 -0.845 -1.151) 1.469 1.589 ( 0.781 2.406 -4.957) 5.565 1.724 ( 0.720 -1.153 0.278) 1.388 1.758 ( -0.195 1.093 -0.717) 1.321 1.835 ( 0.880 1.641 -4.203) 4.597 2.113 ( -1.803 -3.632 0.126) 4.057 2.148 ( 2.854 -1.899 3.040) 4.582 2.261 ( -0.953 -1.447 0.072) 1.734 2.270 ( -1.884 -0.405 2.432) 3.103 2.330 ( 0.766 -0.911 1.091) 1.615 2.355 ( 0.029 -1.946 0.476) 2.004 2.426 ( 0.643 0.951 -0.917) 1.469 2.462 ( -5.202 2.961 -0.058) 5.986 2.510 ( 0.292 -0.839 -0.769) 1.175 2.604 ( 5.453 -2.303 -4.107) 7.205 2.798 ( 0.076 -2.032 1.389) 2.463 2.857 ( 0.056 -1.619 3.706) 4.045 2.922 ( -0.273 -2.977 -3.221) 4.395 3.043 ( -0.827 2.884 -1.115) 3.201 3.180 ( -0.418 1.369 0.311) 1.465 3.267 ( 2.246 5.774 1.166) 6.304 3.332 ( 1.200 -1.063 -0.373) 1.646 3.556 ( -4.293 -0.066 -2.282) 4.862 3.761 ( -1.879 -0.215 2.267) 2.953 3.799 ( -3.104 0.431 -3.428) 4.645 4.074 ( 1.749 -2.321 1.365) 3.211 4.158 ( 0.538 -2.153 -0.414) 2.257 4.215 ( 3.612 0.710 1.761) 4.081 4.254 ( 0.406 2.860 -0.830) 3.005 6.979 ( 1.078 -5.339 1.367) 5.616 10.166 ( -2.316 0.056 0.656) 2.407 10.348 ( 0.442 0.488 -3.244) 3.310 10.531 ( 1.071 4.763 -0.112) 4.884 10.620 ( -1.523 6.002 0.680) 6.230 13.139 ( -0.109 0.171 -0.413) 0.460 ======================= Grid point 118 (58/88) ======================= q-point: ( 0.29 0.29 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.578 ( -4.935 0.000 -5.429) 7.337 1.045 ( 4.694 -0.000 -1.232) 4.853 1.054 ( -1.703 0.000 2.795) 3.273 1.140 ( 0.011 -0.000 -1.541) 1.541 1.177 ( -2.926 0.000 8.321) 8.820 1.342 ( 1.148 -0.000 0.657) 1.322 1.357 ( -1.696 0.000 -4.828) 5.118 1.640 ( -0.557 0.000 -1.255) 1.373 1.665 ( 1.773 -0.000 2.104) 2.751 1.734 ( -5.189 0.000 -6.524) 8.336 1.861 ( 2.963 -0.000 -8.628) 9.123 1.906 ( -0.548 0.000 5.111) 5.141 2.011 ( 4.656 -0.000 0.212) 4.661 2.069 ( 2.284 -0.000 4.977) 5.475 2.081 ( -3.347 0.000 3.128) 4.581 2.181 ( -5.112 0.000 1.165) 5.243 2.267 ( 0.388 -0.000 -0.039) 0.390 2.369 ( -2.391 0.000 0.287) 2.408 2.395 ( 2.219 -0.000 1.057) 2.458 2.442 ( 0.516 -0.000 -2.213) 2.272 2.525 ( 2.619 -0.000 1.127) 2.851 2.724 ( 5.093 -0.000 -5.553) 7.535 2.783 ( 1.166 -0.000 -3.752) 3.929 2.921 ( -1.153 0.000 -1.825) 2.159 2.972 ( -1.744 0.000 3.538) 3.944 3.034 ( -1.527 0.000 1.292) 2.000 3.078 ( 1.738 -0.000 1.790) 2.495 3.325 ( -1.500 0.000 0.896) 1.747 3.375 ( 2.605 -0.000 -5.209) 5.824 3.604 ( -2.181 0.000 3.810) 4.390 3.825 ( 0.735 -0.000 1.066) 1.294 3.977 ( -4.189 0.000 -3.795) 5.653 4.001 ( -2.237 0.000 0.905) 2.414 4.008 ( 2.451 -0.000 1.985) 3.154 4.055 ( -0.290 0.000 -0.936) 0.980 4.338 ( 2.399 -0.000 0.917) 2.568 6.923 ( -4.730 0.000 0.436) 4.751 10.309 ( -2.345 0.000 -1.782) 2.945 10.313 ( 1.736 -0.000 -2.654) 3.171 10.438 ( 6.545 -0.000 3.189) 7.280 10.700 ( 1.658 -0.000 5.716) 5.952 13.134 ( -0.513 0.000 1.212) 1.316 ======================= Grid point 119 (59/88) ======================= q-point: (-0.57 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.505 ( -1.114 -4.292 -6.143) 7.576 0.934 ( -8.598 5.054 -0.204) 9.976 1.060 ( -1.744 2.754 2.495) 4.105 1.193 ( 0.087 -0.873 6.014) 6.078 1.218 ( -0.254 -3.590 4.769) 5.975 1.319 ( 2.736 0.812 -3.354) 4.404 1.403 ( 5.655 -1.273 -1.461) 5.978 1.605 ( -2.048 0.870 -2.739) 3.529 1.637 ( -2.921 -2.044 -3.280) 4.844 1.693 ( -0.066 -0.547 2.127) 2.197 1.837 ( 1.172 0.307 -6.403) 6.517 1.938 ( -1.127 -2.083 4.872) 5.418 2.026 ( -0.243 4.953 1.172) 5.095 2.058 ( -0.068 1.101 0.520) 1.220 2.087 ( -1.719 -0.659 -0.406) 1.885 2.208 ( -0.056 -3.459 3.720) 5.080 2.288 ( 2.526 -0.712 -2.267) 3.468 2.330 ( -3.584 -2.126 -1.182) 4.332 2.427 ( 3.017 2.736 0.974) 4.187 2.442 ( 2.807 1.530 1.108) 3.384 2.570 ( 2.155 0.471 0.818) 2.352 2.718 ( 2.934 4.109 -3.892) 6.375 2.766 ( 1.003 1.061 -4.293) 4.535 2.868 ( -2.617 2.159 -3.554) 4.914 2.934 ( -0.332 2.418 0.005) 2.441 3.067 ( -0.501 -5.407 2.089) 5.818 3.143 ( 1.096 -5.016 0.268) 5.142 3.294 ( -1.733 2.183 0.391) 2.814 3.386 ( 2.748 1.181 -1.498) 3.346 3.587 ( -3.702 -1.910 1.290) 4.361 3.821 ( -1.797 0.669 -0.244) 1.933 3.897 ( -2.124 -1.099 -2.414) 3.398 3.975 ( -2.097 0.039 0.288) 2.117 4.056 ( 1.158 -0.902 1.384) 2.017 4.084 ( 2.409 0.011 3.171) 3.982 4.366 ( 1.431 1.070 0.193) 1.797 6.858 ( -4.691 -0.915 0.767) 4.840 10.252 ( -1.492 1.113 -2.155) 2.848 10.334 ( 1.149 -2.139 -2.556) 3.526 10.560 ( 6.410 1.394 3.848) 7.605 10.761 ( 1.025 0.932 5.778) 5.942 13.137 ( -0.664 -0.247 1.567) 1.720 ======================= Grid point 120 (60/88) ======================= q-point: (-0.43 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.537 ( 1.669 -8.363 -6.041) 10.451 0.812 ( -2.067 4.840 7.705) 9.331 1.006 ( -1.382 3.604 1.242) 4.055 1.225 ( -3.660 0.376 5.854) 6.914 1.249 ( -1.905 -2.941 2.537) 4.326 1.346 ( 2.457 1.963 -2.563) 4.057 1.450 ( -0.416 0.128 0.328) 0.545 1.544 ( 0.266 1.234 -3.434) 3.659 1.674 ( 3.476 -2.565 -1.153) 4.471 1.721 ( 1.084 -0.622 2.994) 3.244 1.778 ( -0.086 2.850 -4.606) 5.417 1.940 ( -1.631 4.240 3.182) 5.546 2.017 ( 1.813 -0.623 -2.891) 3.469 2.043 ( -2.618 -1.442 1.376) 3.291 2.076 ( -1.070 -4.760 1.265) 5.040 2.239 ( -1.972 -2.386 0.842) 3.208 2.262 ( -3.990 -2.686 -2.137) 5.263 2.354 ( 4.305 -0.625 -1.179) 4.507 2.467 ( 2.482 3.207 1.493) 4.321 2.472 ( 3.238 1.343 1.168) 3.695 2.584 ( 1.915 3.027 0.040) 3.583 2.683 ( -1.341 3.014 -4.510) 5.588 2.729 ( -2.944 -3.075 -0.472) 4.283 2.788 ( 3.713 4.295 -4.380) 7.171 2.920 ( -0.607 -0.041 -0.781) 0.990 3.129 ( -0.325 -4.334 0.806) 4.421 3.196 ( -0.323 -1.407 -0.561) 1.548 3.249 ( 0.085 0.551 -0.714) 0.906 3.391 ( 0.930 3.090 0.822) 3.330 3.561 ( -3.464 -3.198 -0.678) 4.763 3.777 ( -2.168 0.741 0.339) 2.316 3.889 ( -1.195 -0.931 -0.999) 1.815 3.951 ( -0.224 -1.322 -0.408) 1.401 4.079 ( -0.387 -2.015 0.210) 2.062 4.162 ( 3.737 0.752 4.999) 6.286 4.359 ( 0.150 2.343 -0.502) 2.401 6.828 ( -2.590 -2.866 1.249) 4.059 10.209 ( -1.210 0.731 -1.482) 2.048 10.348 ( 0.688 -1.572 -2.756) 3.246 10.640 ( 4.083 3.732 3.084) 6.333 10.787 ( 0.033 3.414 4.486) 5.638 13.142 ( -0.480 -0.107 1.345) 1.432 ======================= Grid point 121 (61/88) ======================= q-point: (-0.29 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.630 ( 1.885 -9.491 -1.084) 9.737 0.882 ( 5.203 3.326 10.845) 12.480 0.998 ( 3.093 1.281 0.781) 3.438 1.173 ( -5.546 0.946 2.729) 6.253 1.248 ( -3.264 -1.659 -0.351) 3.678 1.303 ( -0.351 2.792 -2.584) 3.821 1.414 ( -2.597 2.779 0.187) 3.808 1.553 ( 3.676 3.845 2.168) 5.744 1.660 ( -0.389 3.951 -3.104) 5.040 1.709 ( 0.298 -0.050 1.075) 1.116 1.794 ( 1.638 2.007 -1.274) 2.886 1.894 ( 0.648 4.077 -2.808) 4.993 2.018 ( -2.613 -4.950 -0.412) 5.613 2.078 ( 2.153 -4.733 1.622) 5.447 2.171 ( 0.660 -7.860 2.467) 8.265 2.223 ( -2.451 -3.288 -0.108) 4.103 2.239 ( -2.975 -1.505 1.999) 3.887 2.414 ( 3.832 1.602 -0.142) 4.156 2.458 ( 0.775 2.405 -1.094) 2.753 2.497 ( 1.363 0.428 -2.874) 3.210 2.530 ( -4.576 3.422 -2.370) 6.186 2.604 ( 1.835 1.873 -1.264) 2.911 2.737 ( -2.750 -3.285 1.479) 4.532 2.831 ( 6.041 -0.466 -0.667) 6.095 2.889 ( -2.508 -0.440 -2.087) 3.293 3.122 ( -1.175 3.695 -0.786) 3.957 3.172 ( -1.834 -1.621 -0.028) 2.448 3.289 ( 1.797 -3.041 -0.910) 3.648 3.374 ( 0.744 3.603 1.944) 4.162 3.539 ( -1.502 -1.151 -1.562) 2.453 3.758 ( -1.022 -0.028 1.871) 2.132 3.826 ( -2.581 2.138 -2.751) 4.336 4.013 ( 2.837 -3.259 1.515) 4.579 4.097 ( -0.845 -3.454 -1.167) 3.742 4.236 ( 2.609 1.003 3.482) 4.466 4.320 ( -0.756 3.062 -0.464) 3.188 6.864 ( 0.264 -4.998 1.375) 5.191 10.177 ( -0.903 0.792 -0.420) 1.272 10.345 ( 0.416 -0.581 -2.834) 2.923 10.646 ( 0.896 5.554 1.598) 5.848 10.756 ( -0.912 6.184 2.777) 6.840 13.145 ( -0.085 0.298 0.721) 0.785 ======================= Grid point 122 (62/88) ======================= q-point: (-0.14 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( 0.203 -6.310 2.598) 6.827 1.000 ( 5.796 0.580 1.512) 6.018 1.022 ( 0.174 4.584 5.427) 7.107 1.152 ( -1.523 -1.539 3.834) 4.403 1.201 ( -0.649 1.232 -3.179) 3.470 1.259 ( -0.670 0.027 -3.423) 3.488 1.333 ( 0.002 4.390 0.580) 4.428 1.575 ( 1.692 0.735 -0.512) 1.915 1.612 ( -0.347 3.962 -0.671) 4.033 1.743 ( 2.122 -0.724 1.921) 2.953 1.777 ( 1.252 2.056 -0.428) 2.445 1.852 ( 2.106 3.369 -1.516) 4.253 2.035 ( -0.607 -4.959 0.135) 4.998 2.163 ( -0.695 -3.362 -0.285) 3.445 2.218 ( -1.894 -1.644 1.913) 3.155 2.231 ( -2.622 -3.494 2.377) 4.974 2.282 ( 0.107 -5.839 1.169) 5.956 2.347 ( -5.211 5.252 -2.412) 7.782 2.426 ( -0.079 1.852 -1.010) 2.111 2.444 ( -0.458 0.219 0.028) 0.509 2.542 ( 2.409 1.127 0.478) 2.702 2.620 ( 3.633 -1.406 -4.638) 6.057 2.725 ( -4.315 -3.060 1.758) 5.574 2.833 ( -3.240 -1.067 -2.136) 4.025 2.920 ( 2.549 -1.859 1.118) 3.348 3.067 ( 0.523 3.731 -0.658) 3.824 3.171 ( -0.774 -1.823 1.191) 2.311 3.318 ( -0.211 -0.101 -0.841) 0.873 3.374 ( 2.799 2.755 0.198) 3.932 3.526 ( 0.764 0.744 -0.049) 1.068 3.747 ( -1.286 0.571 0.957) 1.702 3.797 ( 2.374 1.245 1.273) 2.968 4.077 ( -0.556 -2.332 -0.584) 2.468 4.114 ( 0.408 -3.678 -0.775) 3.781 4.259 ( -0.067 1.306 -0.061) 1.309 4.274 ( -0.722 2.631 -0.204) 2.736 6.941 ( 0.917 -5.341 0.579) 5.450 10.165 ( 0.370 0.556 0.813) 1.052 10.336 ( 0.769 0.071 -2.374) 2.497 10.584 ( -1.552 5.718 -0.142) 5.927 10.686 ( -0.956 7.208 2.055) 7.556 13.144 ( 0.199 0.665 0.142) 0.708 ======================= Grid point 126 (63/88) ======================= q-point: ( 0.43 -0.57 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.421 ( 2.030 -0.000 -11.499) 11.676 0.872 ( -4.048 0.000 4.536) 6.079 1.043 ( -3.111 0.000 2.813) 4.194 1.222 ( -0.708 0.000 0.557) 0.900 1.222 ( -3.623 0.000 8.399) 9.147 1.360 ( 4.765 -0.000 -3.878) 6.144 1.449 ( -0.628 0.000 0.596) 0.866 1.568 ( 1.413 -0.000 0.143) 1.421 1.647 ( 8.619 -0.000 -2.193) 8.893 1.698 ( -0.261 0.000 1.255) 1.282 1.804 ( -0.192 0.000 -4.394) 4.399 1.946 ( -1.561 0.000 5.620) 5.833 2.031 ( -3.227 0.000 -2.143) 3.874 2.036 ( -2.071 0.000 -1.805) 2.747 2.095 ( 0.838 -0.000 1.821) 2.005 2.184 ( -2.813 0.000 0.929) 2.963 2.218 ( -3.520 0.000 -3.552) 5.000 2.345 ( 4.590 -0.000 -1.023) 4.703 2.491 ( 0.438 -0.000 2.850) 2.883 2.504 ( 2.981 -0.000 1.186) 3.208 2.611 ( 2.243 -0.000 0.248) 2.257 2.685 ( -4.929 0.000 -2.932) 5.735 2.734 ( 0.841 -0.000 -6.268) 6.324 2.875 ( 2.307 -0.000 -2.717) 3.564 2.956 ( 0.217 -0.000 -2.456) 2.466 3.010 ( -0.542 0.000 0.507) 0.742 3.152 ( 1.145 -0.000 2.498) 2.748 3.280 ( -1.769 0.000 -0.364) 1.806 3.424 ( 1.931 -0.000 -0.497) 1.994 3.524 ( -3.045 0.000 -0.052) 3.045 3.788 ( -2.748 0.000 0.055) 2.749 3.870 ( 1.376 -0.000 -0.157) 1.384 3.945 ( -2.089 0.000 -0.377) 2.123 4.054 ( -0.947 0.000 -0.362) 1.014 4.170 ( 3.724 -0.000 5.102) 6.317 4.384 ( 0.153 -0.000 -0.237) 0.282 6.797 ( -3.115 0.000 0.803) 3.217 10.218 ( -1.231 0.000 -1.991) 2.340 10.328 ( 1.365 -0.000 -2.102) 2.506 10.683 ( 4.438 -0.000 3.886) 5.899 10.824 ( 0.385 -0.000 5.985) 5.997 13.141 ( -0.475 0.000 1.896) 1.955 ======================= Grid point 128 (64/88) ======================= q-point: (-0.43 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.414 ( 3.790 -8.194 -11.751) 14.819 0.912 ( 2.802 0.424 8.697) 9.147 1.041 ( 1.453 1.389 1.086) 2.285 1.184 ( -3.942 -0.620 -1.370) 4.219 1.206 ( -5.136 -0.494 5.059) 7.227 1.352 ( -0.000 1.566 -2.656) 3.083 1.451 ( -0.316 0.592 4.573) 4.622 1.653 ( 6.881 4.859 1.103) 8.495 1.692 ( 0.968 0.391 -0.066) 1.046 1.761 ( 0.575 1.373 -3.321) 3.639 1.796 ( 6.702 -0.981 -2.069) 7.082 1.938 ( -5.285 -1.642 -3.381) 6.485 1.968 ( -1.358 0.091 2.897) 3.200 1.985 ( -3.259 -3.766 -0.215) 4.984 2.080 ( 1.018 2.590 0.526) 2.832 2.169 ( -1.855 -1.629 -0.269) 2.483 2.196 ( -1.117 -3.053 1.470) 3.568 2.417 ( 5.450 -0.260 -0.411) 5.472 2.476 ( -2.703 1.009 -0.289) 2.900 2.511 ( -3.035 -1.285 -0.935) 3.425 2.618 ( -0.732 3.088 -0.860) 3.288 2.637 ( 1.517 0.747 -0.182) 1.700 2.690 ( -0.266 -0.367 -3.832) 3.859 2.873 ( 2.292 2.452 -1.758) 3.789 2.893 ( -2.174 2.722 -2.152) 4.095 3.063 ( -0.292 -6.504 -0.438) 6.525 3.189 ( -0.195 -0.461 1.953) 2.016 3.245 ( -0.510 0.570 -0.905) 1.185 3.418 ( -1.638 0.857 1.164) 2.184 3.522 ( 2.793 -0.391 -1.724) 3.305 3.758 ( -1.412 0.002 1.270) 1.899 3.882 ( -0.516 3.078 -0.921) 3.254 3.947 ( 2.663 -2.985 1.262) 4.195 4.031 ( -2.303 -2.167 -1.555) 3.524 4.251 ( 2.473 0.381 3.660) 4.433 4.368 ( -1.139 1.293 0.063) 1.724 6.789 ( 0.022 -1.913 0.783) 2.067 10.191 ( -0.483 0.392 -1.211) 1.361 10.332 ( 0.783 -0.466 -2.081) 2.272 10.736 ( 0.792 2.471 2.803) 3.820 10.852 ( -0.781 2.507 5.050) 5.692 13.150 ( -0.044 0.157 1.605) 1.614 ======================= Grid point 129 (65/88) ======================= q-point: (-0.29 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.522 ( 3.955 -12.446 -6.104) 14.415 1.021 ( 0.982 0.172 0.116) 1.004 1.067 ( 4.246 -0.754 4.690) 6.371 1.139 ( -0.979 0.347 0.242) 1.066 1.181 ( -3.240 -0.107 5.246) 6.167 1.315 ( -0.119 2.474 -1.204) 2.754 1.452 ( -1.020 6.013 1.930) 6.397 1.602 ( -0.562 2.062 -3.027) 3.705 1.688 ( -2.189 2.987 -1.323) 3.932 1.748 ( 1.104 1.135 -0.592) 1.691 1.802 ( -0.368 -1.033 -4.383) 4.518 1.915 ( 1.658 -2.541 2.597) 3.994 1.958 ( 1.281 3.304 -0.382) 3.564 2.072 ( 3.333 -4.229 0.819) 5.447 2.109 ( -1.077 -5.187 1.192) 5.430 2.190 ( -0.507 -2.363 2.405) 3.410 2.208 ( 0.094 -0.761 1.700) 1.865 2.411 ( -3.695 -0.042 -3.077) 4.808 2.436 ( -2.590 -0.124 -0.165) 2.598 2.518 ( 1.886 0.965 -0.504) 2.178 2.554 ( 2.754 5.390 -0.179) 6.056 2.636 ( 0.047 1.787 -0.604) 1.887 2.678 ( -1.306 -2.005 -1.291) 2.719 2.808 ( -4.820 -0.588 -2.569) 5.494 2.888 ( 1.774 -0.562 0.118) 1.864 3.106 ( -0.907 -3.969 0.099) 4.073 3.159 ( -0.773 3.747 1.251) 4.025 3.270 ( 1.052 -2.936 -1.002) 3.276 3.408 ( -0.489 -0.155 1.395) 1.487 3.550 ( 3.126 1.480 -2.090) 4.041 3.760 ( -0.498 0.394 1.621) 1.740 3.843 ( 2.151 3.205 0.337) 3.875 4.009 ( -3.063 -3.853 -2.396) 5.474 4.042 ( 3.315 -2.938 1.498) 4.676 4.281 ( 0.056 0.763 0.622) 0.986 4.330 ( -1.599 2.310 0.704) 2.896 6.843 ( 2.229 -3.518 0.611) 4.209 10.179 ( 0.355 0.629 -0.246) 0.763 10.331 ( 0.714 -0.484 -2.068) 2.241 10.698 ( -2.623 4.480 1.043) 5.295 10.823 ( -1.795 5.211 