----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 09:48:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) Number of symmetry operations in supercell: 96 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.140247370000000 -7.899033319999999 0.000000000000000 b 2.140247370000000 7.899033319999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.113766150000000 Atomic positions (fractional): *1 Sm 0.00000000000000 0.00000000000000 0.00000000000000 150.360 2 Sm 0.00000000000000 0.00000000000000 0.50000000000000 150.360 *3 Cs 0.25494559292250 0.74505440707750 0.75000000000000 132.905 4 Cs 0.74505440707750 0.25494559292250 0.25000000000000 132.905 *5 Cd 0.53839334017066 0.46160665982934 0.75000000000000 112.411 6 Cd 0.46160665982934 0.53839334017066 0.25000000000000 112.411 *7 Se 0.62197689116624 0.37802310883376 0.95107297433793 78.960 8 Se 0.37802310883376 0.62197689116624 0.04892702566207 78.960 9 Se 0.37802310883376 0.62197689116624 0.45107297433793 78.960 10 Se 0.62197689116624 0.37802310883376 0.54892702566207 78.960 *11 Se 0.93655478028329 0.06344521971671 0.75000000000000 78.960 12 Se 0.06344521971671 0.93655478028329 0.25000000000000 78.960 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.280494740000000 0.000000000000000 0.000000000000000 b 0.000000000000000 15.798066639999998 0.000000000000000 c 0.000000000000000 0.000000000000000 11.113766150000000 Atomic positions (fractional): *1 Sm 0.00000000000000 0.00000000000000 0.00000000000000 150.360 > 1 2 Sm 0.00000000000000 0.00000000000000 0.50000000000000 150.360 > 2 3 Sm 0.50000000000000 0.50000000000000 0.00000000000000 150.360 > 1 4 Sm 0.50000000000000 0.50000000000000 0.50000000000000 150.360 > 2 *5 Cs 0.50000000000000 0.24505440707750 0.75000000000000 132.905 > 3 6 Cs 0.00000000000000 0.25494559292250 0.25000000000000 132.905 > 4 7 Cs 0.00000000000000 0.74505440707750 0.75000000000000 132.905 > 3 8 Cs 0.50000000000000 0.75494559292250 0.25000000000000 132.905 > 4 *9 Cd 0.00000000000000 0.46160665982934 0.75000000000000 112.411 > 5 10 Cd 0.50000000000000 0.03839334017066 0.25000000000000 112.411 > 6 11 Cd 0.50000000000000 0.96160665982934 0.75000000000000 112.411 > 5 12 Cd 0.00000000000000 0.53839334017066 0.25000000000000 112.411 > 6 *13 Se 0.00000000000000 0.37802310883376 0.95107297433793 78.960 > 7 14 Se 0.50000000000000 0.12197689116624 0.04892702566207 78.960 > 8 15 Se 0.50000000000000 0.12197689116624 0.45107297433793 78.960 > 9 16 Se 0.00000000000000 0.37802310883376 0.54892702566207 78.960 > 10 *17 Se 0.00000000000000 0.06344521971671 0.75000000000000 78.960 > 11 18 Se 0.50000000000000 0.43655478028329 0.25000000000000 78.960 > 12 19 Se 0.50000000000000 0.87802310883376 0.95107297433793 78.960 > 7 20 Se 0.00000000000000 0.62197689116624 0.04892702566207 78.960 > 8 21 Se 0.00000000000000 0.62197689116624 0.45107297433793 78.960 > 9 22 Se 0.50000000000000 0.87802310883376 0.54892702566207 78.960 > 10 23 Se 0.50000000000000 0.56344521971671 0.75000000000000 78.960 > 11 24 Se 0.00000000000000 0.93655478028329 0.25000000000000 78.960 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.841484220000000 0.000000000000000 0.000000000000000 b 0.000000000000000 15.798066639999998 0.000000000000000 c 0.000000000000000 0.000000000000000 22.227532300000000 Atomic positions (fractional): *1 Sm 0.00000000000000 0.00000000000000 0.00000000000000 150.360 > 1 2 Sm 0.33333333333333 0.00000000000000 0.00000000000000 150.360 > 1 3 Sm 0.66666666666667 0.00000000000000 0.00000000000000 150.360 > 1 4 Sm 0.00000000000000 0.00000000000000 0.50000000000000 150.360 > 1 5 Sm 0.33333333333333 0.00000000000000 0.50000000000000 150.360 > 1 6 Sm 0.66666666666667 0.00000000000000 0.50000000000000 150.360 > 1 7 Sm 0.00000000000000 0.00000000000000 0.25000000000000 150.360 > 2 8 Sm 0.33333333333333 0.00000000000000 0.25000000000000 150.360 > 2 9 Sm 0.66666666666667 0.00000000000000 0.25000000000000 150.360 > 2 10 Sm 0.00000000000000 0.00000000000000 0.75000000000000 150.360 > 2 11 Sm 0.33333333333333 0.00000000000000 0.75000000000000 150.360 > 2 12 Sm 0.66666666666667 0.00000000000000 0.75000000000000 150.360 > 2 13 Sm 0.16666666666667 0.50000000000000 0.00000000000000 150.360 > 1 14 Sm 0.50000000000000 0.50000000000000 0.00000000000000 150.360 > 1 15 Sm 0.83333333333333 0.50000000000000 0.00000000000000 150.360 > 1 16 Sm 0.16666666666667 0.50000000000000 0.50000000000000 150.360 > 1 17 Sm 0.50000000000000 0.50000000000000 0.50000000000000 150.360 > 1 18 Sm 0.83333333333333 0.50000000000000 0.50000000000000 150.360 > 1 19 Sm 0.16666666666667 0.50000000000000 0.25000000000000 150.360 > 2 20 Sm 0.50000000000000 0.50000000000000 0.25000000000000 150.360 > 2 21 Sm 0.83333333333333 0.50000000000000 0.25000000000000 150.360 > 2 22 Sm 0.16666666666667 0.50000000000000 0.75000000000000 150.360 > 2 23 Sm 0.50000000000000 0.50000000000000 0.75000000000000 150.360 > 2 24 Sm 0.83333333333333 0.50000000000000 0.75000000000000 150.360 > 2 *25 Cs 0.16666666666667 0.24505440707750 0.37500000000000 132.905 > 3 26 Cs 0.50000000000000 0.24505440707750 0.37500000000000 132.905 > 3 27 Cs 0.83333333333333 0.24505440707750 0.37500000000000 132.905 > 3 28 Cs 0.16666666666667 0.24505440707750 0.87500000000000 132.905 > 3 29 Cs 0.50000000000000 0.24505440707750 0.87500000000000 132.905 > 3 30 Cs 0.83333333333333 0.24505440707750 0.87500000000000 132.905 > 3 31 Cs 0.00000000000000 0.25494559292250 0.12500000000000 132.905 > 4 32 Cs 0.33333333333333 0.25494559292250 0.12500000000000 132.905 > 4 33 Cs 0.66666666666667 0.25494559292250 0.12500000000000 132.905 > 4 34 Cs 0.00000000000000 0.25494559292250 0.62500000000000 132.905 > 4 35 Cs 0.33333333333333 0.25494559292250 0.62500000000000 132.905 > 4 36 Cs 0.66666666666667 0.25494559292250 0.62500000000000 132.905 > 4 37 Cs 0.00000000000000 0.74505440707750 0.37500000000000 132.905 > 3 38 Cs 0.33333333333333 0.74505440707750 0.37500000000000 132.905 > 3 39 Cs 0.66666666666667 0.74505440707750 0.37500000000000 132.905 > 3 40 Cs 0.00000000000000 0.74505440707750 0.87500000000000 132.905 > 3 41 Cs 0.33333333333333 0.74505440707750 0.87500000000000 132.905 > 3 42 Cs 0.66666666666667 0.74505440707750 0.87500000000000 132.905 > 3 43 Cs 0.16666666666667 0.75494559292250 0.12500000000000 132.905 > 4 44 Cs 0.50000000000000 0.75494559292250 0.12500000000000 132.905 > 4 45 Cs 0.83333333333333 0.75494559292250 0.12500000000000 132.905 > 4 46 Cs 0.16666666666667 0.75494559292250 0.62500000000000 132.905 > 4 47 Cs 0.50000000000000 0.75494559292250 0.62500000000000 132.905 > 4 48 Cs 0.83333333333333 0.75494559292250 0.62500000000000 132.905 > 4 *49 Cd 0.00000000000000 0.46160665982934 0.37500000000000 112.411 > 5 50 Cd 0.33333333333333 0.46160665982934 0.37500000000000 112.411 > 5 51 Cd 0.66666666666667 0.46160665982934 0.37500000000000 112.411 > 5 52 Cd 0.00000000000000 0.46160665982934 0.87500000000000 112.411 > 5 53 Cd 0.33333333333333 0.46160665982934 0.87500000000000 112.411 > 5 54 Cd 0.66666666666667 0.46160665982934 0.87500000000000 112.411 > 5 55 Cd 0.16666666666667 0.03839334017066 0.12500000000000 112.411 > 6 56 Cd 0.50000000000000 0.03839334017066 0.12500000000000 112.411 > 6 57 Cd 0.83333333333333 0.03839334017066 0.12500000000000 112.411 > 6 58 Cd 0.16666666666667 0.03839334017066 0.62500000000000 112.411 > 6 59 Cd 0.50000000000000 0.03839334017066 0.62500000000000 112.411 > 6 60 Cd 0.83333333333333 0.03839334017066 0.62500000000000 112.411 > 6 61 Cd 0.16666666666667 0.96160665982934 0.37500000000000 112.411 > 5 62 Cd 0.50000000000000 0.96160665982934 0.37500000000000 112.411 > 5 63 Cd 0.83333333333333 0.96160665982934 0.37500000000000 112.411 > 5 64 Cd 0.16666666666667 0.96160665982934 0.87500000000000 112.411 > 5 65 Cd 0.50000000000000 0.96160665982934 0.87500000000000 112.411 > 5 66 Cd 0.83333333333333 0.96160665982934 0.87500000000000 112.411 > 5 67 Cd 0.00000000000000 0.53839334017066 0.12500000000000 112.411 > 6 68 Cd 0.33333333333333 0.53839334017066 0.12500000000000 112.411 > 6 69 Cd 0.66666666666667 0.53839334017066 0.12500000000000 112.411 > 6 70 Cd 0.00000000000000 0.53839334017066 0.62500000000000 112.411 > 6 71 Cd 0.33333333333333 0.53839334017066 0.62500000000000 112.411 > 6 72 Cd 0.66666666666667 0.53839334017066 0.62500000000000 112.411 > 6 *73 Se 0.00000000000000 0.37802310883376 0.47553648716897 78.960 > 7 74 Se 0.33333333333333 0.37802310883376 0.47553648716897 78.960 > 7 75 Se 0.66666666666667 0.37802310883376 0.47553648716897 78.960 > 7 76 Se 0.00000000000000 0.37802310883376 0.97553648716897 78.960 > 7 77 Se 0.33333333333333 0.37802310883376 0.97553648716897 78.960 > 7 78 Se 0.66666666666667 0.37802310883376 0.97553648716897 78.960 > 7 79 Se 0.16666666666667 0.12197689116624 0.02446351283103 78.960 > 8 80 Se 0.50000000000000 0.12197689116624 0.02446351283103 78.960 > 8 81 Se 0.83333333333333 0.12197689116624 0.02446351283103 78.960 > 8 82 Se 0.16666666666667 0.12197689116624 0.52446351283103 78.960 > 8 83 Se 0.50000000000000 0.12197689116624 0.52446351283103 78.960 > 8 84 Se 0.83333333333333 0.12197689116624 0.52446351283103 78.960 > 8 85 Se 0.16666666666667 0.12197689116624 0.22553648716897 78.960 > 9 86 Se 0.50000000000000 0.12197689116624 0.22553648716897 78.960 > 9 87 Se 0.83333333333333 0.12197689116624 0.22553648716897 78.960 > 9 88 Se 0.16666666666667 0.12197689116624 0.72553648716897 78.960 > 9 89 Se 0.50000000000000 0.12197689116624 0.72553648716897 78.960 > 9 90 Se 0.83333333333333 0.12197689116624 0.72553648716897 78.960 > 9 91 Se 0.00000000000000 0.37802310883376 0.27446351283103 78.960 > 10 92 Se 0.33333333333333 0.37802310883376 0.27446351283103 78.960 > 10 93 Se 0.66666666666667 0.37802310883376 0.27446351283103 78.960 > 10 94 Se 0.00000000000000 0.37802310883376 0.77446351283103 78.960 > 10 95 Se 0.33333333333333 0.37802310883376 0.77446351283103 78.960 > 10 96 Se 0.66666666666667 0.37802310883376 0.77446351283103 78.960 > 10 *97 Se 0.00000000000000 0.06344521971671 0.37500000000000 78.960 > 11 98 Se 0.33333333333333 0.06344521971671 0.37500000000000 78.960 > 11 99 Se 0.66666666666667 0.06344521971671 0.37500000000000 78.960 > 11 100 Se 0.00000000000000 0.06344521971671 0.87500000000000 78.960 > 11 101 Se 0.33333333333333 0.06344521971671 0.87500000000000 78.960 > 11 102 Se 0.66666666666667 0.06344521971671 0.87500000000000 78.960 > 11 103 Se 0.16666666666667 0.43655478028329 0.12500000000000 78.960 > 12 104 Se 0.50000000000000 0.43655478028329 0.12500000000000 78.960 > 12 105 Se 0.83333333333333 0.43655478028329 0.12500000000000 78.960 > 12 106 Se 0.16666666666667 0.43655478028329 0.62500000000000 78.960 > 12 107 Se 0.50000000000000 0.43655478028329 0.62500000000000 78.960 > 12 108 Se 0.83333333333333 0.43655478028329 0.62500000000000 78.960 > 12 109 Se 0.16666666666667 0.87802310883376 0.47553648716897 78.960 > 7 110 Se 0.50000000000000 0.87802310883376 0.47553648716897 78.960 > 7 111 Se 0.83333333333333 0.87802310883376 0.47553648716897 78.960 > 7 112 Se 0.16666666666667 0.87802310883376 0.97553648716897 78.960 > 7 113 Se 0.50000000000000 0.87802310883376 0.97553648716897 78.960 > 7 114 Se 0.83333333333333 0.87802310883376 0.97553648716897 78.960 > 7 115 Se 0.00000000000000 0.62197689116624 0.02446351283103 78.960 > 8 116 Se 0.33333333333333 0.62197689116624 0.02446351283103 78.960 > 8 117 Se 0.66666666666667 0.62197689116624 0.02446351283103 78.960 > 8 118 Se 0.00000000000000 0.62197689116624 0.52446351283103 78.960 > 8 119 Se 0.33333333333333 0.62197689116624 0.52446351283103 78.960 > 8 120 Se 0.66666666666667 0.62197689116624 0.52446351283103 78.960 > 8 121 Se 0.00000000000000 0.62197689116624 0.22553648716897 78.960 > 9 122 Se 0.33333333333333 0.62197689116624 0.22553648716897 78.960 > 9 123 Se 0.66666666666667 0.62197689116624 0.22553648716897 78.960 > 9 124 Se 0.00000000000000 0.62197689116624 0.72553648716897 78.960 > 9 125 Se 0.33333333333333 0.62197689116624 0.72553648716897 78.960 > 9 126 Se 0.66666666666667 0.62197689116624 0.72553648716897 78.960 > 9 127 Se 0.16666666666667 0.87802310883376 0.27446351283103 78.960 > 10 128 Se 0.50000000000000 0.87802310883376 0.27446351283103 78.960 > 10 129 Se 0.83333333333333 0.87802310883376 0.27446351283103 78.960 > 10 130 Se 0.16666666666667 0.87802310883376 0.77446351283103 78.960 > 10 131 Se 0.50000000000000 0.87802310883376 0.77446351283103 78.960 > 10 132 Se 0.83333333333333 0.87802310883376 0.77446351283103 78.960 > 10 133 Se 0.16666666666667 0.56344521971671 0.37500000000000 78.960 > 11 134 Se 0.50000000000000 0.56344521971671 0.37500000000000 78.960 > 11 135 Se 0.83333333333333 0.56344521971671 0.37500000000000 78.960 > 11 136 Se 0.16666666666667 0.56344521971671 0.87500000000000 78.960 > 11 137 Se 0.50000000000000 0.56344521971671 0.87500000000000 78.960 > 11 138 Se 0.83333333333333 0.56344521971671 0.87500000000000 78.960 > 11 139 Se 0.00000000000000 0.93655478028329 0.12500000000000 78.960 > 12 140 Se 0.33333333333333 0.93655478028329 0.12500000000000 78.960 > 12 141 Se 0.66666666666667 0.93655478028329 0.12500000000000 78.960 > 12 142 Se 0.00000000000000 0.93655478028329 0.62500000000000 78.960 > 12 143 Se 0.33333333333333 0.93655478028329 0.62500000000000 78.960 > 12 144 Se 0.66666666666667 0.93655478028329 0.62500000000000 78.960 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.8882809 0.0000000 0.0000000 0.0000000 4.6523108 0.0000000 0.0000000 0.0000000 6.7097746 -------------------------- Born effective charges -------------------------- 1 Sm 5.0621136 0.0000000 0.0000000 0.0000000 1.7453574 0.2741133 0.0000000 0.3547602 4.6159071 2 Sm 5.0621136 0.0000000 0.0000000 0.0000000 1.7453574 -0.2741133 0.0000000 -0.3547602 4.6159071 3 Cs 1.1887606 0.0000000 0.0000000 0.0000000 1.9206014 0.0000000 0.0000000 0.0000000 1.3415685 4 Cs 1.1887606 0.0000000 0.0000000 0.0000000 1.9206014 0.0000000 0.0000000 0.0000000 1.3415685 5 Cd 1.8945481 0.0000000 0.0000000 0.0000000 0.8326823 0.0000000 0.0000000 0.0000000 1.9209636 6 Cd 1.8945481 0.0000000 0.0000000 0.0000000 0.8326823 0.0000000 0.0000000 0.0000000 1.9209636 7 Se -2.9396312 0.0000000 0.0000000 0.0000000 -1.6496373 -0.0759245 0.0000000 -0.1864853 -2.2085145 8 Se -2.9396312 0.0000000 0.0000000 0.0000000 -1.6496373 -0.0759245 0.0000000 -0.1864853 -2.2085145 9 Se -2.9396312 0.0000000 0.0000000 0.0000000 -1.6496373 0.0759245 0.0000000 0.1864853 -2.2085145 10 Se -2.9396312 0.0000000 0.0000000 0.0000000 -1.6496373 0.0759245 0.0000000 0.1864853 -2.2085145 11 Se -2.2661600 0.0000000 0.0000000 0.0000000 -1.1993665 0.0000000 0.0000000 0.0000000 -3.4614102 12 Se -2.2661600 0.0000000 0.0000000 0.0000000 -1.1993665 0.0000000 0.0000000 0.0000000 -3.4614102 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 9324/9324 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1140 Number of blocks in projector: 1140 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: 256 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 160 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 124 Use standard eigh solver. Tree of FC basis block matrices: - (1140, 1121), data: False |-- (124, 124), data: True |-- (160, 160), data: True |-- (200, 195), data: True |-- (200, 195), data: True |-- (200, 195), data: True |-- (256, 252), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 240 - Time: 1.686 Solver_block: 200 / 240 - Time: 1.639 Solver_block: 240 / 240 - Time: 0.730 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.081 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 9324/9324 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1140 Number of blocks in projector: 1140 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: 256 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 160 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 124 Use standard eigh solver. Tree of FC basis block matrices: - (1140, 1121), data: False |-- (124, 124), data: True |-- (160, 160), data: True |-- (200, 195), data: True |-- (200, 195), data: True |-- (200, 195), data: True |-- (256, 252), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 09:49:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:49:06]------------------------- 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): [3 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.140247370000000 -7.899033319999999 0.000000000000000 b 2.140247370000000 7.899033319999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.113766150000000 Atomic positions (fractional): 1 Sm 0.00000000000000 0.00000000000000 0.00000000000000 150.360 2 Sm 0.00000000000000 0.00000000000000 0.50000000000000 150.360 3 Cs 0.25494559292250 0.74505440707750 0.75000000000000 132.905 4 Cs 0.74505440707750 0.25494559292250 0.25000000000000 132.905 5 Cd 0.53839334017066 0.46160665982934 0.75000000000000 112.411 6 Cd 0.46160665982934 0.53839334017066 0.25000000000000 112.411 7 Se 0.62197689116624 0.37802310883376 0.95107297433793 78.960 8 Se 0.37802310883376 0.62197689116624 0.04892702566207 78.960 9 Se 0.37802310883376 0.62197689116624 0.45107297433793 78.960 10 Se 0.62197689116624 0.37802310883376 0.54892702566207 78.960 11 Se 0.93655478028329 0.06344521971671 0.75000000000000 78.960 12 Se 0.06344521971671 0.93655478028329 0.25000000000000 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.841484220000000 0.000000000000000 0.000000000000000 b 0.000000000000000 15.798066639999998 0.000000000000000 c 0.000000000000000 0.000000000000000 22.227532300000000 Atomic positions (fractional): 1 Sm 0.00000000000000 0.00000000000000 0.00000000000000 150.360 > 1 2 Sm 0.33333333333333 0.00000000000000 0.00000000000000 150.360 > 1 3 Sm 0.66666666666667 0.00000000000000 0.00000000000000 150.360 > 1 4 Sm 0.00000000000000 0.00000000000000 0.50000000000000 150.360 > 1 5 Sm 0.33333333333333 0.00000000000000 0.50000000000000 150.360 > 1 6 Sm 0.66666666666667 0.00000000000000 0.50000000000000 150.360 > 1 7 Sm 0.00000000000000 0.00000000000000 0.25000000000000 150.360 > 7 8 Sm 0.33333333333333 0.00000000000000 0.25000000000000 150.360 > 7 9 Sm 0.66666666666667 0.00000000000000 0.25000000000000 150.360 > 7 10 Sm 0.00000000000000 0.00000000000000 0.75000000000000 150.360 > 7 11 Sm 0.33333333333333 0.00000000000000 0.75000000000000 150.360 > 7 12 Sm 0.66666666666667 0.00000000000000 0.75000000000000 150.360 > 7 13 Sm 0.16666666666667 0.50000000000000 0.00000000000000 150.360 > 1 14 Sm 0.50000000000000 0.50000000000000 0.00000000000000 150.360 > 1 15 Sm 0.83333333333333 0.50000000000000 0.00000000000000 150.360 > 1 16 Sm 0.16666666666667 0.50000000000000 0.50000000000000 150.360 > 1 17 Sm 0.50000000000000 0.50000000000000 0.50000000000000 150.360 > 1 18 Sm 0.83333333333333 0.50000000000000 0.50000000000000 150.360 > 1 19 Sm 0.16666666666667 0.50000000000000 0.25000000000000 150.360 > 7 20 Sm 0.50000000000000 0.50000000000000 0.25000000000000 150.360 > 7 21 Sm 0.83333333333333 0.50000000000000 0.25000000000000 150.360 > 7 22 Sm 0.16666666666667 0.50000000000000 0.75000000000000 150.360 > 7 23 Sm 0.50000000000000 0.50000000000000 0.75000000000000 150.360 > 7 24 Sm 0.83333333333333 0.50000000000000 0.75000000000000 150.360 > 7 25 Cs 0.16666666666667 0.24505440707750 0.37500000000000 132.905 > 25 26 Cs 0.50000000000000 0.24505440707750 0.37500000000000 132.905 > 25 27 Cs 0.83333333333333 0.24505440707750 0.37500000000000 132.905 > 25 28 Cs 0.16666666666667 0.24505440707750 0.87500000000000 132.905 > 25 29 Cs 0.50000000000000 0.24505440707750 0.87500000000000 132.905 > 25 30 Cs 0.83333333333333 0.24505440707750 0.87500000000000 132.905 > 25 31 Cs 0.00000000000000 0.25494559292250 0.12500000000000 132.905 > 31 32 Cs 0.33333333333333 0.25494559292250 0.12500000000000 132.905 > 31 33 Cs 0.66666666666667 0.25494559292250 0.12500000000000 132.905 > 31 34 Cs 0.00000000000000 0.25494559292250 0.62500000000000 132.905 > 31 35 Cs 0.33333333333333 0.25494559292250 0.62500000000000 132.905 > 31 36 Cs 0.66666666666667 0.25494559292250 0.62500000000000 132.905 > 31 37 Cs 0.00000000000000 0.74505440707750 0.37500000000000 132.905 > 25 38 Cs 0.33333333333333 0.74505440707750 0.37500000000000 132.905 > 25 39 Cs 0.66666666666667 0.74505440707750 0.37500000000000 132.905 > 25 40 Cs 0.00000000000000 0.74505440707750 0.87500000000000 132.905 > 25 41 Cs 0.33333333333333 0.74505440707750 0.87500000000000 132.905 > 25 42 Cs 0.66666666666667 0.74505440707750 0.87500000000000 132.905 > 25 43 Cs 0.16666666666667 0.75494559292250 0.12500000000000 132.905 > 31 44 Cs 0.50000000000000 0.75494559292250 0.12500000000000 132.905 > 31 45 Cs 0.83333333333333 0.75494559292250 0.12500000000000 132.905 > 31 46 Cs 0.16666666666667 0.75494559292250 0.62500000000000 132.905 > 31 47 Cs 0.50000000000000 0.75494559292250 0.62500000000000 132.905 > 31 48 Cs 0.83333333333333 0.75494559292250 0.62500000000000 132.905 > 31 49 Cd 0.00000000000000 0.46160665982934 0.37500000000000 112.411 > 49 50 Cd 0.33333333333333 0.46160665982934 0.37500000000000 112.411 > 49 51 Cd 0.66666666666667 0.46160665982934 0.37500000000000 112.411 > 49 52 Cd 0.00000000000000 0.46160665982934 0.87500000000000 112.411 > 49 53 Cd 0.33333333333333 0.46160665982934 0.87500000000000 112.411 > 49 54 Cd 0.66666666666667 0.46160665982934 0.87500000000000 112.411 > 49 55 Cd 0.16666666666667 0.03839334017066 0.12500000000000 112.411 > 55 56 Cd 0.50000000000000 0.03839334017066 0.12500000000000 112.411 > 55 57 Cd 0.83333333333333 0.03839334017066 0.12500000000000 112.411 > 55 58 Cd 0.16666666666667 0.03839334017066 0.62500000000000 112.411 > 55 59 Cd 0.50000000000000 0.03839334017066 0.62500000000000 112.411 > 55 60 Cd 0.83333333333333 0.03839334017066 0.62500000000000 112.411 > 55 61 Cd 0.16666666666667 0.96160665982934 0.37500000000000 112.411 > 49 62 Cd 0.50000000000000 0.96160665982934 0.37500000000000 112.411 > 49 63 Cd 0.83333333333333 0.96160665982934 0.37500000000000 112.411 > 49 64 Cd 0.16666666666667 0.96160665982934 0.87500000000000 112.411 > 49 65 Cd 0.50000000000000 0.96160665982934 0.87500000000000 112.411 > 49 66 Cd 0.83333333333333 0.96160665982934 0.87500000000000 112.411 > 49 67 Cd 0.00000000000000 0.53839334017066 0.12500000000000 112.411 > 55 68 Cd 0.33333333333333 0.53839334017066 0.12500000000000 112.411 > 55 69 Cd 0.66666666666667 0.53839334017066 0.12500000000000 112.411 > 55 70 Cd 0.00000000000000 0.53839334017066 0.62500000000000 112.411 > 55 71 Cd 0.33333333333333 0.53839334017066 0.62500000000000 112.411 > 55 72 Cd 0.66666666666667 0.53839334017066 0.62500000000000 112.411 > 55 73 Se 0.00000000000000 0.37802310883376 0.47553648716897 78.960 > 73 74 Se 0.33333333333333 0.37802310883376 0.47553648716897 78.960 > 73 75 Se 0.66666666666667 0.37802310883376 0.47553648716897 78.960 > 73 76 Se 0.00000000000000 0.37802310883376 0.97553648716897 78.960 > 73 77 Se 0.33333333333333 0.37802310883376 0.97553648716897 78.960 > 73 78 Se 0.66666666666667 0.37802310883376 0.97553648716897 78.960 > 73 79 Se 0.16666666666667 0.12197689116624 0.02446351283103 78.960 > 79 80 Se 0.50000000000000 0.12197689116624 0.02446351283103 78.960 > 79 81 Se 0.83333333333333 0.12197689116624 0.02446351283103 78.960 > 79 82 Se 0.16666666666667 0.12197689116624 0.52446351283103 78.960 > 79 83 Se 0.50000000000000 0.12197689116624 0.52446351283103 78.960 > 79 84 Se 0.83333333333333 0.12197689116624 0.52446351283103 78.960 > 79 85 Se 0.16666666666667 0.12197689116624 0.22553648716897 78.960 > 85 86 Se 0.50000000000000 0.12197689116624 0.22553648716897 78.960 > 85 87 Se 0.83333333333333 0.12197689116624 0.22553648716897 78.960 > 85 88 Se 0.16666666666667 0.12197689116624 0.72553648716897 78.960 > 85 89 Se 0.50000000000000 0.12197689116624 0.72553648716897 78.960 > 85 90 Se 0.83333333333333 0.12197689116624 0.72553648716897 78.960 > 85 91 Se 0.00000000000000 0.37802310883376 0.27446351283103 78.960 > 91 92 Se 0.33333333333333 0.37802310883376 0.27446351283103 78.960 > 91 93 Se 0.66666666666667 0.37802310883376 0.27446351283103 78.960 > 91 94 Se 0.00000000000000 0.37802310883376 0.77446351283103 78.960 > 91 95 Se 0.33333333333333 0.37802310883376 0.77446351283103 78.960 > 91 96 Se 0.66666666666667 0.37802310883376 0.77446351283103 78.960 > 91 97 Se 0.00000000000000 0.06344521971671 0.37500000000000 78.960 > 97 98 Se 0.33333333333333 0.06344521971671 0.37500000000000 78.960 > 97 99 Se 0.66666666666667 0.06344521971671 0.37500000000000 78.960 > 97 100 Se 0.00000000000000 0.06344521971671 0.87500000000000 78.960 > 97 101 Se 0.33333333333333 0.06344521971671 0.87500000000000 78.960 > 97 102 Se 0.66666666666667 0.06344521971671 0.87500000000000 78.960 > 97 103 Se 0.16666666666667 0.43655478028329 0.12500000000000 78.960 > 103 104 Se 0.50000000000000 0.43655478028329 0.12500000000000 78.960 > 103 105 Se 0.83333333333333 0.43655478028329 0.12500000000000 78.960 > 103 106 Se 0.16666666666667 0.43655478028329 0.62500000000000 78.960 > 103 107 Se 0.50000000000000 0.43655478028329 0.62500000000000 78.960 > 103 108 Se 0.83333333333333 0.43655478028329 0.62500000000000 78.960 > 103 109 Se 0.16666666666667 0.87802310883376 0.47553648716897 78.960 > 73 110 Se 0.50000000000000 0.87802310883376 0.47553648716897 78.960 > 73 111 Se 0.83333333333333 0.87802310883376 0.47553648716897 78.960 > 73 112 Se 0.16666666666667 0.87802310883376 0.97553648716897 78.960 > 73 113 Se 0.50000000000000 0.87802310883376 0.97553648716897 78.960 > 73 114 Se 0.83333333333333 0.87802310883376 0.97553648716897 78.960 > 73 115 Se 0.00000000000000 0.62197689116624 0.02446351283103 78.960 > 79 116 Se 0.33333333333333 0.62197689116624 0.02446351283103 78.960 > 79 117 Se 0.66666666666667 0.62197689116624 0.02446351283103 78.960 > 79 118 Se 0.00000000000000 0.62197689116624 0.52446351283103 78.960 > 79 119 Se 0.33333333333333 0.62197689116624 0.52446351283103 78.960 > 79 120 Se 0.66666666666667 0.62197689116624 0.52446351283103 78.960 > 79 121 Se 0.00000000000000 0.62197689116624 0.22553648716897 78.960 > 85 122 Se 0.33333333333333 0.62197689116624 0.22553648716897 78.960 > 85 123 Se 0.66666666666667 0.62197689116624 0.22553648716897 78.960 > 85 124 Se 0.00000000000000 0.62197689116624 0.72553648716897 78.960 > 85 125 Se 0.33333333333333 0.62197689116624 0.72553648716897 78.960 > 85 126 Se 0.66666666666667 0.62197689116624 0.72553648716897 78.960 > 85 127 Se 0.16666666666667 0.87802310883376 0.27446351283103 78.960 > 91 128 Se 0.50000000000000 0.87802310883376 0.27446351283103 78.960 > 91 129 Se 0.83333333333333 0.87802310883376 0.27446351283103 78.960 > 91 130 Se 0.16666666666667 0.87802310883376 0.77446351283103 78.960 > 91 131 Se 0.50000000000000 0.87802310883376 0.77446351283103 78.960 > 91 132 Se 0.83333333333333 0.87802310883376 0.77446351283103 78.960 > 91 133 Se 0.16666666666667 0.56344521971671 0.37500000000000 78.960 > 97 134 Se 0.50000000000000 0.56344521971671 0.37500000000000 78.960 > 97 135 Se 0.83333333333333 0.56344521971671 0.37500000000000 78.960 > 97 136 Se 0.16666666666667 0.56344521971671 0.87500000000000 78.960 > 97 137 Se 0.50000000000000 0.56344521971671 0.87500000000000 78.960 > 97 138 Se 0.83333333333333 0.56344521971671 0.87500000000000 78.960 > 97 139 Se 0.00000000000000 0.93655478028329 0.12500000000000 78.960 > 103 140 Se 0.33333333333333 0.93655478028329 0.12500000000000 78.960 > 103 141 Se 0.66666666666667 0.93655478028329 0.12500000000000 78.960 > 103 142 Se 0.00000000000000 0.93655478028329 0.62500000000000 78.960 > 103 143 Se 0.33333333333333 0.93655478028329 0.62500000000000 78.960 > 103 144 Se 0.66666666666667 0.93655478028329 0.62500000000000 78.960 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.8882809 0.0000000 0.0000000 0.0000000 4.6523108 0.0000000 0.0000000 0.0000000 6.7097746 -------------------------- Born effective charges -------------------------- 1 Sm 5.0621136 0.0000000 0.0000000 0.0000000 1.7453574 0.2741133 0.0000000 0.3547602 4.6159071 2 Sm 5.0621136 0.0000000 0.0000000 0.0000000 1.7453574 -0.2741133 0.0000000 -0.3547602 4.6159071 3 Cs 1.1887606 0.0000000 0.0000000 0.0000000 1.9206014 0.0000000 0.0000000 0.0000000 1.3415685 4 Cs 1.1887606 0.0000000 0.0000000 0.0000000 1.9206014 0.0000000 0.0000000 0.0000000 1.3415685 5 Cd 1.8945481 0.0000000 0.0000000 0.0000000 0.8326823 0.0000000 0.0000000 0.0000000 1.9209636 6 Cd 1.8945481 0.0000000 0.0000000 0.0000000 0.8326823 0.0000000 0.0000000 0.0000000 1.9209636 7 Se -2.9396312 0.0000000 0.0000000 0.0000000 -1.6496373 -0.0759245 0.0000000 -0.1864853 -2.2085145 8 Se -2.9396312 0.0000000 0.0000000 0.0000000 -1.6496373 -0.0759245 0.0000000 -0.1864853 -2.2085145 9 Se -2.9396312 0.0000000 0.0000000 0.0000000 -1.6496373 0.0759245 0.0000000 0.1864853 -2.2085145 10 Se -2.9396312 0.0000000 0.0000000 0.0000000 -1.6496373 0.0759245 0.0000000 0.1864853 -2.2085145 11 Se -2.2661600 0.0000000 0.0000000 0.0000000 -1.1993665 0.0000000 0.0000000 0.0000000 -3.4614102 12 Se -2.2661600 0.0000000 0.0000000 0.0000000 -1.1993665 0.0000000 0.0000000 0.0000000 -3.4614102 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000003 (xyx) -0.00000003 (xyx) -0.00000003 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yz) 0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:49:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:49:26]------------------------- 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): [3 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.140247370000000 -7.899033319999999 0.000000000000000 b 2.140247370000000 7.899033319999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.113766150000000 Atomic positions (fractional): 1 Sm 0.00000000000000 0.00000000000000 0.00000000000000 150.360 2 Sm 0.00000000000000 0.00000000000000 0.50000000000000 150.360 3 Cs 0.25494559292250 0.74505440707750 0.75000000000000 132.905 4 Cs 0.74505440707750 0.25494559292250 0.25000000000000 132.905 5 Cd 0.53839334017066 0.46160665982934 0.75000000000000 112.411 6 Cd 0.46160665982934 0.53839334017066 0.25000000000000 112.411 7 Se 0.62197689116624 0.37802310883376 0.95107297433793 78.960 8 Se 0.37802310883376 0.62197689116624 0.04892702566207 78.960 9 Se 0.37802310883376 0.62197689116624 0.45107297433793 78.960 10 Se 0.62197689116624 0.37802310883376 0.54892702566207 78.960 11 Se 0.93655478028329 0.06344521971671 0.75000000000000 78.960 12 Se 0.06344521971671 0.93655478028329 0.25000000000000 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.841484220000000 0.000000000000000 0.000000000000000 b 0.000000000000000 15.798066639999998 0.000000000000000 c 0.000000000000000 0.000000000000000 22.227532300000000 Atomic positions (fractional): 1 Sm 0.00000000000000 0.00000000000000 0.00000000000000 150.360 > 1 2 Sm 0.33333333333333 0.00000000000000 0.00000000000000 150.360 > 1 3 Sm 0.66666666666667 0.00000000000000 0.00000000000000 150.360 > 1 4 Sm 0.00000000000000 0.00000000000000 0.50000000000000 150.360 > 1 5 Sm 0.33333333333333 0.00000000000000 0.50000000000000 150.360 > 1 6 Sm 0.66666666666667 0.00000000000000 0.50000000000000 150.360 > 1 7 Sm 0.00000000000000 0.00000000000000 0.25000000000000 150.360 > 7 8 Sm 0.33333333333333 0.00000000000000 0.25000000000000 150.360 > 7 9 Sm 0.66666666666667 0.00000000000000 0.25000000000000 150.360 > 7 10 Sm 0.00000000000000 0.00000000000000 0.75000000000000 150.360 > 7 11 Sm 0.33333333333333 0.00000000000000 0.75000000000000 150.360 > 7 12 Sm 0.66666666666667 0.00000000000000 0.75000000000000 150.360 > 7 13 Sm 0.16666666666667 0.50000000000000 0.00000000000000 150.360 > 1 14 Sm 0.50000000000000 0.50000000000000 0.00000000000000 150.360 > 1 15 Sm 0.83333333333333 0.50000000000000 0.00000000000000 150.360 > 1 16 Sm 0.16666666666667 0.50000000000000 0.50000000000000 150.360 > 1 17 Sm 0.50000000000000 0.50000000000000 0.50000000000000 150.360 > 1 18 Sm 0.83333333333333 0.50000000000000 0.50000000000000 150.360 > 1 19 Sm 0.16666666666667 0.50000000000000 0.25000000000000 150.360 > 7 20 Sm 0.50000000000000 0.50000000000000 0.25000000000000 150.360 > 7 21 Sm 0.83333333333333 0.50000000000000 0.25000000000000 150.360 > 7 22 Sm 0.16666666666667 0.50000000000000 0.75000000000000 150.360 > 7 23 Sm 0.50000000000000 0.50000000000000 0.75000000000000 150.360 > 7 24 Sm 0.83333333333333 0.50000000000000 0.75000000000000 150.360 > 7 25 Cs 0.16666666666667 0.24505440707750 0.37500000000000 132.905 > 25 26 Cs 0.50000000000000 0.24505440707750 0.37500000000000 132.905 > 25 27 Cs 0.83333333333333 0.24505440707750 0.37500000000000 132.905 > 25 28 Cs 0.16666666666667 0.24505440707750 0.87500000000000 132.905 > 25 29 Cs 0.50000000000000 0.24505440707750 0.87500000000000 132.905 > 25 30 Cs 0.83333333333333 0.24505440707750 0.87500000000000 132.905 > 25 31 Cs 0.00000000000000 0.25494559292250 0.12500000000000 132.905 > 31 32 Cs 0.33333333333333 0.25494559292250 0.12500000000000 132.905 > 31 33 Cs 0.66666666666667 0.25494559292250 0.12500000000000 132.905 > 31 34 Cs 0.00000000000000 0.25494559292250 0.62500000000000 132.905 > 31 35 Cs 0.33333333333333 0.25494559292250 0.62500000000000 132.905 > 31 36 Cs 0.66666666666667 0.25494559292250 0.62500000000000 132.905 > 31 37 Cs 0.00000000000000 0.74505440707750 0.37500000000000 132.905 > 25 38 Cs 0.33333333333333 0.74505440707750 0.37500000000000 132.905 > 25 39 Cs 0.66666666666667 0.74505440707750 0.37500000000000 132.905 > 25 40 Cs 0.00000000000000 0.74505440707750 0.87500000000000 132.905 > 25 41 Cs 0.33333333333333 0.74505440707750 0.87500000000000 132.905 > 25 42 Cs 0.66666666666667 0.74505440707750 0.87500000000000 132.905 > 25 43 Cs 0.16666666666667 0.75494559292250 0.12500000000000 132.905 > 31 44 Cs 0.50000000000000 0.75494559292250 0.12500000000000 132.905 > 31 45 Cs 0.83333333333333 0.75494559292250 0.12500000000000 132.905 > 31 46 Cs 0.16666666666667 0.75494559292250 0.62500000000000 132.905 > 31 47 Cs 0.50000000000000 0.75494559292250 0.62500000000000 132.905 > 31 48 Cs 0.83333333333333 0.75494559292250 0.62500000000000 132.905 > 31 49 Cd 0.00000000000000 0.46160665982934 0.37500000000000 112.411 > 49 50 Cd 0.33333333333333 0.46160665982934 0.37500000000000 112.411 > 49 51 Cd 0.66666666666667 0.46160665982934 0.37500000000000 112.411 > 49 52 Cd 0.00000000000000 0.46160665982934 0.87500000000000 112.411 > 49 53 Cd 0.33333333333333 0.46160665982934 0.87500000000000 112.411 > 49 54 Cd 0.66666666666667 0.46160665982934 0.87500000000000 112.411 > 49 55 Cd 0.16666666666667 0.03839334017066 0.12500000000000 112.411 > 55 56 Cd 0.50000000000000 0.03839334017066 0.12500000000000 112.411 > 55 57 Cd 0.83333333333333 0.03839334017066 0.12500000000000 112.411 > 55 58 Cd 0.16666666666667 0.03839334017066 0.62500000000000 112.411 > 55 59 Cd 0.50000000000000 0.03839334017066 0.62500000000000 112.411 > 55 60 Cd 0.83333333333333 0.03839334017066 0.62500000000000 112.411 > 55 61 Cd 0.16666666666667 0.96160665982934 0.37500000000000 112.411 > 49 62 Cd 0.50000000000000 0.96160665982934 0.37500000000000 112.411 > 49 63 Cd 0.83333333333333 0.96160665982934 0.37500000000000 112.411 > 49 64 Cd 0.16666666666667 0.96160665982934 0.87500000000000 112.411 > 49 65 Cd 0.50000000000000 0.96160665982934 0.87500000000000 112.411 > 49 66 Cd 0.83333333333333 0.96160665982934 0.87500000000000 112.411 > 49 67 Cd 0.00000000000000 0.53839334017066 0.12500000000000 112.411 > 55 68 Cd 0.33333333333333 0.53839334017066 0.12500000000000 112.411 > 55 69 Cd 0.66666666666667 0.53839334017066 0.12500000000000 112.411 > 55 70 Cd 0.00000000000000 0.53839334017066 0.62500000000000 112.411 > 55 71 Cd 0.33333333333333 0.53839334017066 0.62500000000000 112.411 > 55 72 Cd 0.66666666666667 0.53839334017066 0.62500000000000 112.411 > 55 73 Se 0.00000000000000 0.37802310883376 0.47553648716897 78.960 > 73 74 Se 0.33333333333333 0.37802310883376 0.47553648716897 78.960 > 73 75 Se 0.66666666666667 0.37802310883376 0.47553648716897 78.960 > 73 76 Se 0.00000000000000 0.37802310883376 0.97553648716897 78.960 > 73 77 Se 0.33333333333333 0.37802310883376 0.97553648716897 78.960 > 73 78 Se 0.66666666666667 0.37802310883376 0.97553648716897 78.960 > 73 79 Se 0.16666666666667 0.12197689116624 0.02446351283103 78.960 > 79 80 Se 0.50000000000000 0.12197689116624 0.02446351283103 78.960 > 79 81 Se 0.83333333333333 0.12197689116624 0.02446351283103 78.960 > 79 82 Se 0.16666666666667 0.12197689116624 0.52446351283103 78.960 > 79 83 Se 0.50000000000000 0.12197689116624 0.52446351283103 78.960 > 79 84 Se 0.83333333333333 0.12197689116624 0.52446351283103 78.960 > 79 85 Se 0.16666666666667 0.12197689116624 0.22553648716897 78.960 > 85 86 Se 0.50000000000000 0.12197689116624 0.22553648716897 78.960 > 85 87 Se 0.83333333333333 0.12197689116624 0.22553648716897 78.960 > 85 88 Se 0.16666666666667 0.12197689116624 0.72553648716897 78.960 > 85 89 Se 0.50000000000000 0.12197689116624 0.72553648716897 78.960 > 85 90 Se 0.83333333333333 0.12197689116624 0.72553648716897 78.960 > 85 91 Se 0.00000000000000 0.37802310883376 0.27446351283103 78.960 > 91 92 Se 0.33333333333333 0.37802310883376 0.27446351283103 78.960 > 91 93 Se 0.66666666666667 0.37802310883376 0.27446351283103 78.960 > 91 94 Se 0.00000000000000 0.37802310883376 0.77446351283103 78.960 > 91 95 Se 0.33333333333333 0.37802310883376 0.77446351283103 78.960 > 91 96 Se 0.66666666666667 0.37802310883376 0.77446351283103 78.960 > 91 97 Se 0.00000000000000 0.06344521971671 0.37500000000000 78.960 > 97 98 Se 0.33333333333333 0.06344521971671 0.37500000000000 78.960 > 97 99 Se 0.66666666666667 0.06344521971671 0.37500000000000 78.960 > 97 100 Se 0.00000000000000 0.06344521971671 0.87500000000000 78.960 > 97 101 Se 0.33333333333333 0.06344521971671 0.87500000000000 78.960 > 97 102 Se 0.66666666666667 0.06344521971671 0.87500000000000 78.960 > 97 103 Se 0.16666666666667 0.43655478028329 0.12500000000000 78.960 > 103 104 Se 0.50000000000000 0.43655478028329 0.12500000000000 78.960 > 103 105 Se 0.83333333333333 0.43655478028329 0.12500000000000 78.960 > 103 106 Se 0.16666666666667 0.43655478028329 0.62500000000000 78.960 > 103 107 Se 0.50000000000000 0.43655478028329 0.62500000000000 78.960 > 103 108 Se 0.83333333333333 0.43655478028329 0.62500000000000 78.960 > 103 109 Se 0.16666666666667 0.87802310883376 0.47553648716897 78.960 > 73 110 Se 0.50000000000000 0.87802310883376 0.47553648716897 78.960 > 73 111 Se 0.83333333333333 0.87802310883376 0.47553648716897 78.960 > 73 112 Se 0.16666666666667 0.87802310883376 0.97553648716897 78.960 > 73 113 Se 0.50000000000000 0.87802310883376 0.97553648716897 78.960 > 73 114 Se 0.83333333333333 0.87802310883376 0.97553648716897 78.960 > 73 115 Se 0.00000000000000 0.62197689116624 0.02446351283103 78.960 > 79 116 Se 0.33333333333333 0.62197689116624 0.02446351283103 78.960 > 79 117 Se 0.66666666666667 0.62197689116624 0.02446351283103 78.960 > 79 118 Se 0.00000000000000 0.62197689116624 0.52446351283103 78.960 > 79 119 Se 0.33333333333333 0.62197689116624 0.52446351283103 78.960 > 79 120 Se 0.66666666666667 0.62197689116624 0.52446351283103 78.960 > 79 121 Se 0.00000000000000 0.62197689116624 0.22553648716897 78.960 > 85 122 Se 0.33333333333333 0.62197689116624 0.22553648716897 78.960 > 85 123 Se 0.66666666666667 0.62197689116624 0.22553648716897 78.960 > 85 124 Se 0.00000000000000 0.62197689116624 0.72553648716897 78.960 > 85 125 Se 0.33333333333333 0.62197689116624 0.72553648716897 78.960 > 85 126 Se 0.66666666666667 0.62197689116624 0.72553648716897 78.960 > 85 127 Se 0.16666666666667 0.87802310883376 0.27446351283103 78.960 > 91 128 Se 0.50000000000000 0.87802310883376 0.27446351283103 78.960 > 91 129 Se 0.83333333333333 0.87802310883376 0.27446351283103 78.960 > 91 130 Se 0.16666666666667 0.87802310883376 0.77446351283103 78.960 > 91 131 Se 0.50000000000000 0.87802310883376 0.77446351283103 78.960 > 91 132 Se 0.83333333333333 0.87802310883376 0.77446351283103 78.960 > 91 133 Se 0.16666666666667 0.56344521971671 0.37500000000000 78.960 > 97 134 Se 0.50000000000000 0.56344521971671 0.37500000000000 78.960 > 97 135 Se 0.83333333333333 0.56344521971671 0.37500000000000 78.960 > 97 136 Se 0.16666666666667 0.56344521971671 0.87500000000000 78.960 > 97 137 Se 0.50000000000000 0.56344521971671 0.87500000000000 78.960 > 97 138 Se 0.83333333333333 0.56344521971671 0.87500000000000 78.960 > 97 139 Se 0.00000000000000 0.93655478028329 0.12500000000000 78.960 > 103 140 Se 0.33333333333333 0.93655478028329 0.12500000000000 78.960 > 103 141 Se 0.66666666666667 0.93655478028329 0.12500000000000 78.960 > 103 142 Se 0.00000000000000 0.93655478028329 0.62500000000000 78.960 > 103 143 Se 0.33333333333333 0.93655478028329 0.62500000000000 78.960 > 103 144 Se 0.66666666666667 0.93655478028329 0.62500000000000 78.960 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.8882809 0.0000000 0.0000000 0.0000000 4.6523108 0.0000000 0.0000000 0.0000000 6.7097746 -------------------------- Born effective charges -------------------------- 1 Sm 5.0621136 0.0000000 0.0000000 0.0000000 1.7453574 0.2741133 0.0000000 0.3547602 4.6159071 2 Sm 5.0621136 0.0000000 0.0000000 0.0000000 1.7453574 -0.2741133 0.0000000 -0.3547602 4.6159071 3 Cs 1.1887606 0.0000000 0.0000000 0.0000000 1.9206014 0.0000000 0.0000000 0.0000000 1.3415685 4 Cs 1.1887606 0.0000000 0.0000000 0.0000000 1.9206014 0.0000000 0.0000000 0.0000000 1.3415685 5 Cd 1.8945481 0.0000000 0.0000000 0.0000000 0.8326823 0.0000000 0.0000000 0.0000000 1.9209636 6 Cd 1.8945481 0.0000000 0.0000000 0.0000000 0.8326823 0.0000000 0.0000000 0.0000000 1.9209636 7 Se -2.9396312 0.0000000 0.0000000 0.0000000 -1.6496373 -0.0759245 0.0000000 -0.1864853 -2.2085145 8 Se -2.9396312 0.0000000 0.0000000 0.0000000 -1.6496373 -0.0759245 0.0000000 -0.1864853 -2.2085145 9 Se -2.9396312 0.0000000 0.0000000 0.0000000 -1.6496373 0.0759245 0.0000000 0.1864853 -2.2085145 10 Se -2.9396312 0.0000000 0.0000000 0.0000000 -1.6496373 0.0759245 0.0000000 0.1864853 -2.2085145 11 Se -2.2661600 0.0000000 0.0000000 0.0000000 -1.1993665 0.0000000 0.0000000 0.0000000 -3.4614102 12 Se -2.2661600 0.0000000 0.0000000 0.0000000 -1.1993665 0.0000000 0.0000000 0.0000000 -3.4614102 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000003 (xyx) -0.00000003 (xyx) -0.00000003 (xxy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 12 12 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.58, Number of G-points: 307, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/129) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 129 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 0.855 ( 0.000 0.000 0.000) 0.000 1.186 ( 0.000 0.000 0.000) 0.000 1.238 ( 0.000 0.000 0.000) 0.000 1.258 ( 0.000 0.000 0.000) 0.000 1.458 ( 0.000 0.000 0.000) 0.000 1.494 ( 0.000 0.000 0.000) 0.000 1.511 ( 0.000 0.000 0.000) 0.000 1.812 ( 0.000 0.000 0.000) 0.000 1.918 ( 0.000 0.000 0.000) 0.000 2.079 ( 0.000 0.000 0.000) 0.000 2.088 ( 0.000 0.000 0.000) 0.000 2.095 ( 0.000 0.000 0.000) 0.000 2.113 ( 0.000 0.000 0.000) 0.000 2.639 ( 0.000 0.000 0.000) 0.000 3.159 ( 0.000 0.000 0.000) 0.000 3.354 ( 0.000 0.000 0.000) 0.000 3.358 ( 0.000 0.000 0.000) 0.000 3.486 ( 0.000 0.000 0.000) 0.000 3.523 ( 0.000 0.000 0.000) 0.000 3.789 ( 0.000 0.000 0.000) 0.000 3.891 ( 0.000 0.000 0.000) 0.000 4.175 ( 0.000 0.000 0.000) 0.000 4.276 ( 0.000 0.000 0.000) 0.000 4.703 ( 0.000 0.000 0.000) 0.000 4.766 ( 0.000 0.000 0.000) 0.000 4.786 ( 0.000 0.000 0.000) 0.000 4.813 ( 0.000 0.000 0.000) 0.000 4.839 ( 0.000 0.000 0.000) 0.000 4.899 ( 0.000 0.000 0.000) 0.000 5.339 ( 0.000 0.000 0.000) 0.000 5.885 ( 0.000 0.000 0.000) 0.000 6.083 ( 0.000 0.000 0.000) 0.000 6.122 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/129) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.325 ( 16.598 0.111 0.000) 16.598 0.368 ( 17.879 -1.180 0.000) 17.918 0.609 ( 28.175 -6.298 0.000) 28.871 0.897 ( 4.145 0.287 0.000) 4.155 1.185 ( -4.503 2.335 0.000) 5.072 1.225 ( 4.036 0.205 0.000) 4.041 1.293 ( 5.143 -1.582 0.000) 5.381 1.506 ( 1.050 -0.874 0.000) 1.366 1.569 ( 4.216 1.017 0.000) 4.337 1.583 ( 9.691 0.036 0.000) 9.691 1.792 ( -1.587 0.207 0.000) 1.601 1.937 ( 1.156 1.954 0.000) 2.270 2.022 ( -2.949 -0.749 0.000) 3.042 2.105 ( -0.943 -0.832 0.000) 1.258 2.105 ( 1.663 -0.028 0.000) 1.664 2.192 ( 7.778 -0.098 0.000) 7.778 2.627 ( -1.178 0.179 0.000) 1.191 3.133 ( -2.173 -0.236 0.000) 2.185 3.446 ( 8.610 -0.060 0.000) 8.610 3.498 ( 1.164 -0.051 0.000) 1.165 3.574 ( 4.674 -0.022 0.000) 4.674 3.778 ( -1.032 0.104 0.000) 1.037 3.882 ( -0.858 0.050 0.000) 0.860 4.148 ( -2.549 -0.083 0.000) 2.551 4.247 ( -2.929 -0.224 0.000) 2.937 4.455 ( 3.201 13.145 0.000) 13.529 4.593 ( -9.362 -4.873 0.000) 10.554 4.762 ( -0.220 -0.404 0.000) 0.460 4.799 ( 1.272 -0.269 0.000) 1.300 4.892 ( -0.560 0.198 0.000) 0.594 4.902 ( 5.661 0.132 0.000) 5.662 5.319 ( -2.033 0.270 0.000) 2.051 5.536 ( 6.449 24.902 0.000) 25.723 5.896 ( -7.545 -13.548 0.000) 15.507 6.083 ( 0.243 2.146 0.000) 2.160 6.111 ( -1.285 -2.117 0.000) 2.476 ======================= Grid point 2 (3/129) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( 16.128 2.009 0.000) 16.253 0.683 ( 12.619 -1.524 0.000) 12.711 1.010 ( 8.057 0.880 0.000) 8.105 1.093 ( -3.210 2.590 0.000) 4.124 1.110 ( 17.804 -4.696 0.000) 18.412 1.362 ( 11.502 1.415 0.000) 11.588 1.438 ( 8.045 -4.114 0.000) 9.036 1.543 ( 2.110 -0.993 0.000) 2.332 1.652 ( 4.688 3.584 0.000) 5.901 1.738 ( 4.500 0.123 0.000) 4.502 1.763 ( -1.375 0.876 0.000) 1.630 1.902 ( -1.862 4.737 0.000) 5.089 1.980 ( -2.492 -2.875 0.000) 3.805 2.121 ( 2.346 -1.779 0.000) 2.944 2.219 ( 11.166 0.097 0.000) 11.166 2.382 ( 11.108 -0.101 0.000) 11.108 2.591 ( -2.338 0.222 0.000) 2.348 3.100 ( -1.162 -0.536 0.000) 1.280 3.519 ( 0.436 -0.238 0.000) 0.497 3.639 ( 9.561 -0.137 0.000) 9.562 3.679 ( 5.445 -0.397 0.000) 5.459 3.750 ( -1.691 0.052 0.000) 1.692 3.864 ( -0.391 0.150 0.000) 0.419 4.091 ( -2.904 -0.090 0.000) 2.905 4.175 ( -4.225 -0.279 0.000) 4.234 4.328 ( -11.595 2.250 0.000) 11.811 4.524 ( 0.942 1.246 0.000) 1.562 4.768 ( 0.857 -0.122 0.000) 0.865 4.837 ( 2.331 -0.117 0.000) 2.333 4.880 ( -0.492 0.285 0.000) 0.568 5.001 ( 4.329 0.206 0.000) 4.334 5.260 ( -3.669 0.391 0.000) 3.689 5.526 ( 2.452 11.998 0.000) 12.245 5.793 ( -7.875 -5.631 0.000) 9.681 6.055 ( -2.126 0.520 0.000) 2.188 6.113 ( 0.625 -0.379 0.000) 0.731 ======================= Grid point 3 (4/129) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( 3.565 -0.546 0.000) 3.607 0.923 ( 14.352 4.308 0.000) 14.985 1.025 ( -2.067 1.716 0.000) 2.686 1.222 ( 12.257 -0.036 0.000) 12.257 1.347 ( 8.622 1.388 0.000) 8.733 1.560 ( 6.631 -3.632 0.000) 7.560 1.598 ( 3.340 -0.420 0.000) 3.366 1.635 ( 3.457 0.891 0.000) 3.570 1.666 ( -0.764 7.321 0.000) 7.361 1.734 ( 2.501 1.762 0.000) 3.059 1.762 ( -1.019 -0.395 0.000) 1.093 1.878 ( 0.510 -0.947 0.000) 1.076 2.017 ( 6.627 -6.428 0.000) 9.232 2.199 ( 4.148 -2.243 0.000) 4.716 2.512 ( 17.205 0.228 0.000) 17.207 2.532 ( -3.721 0.052 0.000) 3.722 2.598 ( 10.234 -0.345 0.000) 10.240 3.095 ( 0.249 -0.601 0.000) 0.651 3.496 ( -3.254 -0.459 0.000) 3.287 3.725 ( -0.621 -0.042 0.000) 0.622 3.752 ( 1.514 -0.208 0.000) 1.529 3.772 ( 3.518 -0.428 0.000) 3.544 3.906 ( 5.038 0.224 0.000) 5.043 4.054 ( -3.328 -0.053 0.000) 3.329 4.064 ( -11.090 -0.558 0.000) 11.104 4.102 ( -3.097 -0.142 0.000) 3.100 4.550 ( 2.292 1.934 0.000) 2.999 4.803 ( 2.953 0.200 0.000) 2.960 4.872 ( -0.222 0.227 0.000) 0.317 4.877 ( 1.326 0.124 0.000) 1.332 5.063 ( 2.161 0.199 0.000) 2.171 5.180 ( -4.066 0.282 0.000) 4.076 5.503 ( 0.285 6.957 0.000) 6.963 5.661 ( -7.595 -2.412 0.000) 7.969 6.007 ( -2.648 -0.514 0.000) 2.697 6.131 ( 1.225 0.788 0.000) 1.456 ======================= Grid point 4 (5/129) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( 0.402 0.437 0.000) 0.594 0.983 ( -2.052 0.034 0.000) 2.052 1.137 ( 9.884 6.401 0.000) 11.775 1.421 ( 6.458 -0.214 0.000) 6.461 1.448 ( 1.286 7.162 0.000) 7.277 1.536 ( -2.216 5.177 0.000) 5.631 1.638 ( 1.353 3.903 0.000) 4.131 1.695 ( 4.150 -2.524 0.000) 4.858 1.698 ( 7.472 0.008 0.000) 7.472 1.734 ( -1.496 -0.828 0.000) 1.710 1.794 ( 1.134 -4.743 0.000) 4.876 1.889 ( -1.514 -5.696 0.000) 5.894 2.259 ( 11.574 -3.715 0.000) 12.156 2.292 ( 4.023 -1.640 0.000) 4.344 2.440 ( -5.796 -0.230 0.000) 5.800 2.766 ( 6.488 -0.666 0.000) 6.522 2.832 ( 14.604 0.153 0.000) 14.605 3.107 ( 0.473 -0.279 0.000) 0.549 3.413 ( -4.773 -0.463 0.000) 4.795 3.721 ( -0.067 -0.005 0.000) 0.067 3.769 ( 1.515 -0.011 0.000) 1.515 3.770 ( -8.609 -0.932 0.000) 8.659 3.852 ( -2.087 0.122 0.000) 2.091 3.995 ( 3.105 0.080 0.000) 3.106 4.062 ( -1.111 -0.068 0.000) 1.113 4.103 ( 5.006 -0.177 0.000) 5.010 4.582 ( 1.322 1.083 0.000) 1.709 4.865 ( -0.450 0.090 0.000) 0.459 4.874 ( 1.177 0.387 0.000) 1.239 4.888 ( 3.413 0.059 0.000) 3.413 5.086 ( 0.413 0.093 0.000) 0.423 5.109 ( -3.124 0.112 0.000) 3.126 5.454 ( -3.404 2.217 0.000) 4.062 5.538 ( -4.700 0.966 0.000) 4.798 5.963 ( -2.118 -0.662 0.000) 2.219 6.148 ( 0.952 0.961 0.000) 1.353 ======================= Grid point 5 (6/129) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( 0.250 0.541 0.000) 0.596 0.943 ( -2.100 -0.624 0.000) 2.191 1.198 ( -0.509 6.008 0.000) 6.030 1.398 ( 1.377 4.683 0.000) 4.881 1.477 ( 0.560 0.125 0.000) 0.574 1.492 ( -1.264 4.073 0.000) 4.265 1.705 ( 5.247 2.683 0.000) 5.893 1.707 ( -1.087 -0.652 0.000) 1.267 1.741 ( 0.031 -1.775 0.000) 1.775 1.846 ( 1.577 -3.773 0.000) 4.089 1.883 ( -2.080 -5.874 0.000) 6.231 1.889 ( 10.350 0.011 0.000) 10.350 2.310 ( -7.548 -0.383 0.000) 7.558 2.357 ( 2.033 -0.695 0.000) 2.148 2.444 ( 5.614 -1.468 0.000) 5.803 2.859 ( 2.891 -0.634 0.000) 2.959 3.046 ( 7.045 0.025 0.000) 7.045 3.111 ( -0.036 0.063 0.000) 0.072 3.339 ( -2.731 -0.251 0.000) 2.742 3.605 ( -6.356 -0.934 0.000) 6.425 3.717 ( -0.258 0.054 0.000) 0.264 3.835 ( 5.217 0.139 0.000) 5.219 3.851 ( 0.293 0.528 0.000) 0.603 4.012 ( -1.361 -0.021 0.000) 1.361 4.053 ( -0.056 -0.070 0.000) 0.090 4.245 ( 8.889 -0.074 0.000) 8.890 4.557 ( -4.168 0.149 0.000) 4.171 4.854 ( -0.642 -0.003 0.000) 0.642 4.879 ( 1.489 0.153 0.000) 1.497 4.992 ( 4.870 0.113 0.000) 4.872 5.049 ( -2.949 0.061 0.000) 2.950 5.098 ( 1.866 0.087 0.000) 1.868 5.339 ( -7.237 -0.264 0.000) 7.241 5.480 ( -1.103 1.944 0.000) 2.235 5.933 ( -1.136 -0.423 0.000) 1.212 6.157 ( 0.407 0.609 0.000) 0.732 ======================= Grid point 6 (7/129) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( 0.000 -0.000 0.000) 0.000 0.920 ( 0.000 -0.000 0.000) 0.000 1.156 ( 0.000 -0.000 0.000) 0.000 1.419 ( -0.000 -0.000 0.000) 0.000 1.459 ( 0.000 -0.000 0.000) 0.000 1.478 ( 0.000 -0.000 0.000) 0.000 1.698 ( 0.000 -0.000 0.000) 0.000 1.737 ( 0.000 -0.000 0.000) 0.000 1.764 ( 0.000 0.000 0.000) 0.000 1.869 ( 0.000 -0.000 0.000) 0.000 1.879 ( -0.000 -0.000 0.000) 0.000 2.033 ( 0.000 -0.000 0.000) 0.000 2.196 ( 0.000 -0.000 0.000) 0.000 2.378 ( 0.000 -0.000 0.000) 0.000 2.500 ( 0.000 -0.000 0.000) 0.000 2.888 ( 0.000 -0.000 0.000) 0.000 3.110 ( 0.000 -0.000 0.000) 0.000 3.112 ( 0.000 -0.000 0.000) 0.000 3.313 ( 0.000 -0.000 0.000) 0.000 3.547 ( 0.000 -0.000 0.000) 0.000 3.714 ( 0.000 -0.000 0.000) 0.000 3.852 ( 0.000 -0.000 0.000) 0.000 3.942 ( -0.000 -0.000 0.000) 0.000 3.948 ( 0.000 0.000 0.000) 0.000 4.053 ( 0.000 -0.000 0.000) 0.000 4.408 ( -0.000 -0.000 0.000) 0.000 4.440 ( 0.000 -0.000 0.000) 0.000 4.846 ( 0.000 -0.000 0.000) 0.000 4.910 ( 0.000 -0.000 0.000) 0.000 5.005 ( 0.000 -0.000 0.000) 0.000 5.035 ( 0.000 -0.000 0.000) 0.000 5.193 ( -0.000 -0.000 0.000) 0.000 5.197 ( 0.000 -0.000 0.000) 0.000 5.464 ( 0.000 -0.000 0.000) 0.000 5.923 ( 0.000 -0.000 0.000) 0.000 6.159 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 14 (8/129) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( 16.593 -0.000 0.000) 16.593 0.675 ( 12.838 -0.000 0.000) 12.838 1.015 ( 8.196 -0.000 0.000) 8.196 1.082 ( 19.559 -0.000 0.000) 19.559 1.108 ( -3.893 0.000 0.000) 3.893 1.378 ( 12.302 -0.000 0.000) 12.302 1.408 ( 6.646 -0.000 0.000) 6.646 1.537 ( 2.333 -0.000 0.000) 2.333 1.672 ( 5.770 -0.000 0.000) 5.770 1.739 ( 4.390 -0.000 0.000) 4.390 1.767 ( -1.058 0.000 0.000) 1.058 1.947 ( -3.062 0.000 0.000) 3.062 1.947 ( -2.780 0.000 0.000) 2.780 2.110 ( 2.060 -0.000 0.000) 2.060 2.220 ( 11.204 -0.000 0.000) 11.204 2.382 ( 11.077 -0.000 0.000) 11.077 2.592 ( -2.382 0.000 0.000) 2.382 3.097 ( -1.162 0.000 0.000) 1.162 3.518 ( 0.398 -0.000 0.000) 0.398 3.638 ( 9.541 -0.000 0.000) 9.541 3.677 ( 5.400 -0.000 0.000) 5.400 3.750 ( -1.733 0.000 0.000) 1.733 3.865 ( -0.365 0.000 0.000) 0.365 4.090 ( -2.889 0.000 0.000) 2.889 4.174 ( -4.172 0.000 0.000) 4.172 4.340 ( -13.667 0.000 0.000) 13.667 4.530 ( 1.789 -0.000 0.000) 1.789 4.767 ( 0.962 -0.000 0.000) 0.962 4.836 ( 2.426 -0.000 0.000) 2.426 4.881 ( -0.525 0.000 0.000) 0.525 5.002 ( 4.312 -0.000 0.000) 4.312 5.262 ( -3.718 0.000 0.000) 3.718 5.607 ( -0.750 0.000 0.000) 0.750 5.748 ( -6.190 0.000 0.000) 6.190 6.058 ( -2.766 0.000 0.000) 2.766 6.110 ( 1.288 -0.000 0.000) 1.288 ======================= Grid point 15 (9/129) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( 4.158 -0.199 0.000) 4.162 0.959 ( 14.949 1.975 0.000) 15.079 1.038 ( -2.997 0.647 0.000) 3.066 1.221 ( 12.060 -0.028 0.000) 12.060 1.355 ( 10.464 0.176 0.000) 10.465 1.534 ( 5.906 -1.199 0.000) 6.026 1.595 ( 3.638 -0.157 0.000) 3.641 1.627 ( 7.782 -0.898 0.000) 7.834 1.735 ( -1.454 4.171 0.000) 4.417 1.759 ( -1.199 -0.147 0.000) 1.208 1.759 ( 0.521 1.925 0.000) 1.994 1.871 ( -3.982 -0.186 0.000) 3.986 1.957 ( 8.096 -4.124 0.000) 9.085 2.181 ( 4.511 -0.932 0.000) 4.606 2.514 ( 17.237 0.084 0.000) 17.237 2.532 ( -3.869 0.018 0.000) 3.869 2.596 ( 10.146 -0.129 0.000) 10.147 3.091 ( 0.363 -0.221 0.000) 0.425 3.493 ( -3.265 -0.169 0.000) 3.270 3.724 ( -0.637 -0.015 0.000) 0.637 3.751 ( 1.602 -0.076 0.000) 1.604 3.769 ( 3.672 -0.153 0.000) 3.676 3.908 ( 4.961 0.082 0.000) 4.962 4.055 ( -2.327 0.153 0.000) 2.332 4.059 ( -12.403 -0.344 0.000) 12.408 4.101 ( -3.026 -0.052 0.000) 3.027 4.563 ( 1.885 0.650 0.000) 1.994 4.805 ( 3.043 0.076 0.000) 3.044 4.874 ( -0.288 0.083 0.000) 0.300 4.878 ( 1.354 0.046 0.000) 1.355 5.065 ( 2.115 0.067 0.000) 2.116 5.182 ( -4.170 0.087 0.000) 4.171 5.569 ( -1.696 