3.598) 6.582 13.158 ( 0.301 0.593 0.907) 1.125 ======================= Grid point 130 (66/88) ======================= q-point: (-0.14 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( 1.128 -10.094 -2.634) 10.492 0.996 ( -0.910 -0.954 -1.398) 1.921 1.106 ( -0.025 2.182 -6.050) 6.432 1.180 ( 2.094 -0.305 2.873) 3.568 1.186 ( -1.928 1.063 6.168) 6.549 1.289 ( 1.000 3.677 2.129) 4.365 1.382 ( -0.366 0.206 2.015) 2.058 1.562 ( -3.999 0.079 -4.367) 5.922 1.623 ( 2.976 3.942 1.245) 5.093 1.781 ( 2.593 -1.543 -0.131) 3.021 1.793 ( 1.317 -2.193 -2.949) 3.904 1.923 ( 1.978 5.086 -1.035) 5.554 2.025 ( 1.271 -3.137 4.026) 5.260 2.082 ( -2.346 -1.464 -2.280) 3.584 2.170 ( -2.932 -3.469 2.775) 5.323 2.198 ( 0.290 -3.920 1.944) 4.385 2.267 ( 1.423 -1.501 0.472) 2.121 2.336 ( -2.038 4.531 0.885) 5.046 2.406 ( -2.814 2.618 -0.604) 3.891 2.442 ( 0.050 0.572 -1.457) 1.566 2.574 ( -3.377 2.324 -0.778) 4.173 2.632 ( 4.349 0.153 -3.744) 5.740 2.653 ( -1.632 -0.883 -1.513) 2.394 2.775 ( -0.309 -3.395 1.525) 3.734 2.921 ( -0.126 -1.900 0.950) 2.128 3.120 ( 0.743 1.517 0.616) 1.798 3.158 ( 0.970 -0.814 2.640) 2.928 3.292 ( -0.147 -1.892 -2.073) 2.810 3.409 ( -0.157 0.206 -0.948) 0.982 3.568 ( 2.205 1.012 1.087) 2.659 3.759 ( 0.448 0.635 1.376) 1.580 3.886 ( 4.458 1.987 2.140) 5.329 3.984 ( -3.292 -3.789 -2.112) 5.446 4.113 ( 1.672 -1.811 0.175) 2.471 4.245 ( -2.410 1.427 -2.352) 3.657 4.291 ( -0.769 2.455 0.884) 2.721 6.917 ( 1.714 -3.324 0.352) 3.756 10.189 ( 1.494 0.104 0.576) 1.605 10.337 ( 1.493 -0.372 -1.679) 2.278 10.595 ( -4.057 4.939 -0.841) 6.447 10.755 ( -1.998 6.148 2.764) 7.031 13.159 ( 0.289 0.990 0.321) 1.080 ======================= Grid point 135 (67/88) ======================= q-point: (-0.43 -0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.353 ( 7.129 -0.000 -11.953) 13.918 1.021 ( 2.450 -0.000 5.295) 5.834 1.062 ( -0.666 0.000 0.438) 0.797 1.100 ( -1.974 0.000 -1.336) 2.383 1.215 ( -0.520 0.000 8.459) 8.475 1.341 ( -0.417 0.000 -2.538) 2.572 1.524 ( 2.344 -0.000 4.741) 5.289 1.672 ( -8.329 0.000 -4.489) 9.461 1.697 ( 0.100 -0.000 -7.153) 7.154 1.725 ( 1.467 -0.000 0.729) 1.639 1.791 ( -4.771 0.000 -4.982) 6.898 1.917 ( 6.054 -0.000 -1.449) 6.225 1.938 ( -0.356 0.000 3.305) 3.324 2.026 ( 6.454 -0.000 4.040) 7.614 2.102 ( -1.009 0.000 0.907) 1.357 2.172 ( -1.899 0.000 3.295) 3.803 2.192 ( 4.618 -0.000 -0.052) 4.618 2.393 ( -4.185 0.000 -4.658) 6.262 2.443 ( -5.132 0.000 2.021) 5.516 2.504 ( 5.680 -0.000 1.073) 5.780 2.646 ( -1.282 0.000 -0.164) 1.293 2.649 ( 1.317 -0.000 -0.937) 1.617 2.659 ( 0.759 -0.000 -2.595) 2.704 2.812 ( -6.325 0.000 -1.416) 6.482 2.901 ( -1.097 0.000 -0.994) 1.480 3.028 ( 1.530 -0.000 -0.825) 1.738 3.207 ( 0.337 -0.000 1.802) 1.833 3.234 ( -0.606 0.000 0.390) 0.721 3.399 ( -1.685 0.000 0.418) 1.736 3.569 ( 4.308 -0.000 -2.742) 5.106 3.763 ( 0.438 -0.000 1.861) 1.912 3.907 ( 1.567 -0.000 0.395) 1.616 3.942 ( -3.104 0.000 -2.409) 3.929 4.006 ( 3.361 -0.000 1.451) 3.661 4.289 ( 0.097 -0.000 0.644) 0.652 4.356 ( -1.825 0.000 1.075) 2.118 6.805 ( 2.752 -0.000 0.472) 2.792 10.187 ( 0.511 -0.000 -0.545) 0.747 10.324 ( 0.464 -0.000 -1.941) 1.996 10.748 ( -3.072 0.000 1.513) 3.424 10.881 ( -2.097 0.000 4.432) 4.903 13.165 ( 0.350 -0.000 1.236) 1.284 ======================= Grid point 136 (68/88) ======================= q-point: (-0.29 -0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.440 ( 6.747 -7.754 -6.280) 12.046 0.989 ( -3.258 0.630 0.085) 3.320 1.082 ( -1.190 -3.306 2.702) 4.433 1.170 ( 3.331 -0.476 4.673) 5.758 1.240 ( -3.143 3.756 1.630) 5.162 1.302 ( -0.730 -1.530 -0.327) 1.726 1.457 ( -4.371 4.726 -4.128) 7.647 1.550 ( -4.364 -1.162 -2.663) 5.243 1.695 ( 3.174 -1.813 -4.070) 5.470 1.732 ( 0.658 2.015 -0.453) 2.167 1.768 ( 2.299 -0.588 1.179) 2.650 1.963 ( 0.145 -3.551 2.233) 4.197 1.979 ( 2.418 -0.215 -1.128) 2.677 2.088 ( 0.092 2.778 2.217) 3.555 2.119 ( 2.431 -0.248 -0.615) 2.519 2.161 ( -2.580 -1.003 2.698) 3.866 2.270 ( 3.960 2.509 -0.691) 4.739 2.356 ( 0.987 -2.588 0.234) 2.780 2.380 ( -3.764 -0.903 0.569) 3.913 2.553 ( -0.224 3.731 -1.039) 3.879 2.622 ( -3.712 1.980 -0.468) 4.233 2.637 ( 1.111 -0.371 -1.435) 1.852 2.669 ( 3.632 1.024 1.083) 3.926 2.707 ( -4.720 -1.074 -0.567) 4.874 2.891 ( 0.085 -0.592 0.907) 1.087 3.063 ( 0.901 -3.440 -0.771) 3.639 3.206 ( 0.089 2.170 2.778) 3.526 3.250 ( 0.645 -1.343 -0.603) 1.607 3.382 ( -1.808 -1.757 -0.464) 2.564 3.594 ( 2.410 1.020 -1.517) 3.025 3.779 ( 0.265 1.050 1.444) 1.805 3.883 ( -2.236 -2.149 -1.654) 3.515 3.957 ( 3.827 1.245 1.130) 4.180 4.073 ( 2.628 -1.578 0.501) 3.106 4.264 ( -2.255 0.441 -2.309) 3.257 4.335 ( -1.371 1.251 1.551) 2.418 6.867 ( 3.515 -1.318 0.413) 3.776 10.199 ( 1.636 0.553 0.220) 1.741 10.320 ( 0.637 -0.844 -1.931) 2.202 10.675 ( -5.430 2.178 -0.246) 5.856 10.854 ( -3.261 2.689 3.092) 5.237 13.175 ( 0.403 0.463 0.513) 0.800 ======================= Grid point 137 (69/88) ======================= q-point: (-0.14 -0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.573 ( 3.173 -7.376 -1.666) 8.201 0.951 ( -3.342 -1.649 1.701) 4.096 1.083 ( -6.374 3.015 -4.961) 8.621 1.132 ( -1.729 -4.839 4.416) 6.776 1.222 ( -1.123 2.533 1.175) 3.009 1.331 ( -1.229 -2.501 -2.158) 3.525 1.366 ( 0.159 -0.084 2.582) 2.588 1.527 ( 1.442 0.667 3.053) 3.442 1.717 ( 1.383 3.045 -1.482) 3.658 1.728 ( 2.098 -3.197 -5.465) 6.670 1.820 ( 2.267 -0.662 1.678) 2.897 1.956 ( -0.204 1.402 -3.543) 3.816 2.028 ( -1.331 -0.556 -0.421) 1.502 2.100 ( 3.883 0.703 4.536) 6.013 2.126 ( -2.133 -0.182 3.038) 3.717 2.188 ( 2.360 -2.238 -0.091) 3.254 2.272 ( 0.760 0.201 -0.417) 0.889 2.321 ( -2.976 0.406 1.277) 3.263 2.441 ( 0.064 2.016 -1.960) 2.813 2.456 ( -0.075 4.892 2.146) 5.343 2.510 ( -4.491 1.997 -2.088) 5.340 2.618 ( 0.368 -0.262 -3.392) 3.422 2.674 ( 0.453 1.186 -1.989) 2.360 2.775 ( 2.862 -3.665 3.933) 6.090 2.919 ( 0.844 -0.751 1.228) 1.669 3.110 ( 0.657 -3.477 0.538) 3.580 3.223 ( 0.602 0.485 3.400) 3.487 3.252 ( 0.179 -0.011 -2.427) 2.434 3.363 ( -2.662 -2.033 -2.024) 3.913 3.615 ( 1.631 0.484 1.954) 2.591 3.787 ( 0.646 0.362 2.017) 2.149 3.886 ( -1.060 -3.448 0.301) 3.620 3.999 ( 3.542 2.699 0.203) 4.458 4.110 ( 0.289 -1.234 -1.088) 1.670 4.188 ( -3.175 0.833 -4.197) 5.328 4.315 ( -0.419 1.931 1.334) 2.384 6.925 ( 1.654 -1.037 0.567) 2.033 10.222 ( 1.860 0.815 0.409) 2.071 10.343 ( 2.424 -1.985 -1.338) 3.406 10.557 ( -5.024 2.935 -1.919) 6.127 10.785 ( -3.646 3.683 2.186) 5.625 13.173 ( 0.075 0.888 -0.019) 0.891 ======================= Grid point 143 (70/88) ======================= q-point: (-0.29 -0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.477 ( 7.076 -0.000 -2.059) 7.369 0.951 ( -4.627 0.000 2.050) 5.061 1.027 ( -11.643 0.000 9.200) 14.839 1.169 ( -0.671 0.000 -4.858) 4.904 1.249 ( 2.299 -0.000 3.459) 4.153 1.266 ( -3.555 0.000 -7.184) 8.015 1.369 ( -2.102 0.000 1.484) 2.573 1.549 ( 2.113 -0.000 3.149) 3.792 1.677 ( 3.028 -0.000 -5.608) 6.374 1.769 ( 0.208 -0.000 -2.301) 2.310 1.815 ( 3.237 -0.000 -0.137) 3.240 1.933 ( -0.544 0.000 -0.234) 0.592 2.016 ( 0.878 -0.000 0.417) 0.973 2.128 ( 0.477 -0.000 -2.101) 2.154 2.135 ( -1.756 0.000 2.866) 3.361 2.170 ( 3.956 -0.000 7.291) 8.295 2.310 ( 3.234 -0.000 -3.899) 5.066 2.316 ( -4.538 0.000 0.724) 4.595 2.406 ( 4.355 -0.000 1.166) 4.509 2.527 ( -2.864 0.000 -3.495) 4.519 2.609 ( -2.710 0.000 0.036) 2.711 2.617 ( -0.613 0.000 -2.925) 2.989 2.619 ( -3.347 0.000 2.927) 4.446 2.765 ( 4.227 -0.000 2.265) 4.795 2.913 ( 1.460 -0.000 2.262) 2.692 3.051 ( 1.093 -0.000 -1.409) 1.783 3.210 ( -1.246 0.000 -0.960) 1.573 3.278 ( 1.141 -0.000 3.394) 3.581 3.326 ( -2.705 0.000 -2.074) 3.408 3.623 ( 1.620 -0.000 0.656) 1.748 3.800 ( -0.433 0.000 1.708) 1.762 3.836 ( -0.097 0.000 0.906) 0.911 4.037 ( 3.962 -0.000 -0.311) 3.975 4.088 ( 0.704 -0.000 -1.182) 1.376 4.196 ( -3.387 0.000 -4.375) 5.533 4.338 ( -0.694 0.000 1.480) 1.635 6.914 ( 2.716 -0.000 0.657) 2.794 10.245 ( 3.391 -0.000 0.806) 3.485 10.306 ( 0.536 -0.000 -2.079) 2.147 10.589 ( -6.013 0.000 -1.758) 6.265 10.827 ( -4.577 0.000 1.773) 4.908 13.183 ( 0.138 -0.000 -0.172) 0.221 ======================= Grid point 144 (71/88) ======================= q-point: (-0.14 -0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.580 ( 2.988 -2.101 3.559) 5.100 0.848 ( -16.518 -2.310 1.137) 16.717 0.885 ( -5.109 -1.720 -0.465) 5.411 1.140 ( -9.611 -1.806 7.390) 12.257 1.197 ( 2.325 -0.817 -0.115) 2.467 1.321 ( 4.601 0.521 2.981) 5.507 1.417 ( 4.223 -0.306 -0.512) 4.265 1.609 ( 3.189 0.747 4.465) 5.538 1.698 ( 2.752 -1.492 -4.370) 5.376 1.720 ( -0.839 1.524 -4.691) 5.003 1.837 ( 1.000 0.368 -4.946) 5.060 1.933 ( -0.622 -0.869 0.683) 1.268 1.997 ( -2.598 -0.504 -2.002) 3.318 2.123 ( 1.040 -0.121 0.450) 1.139 2.155 ( 0.919 0.722 3.442) 3.635 2.242 ( -1.856 0.426 -0.133) 1.909 2.301 ( 2.731 -0.387 6.457) 7.022 2.341 ( 5.738 2.012 -3.849) 7.197 2.453 ( 1.150 0.165 -0.648) 1.330 2.473 ( -1.373 2.619 -0.885) 3.087 2.504 ( -3.482 7.303 2.008) 8.336 2.594 ( 1.283 -2.165 -2.771) 3.743 2.647 ( -0.241 -3.413 0.188) 3.426 2.827 ( 2.194 -0.257 1.498) 2.669 2.943 ( 1.022 1.654 1.281) 2.328 3.085 ( 0.949 -4.542 0.483) 4.665 3.170 ( -3.776 -1.819 -1.355) 4.405 3.271 ( -2.093 -0.690 -2.304) 3.188 3.310 ( 0.148 0.934 2.005) 2.217 3.663 ( 2.138 0.187 2.829) 3.551 3.799 ( -1.302 -0.113 1.943) 2.342 3.894 ( 3.637 -1.387 3.963) 5.554 4.053 ( 0.791 1.611 -1.953) 2.653 4.073 ( -2.129 -0.275 -2.691) 3.442 4.119 ( -1.449 -0.447 -4.128) 4.397 4.327 ( -1.178 0.901 -0.020) 1.484 6.945 ( 0.335 0.258 1.392) 1.455 10.268 ( 1.454 3.026 -0.395) 3.380 10.350 ( 3.856 -3.974 -0.779) 5.591 10.486 ( -4.156 0.799 -3.240) 5.330 10.755 ( -5.010 1.075 0.803) 5.187 13.176 ( -0.296 0.442 -0.638) 0.830 ======================= Grid point 151 (72/88) ======================= q-point: (-0.14 -0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.613 ( -13.316 0.000 6.667) 14.892 0.637 ( -2.985 0.000 11.503) 11.884 0.837 ( 2.200 -0.000 -2.601) 3.407 1.026 ( -12.908 0.000 16.179) 20.697 1.220 ( 0.591 -0.000 -0.301) 0.663 1.430 ( 4.480 -0.000 0.212) 4.485 1.454 ( 2.120 -0.000 -3.738) 4.297 1.658 ( -1.728 0.000 -4.986) 5.277 1.696 ( 3.511 -0.000 5.345) 6.395 1.724 ( 4.364 -0.000 -4.496) 6.266 1.774 ( -2.988 0.000 -9.798) 10.243 1.923 ( -3.371 0.000 -3.068) 4.558 1.939 ( 1.185 -0.000 2.055) 2.372 2.145 ( 1.667 -0.000 -0.789) 1.845 2.197 ( -1.232 0.000 2.907) 3.157 2.230 ( 2.563 -0.000 2.815) 3.807 2.340 ( -0.465 0.000 2.313) 2.360 2.435 ( 6.886 -0.000 -3.977) 7.952 2.435 ( -3.167 0.000 1.885) 3.685 2.496 ( -3.558 0.000 -0.914) 3.673 2.539 ( 3.584 -0.000 -0.319) 3.598 2.588 ( 4.504 -0.000 -5.421) 7.048 2.640 ( -0.015 0.000 4.498) 4.498 2.839 ( -0.601 0.000 2.529) 2.599 3.006 ( 2.500 -0.000 0.867) 2.646 3.056 ( -0.013 0.000 0.012) 0.018 3.091 ( -4.330 0.000 1.064) 4.459 3.214 ( -1.572 0.000 -2.705) 3.128 3.335 ( -0.293 0.000 1.995) 2.016 3.705 ( 0.120 -0.000 0.117) 0.168 3.811 ( 1.384 -0.000 2.348) 2.725 3.976 ( 0.139 -0.000 0.149) 0.204 4.017 ( 1.431 -0.000 0.873) 1.676 4.027 ( -1.839 0.000 -0.478) 1.900 4.096 ( 1.013 -0.000 -2.522) 2.718 4.291 ( -3.198 0.000 -1.312) 3.456 6.962 ( -0.144 0.000 2.983) 2.987 10.306 ( 1.559 -0.000 -1.855) 2.424 10.357 ( -0.534 0.000 -1.921) 1.994 10.422 ( 0.611 -0.000 -2.884) 2.948 10.681 ( -5.352 0.000 -0.285) 5.360 13.165 ( -0.538 0.000 -1.058) 1.187 ======================= Grid point 152 (73/88) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( 0.000 -0.000 0.000) 0.000 1.002 ( -0.000 0.000 -0.000) 0.000 1.038 ( 0.000 -0.000 0.000) 0.000 1.102 ( 0.000 -0.000 0.000) 0.000 1.110 ( -0.000 0.000 -0.000) 0.000 1.244 ( 0.000 -0.000 0.000) 0.000 1.392 ( 0.000 -0.000 0.000) 0.000 1.439 ( -0.000 0.000 0.000) 0.000 1.570 ( 0.000 -0.000 0.000) 0.000 1.722 ( 0.000 -0.000 0.000) 0.000 1.754 ( -0.000 0.000 0.000) 0.000 1.781 ( -0.000 0.000 0.000) 0.000 2.124 ( 0.000 -0.000 0.000) 0.000 2.168 ( -0.000 0.000 0.000) 0.000 2.270 ( 0.000 -0.000 0.000) 0.000 2.332 ( 0.000 -0.000 -0.000) 0.000 2.335 ( -0.000 0.000 0.000) 0.000 2.375 ( 0.000 -0.000 0.000) 0.000 2.425 ( 0.000 -0.000 0.000) 0.000 2.500 ( -0.000 0.000 0.000) 0.000 2.514 ( 0.000 -0.000 0.000) 0.000 2.536 ( 0.000 -0.000 -0.000) 0.000 2.839 ( 0.000 -0.000 0.000) 0.000 2.953 ( -0.000 0.000 -0.000) 0.000 2.961 ( 0.000 -0.000 0.000) 0.000 3.047 ( 0.000 -0.000 0.000) 0.000 3.069 ( -0.000 0.000 0.000) 0.000 3.193 ( 0.000 -0.000 0.000) 0.000 3.356 ( 0.000 -0.000 0.000) 0.000 3.516 ( 0.000 -0.000 0.000) 0.000 3.763 ( 0.000 -0.000 0.000) 0.000 3.793 ( 0.000 -0.000 0.000) 0.000 4.125 ( -0.000 0.000 0.000) 0.000 4.170 ( 0.000 -0.000 0.000) 0.000 4.208 ( 0.000 -0.000 0.000) 0.000 4.212 ( 0.000 -0.000 0.000) 0.000 7.050 ( 0.000 -0.000 0.000) 0.000 10.178 ( 0.000 -0.000 0.000) 0.000 10.314 ( -0.000 0.000 0.000) 0.000 10.465 ( -0.000 0.000 0.000) 0.000 10.549 ( -0.000 0.000 0.000) 0.000 13.127 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 154 (74/88) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( -2.256 -1.233 -0.682) 2.660 0.916 ( -2.545 -0.672 -9.436) 9.796 0.946 ( 0.545 0.788 -10.726) 10.769 1.148 ( 0.763 0.328 4.619) 4.693 1.219 ( 2.401 -3.433 7.671) 8.741 1.285 ( 1.755 3.907 1.661) 4.594 1.381 ( 4.511 -2.152 1.332) 5.173 1.472 ( -0.427 -2.171 1.543) 2.697 1.576 ( 1.939 -0.298 -1.914) 2.740 1.719 ( 0.605 -0.409 -2.572) 2.673 1.770 ( 1.730 -0.431 0.169) 1.791 1.801 ( 2.296 0.819 1.644) 2.940 2.121 ( -5.945 -0.556 -3.607) 6.976 2.178 ( 3.754 2.455 4.078) 6.062 2.211 ( -4.333 -1.861 -0.322) 4.727 2.325 ( 0.126 0.587 -1.256) 1.392 2.337 ( -2.977 0.772 1.175) 3.292 2.363 ( 1.623 2.310 0.615) 2.889 2.431 ( -1.781 -1.160 1.388) 2.538 2.473 ( -2.849 2.628 3.348) 5.122 2.517 ( 2.401 0.422 -5.420) 5.943 2.534 ( -0.367 -1.703 1.775) 2.487 2.789 ( -3.539 2.830 -4.509) 6.393 2.883 ( -1.658 3.025 2.341) 4.169 2.996 ( 1.080 3.833 -1.722) 4.338 3.021 ( 1.599 -1.063 3.426) 3.927 3.137 ( -0.426 -6.545 -0.195) 6.561 3.221 ( 2.740 -2.766 -3.545) 5.265 3.349 ( 0.085 1.291 -0.127) 1.300 3.566 ( 3.236 -0.677 4.197) 5.342 3.789 ( 1.412 1.609 1.914) 2.872 3.818 ( 3.127 -1.009 1.997) 3.845 4.094 ( -1.908 1.768 -1.814) 3.171 4.139 ( -2.429 -0.063 -1.138) 2.683 4.189 ( -2.362 -1.011 -2.421) 3.530 4.231 ( 1.186 -1.235 0.350) 1.748 7.024 ( -0.710 2.478 -0.984) 2.759 10.203 ( 2.356 1.023 1.957) 3.229 10.308 ( -0.606 -0.701 0.232) 0.955 10.465 ( -2.002 -3.187 -0.684) 3.826 10.595 ( 2.315 -3.249 1.436) 4.240 13.133 ( 0.288 -0.353 0.440) 0.633 ======================= Grid point 155 (75/88) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( -5.357 2.078 -2.589) 6.302 0.843 ( 3.412 -1.455 -9.884) 10.557 0.941 ( 3.712 -2.046 -6.581) 7.828 1.181 ( -0.706 -0.558 3.053) 3.182 1.272 ( 1.234 -1.461 1.680) 2.545 1.352 ( 1.823 -1.106 5.629) 6.020 1.437 ( -3.398 -1.218 -2.658) 4.483 1.530 ( 5.985 2.538 5.037) 8.224 1.621 ( 2.037 -1.095 3.018) 3.802 1.716 ( 2.036 -0.902 -4.304) 4.845 1.829 ( 4.700 1.299 0.960) 4.970 1.836 ( 1.243 -2.414 -0.924) 2.868 1.969 ( -7.013 0.648 -3.828) 8.016 2.182 ( -2.454 -3.281 1.631) 4.410 2.199 ( 0.055 2.314 -1.236) 2.624 2.283 ( -5.144 2.093 3.237) 6.429 2.333 ( -1.690 1.143 -0.306) 2.063 2.361 ( -0.497 0.786 0.676) 1.150 2.385 ( 0.244 1.796 2.412) 3.017 2.435 ( -0.689 2.272 -0.579) 2.444 2.514 ( 2.926 1.179 -4.790) 5.735 2.563 ( -3.639 -2.136 2.886) 5.112 2.674 ( -1.131 3.558 -1.556) 4.044 2.875 ( 1.274 1.598 1.382) 2.467 2.962 ( 0.289 1.587 -2.674) 3.123 3.089 ( 1.275 -2.552 3.657) 4.638 3.191 ( 0.929 -3.741 -0.227) 3.862 3.250 ( 0.969 -1.765 -3.391) 3.943 3.334 ( 0.029 0.725 -1.083) 1.304 3.648 ( 2.048 0.185 4.414) 4.869 3.801 ( 1.121 1.243 1.198) 2.058 3.909 ( 3.989 -0.735 3.168) 5.146 4.020 ( -2.299 3.066 -1.403) 4.081 4.109 ( -1.445 -1.648 -1.181) 2.490 4.128 ( -3.792 -1.646 -4.319) 5.978 4.270 ( 1.597 -0.895 1.068) 2.120 6.979 ( -0.160 2.704 -1.154) 2.944 10.229 ( 1.614 2.039 0.889) 2.748 10.334 ( 1.345 -1.067 2.402) 2.953 10.457 ( -3.607 -4.553 -1.196) 5.930 10.681 ( 2.315 -3.508 1.619) 4.504 13.147 ( 0.384 -0.454 0.568) 0.822 ======================= Grid point 156 (76/88) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( -2.246 1.148 -1.259) 2.819 0.899 ( 5.940 -1.784 -3.057) 6.915 0.976 ( 3.320 -1.038 -2.548) 4.312 1.173 ( -3.991 -0.461 1.581) 4.317 1.294 ( -2.307 0.993 -0.915) 2.674 1.367 ( 0.213 -0.164 0.620) 0.675 1.401 ( -0.558 -0.768 1.263) 1.580 1.619 ( 4.571 1.771 2.012) 5.299 1.654 ( -0.292 -1.353 1.831) 2.295 1.726 ( -0.548 1.574 -1.241) 2.078 1.778 ( -1.211 -1.418 -4.972) 5.310 1.921 ( -0.264 0.287 2.042) 2.079 1.941 ( 3.710 -1.773 0.959) 4.223 2.174 ( 1.122 1.107 -2.124) 2.645 2.198 ( -3.621 -0.656 1.712) 4.059 2.221 ( -2.324 -3.554 2.194) 4.780 2.291 ( -1.834 0.369 -1.456) 2.371 2.298 ( 0.516 5.482 0.526) 5.531 2.404 ( -0.110 1.577 2.285) 2.778 2.422 ( 0.322 -0.706 -3.316) 3.406 2.497 ( 0.230 1.162 -0.694) 1.373 2.533 ( -0.768 0.437 0.464) 0.998 2.656 ( -0.691 -0.249 0.647) 0.979 2.898 ( 1.845 0.945 0.691) 2.185 2.933 ( -0.593 0.121 -1.631) 1.740 3.157 ( 0.565 -2.219 2.798) 3.615 3.226 ( -0.529 -1.576 -2.877) 3.323 3.254 ( 2.625 1.238 1.659) 3.343 3.313 ( -1.406 -0.537 -1.917) 2.438 3.680 ( 0.190 0.598 1.558) 1.680 3.822 ( 1.365 0.012 0.571) 1.480 3.958 ( -1.393 1.702 -0.247) 2.213 3.982 ( 2.376 -0.017 2.413) 3.386 4.056 ( -2.904 -0.797 -3.401) 4.542 4.112 ( -0.134 -1.179 -0.468) 1.276 4.302 ( 0.726 -0.310 0.691) 1.049 6.953 ( 0.138 1.085 -0.446) 1.181 10.232 ( 0.494 0.744 0.140) 0.904 10.387 ( 3.037 1.364 2.580) 4.212 10.432 ( -3.979 -3.644 -1.813) 5.692 10.743 ( 0.923 -1.461 0.692) 1.861 13.158 ( 0.177 -0.206 0.259) 0.375 ======================= Grid point 161 (77/88) ======================= q-point: ( 0.14 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.770 ( -8.062 0.000 -1.014) 8.126 0.820 ( 3.881 -0.000 -11.370) 12.014 0.918 ( 5.683 -0.000 -8.608) 10.314 1.190 ( -0.237 0.000 2.726) 2.736 1.254 ( 1.384 -0.000 0.388) 1.437 1.356 ( 1.091 -0.000 3.112) 3.298 1.394 ( 0.257 -0.000 2.204) 2.219 1.573 ( 5.845 -0.000 7.680) 9.651 1.602 ( 2.900 -0.000 -0.421) 2.930 1.696 ( 0.509 -0.000 -4.634) 4.662 1.797 ( 1.149 -0.000 -1.063) 1.566 1.876 ( 4.423 -0.000 1.803) 4.777 1.976 ( -7.027 0.000 -3.364) 7.790 2.122 ( -3.958 0.000 0.584) 4.001 2.253 ( -0.932 0.000 0.354) 0.997 2.292 ( -1.202 0.000 -4.739) 4.889 2.324 ( -5.027 0.000 5.887) 7.741 2.384 ( 0.444 -0.000 -1.025) 1.117 2.447 ( 3.458 -0.000 1.660) 3.836 2.454 ( -5.298 0.000 5.787) 7.846 2.490 ( -3.490 0.000 2.496) 4.291 2.539 ( 4.447 -0.000 -4.952) 6.655 2.747 ( -0.529 0.000 -5.109) 5.136 2.899 ( 0.449 -0.000 -0.826) 0.940 3.017 ( -0.231 0.000 -1.067) 1.092 3.064 ( -0.332 0.000 -0.216) 0.396 3.071 ( 0.389 -0.000 4.371) 4.388 3.231 ( 4.062 -0.000 -5.377) 6.739 3.356 ( -0.224 0.000 -0.041) 0.227 3.643 ( 2.022 -0.000 5.089) 5.476 3.820 ( -0.023 0.000 1.011) 1.012 3.901 ( 4.707 -0.000 4.024) 6.192 4.061 ( -1.603 0.000 -2.524) 2.990 4.079 ( -2.455 0.000 -1.036) 2.665 4.104 ( -4.623 0.000 -4.064) 6.156 4.265 ( 2.769 -0.000 1.102) 2.981 7.010 ( -1.400 0.000 -1.394) 1.975 10.287 ( -0.753 0.000 -0.250) 0.794 10.288 ( 4.145 -0.000 3.952) 5.727 10.402 ( -3.172 0.000 -0.791) 3.269 10.644 ( 3.790 -0.000 2.828) 4.729 13.142 ( 0.371 -0.000 0.974) 1.042 ======================= Grid point 162 (78/88) ======================= q-point: ( 0.29 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.638 ( -7.803 -1.762 -2.460) 8.369 0.881 ( 10.934 -0.590 -3.918) 11.630 0.964 ( 6.922 -0.212 -5.984) 9.152 1.178 ( -3.280 0.726 1.475) 3.668 1.286 ( 1.727 -1.066 0.257) 2.046 1.363 ( -4.575 0.422 -1.126) 4.731 1.382 ( -1.345 -0.896 2.565) 3.032 1.641 ( -0.324 -0.031 1.124) 1.170 1.658 ( 3.694 1.793 0.468) 4.133 1.706 ( 1.394 -2.655 -1.675) 3.435 1.738 ( -3.674 -1.616 -4.284) 5.871 1.940 ( 1.848 1.241 1.462) 2.663 1.952 ( 4.422 1.049 2.582) 5.227 2.116 ( -1.225 -1.892 1.956) 2.985 2.207 ( -3.886 1.780 2.412) 4.907 2.236 ( -3.743 1.112 -0.977) 4.025 2.262 ( -1.328 -2.223 -1.184) 2.847 2.402 ( -0.280 -0.523 -1.141) 1.286 2.416 ( -1.975 2.720 2.825) 4.391 2.433 ( -2.048 2.596 2.495) 4.142 2.530 ( 0.484 -1.939 2.292) 3.041 2.565 ( 4.813 1.925 -4.381) 6.787 2.690 ( 0.406 3.350 -3.187) 4.642 2.892 ( 0.090 -0.910 -3.380) 3.501 2.960 ( -0.727 3.890 -0.799) 4.037 3.109 ( -1.057 -4.472 1.358) 4.792 3.125 ( 1.250 -3.853 1.572) 4.345 3.262 ( 4.091 -0.641 -2.786) 4.991 3.338 ( -0.802 1.767 -0.391) 1.979 3.679 ( -1.442 -0.447 2.048) 2.544 3.823 ( 0.675 0.017 -0.054) 0.677 3.974 ( -1.045 0.567 -0.537) 1.305 4.002 ( -0.321 1.059 0.043) 1.107 4.043 ( -1.187 -0.385 -0.564) 1.369 4.065 ( -0.302 -2.230 0.710) 2.360 4.312 ( 2.387 0.608 1.129) 2.710 6.972 ( -1.981 0.555 -0.867) 2.233 10.264 ( -0.109 2.125 -0.355) 2.157 10.352 ( -2.960 -3.583 -0.887) 4.731 10.403 ( 4.474 0.361 4.000) 6.013 10.727 ( 3.448 -0.246 3.130) 4.663 13.155 ( 0.167 -0.079 1.183) 1.198 ======================= Grid point 163 (79/88) ======================= q-point: ( 0.43 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.568 ( -4.721 -6.443 -1.301) 8.093 0.980 ( 1.351 5.276 1.978) 5.794 1.008 ( 0.832 1.938 -2.263) 3.093 1.163 ( 6.099 -2.026 1.008) 6.506 1.287 ( 0.714 0.708 -1.392) 1.717 1.324 ( -2.538 -3.701 -1.210) 4.648 1.393 ( -0.762 -1.823 1.640) 2.568 1.601 ( -3.476 0.230 -2.322) 4.187 1.652 ( -2.165 -1.732 -2.471) 3.714 1.712 ( 3.083 0.851 -0.856) 3.311 1.772 ( -0.151 -1.960 3.796) 4.274 1.946 ( 0.817 2.085 -1.091) 2.491 2.010 ( 1.480 2.738 2.116) 3.763 2.114 ( -2.448 -3.239 1.971) 4.513 2.149 ( -4.243 -0.876 1.573) 4.610 2.209 ( 2.317 0.055 -3.733) 4.394 2.296 ( 1.542 -1.309 2.231) 3.011 2.342 ( -1.890 1.547 -3.744) 4.470 2.397 ( -0.832 1.562 1.776) 2.507 2.427 ( 0.355 1.128 3.759) 3.940 2.547 ( 0.696 2.526 1.829) 3.196 2.569 ( 5.121 4.364 -5.536) 8.713 2.665 ( 1.088 1.393 0.086) 1.770 2.857 ( -2.760 -2.278 -4.252) 5.558 2.931 ( -0.423 0.263 0.066) 0.502 3.144 ( -0.778 -4.260 -1.230) 4.502 3.184 ( 0.670 -2.446 2.207) 3.362 3.287 ( -1.717 2.545 -1.565) 3.446 3.324 ( 3.680 -0.074 0.993) 3.812 3.657 ( -2.528 -1.284 -0.980) 3.000 3.824 ( -0.806 0.212 -1.159) 1.428 3.913 ( -1.866 -2.054 -2.148) 3.509 3.998 ( -1.702 1.238 0.102) 2.107 4.069 ( 2.438 0.034 3.156) 3.988 4.104 ( 0.896 -1.080 2.390) 2.772 4.331 ( 1.169 1.769 -0.082) 2.122 6.933 ( -2.661 -0.719 -0.053) 2.757 10.234 ( -0.917 0.977 -0.896) 1.612 10.341 ( -1.926 -2.951 -1.123) 3.698 10.497 ( 5.644 2.452 3.386) 7.024 10.783 ( 2.066 1.896 2.266) 3.605 13.163 ( -0.187 0.192 0.894) 0.933 ======================= Grid point 164 (80/88) ======================= q-point: (-0.43 0.14 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( -0.859 -10.618 0.771) 10.681 0.915 ( -2.765 4.740 8.511) 10.126 0.983 ( -0.345 2.331 0.545) 2.418 1.223 ( 1.549 2.739 -1.462) 3.470 1.302 ( -0.813 -0.167 -3.688) 3.781 1.365 ( -0.066 -0.442 0.150) 0.472 1.409 ( 4.446 -2.830 0.450) 5.290 1.513 ( -4.054 1.075 -2.426) 4.846 1.666 ( 0.427 0.826 -0.195) 0.950 1.689 ( -1.989 -0.863 -0.563) 2.240 1.802 ( -1.615 -1.298 1.847) 2.776 1.917 ( -1.705 3.163 -0.923) 3.710 1.982 ( 2.422 3.532 3.113) 5.295 2.118 ( -2.492 -3.263 -0.170) 4.109 2.181 ( -0.482 -8.146 0.422) 8.171 2.241 ( 3.425 -1.851 -2.952) 4.886 2.290 ( 0.437 0.795 -1.015) 1.362 2.364 ( 1.424 -1.019 3.663) 4.060 2.382 ( -1.111 1.108 -0.325) 1.602 2.417 ( 1.276 4.050 -0.975) 4.357 2.541 ( 0.499 3.315 2.594) 4.239 2.588 ( 6.684 1.719 -2.475) 7.332 2.663 ( -0.043 1.130 -1.158) 1.618 2.818 ( -3.092 -4.171 -1.657) 5.450 2.928 ( -0.828 -1.266 -0.002) 1.513 3.150 ( -0.242 0.341 -2.003) 2.046 3.202 ( -2.077 0.622 -1.245) 2.500 3.251 ( 0.663 -1.557 1.673) 2.379 3.366 ( 1.244 2.059 2.055) 3.164 3.621 ( -2.914 -2.066 -2.791) 4.533 3.789 ( -1.465 0.195 -1.286) 1.959 3.919 ( -2.508 -1.013 -0.885) 2.846 3.960 ( 0.439 -1.258 -0.136) 1.339 4.108 ( -0.139 -1.296 0.691) 1.475 4.164 ( 3.481 1.305 4.711) 6.001 4.313 ( 0.485 2.831 -0.951) 3.026 6.915 ( -2.308 -2.970 0.604) 3.810 10.207 ( -1.273 -0.205 -1.013) 1.640 10.333 ( -0.856 -1.082 -1.328) 1.915 10.560 ( 4.881 4.829 2.207) 7.212 10.777 ( 0.447 4.965 0.815) 5.051 13.158 ( -0.404 0.606 0.345) 0.806 ======================= Grid point 165 (81/88) ======================= q-point: (-0.29 0.14 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( 1.285 -11.931 1.823) 12.138 0.916 ( -0.075 3.831 5.889) 7.026 1.006 ( 1.692 1.774 8.519) 8.865 1.190 ( 0.004 2.634 -2.300) 3.496 1.245 ( -0.687 1.048 -3.923) 4.118 1.286 ( -3.791 2.228 -4.794) 6.505 1.395 ( -4.127 1.561 -4.804) 6.523 1.546 ( 4.485 2.424 5.400) 7.427 1.578 ( -2.322 1.503 -2.188) 3.527 1.726 ( -0.224 -0.319 2.324) 2.357 1.787 ( -1.672 0.515 1.193) 2.118 1.828 ( -1.930 3.834 -1.467) 4.536 2.082 ( 1.442 -4.072 1.185) 4.479 2.114 ( 0.583 -3.004 0.072) 3.061 2.252 ( 0.542 -2.744 0.870) 2.929 2.285 ( 0.377 -4.261 -1.216) 4.447 2.295 ( -0.679 -2.038 -2.564) 3.345 2.335 ( 3.064 2.811 -0.678) 4.213 2.421 ( 0.883 -1.428 1.247) 2.091 2.427 ( 2.663 -0.448 -0.301) 2.717 2.530 ( -1.150 2.241 2.072) 3.261 2.571 ( -2.929 1.835 -2.125) 4.057 2.727 ( 7.813 -1.423 1.416) 8.067 2.828 ( -0.084 -3.362 -1.295) 3.604 2.927 ( -2.844 -2.590 0.961) 3.965 3.082 ( -1.717 4.241 -1.938) 4.969 3.184 ( -0.291 -0.506 -0.644) 0.869 3.294 ( 1.082 -1.014 1.435) 2.064 3.350 ( -0.603 4.095 1.772) 4.503 3.567 ( -3.209 -1.008 -3.266) 4.688 3.767 ( -0.280 -0.178 -1.107) 1.156 3.838 ( -4.173 1.108 -1.960) 4.742 4.035 ( 2.551 -3.533 2.246) 4.902 4.120 ( -0.424 -1.908 -0.536) 2.027 4.226 ( 2.582 1.816 2.994) 4.351 4.279 ( 0.220 3.288 -0.573) 3.344 6.940 ( -0.787 -4.943 0.734) 5.059 10.185 ( -1.178 -0.455 -0.881) 1.540 10.320 ( -0.259 0.141 -0.911) 0.957 10.571 ( 2.615 6.184 1.024) 6.792 10.712 ( -0.551 7.139 -0.204) 7.163 13.146 ( -0.309 0.835 -0.041) 0.891 ======================= Grid point 166 (82/88) ======================= q-point: (-0.14 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( 0.000 -10.775 -0.000) 10.775 0.902 ( -0.000 3.828 0.000) 3.828 1.044 ( -0.000 4.114 -0.000) 4.114 1.145 ( -0.000 2.016 0.000) 2.016 1.168 ( 0.000 4.846 0.000) 4.846 1.282 ( 0.000 -6.189 0.000) 6.189 1.287 ( -0.000 4.044 0.000) 4.044 1.525 ( 0.000 3.294 0.000) 3.294 1.593 ( 0.000 2.208 0.000) 2.208 1.724 ( -0.000 0.306 0.000) 0.306 1.773 ( -0.000 0.582 0.000) 0.582 1.774 ( 0.000 2.075 -0.000) 2.075 2.084 ( 0.000 -3.475 0.000) 3.475 2.192 ( 0.000 -0.466 0.000) 0.466 2.259 ( 0.000 -0.760 0.000) 0.760 2.311 ( 0.000 -2.227 0.000) 2.227 2.333 ( 0.000 -1.690 -0.000) 1.690 2.351 ( 0.000 -0.709 0.000) 0.709 2.447 ( 0.000 0.473 0.000) 0.473 2.469 ( 0.000 -2.219 0.000) 2.219 2.476 ( -0.000 -0.600 0.000) 0.600 2.544 ( 0.000 0.406 0.000) 0.406 2.842 ( 0.000 -0.331 0.000) 0.331 2.858 ( -0.000 -4.660 -0.000) 4.660 2.916 ( -0.000 -3.753 0.000) 3.753 3.023 ( 0.000 2.666 0.000) 2.666 3.175 ( 0.000 1.456 0.000) 1.456 3.283 ( 0.000 7.512 0.000) 7.512 3.331 ( 0.000 -1.982 0.000) 1.982 3.526 ( 0.000 0.338 0.000) 0.338 3.760 ( 0.000 0.217 0.000) 0.217 3.789 ( 0.000 -0.282 0.000) 0.282 4.102 ( 0.000 -2.126 0.000) 2.126 4.135 ( 0.000 -2.775 0.000) 2.775 4.235 ( 0.000 2.623 0.000) 2.623 4.249 ( 0.000 2.289 0.000) 2.289 6.993 ( 0.000 -4.889 0.000) 4.889 10.173 ( -0.000 -0.274 0.000) 0.274 10.314 ( -0.000 0.093 0.000) 0.093 10.530 ( -0.000 5.575 0.000) 5.575 10.628 ( -0.000 6.792 0.000) 6.792 13.135 ( 0.000 0.716 0.000) 0.716 ======================= Grid point 170 (83/88) ======================= q-point: ( 0.29 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.484 ( -8.000 0.000 -2.839) 8.489 1.034 ( 4.974 -0.000 -4.303) 6.577 1.073 ( 13.165 -0.000 3.377) 13.591 1.112 ( -3.899 0.000 0.487) 3.929 1.268 ( -2.544 0.000 -3.750) 4.531 1.301 ( -2.337 0.000 -1.665) 2.870 1.361 ( -0.951 0.000 3.080) 3.223 1.621 ( -1.427 0.000 -1.241) 1.891 1.622 ( -3.249 0.000 -4.010) 5.162 1.720 ( 3.525 -0.000 -0.644) 3.583 1.738 ( -1.107 0.000 4.670) 4.799 1.962 ( 0.791 -0.000 -0.185) 0.812 2.023 ( 2.596 -0.000 0.285) 2.612 2.105 ( -2.018 0.000 -0.242) 2.032 2.177 ( -3.919 0.000 4.004) 5.603 2.219 ( 0.178 -0.000 -1.837) 1.846 2.258 ( 0.789 -0.000 5.009) 5.071 2.326 ( -4.188 0.000 -5.662) 7.043 2.428 ( 0.705 -0.000 0.742) 1.023 2.454 ( 0.268 -0.000 3.398) 3.409 2.565 ( 2.013 -0.000 2.287) 3.046 2.621 ( 4.372 -0.000 -2.952) 5.275 2.698 ( 2.067 -0.000 -4.052) 4.549 2.840 ( -1.744 0.000 -4.693) 5.006 2.966 ( -1.798 0.000 -2.366) 2.971 3.040 ( -1.012 0.000 -0.180) 1.028 3.157 ( 0.477 -0.000 4.092) 4.120 3.309 ( 4.557 -0.000 -1.161) 4.703 3.328 ( -1.352 0.000 -0.966) 1.662 3.641 ( -3.349 0.000 -0.202) 3.355 3.828 ( 0.101 -0.000 -0.760) 0.767 3.888 ( -3.300 0.000 -3.789) 5.024 4.022 ( -2.367 0.000 0.997) 2.568 4.054 ( 1.345 -0.000 1.967) 2.382 4.096 ( 2.920 -0.000 4.230) 5.140 4.352 ( 1.569 -0.000 0.197) 1.581 6.925 ( -3.755 0.000 -0.262) 3.764 10.267 ( -3.132 0.000 -1.519) 3.481 10.284 ( 0.612 -0.000 -0.114) 0.622 10.525 ( 6.535 -0.000 4.026) 7.676 10.805 ( 3.182 -0.000 3.532) 4.754 13.165 ( -0.191 0.000 1.408) 1.421 ======================= Grid point 171 (84/88) ======================= q-point: ( 0.43 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.393 ( -5.964 -8.230 -2.615) 10.495 0.978 ( -3.754 1.319 2.574) 4.738 1.086 ( -0.594 6.737 0.218) 6.767 1.231 ( 0.341 -5.302 -0.597) 5.347 1.264 ( 1.243 0.568 -1.370) 1.935 1.335 ( 10.154 -1.813 0.189) 10.316 1.381 ( 0.430 -0.009 2.241) 2.282 1.549 ( -2.117 1.702 -1.948) 3.343 1.600 ( -1.118 -2.548 0.805) 2.896 1.741 ( 0.541 1.432 -1.292) 2.003 1.759 ( -1.761 -2.073 2.826) 3.923 1.969 ( 1.292 1.505 -1.949) 2.781 2.033 ( -0.403 -1.462 -0.862) 1.745 2.078 ( -2.714 -1.081 2.243) 3.683 2.120 ( -3.890 5.243 1.174) 6.633 2.207 ( 0.936 -1.216 -2.725) 3.127 2.269 ( 0.922 -1.165 -2.483) 2.893 2.298 ( -3.493 -4.084 3.800) 6.582 2.446 ( 4.059 2.601 -2.155) 5.281 2.498 ( 1.917 1.959 3.662) 4.574 2.596 ( 0.906 1.305 1.556) 2.224 2.638 ( 2.616 2.015 -2.502) 4.143 2.709 ( 1.623 -1.451 -1.076) 2.429 2.756 ( -2.223 3.148 -5.360) 6.602 2.917 ( -0.812 0.709 -1.310) 1.696 3.065 ( -0.558 -5.909 -1.058) 6.029 3.198 ( 0.298 -1.355 3.283) 3.564 3.276 ( -1.658 2.802 -2.177) 3.917 3.373 ( 3.159 -1.104 0.004) 3.347 3.588 ( -3.836 -0.730 -0.490) 3.935 3.804 ( -1.144 1.066 -1.048) 1.883 3.866 ( 0.400 -2.425 -0.257) 2.471 3.975 ( -3.108 1.172 -0.414) 3.347 4.074 ( -0.803 -1.422 0.391) 1.679 4.182 ( 3.617 0.429 4.933) 6.132 4.361 ( 1.016 1.339 -0.752) 1.841 6.870 ( -4.061 -1.202 0.198) 4.239 10.214 ( -1.684 0.618 -1.246) 2.184 10.302 ( 0.348 -1.331 -0.323) 1.413 10.638 ( 6.084 2.144 2.995) 7.112 10.858 ( 2.049 2.249 2.623) 4.017 13.168 ( -0.415 0.284 1.081) 1.193 ======================= Grid point 172 (85/88) ======================= q-point: (-0.43 0.29 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.453 ( -1.956 -15.761 -0.510) 15.890 0.999 ( 1.460 -0.950 7.193) 7.401 1.010 ( -0.897 4.531 1.068) 4.741 1.204 ( -2.820 -1.169 -4.392) 5.349 1.297 ( 1.357 1.828 -1.057) 2.509 1.315 ( -3.673 1.452 -1.177) 4.121 1.476 ( 2.500 5.291 -1.996) 6.183 1.535 ( 3.899 -1.291 4.574) 6.147 1.673 ( 0.620 3.472 -1.752) 3.938 1.689 ( 1.841 -1.607 3.190) 4.018 1.768 ( -0.937 -2.103 -0.760) 2.424 1.938 ( -0.839 3.929 -0.385) 4.036 2.014 ( -3.715 -0.295 -2.008) 4.233 2.058 ( -0.484 -1.694 1.414) 2.259 2.102 ( -0.150 -6.454 1.171) 6.561 2.217 ( -1.338 -2.892 -0.791) 3.283 2.263 ( -1.046 -1.680 -1.916) 2.755 2.351 ( 2.796 -2.265 2.478) 4.369 2.454 ( 2.818 2.622 -2.123) 4.396 2.491 ( 0.693 5.443 0.940) 5.566 2.594 ( -4.304 2.926 -2.826) 5.922 2.601 ( 0.361 1.511 0.897) 1.794 2.703 ( 2.300 -2.763 -1.901) 4.067 2.763 ( 3.767 0.414 1.592) 4.111 2.897 ( -1.474 -0.559 -0.776) 1.757 3.115 ( 0.410 -4.784 -1.150) 4.938 3.193 ( -1.532 4.445 -1.295) 4.876 3.246 ( 0.429 -2.595 1.035) 2.827 3.413 ( 1.278 0.956 0.896) 1.831 3.536 ( -3.416 -1.175 -0.927) 3.730 3.776 ( -0.262 0.732 -0.280) 0.826 3.868 ( -3.172 1.679 -1.259) 3.804 3.962 ( 2.309 -3.065 1.590) 4.154 4.070 ( -1.947 -2.512 -1.015) 3.336 4.253 ( 2.374 0.827 3.031) 3.938 4.347 ( 0.694 2.673 -0.637) 2.834 6.846 ( -2.313 -3.468 0.360) 4.184 10.184 ( -0.777 0.281 -0.741) 1.110 10.312 ( 0.045 -0.643 -0.405) 0.761 10.692 ( 3.490 4.769 1.520) 6.102 10.852 ( 0.734 5.454 1.067) 5.606 13.163 ( -0.327 0.708 0.459) 0.905 ======================= Grid point 173 (86/88) ======================= q-point: (-0.29 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.614 ( 0.000 -16.207 0.000) 16.207 0.974 ( 0.000 3.304 0.000) 3.304 1.115 ( -0.000 -4.423 -0.000) 4.423 1.126 ( 0.000 2.028 0.000) 2.028 1.240 ( 0.000 2.389 0.000) 2.389 1.271 ( 0.000 4.118 0.000) 4.118 1.412 ( 0.000 7.755 0.000) 7.755 1.560 ( 0.000 0.525 0.000) 0.525 1.661 ( 0.000 4.302 0.000) 4.302 1.730 ( -0.000 0.036 0.000) 0.036 1.776 ( 0.000 -1.601 0.000) 1.601 1.860 ( -0.000 6.354 0.000) 6.354 1.997 ( 0.000 -4.501 0.000) 4.501 2.109 ( -0.000 -5.787 0.000) 5.787 2.201 ( -0.000 -8.450 0.000) 8.450 2.227 ( 0.000 -3.234 0.000) 3.234 2.262 ( 0.000 -1.124 0.000) 1.124 2.425 ( -0.000 -0.564 -0.000) 0.564 2.444 ( 0.000 6.701 -0.000) 6.701 2.445 ( -0.000 0.661 0.000) 0.661 2.492 ( 0.000 0.815 0.000) 0.815 2.587 ( -0.000 2.681 0.000) 2.681 2.771 ( -0.000 -5.887 0.000) 5.887 2.817 ( 0.000 0.083 0.000) 0.083 2.870 ( -0.000 -0.635 0.000) 0.635 3.107 ( 0.000 4.729 0.000) 4.729 3.168 ( 0.000 -2.152 0.000) 2.152 3.282 ( -0.000 -2.669 0.000) 2.669 3.402 ( 0.000 3.487 0.000) 3.487 3.515 ( 0.000 -1.139 0.000) 1.139 3.783 ( 0.000 -0.350 0.000) 0.350 3.792 ( -0.000 2.880 0.000) 2.880 4.046 ( 0.000 -2.897 0.000) 2.897 4.066 ( 0.000 -3.806 0.000) 3.806 4.273 ( 0.000 1.162 0.000) 1.162 4.317 ( 0.000 3.541 0.000) 3.541 6.879 ( 0.000 -5.262 0.000) 5.262 10.173 ( -0.000 0.219 0.000) 0.219 10.314 ( -0.000 -0.159 0.000) 0.159 10.664 ( -0.000 6.437 0.000) 6.437 10.790 ( 0.000 7.662 0.000) 7.662 13.153 ( 0.000 0.948 0.000) 0.948 ======================= Grid point 179 (87/88) ======================= q-point: ( 0.43 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.216 ( -6.230 0.000 -3.317) 7.058 0.988 ( 0.740 -0.000 4.780) 4.837 1.074 ( -2.443 0.000 -0.105) 2.446 1.177 ( -3.150 0.000 -4.101) 5.171 1.308 ( 3.483 -0.000 -0.418) 3.508 1.338 ( -3.395 0.000 0.046) 3.395 1.519 ( 5.265 -0.000 3.886) 6.544 1.581 ( 2.735 -0.000 0.409) 2.765 1.598 ( 6.537 -0.000 2.414) 6.968 1.731 ( -1.291 0.000 0.810) 1.524 1.752 ( 0.648 -0.000 -0.369) 0.745 1.946 ( -5.178 0.000 -4.459) 6.833 1.986 ( 0.474 -0.000 -1.694) 1.759 2.047 ( -2.592 0.000 2.329) 3.485 2.126 ( -0.692 0.000 -0.647) 0.948 2.189 ( -6.797 0.000 -0.059) 6.798 2.206 ( 0.410 -0.000 1.425) 1.483 2.320 ( 5.441 -0.000 0.347) 5.452 2.498 ( 3.234 -0.000 -2.885) 4.334 2.527 ( -3.178 0.000 -0.057) 3.179 2.619 ( 0.143 -0.000 0.903) 0.914 2.639 ( -2.005 0.000 -0.929) 2.210 2.656 ( 0.432 -0.000 -0.688) 0.813 2.812 ( 5.151 -0.000 -1.770) 5.447 2.910 ( -0.128 0.000 -1.525) 1.531 3.011 ( -0.732 0.000 0.198) 0.758 3.211 ( 0.071 -0.000 1.753) 1.754 3.258 ( -1.152 0.000 -1.477) 1.873 3.408 ( 3.013 -0.000 -0.695) 3.092 3.528 ( -4.017 0.000 0.871) 4.111 3.786 ( -1.344 0.000 -0.374) 1.395 3.891 ( 3.405 -0.000 2.000) 3.949 3.927 ( -2.817 0.000 -1.203) 3.063 4.037 ( -2.572 0.000 -1.229) 2.851 4.262 ( 2.307 -0.000 3.009) 3.791 4.377 ( 0.786 -0.000 -0.582) 0.978 6.809 ( -2.907 0.000 0.203) 2.914 10.189 ( -0.893 0.000 -0.745) 1.163 10.303 ( 0.520 -0.000 -0.101) 0.530 10.746 ( 3.860 -0.000 1.708) 4.221 10.913 ( 1.159 -0.000 1.618) 1.991 13.171 ( -0.332 0.000 0.684) 0.760 ======================= Grid point 180 (88/88) ======================= q-point: (-0.43 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.255 ( -0.000 -16.336 0.000) 16.336 1.042 ( -0.000 2.876 0.000) 2.876 1.049 ( 0.000 -1.546 -0.000) 1.546 1.120 ( 0.000 -1.734 0.000) 1.734 1.292 ( -0.000 1.726 0.000) 1.726 1.323 ( -0.000 0.993 0.000) 0.993 1.561 ( 0.000 -0.077 0.000) 0.077 1.577 ( 0.000 6.541 0.000) 6.541 1.717 ( 0.000 -2.691 0.000) 2.691 1.724 ( 0.000 -0.530 0.000) 0.530 1.766 ( 0.000 4.988 0.000) 4.988 1.873 ( -0.000 -4.465 0.000) 4.465 1.994 ( 0.000 -5.467 0.000) 5.467 2.048 ( -0.000 8.248 0.000) 8.248 2.057 ( -0.000 -3.373 0.000) 3.373 2.164 ( 0.000 -2.739 0.000) 2.739 2.232 ( 0.000 -2.242 0.000) 2.242 2.402 ( 0.000 -0.636 0.000) 0.636 2.456 ( 0.000 -0.115 0.000) 0.115 2.507 ( -0.000 0.620 0.000) 0.620 2.598 ( 0.000 4.851 0.000) 4.851 2.626 ( 0.000 0.888 0.000) 0.888 2.670 ( -0.000 -2.661 0.000) 2.661 2.860 ( 0.000 -0.346 0.000) 0.346 2.861 ( -0.000 4.371 -0.000) 4.371 3.053 ( 0.000 -6.465 0.000) 6.465 3.222 ( 0.000 3.680 -0.000) 3.680 3.229 ( -0.000 -1.859 0.000) 1.859 3.436 ( 0.000 0.178 0.000) 0.178 3.496 ( 0.000 -0.510 0.000) 0.510 3.775 ( 0.000 -0.307 0.000) 0.307 3.869 ( 0.000 3.995 0.000) 3.995 3.979 ( 0.000 -4.130 0.000) 4.130 3.997 ( -0.000 -1.423 0.000) 1.423 4.288 ( 0.000 0.375 0.000) 0.375 4.373 ( -0.000 1.499 0.000) 1.499 6.798 ( 0.000 -2.103 0.000) 2.103 10.178 ( -0.000 0.205 0.000) 0.205 10.308 ( -0.000 -0.238 0.000) 0.238 10.767 ( -0.000 2.806 0.000) 2.806 10.911 ( 0.000 3.240 0.000) 3.240 13.169 ( 0.000 0.440 0.000) 0.440 =================== 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 3/12348 10.0 22.998 31.026 32.813 0.000 -0.458 0.000 3/12348 20.0 5.738 5.889 7.755 0.000 0.642 0.000 3/12348 30.0 2.790 2.606 3.662 0.000 0.425 0.000 3/12348 40.0 1.814 1.639 2.343 0.000 0.300 0.000 3/12348 50.0 1.353 1.206 1.729 0.000 0.231 0.000 3/12348 60.0 1.087 0.962 1.378 0.000 0.188 0.000 3/12348 70.0 0.913 0.805 1.150 0.000 0.159 0.000 3/12348 80.0 0.791 0.695 0.990 0.000 0.139 0.000 3/12348 90.0 0.699 0.614 0.872 0.000 0.123 0.000 3/12348 100.0 0.627 0.550 0.780 0.000 0.110 0.000 3/12348 110.0 0.570 0.500 0.706 0.000 0.100 0.000 3/12348 120.0 0.523 0.458 0.646 0.000 0.092 0.000 3/12348 130.0 0.484 0.424 0.596 0.000 0.085 0.000 3/12348 140.0 0.450 0.395 0.554 0.000 0.079 0.000 3/12348 150.0 0.421 0.369 0.517 0.000 0.073 0.000 3/12348 160.0 0.396 0.347 0.485 0.000 0.069 0.000 3/12348 170.0 0.374 0.328 0.457 0.000 0.065 0.000 3/12348 180.0 0.354 0.311 0.433 0.000 0.061 0.000 3/12348 190.0 0.336 0.295 0.411 0.000 0.058 0.000 3/12348 200.0 0.320 0.281 0.391 0.000 0.055 0.000 3/12348 210.0 0.306 0.269 0.373 0.000 0.052 0.000 3/12348 220.0 0.293 0.257 0.356 0.000 0.050 0.000 3/12348 230.0 0.281 0.247 0.342 0.000 0.047 0.000 3/12348 240.0 0.270 0.237 0.328 0.000 0.045 0.000 3/12348 250.0 0.260 0.228 0.315 0.000 0.044 0.000 3/12348 260.0 0.250 0.220 0.304 0.000 0.042 0.000 3/12348 270.0 0.242 0.212 0.293 0.000 0.040 0.000 3/12348 280.0 0.234 0.205 0.283 0.000 0.039 0.000 3/12348 290.0 0.226 0.199 0.274 0.000 0.037 0.000 3/12348 300.0 0.219 0.193 0.265 0.000 0.036 0.000 3/12348 310.0 0.212 0.187 0.257 0.000 0.035 0.000 3/12348 320.0 0.206 0.181 0.249 0.000 0.034 0.000 3/12348 330.0 0.200 0.176 0.242 0.000 0.033 0.000 3/12348 340.0 0.195 0.171 0.235 0.000 0.032 0.000 3/12348 350.0 0.190 0.167 0.229 0.000 0.031 0.000 3/12348 360.0 0.185 0.162 0.222 0.000 0.030 0.000 3/12348 370.0 0.180 0.158 0.217 0.000 0.029 0.000 3/12348 380.0 0.175 0.154 0.211 0.000 0.028 0.000 3/12348 390.0 0.171 0.151 0.206 0.000 0.028 0.000 3/12348 400.0 0.167 0.147 0.201 0.000 0.027 0.000 3/12348 410.0 0.163 0.144 0.197 0.000 0.026 0.000 3/12348 420.0 0.160 0.141 0.192 0.000 0.026 0.000 3/12348 430.0 0.156 0.137 0.188 0.000 0.025 0.000 3/12348 440.0 0.153 0.135 0.184 0.000 0.024 0.000 3/12348 450.0 0.150 0.132 0.180 0.000 0.024 0.000 3/12348 460.0 0.147 0.129 0.176 0.000 0.023 0.000 3/12348 470.0 0.144 0.126 0.172 0.000 0.023 0.000 3/12348 480.0 0.141 0.124 0.169 0.000 0.022 0.000 3/12348 490.0 0.138 0.122 0.166 0.000 0.022 0.000 3/12348 500.0 0.136 0.119 0.163 0.000 0.021 0.000 3/12348 510.0 0.133 0.117 0.160 0.000 0.021 0.000 3/12348 520.0 0.131 0.115 0.157 0.000 0.021 0.000 3/12348 530.0 0.128 0.113 0.154 0.000 0.020 0.000 3/12348 540.0 0.126 0.111 0.151 0.000 0.020 0.000 3/12348 550.0 0.124 0.109 0.148 0.000 0.019 0.000 3/12348 560.0 0.122 0.107 0.146 0.000 0.019 0.000 3/12348 570.0 0.120 0.105 0.143 0.000 0.019 0.000 3/12348 580.0 0.118 0.104 0.141 0.000 0.018 0.000 3/12348 590.0 0.116 0.102 0.139 0.000 0.018 0.000 3/12348 600.0 0.114 0.100 0.137 0.000 0.018 0.000 3/12348 610.0 0.112 0.099 0.134 0.000 0.017 0.000 3/12348 620.0 0.111 0.097 0.132 0.000 0.017 0.000 3/12348 630.0 0.109 0.096 0.130 0.000 0.017 0.000 3/12348 640.0 0.107 0.095 0.128 0.000 0.017 0.000 3/12348 650.0 0.106 0.093 0.127 0.000 0.016 0.000 3/12348 660.0 0.104 0.092 0.125 0.000 0.016 0.000 3/12348 670.0 0.103 0.091 0.123 0.000 0.016 0.000 3/12348 680.0 0.101 0.089 0.121 0.000 0.016 0.000 3/12348 690.0 0.100 0.088 0.119 0.000 0.015 0.000 3/12348 700.0 0.099 0.087 0.118 0.000 0.015 0.000 3/12348 710.0 0.097 0.086 0.116 0.000 0.015 0.000 3/12348 720.0 0.096 0.085 0.115 0.000 0.015 0.000 3/12348 730.0 0.095 0.083 0.113 0.000 0.014 0.000 3/12348 740.0 0.094 0.082 0.112 0.000 0.014 0.000 3/12348 750.0 0.092 0.081 0.110 0.000 0.014 0.000 3/12348 760.0 0.091 0.080 0.109 0.000 0.014 0.000 3/12348 770.0 0.090 0.079 0.108 0.000 0.014 0.000 3/12348 780.0 0.089 0.078 0.106 0.000 0.014 0.000 3/12348 790.0 0.088 0.077 0.105 0.000 0.013 0.000 3/12348 800.0 0.087 0.077 0.104 0.000 0.013 0.000 3/12348 810.0 0.086 0.076 0.102 0.000 0.013 0.000 3/12348 820.0 0.085 0.075 0.101 0.000 0.013 0.000 3/12348 830.0 0.084 0.074 0.100 0.000 0.013 0.000 3/12348 840.0 0.083 0.073 0.099 0.000 0.013 0.000 3/12348 850.0 0.082 0.072 0.098 0.000 0.012 0.000 3/12348 860.0 0.081 0.071 0.097 0.000 0.012 0.000 3/12348 870.0 0.080 0.071 0.096 0.000 0.012 0.000 3/12348 880.0 0.079 0.070 0.095 0.000 0.012 0.000 3/12348 890.0 0.078 0.069 0.094 0.000 0.012 0.000 3/12348 900.0 0.078 0.068 0.093 0.000 0.012 0.000 3/12348 910.0 0.077 0.068 0.092 0.000 0.012 0.000 3/12348 920.0 0.076 0.067 0.091 0.000 0.011 0.000 3/12348 930.0 0.075 0.066 0.090 0.000 0.011 0.000 3/12348 940.0 0.075 0.066 0.089 0.000 0.011 0.000 3/12348 950.0 0.074 0.065 0.088 0.000 0.011 0.000 3/12348 960.0 0.073 0.064 0.087 0.000 0.011 0.000 3/12348 970.0 0.072 0.064 0.086 0.000 0.011 0.000 3/12348 980.0 0.072 0.063 0.085 0.000 0.011 0.000 3/12348 990.0 0.071 0.062 0.084 0.000 0.011 0.000 3/12348 1000.0 0.070 0.062 0.084 0.000 0.010 0.000 3/12348 Thermal conductivity related properties were written into "kappa-m776.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:32:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|