5.121 0.000) 5.395 5.629 ( -6.631 -3.390 0.000) 7.447 6.003 ( -2.752 -0.173 0.000) 2.758 6.137 ( 1.338 0.274 0.000) 1.366 ======================= Grid point 16 (10/129) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( 0.562 0.253 0.000) 0.616 0.983 ( -2.579 0.019 0.000) 2.579 1.195 ( 10.221 4.243 0.000) 11.067 1.419 ( 6.614 -0.120 0.000) 6.615 1.512 ( 4.623 4.395 0.000) 6.379 1.588 ( -2.545 4.131 0.000) 4.852 1.666 ( 2.411 -0.630 0.000) 2.492 1.687 ( -0.212 3.659 0.000) 3.665 1.699 ( 7.650 0.067 0.000) 7.650 1.726 ( -1.672 -0.545 0.000) 1.758 1.751 ( 0.556 -3.119 0.000) 3.168 1.821 ( -2.858 -6.971 0.000) 7.534 2.226 ( 13.150 -2.309 0.000) 13.351 2.277 ( 4.458 -0.969 0.000) 4.562 2.438 ( -5.899 -0.132 0.000) 5.901 2.760 ( 6.436 -0.380 0.000) 6.447 2.834 ( 14.535 0.088 0.000) 14.535 3.104 ( 0.681 -0.160 0.000) 0.700 3.409 ( -4.683 -0.269 0.000) 4.691 3.721 ( -0.028 -0.000 0.000) 0.028 3.762 ( -9.077 -0.579 0.000) 9.095 3.769 ( 1.601 -0.009 0.000) 1.601 3.854 ( -1.384 0.119 0.000) 1.389 3.995 ( 3.050 0.046 0.000) 3.051 4.061 ( -1.105 -0.039 0.000) 1.106 4.101 ( 5.020 -0.104 0.000) 5.021 4.591 ( 0.821 0.604 0.000) 1.019 4.866 ( -0.514 0.052 0.000) 0.517 4.878 ( 0.242 0.325 0.000) 0.405 4.887 ( 4.280 -0.063 0.000) 4.281 5.087 ( 0.372 0.054 0.000) 0.376 5.109 ( -3.198 0.037 0.000) 3.198 5.472 ( -6.140 1.116 0.000) 6.241 5.548 ( -2.774 0.750 0.000) 2.873 5.957 ( -2.032 -0.353 0.000) 2.062 6.156 ( 0.824 0.526 0.000) 0.978 ======================= Grid point 17 (11/129) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( 0.302 0.497 0.000) 0.581 0.936 ( -2.257 -0.551 0.000) 2.323 1.258 ( -1.996 5.107 0.000) 5.483 1.449 ( -1.551 4.839 0.000) 5.081 1.478 ( 0.618 0.094 0.000) 0.625 1.536 ( -2.678 4.055 0.000) 4.859 1.701 ( -0.857 -0.481 0.000) 0.982 1.705 ( 0.604 -2.940 0.000) 3.002 1.735 ( 3.684 0.404 0.000) 3.706 1.815 ( 2.773 -2.442 0.000) 3.695 1.823 ( 1.104 -4.458 0.000) 4.593 1.889 ( 10.423 0.004 0.000) 10.423 2.306 ( -7.528 -0.280 0.000) 7.533 2.350 ( 2.478 -0.510 0.000) 2.530 2.429 ( 6.392 -1.296 0.000) 6.523 2.854 ( 3.195 -0.348 0.000) 3.214 3.046 ( 7.004 0.019 0.000) 7.004 3.112 ( -0.031 -0.015 0.000) 0.034 3.337 ( -2.603 -0.186 0.000) 2.610 3.596 ( -6.069 -0.724 0.000) 6.112 3.718 ( -0.258 0.040 0.000) 0.261 3.836 ( 5.248 0.104 0.000) 5.249 3.857 ( 0.198 0.424 0.000) 0.468 4.012 ( -1.405 -0.013 0.000) 1.405 4.052 ( -0.045 -0.056 0.000) 0.072 4.244 ( 8.985 -0.055 0.000) 8.985 4.559 ( -4.500 0.101 0.000) 4.502 4.853 ( -0.662 -0.002 0.000) 0.662 4.880 ( 1.457 0.110 0.000) 1.461 4.993 ( 4.781 0.119 0.000) 4.782 5.050 ( -3.023 0.003 0.000) 3.023 5.099 ( 1.951 0.048 0.000) 1.951 5.337 ( -7.337 -0.123 0.000) 7.338 5.497 ( -1.867 1.375 0.000) 2.318 5.930 ( -0.952 -0.295 0.000) 0.997 6.163 ( 0.139 0.432 0.000) 0.454 ======================= Grid point 18 (12/129) ======================= q-point: ( 0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( -0.448 0.420 0.000) 0.614 0.917 ( 0.586 -0.416 0.000) 0.718 1.164 ( -3.287 1.329 0.000) 3.546 1.412 ( -2.699 -1.230 0.000) 2.966 1.464 ( -2.426 0.900 0.000) 2.587 1.478 ( -0.135 0.011 0.000) 0.135 1.698 ( 0.396 0.001 0.000) 0.396 1.729 ( -0.167 -1.664 0.000) 1.672 1.746 ( -1.579 -2.367 0.000) 2.845 1.882 ( 3.075 1.864 0.000) 3.596 1.889 ( 3.786 1.611 0.000) 4.114 2.033 ( -0.224 -0.012 0.000) 0.224 2.196 ( 0.472 0.009 0.000) 0.472 2.378 ( 0.312 0.039 0.000) 0.314 2.498 ( 0.539 -0.448 0.000) 0.701 2.890 ( 0.486 0.315 0.000) 0.579 3.108 ( -0.152 -0.205 0.000) 0.255 3.112 ( 0.005 0.002 0.000) 0.006 3.313 ( 0.126 -0.006 0.000) 0.126 3.546 ( 0.572 -0.056 0.000) 0.575 3.714 ( -0.045 -0.000 0.000) 0.045 3.853 ( -0.334 0.081 0.000) 0.343 3.942 ( -2.040 -0.036 0.000) 2.041 3.948 ( 1.957 0.049 0.000) 1.958 4.053 ( 0.046 -0.011 0.000) 0.048 4.408 ( -0.555 -0.019 0.000) 0.555 4.440 ( 0.626 -0.001 0.000) 0.626 4.846 ( 0.015 0.001 0.000) 0.015 4.910 ( -0.111 0.006 0.000) 0.111 5.005 ( -0.046 0.019 0.000) 0.050 5.035 ( 0.045 -0.027 0.000) 0.053 5.192 ( -5.161 -0.154 0.000) 5.163 5.198 ( 5.224 0.153 0.000) 5.226 5.464 ( -1.089 0.016 0.000) 1.089 5.923 ( 0.235 0.000 0.000) 0.235 6.159 ( -0.337 0.000 0.000) 0.337 ======================= Grid point 19 (13/129) ======================= q-point: (-0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( -0.390 -0.443 0.000) 0.591 0.949 ( 2.119 0.537 0.000) 2.186 1.137 ( -1.813 -5.189 0.000) 5.496 1.353 ( -3.174 -3.824 0.000) 4.970 1.452 ( -0.030 -3.380 0.000) 3.380 1.476 ( -0.498 -0.123 0.000) 0.513 1.673 ( -5.218 -3.202 0.000) 6.122 1.714 ( 1.353 0.648 0.000) 1.500 1.755 ( 0.262 0.813 0.000) 0.854 1.889 ( -10.269 -0.019 0.000) 10.269 1.891 ( 0.069 4.484 0.000) 4.484 1.938 ( 2.473 4.465 0.000) 5.104 2.314 ( 7.570 0.384 0.000) 7.580 2.365 ( -1.525 0.714 0.000) 1.684 2.458 ( -4.577 1.156 0.000) 4.721 2.867 ( -2.665 0.826 0.000) 2.790 3.046 ( -7.092 -0.024 0.000) 7.093 3.110 ( 0.130 -0.168 0.000) 0.213 3.342 ( 2.880 0.246 0.000) 2.890 3.615 ( 6.689 0.855 0.000) 6.744 3.717 ( 0.260 -0.053 0.000) 0.265 3.833 ( -5.185 -0.135 0.000) 5.187 3.846 ( -0.419 -0.451 0.000) 0.616 4.013 ( 1.306 0.024 0.000) 1.306 4.053 ( 0.075 0.064 0.000) 0.098 4.245 ( -8.778 0.072 0.000) 8.778 4.556 ( 3.787 -0.162 0.000) 3.791 4.854 ( 0.620 0.004 0.000) 0.620 4.877 ( -1.527 -0.155 0.000) 1.535 4.991 ( -5.033 -0.059 0.000) 5.033 5.048 ( 2.910 -0.122 0.000) 2.913 5.097 ( -1.766 -0.113 0.000) 1.769 5.342 ( 7.240 0.432 0.000) 7.253 5.458 ( 0.103 -2.076 0.000) 2.079 5.938 ( 1.373 0.448 0.000) 1.444 6.150 ( -0.741 -0.634 0.000) 0.975 ======================= Grid point 20 (14/129) ======================= q-point: (-0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.866 ( -0.189 -0.502 0.000) 0.537 0.982 ( 1.331 -0.041 0.000) 1.331 1.067 ( -9.081 -6.578 0.000) 11.213 1.370 ( -0.079 -7.370 0.000) 7.371 1.423 ( -6.241 0.256 0.000) 6.246 1.484 ( 1.341 -4.547 0.000) 4.741 1.597 ( -3.013 -3.704 0.000) 4.775 1.699 ( -7.482 0.074 0.000) 7.482 1.721 ( -3.199 2.259 0.000) 3.916 1.743 ( 1.512 0.860 0.000) 1.739 1.846 ( -2.001 5.064 0.000) 5.445 1.940 ( -0.158 3.879 0.000) 3.882 2.300 ( -9.412 3.902 0.000) 10.189 2.310 ( -3.850 1.906 0.000) 4.296 2.443 ( 5.654 0.266 0.000) 5.661 2.773 ( -6.602 0.781 0.000) 6.648 2.830 ( -14.699 -0.177 0.000) 14.700 3.110 ( -0.173 0.327 0.000) 0.370 3.419 ( 4.895 0.532 0.000) 4.924 3.721 ( 0.122 0.014 0.000) 0.123 3.769 ( -1.399 0.005 0.000) 1.399 3.780 ( 7.667 0.884 0.000) 7.718 3.852 ( 3.407 0.081 0.000) 3.408 3.994 ( -3.182 -0.095 0.000) 3.183 4.062 ( 1.119 0.079 0.000) 1.121 4.105 ( -4.988 0.199 0.000) 4.992 4.569 ( -2.085 -1.317 0.000) 2.466 4.864 ( 0.362 -0.103 0.000) 0.376 4.871 ( -1.627 -0.280 0.000) 1.651 4.886 ( -3.058 -0.226 0.000) 3.066 5.085 ( -0.495 -0.115 0.000) 0.509 5.107 ( 3.031 -0.201 0.000) 3.037 5.427 ( 0.350 -2.817 0.000) 2.838 5.529 ( 6.709 -0.773 0.000) 6.753 5.971 ( 2.279 0.869 0.000) 2.439 6.136 ( -1.169 -1.213 0.000) 1.685 ======================= Grid point 21 (15/129) ======================= q-point: (-0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( -2.495 0.749 0.000) 2.605 0.877 ( -12.755 -3.942 0.000) 13.350 1.004 ( 0.570 -2.248 0.000) 2.319 1.222 ( -12.723 -0.023 0.000) 12.723 1.325 ( -6.326 -2.774 0.000) 6.908 1.564 ( 0.365 -7.981 0.000) 7.989 1.603 ( -2.886 0.554 0.000) 2.939 1.604 ( -4.541 0.265 0.000) 4.549 1.623 ( -0.128 -0.680 0.000) 0.692 1.740 ( -6.851 2.710 0.000) 7.368 1.766 ( 0.725 0.525 0.000) 0.895 1.888 ( -3.333 0.848 0.000) 3.439 2.083 ( -7.129 5.900 0.000) 9.254 2.225 ( -3.914 2.543 0.000) 4.667 2.509 ( -17.203 -0.305 0.000) 17.206 2.531 ( 3.518 -0.076 0.000) 3.519 2.603 ( -10.380 0.458 0.000) 10.390 3.103 ( -0.066 0.815 0.000) 0.817 3.502 ( 3.234 0.621 0.000) 3.293 3.725 ( 0.591 0.060 0.000) 0.594 3.755 ( -1.362 0.285 0.000) 1.391 3.778 ( -3.183 0.601 0.000) 3.240 3.903 ( -5.171 -0.309 0.000) 5.180 4.056 ( 2.015 0.297 0.000) 2.037 4.071 ( 11.943 0.818 0.000) 11.971 4.103 ( 3.217 0.192 0.000) 3.223 4.523 ( -3.233 -3.099 0.000) 4.479 4.801 ( -2.813 -0.253 0.000) 2.824 4.869 ( 0.105 -0.312 0.000) 0.329 4.875 ( -1.252 -0.169 0.000) 1.263 5.061 ( -2.259 -0.316 0.000) 2.281 5.176 ( 3.816 -0.525 0.000) 3.852 5.428 ( -2.695 -7.075 0.000) 7.570 5.681 ( 8.591 1.351 0.000) 8.697 6.014 ( 2.450 0.839 0.000) 2.590 6.120 ( -1.010 -1.209 0.000) 1.575 ======================= Grid point 22 (16/129) ======================= q-point: (-0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.626 ( -13.896 -0.077 0.000) 13.896 0.706 ( -12.009 2.837 0.000) 12.339 0.995 ( -7.337 -2.039 0.000) 7.615 1.057 ( 1.098 -3.963 0.000) 4.113 1.164 ( -12.959 4.669 0.000) 13.774 1.359 ( -13.476 0.827 0.000) 13.502 1.482 ( -7.826 3.978 0.000) 8.779 1.556 ( -1.642 1.436 0.000) 2.181 1.605 ( -2.881 -4.675 0.000) 5.491 1.736 ( -4.799 -0.193 0.000) 4.803 1.747 ( 2.659 -2.023 0.000) 3.341 1.851 ( -0.480 -4.753 0.000) 4.777 2.008 ( 0.880 2.418 0.000) 2.573 2.141 ( -3.135 1.921 0.000) 3.677 2.218 ( -11.066 -0.172 0.000) 11.067 2.384 ( -11.186 0.186 0.000) 11.188 2.588 ( 2.215 -0.386 0.000) 2.248 3.107 ( 1.158 0.898 0.000) 1.465 3.523 ( -0.538 0.409 0.000) 0.676 3.641 ( -9.619 0.231 0.000) 9.621 3.686 ( -5.549 0.821 0.000) 5.610 3.749 ( 1.573 -0.104 0.000) 1.577 3.862 ( 0.470 -0.237 0.000) 0.526 4.092 ( 2.955 0.224 0.000) 2.963 4.179 ( 4.367 0.474 0.000) 4.393 4.294 ( 5.980 -3.990 0.000) 7.189 4.503 ( 1.248 -2.607 0.000) 2.890 4.769 ( -0.567 0.217 0.000) 0.608 4.839 ( -2.058 0.258 0.000) 2.074 4.876 ( 0.399 -0.502 0.000) 0.641 4.998 ( -4.375 -0.411 0.000) 4.394 5.251 ( 3.044 -1.511 0.000) 3.398 5.393 ( -6.290 -11.968 0.000) 13.520 5.843 ( 9.410 3.723 0.000) 10.120 6.048 ( 0.849 -0.778 0.000) 1.151 6.118 ( 0.716 0.543 0.000) 0.898 ======================= Grid point 23 (17/129) ======================= q-point: (-0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.350 ( -12.416 5.717 0.000) 13.669 0.391 ( -17.186 3.177 0.000) 17.477 0.715 ( -24.353 12.245 0.000) 27.258 0.890 ( -4.021 -0.957 0.000) 4.133 1.141 ( 3.745 -5.731 0.000) 6.846 1.224 ( -2.585 0.354 0.000) 2.610 1.322 ( -6.066 3.620 0.000) 7.064 1.522 ( -1.228 1.769 0.000) 2.154 1.548 ( -4.168 -2.805 0.000) 5.024 1.582 ( -9.084 -0.094 0.000) 9.084 1.785 ( 1.791 -1.131 0.000) 2.118 1.901 ( 1.081 -4.543 0.000) 4.670 2.035 ( 1.471 1.346 0.000) 1.994 2.104 ( -1.814 -0.049 0.000) 1.815 2.115 ( 2.389 0.533 0.000) 2.448 2.196 ( -6.921 0.532 0.000) 6.941 2.623 ( 1.134 -0.492 0.000) 1.236 3.138 ( 2.101 0.619 0.000) 2.190 3.447 ( -8.597 0.163 0.000) 8.598 3.499 ( -1.234 0.138 0.000) 1.242 3.575 ( -4.903 0.107 0.000) 4.904 3.776 ( 0.965 -0.293 0.000) 1.009 3.881 ( 0.873 -0.117 0.000) 0.881 4.150 ( 2.566 0.231 0.000) 2.576 4.252 ( 2.981 0.599 0.000) 3.041 4.262 ( -17.109 -21.484 0.000) 27.464 4.627 ( 8.680 1.499 0.000) 8.808 4.769 ( 0.840 1.008 0.000) 1.312 4.804 ( -1.059 0.744 0.000) 1.294 4.888 ( 0.520 -0.551 0.000) 0.757 4.900 ( -5.634 -0.332 0.000) 5.643 5.250 ( -14.976 -20.459 0.000) 25.355 5.327 ( -0.444 -2.060 0.000) 2.107 6.008 ( 10.704 6.976 0.000) 12.777 6.059 ( -0.287 -2.251 0.000) 2.269 6.135 ( 1.370 2.182 0.000) 2.576 ======================= Grid point 24 (18/129) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.087 ( 0.000 8.101 0.000) 8.101 0.167 ( 0.000 15.673 0.000) 15.673 0.244 ( 0.000 22.869 0.000) 22.869 0.853 ( -0.000 -0.470 0.000) 0.470 1.199 ( 0.000 2.527 0.000) 2.527 1.226 ( -0.000 -5.527 0.000) 5.527 1.242 ( 0.000 0.817 0.000) 0.817 1.458 ( -0.000 -0.007 0.000) 0.007 1.502 ( -0.000 -1.634 0.000) 1.634 1.509 ( 0.000 2.359 0.000) 2.359 1.850 ( -0.000 -2.280 0.000) 2.280 1.913 ( -0.000 -0.928 0.000) 0.928 2.069 ( -0.000 -1.922 0.000) 1.922 2.088 ( 0.000 0.157 0.000) 0.157 2.094 ( -0.000 -0.052 0.000) 0.052 2.444 ( -0.000 -3.260 0.000) 3.260 2.636 ( -0.000 -0.386 0.000) 0.386 3.166 ( 0.000 0.254 0.000) 0.254 3.354 ( 0.000 0.135 0.000) 0.135 3.359 ( 0.000 0.146 0.000) 0.146 3.486 ( 0.000 0.027 0.000) 0.027 3.523 ( 0.000 0.046 0.000) 0.046 3.787 ( -0.000 -0.269 0.000) 0.269 3.890 ( -0.000 -0.080 0.000) 0.080 4.176 ( 0.000 0.257 0.000) 0.257 4.279 ( 0.000 0.477 0.000) 0.477 4.736 ( -0.000 -0.611 0.000) 0.611 4.791 ( 0.000 0.890 0.000) 0.890 4.813 ( 0.000 0.087 0.000) 0.087 4.839 ( 0.000 0.085 0.000) 0.085 4.897 ( -0.000 -0.424 0.000) 0.424 4.914 ( -0.000 -1.617 0.000) 1.617 5.339 ( -0.000 -0.038 0.000) 0.038 6.067 ( -0.000 -2.286 0.000) 2.286 6.137 ( 0.000 2.275 0.000) 2.275 6.175 ( -0.000 -0.047 0.000) 0.047 ======================= Grid point 27 (19/129) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( 0.620 -0.000 0.000) 0.620 0.983 ( -2.772 0.000 0.000) 2.772 1.219 ( 10.291 -0.000 0.000) 10.291 1.418 ( 6.671 -0.000 0.000) 6.671 1.535 ( 6.254 -0.000 0.000) 6.254 1.610 ( 1.352 -0.000 0.000) 1.352 1.660 ( -1.559 0.000 0.000) 1.559 1.699 ( 7.847 -0.000 0.000) 7.847 1.723 ( -1.869 0.000 0.000) 1.869 1.732 ( 0.631 -0.000 0.000) 0.631 1.746 ( -6.190 0.000 0.000) 6.190 1.748 ( 0.641 -0.000 0.000) 0.641 2.213 ( 13.787 -0.000 0.000) 13.787 2.272 ( 4.638 -0.000 0.000) 4.638 2.437 ( -5.937 0.000 0.000) 5.937 2.758 ( 6.423 -0.000 0.000) 6.423 2.834 ( 14.509 -0.000 0.000) 14.509 3.104 ( 0.755 -0.000 0.000) 0.755 3.408 ( -4.650 0.000 0.000) 4.650 3.721 ( -0.014 0.000 0.000) 0.014 3.759 ( -9.214 0.000 0.000) 9.214 3.769 ( 1.634 -0.000 0.000) 1.634 3.854 ( -1.168 0.000 0.000) 1.168 3.996 ( 3.030 -0.000 0.000) 3.030 4.061 ( -1.103 0.000 0.000) 1.103 4.101 ( 5.025 -0.000 0.000) 5.025 4.594 ( 0.648 -0.000 0.000) 0.648 4.866 ( -0.538 0.000 0.000) 0.538 4.880 ( -0.774 0.000 0.000) 0.774 4.887 ( 5.272 -0.000 0.000) 5.272 5.087 ( 0.361 -0.000 0.000) 0.361 5.109 ( -3.227 0.000 0.000) 3.227 5.478 ( -7.178 0.000 0.000) 7.178 5.552 ( -2.042 0.000 0.000) 2.042 5.955 ( -2.005 0.000 0.000) 2.005 6.159 ( 0.782 -0.000 0.000) 0.782 ======================= Grid point 28 (20/129) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( 0.472 0.217 0.000) 0.520 0.932 ( -2.489 -0.236 0.000) 2.500 1.298 ( -2.539 2.062 0.000) 3.271 1.479 ( 0.653 0.035 0.000) 0.654 1.493 ( -4.961 2.741 0.000) 5.667 1.571 ( -4.046 2.007 0.000) 4.516 1.677 ( 0.933 -1.384 0.000) 1.669 1.697 ( -0.723 -0.177 0.000) 0.745 1.719 ( 1.195 -2.608 0.000) 2.869 1.793 ( 4.877 -0.594 0.000) 4.913 1.805 ( 5.144 -0.515 0.000) 5.169 1.890 ( 10.467 0.000 0.000) 10.467 2.304 ( -7.517 -0.102 0.000) 7.517 2.347 ( 2.739 -0.188 0.000) 2.745 2.419 ( 6.800 -0.527 0.000) 6.820 2.852 ( 3.415 -0.104 0.000) 3.417 3.046 ( 6.981 0.007 0.000) 6.982 3.111 ( -0.060 -0.018 0.000) 0.063 3.335 ( -2.530 -0.069 0.000) 2.531 3.591 ( -5.905 -0.272 0.000) 5.911 3.718 ( -0.259 0.015 0.000) 0.260 3.837 ( 5.267 0.039 0.000) 5.267 3.860 ( 0.152 0.162 0.000) 0.222 4.012 ( -1.430 -0.004 0.000) 1.430 4.052 ( -0.041 -0.021 0.000) 0.046 4.243 ( 9.040 -0.020 0.000) 9.040 4.559 ( -4.694 0.035 0.000) 4.694 4.853 ( -0.673 -0.001 0.000) 0.673 4.881 ( 1.438 0.040 0.000) 1.439 4.994 ( 4.753 0.052 0.000) 4.754 5.050 ( -3.086 -0.008 0.000) 3.086 5.099 ( 1.999 0.015 0.000) 1.999 5.336 ( -7.417 -0.033 0.000) 7.417 5.507 ( -2.287 0.496 0.000) 2.340 5.927 ( -0.853 -0.105 0.000) 0.860 6.166 ( -0.008 0.155 0.000) 0.156 ======================= Grid point 29 (21/129) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( -1.137 0.587 0.000) 1.279 0.912 ( 1.375 -0.582 0.000) 1.494 1.180 ( -5.868 1.502 0.000) 6.057 1.397 ( -4.698 -1.362 0.000) 4.892 1.475 ( -4.199 1.007 0.000) 4.318 1.478 ( -0.233 0.011 0.000) 0.234 1.698 ( 0.687 0.001 0.000) 0.687 1.703 ( -2.613 -2.508 0.000) 3.622 1.730 ( 1.991 -0.891 0.000) 2.181 1.900 ( 4.115 1.402 0.000) 4.348 1.906 ( 5.556 1.295 0.000) 5.705 2.033 ( -0.387 -0.012 0.000) 0.387 2.196 ( 0.816 0.009 0.000) 0.816 2.378 ( 0.560 0.052 0.000) 0.562 2.492 ( 0.932 -0.462 0.000) 1.041 2.894 ( 0.852 0.318 0.000) 0.909 3.106 ( -0.275 -0.211 0.000) 0.346 3.112 ( 0.009 0.002 0.000) 0.010 3.313 ( 0.218 -0.006 0.000) 0.218 3.546 ( 0.986 -0.055 0.000) 0.987 3.714 ( -0.078 -0.000 0.000) 0.078 3.854 ( -0.573 0.080 0.000) 0.579 3.941 ( -3.098 -0.031 0.000) 3.098 3.949 ( 2.953 0.043 0.000) 2.953 4.053 ( 0.080 -0.011 0.000) 0.081 4.407 ( -0.954 -0.019 0.000) 0.954 4.440 ( 1.077 -0.001 0.000) 1.077 4.846 ( 0.026 0.001 0.000) 0.026 4.910 ( -0.192 0.006 0.000) 0.192 5.005 ( -0.086 0.019 0.000) 0.088 5.035 ( 0.085 -0.027 0.000) 0.089 5.191 ( -6.122 -0.105 0.000) 6.123 5.200 ( 6.230 0.105 0.000) 6.231 5.464 ( -1.885 0.016 0.000) 1.885 5.923 ( 0.407 0.000 0.000) 0.407 6.159 ( -0.584 0.000 0.000) 0.584 ======================= Grid point 30 (22/129) ======================= q-point: (-0.58 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( -0.616 -0.281 0.000) 0.677 0.954 ( 2.240 0.356 0.000) 2.269 1.092 ( -4.276 -3.390 0.000) 5.457 1.319 ( -3.874 -2.543 0.000) 4.634 1.423 ( -1.281 -2.193 0.000) 2.540 1.474 ( -0.448 -0.089 0.000) 0.456 1.642 ( -4.658 -2.397 0.000) 5.238 1.720 ( 1.584 0.474 0.000) 1.653 1.760 ( 0.632 0.274 0.000) 0.689 1.889 ( -10.205 -0.019 0.000) 10.205 1.936 ( 0.898 3.809 0.000) 3.914 1.974 ( 2.247 2.262 0.000) 3.188 2.317 ( 7.588 0.282 0.000) 7.593 2.371 ( -1.103 0.557 0.000) 1.235 2.468 ( -3.531 0.661 0.000) 3.593 2.875 ( -2.584 0.734 0.000) 2.686 3.046 ( -7.135 -0.016 0.000) 7.135 3.108 ( 0.296 -0.199 0.000) 0.357 3.344 ( 3.010 0.177 0.000) 3.015 3.623 ( 6.970 0.565 0.000) 6.993 3.716 ( 0.262 -0.039 0.000) 0.265 3.832 ( -5.161 -0.096 0.000) 5.162 3.842 ( -0.535 -0.270 0.000) 0.599 4.013 ( 1.255 0.019 0.000) 1.255 4.054 ( 0.095 0.043 0.000) 0.104 4.246 ( -8.681 0.051 0.000) 8.682 4.554 ( 3.459 -0.128 0.000) 3.462 4.854 ( 0.601 0.004 0.000) 0.601 4.876 ( -1.560 -0.115 0.000) 1.564 4.991 ( -5.226 -0.008 0.000) 5.226 5.047 ( 2.913 -0.128 0.000) 2.916 5.096 ( -1.676 -0.101 0.000) 1.679 5.348 ( 7.528 0.511 0.000) 7.546 5.438 ( -1.046 -1.691 0.000) 1.988 5.942 ( 1.605 0.347 0.000) 1.642 6.144 ( -1.058 -0.482 0.000) 1.162 ======================= Grid point 31 (23/129) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( 0.020 -0.433 0.000) 0.434 0.982 ( 0.611 -0.037 0.000) 0.612 1.003 ( -7.849 -5.303 0.000) 9.473 1.299 ( -0.854 -5.784 0.000) 5.847 1.426 ( -6.020 0.228 0.000) 6.025 1.441 ( 1.406 -3.470 0.000) 3.744 1.562 ( -4.230 -2.840 0.000) 5.095 1.700 ( -7.557 0.106 0.000) 7.558 1.741 ( -2.253 1.507 0.000) 2.710 1.751 ( 1.597 0.694 0.000) 1.741 1.897 ( -2.550 4.517 0.000) 5.187 1.970 ( -1.544 1.910 0.000) 2.456 2.328 ( -2.858 1.563 0.000) 3.257 2.340 ( -8.430 3.222 0.000) 9.025 2.445 ( 5.513 0.231 0.000) 5.518 2.781 ( -6.763 0.687 0.000) 6.798 2.829 ( -14.795 -0.154 0.000) 14.796 3.113 ( 0.143 0.287 0.000) 0.321 3.424 ( 5.016 0.458 0.000) 5.037 3.721 ( 0.181 0.019 0.000) 0.182 3.769 ( -1.287 -0.002 0.000) 1.287 3.788 ( 6.335 0.498 0.000) 6.354 3.854 ( 5.193 0.369 0.000) 5.206 3.993 ( -3.259 -0.084 0.000) 3.260 4.063 ( 1.128 0.068 0.000) 1.130 4.107 ( -4.969 0.167 0.000) 4.972 4.556 ( -2.955 -1.209 0.000) 3.193 4.863 ( 0.273 -0.089 0.000) 0.287 4.869 ( -1.733 -0.057 0.000) 1.734 4.883 ( -3.053 -0.378 0.000) 3.076 5.083 ( -0.603 -0.115 0.000) 0.614 5.104 ( 2.934 -0.233 0.000) 2.943 5.398 ( -1.885 -2.523 0.000) 3.149 5.522 ( 7.986 -0.499 0.000) 8.001 5.980 ( 2.525 0.886 0.000) 2.675 6.123 ( -1.470 -1.182 0.000) 1.887 ======================= Grid point 32 (24/129) ======================= q-point: (-0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( -9.948 -1.855 0.000) 10.120 0.856 ( -1.174 0.757 0.000) 1.397 0.980 ( -1.062 -2.170 0.000) 2.416 1.221 ( -13.402 -0.083 0.000) 13.403 1.288 ( -3.836 -4.207 0.000) 5.693 1.483 ( -1.181 -6.437 0.000) 6.544 1.558 ( 1.604 -5.455 0.000) 5.686 1.609 ( -2.448 0.535 0.000) 2.506 1.660 ( -4.217 3.930 0.000) 5.764 1.772 ( 0.412 0.509 0.000) 0.654 1.778 ( -7.648 4.087 0.000) 8.672 1.895 ( -5.095 0.379 0.000) 5.109 2.139 ( -8.158 4.642 0.000) 9.386 2.250 ( -3.995 2.117 0.000) 4.522 2.506 ( -17.247 -0.301 0.000) 17.250 2.530 ( 3.329 -0.080 0.000) 3.330 2.607 ( -10.535 0.446 0.000) 10.544 3.112 ( 0.126 0.806 0.000) 0.816 3.509 ( 3.210 0.613 0.000) 3.268 3.726 ( 0.555 0.064 0.000) 0.558 3.758 ( -1.183 0.284 0.000) 1.217 3.785 ( -2.683 0.610 0.000) 2.751 3.900 ( -5.324 -0.313 0.000) 5.333 4.060 ( 0.696 0.332 0.000) 0.771 4.082 ( 12.990 1.280 0.000) 13.053 4.105 ( 3.353 0.191 0.000) 3.358 4.486 ( -4.858 -3.829 0.000) 6.185 4.798 ( -2.677 -0.222 0.000) 2.686 4.866 ( -0.033 -0.314 0.000) 0.316 4.873 ( -1.116 -0.180 0.000) 1.130 5.057 ( -2.399 -0.377 0.000) 2.429 5.169 ( 3.304 -0.776 0.000) 3.394 5.359 ( -4.340 -5.726 0.000) 7.184 5.691 ( 9.263 0.683 0.000) 9.288 6.024 ( 2.191 1.134 0.000) 2.467 6.106 ( -0.727 -1.500 0.000) 1.666 ======================= Grid point 33 (25/129) ======================= q-point: (-0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( -9.573 4.192 0.000) 10.450 0.741 ( -11.126 3.759 0.000) 11.744 0.966 ( -5.341 -3.517 0.000) 6.394 1.016 ( -2.712 -3.715 0.000) 4.599 1.198 ( -7.493 1.741 0.000) 7.693 1.367 ( -13.973 -0.546 0.000) 13.984 1.514 ( -5.645 1.906 0.000) 5.958 1.571 ( -1.226 1.337 0.000) 1.814 1.573 ( -4.063 -0.375 0.000) 4.080 1.722 ( 3.971 -2.512 0.000) 4.699 1.734 ( -5.194 -0.191 0.000) 5.197 1.807 ( -3.748 -3.524 0.000) 5.144 2.030 ( -1.004 1.697 0.000) 1.972 2.158 ( -4.239 1.240 0.000) 4.416 2.216 ( -10.939 -0.206 0.000) 10.941 2.386 ( -11.290 0.228 0.000) 11.293 2.583 ( 2.045 -0.450 0.000) 2.093 3.118 ( 1.140 0.992 0.000) 1.511 3.528 ( -0.674 0.469 0.000) 0.821 3.643 ( -9.703 0.258 0.000) 9.706 3.696 ( -5.620 1.215 0.000) 5.750 3.748 ( 1.408 -0.144 0.000) 1.416 3.860 ( 0.592 -0.236 0.000) 0.637 4.095 ( 3.009 0.314 0.000) 3.025 4.185 ( 4.553 0.533 0.000) 4.584 4.247 ( -1.717 -4.720 0.000) 5.023 4.469 ( 4.241 -3.738 0.000) 5.653 4.772 ( -0.169 0.257 0.000) 0.308 4.842 ( -1.652 0.397 0.000) 1.699 4.870 ( 0.267 -0.593 0.000) 0.650 4.992 ( -4.440 -0.574 0.000) 4.477 5.214 ( -2.877 -6.241 0.000) 6.872 5.301 ( -2.779 -4.582 0.000) 5.358 5.873 ( 10.113 2.073 0.000) 10.323 6.040 ( -0.331 -0.784 0.000) 0.851 6.123 ( 1.989 0.526 0.000) 2.058 ======================= Grid point 34 (26/129) ======================= q-point: (-0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.432 ( -16.302 4.301 0.000) 16.860 0.445 ( -6.103 11.763 0.000) 13.252 0.847 ( -20.231 12.205 0.000) 23.627 0.875 ( -3.837 -1.919 0.000) 4.290 1.073 ( 2.827 -6.772 0.000) 7.338 1.233 ( -0.998 1.308 0.000) 1.646 1.366 ( -6.528 4.611 0.000) 7.993 1.512 ( -4.119 -3.807 0.000) 5.609 1.540 ( -2.227 1.570 0.000) 2.725 1.581 ( -7.696 -0.102 0.000) 7.697 1.765 ( 0.746 -2.824 0.000) 2.921 1.849 ( 3.243 -4.965 0.000) 5.930 2.046 ( -0.243 0.593 0.000) 0.641 2.104 ( -1.831 -0.085 0.000) 1.833 2.112 ( 2.416 -1.105 0.000) 2.656 2.201 ( -5.475 0.376 0.000) 5.488 2.617 ( 1.054 -0.680 0.000) 1.255 3.145 ( 1.967 0.790 0.000) 2.120 3.449 ( -8.571 0.219 0.000) 8.574 3.501 ( -1.353 0.187 0.000) 1.366 3.577 ( -5.395 0.306 0.000) 5.403 3.773 ( 0.851 -0.421 0.000) 0.949 3.880 ( 0.901 -0.116 0.000) 0.908 4.038 ( -27.543 -19.296 0.000) 33.630 4.156 ( 2.490 0.609 0.000) 2.563 4.259 ( 3.066 0.787 0.000) 3.165 4.628 ( 7.871 -1.129 0.000) 7.952 4.781 ( 1.444 1.154 0.000) 1.848 4.814 ( -0.757 1.065 0.000) 1.307 4.881 ( 0.447 -0.775 0.000) 0.894 4.896 ( -5.472 -0.430 0.000) 5.489 5.079 ( -13.932 -11.654 0.000) 18.164 5.321 ( 1.604 -0.211 0.000) 1.618 6.036 ( -0.538 -1.970 0.000) 2.042 6.056 ( 9.692 2.797 0.000) 10.088 6.156 ( 1.697 1.898 0.000) 2.546 ======================= Grid point 35 (27/129) ======================= q-point: (-0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.170 ( 0.000 7.541 0.000) 7.541 0.329 ( 0.000 14.775 0.000) 14.775 0.480 ( 0.000 21.756 0.000) 21.756 0.844 ( -0.000 -1.206 0.000) 1.206 1.153 ( -0.000 -7.764 0.000) 7.764 1.238 ( 0.000 4.714 0.000) 4.714 1.254 ( 0.000 1.466 0.000) 1.466 1.458 ( -0.000 -0.013 0.000) 0.013 1.477 ( -0.000 -3.080 0.000) 3.080 1.535 ( 0.000 2.414 0.000) 2.414 1.814 ( -0.000 -4.426 0.000) 4.426 1.899 ( -0.000 -1.636 0.000) 1.636 2.041 ( -0.000 -3.256 0.000) 3.256 2.091 ( 0.000 0.241 0.000) 0.241 2.093 ( -0.000 -0.101 0.000) 0.101 2.394 ( -0.000 -6.074 0.000) 6.074 2.631 ( -0.000 -0.679 0.000) 0.679 3.170 ( 0.000 0.415 0.000) 0.415 3.356 ( 0.000 0.236 0.000) 0.236 3.361 ( 0.000 0.255 0.000) 0.255 3.486 ( 0.000 0.045 0.000) 0.045 3.524 ( 0.000 0.079 0.000) 0.079 3.783 ( -0.000 -0.480 0.000) 0.480 3.889 ( -0.000 -0.103 0.000) 0.103 4.181 ( 0.000 0.633 0.000) 0.633 4.286 ( 0.000 0.796 0.000) 0.796 4.726 ( -0.000 -1.397 0.000) 1.397 4.803 ( 0.000 1.358 0.000) 1.358 4.814 ( 0.000 0.151 0.000) 0.151 4.840 ( 0.000 0.147 0.000) 0.147 4.891 ( -0.000 -0.754 0.000) 0.754 4.891 ( -0.000 -2.488 0.000) 2.488 5.339 ( -0.000 -0.059 0.000) 0.059 6.042 ( -0.000 -2.324 0.000) 2.324 6.162 ( 0.000 2.326 0.000) 2.326 6.174 ( -0.000 -0.080 0.000) 0.080 ======================= Grid point 40 (28/129) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( -1.875 0.000 0.000) 1.875 0.908 ( 2.151 -0.000 0.000) 2.151 1.189 ( -6.909 0.000 0.000) 6.909 1.389 ( -5.350 0.000 0.000) 5.350 1.478 ( -0.270 0.000 0.000) 0.270 1.481 ( -4.958 0.000 0.000) 4.958 1.688 ( -2.557 0.000 0.000) 2.557 1.698 ( 0.793 -0.000 0.000) 0.793 1.725 ( 2.748 -0.000 0.000) 2.748 1.908 ( 5.118 -0.000 0.000) 5.118 1.913 ( 5.304 -0.000 0.000) 5.304 2.033 ( -0.446 0.000 0.000) 0.446 2.196 ( 0.942 -0.000 0.000) 0.942 2.379 ( 0.659 -0.000 0.000) 0.659 2.490 ( 1.076 -0.000 0.000) 1.076 2.896 ( 0.990 -0.000 0.000) 0.990 3.105 ( -0.324 0.000 0.000) 0.324 3.112 ( 0.011 -0.000 0.000) 0.011 3.313 ( 0.252 -0.000 0.000) 0.252 3.545 ( 1.135 -0.000 0.000) 1.135 3.714 ( -0.090 0.000 0.000) 0.090 3.854 ( -0.659 0.000 0.000) 0.659 3.941 ( -3.387 0.000 0.000) 3.387 3.949 ( 3.220 -0.000 0.000) 3.220 4.053 ( 0.093 -0.000 0.000) 0.093 4.407 ( -1.097 0.000 0.000) 1.097 4.440 ( 1.239 -0.000 0.000) 1.239 4.846 ( 0.030 -0.000 0.000) 0.030 4.910 ( -0.221 0.000 0.000) 0.221 5.005 ( -0.103 0.000 0.000) 0.103 5.035 ( 0.102 -0.000 0.000) 0.102 5.190 ( -6.285 0.000 0.000) 6.285 5.200 ( 6.409 -0.000 0.000) 6.409 5.464 ( -2.177 0.000 0.000) 2.177 5.923 ( 0.470 -0.000 0.000) 0.470 6.159 ( -0.675 0.000 0.000) 0.675 ======================= Grid point 41 (29/129) ======================= q-point: (-0.67 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( -0.779 -0.095 0.000) 0.784 0.956 ( 2.343 0.124 0.000) 2.346 1.067 ( -5.897 -1.165 0.000) 6.011 1.300 ( -3.941 -0.902 0.000) 4.043 1.407 ( -2.149 -0.750 0.000) 2.276 1.474 ( -0.420 -0.032 0.000) 0.421 1.625 ( -4.219 -0.886 0.000) 4.311 1.724 ( 1.719 0.173 0.000) 1.728 1.762 ( 0.906 0.060 0.000) 0.908 1.889 ( -10.171 -0.008 0.000) 10.171 1.967 ( 1.324 2.000 0.000) 2.398 1.986 ( 1.889 0.129 0.000) 1.893 2.319 ( 7.599 0.103 0.000) 7.599 2.376 ( -0.879 0.216 0.000) 0.905 2.472 ( -2.849 0.203 0.000) 2.856 2.881 ( -2.590 0.298 0.000) 2.607 3.045 ( -7.160 -0.006 0.000) 7.160 3.106 ( 0.432 -0.091 0.000) 0.442 3.345 ( 3.086 0.064 0.000) 3.087 3.627 ( 7.125 0.192 0.000) 7.128 3.716 ( 0.265 -0.014 0.000) 0.265 3.831 ( -5.149 -0.035 0.000) 5.149 3.840 ( -0.599 -0.084 0.000) 0.605 4.013 ( 1.224 0.008 0.000) 1.224 4.054 ( 0.109 0.015 0.000) 0.110 4.246 ( -8.625 0.019 0.000) 8.625 4.553 ( 3.271 -0.049 0.000) 3.271 4.854 ( 0.590 0.001 0.000) 0.590 4.875 ( -1.579 -0.042 0.000) 1.579 4.991 ( -5.363 0.005 0.000) 5.363 5.046 ( 2.933 -0.055 0.000) 2.933 5.095 ( -1.622 -0.041 0.000) 1.622 5.352 ( 8.061 0.267 0.000) 8.065 5.424 ( -2.072 -0.694 0.000) 2.185 5.945 ( 1.753 0.131 0.000) 1.758 6.141 ( -1.254 -0.181 0.000) 1.267 ======================= Grid point 42 (30/129) ======================= q-point: (-0.58 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( 0.170 -0.250 0.000) 0.302 0.959 ( -6.638 -2.959 0.000) 7.268 0.982 ( 0.084 -0.022 0.000) 0.087 1.251 ( -2.105 -3.149 0.000) 3.788 1.412 ( 1.677 -1.907 0.000) 2.540 1.428 ( -5.857 0.135 0.000) 5.859 1.539 ( -4.926 -1.523 0.000) 5.156 1.701 ( -7.618 0.073 0.000) 7.619 1.753 ( -1.682 0.733 0.000) 1.835 1.757 ( 1.668 0.384 0.000) 1.712 1.939 ( -2.745 3.319 0.000) 4.307 1.980 ( -2.450 0.023 0.000) 2.450 2.341 ( -2.517 0.856 0.000) 2.659 2.367 ( -7.509 1.822 0.000) 7.727 2.447 ( 5.410 0.134 0.000) 5.412 2.787 ( -6.913 0.401 0.000) 6.924 2.827 ( -14.865 -0.089 0.000) 14.865 3.116 ( 0.386 0.167 0.000) 0.421 3.428 ( 5.104 0.263 0.000) 5.111 3.721 ( 0.226 0.014 0.000) 0.227 3.769 ( -1.207 -0.004 0.000) 1.207 3.791 ( 5.262 0.152 0.000) 5.264 3.858 ( 6.657 0.366 0.000) 6.667 3.992 ( -3.317 -0.049 0.000) 3.317 4.064 ( 1.135 0.040 0.000) 1.136 4.108 ( -4.955 0.094 0.000) 4.956 4.545 ( -3.674 -0.732 0.000) 3.747 4.863 ( 0.207 -0.051 0.000) 0.213 4.870 ( -1.344 0.187 0.000) 1.357 4.878 ( -3.522 -0.439 0.000) 3.550 5.082 ( -0.696 -0.077 0.000) 0.700 5.102 ( 2.854 -0.159 0.000) 2.858 5.376 ( -3.138 -1.460 0.000) 3.461 5.518 ( 8.602 -0.242 0.000) 8.605 5.988 ( 2.808 0.597 0.000) 2.871 6.113 ( -1.793 -0.769 0.000) 1.951 ======================= Grid point 43 (31/129) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( -6.372 0.298 0.000) 6.379 0.863 ( 0.076 0.565 0.000) 0.570 0.960 ( -2.460 -1.557 0.000) 2.912 1.220 ( -14.086 -0.089 0.000) 14.086 1.238 ( -2.119 -4.998 0.000) 5.428 1.435 ( -3.527 -2.657 0.000) 4.416 1.503 ( 2.085 -4.605 0.000) 5.055 1.614 ( -2.129 0.382 0.000) 2.163 1.694 ( -3.270 2.400 0.000) 4.056 1.777 ( 0.159 0.362 0.000) 0.396 1.821 ( -7.548 3.910 0.000) 8.501 1.895 ( -6.100 -0.468 0.000) 6.118 2.180 ( -9.106 2.982 0.000) 9.582 2.268 ( -4.241 1.346 0.000) 4.449 2.503 ( -17.304 -0.219 0.000) 17.305 2.530 ( 3.184 -0.060 0.000) 3.184 2.612 ( -10.656 0.321 0.000) 10.661 3.119 ( 0.275 0.584 0.000) 0.646 3.515 ( 3.187 0.444 0.000) 3.218 3.727 ( 0.523 0.049 0.000) 0.525 3.761 ( -1.027 0.208 0.000) 1.048 3.790 ( -2.146 0.444 0.000) 2.191 3.897 ( -5.457 -0.232 0.000) 5.462 4.063 ( 0.282 0.203 0.000) 0.348 4.098 ( 13.709 1.511 0.000) 13.792 4.107 ( 3.468 0.139 0.000) 3.471 4.446 ( -7.076 -3.501 0.000) 7.895 4.796 ( -2.591 -0.138 0.000) 2.595 4.863 ( -0.157 -0.232 0.000) 0.280 4.872 ( -0.944 -0.150 0.000) 0.956 5.053 ( -2.548 -0.322 0.000) 2.568 5.160 ( 2.460 -0.822 0.000) 2.594 5.310 ( -4.808 -3.445 0.000) 5.915 5.696 ( 9.662 0.306 0.000) 9.667 6.038 ( 1.957 1.374 0.000) 2.391 6.089 ( -0.470 -1.638 0.000) 1.704 ======================= Grid point 44 (32/129) ======================= q-point: (-0.42 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( -4.439 7.730 0.000) 8.913 0.783 ( -10.150 4.106 0.000) 10.949 0.926 ( -3.807 -3.659 0.000) 5.281 0.979 ( -6.108 -3.385 0.000) 6.983 1.199 ( -4.841 -1.904 0.000) 5.203 1.337 ( -8.989 -3.918 0.000) 9.805 1.531 ( -3.771 0.840 0.000) 3.863 1.583 ( -0.972 0.956 0.000) 1.363 1.590 ( -6.242 2.973 0.000) 6.914 1.705 ( 1.952 -0.386 0.000) 1.990 1.733 ( -5.569 -0.137 0.000) 5.571 1.775 ( -6.078 -2.641 0.000) 6.627 2.044 ( -2.780 0.856 0.000) 2.909 2.167 ( -5.368 0.542 0.000) 5.395 2.213 ( -10.825 -0.186 0.000) 10.826 2.389 ( -11.405 0.205 0.000) 11.407 2.579 ( 1.872 -0.392 0.000) 1.913 3.127 ( 1.109 0.823 0.000) 1.381 3.532 ( -0.806 0.404 0.000) 0.902 3.646 ( -9.797 0.216 0.000) 9.799 3.710 ( -5.531 1.377 0.000) 5.700 3.746 ( 1.243 -0.149 0.000) 1.252 3.858 ( 0.729 -0.171 0.000) 0.749 4.098 ( 2.542 -0.046 0.000) 2.542 4.190 ( 4.728 0.450 0.000) 4.750 4.200 ( -9.140 -3.805 0.000) 9.901 4.428 ( 7.588 -3.922 0.000) 8.542 4.775 ( 0.229 0.227 0.000) 0.322 4.847 ( -1.194 0.445 0.000) 1.274 4.864 ( 0.128 -0.524 0.000) 0.540 4.986 ( -4.517 -0.602 0.000) 4.557 5.143 ( -7.481 -5.963 0.000) 9.567 5.277 ( 1.397 -0.949 0.000) 1.689 5.889 ( 10.407 1.065 0.000) 10.461 6.032 ( -1.190 -0.614 0.000) 1.339 6.128 ( 2.948 0.403 0.000) 2.976 ======================= Grid point 45 (33/129) ======================= q-point: (-0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.478 ( -15.714 4.354 0.000) 16.306 0.584 ( -2.832 13.933 0.000) 14.218 0.849 ( -3.730 -3.113 0.000) 4.859 0.959 ( -15.184 8.402 0.000) 17.353 1.006 ( 2.165 -5.584 0.000) 5.989 1.251 ( 0.272 1.837 0.000) 1.858 1.416 ( -5.797 4.566 0.000) 7.379 1.474 ( -5.057 -2.808 0.000) 5.784 1.553 ( -4.484 0.962 0.000) 4.586 1.580 ( -5.241 -0.024 0.000) 5.241 1.723 ( -1.086 -5.152 0.000) 5.265 1.804 ( 4.875 -3.323 0.000) 5.899 2.046 ( -2.486 -0.436 0.000) 2.524 2.094 ( 2.667 -2.172 0.000) 3.440 2.103 ( -1.849 -0.109 0.000) 1.853 2.202 ( -5.885 -0.274 0.000) 5.891 2.609 ( 0.959 -0.690 0.000) 1.181 3.154 ( 1.801 0.731 0.000) 1.944 3.452 ( -8.538 0.216 0.000) 8.541 3.503 ( -1.490 0.184 0.000) 1.501 3.582 ( -6.154 0.656 0.000) 6.189 3.768 ( 0.722 -0.443 0.000) 0.847 3.865 ( -28.904 -13.296 0.000) 31.816 3.879 ( 0.934 -0.068 0.000) 0.937 4.165 ( 2.826 1.049 0.000) 3.015 4.267 ( 3.155 0.754 0.000) 3.244 4.608 ( 7.301 -2.539 0.000) 7.730 4.793 ( 1.729 0.989 0.000) 1.992 4.826 ( -0.486 1.185 0.000) 1.281 4.873 ( 0.356 -0.801 0.000) 0.877 4.891 ( -5.170 -0.471 0.000) 5.191 4.989 ( -10.077 -5.977 0.000) 11.716 5.319 ( 1.793 -0.140 0.000) 1.798 6.018 ( -0.758 -1.520 0.000) 1.698 6.076 ( 8.735 1.182 0.000) 8.815 6.174 ( 2.011 1.475 0.000) 2.494 ======================= Grid point 46 (34/129) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.244 ( 0.000 6.482 0.000) 6.482 0.476 ( 0.000 13.126 0.000) 13.126 0.699 ( 0.000 19.615 0.000) 19.615 0.826 ( -0.000 -2.434 0.000) 2.434 1.072 ( -0.000 -7.236 0.000) 7.236 1.272 ( 0.000 1.791 0.000) 1.791 1.297 ( 0.000 6.328 0.000) 6.328 1.439 ( -0.000 -4.092 0.000) 4.092 1.458 ( -0.000 -0.014 0.000) 0.014 1.557 ( 0.000 1.626 0.000) 1.626 1.758 ( -0.000 -6.201 0.000) 6.201 1.880 ( -0.000 -1.955 0.000) 1.955 2.003 ( -0.000 -3.672 0.000) 3.672 2.092 ( -0.000 -0.136 0.000) 0.136 2.093 ( 0.000 0.239 0.000) 0.239 2.319 ( -0.000 -7.930 0.000) 7.930 2.623 ( -0.000 -0.798 0.000) 0.798 3.175 ( 0.000 0.442 0.000) 0.442 3.359 ( 0.000 0.275 0.000) 0.275 3.364 ( 0.000 0.297 0.000) 0.297 3.487 ( 0.000 0.049 0.000) 0.049 3.525 ( 0.000 0.089 0.000) 0.089 3.778 ( -0.000 -0.573 0.000) 0.573 3.888 ( -0.000 -0.068 0.000) 0.068 4.190 ( 0.000 1.110 0.000) 1.110 4.295 ( 0.000 0.876 0.000) 0.876 4.705 ( -0.000 -2.597 0.000) 2.597 4.816 ( 0.000 0.175 0.000) 0.175 4.818 ( 0.000 1.374 0.000) 1.374 4.842 ( 0.000 0.169 0.000) 0.169 4.866 ( -0.000 -2.104 0.000) 2.104 4.882 ( -0.000 -0.904 0.000) 0.904 5.338 ( -0.000 -0.058 0.000) 0.058 6.020 ( -0.000 -1.942 0.000) 1.942 6.174 ( -0.000 -0.090 0.000) 0.090 6.185 ( 0.000 1.978 0.000) 1.978 ======================= Grid point 53 (35/129) ======================= q-point: (-0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( 0.224 -0.000 0.000) 0.224 0.943 ( -6.122 0.000 0.000) 6.122 0.982 ( -0.108 0.000 0.000) 0.108 1.235 ( -2.676 0.000 0.000) 2.676 1.402 ( 1.796 -0.000 0.000) 1.796 1.429 ( -5.797 0.000 0.000) 5.797 1.531 ( -5.146 0.000 0.000) 5.146 1.701 ( -7.641 0.000 0.000) 7.641 1.757 ( -1.495 0.000 0.000) 1.495 1.759 ( 1.694 -0.000 0.000) 1.694 1.962 ( -2.543 0.000 0.000) 2.543 1.975 ( -2.999 0.000 0.000) 2.999 2.345 ( -2.415 0.000 0.000) 2.415 2.377 ( -7.183 0.000 0.000) 7.183 2.448 ( 5.373 -0.000 0.000) 5.373 2.789 ( -6.974 0.000 0.000) 6.974 2.827 ( -14.891 0.000 0.000) 14.891 3.117 ( 0.478 -0.000 0.000) 0.478 3.429 ( 5.136 -0.000 0.000) 5.136 3.721 ( 0.243 -0.000 0.000) 0.243 3.769 ( -1.178 0.000 0.000) 1.178 3.791 ( 4.895 -0.000 0.000) 4.895 3.861 ( 7.181 -0.000 0.000) 7.181 3.992 ( -3.338 0.000 0.000) 3.338 4.064 ( 1.138 -0.000 0.000) 1.138 4.109 ( -4.950 0.000 0.000) 4.950 4.541 ( -3.957 0.000 0.000) 3.957 4.862 ( 0.183 -0.000 0.000) 0.183 4.872 ( 0.576 -0.000 0.000) 0.576 4.875 ( -5.473 0.000 0.000) 5.473 5.082 ( -0.733 0.000 0.000) 0.733 5.101 ( 2.821 -0.000 0.000) 2.821 5.368 ( -3.534 0.000 0.000) 3.534 5.517 ( 8.781 -0.000 0.000) 8.781 5.992 ( 2.950 -0.000 0.000) 2.950 6.109 ( -1.950 0.000 0.000) 1.950 ======================= Grid point 55 (36/129) ======================= q-point: (-0.58 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( -3.483 0.625 0.000) 3.538 0.867 ( 0.869 0.211 0.000) 0.895 0.949 ( -3.297 -0.567 0.000) 3.345 1.195 ( -2.155 -2.435 0.000) 3.251 1.220 ( -14.517 -0.038 0.000) 14.517 1.423 ( -5.435 -0.116 0.000) 5.437 1.465 ( 3.057 -2.219 0.000) 3.778 1.617 ( -1.967 0.138 0.000) 1.971 1.711 ( -2.689 0.778 0.000) 2.799 1.779 ( 0.020 0.131 0.000) 0.132 1.858 ( -7.393 2.857 0.000) 7.925 1.884 ( -6.512 -1.571 0.000) 6.699 2.201 ( -9.661 1.032 0.000) 9.716 2.278 ( -4.430 0.456 0.000) 4.453 2.501 ( -17.340 -0.080 0.000) 17.340 2.529 ( 3.103 -0.022 0.000) 3.103 2.614 ( -10.720 0.117 0.000) 10.721 3.123 ( 0.353 0.212 0.000) 0.412 3.518 ( 3.174 0.161 0.000) 3.178 3.727 ( 0.504 0.019 0.000) 0.504 3.762 ( -0.937 0.076 0.000) 0.940 3.793 ( -1.791 0.161 0.000) 1.799 3.895 ( -5.533 -0.085 0.000) 5.534 4.064 ( 0.234 0.064 0.000) 0.243 4.108 ( 3.533 0.050 0.000) 3.534 4.111 ( 14.481 0.748 0.000) 14.500 4.418 ( -9.024 -1.504 0.000) 9.149 4.795 ( -2.558 -0.045 0.000) 2.558 4.861 ( -0.229 -0.085 0.000) 0.244 4.870 ( -0.816 -0.061 0.000) 0.818 5.051 ( -2.646 -0.129 0.000) 2.650 5.153 ( 1.702 -0.373 0.000) 1.742 5.286 ( -4.605 -1.095 0.000) 4.734 5.698 ( 9.848 0.086 0.000) 9.848 6.053 ( 2.305 1.414 0.000) 2.704 6.072 ( -0.803 -1.510 0.000) 1.710 ======================= Grid point 56 (37/129) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( 0.361 7.810 0.000) 7.818 0.824 ( -9.451 3.249 0.000) 9.994 0.896 ( -2.674 -1.604 0.000) 3.118 0.943 ( -8.606 -3.336 0.000) 9.230 1.155 ( -5.523 -5.652 0.000) 7.902 1.309 ( -5.531 -1.142 0.000) 5.648 1.525 ( 0.209 -1.389 0.000) 1.405 1.591 ( -0.857 0.485 0.000) 0.985 1.629 ( -7.596 3.775 0.000) 8.483 1.710 ( -1.161 1.013 0.000) 1.541 1.731 ( -5.828 -0.067 0.000) 5.828 1.749 ( -7.446 -2.207 0.000) 7.766 2.049 ( -4.184 0.247 0.000) 4.191 2.171 ( -6.206 0.144 0.000) 6.208 2.212 ( -10.748 -0.111 0.000) 10.749 2.390 ( -11.501 0.122 0.000) 11.501 2.576 ( 1.744 -0.228 0.000) 1.759 3.134 ( 1.081 0.460 0.000) 1.175 3.536 ( -0.900 0.232 0.000) 0.930 3.648 ( -9.874 0.122 0.000) 9.875 3.724 ( -5.257 0.997 0.000) 5.351 3.745 ( 1.125 -0.098 0.000) 1.130 3.856 ( 0.837 -0.084 0.000) 0.841 4.093 ( -0.521 -0.810 0.000) 0.963 4.173 ( -12.249 -1.393 0.000) 12.328 4.194 ( 4.851 0.255 0.000) 4.858 4.392 ( 10.519 -2.620 0.000) 10.840 4.776 ( 0.517 0.132 0.000) 0.534 4.851 ( -0.813 0.306 0.000) 0.869 4.859 ( 0.022 -0.308 0.000) 0.308 4.980 ( -4.586 -0.401 0.000) 4.603 5.096 ( -8.053 -2.922 0.000) 8.566 5.271 ( 2.264 -0.310 0.000) 2.285 5.897 ( 10.526 0.448 0.000) 10.535 6.027 ( -1.700 -0.334 0.000) 1.732 6.132 ( 3.535 0.217 0.000) 3.542 ======================= Grid point 57 (38/129) ======================= q-point: (-0.42 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.519 ( -15.593 3.268 0.000) 15.931 0.730 ( -3.052 13.416 0.000) 13.758 0.813 ( -3.843 -3.294 0.000) 5.061 0.959 ( 1.999 -3.276 0.000) 3.838 1.011 ( -7.940 1.026 0.000) 8.006 1.270 ( 1.134 1.728 0.000) 2.066 1.444 ( -5.868 0.527 0.000) 5.892 1.477 ( -5.721 3.532 0.000) 6.723 1.560 ( -7.404 0.394 0.000) 7.415 1.581 ( -2.258 0.078 0.000) 2.259 1.663 ( -2.424 -5.822 0.000) 6.306 1.778 ( 4.910 -1.759 0.000) 5.216 2.039 ( -4.469 -0.773 0.000) 4.535 2.068 ( 2.614 -2.553 0.000) 3.654 2.102 ( -1.867 -0.096 0.000) 1.869 2.198 ( -7.091 -0.370 0.000) 7.101 2.603 ( 0.873 -0.511 0.000) 1.012 3.160 ( 1.646 0.501 0.000) 1.721 3.454 ( -8.506 0.156 0.000) 8.508 3.505 ( -1.606 0.133 0.000) 1.612 3.591 ( -6.954 1.098 0.000) 7.040 3.754 ( -26.606 -7.971 0.000) 27.775 3.764 ( 0.614 -0.336 0.000) 0.700 3.878 ( 0.963 -0.023 0.000) 0.963 4.177 ( 3.075 1.104 0.000) 3.267 4.274 ( 3.226 0.532 0.000) 3.269 4.579 ( 6.872 -2.578 0.000) 7.340 4.802 ( 1.839 0.670 0.000) 1.958 4.838 ( -0.256 1.035 0.000) 1.066 4.865 ( 0.273 -0.603 0.000) 0.662 4.886 ( -4.880 -0.440 0.000) 4.900 4.944 ( -7.943 -2.938 0.000) 8.469 5.318 ( 1.884 -0.092 0.000) 1.886 6.005 ( -0.910 -0.954 0.000) 1.319 6.084 ( 8.196 0.496 0.000) 8.211 6.187 ( 2.249 0.938 0.000) 2.437 ======================= Grid point 58 (39/129) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.304 ( 0.000 4.796 0.000) 4.796 0.602 ( 0.000 10.398 0.000) 10.398 0.793 ( -0.000 -3.580 0.000) 3.580 0.888 ( 0.000 15.870 0.000) 15.870 1.008 ( -0.000 -4.746 0.000) 4.746 1.290 ( 0.000 1.670 0.000) 1.670 1.369 ( 0.000 7.231 0.000) 7.231 1.394 ( -0.000 -4.270 0.000) 4.270 1.458 ( -0.000 -0.013 0.000) 0.013 1.570 ( 0.000 0.872 0.000) 0.872 1.686 ( -0.000 -7.310 0.000) 7.310 1.860 ( -0.000 -1.772 0.000) 1.772 1.967 ( -0.000 -3.141 0.000) 3.141 2.091 ( -0.000 -0.139 0.000) 0.139 2.095 ( 0.000 0.180 0.000) 0.180 2.233 ( -0.000 -8.100 0.000) 8.100 2.615 ( -0.000 -0.703 0.000) 0.703 3.179 ( 0.000 0.355 0.000) 0.355 3.362 ( 0.000 0.241 0.000) 0.241 3.367 ( 0.000 0.259 0.000) 0.259 3.487 ( 0.000 0.040 0.000) 0.040 3.525 ( 0.000 0.075 0.000) 0.075 3.772 ( -0.000 -0.510 0.000) 0.510 3.888 ( -0.000 -0.020 0.000) 0.020 4.204 ( 0.000 1.424 0.000) 1.424 4.303 ( 0.000 0.725 0.000) 0.725 4.673 ( -0.000 -3.365 0.000) 3.365 4.818 ( 0.000 0.152 0.000) 0.152 4.830 ( 0.000 0.808 0.000) 0.808 4.844 ( 0.000 0.145 0.000) 0.145 4.850 ( -0.000 -0.810 0.000) 0.810 4.872 ( -0.000 -0.811 0.000) 0.811 5.337 ( -0.000 -0.042 0.000) 0.042 6.002 ( -0.000 -1.375 0.000) 1.375 6.173 ( -0.000 -0.076 0.000) 0.076 6.203 ( 0.000 1.434 0.000) 1.434 ======================= Grid point 67 (40/129) ======================= q-point: (-0.58 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( -9.415 0.000 0.000) 9.415 0.848 ( 3.325 -0.000 0.000) 3.325 0.894 ( 1.704 -0.000 0.000) 1.704 0.918 ( -13.273 0.000 0.000) 13.273 1.116 ( -7.208 0.000 0.000) 7.208 1.305 ( -4.516 0.000 0.000) 4.516 1.515 ( 1.427 -0.000 0.000) 1.427 1.593 ( -0.828 0.000 0.000) 0.828 1.653 ( -7.181 0.000 0.000) 7.181 1.717 ( -2.656 0.000 0.000) 2.656 1.731 ( -5.919 0.000 0.000) 5.919 1.734 ( -7.824 0.000 0.000) 7.824 2.050 ( -4.749 0.000 0.000) 4.749 2.171 ( -6.516 0.000 0.000) 6.516 2.211 ( -10.722 0.000 0.000) 10.722 2.391 ( -11.539 0.000 0.000) 11.539 2.574 ( 1.697 -0.000 0.000) 1.697 3.137 ( 1.069 -0.000 0.000) 1.069 3.537 ( -0.934 0.000 0.000) 0.934 3.648 ( -9.905 0.000 0.000) 9.905 3.729 ( -5.076 0.000 0.000) 5.076 3.744 ( 1.084 -0.000 0.000) 1.084 3.856 ( 0.877 -0.000 0.000) 0.877 4.087 ( -3.221 0.000 0.000) 3.221 4.167 ( -11.998 0.000 0.000) 11.998 4.195 ( 4.895 -0.000 0.000) 4.895 4.377 ( 11.777 -0.000 0.000) 11.777 4.777 ( 0.622 -0.000 0.000) 0.622 4.853 ( -0.661 0.000 0.000) 0.661 4.857 ( -0.018 0.000 0.000) 0.018 4.978 ( -4.615 0.000 0.000) 4.615 5.081 ( -8.056 0.000 0.000) 8.056 5.270 ( 2.441 -0.000 0.000) 2.441 5.899 ( 10.558 -0.000 0.000) 10.558 6.025 ( -1.868 0.000 0.000) 1.868 6.133 ( 3.732 -0.000 0.000) 3.732 ======================= Grid point 69 (41/129) ======================= q-point: (-0.50 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.544 ( -15.724 1.211 0.000) 15.770 0.787 ( -4.070 -1.395 0.000) 4.303 0.856 ( -8.444 9.488 0.000) 12.702 0.936 ( 2.172 -1.071 0.000) 2.421 0.984 ( 2.107 -4.936 0.000) 5.367 1.284 ( 1.459 0.786 0.000) 1.657 1.453 ( -8.964 0.861 0.000) 9.006 1.514 ( -2.044 2.626 0.000) 3.328 1.563 ( -9.076 0.087 0.000) 9.076 1.582 ( -0.580 0.052 0.000) 0.582 1.610 ( -4.664 -3.546 0.000) 5.858 1.766 ( 4.606 -0.569 0.000) 4.641 2.033 ( -6.146 -0.166 0.000) 6.148 2.045 ( 2.619 -1.432 0.000) 2.985 2.101 ( -1.877 -0.039 0.000) 1.878 2.195 ( -7.711 -0.132 0.000) 7.712 2.599 ( 0.823 -0.188 0.000) 0.844 3.164 ( 1.553 0.176 0.000) 1.563 3.455 ( -8.487 0.057 0.000) 8.487 3.506 ( -1.673 0.048 0.000) 1.673 3.603 ( -6.937 0.920 0.000) 6.998 3.695 ( -25.247 -3.079 0.000) 25.434 3.761 ( 0.554 -0.126 0.000) 0.568 3.878 ( 0.979 -0.003 0.000) 0.979 4.186 ( 3.253 0.501 0.000) 3.292 4.278 ( 3.264 0.191 0.000) 3.269 4.559 ( 6.592 -1.104 0.000) 6.684 4.806 ( 1.889 0.241 0.000) 1.905 4.847 ( -0.019 0.458 0.000) 0.458 4.861 ( 0.223 -0.224 0.000) 0.316 4.882 ( -4.793 -0.210 0.000) 4.798 4.924 ( -7.082 -0.912 0.000) 7.141 5.317 ( 1.930 -0.032 0.000) 1.930 5.998 ( -0.986 -0.325 0.000) 1.038 6.087 ( 7.962 0.138 0.000) 7.964 6.194 ( 2.377 0.322 0.000) 2.399 ======================= Grid point 70 (42/129) ======================= q-point: (-0.42 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.343 ( 0.000 2.528 0.000) 2.528 0.690 ( 0.000 6.046 0.000) 6.046 0.757 ( -0.000 -2.802 0.000) 2.802 0.972 ( -0.000 -2.085 0.000) 2.085 1.025 ( 0.000 9.495 0.000) 9.495 1.305 ( 0.000 1.098 0.000) 1.098 1.354 ( -0.000 -3.028 0.000) 3.028 1.446 ( 0.000 7.347 0.000) 7.347 1.457 ( -0.000 -0.007 0.000) 0.007 1.576 ( 0.000 0.353 0.000) 0.353 1.607 ( -0.000 -7.540 0.000) 7.540 1.844 ( -0.000 -1.066 0.000) 1.066 1.940 ( -0.000 -1.810 0.000) 1.810 2.089 ( -0.000 -0.090 0.000) 0.090 2.097 ( 0.000 0.094 0.000) 0.094 2.158 ( -0.000 -5.533 0.000) 5.533 2.609 ( -0.000 -0.411 0.000) 0.411 3.182 ( 0.000 0.195 0.000) 0.195 3.364 ( 0.000 0.140 0.000) 0.140 3.369 ( 0.000 0.151 0.000) 0.151 3.487 ( 0.000 0.022 0.000) 0.022 3.526 ( 0.000 0.042 0.000) 0.042 3.767 ( -0.000 -0.299 0.000) 0.299 3.888 ( 0.000 0.003 0.000) 0.003 4.218 ( 0.000 1.107 0.000) 1.107 4.310 ( 0.000 0.405 0.000) 0.405 4.640 ( -0.000 -2.463 0.000) 2.463 4.819 ( 0.000 0.088 0.000) 0.088 4.833 ( -0.000 -0.062 0.000) 0.062 4.845 ( 0.000 0.084 0.000) 0.084 4.849 ( 0.000 0.288 0.000) 0.288 4.865 ( -0.000 -0.480 0.000) 0.480 5.337 ( -0.000 -0.021 0.000) 0.021 5.991 ( -0.000 -0.708 0.000) 0.708 6.172 ( -0.000 -0.043 0.000) 0.043 6.215 ( 0.000 0.754 0.000) 0.754 ======================= Grid point 82 (43/129) ======================= q-point: ( 0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.357 ( 0.000 0.000 0.000) 0.000 0.723 ( 0.000 0.000 0.000) 0.000 0.741 ( 0.000 0.000 0.000) 0.000 0.961 ( 0.000 0.000 0.000) 0.000 1.077 ( 0.000 0.000 0.000) 0.000 1.312 ( 0.000 0.000 0.000) 0.000 1.336 ( -0.000 -0.000 0.000) 0.000 1.457 ( 0.000 0.000 0.000) 0.000 1.513 ( 0.000 0.000 0.000) 0.000 1.539 ( -0.000 -0.000 0.000) 0.000 1.578 ( 0.000 0.000 0.000) 0.000 1.839 ( 0.000 0.000 0.000) 0.000 1.930 ( 0.000 0.000 0.000) 0.000 2.089 ( 0.000 0.000 0.000) 0.000 2.097 ( 0.000 0.000 0.000) 0.000 2.127 ( 0.000 0.000 0.000) 0.000 2.606 ( 0.000 0.000 0.000) 0.000 3.183 ( 0.000 0.000 0.000) 0.000 3.365 ( 0.000 0.000 0.000) 0.000 3.370 ( 0.000 0.000 0.000) 0.000 3.488 ( 0.000 0.000 0.000) 0.000 3.526 ( 0.000 0.000 0.000) 0.000 3.766 ( 0.000 0.000 0.000) 0.000 3.888 ( 0.000 0.000 0.000) 0.000 4.224 ( 0.000 0.000 0.000) 0.000 4.312 ( 0.000 0.000 0.000) 0.000 4.626 ( 0.000 0.000 0.000) 0.000 4.820 ( 0.000 0.000 0.000) 0.000 4.833 ( 0.000 0.000 0.000) 0.000 4.845 ( 0.000 0.000 0.000) 0.000 4.851 ( 0.000 0.000 0.000) 0.000 4.863 ( 0.000 0.000 0.000) 0.000 5.337 ( 0.000 0.000 0.000) 0.000 5.987 ( 0.000 0.000 0.000) 0.000 6.172 ( 0.000 0.000 0.000) 0.000 6.219 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 151 (44/129) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.215 ( 0.000 0.000 10.595) 10.595 0.434 ( 0.000 0.000 18.584) 18.584 0.637 ( 0.000 0.000 9.452) 9.452 0.849 ( 0.000 0.000 8.270) 8.270 1.111 ( 0.000 0.000 -10.031) 10.031 1.217 ( 0.000 0.000 -3.533) 3.533 1.256 ( 0.000 0.000 8.928) 8.928 1.485 ( 0.000 0.000 1.457) 1.457 1.512 ( 0.000 0.000 -0.008) 0.008 1.631 ( 0.000 0.000 4.023) 4.023 1.777 ( 0.000 0.000 -3.007) 3.007 1.947 ( 0.000 0.000 2.322) 2.322 2.020 ( 0.000 0.000 -7.597) 7.597 2.065 ( 0.000 0.000 -1.909) 1.909 2.078 ( 0.000 0.000 0.009) 0.009 2.101 ( 0.000 0.000 -0.856) 0.856 2.721 ( 0.000 0.000 0.660) 0.660 3.006 ( 0.000 0.000 -11.343) 11.343 3.357 ( 0.000 0.000 0.245) 0.245 3.360 ( 0.000 0.000 0.141) 0.141 3.489 ( 0.000 0.000 0.309) 0.309 3.515 ( 0.000 0.000 -0.607) 0.607 3.913 ( 0.000 0.000 1.755) 1.755 4.068 ( 0.000 0.000 -5.270) 5.270 4.357 ( 0.000 0.000 6.120) 6.120 4.621 ( 0.000 0.000 -5.591) 5.591 4.779 ( 0.000 0.000 1.415) 1.415 4.801 ( 0.000 0.000 0.953) 0.953 4.815 ( 0.000 0.000 0.249) 0.249 4.834 ( 0.000 0.000 -0.392) 0.392 4.983 ( 0.000 0.000 5.218) 5.218 5.205 ( 0.000 0.000 -4.205) 4.205 5.402 ( 0.000 0.000 4.706) 4.706 5.750 ( 0.000 0.000 -8.924) 8.924 6.167 ( 0.000 0.000 4.691) 4.691 6.307 ( 0.000 0.000 -1.546) 1.546 ======================= Grid point 152 (45/129) ======================= q-point: ( 0.08 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.403 ( 13.648 -1.653 6.521) 15.216 0.535 ( 9.436 -2.620 12.027) 15.510 0.770 ( 9.196 -1.364 -1.766) 9.463 1.007 ( 15.587 -1.361 13.713) 20.805 1.090 ( -2.021 0.223 -7.989) 8.243 1.258 ( 3.702 1.950 2.089) 4.677 1.282 ( 3.225 -2.383 4.477) 6.011 1.560 ( 4.292 0.890 0.983) 4.492 1.565 ( 6.552 0.491 -1.004) 6.646 1.600 ( -0.204 0.130 4.701) 4.707 1.770 ( -0.132 0.275 -2.181) 2.202 1.959 ( 0.175 1.462 1.591) 2.168 2.009 ( -3.051 0.072 -0.733) 3.138 2.041 ( 2.944 -0.083 -6.668) 7.289 2.101 ( 0.776 -0.102 0.021) 0.783 2.166 ( 7.144 0.119 -1.892) 7.391 2.679 ( -2.315 -0.120 2.910) 3.720 2.990 ( -1.450 -0.532 -10.848) 10.957 3.448 ( 8.342 -0.099 0.145) 8.344 3.501 ( 2.220 -0.087 -0.215) 2.232 3.547 ( 8.596 0.486 -5.858) 10.414 3.556 ( 5.035 -0.623 -2.815) 5.802 3.906 ( -0.668 0.027 1.873) 1.989 4.046 ( -2.569 0.034 -4.449) 5.137 4.322 ( -2.967 0.559 4.686) 5.574 4.522 ( -8.393 1.376 -3.206) 9.089 4.693 ( -6.268 0.647 6.568) 9.102 4.775 ( -0.326 -0.254 0.929) 1.016 4.809 ( 0.827 0.064 0.561) 1.001 4.832 ( 0.999 -0.476 -1.577) 1.926 5.020 ( 3.495 0.783 6.151) 7.118 5.345 ( 8.420 6.213 -9.040) 13.828 5.377 ( -2.297 0.519 4.445) 5.030 5.731 ( -2.616 -1.986 -9.068) 9.645 6.161 ( -0.595 -0.297 3.979) 4.034 6.231 ( -5.171 0.545 2.905) 5.956 ======================= Grid point 153 (46/129) ======================= q-point: ( 0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.687 ( 15.098 1.669 4.623) 15.878 0.744 ( 8.733 -1.762 4.141) 9.825 0.971 ( 10.641 -0.545 -2.603) 10.968 1.046 ( -1.461 0.557 -4.090) 4.378 1.303 ( 6.955 0.603 -1.290) 7.100 1.380 ( 13.853 -2.270 16.164) 21.409 1.407 ( 6.587 -3.725 -1.835) 7.786 1.612 ( 2.929 0.146 3.507) 4.572 1.651 ( 1.977 1.945 -3.591) 4.537 1.684 ( 7.564 3.618 3.961) 9.274 1.792 ( 2.370 0.566 -0.685) 2.531 1.903 ( -3.289 3.312 0.139) 4.670 1.966 ( -1.647 -2.747 -0.849) 3.313 2.135 ( 3.447 -1.392 -0.450) 3.745 2.202 ( 12.303 0.139 -0.748) 12.326 2.337 ( 9.426 -0.093 -3.317) 9.993 2.645 ( -1.147 -0.099 3.714) 3.888 2.972 ( -0.482 -0.830 -9.999) 10.045 3.536 ( 1.263 -0.305 1.447) 1.945 3.633 ( 9.310 -0.345 -0.518) 9.331 3.637 ( 4.406 -0.266 -2.593) 5.119 3.689 ( 4.204 -0.389 -3.967) 5.794 3.886 ( -1.261 0.175 1.347) 1.854 3.969 ( -4.679 -0.112 -4.021) 6.171 4.258 ( -2.911 0.735 2.359) 3.818 4.322 ( -11.015 0.160 -0.829) 11.048 4.627 ( -0.882 1.113 6.774) 6.922 4.776 ( 0.498 -0.064 0.377) 0.627 4.833 ( 1.629 0.501 -0.501) 1.776 4.854 ( 0.921 -0.725 -1.305) 1.754 5.085 ( 3.089 0.674 5.999) 6.781 5.312 ( -3.915 0.496 4.335) 5.862 5.420 ( 3.265 6.035 -7.105) 9.877 5.667 ( -5.003 -2.232 -8.283) 9.931 6.139 ( -3.864 0.500 3.873) 5.494 6.151 ( -0.491 0.192 2.550) 2.604 ======================= Grid point 154 (47/129) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( 2.905 -0.329 1.664) 3.364 0.959 ( 12.851 3.630 2.419) 13.571 1.001 ( -0.129 1.616 -1.134) 1.979 1.205 ( 11.056 0.747 -2.771) 11.423 1.443 ( 8.907 0.958 2.201) 9.225 1.545 ( 4.569 -3.471 -2.699) 6.341 1.573 ( 3.937 -1.431 6.393) 7.644 1.639 ( -0.152 4.255 -1.082) 4.393 1.653 ( 1.173 3.745 0.093) 3.925 1.778 ( 1.650 1.041 3.545) 4.046 1.810 ( -1.217 0.250 1.446) 1.906 1.864 ( 1.428 -0.340 -1.288) 1.953 2.070 ( 11.013 -5.539 5.295) 13.416 2.206 ( 3.018 -2.212 0.890) 3.846 2.463 ( 1.471 -0.060 -3.493) 3.790 2.506 ( 17.234 0.248 -1.095) 17.270 2.673 ( 5.414 -0.156 4.175) 6.838 2.981 ( 0.888 -0.704 -9.108) 9.178 3.530 ( -2.655 -0.475 2.882) 3.947 3.705 ( 1.660 -0.352 -3.717) 4.086 3.731 ( 0.422 -0.162 0.683) 0.819 3.770 ( 3.772 -0.455 -0.019) 3.800 3.858 ( -1.828 0.237 -2.791) 3.345 3.907 ( -0.772 -0.182 -5.744) 5.799 4.125 ( -7.084 -0.144 4.069) 8.171 4.217 ( -1.237 0.174 2.494) 2.790 4.628 ( 1.362 1.236 6.261) 6.525 4.802 ( 2.352 0.168 -0.199) 2.366 4.856 ( 0.831 0.484 -0.988) 1.379 4.873 ( 0.527 -0.294 -0.833) 1.029 5.125 ( 1.362 0.532 4.916) 5.129 5.228 ( -4.264 0.367 4.181) 5.983 5.427 ( 0.528 4.417 -5.654) 7.194 5.566 ( -6.156 -1.683 -6.883) 9.386 6.070 ( -2.921 0.424 3.948) 4.930 6.144 ( 0.051 0.861 0.688) 1.103 ======================= Grid point 155 (48/129) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( 0.184 0.262 1.099) 1.144 0.964 ( -1.684 -0.053 -1.576) 2.307 1.182 ( 10.269 5.742 3.795) 12.362 1.377 ( 6.982 4.553 -2.360) 8.663 1.503 ( -2.626 5.423 -1.373) 6.180 1.553 ( -2.357 4.045 -1.027) 4.793 1.645 ( 6.478 1.533 5.441) 8.598 1.692 ( 5.937 -1.053 1.263) 6.160 1.694 ( 3.700 -1.233 0.258) 3.908 1.778 ( 0.137 -1.782 2.214) 2.845 1.816 ( 0.086 -3.723 1.291) 3.941 1.885 ( -1.033 -4.619 -0.322) 4.744 2.274 ( 2.803 -1.819 -1.026) 3.495 2.307 ( 6.439 -2.860 1.364) 7.177 2.436 ( -0.791 -0.284 3.325) 3.430 2.810 ( 7.039 -0.389 2.925) 7.632 2.821 ( 13.743 0.116 -1.779) 13.858 3.004 ( 0.968 -0.257 -8.007) 8.070 3.446 ( -5.230 -0.293 2.861) 5.968 3.658 ( -6.704 -0.413 -5.754) 8.844 3.731 ( -0.172 0.047 0.916) 0.933 3.809 ( 1.073 0.285 -0.798) 1.367 3.826 ( 0.525 -0.001 -0.019) 0.525 3.938 ( 3.296 0.023 -4.734) 5.769 4.080 ( 0.536 -0.048 5.767) 5.792 4.219 ( 1.693 0.027 2.818) 3.288 4.654 ( 1.176 0.838 6.303) 6.466 4.850 ( 0.558 0.108 -0.661) 0.872 4.864 ( 0.148 0.253 -0.902) 0.949 4.883 ( 3.052 0.129 -1.215) 3.287 5.134 ( -0.116 0.342 3.838) 3.855 5.149 ( -3.630 0.177 3.728) 5.206 5.397 ( -2.174 2.105 -4.685) 5.577 5.456 ( -5.102 -0.191 -6.026) 7.898 6.021 ( -1.990 0.291 3.996) 4.473 6.142 ( 0.129 1.023 -0.789) 1.298 ======================= Grid point 156 (49/129) ======================= q-point: ( 0.42 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( 0.045 0.171 0.790) 0.809 0.931 ( -1.749 -0.550 -0.947) 2.064 1.256 ( -0.247 5.422 4.747) 7.210 1.402 ( 2.265 4.569 0.329) 5.110 1.471 ( -1.162 4.122 -1.460) 4.525 1.514 ( 1.429 1.603 0.063) 2.148 1.709 ( 1.270 -0.470 1.041) 1.708 1.731 ( 2.215 1.263 1.605) 3.013 1.786 ( 0.021 -0.953 3.113) 3.256 1.846 ( 0.884 -4.051 0.032) 4.147 1.862 ( 1.603 -4.076 -0.041) 4.381 1.914 ( 7.094 -1.398 1.103) 7.314 2.258 ( -7.291 -0.628 -2.881) 7.865 2.327 ( 1.607 -0.933 -2.593) 3.190 2.518 ( 4.104 -0.907 6.665) 7.879 2.912 ( 3.190 -0.333 3.520) 4.762 2.997 ( 2.198 0.192 -8.159) 8.452 3.043 ( 4.851 -0.157 -1.624) 5.118 3.362 ( -3.105 -0.057 2.024) 3.707 3.532 ( -5.006 -0.341 -4.849) 6.978 3.726 ( -0.234 0.112 0.856) 0.895 3.815 ( 0.179 0.459 -2.620) 2.666 3.887 ( 4.887 0.234 3.069) 5.775 4.006 ( 2.938 0.146 -2.720) 4.006 4.080 ( -1.224 -0.087 5.517) 5.652 4.286 ( 4.908 -0.047 0.267) 4.916 4.630 ( -3.523 0.214 6.744) 7.612 4.838 ( -0.897 0.068 -1.424) 1.685 4.885 ( 2.798 0.077 0.777) 2.905 4.980 ( 5.423 0.067 -1.291) 5.575 5.076 ( -3.814 0.125 2.448) 4.534 5.131 ( 0.317 0.255 2.623) 2.654 5.302 ( -6.333 -0.201 -3.152) 7.077 5.397 ( -1.202 1.212 -6.053) 6.289 5.990 ( -1.023 0.137 4.040) 4.169 6.138 ( 0.000 0.660 -1.708) 1.831 ======================= Grid point 157 (50/129) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( 0.000 -0.000 0.616) 0.616 0.911 ( 0.000 -0.000 -0.590) 0.590 1.220 ( 0.000 -0.000 5.006) 5.006 1.424 ( 0.000 -0.000 -2.620) 2.620 1.442 ( 0.000 -0.000 1.923) 1.923 1.525 ( 0.000 -0.000 1.487) 1.487 1.715 ( 0.000 -0.000 1.329) 1.329 1.760 ( 0.000 0.000 -0.333) 0.333 1.784 ( 0.000 -0.000 3.995) 3.995 1.865 ( 0.000 -0.000 0.123) 0.123 1.876 ( 0.000 -0.000 -0.308) 0.308 2.093 ( 0.000 -0.000 5.485) 5.485 2.099 ( -0.000 -0.000 -7.370) 7.370 2.345 ( 0.000 -0.000 -2.958) 2.958 2.558 ( 0.000 -0.000 5.436) 5.436 2.940 ( 0.000 -0.000 2.200) 2.200 3.009 ( 0.000 -0.000 -6.888) 6.888 3.099 ( 0.000 -0.000 -1.272) 1.272 3.332 ( 0.000 -0.000 1.679) 1.679 3.484 ( 0.000 -0.000 -4.366) 4.366 3.723 ( 0.000 -0.000 0.882) 0.882 3.815 ( 0.000 -0.000 -2.691) 2.691 3.962 ( -0.000 -0.000 1.515) 1.515 4.035 ( 0.000 -0.000 -1.150) 1.150 4.047 ( 0.000 -0.000 7.181) 7.181 4.360 ( 0.000 -0.000 -4.241) 4.241 4.569 ( 0.000 -0.000 9.381) 9.381 4.828 ( 0.000 -0.000 -1.816) 1.816 4.937 ( 0.000 -0.000 2.782) 2.782 5.017 ( 0.000 -0.000 0.992) 0.992 5.045 ( 0.000 -0.000 0.570) 0.570 5.166 ( 0.000 -0.000 -3.154) 3.154 5.195 ( 0.000 -0.000 0.626) 0.626 5.382 ( 0.000 -0.000 -5.993) 5.993 5.980 ( 0.000 -0.000 4.046) 4.046 6.136 ( 0.000 -0.000 -2.013) 2.013 ======================= Grid point 165 (51/129) ======================= q-point: ( 0.08 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.701 ( 15.869 -0.000 4.089) 16.388 0.732 ( 9.380 -0.000 4.674) 10.480 0.967 ( 11.644 -0.000 -2.264) 11.862 1.050 ( -2.153 0.000 -4.839) 5.296 1.308 ( 8.511 -0.000 -2.786) 8.956 1.370 ( 12.152 -0.000 17.947) 21.675 1.384 ( 6.621 -0.000 -2.247) 6.991 1.612 ( 3.114 -0.000 3.990) 5.061 1.661 ( 2.216 -0.000 -3.549) 4.184 1.705 ( 8.767 -0.000 4.261) 9.747 1.795 ( 2.248 -0.000 -0.542) 2.313 1.935 ( -3.101 0.000 -0.803) 3.203 1.938 ( -3.599 0.000 -0.436) 3.625 2.126 ( 3.079 -0.000 -0.286) 3.092 2.203 ( 12.437 -0.000 -0.836) 12.465 2.336 ( 9.402 -0.000 -3.321) 9.971 2.644 ( -1.107 0.000 3.577) 3.744 2.967 ( -0.409 0.000 -10.108) 10.116 3.535 ( 1.229 -0.000 1.423) 1.880 3.631 ( 9.088 -0.000 -0.820) 9.125 3.636 ( 4.542 -0.000 -2.350) 5.114 3.687 ( 4.260 -0.000 -4.098) 5.911 3.887 ( -1.226 0.000 1.357) 1.829 3.968 ( -4.706 0.000 -3.970) 6.157 4.262 ( -2.965 0.000 2.516) 3.889 4.324 ( -11.462 0.000 -1.172) 11.522 4.633 ( -0.906 0.000 6.501) 6.564 4.775 ( 0.575 -0.000 0.413) 0.708 4.837 ( 1.832 -0.000 -0.072) 1.834 4.848 ( 0.862 -0.000 -1.853) 2.043 5.088 ( 2.976 -0.000 6.199) 6.877 5.314 ( -3.976 0.000 4.512) 6.014 5.456 ( 2.232 -0.000 -9.352) 9.615 5.653 ( -4.792 0.000 -7.253) 8.693 6.142 ( -3.997 0.000 4.137) 5.752 6.152 ( -0.235 0.000 2.553) 2.564 ======================= Grid point 166 (52/129) ======================= q-point: ( 0.17 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( 3.366 -0.159 1.800) 3.820 0.987 ( 8.814 1.318 0.112) 8.913 1.016 ( 3.777 1.086 0.630) 3.981 1.209 ( 12.398 0.043 -1.881) 12.540 1.454 ( 8.973 1.032 0.031) 9.033 1.511 ( 5.427 -2.309 -2.325) 6.340 1.558 ( 5.368 -0.834 7.455) 9.224 1.675 ( 1.011 1.961 -0.650) 2.300 1.679 ( 2.095 1.030 -0.033) 2.335 1.795 ( -2.703 1.340 2.275) 3.779 1.813 ( -1.586 0.238 1.172) 1.987 1.864 ( -2.073 0.296 -0.946) 2.297 2.021 ( 13.423 -3.030 6.544) 15.237 2.188 ( 3.198 -0.925 0.923) 3.454 2.463 ( 1.530 -0.027 -3.483) 3.804 2.508 ( 17.206 0.093 -1.118) 17.243 2.672 ( 5.322 -0.055 4.181) 6.768 2.976 ( 1.091 -0.260 -9.150) 9.218 3.527 ( -2.610 -0.177 2.878) 3.889 3.703 ( 1.725 -0.131 -3.778) 4.155 3.730 ( 0.551 -0.059 0.628) 0.838 3.766 ( 3.922 -0.162 -0.019) 3.926 3.859 ( -1.952 0.088 -2.811) 3.424 3.906 ( -0.725 -0.068 -5.743) 5.789 4.124 ( -7.117 -0.039 4.234) 8.281 4.218 ( -1.292 0.053 2.647) 2.946 4.637 ( 1.165 0.424 5.874) 6.003 4.803 ( 2.398 0.061 -0.192) 2.406 4.861 ( 0.656 0.440 -1.049) 1.313 4.869 ( 0.804 -0.359 -0.854) 1.227 5.129 ( 1.231 0.188 5.173) 5.321 5.230 ( -4.368 0.100 4.246) 6.092 5.465 ( -0.311 2.281 -7.437) 7.785 5.549 ( -5.957 -1.238 -6.040) 8.573 6.074 ( -2.987 0.189 4.312) 5.249 6.151 ( 0.130 0.306 0.736) 0.808 ======================= Grid point 167 (53/129) ======================= q-point: ( 0.25 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( 0.224 0.139 0.969) 1.004 0.963 ( -2.074 -0.038 -1.631) 2.639 1.235 ( 10.480 3.969 3.439) 11.723 1.415 ( 8.455 2.507 -1.675) 8.977 1.553 ( -1.283 3.690 -1.726) 4.271 1.585 ( -0.815 1.681 -0.321) 1.896 1.667 ( 7.512 2.208 3.914) 8.754 1.685 ( 2.043 -0.008 2.272) 3.056 1.687 ( 2.605 0.662 -0.358) 2.712 1.753 ( 0.423 -2.671 1.145) 2.937 1.782 ( -0.921 -3.186 0.806) 3.413 1.839 ( -2.302 -3.593 1.861) 4.655 2.259 ( 3.293 -1.079 -1.143) 3.649 2.281 ( 8.053 -1.839 2.164) 8.539 2.434 ( -1.363 -0.106 3.021) 3.316 2.807 ( 6.755 -0.227 3.188) 7.473 2.822 ( 13.925 0.075 -1.926) 14.058 3.002 ( 1.176 -0.143 -7.990) 8.077 3.444 ( -5.084 -0.172 2.961) 5.886 3.654 ( -6.722 -0.250 -5.607) 8.757 3.731 ( -0.112 0.028 0.957) 0.964 3.811 ( 1.504 0.137 -0.408) 1.564 3.826 ( 0.420 0.024 -0.276) 0.503 3.939 ( 3.396 0.014 -4.670) 5.774 4.079 ( 0.558 -0.017 5.815) 5.842 4.220 ( 1.632 0.009 2.947) 3.369 4.661 ( 0.877 0.474 6.121) 6.201 4.851 ( 0.531 0.062 -0.672) 0.858 4.867 ( -0.277 0.181 -0.935) 0.992 4.884 ( 3.398 0.047 -1.205) 3.605 5.137 ( -0.177 0.188 4.127) 4.136 5.150 ( -3.737 0.078 3.718) 5.272 5.416 ( -4.437 1.508 -4.771) 6.688 5.453 ( -3.317 -0.398 -6.639) 7.432 6.023 ( -2.069 0.216 4.427) 4.891 6.150 ( 0.002 0.572 -0.747) 0.940 ======================= Grid point 168 (54/129) ======================= q-point: ( 0.33 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( 0.058 0.202 0.526) 0.566 0.925 ( -1.820 -0.442 -0.877) 2.068 1.312 ( -1.373 4.695 4.376) 6.563 1.452 ( -0.313 4.720 0.333) 4.742 1.515 ( -3.040 3.914 -1.409) 5.152 1.528 ( 0.844 1.141 1.071) 1.777 1.692 ( 0.489 -2.367 0.699) 2.516 1.738 ( 1.737 -1.021 -0.027) 2.015 1.775 ( 0.670 -0.611 3.532) 3.647 1.813 ( 3.002 -2.146 -0.052) 3.691 1.818 ( 1.133 -3.341 0.986) 3.663 1.906 ( 10.084 -0.416 1.397) 10.189 2.252 ( -7.100 -0.531 -3.107) 7.768 2.318 ( 2.086 -0.733 -2.755) 3.532 2.508 ( 4.467 -0.769 7.097) 8.421 2.910 ( 3.563 -0.098 3.869) 5.261 2.998 ( 1.896 0.045 -8.450) 8.660 3.042 ( 4.970 -0.118 -1.544) 5.205 3.361 ( -3.036 -0.043 2.149) 3.720 3.529 ( -4.902 -0.277 -4.540) 6.687 3.727 ( -0.257 0.078 0.901) 0.941 3.820 ( 0.066 0.339 -2.687) 2.709 3.889 ( 4.946 0.176 3.167) 5.876 4.008 ( 2.925 0.111 -2.594) 3.911 4.079 ( -1.263 -0.053 5.517) 5.660 4.285 ( 4.917 -0.038 0.318) 4.927 4.632 ( -3.774 0.153 6.763) 7.747 4.839 ( -0.932 0.053 -1.393) 1.676 4.885 ( 2.763 0.053 0.730) 2.859 4.980 ( 5.312 0.061 -1.322) 5.474 5.077 ( -3.860 0.077 2.512) 4.606 5.133 ( 0.344 0.168 2.799) 2.825 5.300 ( -6.466 -0.085 -3.150) 7.193 5.408 ( -1.613 0.836 -6.487) 6.737 5.991 ( -1.104 0.124 4.334) 4.474 6.144 ( -0.288 0.473 -1.678) 1.767 ======================= Grid point 169 (55/129) ======================= q-point: ( 0.42 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( -0.136 0.262 0.551) 0.625 0.910 ( 0.494 -0.290 -0.536) 0.784 1.228 ( -2.907 1.534 5.094) 6.062 1.429 ( -0.844 0.212 -1.117) 1.416 1.435 ( -4.182 -0.445 0.448) 4.229 1.521 ( -1.220 -0.712 1.124) 1.805 1.713 ( 0.668 -0.405 1.135) 1.378 1.740 ( -1.948 -2.901 0.209) 3.501 1.782 ( 0.425 -0.415 3.994) 4.038 1.879 ( 3.261 2.050 -0.087) 3.853 1.886 ( 3.469 1.664 -0.157) 3.851 2.090 ( -7.250 -0.391 2.860) 7.804 2.101 ( 7.476 0.253 -4.793) 8.884 2.345 ( 0.453 -0.059 -2.993) 3.028 2.557 ( 0.343 -0.315 5.494) 5.513 2.943 ( 0.235 0.575 2.451) 2.528 3.006 ( -0.146 -0.501 -7.153) 7.172 3.099 ( 0.082 0.027 -1.271) 1.274 3.332 ( 0.005 -0.003 1.680) 1.680 3.484 ( 0.203 -0.038 -4.358) 4.363 3.723 ( -0.084 -0.009 0.880) 0.884 3.816 ( -0.296 0.026 -2.704) 2.721 3.962 ( -0.368 0.004 1.520) 1.564 4.035 ( -0.101 0.014 -1.193) 1.198 4.047 ( 0.237 0.005 7.221) 7.225 4.360 ( 0.010 -0.011 -4.240) 4.240 4.569 ( -0.011 -0.006 9.382) 9.382 4.828 ( -0.031 0.004 -1.816) 1.816 4.937 ( -0.011 0.006 2.781) 2.781 5.017 ( -0.118 0.006 0.990) 0.997 5.045 ( 0.100 -0.023 0.569) 0.578 5.166 ( -1.172 -0.022 -3.133) 3.345 5.195 ( 1.062 0.028 0.606) 1.223 5.382 ( -0.697 0.013 -5.993) 6.034 5.980 ( -0.067 0.002 4.047) 4.047 6.136 ( -0.368 0.000 -2.012) 2.046 ======================= Grid point 170 (56/129) ======================= q-point: (-0.50 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( -0.135 -0.078 1.078) 1.089 0.936 ( 1.805 0.526 -0.978) 2.119 1.203 ( -1.849 -4.555 5.248) 7.191 1.358 ( -4.098 -3.734 0.418) 5.560 1.430 ( -0.078 -3.466 -1.573) 3.807 1.494 ( -2.063 -1.990 -1.337) 3.163 1.700 ( -2.676 -1.537 2.690) 4.094 1.726 ( 0.031 0.130 1.171) 1.178 1.793 ( 0.281 0.431 2.904) 2.949 1.887 ( -6.034 1.650 -0.212) 6.260 1.895 ( -1.544 3.959 0.747) 4.315 1.940 ( -0.047 3.273 0.066) 3.274 2.264 ( 7.450 0.551 -2.681) 7.937 2.336 ( -1.054 0.874 -2.448) 2.804 2.527 ( -3.498 0.734 6.249) 7.199 2.917 ( -2.986 0.597 3.243) 4.449 2.994 ( -2.264 -0.363 -8.033) 8.353 3.045 ( -4.799 0.140 -1.650) 5.077 3.362 ( 3.185 0.055 1.880) 3.699 3.535 ( 5.129 0.295 -5.188) 7.302 3.725 ( 0.212 -0.119 0.800) 0.836 3.810 ( -0.330 -0.451 -2.555) 2.616 3.884 ( -4.822 -0.226 2.943) 5.653 4.005 ( -2.952 -0.139 -2.860) 4.113 4.081 ( 1.183 0.104 5.516) 5.642 4.286 ( -4.898 0.041 0.207) 4.903 4.628 ( 3.238 -0.221 6.727) 7.469 4.838 ( 0.857 -0.062 -1.460) 1.694 4.884 ( -2.841 -0.082 0.832) 2.961 4.979 ( -5.561 -0.049 -1.269) 5.704 5.074 ( 3.768 -0.148 2.391) 4.465 5.128 ( -0.297 -0.285 2.413) 2.448 5.305 ( 6.287 0.345 -3.172) 7.050 5.383 ( 0.609 -1.339 -5.530) 5.722 5.989 ( 0.967 -0.098 3.693) 3.818 6.131 ( -0.350 -0.678 -1.736) 1.896 ======================= Grid point 171 (57/129) ======================= q-point: (-0.42 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( -0.234 -0.374 1.261) 1.336 0.964 ( 1.096 0.042 -1.501) 1.859 1.121 ( -9.446 -5.596 4.371) 11.817 1.323 ( -5.066 -5.439 -2.190) 7.749 1.448 ( 1.361 -4.725 -1.657) 5.189 1.506 ( 1.602 -4.618 -2.464) 5.474 1.634 ( -6.319 -0.695 7.925) 10.160 1.703 ( -5.809 0.899 0.875) 5.943 1.707 ( -3.339 1.206 -0.284) 3.561 1.792 ( -0.018 0.967 2.472) 2.654 1.860 ( -1.341 4.417 0.925) 4.708 1.929 ( -0.590 3.637 -0.971) 3.811 2.295 ( -2.265 1.969 -0.944) 3.146 2.338 ( -4.027 2.788 0.072) 4.898 2.441 ( -0.367 0.605 3.994) 4.056 2.814 ( -8.389 0.374 1.998) 8.631 2.820 ( -12.559 -0.043 -1.002) 12.599 3.007 ( -0.670 0.312 -8.024) 8.058 3.450 ( 5.425 0.332 2.721) 6.078 3.662 ( 6.678 0.443 -5.936) 8.946 3.730 ( 0.258 -0.050 0.857) 0.896 3.806 ( -0.604 -0.382 -1.127) 1.334 3.826 ( -0.534 0.049 0.101) 0.545 3.938 ( -3.165 -0.023 -4.823) 5.768 4.080 ( -0.491 0.088 5.696) 5.718 4.219 ( -1.793 -0.053 2.638) 3.190 4.644 ( -1.624 -0.995 6.571) 6.842 4.849 ( -0.604 -0.126 -0.645) 0.893 4.862 ( -0.444 -0.189 -0.865) 0.990 4.881 ( -2.843 -0.235 -1.222) 3.104 5.130 ( -0.017 -0.420 3.510) 3.535 5.147 ( 3.486 -0.283 3.647) 5.053 5.374 ( 0.404 -2.178 -4.131) 4.688 5.457 ( 6.259 -0.001 -5.598) 8.397 6.018 ( 1.936 -0.195 3.383) 3.903 6.129 ( -0.326 -1.249 -0.824) 1.531 ======================= Grid point 172 (58/129) ======================= q-point: (-0.33 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( -2.719 -0.477 1.262) 3.035 0.924 ( -12.024 -2.467 3.605) 12.793 0.982 ( 0.031 -1.909 -1.378) 2.355 1.194 ( -8.993 -1.412 -3.503) 9.753 1.431 ( -8.351 -1.413 3.059) 9.006 1.557 ( 0.362 -4.627 5.538) 7.226 1.564 ( 0.993 -2.263 -3.932) 4.644 1.613 ( -4.442 0.408 1.413) 4.679 1.626 ( -3.231 0.686 0.291) 3.316 1.779 ( -4.888 1.119 3.169) 5.932 1.808 ( 0.266 -0.012 1.431) 1.455 1.870 ( -3.707 0.696 -1.507) 4.062 2.128 ( -10.305 5.355 4.434) 12.432 2.231 ( -2.982 2.475 0.834) 3.964 2.464 ( -1.390 0.048 -3.512) 3.778 2.503 ( -17.284 -0.324 -1.049) 17.318 2.675 ( -5.548 0.229 4.171) 6.945 2.990 ( -0.562 0.949 -9.036) 9.103 3.536 ( 2.727 0.629 2.881) 4.017 3.710 ( -1.528 0.469 -3.614) 3.952 3.733 ( -0.206 0.225 0.779) 0.836 3.776 ( -3.479 0.657 -0.019) 3.541 3.855 ( 1.601 -0.315 -2.769) 3.214 3.909 ( 0.851 0.240 -5.745) 5.813 4.128 ( 7.063 0.316 3.739) 7.997 4.214 ( 1.107 -0.334 2.204) 2.489 4.611 ( -1.803 -1.890 7.030) 7.499 4.800 ( -2.281 -0.226 -0.208) 2.301 4.852 ( -0.842 -0.268 -0.909) 1.267 4.875 ( -0.306 0.070 -0.764) 0.826 5.118 ( -1.586 -0.771 4.492) 4.826 5.222 ( 3.856 -0.832 3.884) 5.536 5.378 ( -1.733 -4.586 -3.559) 6.058 5.582 ( 6.587 1.258 -7.261) 9.884 6.066 ( 2.844 -0.358 3.313) 4.381 6.133 ( 0.089 -1.256 0.632) 1.409 ======================= Grid point 173 (59/129) ======================= q-point: (-0.25 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.677 ( -12.850 0.112 4.912) 13.758 0.765 ( -7.226 2.203 3.356) 8.266 0.968 ( -6.711 -1.417 -2.939) 7.462 1.045 ( -1.579 0.491 -2.197) 2.749 1.297 ( -5.613 -0.549 1.985) 5.978 1.417 ( -14.891 4.356 13.898) 20.829 1.454 ( -6.756 4.850 -2.223) 8.608 1.599 ( -2.609 -3.300 1.310) 4.406 1.620 ( -1.172 -3.622 -3.182) 4.962 1.646 ( -5.503 -2.345 3.461) 6.911 1.784 ( -2.793 -1.029 -1.005) 3.142 1.869 ( 2.299 -3.112 1.092) 4.020 1.993 ( -1.056 2.365 -0.788) 2.707 2.151 ( -4.526 1.582 -0.851) 4.869 2.200 ( -11.895 -0.245 -0.466) 11.907 2.338 ( -9.479 0.145 -3.315) 10.043 2.646 ( 1.248 0.186 4.090) 4.280 2.984 ( 0.663 1.373 -9.716) 9.835 3.541 ( -1.357 0.509 1.507) 2.091 3.637 ( -8.514 0.363 -0.357) 8.529 3.643 ( -5.423 0.759 -2.619) 6.070 3.694 ( -4.093 0.615 -3.619) 5.498 3.884 ( 1.372 -0.257 1.326) 1.925 3.970 ( 4.611 0.199 -4.167) 6.219 4.246 ( 2.509 -1.640 2.171) 3.701 4.322 ( 10.034 0.066 -0.150) 10.036 4.609 ( 0.757 -2.279 7.623) 7.992 4.776 ( -0.309 0.068 0.265) 0.413 4.829 ( -1.388 -0.151 -0.596) 1.518 4.861 ( -0.733 0.690 -0.875) 1.334 5.075 ( -3.371 -1.161 5.472) 6.531 5.293 ( 1.077 -4.282 1.582) 4.690 5.355 ( -2.592 -4.525 -0.810) 5.278 5.691 ( 5.275 2.117 -9.412) 10.995 6.133 ( 3.791 -0.604 3.506) 5.199 6.148 ( 0.945 -0.381 2.270) 2.488 ======================= Grid point 174 (60/129) ======================= q-point: (-0.17 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.443 ( -8.657 6.166 7.220) 12.849 0.580 ( -8.257 5.317 10.271) 14.211 0.795 ( -8.503 3.131 -2.843) 9.497 1.036 ( -15.932 3.990 14.256) 21.749 1.084 ( 2.884 -0.992 -5.991) 6.723 1.240 ( -3.669 -1.292 4.056) 5.620 1.312 ( -4.414 3.309 2.178) 5.931 1.541 ( -4.392 -2.612 0.390) 5.125 1.554 ( -6.225 -1.680 -1.450) 6.609 1.598 ( 0.119 -0.024 4.573) 4.575 1.763 ( 0.298 -1.072 -2.198) 2.463 1.932 ( 1.407 -3.393 2.115) 4.239 2.007 ( 1.701 -0.304 -1.557) 2.326 2.042 ( -2.705 0.076 -6.573) 7.108 2.101 ( -1.513 -0.415 -0.389) 1.617 2.165 ( -7.408 -0.142 -2.051) 7.688 2.681 ( 2.312 0.305 3.354) 4.085 3.000 ( 1.520 1.373 -10.423) 10.622 3.450 ( -8.397 0.263 0.214) 8.404 3.503 ( -2.310 0.232 -0.114) 2.325 3.542 ( -7.803 -0.439 -4.458) 8.997 3.563 ( -6.165 0.748 -3.871) 7.318 3.906 ( 0.728 -0.030 1.888) 2.024 4.045 ( 2.420 -0.100 -4.649) 5.242 4.308 ( 2.723 -2.242 5.406) 6.455 4.497 ( 6.927 -3.048 0.253) 7.572 4.679 ( 5.639 -2.012 6.321) 8.706 4.780 ( 0.631 0.543 0.710) 1.095 4.809 ( -0.485 0.198 0.190) 0.557 4.840 ( -1.011 1.014 -0.925) 1.705 5.004 ( -4.504 -2.114 5.581) 7.477 5.237 ( -10.069 -12.087 -2.796) 15.978 5.377 ( 2.088 0.201 5.098) 5.513 5.758 ( 2.780 2.556 -11.047) 11.675 6.167 ( 0.992 0.766 3.190) 3.428 6.222 ( 4.669 -1.072 2.999) 5.651 ======================= Grid point 175 (61/129) ======================= q-point: (-0.08 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.297 ( 0.000 13.133 7.000) 14.882 0.464 ( 0.000 5.567 17.304) 18.177 0.651 ( 0.000 2.498 8.270) 8.639 0.860 ( 0.000 2.180 9.740) 9.982 1.120 ( 0.000 1.580 -9.774) 9.901 1.202 ( -0.000 -2.565 -1.932) 3.211 1.264 ( 0.000 1.482 7.631) 7.773 1.481 ( -0.000 -0.776 1.234) 1.458 1.503 ( -0.000 -1.621 0.006) 1.621 1.620 ( -0.000 -1.705 4.656) 4.959 1.779 ( -0.000 -0.014 -3.619) 3.619 1.943 ( -0.000 -0.617 2.440) 2.517 2.025 ( 0.000 0.687 -7.596) 7.627 2.062 ( -0.000 -2.734 -0.079) 2.735 2.066 ( 0.000 0.085 -1.945) 1.947 2.103 ( -0.000 -0.034 -2.595) 2.595 2.721 ( -0.000 -0.040 1.083) 1.084 3.013 ( 0.000 1.197 -11.085) 11.150 3.358 ( 0.000 0.142 0.247) 0.285 3.361 ( 0.000 0.149 0.142) 0.206 3.489 ( 0.000 0.044 0.316) 0.319 3.516 ( 0.000 0.057 -0.603) 0.606 3.913 ( 0.000 0.019 1.783) 1.783 4.066 ( -0.000 -0.269 -5.307) 5.314 4.351 ( -0.000 -1.372 6.658) 6.798 4.602 ( -0.000 -3.728 -3.146) 4.879 4.776 ( -0.000 -0.684 2.089) 2.198 4.808 ( 0.000 1.170 1.026) 1.556 4.816 ( 0.000 0.068 0.241) 0.251 4.834 ( 0.000 0.067 -0.399) 0.405 4.944 ( -0.000 -7.768 7.061) 10.498 5.131 ( -0.000 -10.017 2.325) 10.283 5.399 ( -0.000 -0.196 5.176) 5.179 5.771 ( 0.000 2.899 -11.062) 11.436 6.172 ( 0.000 0.978 4.012) 4.129 6.293 ( -0.000 -2.121 -0.307) 2.143 ======================= Grid point 178 (62/129) ======================= q-point: ( 0.17 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( 0.249 -0.000 0.919) 0.952 0.963 ( -2.210 0.000 -1.652) 2.759 1.257 ( 10.453 -0.000 3.331) 10.971 1.428 ( 8.943 -0.000 -1.125) 9.013 1.575 ( 1.389 -0.000 -1.898) 2.352 1.590 ( 0.334 -0.000 -1.155) 1.203 1.674 ( 8.740 -0.000 6.852) 11.106 1.697 ( -0.607 0.000 0.010) 0.607 1.699 ( 0.021 -0.000 -0.393) 0.394 1.741 ( -2.526 0.000 -0.072) 2.527 1.748 ( 1.267 -0.000 0.123) 1.273 1.820 ( -2.393 0.000 3.755) 4.452 2.253 ( 3.456 -0.000 -1.228) 3.667 2.271 ( 8.673 -0.000 2.467) 9.017 2.434 ( -1.529 0.000 2.942) 3.316 2.805 ( 6.692 -0.000 3.264) 7.445 2.822 ( 13.956 -0.000 -1.958) 14.093 3.001 ( 1.250 -0.000 -7.983) 8.080 3.443 ( -5.030 0.000 2.997) 5.855 3.653 ( -6.729 0.000 -5.550) 8.723 3.731 ( -0.090 0.000 0.971) 0.975 3.812 ( 1.677 -0.000 -0.231) 1.693 3.826 ( 0.363 -0.000 -0.408) 0.546 3.939 ( 3.433 -0.000 -4.647) 5.778 4.079 ( 0.565 -0.000 5.832) 5.859 4.220 ( 1.612 -0.000 2.994) 3.400 4.663 ( 0.774 -0.000 6.057) 6.106 4.851 ( 0.522 -0.000 -0.675) 0.854 4.868 ( -0.497 0.000 -0.949) 1.071 4.884 ( 3.585 -0.000 -1.200) 3.781 5.138 ( -0.190 0.000 4.248) 4.252 5.151 ( -3.780 0.000 3.697) 5.287 5.425 ( -6.326 0.000 -4.445) 7.732 5.450 ( -1.607 0.000 -7.217) 7.394 6.025 ( -2.105 0.000 4.581) 5.042 6.153 ( -0.042 0.000 -0.728) 0.730 ======================= Grid point 179 (63/129) ======================= q-point: ( 0.25 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( 0.142 0.097 0.358) 0.397 0.922 ( -1.942 -0.177 -0.810) 2.112 1.348 ( -1.549 1.904 4.182) 4.849 1.494 ( -2.652 2.575 0.482) 3.727 1.535 ( -1.788 0.580 1.328) 2.302 1.550 ( -3.416 1.958 -1.206) 4.118 1.669 ( 1.191 -1.279 0.353) 1.783 1.708 ( 0.485 -3.049 -0.935) 3.226 1.776 ( -0.052 0.227 4.544) 4.550 1.796 ( 4.437 -0.707 0.736) 4.553 1.803 ( 4.659 -0.361 0.136) 4.675 1.903 ( 10.763 -0.138 1.511) 10.869 2.248 ( -6.959 -0.214 -3.263) 7.689 2.312 ( 2.359 -0.280 -2.862) 3.720 2.503 ( 4.608 -0.303 7.379) 8.705 2.909 ( 3.862 -0.006 4.112) 5.641 2.998 ( 1.616 -0.004 -8.685) 8.834 3.041 ( 5.071 -0.042 -1.477) 5.282 3.361 ( -2.996 -0.016 2.222) 3.731 3.526 ( -4.843 -0.107 -4.356) 6.515 3.728 ( -0.271 0.028 0.926) 0.965 3.822 ( 0.008 0.124 -2.727) 2.730 3.890 ( 4.981 0.066 3.218) 5.930 4.008 ( 2.917 0.042 -2.520) 3.855 4.079 ( -1.288 -0.017 5.517) 5.666 4.285 ( 4.921 -0.015 0.348) 4.934 4.633 ( -3.920 0.055 6.776) 7.829 4.839 ( -0.951 0.020 -1.375) 1.672 4.886 ( 2.744 0.018 0.703) 2.832 4.981 ( 5.251 0.025 -1.345) 5.421 5.077 ( -3.889 0.025 2.555) 4.653 5.134 ( 0.363 0.058 2.898) 2.921 5.300 ( -6.562 -0.020 -3.153) 7.280 5.414 ( -1.826 0.297 -6.732) 6.981 5.992 ( -1.164 0.050 4.502) 4.650 6.148 ( -0.448 0.171 -1.659) 1.727 ======================= Grid point 180 (64/129) ======================= q-point: ( 0.33 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( -0.502 0.387 0.394) 0.747 0.906 ( 1.109 -0.414 -0.401) 1.250 1.248 ( -5.201 1.873 5.394) 7.724 1.414 ( -4.639 -1.794 1.353) 5.155 1.449 ( -4.086 1.856 -1.908) 4.876 1.510 ( -2.162 -1.353 0.118) 2.554 1.706 ( -0.004 -1.113 0.890) 1.425 1.714 ( 0.090 -1.429 0.808) 1.644 1.777 ( 0.747 -0.372 4.270) 4.351 1.899 ( 4.314 1.595 -0.078) 4.600 1.904 ( 5.309 1.338 -0.114) 5.477 2.087 ( -8.143 -0.308 1.691) 8.322 2.103 ( 8.500 0.153 -3.727) 9.283 2.344 ( 0.800 -0.057 -3.066) 3.169 2.553 ( 0.585 -0.317 5.612) 5.651 2.950 ( 0.494 0.716 3.358) 3.469 3.000 ( -0.336 -0.643 -8.086) 8.119 3.099 ( 0.139 0.026 -1.268) 1.276 3.332 ( 0.009 -0.003 1.683) 1.683 3.483 ( 0.350 -0.038 -4.343) 4.357 3.723 ( -0.145 -0.009 0.876) 0.888 3.816 ( -0.511 0.026 -2.731) 2.778 3.962 ( -0.636 0.004 1.529) 1.656 4.035 ( -0.184 0.014 -1.279) 1.292 4.047 ( 0.421 0.005 7.300) 7.312 4.359 ( 0.018 -0.011 -4.238) 4.238 4.569 ( -0.019 -0.006 9.385) 9.385 4.828 ( -0.054 0.004 -1.814) 1.815 4.937 ( -0.020 0.006 2.780) 2.780 5.017 ( -0.209 0.006 0.986) 1.008 5.045 ( 0.177 -0.023 0.569) 0.596 5.166 ( -1.993 -0.021 -3.091) 3.678 5.195 ( 1.801 0.027 0.569) 1.889 5.383 ( -1.206 0.013 -5.995) 6.115 5.980 ( -0.116 0.002 4.047) 4.049 6.136 ( -0.637 0.000 -2.012) 2.110 ======================= Grid point 181 (65/129) ======================= q-point: (-0.58 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( -0.253 -0.009 1.326) 1.350 0.941 ( 1.947 0.387 -0.972) 2.210 1.163 ( -4.254 -2.885 5.753) 7.714 1.324 ( -4.879 -2.538 0.512) 5.523 1.400 ( -1.304 -2.195 -1.680) 3.056 1.474 ( -2.275 -1.762 -2.663) 3.921 1.686 ( -1.918 -1.125 3.934) 4.519 1.728 ( 0.358 0.150 0.753) 0.847 1.796 ( 0.708 0.180 2.848) 2.940 1.894 ( -9.732 0.234 0.394) 9.743 1.938 ( 0.939 3.630 0.286) 3.761 1.970 ( 1.688 2.130 -0.354) 2.740 2.269 ( 7.546 0.370 -2.553) 7.975 2.344 ( -0.583 0.616 -2.361) 2.508 2.533 ( -2.808 0.424 5.954) 6.597 2.924 ( -3.061 0.659 3.211) 4.485 2.990 ( -2.032 -0.423 -8.203) 8.462 3.046 ( -4.818 0.085 -1.612) 5.081 3.363 ( 3.254 0.039 1.756) 3.698 3.538 ( 5.236 0.184 -5.464) 7.570 3.724 ( 0.197 -0.091 0.748) 0.779 3.806 ( -0.476 -0.322 -2.513) 2.578 3.882 ( -4.769 -0.162 2.824) 5.545 4.003 ( -2.963 -0.098 -2.977) 4.201 4.082 ( 1.154 0.089 5.513) 5.633 4.287 ( -4.890 0.026 0.156) 4.892 4.626 ( 2.994 -0.166 6.717) 7.356 4.837 ( 0.822 -0.042 -1.492) 1.704 4.883 ( -2.878 -0.064 0.881) 3.011 4.979 ( -5.691 -0.023 -1.262) 5.829 5.073 ( 3.734 -0.123 2.356) 4.416 5.125 ( -0.291 -0.230 2.226) 2.257 5.309 ( 6.498 0.419 -3.219) 7.264 5.370 ( -0.162 -1.134 -5.045) 5.173 5.988 ( 0.953 -0.045 3.387) 3.518 6.124 ( -0.673 -0.510 -1.754) 1.947 ======================= Grid point 182 (66/129) ======================= q-point: (-0.50 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( -0.526 -0.471 1.402) 1.570 0.965 ( 0.430 0.040 -1.424) 1.488 1.068 ( -7.896 -4.192 5.040) 10.263 1.267 ( -4.148 -4.806 -1.589) 6.544 1.406 ( 0.491 -3.201 -2.146) 3.885 1.461 ( 0.032 -3.819 -3.543) 5.209 1.628 ( -5.961 -0.376 9.132) 10.912 1.711 ( -5.993 0.583 0.705) 6.062 1.718 ( -2.181 0.789 -0.533) 2.380 1.800 ( -0.041 0.581 2.237) 2.311 1.905 ( -2.188 4.007 0.568) 4.600 1.960 ( -1.842 2.102 -0.965) 2.957 2.314 ( -1.878 1.589 -0.918) 2.626 2.363 ( -1.255 1.844 -1.442) 2.656 2.449 ( -2.012 0.944 4.899) 5.380 2.816 ( -13.100 -0.005 -1.057) 13.142 2.821 ( -8.046 0.303 1.910) 8.275 3.010 ( -0.355 0.285 -8.033) 8.046 3.453 ( 5.614 0.281 2.579) 6.184 3.666 ( 6.654 0.351 -6.092) 9.028 3.730 ( 0.349 -0.040 0.792) 0.867 3.801 ( -0.247 -0.361 -1.297) 1.369 3.827 ( -0.409 0.070 0.028) 0.416 3.938 ( -3.039 -0.017 -4.912) 5.776 4.082 ( -0.424 0.110 5.618) 5.635 4.218 ( -1.918 -0.068 2.453) 3.115 4.634 ( -2.121 -0.888 6.867) 7.242 4.848 ( -0.653 -0.110 -0.628) 0.913 4.861 ( -0.446 -0.036 -0.830) 0.943 4.878 ( -2.912 -0.318 -1.224) 3.175 5.125 ( -0.197 -0.383 3.243) 3.272 5.143 ( 3.322 -0.330 3.466) 4.812 5.353 ( -0.874 -1.764 -3.407) 3.935 5.457 ( 6.991 -0.075 -5.311) 8.779 6.017 ( 1.961 -0.025 2.739) 3.369 6.116 ( -0.570 -1.167 -0.823) 1.537 ======================= Grid point 183 (67/129) ======================= q-point: (-0.42 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( -4.421 -1.896 1.080) 4.931 0.916 ( -7.438 0.814 3.647) 8.323 0.962 ( -1.064 -1.835 -0.919) 2.311 1.176 ( -6.767 -1.909 -3.250) 7.746 1.408 ( -5.936 -3.039 0.254) 6.673 1.505 ( -0.400 -4.474 4.431) 6.310 1.516 ( 0.406 -5.125 1.817) 5.453 1.632 ( -3.363 1.805 0.242) 3.824 1.648 ( -3.997 2.564 0.645) 4.792 1.794 ( -3.414 1.171 1.612) 3.953 1.813 ( -3.183 1.351 1.543) 3.787 1.878 ( -5.184 0.662 -1.380) 5.405 2.180 ( -10.540 4.276 3.885) 12.019 2.256 ( -3.186 2.016 0.754) 3.845 2.464 ( -1.325 0.007 -3.542) 3.781 2.500 ( -17.353 -0.307 -0.985) 17.383 2.678 ( -5.666 0.248 4.179) 7.044 3.000 ( -0.221 0.934 -8.956) 9.007 3.543 ( 2.800 0.607 2.870) 4.055 3.715 ( -1.343 0.453 -3.499) 3.775 3.736 ( 0.032 0.230 0.890) 0.919 3.783 ( -3.070 0.699 -0.018) 3.148 3.851 ( 1.296 -0.303 -2.769) 3.072 3.912 ( 0.949 0.236 -5.746) 5.829 4.132 ( 7.156 0.536 3.259) 7.881 4.210 ( 0.840 -0.524 1.825) 2.076 4.589 ( -2.493 -2.151 8.116) 8.758 4.798 ( -2.214 -0.206 -0.209) 2.233 4.851 ( -0.708 0.047 -0.805) 1.073 4.874 ( -0.130 -0.191 -0.690) 0.728 5.110 ( -1.843 -0.824 4.037) 4.514 5.210 ( 2.712 -1.461 3.111) 4.378 5.335 ( -2.171 -3.399 -1.230) 4.216 5.593 ( 6.993 0.824 -7.351) 10.180 6.064 ( 2.799 -0.056 2.549) 3.786 6.119 ( 0.250 -1.419 0.641) 1.577 ======================= Grid point 184 (68/129) ======================= q-point: (-0.33 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( -8.836 2.843 4.119) 10.155 0.791 ( -6.177 2.625 2.401) 7.128 0.945 ( -3.419 -2.602 -1.851) 4.678 1.055 ( -3.721 1.160 -0.201) 3.903 1.292 ( -4.959 -0.548 3.738) 6.235 1.451 ( -12.926 -0.130 13.024) 18.350 1.504 ( -6.368 4.666 -0.853) 7.940 1.561 ( -3.370 -1.379 -0.837) 3.736 1.575 ( -0.386 -4.599 -5.304) 7.031 1.639 ( -4.754 0.280 3.392) 5.846 1.771 ( -3.605 -1.250 -1.158) 3.987 1.840 ( 1.074 -2.279 1.757) 3.072 2.014 ( -3.675 1.565 -0.719) 4.058 2.166 ( -6.122 1.106 -1.377) 6.372 2.198 ( -11.219 -0.298 0.027) 11.223 2.340 ( -9.529 0.134 -3.342) 10.099 2.648 ( 1.359 0.227 4.601) 4.803 2.999 ( 0.875 1.494 -9.363) 9.522 3.547 ( -1.479 0.562 1.573) 2.231 3.641 ( -7.960 0.371 -0.461) 7.982 3.652 ( -6.232 1.060 -2.399) 6.761 3.701 ( -4.060 0.583 -3.172) 5.185 3.881 ( 1.560 -0.215 1.310) 2.048 3.973 ( 4.532 0.250 -4.381) 6.308 4.225 ( 1.311 -2.351 2.501) 3.675 4.325 ( 9.341 0.513 0.104) 9.356 4.580 ( 0.462 -3.234 9.084) 9.654 4.777 ( -0.107 0.024 0.116) 0.160 4.831 ( -1.033 0.406 -0.457) 1.200 4.867 ( -0.423 0.456 -0.553) 0.833 5.061 ( -3.693 -1.324 4.797) 6.197 5.223 ( -4.977 -7.551 -0.502) 9.057 5.334 ( 1.782 -0.589 4.164) 4.568 5.710 ( 5.375 1.494 -9.881) 11.347 6.127 ( 3.638 -0.522 3.360) 4.980 6.143 ( 1.681 -0.368 1.700) 2.419 ======================= Grid point 185 (69/129) ======================= q-point: (-0.25 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.530 ( -3.413 9.936 6.246) 12.222 0.639 ( -6.277 5.443 8.470) 11.864 0.828 ( -6.915 2.728 -2.487) 7.839 1.068 ( 1.550 -1.396 -0.969) 2.300 1.091 ( -14.287 5.435 12.943) 20.029 1.233 ( -3.561 0.065 4.594) 5.813 1.353 ( -5.465 4.437 0.492) 7.057 1.506 ( -4.022 -3.847 -0.045) 5.566 1.530 ( -5.617 -2.755 -2.361) 6.687 1.599 ( -0.335 0.092 3.812) 3.828 1.746 ( 0.166 -2.171 -1.876) 2.873 1.893 ( 2.348 -3.699 2.710) 5.152 2.002 ( 0.991 -0.831 -2.841) 3.121 2.042 ( -2.586 -0.183 -6.305) 6.817 2.091 ( -3.146 -1.289 -0.601) 3.453 2.164 ( -7.529 -0.070 -2.302) 7.874 2.685 ( 2.275 0.362 4.121) 4.721 3.017 ( 1.589 1.712 -9.758) 10.034 3.453 ( -8.477 0.339 0.320) 8.490 3.506 ( -2.485 0.303 0.031) 2.504 3.538 ( -8.179 -0.340 -3.922) 9.077 3.571 ( -6.391 0.585 -3.751) 7.433 3.906 ( 0.842 0.072 1.946) 2.121 4.044 ( 2.118 -0.160 -4.905) 5.345 4.271 ( 1.824 -4.671 8.194) 9.606 4.468 ( 4.986 -1.975 4.018) 6.701 4.651 ( 4.861 -3.242 5.854) 8.271 4.785 ( 0.878 0.426 0.336) 1.032 4.814 ( -0.169 0.774 0.156) 0.808 4.852 ( -0.873 1.081 -0.342) 1.431 4.978 ( -6.187 -2.698 4.388) 8.051 5.121 ( -8.724 -9.162 1.430) 12.732 5.379 ( 2.051 0.269 5.343) 5.730 5.780 ( 2.589 1.550 -11.595) 11.982 6.176 ( 1.537 0.980 2.253) 2.898 6.211 ( 4.272 -0.914 3.046) 5.326 ======================= Grid point 186 (70/129) ======================= q-point: (-0.17 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.449 ( 0.000 14.492 4.234) 15.098 0.543 ( 0.000 8.872 14.705) 17.174 0.687 ( 0.000 4.282 4.397) 6.137 0.894 ( 0.000 4.140 13.822) 14.429 1.144 ( 0.000 2.966 -9.035) 9.510 1.166 ( -0.000 -4.132 0.623) 4.179 1.286 ( 0.000 2.584 6.054) 6.583 1.468 ( -0.000 -1.591 0.571) 1.690 1.478 ( -0.000 -3.062 0.035) 3.062 1.604 ( -0.000 -1.141 4.510) 4.652 1.770 ( -0.000 -1.739 -3.495) 3.904 1.934 ( -0.000 -1.056 2.769) 2.963 2.025 ( -0.000 -3.104 -1.393) 3.402 2.030 ( -0.000 -0.837 -5.908) 5.967 2.067 ( 0.000 0.124 -2.040) 2.044 2.097 ( -0.000 -1.121 -6.451) 6.548 2.720 ( -0.000 -0.087 2.235) 2.237 3.029 ( 0.000 1.745 -10.384) 10.530 3.360 ( 0.000 0.247 0.254) 0.354 3.363 ( 0.000 0.260 0.145) 0.298 3.490 ( 0.000 0.075 0.334) 0.342 3.516 ( 0.000 0.098 -0.592) 0.600 3.913 ( 0.000 0.120 1.883) 1.887 4.062 ( -0.000 -0.545 -5.195) 5.223 4.323 ( -0.000 -4.261 9.658) 10.556 4.548 ( -0.000 -5.541 4.555) 7.173 4.755 ( -0.000 -3.979 5.630) 6.894 4.817 ( 0.000 0.118 0.222) 0.251 4.823 ( 0.000 1.304 1.556) 2.030 4.835 ( 0.000 0.115 -0.418) 0.434 4.852 ( -0.000 -6.231 5.402) 8.246 5.053 ( -0.000 -4.921 4.131) 6.425 5.399 ( 0.000 0.203 5.412) 5.416 5.796 ( 0.000 1.774 -12.122) 12.251 6.185 ( 0.000 1.425 2.785) 3.128 6.271 ( -0.000 -1.848 1.142) 2.172 ======================= Grid point 191 (71/129) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( -1.040 0.000 0.294) 1.081 0.903 ( 1.734 -0.000 -0.312) 1.761 1.259 ( -6.157 0.000 5.671) 8.370 1.402 ( -5.374 0.000 1.060) 5.477 1.463 ( -5.071 0.000 -1.350) 5.247 1.499 ( -2.129 0.000 -0.777) 2.267 1.697 ( -0.783 0.000 1.204) 1.436 1.709 ( 1.750 -0.000 0.732) 1.897 1.775 ( 0.877 -0.000 4.388) 4.475 1.908 ( 5.110 -0.000 -0.020) 5.110 1.911 ( 5.304 -0.000 -0.126) 5.306 2.085 ( -8.282 0.000 1.433) 8.405 2.104 ( 8.671 -0.000 -3.525) 9.360 2.344 ( 0.933 -0.000 -3.104) 3.241 2.551 ( 0.670 -0.000 5.672) 5.712 2.955 ( 0.669 -0.000 4.300) 4.351 2.996 ( -0.482 0.000 -9.042) 9.055 3.099 ( 0.158 -0.000 -1.267) 1.276 3.332 ( 0.010 -0.000 1.684) 1.684 3.483 ( 0.403 -0.000 -4.336) 4.354 3.723 ( -0.168 0.000 0.873) 0.889 3.816 ( -0.589 0.000 -2.744) 2.806 3.962 ( -0.734 0.000 1.533) 1.700 4.035 ( -0.219 0.000 -1.321) 1.339 4.047 ( 0.491 -0.000 7.339) 7.355 4.359 ( 0.020 -0.000 -4.238) 4.238 4.569 ( -0.022 0.000 9.387) 9.387 4.828 ( -0.062 0.000 -1.814) 1.815 4.937 ( -0.022 0.000 2.779) 2.779 5.017 ( -0.244 0.000 0.984) 1.014 5.045 ( 0.207 -0.000 0.568) 0.605 5.166 ( -2.280 0.000 -3.071) 3.825 5.195 ( 2.059 -0.000 0.552) 2.132 5.383 ( -1.392 0.000 -5.996) 6.156 5.980 ( -0.134 0.000 4.047) 4.050 6.136 ( -0.736 0.000 -2.012) 2.142 ======================= Grid point 192 (72/129) ======================= q-point: (-0.67 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( -0.322 0.006 1.470) 1.505 0.944 ( 2.072 0.145 -0.957) 2.287 1.143 ( -5.936 -0.968 6.087) 8.557 1.306 ( -4.877 -0.925 0.528) 4.992 1.385 ( -2.349 -0.716 -1.672) 2.971 1.460 ( -2.128 -0.723 -3.484) 4.146 1.678 ( -1.392 -0.380 4.539) 4.763 1.729 ( 0.483 0.051 0.566) 0.745 1.798 ( 0.957 0.049 2.840) 2.997 1.895 ( -10.121 0.043 0.467) 10.132 1.968 ( 1.314 1.808 0.022) 2.236 1.983 ( 1.757 0.247 -0.296) 1.799 2.272 ( 7.586 0.130 -2.495) 7.987 2.349 ( -0.320 0.223 -2.329) 2.362 2.536 ( -2.337 0.131 5.810) 6.263 2.929 ( -3.284 0.310 3.420) 4.752 2.986 ( -1.704 -0.209 -8.559) 8.729 3.047 ( -4.853 0.027 -1.566) 5.100 3.363 ( 3.295 0.014 1.685) 3.701 3.539 ( 5.298 0.060 -5.614) 7.719 3.723 ( 0.190 -0.034 0.716) 0.741 3.804 ( -0.567 -0.115 -2.497) 2.563 3.881 ( -4.741 -0.058 2.753) 5.482 4.003 ( -2.969 -0.035 -3.042) 4.251 4.083 ( 1.139 0.035 5.510) 5.627 4.287 ( -4.885 0.009 0.127) 4.887 4.624 ( 2.855 -0.062 6.713) 7.295 4.837 ( 0.801 -0.014 -1.511) 1.710 4.883 ( -2.900 -0.024 0.909) 3.039 4.979 ( -5.771 -0.006 -1.262) 5.908 5.072 ( 3.717 -0.048 2.341) 4.393 5.123 ( -0.294 -0.089 2.116) 2.138 5.312 ( 6.956 0.223 -3.271) 7.690 5.361 ( -0.945 -0.482 -4.739) 4.857 5.988 ( 0.961 -0.011 3.207) 3.348 6.121 ( -0.869 -0.190 -1.762) 1.974 ======================= Grid point 193 (73/129) ======================= q-point: (-0.58 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( -1.034 -0.399 1.505) 1.869 0.965 ( -0.107 0.065 -1.389) 1.395 1.034 ( -6.087 -2.167 5.618) 8.562 1.226 ( -4.365 -2.804 -1.175) 5.319 1.381 ( 0.775 -1.587 -2.291) 2.892 1.429 ( -1.539 -2.148 -4.361) 5.099 1.625 ( -5.747 -0.179 9.620) 11.207 1.715 ( -6.224 0.279 0.741) 6.274 1.724 ( -1.332 0.378 -0.761) 1.580 1.805 ( -0.066 0.277 1.994) 2.014 1.942 ( -2.605 2.844 0.188) 3.862 1.973 ( -2.588 0.419 -0.664) 2.705 2.327 ( -1.665 0.871 -0.932) 2.097 2.376 ( 0.747 0.782 -2.447) 2.675 2.459 ( -3.261 0.778 5.460) 6.407 2.816 ( -14.099 -0.052 -1.702) 14.201 2.824 ( -7.213 0.228 2.454) 7.622 3.013 ( -0.114 0.171 -8.033) 8.036 3.455 ( 5.749 0.160 2.473) 6.260 3.669 ( 6.637 0.186 -6.187) 9.075 3.730 ( 0.419 -0.022 0.742) 0.852 3.798 ( -0.037 -0.217 -1.363) 1.380 3.827 ( -0.256 0.050 -0.110) 0.283 3.938 ( -2.951 -0.008 -4.979) 5.788 4.083 ( -0.355 0.080 5.554) 5.566 4.218 ( -2.029 -0.051 2.315) 3.079 4.626 ( -2.518 -0.524 7.104) 7.555 4.847 ( -0.683 -0.063 -0.619) 0.924 4.861 ( -0.089 0.084 -0.794) 0.803 4.875 ( -3.322 -0.285 -1.232) 3.554 5.122 ( -0.363 -0.226 3.084) 3.113 5.140 ( 3.178 -0.235 3.267) 4.564 5.338 ( -1.619 -0.974 -2.810) 3.386 5.456 ( 7.399 -0.059 -5.147) 9.013 6.017 ( 2.051 0.063 2.240) 3.038 6.106 ( -0.802 -0.727 -0.790) 1.340 ======================= Grid point 194 (74/129) ======================= q-point: (-0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( -4.135 -1.248 0.852) 4.403 0.929 ( -4.499 0.733 0.657) 4.606 0.949 ( -1.671 0.140 2.345) 2.883 1.152 ( -5.042 -2.684 -2.076) 6.077 1.375 ( -3.983 -2.743 -2.677) 5.528 1.454 ( 2.040 -4.693 -3.576) 6.243 1.483 ( -5.948 -1.523 12.770) 14.169 1.646 ( -2.333 0.880 1.537) 2.929 1.672 ( -3.410 1.799 -0.798) 3.937 1.799 ( -0.951 0.060 0.591) 1.122 1.837 ( -6.440 2.656 1.131) 7.058 1.882 ( -6.019 0.140 -0.970) 6.098 2.217 ( -11.018 2.765 3.545) 11.900 2.273 ( -3.463 1.239 0.651) 3.735 2.464 ( -1.280 -0.020 -3.575) 3.797 2.497 ( -17.437 -0.215 -0.923) 17.463 2.680 ( -5.739 0.193 4.194) 7.111 3.009 ( 0.045 0.674 -8.888) 8.913 3.549 ( 2.856 0.430 2.851) 4.058 3.719 ( -1.152 0.321 -3.402) 3.606 3.738 ( 0.226 0.171 0.988) 1.028 3.790 ( -2.620 0.537 -0.005) 2.674 3.849 ( 0.964 -0.210 -2.800) 2.969 3.914 ( 1.045 0.173 -5.749) 5.846 4.139 ( 7.532 0.656 2.702) 8.029 4.203 ( 0.315 -0.626 1.473) 1.631 4.568 ( -3.268 -1.759 9.280) 9.994 4.796 ( -2.171 -0.130 -0.199) 2.184 4.853 ( -0.458 0.350 -0.703) 0.909 4.871 ( -0.053 -0.433 -0.633) 0.769 5.102 ( -2.061 -0.633 3.680) 4.265 5.193 ( 0.909 -1.593 2.110) 2.795 5.308 ( -1.519 -1.731 0.851) 2.455 5.600 ( 7.294 0.465 -7.329) 10.350 6.065 ( 2.838 0.294 1.786) 3.366 6.104 ( 0.340 -1.298 0.790) 1.557 ======================= Grid point 195 (75/129) ======================= q-point: (-0.42 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( -4.270 4.103 1.854) 6.205 0.818 ( -5.895 2.376 0.965) 6.429 0.924 ( -2.059 -0.763 0.897) 2.372 1.064 ( -3.657 0.234 2.124) 4.236 1.285 ( -4.198 -0.687 2.460) 4.914 1.406 ( -7.680 -6.098 12.172) 15.631 1.514 ( 0.076 -5.071 -3.911) 6.405 1.558 ( -5.872 4.424 -1.759) 7.559 1.587 ( -5.715 3.693 -0.130) 6.806 1.646 ( -6.122 1.049 2.038) 6.537 1.758 ( -4.782 -1.228 -0.830) 5.007 1.820 ( 0.138 -1.475 1.910) 2.417 2.026 ( -5.935 0.684 -0.668) 6.012 2.175 ( -7.915 0.589 -1.960) 8.175 2.194 ( -10.319 -0.276 0.673) 10.344 2.341 ( -9.561 0.081 -3.406) 10.150 2.651 ( 1.438 0.198 5.106) 5.308 3.014 ( 1.055 1.227 -9.040) 9.184 3.552 ( -1.591 0.467 1.624) 2.321 3.645 ( -8.066 0.325 -0.348) 8.080 3.664 ( -6.276 1.109 -2.505) 6.848 3.706 ( -4.236 0.318 -2.768) 5.070 3.880 ( 1.794 -0.101 1.307) 2.222 3.976 ( 4.472 0.248 -4.610) 6.427 4.199 ( -0.461 -2.375 3.354) 4.136 4.332 ( 9.337 0.834 -0.444) 9.385 4.544 ( 0.003 -3.402 11.086) 11.597 4.777 ( 0.039 -0.006 0.009) 0.040 4.838 ( -0.601 0.890 -0.273) 1.108 4.870 ( -0.101 0.052 -0.309) 0.329 5.048 ( -3.893 -1.073 4.201) 5.827 5.151 ( -6.705 -5.816 0.273) 8.880 5.331 ( 2.739 -0.119 5.080) 5.772 5.723 ( 5.362 0.931 -9.987) 11.374 6.122 ( 3.303 -0.401 3.426) 4.775 6.140 ( 2.637 -0.210 1.078) 2.857 ======================= Grid point 196 (76/129) ======================= q-point: (-0.33 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.643 ( -0.091 11.075 3.869) 11.731 0.691 ( -4.619 4.283 6.176) 8.822 0.849 ( -4.984 1.456 0.613) 5.228 1.053 ( 1.659 -0.939 3.455) 3.946 1.146 ( -13.597 4.141 12.348) 18.828 1.241 ( -2.597 1.401 4.229) 5.156 1.404 ( -6.089 5.210 -0.762) 8.050 1.467 ( -4.503 -3.228 -0.567) 5.570 1.497 ( -4.687 -3.517 -3.526) 6.839 1.599 ( -0.891 -0.291 2.774) 2.928 1.718 ( -0.373 -2.948 -0.793) 3.076 1.857 ( 2.614 -2.922 2.920) 4.889 1.989 ( 0.696 -1.593 -4.150) 4.499 2.038 ( -3.021 -0.526 -5.586) 6.372 2.076 ( -4.800 -1.436 -0.688) 5.057 2.163 ( -7.686 -0.120 -2.455) 8.070 2.688 ( 2.193 0.297 4.998) 5.466 3.034 ( 1.594 1.553 -9.081) 9.350 3.456 ( -8.546 0.315 0.418) 8.562 3.509 ( -2.713 0.292 0.161) 2.734 3.535 ( -9.087 -0.264 -3.686) 9.809 3.575 ( -6.178 0.269 -3.143) 6.936 3.908 ( 0.989 0.218 2.052) 2.288 4.041 ( 1.640 -0.241 -4.838) 5.114 4.216 ( 0.744 -5.236 12.196) 13.294 4.459 ( 4.043 0.177 5.271) 6.645 4.613 ( 4.338 -3.950 5.395) 7.971 4.788 ( 0.972 0.209 0.045) 0.995 4.825 ( -0.088 1.207 0.270) 1.240 4.862 ( -0.665 0.791 0.098) 1.038 4.951 ( -7.342 -2.214 2.846) 8.180 5.046 ( -5.570 -5.417 2.822) 8.266 5.382 ( 2.090 0.211 5.652) 6.030 5.792 ( 2.288 0.816 -11.355) 11.612 6.186 ( 2.072 0.928 1.623) 2.791 6.203 ( 4.103 -0.553 3.019) 5.124 ======================= Grid point 197 (77/129) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.587 ( 0.000 11.130 4.781) 12.114 0.643 ( 0.000 9.780 12.369) 15.768 0.736 ( 0.000 4.569 -1.335) 4.760 0.946 ( 0.000 5.518 18.629) 19.429 1.123 ( -0.000 -3.479 3.456) 4.904 1.181 ( 0.000 4.001 -7.886) 8.843 1.319 ( 0.000 3.815 4.003) 5.530 1.439 ( -0.000 -4.121 0.028) 4.121 1.448 ( -0.000 -2.424 -0.499) 2.475 1.595 ( -0.000 -0.754 3.276) 3.361 1.743 ( -0.000 -3.325 -1.930) 3.844 1.922 ( -0.000 -1.204 3.236) 3.453 1.984 ( -0.000 -4.021 -1.226) 4.204 2.023 ( -0.000 -1.057 -5.677) 5.775 2.068 ( 0.000 0.114 -2.161) 2.164 2.078 ( -0.000 -2.493 -9.388) 9.713 2.719 ( -0.000 -0.120 3.754) 3.756 3.047 ( 0.000 1.606 -9.477) 9.612 3.363 ( 0.000 0.288 0.263) 0.390 3.366 ( 0.000 0.303 0.149) 0.338 3.491 ( 0.000 0.083 0.359) 0.369 3.518 ( 0.000 0.111 -0.577) 0.588 3.915 ( 0.000 0.290 2.064) 2.084 4.055 ( -0.000 -0.829 -4.178) 4.259 4.264 ( -0.000 -6.242 15.135) 16.372 4.506 ( -0.000 -2.107 8.616) 8.870 4.700 ( -0.000 -5.469 5.299) 7.615 4.817 ( -0.000 -0.824 1.786) 1.967 4.818 ( 0.000 0.137 0.194) 0.238 4.836 ( 0.000 0.132 -0.444) 0.463 4.843 ( 0.000 1.469 0.844) 1.694 5.013 ( -0.000 -3.119 3.494) 4.683 5.402 ( 0.000 0.274 5.688) 5.694 5.809 ( 0.000 0.796 -11.711) 11.738 6.201 ( 0.000 1.447 1.838) 2.339 6.256 ( -0.000 -1.043 1.835) 2.111 ======================= Grid point 204 (78/129) ======================= q-point: (-0.67 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( -1.311 0.000 1.550) 2.030 0.966 ( -0.310 0.000 -1.414) 1.447 1.023 ( -5.233 0.000 5.878) 7.870 1.211 ( -4.644 0.000 -1.052) 4.762 1.372 ( 1.144 -0.000 -2.253) 2.527 1.417 ( -2.269 0.000 -4.711) 5.229 1.624 ( -5.680 0.000 9.748) 11.282 1.717 ( -6.320 0.000 0.772) 6.367 1.726 ( -1.036 0.000 -0.852) 1.341 1.806 ( -0.074 0.000 1.901) 1.902 1.961 ( -2.597 0.000 -0.133) 2.600 1.972 ( -2.960 0.000 -0.347) 2.980 2.332 ( -1.598 0.000 -0.944) 1.856 2.380 ( 1.386 -0.000 -2.736) 3.067 2.463 ( -3.638 0.000 5.586) 6.666 2.815 ( -14.194 0.000 -1.754) 14.302 2.825 ( -7.182 0.000 2.470) 7.595 3.014 ( -0.024 0.000 -8.032) 8.032 3.456 ( 5.798 -0.000 2.434) 6.288 3.670 ( 6.631 -0.000 -6.217) 9.090 3.729 ( 0.445 -0.000 0.723) 0.849 3.797 ( 0.033 -0.000 -1.378) 1.379 3.828 ( -0.189 0.000 -0.174) 0.257 3.938 ( -2.920 0.000 -5.003) 5.793 4.083 ( -0.325 0.000 5.529) 5.538 4.217 ( -2.075 0.000 2.264) 3.071 4.623 ( -2.670 0.000 7.196) 7.675 4.846 ( -0.692 0.000 -0.617) 0.927 4.862 ( 0.296 -0.000 -0.766) 0.821 4.873 ( -3.727 0.000 -1.247) 3.930 5.121 ( -0.432 0.000 3.034) 3.065 5.139 ( 3.120 -0.000 3.179) 4.454 5.333 ( -1.858 0.000 -2.580) 3.179 5.456 ( 7.530 -0.000 -5.094) 9.091 6.018 ( 2.107 -0.000 2.049) 2.939 6.102 ( -0.907 0.000 -0.768) 1.188 ======================= Grid point 206 (79/129) ======================= q-point: (-0.58 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( -3.253 -0.360 0.517) 3.314 0.927 ( -3.752 -0.393 -1.938) 4.242 0.964 ( -0.731 1.381 5.316) 5.541 1.125 ( -4.765 -1.789 -1.084) 5.204 1.357 ( -4.201 -0.598 -3.812) 5.704 1.416 ( 2.222 -2.109 -3.817) 4.895 1.474 ( -7.381 -0.355 13.645) 15.517 1.652 ( -2.045 0.258 2.020) 2.886 1.685 ( -2.896 0.605 -1.336) 3.246 1.799 ( -0.884 -0.017 0.299) 0.933 1.862 ( -6.836 1.922 0.334) 7.109 1.879 ( -6.283 -0.779 -0.376) 6.342 2.237 ( -11.386 0.964 3.398) 11.921 2.281 ( -3.613 0.405 0.556) 3.678 2.464 ( -1.251 -0.013 -3.598) 3.810 2.495 ( -17.506 -0.077 -0.885) 17.528 2.682 ( -5.770 0.073 4.207) 7.142 3.014 ( 0.187 0.245 -8.849) 8.854 3.552 ( 2.885 0.155 2.836) 4.049 3.721 ( -1.028 0.115 -3.346) 3.502 3.739 ( 0.332 0.063 1.045) 1.099 3.794 ( -2.300 0.201 0.013) 2.309 3.847 ( 0.726 -0.073 -2.837) 2.929 3.915 ( 1.108 0.064 -5.753) 5.859 4.144 ( 8.157 0.352 2.273) 8.475 4.198 ( -0.396 -0.336 1.286) 1.387 4.555 ( -3.797 -0.686 10.071) 10.785 4.795 ( -2.153 -0.042 -0.188) 2.162 4.858 ( -0.135 0.453 -0.623) 0.782 4.866 ( -0.159 -0.481 -0.616) 0.797 5.097 ( -2.180 -0.236 3.495) 4.126 5.180 ( -0.351 -0.687 1.538) 1.720 5.297 ( -0.841 -0.489 1.944) 2.173 5.603 ( 7.453 0.151 -7.295) 10.430 6.069 ( 3.101 0.321 1.133) 3.317 6.093 ( 0.159 -0.674 1.106) 1.305 ======================= Grid point 207 (80/129) ======================= q-point: (-0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( -1.004 2.634 -0.782) 2.926 0.832 ( -5.687 0.182 -1.227) 5.821 0.943 ( -1.198 4.420 4.537) 6.446 1.052 ( -2.864 -2.762 4.291) 5.852 1.276 ( -3.709 -1.038 -1.149) 4.019 1.353 ( -7.292 -3.361 15.367) 17.338 1.465 ( 0.581 -3.752 -5.633) 6.793 1.598 ( -4.405 2.847 -0.874) 5.318 1.617 ( -3.379 1.579 0.907) 3.838 1.662 ( -9.408 1.882 0.178) 9.596 1.746 ( -6.149 -0.982 0.011) 6.227 1.809 ( -0.306 -0.748 1.767) 1.943 2.030 ( -7.626 0.116 -0.616) 7.652 2.179 ( -9.524 0.221 -2.466) 9.840 2.192 ( -9.343 -0.154 1.278) 9.431 2.341 ( -9.578 0.031 -3.479) 10.190 2.652 ( 1.476 0.113 5.469) 5.666 3.024 ( 1.172 0.683 -8.817) 8.921 3.556 ( -1.667 0.262 1.655) 2.364 3.648 ( -8.261 0.187 -0.218) 8.266 3.675 ( -6.015 0.810 -2.744) 6.661 3.707 ( -4.620 0.019 -2.484) 5.245 3.879 ( 1.999 -0.014 1.311) 2.391 3.978 ( 4.444 0.161 -4.787) 6.534 4.178 ( -1.992 -1.516 4.234) 4.919 4.341 ( 9.863 0.733 -1.643) 10.025 4.512 ( -0.584 -2.303 13.264) 13.475 4.777 ( 0.119 -0.009 -0.035) 0.124 4.848 ( -0.212 1.105 -0.123) 1.132 4.868 ( 0.112 -0.488 -0.166) 0.527 5.040 ( -3.803 -0.470 3.904) 5.471 5.103 ( -7.353 -3.147 0.565) 8.018 5.330 ( 3.014 -0.035 5.419) 6.201 5.730 ( 5.320 0.449 -9.972) 11.311 6.119 ( 3.018 -0.226 3.516) 4.640 6.139 ( 3.390 -0.072 0.664) 3.455 ======================= Grid point 208 (81/129) ======================= q-point: (-0.42 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( -3.782 1.907 3.249) 5.338 0.751 ( 1.708 8.624 0.100) 8.792 0.867 ( -3.780 2.418 5.754) 7.297 1.051 ( 0.297 0.525 8.740) 8.760 1.162 ( -9.125 -1.491 11.323) 14.618 1.261 ( -0.917 2.302 3.011) 3.900 1.441 ( -5.823 -2.309 -2.930) 6.916 1.456 ( -6.203 2.430 -3.387) 7.473 1.469 ( -5.205 1.379 -0.727) 5.433 1.590 ( -1.790 -1.466 1.493) 2.753 1.688 ( -0.858 -2.534 1.058) 2.876 1.832 ( 2.522 -1.780 2.698) 4.100 1.969 ( 0.264 -1.992 -5.023) 5.410 2.031 ( -4.062 -0.663 -4.234) 5.905 2.064 ( -5.534 -0.860 -1.228) 5.733 2.161 ( -7.862 -0.122 -2.501) 8.251 2.691 ( 2.097 0.176 5.745) 6.118 3.048 ( 1.543 1.052 -8.557) 8.758 3.459 ( -8.588 0.215 0.482) 8.604 3.511 ( -2.935 0.207 0.251) 2.953 3.533 ( -10.217 -0.185 -3.623) 10.842 3.576 ( -5.598 0.019 -2.404) 6.092 3.910 ( 1.134 0.273 2.155) 2.451 4.038 ( 0.997 -0.337 -3.887) 4.027 4.170 ( 0.660 -3.434 14.074) 14.502 4.470 ( 3.879 1.731 5.121) 6.654 4.570 ( 4.028 -4.057 5.398) 7.862 4.790 ( 1.001 0.083 -0.066) 1.007 4.839 ( -0.305 1.329 0.345) 1.407 4.867 ( -0.467 0.140 0.412) 0.638 4.934 ( -7.506 -1.130 1.550) 7.747 5.002 ( -3.307 -3.012 3.286) 5.551 5.384 ( 2.132 0.117 5.907) 6.281 5.798 ( 2.047 0.388 -10.979) 11.175 6.195 ( 2.920 0.495 1.970) 3.557 6.199 ( 3.633 -0.091 2.326) 4.314 ======================= Grid point 209 (82/129) ======================= q-point: (-0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.676 ( 0.000 5.380 5.450) 7.659 0.742 ( 0.000 8.678 10.825) 13.874 0.782 ( 0.000 4.449 -3.406) 5.603 0.994 ( 0.000 2.375 20.953) 21.088 1.109 ( 0.000 1.855 5.588) 5.888 1.227 ( 0.000 4.581 -6.373) 7.849 1.366 ( 0.000 4.959 1.506) 5.183 1.393 ( -0.000 -4.441 -0.044) 4.441 1.418 ( -0.000 -3.172 -1.993) 3.747 1.584 ( -0.000 -1.605 1.788) 2.403 1.705 ( -0.000 -3.536 0.512) 3.573 1.910 ( -0.000 -1.033 3.728) 3.868 1.944 ( -0.000 -3.368 -1.717) 3.781 2.007 ( -0.000 -1.933 -6.111) 6.410 2.048 ( -0.000 -2.707 -9.453) 9.833 2.069 ( 0.000 0.077 -2.275) 2.276 2.718 ( -0.000 -0.118 5.159) 5.160 3.062 ( 0.000 1.121 -8.675) 8.747 3.366 ( 0.000 0.252 0.273) 0.372 3.369 ( 0.000 0.265 0.153) 0.306 3.491 ( 0.000 0.070 0.384) 0.390 3.519 ( 0.000 0.094 -0.562) 0.570 3.919 ( 0.000 0.407 2.273) 2.309 4.045 ( -0.000 -1.018 -1.368) 1.705 4.206 ( -0.000 -4.212 15.979) 16.525 4.500 ( 0.000 0.768 8.679) 8.713 4.646 ( -0.000 -4.761 2.787) 5.517 4.813 ( -0.000 -0.106 1.286) 1.291 4.820 ( 0.000 0.118 0.167) 0.205 4.838 ( 0.000 0.114 -0.469) 0.483 4.858 ( 0.000 1.156 0.938) 1.489 4.985 ( -0.000 -2.028 2.979) 3.603 5.404 ( 0.000 0.201 5.963) 5.966 5.815 ( 0.000 0.326 -11.048) 11.053 6.215 ( 0.000 1.173 1.275) 1.732 6.248 ( -0.000 -0.475 2.210) 2.260 ======================= Grid point 218 (83/129) ======================= q-point: (-0.58 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( 0.043 -0.000 -1.798) 1.799 0.831 ( -5.518 0.000 -1.597) 5.744 0.994 ( 2.968 -0.000 4.960) 5.780 1.012 ( -6.061 0.000 5.395) 8.114 1.269 ( -4.255 0.000 -1.831) 4.633 1.337 ( -6.991 0.000 16.409) 17.836 1.444 ( 0.560 -0.000 -6.182) 6.208 1.614 ( -2.410 0.000 1.349) 2.762 1.624 ( -3.775 0.000 -1.331) 4.003 1.674 ( -10.174 0.000 -0.483) 10.186 1.740 ( -6.923 0.000 0.686) 6.956 1.805 ( -0.395 0.000 1.661) 1.707 2.030 ( -8.292 0.000 -0.591) 8.313 2.180 ( -10.230 0.000 -2.656) 10.570 2.191 ( -8.864 0.000 1.514) 8.992 2.342 ( -9.582 0.000 -3.511) 10.205 2.653 ( 1.486 -0.000 5.601) 5.794 3.028 ( 1.212 -0.000 -8.738) 8.822 3.557 ( -1.693 0.000 1.666) 2.376 3.649 ( -8.343 0.000 -0.167) 8.345 3.679 ( -5.809 0.000 -2.889) 6.488 3.707 ( -4.880 0.000 -2.359) 5.420 3.879 ( 2.082 -0.000 1.312) 2.461 3.979 ( 4.437 -0.000 -4.854) 6.577 4.169 ( -2.586 0.000 4.606) 5.282 4.345 ( 10.250 -0.000 -2.425) 10.533 4.499 ( -0.940 0.000 14.392) 14.423 4.777 ( 0.144 -0.000 -0.045) 0.151 4.858 ( -0.073 0.000 0.111) 0.133 4.861 ( 0.202 -0.000 -0.294) 0.357 5.038 ( -3.577 0.000 3.910) 5.299 5.086 ( -7.688 0.000 0.504) 7.705 5.330 ( 3.083 -0.000 5.521) 6.324 5.732 ( 5.300 -0.000 -9.955) 11.278 6.117 ( 2.923 -0.000 3.548) 4.598 6.139 ( 3.658 -0.000 0.530) 3.696 ======================= Grid point 220 (84/129) ======================= q-point: (-0.50 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( -3.582 0.226 2.052) 4.134 0.811 ( 2.713 2.587 -4.176) 5.612 0.899 ( -4.202 2.672 10.420) 11.548 1.068 ( 1.057 3.076 9.726) 10.256 1.122 ( -6.445 -5.030 12.970) 15.332 1.284 ( 0.820 1.611 2.604) 3.170 1.412 ( -4.831 -2.118 -7.629) 9.275 1.467 ( -8.806 0.915 -0.142) 8.855 1.514 ( -5.620 4.059 -1.225) 7.040 1.567 ( -2.956 -2.749 0.615) 4.083 1.669 ( -0.817 -0.918 2.618) 2.892 1.820 ( 2.374 -0.590 2.446) 3.459 1.952 ( -0.264 -0.992 -5.326) 5.424 2.026 ( -4.956 -0.310 -3.114) 5.862 2.058 ( -5.531 -0.245 -1.858) 5.840 2.160 ( -7.950 -0.048 -2.518) 8.340 2.692 ( 2.034 0.055 6.169) 6.496 3.056 ( 1.493 0.369 -8.274) 8.416 3.461 ( -8.605 0.075 0.510) 8.620 3.513 ( -3.077 0.074 0.293) 3.092 3.531 ( -11.033 -0.070 -3.624) 11.613 3.576 ( -5.051 -0.028 -1.911) 5.400 3.913 ( 1.229 0.130 2.198) 2.521 4.035 ( 0.467 -0.197 -2.450) 2.502 4.146 ( 1.095 -1.091 13.812) 13.898 4.494 ( 4.190 2.802 3.848) 6.341 4.529 ( 3.586 -3.606 6.579) 8.315 4.790 ( 1.007 0.021 -0.087) 1.011 4.852 ( -0.870 1.035 0.348) 1.396 4.865 ( -0.098 -0.534 0.612) 0.819 4.927 ( -7.476 -0.232 0.765) 7.518 4.981 ( -2.075 -1.048 3.535) 4.231 5.384 ( 2.156 0.036 6.048) 6.421 5.801 ( 1.919 0.114 -10.742) 10.913 6.196 ( 4.215 -0.031 3.424) 5.431 6.201 ( 2.567 0.201 0.743) 2.680 ======================= Grid point 221 (85/129) ======================= q-point: (-0.42 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( 0.000 0.864 3.925) 4.019 0.819 ( 0.000 5.420 10.091) 11.455 0.830 ( 0.000 4.163 -3.135) 5.211 0.993 ( -0.000 -1.547 23.602) 23.653 1.152 ( 0.000 4.533 6.310) 7.770 1.276 ( 0.000 4.571 -4.329) 6.296 1.350 ( -0.000 -3.386 -0.270) 3.397 1.382 ( -0.000 -3.545 -4.010) 5.352 1.421 ( 0.000 5.104 -0.838) 5.173 1.558 ( -0.000 -3.225 0.889) 3.346 1.675 ( -0.000 -1.925 2.820) 3.414 1.901 ( -0.000 -0.593 4.104) 4.146 1.916 ( -0.000 -1.892 -1.895) 2.678 1.982 ( -0.000 -2.514 -7.784) 8.180 2.029 ( -0.000 -0.999 -7.554) 7.620 2.070 ( 0.000 0.037 -2.354) 2.354 2.717 ( -0.000 -0.075 6.102) 6.102 3.071 ( 0.000 0.558 -8.166) 8.186 3.368 ( 0.000 0.147 0.280) 0.316 3.372 ( 0.000 0.154 0.156) 0.219 3.492 ( 0.000 0.039 0.402) 0.404 3.519 ( 0.000 0.053 -0.552) 0.554 3.923 ( 0.000 0.321 2.403) 2.424 4.035 ( -0.000 -0.764 2.176) 2.306 4.176 ( -0.000 -1.705 13.258) 13.367 4.517 ( 0.000 2.169 9.506) 9.751 4.599 ( -0.000 -4.038 0.822) 4.121 4.812 ( -0.000 -0.016 1.273) 1.273 4.821 ( 0.000 0.068 0.147) 0.162 4.839 ( 0.000 0.066 -0.488) 0.492 4.867 ( 0.000 0.601 0.925) 1.103 4.970 ( -0.000 -0.970 2.675) 2.846 5.406 ( 0.000 0.096 6.155) 6.156 5.817 ( 0.000 0.114 -10.561) 10.562 6.225 ( 0.000 0.665 0.980) 1.184 6.245 ( -0.000 -0.170 2.455) 2.461 ======================= Grid point 233 (86/129) ======================= q-point: ( 0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( 0.000 0.000 3.583) 3.583 0.849 ( 0.000 0.000 9.927) 9.927 0.855 ( 0.000 0.000 -5.683) 5.683 0.981 ( 0.000 0.000 27.679) 27.679 1.179 ( 0.000 0.000 5.775) 5.775 1.315 ( 0.000 0.000 0.294) 0.294 1.323 ( -0.000 -0.000 -3.007) 3.007 1.356 ( 0.000 0.000 -6.038) 6.038 1.456 ( 0.000 0.000 -2.682) 2.682 1.532 ( 0.000 0.000 1.711) 1.711 1.665 ( 0.000 0.000 3.591) 3.591 1.898 ( 0.000 0.000 4.245) 4.245 1.905 ( 0.000 0.000 -1.879) 1.879 1.966 ( 0.000 0.000 -8.198) 8.198 2.024 ( 0.000 0.000 -6.969) 6.969 2.070 ( 0.000 0.000 -2.382) 2.382 2.716 ( 0.000 0.000 6.428) 6.428 3.073 ( 0.000 0.000 -7.997) 7.997 3.369 ( 0.000 0.000 0.282) 0.282 3.372 ( 0.000 0.000 0.157) 0.157 3.492 ( 0.000 0.000 0.409) 0.409 3.520 ( 0.000 0.000 -0.548) 0.548 3.925 ( 0.000 0.000 2.430) 2.430 4.030 ( 0.000 0.000 3.730) 3.730 4.167 ( 0.000 0.000 11.785) 11.785 4.536 ( -0.000 -0.000 14.137) 14.137 4.570 ( 0.000 0.000 -4.056) 4.056 4.812 ( 0.000 0.000 1.282) 1.282 4.821 ( 0.000 0.000 0.140) 0.140 4.839 ( 0.000 0.000 -0.495) 0.495 4.870 ( 0.000 0.000 0.906) 0.906 4.965 ( 0.000 0.000 2.580) 2.580 5.406 ( 0.000 0.000 6.223) 6.223 5.818 ( 0.000 0.000 -10.388) 10.388 6.228 ( 0.000 0.000 0.875) 0.875 6.244 ( 0.000 0.000 2.560) 2.560 ======================= Grid point 302 (87/129) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.475 ( 0.000 0.000 -11.894) 11.894 0.475 ( 0.000 0.000 11.894) 11.894 0.820 ( 0.000 0.000 -15.426) 15.426 0.820 ( 0.000 0.000 15.426) 15.426 1.103 ( 0.000 0.000 -6.964) 6.964 1.103 ( 0.000 0.000 6.964) 6.964 1.507 ( 0.000 0.000 -0.519) 0.519 1.507 ( 0.000 0.000 0.519) 0.519 1.629 ( 0.000 0.000 -15.589) 15.589 1.629 ( 0.000 0.000 15.589) 15.589 1.756 ( 0.000 0.000 -9.603) 9.603 1.756 ( 0.000 0.000 9.603) 9.603 2.009 ( 0.000 0.000 -2.886) 2.886 2.009 ( 0.000 0.000 2.886) 2.886 2.084 ( 0.000 0.000 -0.539) 0.539 2.084 ( 0.000 0.000 0.539) 0.539 2.786 ( 0.000 0.000 -6.229) 6.229 2.786 ( 0.000 0.000 6.229) 6.229 3.361 ( 0.000 0.000 -0.078) 0.078 3.361 ( 0.000 0.000 0.078) 0.078 3.500 ( 0.000 0.000 -0.653) 0.653 3.500 ( 0.000 0.000 0.653) 0.653 3.969 ( 0.000 0.000 -3.392) 3.392 3.969 ( 0.000 0.000 3.392) 3.392 4.491 ( 0.000 0.000 -5.828) 5.828 4.491 ( 0.000 0.000 5.828) 5.828 4.808 ( 0.000 0.000 -0.655) 0.655 4.808 ( 0.000 0.000 0.655) 0.655 4.824 ( 0.000 0.000 -0.455) 0.455 4.824 ( 0.000 0.000 0.455) 0.455 5.099 ( 0.000 0.000 -5.005) 5.005 5.099 ( 0.000 0.000 5.005) 5.005 5.548 ( 0.000 0.000 -8.222) 8.222 5.548 ( 0.000 0.000 8.222) 8.222 6.255 ( 0.000 0.000 -3.088) 3.088 6.255 ( 0.000 0.000 3.088) 3.088 ======================= Grid point 304 (88/129) ======================= q-point: ( 0.08 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.586 ( 9.601 -1.343 -8.775) 13.076 0.586 ( 9.601 -1.343 8.775) 13.076 0.852 ( 2.905 -1.253 -12.292) 12.692 0.852 ( 2.905 -1.253 12.292) 12.692 1.182 ( 6.742 -0.740 -4.656) 8.227 1.182 ( 6.742 -0.740 4.656) 8.227 1.541 ( 2.756 0.691 -2.072) 3.517 1.541 ( 2.756 0.691 2.072) 3.517 1.682 ( 4.588 0.440 -7.742) 9.010 1.682 ( 4.588 0.440 7.742) 9.010 1.757 ( 2.333 -0.004 -15.142) 15.321 1.757 ( 2.333 -0.004 15.142) 15.321 1.992 ( -2.130 0.712 -0.980) 2.450 1.992 ( -2.130 0.712 0.980) 2.450 2.121 ( 4.778 0.176 -1.747) 5.090 2.121 ( 4.778 0.176 1.747) 5.090 2.771 ( -1.309 -0.664 -6.650) 6.810 2.771 ( -1.309 -0.664 6.650) 6.810 3.457 ( 8.213 -0.198 -1.078) 8.286 3.457 ( 8.213 -0.198 1.078) 8.286 3.526 ( 2.564 -0.079 -0.987) 2.749 3.526 ( 2.564 -0.079 0.987) 2.749 3.961 ( -1.047 0.087 -3.059) 3.234 3.961 ( -1.047 0.087 3.059) 3.234 4.429 ( -5.910 0.236 -4.631) 7.513 4.429 ( -5.910 0.236 4.631) 7.513 4.774 ( -2.580 0.030 -1.545) 3.007 4.774 ( -2.580 0.030 1.545) 3.007 4.816 ( 0.364 -0.306 -0.391) 0.616 4.816 ( 0.364 -0.306 0.391) 0.616 5.167 ( 5.221 1.620 -6.959) 8.849 5.167 ( 5.221 1.620 6.959) 8.849 5.529 ( -2.080 -0.392 -8.356) 8.620 5.529 ( -2.080 -0.392 8.356) 8.620 6.232 ( -2.072 0.225 -1.979) 2.874 6.232 ( -2.072 0.225 1.979) 2.874 ======================= Grid point 306 (89/129) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( 10.768 0.754 -2.971) 11.195 0.801 ( 10.768 0.754 2.971) 11.195 0.934 ( 4.787 -0.939 -3.457) 5.979 0.934 ( 4.787 -0.939 3.457) 5.979 1.331 ( 7.238 -2.625 -3.422) 8.425 1.331 ( 7.238 -2.625 3.422) 8.425 1.591 ( 2.942 1.531 -2.354) 4.067 1.591 ( 2.942 1.531 2.354) 4.067 1.729 ( 2.234 0.415 -4.803) 5.314 1.729 ( 2.234 0.415 4.803) 5.314 1.871 ( 1.606 4.420 -6.624) 8.124 1.871 ( 1.606 4.420 6.624) 8.124 1.995 ( 8.215 -3.339 -7.033) 11.318 1.995 ( 8.215 -3.339 7.033) 11.318 2.253 ( 8.162 -0.155 -3.797) 9.003 2.253 ( 8.162 -0.155 3.797) 9.003 2.757 ( -0.282 -0.811 -7.194) 7.245 2.757 ( -0.282 -0.811 7.194) 7.245 3.580 ( 3.097 -0.362 -2.291) 3.869 3.580 ( 3.097 -0.362 2.291) 3.869 3.633 ( 7.904 -0.531 -0.810) 7.963 3.633 ( 7.904 -0.531 0.810) 7.963 3.916 ( -3.743 0.121 -1.427) 4.008 3.916 ( -3.743 0.121 1.427) 4.008 4.296 ( -6.491 0.273 -1.359) 6.637 4.296 ( -6.491 0.273 1.359) 6.637 4.747 ( -0.224 0.175 -3.452) 3.464 4.747 ( -0.224 0.175 3.452) 3.464 4.832 ( 1.003 -0.262 -0.712) 1.258 4.832 ( 1.003 -0.262 0.712) 1.258 5.237 ( 2.750 2.136 -7.319) 8.105 5.237 ( 2.750 2.136 7.319) 8.105 5.475 ( -3.626 -0.614 -8.200) 8.987 5.475 ( -3.626 -0.614 8.200) 8.987 6.183 ( -2.412 0.606 -0.269) 2.502 6.183 ( -2.412 0.606 0.269) 2.502 ======================= Grid point 308 (90/129) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( 1.753 0.478 -3.240) 3.715 0.917 ( 1.753 0.478 3.240) 3.715 1.093 ( 11.410 2.638 -6.167) 13.236 1.093 ( 11.410 2.638 6.167) 13.236 1.477 ( 5.482 -1.944 -2.598) 6.370 1.477 ( 5.482 -1.944 2.598) 6.370 1.630 ( 2.193 2.887 -0.364) 3.644 1.630 ( 2.193 2.887 0.364) 3.644 1.776 ( 2.032 0.735 -5.663) 6.062 1.776 ( 2.032 0.735 5.663) 6.062 1.828 ( -1.176 -0.350 -1.230) 1.737 1.828 ( -1.176 -0.350 1.230) 1.737 2.209 ( 7.140 -2.727 -3.084) 8.242 2.209 ( 7.140 -2.727 3.084) 8.242 2.441 ( 11.455 -0.044 -3.017) 11.845 2.441 ( 11.455 -0.044 3.017) 11.845 2.782 ( 2.799 -0.468 -6.579) 7.165 2.782 ( 2.799 -0.468 6.579) 7.165 3.614 ( -0.781 -0.447 -4.162) 4.258 3.614 ( -0.781 -0.447 4.162) 4.258 3.757 ( 3.783 -0.321 -1.337) 4.026 3.757 ( 3.783 -0.321 1.337) 4.026 3.830 ( -3.320 -0.040 -1.089) 3.494 3.830 ( -3.320 -0.040 1.089) 3.494 4.206 ( -2.177 0.319 -2.639) 3.436 4.206 ( -2.177 0.319 2.639) 3.436 4.761 ( 1.805 0.323 -4.271) 4.648 4.761 ( 1.805 0.323 4.271) 4.648 4.849 ( 0.395 0.022 -0.746) 0.845 4.849 ( 0.395 0.022 0.746) 0.845 5.253 ( 0.070 1.843 -5.461) 5.764 5.253 ( 0.070 1.843 5.461) 5.764 5.400 ( -4.244 -0.550 -6.690) 7.942 5.400 ( -4.244 -0.550 6.690) 7.942 6.137 ( -1.842 0.974 -1.642) 2.653 6.137 ( -1.842 0.974 1.642) 2.653 ======================= Grid point 310 (91/129) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( -0.646 -0.060 -2.063) 2.163 0.920 ( -0.646 -0.060 2.063) 2.163 1.290 ( 9.949 4.859 -5.111) 12.195 1.290 ( 9.949 4.859 5.111) 12.195 1.500 ( -1.751 5.175 -1.505) 5.666 1.500 ( -1.751 5.175 1.505) 5.666 1.684 ( 3.723 -1.071 -0.500) 3.906 1.684 ( 3.723 -1.071 0.500) 3.906 1.800 ( 1.096 -1.708 -1.107) 2.312 1.800 ( 1.096 -1.708 1.107) 2.312 1.854 ( 1.744 -2.676 -2.895) 4.311 1.854 ( 1.744 -2.676 2.895) 4.311 2.275 ( -0.331 -1.843 -1.586) 2.454 2.275 ( -0.331 -1.843 1.586) 2.454 2.652 ( 8.011 -0.330 -12.269) 14.657 2.652 ( 8.011 -0.330 12.269) 14.657 2.875 ( 6.452 -0.143 -2.875) 7.065 2.875 ( 6.452 -0.143 2.875) 7.065 3.535 ( -6.194 -0.144 -4.871) 7.881 3.535 ( -6.194 -0.144 4.871) 7.881 3.763 ( -0.370 0.209 -1.938) 1.984 3.763 ( -0.370 0.209 1.938) 1.984 3.862 ( 4.019 0.134 -2.344) 4.655 3.862 ( 4.019 0.134 2.344) 4.655 4.198 ( 0.853 0.180 -3.930) 4.026 4.198 ( 0.853 0.180 3.930) 4.026 4.805 ( 1.501 0.401 -5.448) 5.665 4.805 ( 1.501 0.401 5.448) 5.665 4.849 ( 1.018 0.060 -0.415) 1.101 4.849 ( 1.018 0.060 0.415) 1.101 5.225 ( -2.180 1.138 -1.818) 3.058 5.225 ( -2.180 1.138 1.818) 3.058 5.323 ( -3.628 -0.202 -3.057) 4.748 5.323 ( -3.628 -0.202 3.057) 4.748 6.102 ( -1.227 0.997 -2.821) 3.234 6.102 ( -1.227 0.997 2.821) 3.234 ======================= Grid point 312 (92/129) ======================= q-point: ( 0.42 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( -0.786 -0.356 -1.215) 1.490 0.905 ( -0.786 -0.356 1.215) 1.490 1.372 ( -0.361 4.628 -4.125) 6.210 1.372 ( -0.361 4.628 4.125) 6.210 1.467 ( 3.177 3.719 -1.966) 5.272 1.467 ( 3.177 3.719 1.966) 5.272 1.737 ( 1.009 -0.700 -1.030) 1.603 1.737 ( 1.009 -0.700 1.030) 1.603 1.837 ( 1.348 -3.063 -0.995) 3.491 1.837 ( 1.348 -3.063 0.995) 3.491 1.903 ( 1.795 -1.270 -2.537) 3.358 1.903 ( 1.795 -1.270 2.537) 3.358 2.257 ( -1.617 -1.098 -2.768) 3.389 2.257 ( -1.617 -1.098 2.768) 3.389 2.739 ( 1.737 0.051 -12.092) 12.216 2.739 ( 1.737 0.051 12.092) 12.216 2.998 ( 4.905 -0.197 -2.885) 5.694 2.998 ( 4.905 -0.197 2.885) 5.694 3.429 ( -3.956 0.102 -3.928) 5.575 3.429 ( -3.956 0.102 3.928) 5.575 3.759 ( -0.085 0.268 -2.082) 2.101 3.759 ( -0.085 0.268 2.082) 2.101 3.949 ( 4.537 0.358 -2.503) 5.194 3.949 ( 4.537 0.358 2.503) 5.194 4.217 ( 0.762 0.009 -5.562) 5.614 4.217 ( 0.762 0.009 5.562) 5.614 4.779 ( -2.285 0.153 -4.505) 5.053 4.779 ( -2.285 0.153 4.505) 5.053 4.928 ( 5.664 0.024 -2.925) 6.375 4.928 ( 5.664 0.024 2.925) 6.375 5.153 ( -4.655 0.476 -3.194) 5.666 5.153 ( -4.655 0.476 3.194) 5.666 5.269 ( -1.793 0.110 -3.587) 4.012 5.269 ( -1.793 0.110 3.587) 4.012 6.079 ( -0.663 0.615 -3.479) 3.594 6.079 ( -0.663 0.615 3.479) 3.594 ======================= Grid point 314 (93/129) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( 0.000 -0.000 -0.609) 0.609 0.898 ( 0.000 -0.000 0.609) 0.609 1.340 ( 0.000 -0.000 -4.872) 4.872 1.340 ( 0.000 -0.000 4.872) 4.872 1.499 ( 0.000 -0.000 -2.797) 2.797 1.499 ( 0.000 -0.000 2.797) 2.797 1.745 ( 0.000 -0.000 -1.087) 1.087 1.745 ( 0.000 -0.000 1.087) 1.087 1.865 ( 0.000 -0.000 -0.868) 0.868 1.865 ( 0.000 -0.000 0.868) 0.868 1.924 ( 0.000 -0.000 -7.019) 7.019 1.924 ( 0.000 -0.000 7.019) 7.019 2.242 ( 0.000 -0.000 -6.219) 6.219 2.242 ( 0.000 -0.000 6.219) 6.219 2.751 ( 0.000 -0.000 -11.060) 11.060 2.751 ( 0.000 -0.000 11.060) 11.060 3.047 ( 0.000 -0.000 -3.356) 3.356 3.047 ( 0.000 -0.000 3.356) 3.356 3.390 ( 0.000 -0.000 -3.530) 3.530 3.390 ( 0.000 -0.000 3.530) 3.530 3.757 ( 0.000 -0.000 -2.164) 2.164 3.757 ( 0.000 -0.000 2.164) 2.164 4.000 ( 0.000 -0.000 -1.724) 1.724 4.000 ( 0.000 -0.000 1.724) 1.724 4.224 ( 0.000 -0.000 -7.524) 7.524 4.224 ( 0.000 -0.000 7.524) 7.524 4.751 ( 0.000 -0.000 -5.510) 5.510 4.751 ( 0.000 -0.000 5.510) 5.510 5.040 ( 0.000 -0.000 -0.346) 0.346 5.040 ( 0.000 -0.000 0.346) 0.346 5.051 ( -0.000 -0.000 -5.243) 5.243 5.051 ( 0.000 -0.000 5.243) 5.243 5.252 ( 0.000 -0.000 -4.671) 4.671 5.252 ( 0.000 -0.000 4.671) 4.671 6.071 ( 0.000 -0.000 -3.676) 3.676 6.071 ( 0.000 -0.000 3.676) 3.676 ======================= Grid point 330 (94/129) ======================= q-point: ( 0.08 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( 11.240 -0.000 -2.611) 11.539 0.806 ( 11.240 -0.000 2.611) 11.539 0.928 ( 5.438 -0.000 -3.396) 6.411 0.928 ( 5.438 -0.000 3.396) 6.411 1.317 ( 6.995 -0.000 -2.900) 7.572 1.317 ( 6.995 -0.000 2.900) 7.572 1.599 ( 3.097 -0.000 -2.800) 4.175 1.599 ( 3.097 -0.000 2.800) 4.175 1.731 ( 2.112 -0.000 -5.093) 5.513 1.731 ( 2.112 -0.000 5.093) 5.513 1.902 ( 1.233 -0.000 -5.607) 5.741 1.902 ( 1.233 -0.000 5.607) 5.741 1.971 ( 8.140 -0.000 -8.707) 11.919 1.971 ( 8.140 -0.000 8.707) 11.919 2.252 ( 8.209 -0.000 -3.820) 9.055 2.252 ( 8.209 -0.000 3.820) 9.055 2.752 ( -0.137 0.000 -7.039) 7.040 2.752 ( -0.137 0.000 7.039) 7.040 3.578 ( 3.102 -0.000 -2.290) 3.855 3.578 ( 3.102 -0.000 2.290) 3.855 3.630 ( 7.883 -0.000 -0.765) 7.920 3.630 ( 7.883 -0.000 0.765) 7.920 3.916 ( -3.785 0.000 -1.384) 4.030 3.916 ( -3.785 0.000 1.384) 4.030 4.297 ( -6.511 0.000 -1.132) 6.609 4.297 ( -6.511 0.000 1.132) 6.609 4.748 ( -0.201 0.000 -3.376) 3.382 4.748 ( -0.201 0.000 3.376) 3.382 4.830 ( 1.103 -0.000 -0.310) 1.146 4.830 ( 1.103 -0.000 0.310) 1.146 5.249 ( 2.500 -0.000 -7.925) 8.310 5.249 ( 2.500 -0.000 7.925) 8.310 5.471 ( -3.584 0.000 -8.002) 8.768 5.471 ( -3.584 0.000 8.002) 8.768 6.187 ( -2.363 0.000 -0.095) 2.365 6.187 ( -2.363 0.000 0.095) 2.365 ======================= Grid point 332 (95/129) ======================= q-point: ( 0.17 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( 1.437 0.103 -3.599) 3.877 0.919 ( 1.437 0.103 3.599) 3.877 1.116 ( 12.606 1.353 -5.583) 13.853 1.116 ( 12.606 1.353 5.583) 13.853 1.455 ( 6.622 -1.361 -1.851) 7.010 1.455 ( 6.622 -1.361 1.851) 7.010 1.655 ( 2.730 1.424 -0.476) 3.116 1.655 ( 2.730 1.424 0.476) 3.116 1.781 ( 2.601 0.287 -5.457) 6.052 1.781 ( 2.601 0.287 5.457) 6.052 1.826 ( -4.526 -0.013 -1.024) 4.640 1.826 ( -4.526 -0.013 1.024) 4.640 2.187 ( 7.740 -1.162 -3.788) 8.695 2.187 ( 7.740 -1.162 3.788) 8.695 2.441 ( 11.347 -0.014 -3.061) 11.753 2.441 ( 11.347 -0.014 3.061) 11.753 2.778 ( 3.023 -0.168 -6.385) 7.066 2.778 ( 3.023 -0.168 6.385) 7.066 3.610 ( -0.709 -0.168 -4.179) 4.242 3.610 ( -0.709 -0.168 4.179) 4.242 3.755 ( 4.118 -0.118 -1.269) 4.311 3.755 ( 4.118 -0.118 1.269) 4.311 3.829 ( -3.409 -0.013 -0.977) 3.546 3.829 ( -3.409 -0.013 0.977) 3.546 4.209 ( -2.229 0.113 -2.716) 3.515 4.209 ( -2.229 0.113 2.716) 3.515 4.764 ( 1.818 0.119 -4.158) 4.540 4.764 ( 1.818 0.119 4.158) 4.540 4.849 ( 0.481 0.008 -0.517) 0.706 4.849 ( 0.481 0.008 0.517) 0.706 5.267 ( -0.311 0.705 -5.961) 6.011 5.267 ( -0.311 0.705 5.961) 6.011 5.395 ( -4.124 -0.237 -6.151) 7.409 5.395 ( -4.124 -0.237 6.151) 7.409 6.145 ( -1.848 0.368 -1.643) 2.500 6.145 ( -1.848 0.368 1.643) 2.500 ======================= Grid point 334 (96/129) ======================= q-point: ( 0.25 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( -0.823 -0.047 -1.992) 2.156 0.919 ( -0.823 -0.047 1.992) 2.156 1.335 ( 10.306 3.475 -4.840) 11.904 1.335 ( 10.306 3.475 4.840) 11.904 1.542 ( 0.568 2.551 -1.028) 2.808 1.542 ( 0.568 2.551 1.028) 2.808 1.682 ( 1.722 1.029 -0.221) 2.018 1.682 ( 1.722 1.029 0.221) 2.018 1.769 ( -0.943 -3.747 -0.528) 3.900 1.769 ( -0.943 -3.747 0.528) 3.900 1.838 ( 2.675 -0.576 -3.435) 4.391 1.838 ( 2.675 -0.576 3.435) 4.391 2.259 ( 0.114 -1.190 -1.604) 2.001 2.259 ( 0.114 -1.190 1.604) 2.001 2.649 ( 8.117 -0.157 -12.509) 14.912 2.649 ( 8.117 -0.157 12.509) 14.912 2.874 ( 6.481 -0.078 -2.902) 7.101 2.874 ( 6.481 -0.078 2.902) 7.101 3.534 ( -6.011 -0.088 -4.848) 7.723 3.534 ( -6.011 -0.088 4.848) 7.723 3.765 ( -0.304 0.116 -2.008) 2.035 3.765 ( -0.304 0.116 2.008) 2.035 3.863 ( 4.206 0.076 -2.347) 4.817 3.863 ( 4.206 0.076 2.347) 4.817 4.200 ( 0.769 0.104 -3.974) 4.049 4.200 ( 0.769 0.104 3.974) 4.049 4.809 ( 1.447 0.238 -5.364) 5.561 4.809 ( 1.447 0.238 5.364) 5.561 4.849 ( 0.986 0.031 -0.372) 1.055 4.849 ( 0.986 0.031 0.372) 1.055 5.234 ( -2.619 0.675 -1.326) 3.012 5.234 ( -2.619 0.675 1.326) 3.012 5.321 ( -3.407 -0.145 -1.836) 3.873 5.321 ( -3.407 -0.145 1.836) 3.873 6.111 ( -1.379 0.585 -2.909) 3.271 6.111 ( -1.379 0.585 2.909) 3.271 ======================= Grid point 336 (97/129) ======================= q-point: ( 0.33 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( -0.775 -0.229 -1.058) 1.331 0.902 ( -0.775 -0.229 1.058) 1.331 1.422 ( -1.260 4.568 -4.162) 6.307 1.422 ( -1.260 4.568 4.162) 6.307 1.503 ( 0.810 3.035 -1.180) 3.356 1.503 ( 0.810 3.035 1.180) 3.356 1.719 ( 0.563 -2.891 -1.342) 3.236 1.719 ( 0.563 -2.891 1.342) 3.236 1.809 ( 3.164 -1.826 -0.400) 3.675 1.809 ( 3.164 -1.826 0.400) 3.675 1.896 ( 2.518 -0.365 -3.342) 4.201 1.896 ( 2.518 -0.365 3.342) 4.201 2.246 ( -1.206 -0.914 -2.715) 3.108 2.246 ( -1.206 -0.914 2.715) 3.108 2.739 ( 1.826 0.017 -12.392) 12.526 2.739 ( 1.826 0.017 12.392) 12.526 2.996 ( 4.943 -0.128 -2.957) 5.762 2.996 ( 4.943 -0.128 2.957) 5.762 3.430 ( -3.940 0.068 -3.882) 5.531 3.430 ( -3.940 0.068 3.882) 5.531 3.761 ( -0.153 0.189 -2.163) 2.176 3.761 ( -0.153 0.189 2.163) 2.176 3.952 ( 4.508 0.266 -2.478) 5.151 3.952 ( 4.508 0.266 2.478) 5.151 4.217 ( 0.689 0.008 -5.590) 5.632 4.217 ( 0.689 0.008 5.590) 5.632 4.780 ( -2.386 0.114 -4.452) 5.053 4.780 ( -2.386 0.114 4.452) 5.053 4.929 ( 5.583 0.019 -2.936) 6.308 4.929 ( 5.583 0.019 2.936) 6.308 5.158 ( -4.881 0.337 -3.472) 6.000 5.158 ( -4.881 0.337 3.472) 6.000 5.270 ( -1.762 0.086 -4.088) 4.453 5.270 ( -1.762 0.086 4.088) 4.453 6.085 ( -0.942 0.455 -3.565) 3.716 6.085 ( -0.942 0.455 3.565) 3.716 ======================= Grid point 338 (98/129) ======================= q-point: ( 0.42 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( 0.290 -0.025 -0.539) 0.613 0.898 ( 0.290 -0.025 0.539) 0.613 1.350 ( -2.191 1.851 -4.836) 5.623 1.350 ( -2.191 1.851 4.836) 5.623 1.488 ( -2.856 -1.928 -2.867) 4.483 1.488 ( -2.856 -1.928 2.867) 4.483 1.737 ( 0.283 -1.301 -0.708) 1.508 1.737 ( 0.283 -1.301 0.708) 1.508 1.876 ( 2.474 1.732 -0.809) 3.126 1.876 ( 2.474 1.732 0.809) 3.126 1.923 ( 0.373 -0.071 -6.803) 6.814 1.923 ( 0.373 -0.071 6.803) 6.814 2.241 ( 0.618 -0.145 -6.221) 6.253 2.241 ( 0.618 -0.145 6.221) 6.253 2.750 ( -0.145 -0.075 -11.124) 11.125 2.750 ( -0.145 -0.075 11.124) 11.125 3.047 ( 0.149 0.023 -3.368) 3.371 3.047 ( 0.149 0.023 3.368) 3.371 3.390 ( -0.095 -0.008 -3.525) 3.526 3.390 ( -0.095 -0.008 3.525) 3.526 3.757 ( -0.183 -0.007 -2.168) 2.176 3.757 ( -0.183 -0.007 2.168) 2.176 4.000 ( -0.290 0.013 -1.724) 1.748 4.000 ( -0.290 0.013 1.724) 1.748 4.224 ( 0.054 -0.006 -7.521) 7.522 4.224 ( 0.054 -0.006 7.521) 7.522 4.751 ( -0.065 0.003 -5.512) 5.512 4.751 ( -0.065 0.003 5.512) 5.512 5.040 ( 2.039 0.004 -0.891) 2.225 5.040 ( 2.039 0.004 0.891) 2.225 5.051 ( -2.278 -0.013 -5.355) 5.819 5.051 ( -2.278 -0.013 5.355) 5.819 5.252 ( -0.096 0.011 -4.671) 4.672 5.252 ( -0.096 0.011 4.671) 4.672 6.071 ( -0.338 0.002 -3.675) 3.691 6.071 ( -0.338 0.002 3.675) 3.691 ======================= Grid point 340 (99/129) ======================= q-point: (-0.50 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( 0.833 0.412 -1.365) 1.651 0.909 ( 0.833 0.412 1.365) 1.651 1.329 ( -1.664 -3.376 -4.397) 5.788 1.329 ( -1.664 -3.376 4.397) 5.788 1.426 ( -3.968 -3.946 -2.371) 6.078 1.426 ( -3.968 -3.946 2.371) 6.078 1.740 ( -0.685 -0.073 -0.663) 0.956 1.740 ( -0.685 -0.073 0.663) 0.956 1.862 ( -2.175 1.396 -2.390) 3.520 1.862 ( -2.175 1.396 2.390) 3.520 1.925 ( 0.053 2.805 -1.482) 3.173 1.925 ( 0.053 2.805 1.482) 3.173 2.268 ( 2.082 0.957 -2.857) 3.662 2.268 ( 2.082 0.957 2.857) 3.662 2.738 ( -1.580 -0.087 -11.791) 11.897 2.738 ( -1.580 -0.087 11.791) 11.897 3.000 ( -4.863 0.222 -2.802) 5.617 3.000 ( -4.863 0.222 2.802) 5.617 3.428 ( 3.973 -0.113 -3.970) 5.618 3.428 ( 3.973 -0.113 3.970) 5.618 3.756 ( 0.004 -0.280 -1.990) 2.009 3.756 ( 0.004 -0.280 1.990) 2.009 3.945 ( -4.577 -0.350 -2.536) 5.245 3.945 ( -4.577 -0.350 2.536) 5.245 4.217 ( -0.838 -0.006 -5.522) 5.586 4.217 ( -0.838 -0.006 5.522) 5.586 4.777 ( 2.169 -0.151 -4.567) 5.058 4.777 ( 2.169 -0.151 4.567) 5.058 4.928 ( -5.759 -0.023 -2.918) 6.456 4.928 ( -5.759 -0.023 2.918) 6.456 5.148 ( 4.392 -0.495 -2.872) 5.271 5.148 ( 4.392 -0.495 2.872) 5.271 5.268 ( 1.824 -0.101 -2.947) 3.468 5.268 ( 1.824 -0.101 2.947) 3.468 6.073 ( 0.346 -0.608 -3.364) 3.436 6.073 ( 0.346 -0.608 3.364) 3.436 ======================= Grid point 342 (100/129) ======================= q-point: (-0.42 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( 0.281 0.020 -2.175) 2.193 0.921 ( 0.281 0.020 2.175) 2.193 1.239 ( -9.075 -4.614 -5.316) 11.485 1.239 ( -9.075 -4.614 5.316) 11.485 1.442 ( 1.718 -5.555 -1.658) 6.047 1.442 ( 1.718 -5.555 1.658) 6.047 1.697 ( -3.481 1.278 -0.566) 3.752 1.697 ( -3.481 1.278 0.566) 3.752 1.807 ( -2.605 0.106 -2.537) 3.638 1.807 ( -2.605 0.106 2.537) 3.638 1.890 ( -1.685 3.720 -2.180) 4.629 1.890 ( -1.685 3.720 2.180) 4.629 2.295 ( 0.794 1.810 -1.483) 2.471 2.295 ( 0.794 1.810 1.483) 2.471 2.656 ( -7.822 0.481 -11.871) 14.225 2.656 ( -7.822 0.481 11.871) 14.225 2.877 ( -6.413 0.179 -2.842) 7.017 2.877 ( -6.413 0.179 2.842) 7.017 3.537 ( 6.442 0.152 -4.899) 8.094 3.537 ( 6.442 0.152 4.899) 8.094 3.761 ( 0.464 -0.253 -1.835) 1.909 3.761 ( 0.464 -0.253 1.835) 1.909 3.860 ( -3.765 -0.158 -2.343) 4.437 3.860 ( -3.765 -0.158 2.343) 4.437 4.196 ( -0.977 -0.206 -3.855) 3.982 4.196 ( -0.977 -0.206 3.855) 3.982 4.800 ( -1.572 -0.445 -5.595) 5.829 4.800 ( -1.572 -0.445 5.595) 5.829 4.848 ( -1.060 -0.079 -0.436) 1.149 4.848 ( -1.060 -0.079 0.436) 1.149 5.211 ( 1.634 -1.288 -1.892) 2.812 5.211 ( 1.634 -1.288 1.892) 2.812 5.325 ( 3.868 0.181 -3.775) 5.407 5.325 ( 3.868 0.181 3.775) 5.407 6.091 ( 1.035 -1.126 -2.658) 3.066 6.091 ( 1.035 -1.126 2.658) 3.066 ======================= Grid point 344 (101/129) ======================= q-point: (-0.33 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( -2.581 -1.183 -2.774) 3.969 0.908 ( -2.581 -1.183 2.774) 3.969 1.068 ( -9.132 -1.715 -6.594) 11.393 1.068 ( -9.132 -1.715 6.594) 11.393 1.478 ( -2.102 -2.418 -3.021) 4.404 1.478 ( -2.102 -2.418 3.021) 4.404 1.611 ( -3.700 -0.018 -0.722) 3.770 1.611 ( -3.700 -0.018 0.722) 3.770 1.767 ( -1.995 -0.922 -5.730) 6.137 1.767 ( -1.995 -0.922 5.730) 6.137 1.834 ( -2.011 0.922 -1.418) 2.628 1.834 ( -2.011 0.922 1.418) 2.628 2.240 ( -6.517 2.995 -2.154) 7.489 2.240 ( -6.517 2.995 2.154) 7.489 2.441 ( -11.717 0.073 -2.959) 12.085 2.441 ( -11.717 0.073 2.959) 12.085 2.788 ( -2.423 0.661 -6.903) 7.346 2.788 ( -2.423 0.661 6.903) 7.346 3.619 ( 0.900 0.583 -4.135) 4.272 3.619 ( 0.900 0.583 4.135) 4.272 3.761 ( -3.184 0.428 -1.458) 3.528 3.761 ( -3.184 0.428 1.458) 3.528 3.830 ( 3.149 0.071 -1.279) 3.400 3.830 ( 3.149 0.071 1.279) 3.400 4.202 ( 2.080 -0.461 -2.464) 3.257 4.202 ( 2.080 -0.461 2.464) 3.257 4.757 ( -1.785 -0.433 -4.509) 4.869 4.757 ( -1.785 -0.433 4.509) 4.869 4.848 ( -0.244 -0.027 -0.922) 0.954 4.848 ( -0.244 -0.027 0.922) 0.954 5.230 ( -0.706 -2.407 -4.607) 5.245 5.230 ( -0.706 -2.407 4.607) 5.245 5.406 ( 4.428 0.607 -7.264) 8.529 5.406 ( 4.428 0.607 7.264) 8.529 6.125 ( 1.861 -1.260 -1.579) 2.746 6.125 ( 1.861 -1.260 1.579) 2.746 ======================= Grid point 346 (102/129) ======================= q-point: (-0.25 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( -9.269 -0.746 -3.420) 9.908 0.793 ( -9.269 -0.746 3.420) 9.908 0.948 ( -3.494 1.814 -3.986) 5.602 0.948 ( -3.494 1.814 3.986) 5.602 1.367 ( -7.378 3.702 -4.518) 9.410 1.367 ( -7.378 3.702 4.518) 9.410 1.567 ( -2.641 -2.825 -1.074) 4.014 1.567 ( -2.641 -2.825 1.074) 4.014 1.722 ( -2.669 -1.011 -3.865) 4.805 1.722 ( -2.669 -1.011 3.865) 4.805 1.826 ( -1.406 -3.798 -7.704) 8.704 1.826 ( -1.406 -3.798 7.704) 8.704 2.028 ( -9.593 2.731 -5.923) 11.601 2.028 ( -9.593 2.731 5.923) 11.601 2.255 ( -8.076 0.193 -3.744) 8.904 2.255 ( -8.076 0.193 3.744) 8.904 2.768 ( 0.647 1.356 -7.586) 7.733 2.768 ( 0.647 1.356 7.586) 7.733 3.585 ( -3.103 0.596 -2.297) 3.907 3.585 ( -3.103 0.596 2.297) 3.907 3.641 ( -7.957 0.901 -0.915) 8.060 3.641 ( -7.957 0.901 0.915) 8.060 3.914 ( 3.649 -0.185 -1.532) 3.962 3.914 ( 3.649 -0.185 1.532) 3.962 4.292 ( 6.439 -0.485 -1.918) 6.736 4.292 ( 6.439 -0.485 1.918) 6.736 4.744 ( 0.278 -0.312 -3.710) 3.733 4.744 ( 0.278 -0.312 3.710) 3.733 4.836 ( -0.731 0.457 -1.157) 1.442 4.836 ( -0.731 0.457 1.157) 1.442 5.207 ( -3.383 -3.505 -5.829) 7.596 5.207 ( -3.383 -3.505 5.829) 7.596 5.483 ( 3.732 0.895 -8.615) 9.431 5.483 ( 3.732 0.895 8.615) 9.431 6.175 ( 2.579 -0.918 -0.439) 2.773 6.175 ( 2.579 -0.918 0.439) 2.773 ======================= Grid point 348 (103/129) ======================= q-point: (-0.17 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.613 ( -7.492 3.559 -7.486) 11.173 0.613 ( -7.492 3.559 7.486) 11.173 0.877 ( -2.366 3.328 -11.013) 11.746 0.877 ( -2.366 3.328 11.013) 11.746 1.197 ( -7.329 2.249 -4.294) 8.787 1.197 ( -7.329 2.249 4.294) 8.787 1.526 ( -2.822 -2.094 -1.542) 3.837 1.526 ( -2.822 -2.094 1.542) 3.837 1.673 ( -4.027 -1.239 -7.637) 8.722 1.673 ( -4.027 -1.239 7.637) 8.722 1.757 ( -2.149 0.053 -14.985) 15.138 1.757 ( -2.149 0.053 14.985) 15.138 1.978 ( 1.792 -1.884 -1.360) 2.934 1.978 ( 1.792 -1.884 1.360) 2.934 2.118 ( -5.574 -0.475 -1.767) 5.867 2.118 ( -5.574 -0.475 1.767) 5.867 2.784 ( 1.487 1.725 -6.983) 7.345 2.784 ( 1.487 1.725 6.983) 7.345 3.461 ( -8.411 0.498 -1.135) 8.502 3.461 ( -8.411 0.498 1.135) 8.502 3.528 ( -2.641 0.225 -1.033) 2.845 3.528 ( -2.641 0.225 1.033) 2.845 3.960 ( 1.090 -0.172 -2.983) 3.181 3.960 ( 1.090 -0.172 2.983) 3.181 4.424 ( 5.793 -0.631 -4.685) 7.477 4.424 ( 5.793 -0.631 4.685) 7.477 4.774 ( 2.663 -0.146 -1.811) 3.224 4.774 ( 2.663 -0.146 1.811) 3.224 4.822 ( -0.250 0.838 -1.016) 1.340 4.822 ( -0.250 0.838 1.016) 1.340 5.135 ( -5.682 -4.114 -5.636) 8.998 5.135 ( -5.682 -4.114 5.636) 8.998 5.536 ( 2.112 0.940 -8.693) 8.995 5.536 ( 2.112 0.940 8.693) 8.995 6.228 ( 2.173 -0.472 -1.735) 2.820 6.228 ( 2.173 -0.472 1.735) 2.820 ======================= Grid point 350 (104/129) ======================= q-point: (-0.08 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.504 ( 0.000 5.194 -10.406) 11.630 0.504 ( 0.000 5.194 10.406) 11.630 0.835 ( 0.000 2.839 -15.038) 15.304 0.835 ( 0.000 2.839 15.038) 15.304 1.107 ( 0.000 0.930 -6.303) 6.371 1.107 ( 0.000 0.930 6.303) 6.371 1.499 ( -0.000 -1.438 -0.429) 1.500 1.499 ( -0.000 -1.438 0.429) 1.500 1.628 ( -0.000 -0.165 -15.051) 15.052 1.628 ( -0.000 -0.165 15.051) 15.052 1.755 ( -0.000 -0.252 -10.209) 10.212 1.755 ( -0.000 -0.252 10.209) 10.212 2.008 ( -0.000 -0.165 -2.974) 2.978 2.008 ( -0.000 -0.165 2.974) 2.978 2.071 ( -0.000 -2.420 -0.847) 2.564 2.071 ( -0.000 -2.420 0.847) 2.564 2.794 ( 0.000 1.429 -6.472) 6.628 2.794 ( 0.000 1.429 6.472) 6.628 3.362 ( 0.000 0.150 -0.079) 0.170 3.362 ( 0.000 0.150 0.079) 0.170 3.500 ( 0.000 0.065 -0.655) 0.658 3.500 ( 0.000 0.065 0.655) 0.658 3.969 ( -0.000 -0.083 -3.322) 3.323 3.969 ( -0.000 -0.083 3.322) 3.323 4.488 ( -0.000 -0.564 -5.706) 5.734 4.488 ( -0.000 -0.564 5.706) 5.734 4.812 ( 0.000 0.779 -0.900) 1.190 4.812 ( 0.000 0.779 0.900) 1.190 4.824 ( 0.000 0.049 -0.455) 0.457 4.824 ( 0.000 0.049 0.455) 0.457 5.078 ( -0.000 -3.690 -4.819) 6.070 5.078 ( -0.000 -3.690 4.819) 6.070 5.553 ( 0.000 0.747 -8.429) 8.463 5.553 ( 0.000 0.747 8.429) 8.463 6.253 ( -0.000 -0.299 -2.876) 2.892 6.253 ( -0.000 -0.299 2.876) 2.892 ======================= Grid point 356 (105/129) ======================= q-point: ( 0.17 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( -0.872 0.000 -1.967) 2.151 0.919 ( -0.872 0.000 1.967) 2.151 1.355 ( 10.345 -0.000 -4.709) 11.367 1.355 ( 10.345 -0.000 4.709) 11.367 1.554 ( 2.852 -0.000 -0.331) 2.871 1.554 ( 2.852 -0.000 0.331) 2.871 1.696 ( -0.983 0.000 -0.026) 0.983 1.696 ( -0.983 0.000 0.026) 0.983 1.739 ( -0.928 0.000 -0.053) 0.930 1.739 ( -0.928 0.000 0.053) 0.930 1.836 ( 2.850 -0.000 -3.423) 4.454 1.836 ( 2.850 -0.000 3.423) 4.454 2.252 ( 0.301 -0.000 -1.598) 1.626 2.252 ( 0.301 -0.000 1.598) 1.626 2.648 ( 8.150 -0.000 -12.586) 14.995 2.648 ( 8.150 -0.000 12.586) 14.995 2.873 ( 6.491 -0.000 -2.912) 7.115 2.873 ( 6.491 -0.000 2.912) 7.115 3.534 ( -5.943 0.000 -4.839) 7.664 3.534 ( -5.943 0.000 4.839) 7.664 3.765 ( -0.281 0.000 -2.034) 2.053 3.765 ( -0.281 0.000 2.034) 2.053 3.863 ( 4.275 -0.000 -2.348) 4.877 3.863 ( 4.275 -0.000 2.348) 4.877 4.200 ( 0.739 -0.000 -3.988) 4.056 4.200 ( 0.739 -0.000 3.988) 4.056 4.810 ( 1.427 -0.000 -5.339) 5.527 4.810 ( 1.427 -0.000 5.339) 5.527 4.850 ( 0.974 -0.000 -0.349) 1.035 4.850 ( 0.974 -0.000 0.349) 1.035 5.238 ( -2.793 0.000 -0.807) 2.907 5.238 ( -2.793 0.000 0.807) 2.907 5.320 ( -3.311 0.000 -0.565) 3.359 5.320 ( -3.311 0.000 0.565) 3.359 6.114 ( -1.436 0.000 -2.934) 3.267 6.114 ( -1.436 0.000 2.934) 3.267 ======================= Grid point 358 (106/129) ======================= q-point: ( 0.25 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( -0.776 -0.077 -0.951) 1.230 0.901 ( -0.776 -0.077 0.951) 1.230 1.459 ( -0.460 1.994 -4.599) 5.034 1.459 ( -0.460 1.994 4.599) 5.034 1.529 ( -3.260 1.730 -0.558) 3.733 1.529 ( -3.260 1.730 0.558) 3.733 1.686 ( 1.361 -2.400 -0.952) 2.918 1.686 ( 1.361 -2.400 0.952) 2.918 1.799 ( 4.889 -0.294 -0.120) 4.899 1.799 ( 4.889 -0.294 0.120) 4.899 1.893 ( 2.626 -0.083 -3.664) 4.508 1.893 ( 2.626 -0.083 3.664) 4.508 2.239 ( -0.967 -0.362 -2.700) 2.891 2.239 ( -0.967 -0.362 2.700) 2.891 2.739 ( 1.858 0.002 -12.582) 12.718 2.739 ( 1.858 0.002 12.582) 12.718 2.996 ( 4.966 -0.044 -3.000) 5.802 2.996 ( 4.966 -0.044 3.000) 5.802 3.431 ( -3.930 0.023 -3.852) 5.503 3.431 ( -3.930 0.023 3.852) 5.503 3.763 ( -0.191 0.068 -2.210) 2.219 3.763 ( -0.191 0.068 2.210) 2.219 3.954 ( 4.494 0.098 -2.465) 5.126 3.954 ( 4.494 0.098 2.465) 5.126 4.217 ( 0.645 0.003 -5.604) 5.641 4.217 ( 0.645 0.003 5.604) 5.641 4.781 ( -2.444 0.042 -4.423) 5.053 4.781 ( -2.444 0.042 4.423) 5.053 4.929 ( 5.536 0.007 -2.944) 6.270 4.929 ( 5.536 0.007 2.944) 6.270 5.160 ( -5.011 0.121 -3.632) 6.190 5.160 ( -5.011 0.121 3.632) 6.190 5.271 ( -1.742 0.033 -4.361) 4.696 5.271 ( -1.742 0.033 4.361) 4.696 6.088 ( -1.105 0.167 -3.610) 3.779 6.088 ( -1.105 0.167 3.610) 3.779 ======================= Grid point 360 (107/129) ======================= q-point: ( 0.33 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( 0.493 -0.025 -0.360) 0.611 0.898 ( 0.493 -0.025 0.360) 0.611 1.377 ( -3.875 3.141 -4.886) 6.983 1.377 ( -3.875 3.141 4.886) 6.983 1.460 ( -4.813 -3.251 -2.841) 6.466 1.460 ( -4.813 -3.251 2.841) 6.466 1.724 ( 1.156 -0.968 -0.240) 1.527 1.724 ( 1.156 -0.968 0.240) 1.527 1.894 ( 3.324 1.530 -1.504) 3.956 1.894 ( 3.324 1.530 1.504) 3.956 1.922 ( 0.884 -0.164 -6.113) 6.179 1.922 ( 0.884 -0.164 6.113) 6.179 2.239 ( 1.088 -0.151 -6.227) 6.323 2.239 ( 1.088 -0.151 6.227) 6.323 2.749 ( -0.253 -0.075 -11.252) 11.255 2.749 ( -0.253 -0.075 11.252) 11.255 3.048 ( 0.258 0.023 -3.391) 3.401 3.048 ( 0.258 0.023 3.391) 3.401 3.390 ( -0.164 -0.008 -3.514) 3.518 3.390 ( -0.164 -0.008 3.514) 3.518 3.757 ( -0.317 -0.007 -2.176) 2.199 3.757 ( -0.317 -0.007 2.176) 2.199 4.000 ( -0.503 0.013 -1.724) 1.796 4.000 ( -0.503 0.013 1.724) 1.796 4.224 ( 0.094 -0.006 -7.516) 7.517 4.224 ( 0.094 -0.006 7.516) 7.517 4.751 ( -0.112 0.003 -5.515) 5.516 4.751 ( -0.112 0.003 5.515) 5.516 5.040 ( 3.601 0.004 -1.494) 3.899 5.040 ( 3.601 0.004 1.494) 3.899 5.050 ( -4.015 -0.013 -5.583) 6.877 5.050 ( -4.015 -0.013 5.583) 6.877 5.252 ( -0.167 0.011 -4.670) 4.673 5.252 ( -0.167 0.011 4.670) 4.673 6.071 ( -0.586 0.002 -3.675) 3.721 6.071 ( -0.586 0.002 3.675) 3.721 ======================= Grid point 362 (108/129) ======================= q-point: (-0.58 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( 0.922 0.340 -1.476) 1.774 0.913 ( 0.922 0.340 1.476) 1.774 1.302 ( -4.255 -1.708 -4.674) 6.548 1.302 ( -4.255 -1.708 4.674) 6.548 1.387 ( -3.486 -3.271 -2.288) 5.300 1.387 ( -3.486 -3.271 2.288) 5.300 1.738 ( -0.163 -0.148 -0.510) 0.555 1.738 ( -0.163 -0.148 0.510) 0.555 1.870 ( -2.989 0.374 -2.937) 4.208 1.870 ( -2.989 0.374 2.937) 4.208 1.955 ( 1.064 2.476 -0.974) 2.866 1.955 ( 1.064 2.476 0.974) 2.866 2.276 ( 2.470 0.627 -2.947) 3.896 2.276 ( 2.470 0.627 2.947) 3.896 2.737 ( -1.394 -0.089 -11.577) 11.661 2.737 ( -1.394 -0.089 11.577) 11.661 3.003 ( -4.829 0.178 -2.727) 5.548 3.003 ( -4.829 0.178 2.727) 5.548 3.427 ( 3.986 -0.090 -3.998) 5.646 3.427 ( 3.986 -0.090 3.998) 5.646 3.753 ( -0.069 -0.212 -1.912) 1.925 3.753 ( -0.069 -0.212 1.912) 1.925 3.942 ( -4.618 -0.251 -2.568) 5.290 3.942 ( -4.618 -0.251 2.568) 5.290 4.217 ( -0.899 -0.002 -5.482) 5.555 4.217 ( -0.899 -0.002 5.482) 5.555 4.776 ( 2.069 -0.109 -4.623) 5.066 4.776 ( 2.069 -0.109 4.623) 5.066 4.928 ( -5.841 -0.015 -2.917) 6.529 4.928 ( -5.841 -0.015 2.917) 6.529 5.143 ( 4.162 -0.374 -2.590) 4.916 5.143 ( 4.162 -0.374 2.590) 4.916 5.267 ( 1.846 -0.068 -2.302) 2.952 5.267 ( 1.846 -0.068 2.302) 2.952 6.067 ( 0.077 -0.441 -3.250) 3.280 6.067 ( 0.077 -0.441 3.250) 3.280 ======================= Grid point 364 (109/129) ======================= q-point: (-0.50 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( -0.291 -0.050 -2.325) 2.344 0.920 ( -0.291 -0.050 2.325) 2.344 1.196 ( -7.780 -3.426 -5.292) 10.013 1.196 ( -7.780 -3.426 5.292) 10.013 1.388 ( 0.838 -4.476 -1.494) 4.793 1.388 ( 0.838 -4.476 1.494) 4.793 1.708 ( -2.851 0.857 -0.462) 3.013 1.708 ( -2.851 0.857 0.462) 3.013 1.806 ( -3.117 -0.192 -3.151) 4.436 1.806 ( -3.117 -0.192 3.151) 4.436 1.926 ( -2.295 3.039 -1.598) 4.130 1.926 ( -2.295 3.039 1.598) 4.130 2.312 ( 1.113 1.311 -1.295) 2.153 2.312 ( 1.113 1.311 1.295) 2.153 2.661 ( -7.579 0.509 -11.385) 13.686 2.661 ( -7.579 0.509 11.385) 13.686 2.879 ( -6.374 0.165 -2.817) 6.970 2.879 ( -6.374 0.165 2.817) 6.970 3.538 ( 6.687 0.119 -4.923) 8.304 3.538 ( 6.687 0.119 4.923) 8.304 3.758 ( 0.561 -0.230 -1.726) 1.829 3.758 ( 0.561 -0.230 1.726) 1.829 3.859 ( -3.512 -0.139 -2.345) 4.225 3.859 ( -3.512 -0.139 2.345) 4.225 4.194 ( -1.112 -0.177 -3.761) 3.926 4.194 ( -1.112 -0.177 3.761) 3.926 4.796 ( -1.641 -0.368 -5.775) 6.015 4.796 ( -1.641 -0.368 5.775) 6.015 4.847 ( -1.103 -0.078 -0.417) 1.182 4.847 ( -1.103 -0.078 0.417) 1.182 5.199 ( 1.123 -1.109 -1.714) 2.330 5.199 ( 1.123 -1.109 1.714) 2.330 5.326 ( 4.064 0.125 -4.145) 5.806 5.326 ( 4.064 0.125 4.145) 5.806 6.079 ( 0.858 -0.953 -2.435) 2.752 6.079 ( 0.858 -0.953 2.435) 2.752 ======================= Grid point 366 (110/129) ======================= q-point: (-0.42 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( -3.581 -1.665 -2.732) 4.802 0.892 ( -3.581 -1.665 2.732) 4.802 1.060 ( -6.287 0.028 -6.373) 8.953 1.060 ( -6.287 0.028 6.373) 8.953 1.431 ( -0.036 -5.587 -2.769) 6.236 1.431 ( -0.036 -5.587 2.769) 6.236 1.625 ( -4.505 2.026 -0.690) 4.987 1.625 ( -4.505 2.026 0.690) 4.987 1.757 ( -2.343 -0.892 -5.682) 6.211 1.757 ( -2.343 -0.892 5.682) 6.211 1.846 ( -4.078 1.346 -1.296) 4.486 1.846 ( -4.078 1.346 1.296) 4.486 2.269 ( -6.031 2.423 -1.310) 6.630 2.269 ( -6.031 2.423 1.310) 6.630 2.442 ( -12.170 0.090 -2.915) 12.514 2.442 ( -12.170 0.090 2.915) 12.514 2.795 ( -2.007 0.684 -7.255) 7.559 2.795 ( -2.007 0.684 7.255) 7.559 3.625 ( 1.028 0.553 -4.111) 4.274 3.625 ( 1.028 0.553 4.111) 4.274 3.766 ( -2.463 0.408 -1.592) 2.961 3.766 ( -2.463 0.408 1.592) 2.961 3.831 ( 2.929 0.097 -1.491) 3.288 3.831 ( 2.929 0.097 1.491) 3.288 4.197 ( 1.955 -0.493 -2.169) 2.962 4.197 ( 1.955 -0.493 2.169) 2.962 4.752 ( -1.766 -0.422 -4.853) 5.182 4.752 ( -1.766 -0.422 4.853) 5.182 4.848 ( -0.063 -0.022 -0.923) 0.925 4.848 ( -0.063 -0.022 0.923) 0.925 5.204 ( -1.414 -2.345 -3.645) 4.559 5.204 ( -1.414 -2.345 3.645) 4.559 5.412 ( 4.619 0.506 -7.681) 8.977 5.412 ( 4.619 0.506 7.681) 8.977 6.112 ( 1.924 -1.183 -1.399) 2.657 6.112 ( 1.924 -1.183 1.399) 2.657 ======================= Grid point 368 (111/129) ======================= q-point: (-0.33 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( -7.077 -0.316 -3.345) 7.835 0.787 ( -7.077 -0.316 3.345) 7.835 0.973 ( -2.248 2.888 -4.840) 6.067 0.973 ( -2.248 2.888 4.840) 6.067 1.396 ( -5.917 1.009 -5.890) 8.410 1.396 ( -5.917 1.009 5.890) 8.410 1.540 ( -3.301 -1.556 -0.647) 3.706 1.540 ( -3.301 -1.556 0.647) 3.706 1.707 ( -3.453 -1.767 -2.094) 4.408 1.707 ( -3.453 -1.767 2.094) 4.408 1.796 ( -1.297 -1.849 -7.124) 7.474 1.796 ( -1.297 -1.849 7.124) 7.474 2.052 ( -11.207 1.813 -5.306) 12.531 2.052 ( -11.207 1.813 5.306) 12.531 2.257 ( -8.035 0.099 -3.704) 8.848 2.257 ( -8.035 0.099 3.704) 8.848 2.784 ( 1.084 1.495 -8.064) 8.272 2.784 ( 1.084 1.495 8.064) 8.272 3.592 ( -3.127 0.667 -2.324) 3.953 3.592 ( -3.127 0.667 2.324) 3.953 3.651 ( -8.056 0.967 -1.018) 8.178 3.651 ( -8.056 0.967 1.018) 8.178 3.912 ( 3.572 -0.160 -1.644) 3.935 3.912 ( 3.572 -0.160 1.644) 3.935 4.286 ( 6.377 -0.587 -2.629) 6.923 4.286 ( 6.377 -0.587 2.629) 6.923 4.741 ( 0.328 -0.375 -4.181) 4.211 4.741 ( 0.328 -0.375 4.181) 4.211 4.841 ( -0.357 0.551 -1.345) 1.497 4.841 ( -0.357 0.551 1.345) 1.497 5.167 ( -4.137 -3.839 -4.062) 6.953 5.167 ( -4.137 -3.839 4.062) 6.953 5.493 ( 3.858 0.866 -9.016) 9.845 5.493 ( 3.858 0.866 9.016) 9.845 6.165 ( 2.867 -0.876 -0.480) 3.036 6.165 ( 2.867 -0.876 0.480) 3.036 ======================= Grid point 370 (112/129) ======================= q-point: (-0.25 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.656 ( -4.614 4.508 -5.125) 8.239 0.656 ( -4.614 4.508 5.125) 8.239 0.920 ( -1.291 4.703 -9.146) 10.365 0.920 ( -1.291 4.703 9.146) 10.365 1.228 ( -8.029 3.439 -4.206) 9.694 1.228 ( -8.029 3.439 4.206) 9.694 1.497 ( -2.910 -3.289 -0.838) 4.470 1.497 ( -2.910 -3.289 0.838) 4.470 1.656 ( -3.151 -1.929 -6.907) 7.833 1.656 ( -3.151 -1.929 6.907) 7.833 1.759 ( -1.861 0.250 -14.252) 14.375 1.759 ( -1.861 0.250 14.252) 14.375 1.954 ( 0.773 -2.482 -1.654) 3.081 1.954 ( 0.773 -2.482 1.654) 3.081 2.112 ( -6.574 -0.649 -2.010) 6.905 2.112 ( -6.574 -0.649 2.010) 6.905 2.805 ( 1.751 2.168 -7.482) 7.984 2.805 ( 1.751 2.168 7.482) 7.984 3.467 ( -8.711 0.572 -1.196) 8.812 3.467 ( -8.711 0.572 1.196) 8.812 3.531 ( -2.786 0.326 -1.127) 3.023 3.531 ( -2.786 0.326 1.127) 3.023 3.958 ( 1.207 -0.072 -2.841) 3.087 3.958 ( 1.207 -0.072 2.841) 3.087 4.416 ( 5.611 -0.850 -5.023) 7.579 4.416 ( 5.611 -0.850 5.023) 7.579 4.771 ( 2.711 -0.317 -2.391) 3.629 4.771 ( 2.711 -0.317 2.391) 3.629 4.833 ( -0.040 1.142 -1.383) 1.794 4.833 ( -0.040 1.142 1.383) 1.794 5.086 ( -6.259 -5.000 -4.200) 9.045 5.086 ( -6.259 -5.000 4.200) 9.045 5.547 ( 2.160 1.071 -9.080) 9.394 5.547 ( 2.160 1.071 9.080) 9.394 6.223 ( 2.389 -0.364 -1.380) 2.783 6.223 ( 2.389 -0.364 1.380) 2.783 ======================= Grid point 372 (113/129) ======================= q-point: (-0.17 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.574 ( 0.000 7.597 -7.095) 10.395 0.574 ( 0.000 7.597 7.095) 10.395 0.878 ( 0.000 5.128 -14.038) 14.946 0.878 ( 0.000 5.128 14.038) 14.946 1.123 ( 0.000 2.138 -4.489) 4.972 1.123 ( 0.000 2.138 4.489) 4.972 1.477 ( -0.000 -2.798 -0.191) 2.805 1.477 ( -0.000 -2.798 0.191) 2.805 1.625 ( -0.000 -0.509 -13.418) 13.427 1.625 ( -0.000 -0.509 13.418) 13.427 1.752 ( -0.000 -0.306 -11.431) 11.436 1.752 ( -0.000 -0.306 11.431) 11.436 2.005 ( -0.000 -0.283 -3.204) 3.216 2.005 ( -0.000 -0.283 3.204) 3.216 2.035 ( -0.000 -4.185 -1.267) 4.372 2.035 ( -0.000 -4.185 1.267) 4.372 2.814 ( 0.000 2.278 -7.039) 7.398 2.814 ( 0.000 2.278 7.039) 7.398 3.364 ( 0.000 0.262 -0.082) 0.274 3.364 ( 0.000 0.262 0.082) 0.274 3.501 ( 0.000 0.111 -0.660) 0.669 3.501 ( 0.000 0.111 0.660) 0.669 3.968 ( 0.000 0.012 -3.138) 3.138 3.968 ( 0.000 0.012 3.138) 3.138 4.480 ( -0.000 -0.930 -5.561) 5.638 4.480 ( -0.000 -0.930 5.561) 5.638 4.823 ( 0.000 1.160 -1.403) 1.821 4.823 ( 0.000 1.160 1.403) 1.821 4.825 ( 0.000 0.084 -0.454) 0.462 4.825 ( 0.000 0.084 0.454) 0.462 5.027 ( -0.000 -5.617 -5.627) 7.951 5.027 ( -0.000 -5.617 5.627) 7.951 5.563 ( 0.000 1.094 -8.823) 8.891 5.563 ( 0.000 1.094 8.823) 8.891 6.250 ( -0.000 -0.243 -2.389) 2.401 6.250 ( -0.000 -0.243 2.389) 2.401 ======================= Grid point 382 (114/129) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( 0.564 -0.000 -0.219) 0.605 0.897 ( 0.564 -0.000 0.219) 0.605 1.405 ( -4.247 0.000 -6.131) 7.458 1.405 ( -4.247 0.000 6.131) 7.458 1.432 ( -5.737 0.000 -1.104) 5.842 1.432 ( -5.737 0.000 1.104) 5.842 1.718 ( 1.575 -0.000 -0.167) 1.583 1.718 ( 1.575 -0.000 0.167) 1.583 1.903 ( 3.299 -0.000 -2.253) 3.995 1.903 ( 3.299 -0.000 2.253) 3.995 1.921 ( 1.270 -0.000 -5.465) 5.611 1.921 ( 1.270 -0.000 5.465) 5.611 2.239 ( 1.267 -0.000 -6.231) 6.358 2.239 ( 1.267 -0.000 6.231) 6.358 2.749 ( -0.294 0.000 -11.315) 11.319 2.749 ( -0.294 0.000 11.315) 11.319 3.048 ( 0.298 -0.000 -3.402) 3.415 3.048 ( 0.298 -0.000 3.402) 3.415 3.390 ( -0.190 0.000 -3.509) 3.514 3.390 ( -0.190 0.000 3.509) 3.514 3.757 ( -0.366 0.000 -2.180) 2.211 3.757 ( -0.366 0.000 2.180) 2.211 4.000 ( -0.581 0.000 -1.723) 1.819 4.000 ( -0.581 0.000 1.723) 1.819 4.224 ( 0.108 -0.000 -7.514) 7.515 4.224 ( 0.108 -0.000 7.514) 7.515 4.751 ( -0.130 0.000 -5.516) 5.518 4.751 ( -0.130 0.000 5.516) 5.518 5.040 ( 4.200 -0.000 -1.731) 4.543 5.040 ( 4.200 -0.000 1.731) 4.543 5.050 ( -4.678 0.000 -5.700) 7.373 5.050 ( -4.678 0.000 5.700) 7.373 5.252 ( -0.192 0.000 -4.670) 4.674 5.252 ( -0.192 0.000 4.670) 4.674 6.071 ( -0.677 0.000 -3.675) 3.736 6.071 ( -0.677 0.000 3.675) 3.736 ======================= Grid point 384 (115/129) ======================= q-point: (-0.67 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( 1.004 0.133 -1.535) 1.839 0.916 ( 1.004 0.133 1.535) 1.839 1.291 ( -6.626 -0.393 -4.788) 8.184 1.291 ( -6.626 -0.393 4.788) 8.184 1.361 ( -2.265 -1.370 -1.524) 3.054 1.361 ( -2.265 -1.370 1.524) 3.054 1.737 ( 0.138 -0.059 -0.465) 0.488 1.737 ( 0.138 -0.059 0.465) 0.488 1.872 ( -3.244 0.078 -3.020) 4.433 1.872 ( -3.244 0.078 3.020) 4.433 1.973 ( 1.305 0.922 -0.477) 1.668 1.973 ( 1.305 0.922 0.477) 1.668 2.281 ( 2.686 0.216 -3.004) 4.036 2.281 ( 2.686 0.216 3.004) 4.036 2.736 ( -1.265 -0.038 -11.473) 11.543 2.736 ( -1.265 -0.038 11.473) 11.543 3.004 ( -4.810 0.069 -2.681) 5.507 3.004 ( -4.810 0.069 2.681) 5.507 3.426 ( 3.993 -0.034 -4.009) 5.659 3.426 ( 3.993 -0.034 4.009) 5.659 3.752 ( -0.112 -0.079 -1.868) 1.873 3.752 ( -0.112 -0.079 1.868) 1.873 3.940 ( -4.644 -0.091 -2.587) 5.317 3.940 ( -4.644 -0.091 2.587) 5.317 4.217 ( -0.931 -0.000 -5.456) 5.535 4.217 ( -0.931 -0.000 5.456) 5.535 4.775 ( 2.012 -0.040 -4.656) 5.072 4.775 ( 2.012 -0.040 4.656) 5.072 4.928 ( -5.889 -0.005 -2.918) 6.573 4.928 ( -5.889 -0.005 2.918) 6.573 5.141 ( 4.029 -0.139 -2.425) 4.704 5.141 ( 4.029 -0.139 2.425) 4.704 5.267 ( 1.856 -0.024 -1.858) 2.626 5.267 ( 1.856 -0.024 1.858) 2.626 6.064 ( -0.077 -0.160 -3.177) 3.182 6.064 ( -0.077 -0.160 3.177) 3.182 ======================= Grid point 386 (116/129) ======================= q-point: (-0.58 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( -0.895 -0.071 -2.485) 2.642 0.920 ( -0.895 -0.071 2.485) 2.642 1.168 ( -6.499 -1.776 -5.046) 8.418 1.168 ( -6.499 -1.776 5.046) 8.418 1.350 ( -0.047 -2.487 -0.972) 2.670 1.350 ( -0.047 -2.487 0.972) 2.670 1.715 ( -2.433 0.403 -0.274) 2.482 1.715 ( -2.433 0.403 0.274) 2.482 1.804 ( -3.350 -0.150 -3.444) 4.807 1.804 ( -3.350 -0.150 3.444) 4.807 1.952 ( -2.704 1.673 -0.906) 3.306 1.952 ( -2.704 1.673 0.906) 3.306 2.322 ( 1.265 0.654 -1.107) 1.804 2.322 ( 1.265 0.654 1.107) 1.804 2.666 ( -7.364 0.334 -10.971) 13.218 2.666 ( -7.364 0.334 10.971) 13.218 2.880 ( -6.345 0.100 -2.804) 6.938 2.880 ( -6.345 0.100 2.804) 6.938 3.539 ( 6.864 0.063 -4.938) 8.456 3.539 ( 6.864 0.063 4.938) 8.456 3.756 ( 0.634 -0.138 -1.642) 1.765 3.756 ( 0.634 -0.138 1.642) 1.765 3.857 ( -3.329 -0.081 -2.350) 4.075 3.857 ( -3.329 -0.081 2.350) 4.075 4.193 ( -1.217 -0.101 -3.679) 3.877 4.193 ( -1.217 -0.101 3.679) 3.877 4.793 ( -1.687 -0.205 -5.927) 6.166 4.793 ( -1.687 -0.205 5.927) 6.166 4.847 ( -1.136 -0.050 -0.376) 1.198 4.847 ( -1.136 -0.050 0.376) 1.198 5.189 ( 0.760 -0.641 -1.492) 1.793 5.189 ( 0.760 -0.641 1.492) 1.793 5.327 ( 4.189 0.062 -4.314) 6.014 5.327 ( 4.189 0.062 4.314) 6.014 6.071 ( 0.738 -0.541 -2.223) 2.404 6.071 ( 0.738 -0.541 2.223) 2.404 ======================= Grid point 388 (117/129) ======================= q-point: (-0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( -4.050 -1.347 -2.916) 5.170 0.876 ( -4.050 -1.347 2.916) 5.170 1.066 ( -3.838 1.057 -5.426) 6.729 1.066 ( -3.838 1.057 5.426) 6.729 1.373 ( -0.106 -5.001 -2.618) 5.645 1.373 ( -0.106 -5.001 2.618) 5.645 1.645 ( -3.965 1.522 -1.259) 4.430 1.645 ( -3.965 1.522 1.259) 4.430 1.748 ( -2.743 -0.665 -5.661) 6.325 1.748 ( -2.743 -0.665 5.661) 6.325 1.861 ( -5.258 1.248 -0.903) 5.479 1.861 ( -5.258 1.248 0.903) 5.479 2.290 ( -5.617 1.501 -0.662) 5.852 2.290 ( -5.617 1.501 0.662) 5.852 2.443 ( -12.721 0.078 -2.891) 13.046 2.443 ( -12.721 0.078 2.891) 13.046 2.802 ( -1.668 0.514 -7.542) 7.741 2.802 ( -1.668 0.514 7.542) 7.741 3.630 ( 1.137 0.388 -4.097) 4.270 3.630 ( 1.137 0.388 4.097) 4.270 3.769 ( -1.823 0.279 -1.694) 2.504 3.769 ( -1.823 0.279 1.694) 2.504 3.832 ( 2.722 0.093 -1.660) 3.190 3.832 ( 2.722 0.093 1.660) 3.190 4.192 ( 1.832 -0.384 -1.786) 2.587 4.192 ( 1.832 -0.384 1.786) 2.587 4.749 ( -1.754 -0.300 -5.216) 5.511 4.749 ( -1.754 -0.300 5.216) 5.511 4.848 ( 0.107 -0.011 -0.731) 0.739 4.848 ( 0.107 -0.011 0.731) 0.739 5.182 ( -2.011 -1.700 -2.823) 3.860 5.182 ( -2.011 -1.700 2.823) 3.860 5.416 ( 4.770 0.328 -7.945) 9.273 5.416 ( 4.770 0.328 7.945) 9.273 6.101 ( 2.011 -0.819 -1.123) 2.445 6.101 ( 2.011 -0.819 1.123) 2.445 ======================= Grid point 390 (118/129) ======================= q-point: (-0.42 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( -5.006 0.010 -2.746) 5.709 0.786 ( -5.006 0.010 2.746) 5.709 1.009 ( -0.965 3.927 -5.062) 6.479 1.009 ( -0.965 3.927 5.062) 6.479 1.376 ( -3.085 -4.393 -5.874) 7.957 1.376 ( -3.085 -4.393 5.874) 7.957 1.546 ( -4.974 2.478 -1.251) 5.696 1.546 ( -4.974 2.478 1.251) 5.696 1.686 ( -4.441 -2.177 -1.183) 5.086 1.686 ( -4.441 -2.177 1.183) 5.086 1.785 ( -1.423 -0.376 -5.165) 5.371 1.785 ( -1.423 -0.376 5.165) 5.371 2.067 ( -12.584 1.040 -4.999) 13.581 2.067 ( -12.584 1.040 4.999) 13.581 2.257 ( -8.054 -0.024 -3.695) 8.861 2.257 ( -8.054 -0.024 3.695) 8.861 2.799 ( 1.463 1.240 -8.492) 8.706 2.799 ( 1.463 1.240 8.492) 8.706 3.599 ( -3.133 0.585 -2.392) 3.985 3.599 ( -3.133 0.585 2.392) 3.985 3.660 ( -8.229 0.733 -1.058) 8.329 3.660 ( -8.229 0.733 1.058) 8.329 3.911 ( 3.560 -0.079 -1.725) 3.957 3.911 ( 3.560 -0.079 1.725) 3.957 4.280 ( 6.323 -0.540 -3.334) 7.168 4.280 ( 6.323 -0.540 3.334) 7.168 4.737 ( 0.352 -0.338 -4.789) 4.814 4.737 ( 0.352 -0.338 4.789) 4.814 4.847 ( 0.035 0.525 -1.208) 1.317 4.847 ( 0.035 0.525 1.208) 1.317 5.129 ( -4.776 -3.204 -2.477) 6.262 5.129 ( -4.776 -3.204 2.477) 6.262 5.501 ( 3.966 0.654 -9.320) 10.150 5.501 ( 3.966 0.654 9.320) 10.150 6.157 ( 3.208 -0.618 -0.394) 3.291 6.157 ( 3.208 -0.618 0.394) 3.291 ======================= Grid point 392 (119/129) ======================= q-point: (-0.33 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( -2.236 3.894 -2.423) 5.103 0.702 ( -2.236 3.894 2.423) 5.103 0.976 ( -0.048 5.894 -7.777) 9.758 0.976 ( -0.048 5.894 7.777) 9.758 1.264 ( -7.624 2.758 -4.909) 9.478 1.264 ( -7.624 2.758 4.909) 9.478 1.462 ( -3.520 -3.004 -0.388) 4.644 1.462 ( -3.520 -3.004 0.388) 4.644 1.632 ( -2.459 -2.652 -5.508) 6.590 1.632 ( -2.459 -2.652 5.508) 6.590 1.763 ( -1.438 0.608 -12.692) 12.788 1.763 ( -1.438 0.608 12.692) 12.788 1.928 ( -0.887 -2.506 -1.430) 3.018 1.928 ( -0.887 -2.506 1.430) 3.018 2.105 ( -7.328 -0.659 -2.404) 7.740 2.105 ( -7.328 -0.659 2.404) 7.740 2.828 ( 1.987 1.981 -7.969) 8.449 2.828 ( 1.987 1.981 7.969) 8.449 3.473 ( -9.001 0.448 -1.208) 9.092 3.473 ( -9.001 0.448 1.208) 9.092 3.534 ( -2.957 0.333 -1.241) 3.224 3.534 ( -2.957 0.333 1.241) 3.224 3.958 ( 1.399 0.124 -2.674) 3.020 3.958 ( 1.399 0.124 2.674) 3.020 4.407 ( 5.419 -0.864 -5.747) 7.946 4.407 ( 5.419 -0.864 5.747) 7.946 4.767 ( 2.669 -0.437 -3.265) 4.239 4.767 ( 2.669 -0.437 3.265) 4.239 4.845 ( 0.177 1.184 -1.457) 1.886 4.845 ( 0.177 1.184 1.457) 1.886 5.035 ( -6.604 -4.430 -3.557) 8.712 5.035 ( -6.604 -4.430 3.557) 8.712 5.558 ( 2.204 0.906 -9.367) 9.665 5.558 ( 2.204 0.906 9.367) 9.665 6.221 ( 2.680 -0.107 -1.027) 2.872 6.221 ( 2.680 -0.107 1.027) 2.872 ======================= Grid point 394 (120/129) ======================= q-point: (-0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( 0.000 6.957 -3.703) 7.881 0.653 ( 0.000 6.957 3.703) 7.881 0.940 ( 0.000 6.509 -12.814) 14.373 0.940 ( 0.000 6.509 12.814) 14.373 1.154 ( 0.000 3.754 -2.317) 4.412 1.154 ( 0.000 3.754 2.317) 4.412 1.441 ( -0.000 -3.956 -0.146) 3.959 1.441 ( -0.000 -3.956 0.146) 3.959 1.616 ( -0.000 -1.351 -10.657) 10.742 1.616 ( -0.000 -1.351 10.657) 10.742 1.750 ( 0.000 0.100 -12.101) 12.102 1.750 ( 0.000 0.100 12.101) 12.102 1.986 ( -0.000 -4.933 -1.428) 5.136 1.986 ( -0.000 -4.933 1.428) 5.136 2.002 ( -0.000 -0.325 -3.501) 3.516 2.002 ( -0.000 -0.325 3.501) 3.516 2.839 ( 0.000 2.341 -7.631) 7.982 2.839 ( 0.000 2.341 7.631) 7.982 3.368 ( 0.000 0.305 -0.086) 0.317 3.368 ( 0.000 0.305 0.086) 0.317 3.502 ( 0.000 0.126 -0.666) 0.678 3.502 ( 0.000 0.126 0.666) 0.678 3.969 ( 0.000 0.260 -2.909) 2.921 3.969 ( 0.000 0.260 2.909) 2.921 4.470 ( -0.000 -1.056 -5.836) 5.931 4.470 ( -0.000 -1.056 5.836) 5.931 4.826 ( 0.000 0.097 -0.453) 0.463 4.826 ( 0.000 0.097 0.453) 0.463 4.834 ( 0.000 0.991 -1.909) 2.151 4.834 ( 0.000 0.991 1.909) 2.151 4.968 ( -0.000 -5.359 -7.522) 9.235 4.968 ( -0.000 -5.359 7.522) 9.235 5.574 ( 0.000 1.053 -9.137) 9.197 5.574 ( 0.000 1.053 9.137) 9.197 6.249 ( 0.000 0.051 -1.860) 1.861 6.249 ( 0.000 0.051 1.860) 1.861 ======================= Grid point 408 (121/129) ======================= q-point: (-0.67 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( -1.165 0.000 -2.560) 2.812 0.919 ( -1.165 0.000 2.560) 2.812 1.159 ( -5.944 0.000 -4.881) 7.691 1.159 ( -5.944 0.000 4.881) 7.691 1.337 ( -0.416 0.000 -0.440) 0.606 1.337 ( -0.416 0.000 0.440) 0.606 1.717 ( -2.297 0.000 -0.131) 2.300 1.717 ( -2.297 0.000 0.131) 2.300 1.804 ( -3.424 0.000 -3.537) 4.923 1.804 ( -3.424 0.000 3.537) 4.923 1.961 ( -2.834 0.000 -0.369) 2.858 1.961 ( -2.834 0.000 0.369) 2.858 2.326 ( 1.305 -0.000 -1.028) 1.661 2.326 ( 1.305 -0.000 1.028) 1.661 2.668 ( -7.278 0.000 -10.808) 13.030 2.668 ( -7.278 0.000 10.808) 13.030 2.881 ( -6.334 0.000 -2.802) 6.926 2.881 ( -6.334 0.000 2.802) 6.926 3.540 ( 6.929 -0.000 -4.943) 8.511 3.540 ( 6.929 -0.000 4.943) 8.511 3.755 ( 0.662 -0.000 -1.610) 1.741 3.755 ( 0.662 -0.000 1.610) 1.741 3.857 ( -3.262 0.000 -2.352) 4.021 3.857 ( -3.262 0.000 2.352) 4.021 4.192 ( -1.257 0.000 -3.646) 3.857 4.192 ( -1.257 0.000 3.646) 3.857 4.792 ( -1.702 0.000 -5.987) 6.225 4.792 ( -1.702 0.000 5.987) 6.225 4.846 ( -1.149 0.000 -0.353) 1.202 4.846 ( -1.149 0.000 0.353) 1.202 5.186 ( 0.629 -0.000 -1.394) 1.529 5.186 ( 0.629 -0.000 1.394) 1.529 5.328 ( 4.232 -0.000 -4.363) 6.078 5.328 ( 4.232 -0.000 4.363) 6.078 6.069 ( 0.696 -0.000 -2.133) 2.243 6.069 ( 0.696 -0.000 2.133) 2.243 ======================= Grid point 412 (122/129) ======================= q-point: (-0.58 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.866 ( -4.103 -0.496 -2.994) 5.104 0.866 ( -4.103 -0.496 2.994) 5.104 1.077 ( -2.304 0.667 -4.080) 4.733 1.077 ( -2.304 0.667 4.080) 4.733 1.334 ( -0.697 -2.064 -2.285) 3.157 1.334 ( -0.697 -2.064 2.285) 3.157 1.656 ( -3.487 0.520 -1.760) 3.941 1.656 ( -3.487 0.520 1.760) 3.941 1.743 ( -3.014 -0.251 -5.699) 6.452 1.743 ( -3.014 -0.251 5.699) 6.452 1.871 ( -5.764 0.510 -0.367) 5.798 1.871 ( -5.764 0.510 0.367) 5.798 2.301 ( -5.342 0.500 -0.235) 5.370 2.301 ( -5.342 0.500 0.235) 5.370 2.444 ( -13.120 0.032 -2.878) 13.432 2.444 ( -13.120 0.032 2.878) 13.432 2.805 ( -1.481 0.191 -7.699) 7.843 2.805 ( -1.481 0.191 7.699) 7.843 3.633 ( 1.200 0.139 -4.092) 4.267 3.633 ( 1.200 0.139 4.092) 4.267 3.771 ( -1.450 0.097 -1.742) 2.269 3.771 ( -1.450 0.097 1.742) 2.269 3.833 ( 2.600 0.039 -1.747) 3.133 3.833 ( 2.600 0.039 1.747) 3.133 4.190 ( 1.753 -0.146 -1.468) 2.291 4.190 ( 1.753 -0.146 1.468) 2.291 4.746 ( -1.750 -0.108 -5.453) 5.728 4.746 ( -1.750 -0.108 5.453) 5.728 4.848 ( 0.213 -0.003 -0.445) 0.493 4.848 ( 0.213 -0.003 0.445) 0.493 5.170 ( -2.352 -0.621 -2.340) 3.375 5.170 ( -2.352 -0.621 2.340) 3.375 5.419 ( 4.853 0.113 -8.073) 9.420 5.419 ( 4.853 0.113 8.073) 9.420 6.095 ( 2.074 -0.290 -0.877) 2.271 6.095 ( 2.074 -0.290 0.877) 2.271 ======================= Grid point 414 (123/129) ======================= q-point: (-0.50 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( -3.671 0.081 -2.019) 4.191 0.786 ( -3.671 0.081 2.019) 4.191 1.051 ( 0.538 3.694 -3.807) 5.332 1.051 ( 0.538 3.694 3.807) 5.332 1.323 ( -2.537 -4.751 -5.453) 7.664 1.323 ( -2.537 -4.751 5.453) 7.664 1.578 ( -4.299 2.879 -2.262) 5.647 1.578 ( -4.299 2.879 2.262) 5.647 1.663 ( -5.863 -2.060 -1.759) 6.458 1.663 ( -5.863 -2.060 1.759) 6.458 1.784 ( -1.631 0.127 -3.568) 3.925 1.784 ( -1.631 0.127 3.568) 3.925 2.075 ( -13.526 0.453 -4.919) 14.400 2.075 ( -13.526 0.453 4.919) 14.400 2.257 ( -8.088 -0.061 -3.703) 8.896 2.257 ( -8.088 -0.061 3.703) 8.896 2.809 ( 1.711 0.695 -8.781) 8.973 2.809 ( 1.711 0.695 8.781) 8.973 3.604 ( -3.104 0.351 -2.479) 3.988 3.604 ( -3.104 0.351 2.479) 3.988 3.666 ( -8.429 0.362 -1.025) 8.499 3.666 ( -8.429 0.362 1.025) 8.499 3.910 ( 3.594 -0.015 -1.765) 4.004 3.910 ( 3.594 -0.015 1.765) 4.004 4.275 ( 6.286 -0.328 -3.858) 7.383 4.275 ( 6.286 -0.328 3.858) 7.383 4.734 ( 0.352 -0.202 -5.316) 5.331 4.734 ( 0.352 -0.202 5.316) 5.331 4.851 ( 0.352 0.338 -0.737) 0.884 4.851 ( 0.352 0.338 0.737) 0.884 5.102 ( -5.189 -1.819 -1.252) 5.639 5.102 ( -5.189 -1.819 1.252) 5.639 5.506 ( 4.034 0.348 -9.508) 10.334 5.506 ( 4.034 0.348 9.508) 10.334 6.152 ( 3.484 -0.304 -0.242) 3.505 6.152 ( 3.484 -0.304 0.242) 3.505 ======================= Grid point 416 (124/129) ======================= q-point: (-0.42 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( -0.839 2.330 -0.732) 2.583 0.735 ( -0.839 2.330 0.732) 2.583 1.044 ( 0.971 6.801 -7.096) 9.877 1.044 ( 0.971 6.801 7.096) 9.877 1.271 ( -4.659 -1.914 -5.529) 7.480 1.271 ( -4.659 -1.914 5.529) 7.480 1.447 ( -6.103 0.762 -0.987) 6.229 1.447 ( -6.103 0.762 0.987) 6.229 1.601 ( -2.161 -3.260 -4.229) 5.760 1.601 ( -2.161 -3.260 4.229) 5.760 1.771 ( -0.819 0.829 -10.743) 10.806 1.771 ( -0.819 0.829 10.743) 10.806 1.903 ( -2.706 -2.003 -0.769) 3.453 1.903 ( -2.706 -2.003 0.769) 3.453 2.098 ( -7.744 -0.490 -2.762) 8.237 2.098 ( -7.744 -0.490 2.762) 8.237 2.846 ( 2.135 1.348 -8.336) 8.710 2.846 ( 2.135 1.348 8.336) 8.710 3.476 ( -9.219 0.254 -1.174) 9.296 3.476 ( -9.219 0.254 1.174) 9.296 3.537 ( -3.082 0.236 -1.323) 3.362 3.537 ( -3.082 0.236 1.323) 3.362 3.960 ( 1.607 0.218 -2.540) 3.013 3.960 ( 1.607 0.218 2.540) 3.013 4.399 ( 5.253 -0.657 -6.591) 8.454 4.399 ( 5.253 -0.657 6.591) 8.454 4.763 ( 2.552 -0.393 -4.202) 4.932 4.763 ( 2.552 -0.393 4.202) 4.932 4.857 ( 0.360 0.976 -1.210) 1.596 4.857 ( 0.360 0.976 1.210) 1.596 4.995 ( -6.670 -2.998 -3.371) 8.052 4.995 ( -6.670 -2.998 3.371) 8.052 5.566 ( 2.234 0.586 -9.545) 9.820 5.566 ( 2.234 0.586 9.545) 9.820 6.220 ( 2.953 0.054 -0.751) 3.048 6.220 ( 2.953 0.054 0.751) 3.048 ======================= Grid point 418 (125/129) ======================= q-point: (-0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( 0.000 4.546 -1.864) 4.914 0.715 ( 0.000 4.546 1.864) 4.914 1.011 ( 0.000 6.727 -11.816) 13.597 1.011 ( 0.000 6.727 11.816) 13.597 1.202 ( 0.000 5.128 -1.870) 5.458 1.202 ( 0.000 5.128 1.870) 5.458 1.395 ( -0.000 -4.620 -0.337) 4.632 1.395 ( -0.000 -4.620 0.337) 4.632 1.595 ( -0.000 -2.557 -7.391) 7.821 1.595 ( -0.000 -2.557 7.391) 7.821 1.755 ( 0.000 0.845 -11.675) 11.705 1.755 ( 0.000 0.845 11.675) 11.705 1.935 ( -0.000 -4.570 -1.177) 4.719 1.935 ( -0.000 -4.570 1.177) 4.719 1.999 ( -0.000 -0.279 -3.781) 3.791 1.999 ( -0.000 -0.279 3.781) 3.791 2.861 ( 0.000 1.794 -8.067) 8.264 2.861 ( 0.000 1.794 8.067) 8.264 3.371 ( 0.000 0.267 -0.090) 0.282 3.371 ( 0.000 0.267 0.090) 0.282 3.504 ( 0.000 0.106 -0.673) 0.681 3.504 ( 0.000 0.106 0.673) 0.681 3.973 ( 0.000 0.434 -2.720) 2.755 3.973 ( 0.000 0.434 2.720) 2.755 4.459 ( -0.000 -0.945 -6.632) 6.699 4.459 ( -0.000 -0.945 6.632) 6.699 4.827 ( 0.000 0.084 -0.452) 0.460 4.827 ( 0.000 0.084 0.452) 0.460 4.841 ( 0.000 0.262 -2.136) 2.152 4.841 ( 0.000 0.262 2.136) 2.152 4.920 ( -0.000 -3.463 -8.543) 9.218 4.920 ( -0.000 -3.463 8.543) 9.218 5.584 ( 0.000 0.783 -9.326) 9.359 5.584 ( 0.000 0.783 9.326) 9.359 6.251 ( 0.000 0.263 -1.426) 1.450 6.251 ( 0.000 0.263 1.426) 1.450 ======================= Grid point 436 (126/129) ======================= q-point: (-0.58 0.42 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( -3.232 0.000 -1.686) 3.645 0.787 ( -3.232 0.000 1.686) 3.645 1.074 ( 1.516 -0.000 -1.201) 1.934 1.074 ( 1.516 -0.000 1.201) 1.934 1.294 ( -2.939 0.000 -5.320) 6.078 1.294 ( -2.939 0.000 5.320) 6.078 1.596 ( -2.739 0.000 -3.291) 4.282 1.596 ( -2.739 0.000 3.291) 4.282 1.649 ( -7.459 0.000 -2.140) 7.760 1.649 ( -7.459 0.000 2.140) 7.760 1.785 ( -1.725 0.000 -2.986) 3.449 1.785 ( -1.725 0.000 2.986) 3.449 2.077 ( -13.868 0.000 -4.922) 14.715 2.077 ( -13.868 0.000 4.922) 14.715 2.256 ( -8.103 0.000 -3.709) 8.911 2.256 ( -8.103 0.000 3.709) 8.911 2.813 ( 1.796 -0.000 -8.883) 9.062 2.813 ( 1.796 -0.000 8.883) 9.062 3.605 ( -3.082 0.000 -2.521) 3.982 3.605 ( -3.082 0.000 2.521) 3.982 3.668 ( -8.522 0.000 -0.994) 8.579 3.668 ( -8.522 0.000 0.994) 8.579 3.910 ( 3.616 -0.000 -1.777) 4.029 3.910 ( 3.616 -0.000 1.777) 4.029 4.274 ( 6.274 -0.000 -4.053) 7.469 4.274 ( 6.274 -0.000 4.053) 7.469 4.733 ( 0.348 -0.000 -5.525) 5.536 4.733 ( 0.348 -0.000 5.525) 5.536 4.853 ( 0.479 -0.000 -0.154) 0.503 4.853 ( 0.479 -0.000 0.154) 0.503 5.092 ( -5.333 0.000 -0.587) 5.365 5.092 ( -5.333 0.000 0.587) 5.365 5.508 ( 4.057 -0.000 -9.572) 10.396 5.508 ( 4.057 -0.000 9.572) 10.396 6.151 ( 3.589 -0.000 -0.139) 3.592 6.151 ( 3.589 -0.000 0.139) 3.592 ======================= Grid point 440 (127/129) ======================= q-point: (-0.50 0.42 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( -0.274 0.732 -1.132) 1.375 0.751 ( -0.274 0.732 1.132) 1.375 1.111 ( 1.895 5.109 -6.063) 8.152 1.111 ( 1.895 5.109 6.063) 8.152 1.232 ( -2.623 -3.975 -4.503) 6.554 1.232 ( -2.623 -3.975 4.503) 6.554 1.468 ( -8.550 2.084 -1.145) 8.874 1.468 ( -8.550 2.084 1.145) 8.874 1.568 ( -1.640 -2.286 -3.238) 4.290 1.568 ( -1.640 -2.286 3.238) 4.290 1.778 ( -0.193 0.440 -9.310) 9.322 1.778 ( -0.193 0.440 9.310) 9.322 1.888 ( -4.030 -0.825 -0.865) 4.204 1.888 ( -4.030 -0.825 0.865) 4.204 2.095 ( -7.909 -0.181 -2.968) 8.449 2.095 ( -7.909 -0.181 2.968) 8.449 2.855 ( 2.197 0.474 -8.531) 8.822 2.855 ( 2.197 0.474 8.531) 8.822 3.478 ( -9.339 0.079 -1.138) 9.408 3.478 ( -9.339 0.079 1.138) 9.408 3.539 ( -3.134 0.083 -1.358) 3.416 3.539 ( -3.134 0.083 1.358) 3.416 3.962 ( 1.741 0.107 -2.471) 3.025 3.962 ( 1.741 0.107 2.471) 3.025 4.394 ( 5.153 -0.248 -7.145) 8.813 4.394 ( 5.153 -0.248 7.145) 8.813 4.759 ( 2.449 -0.159 -4.818) 5.406 4.759 ( 2.449 -0.159 4.818) 5.406 4.864 ( 0.512 0.414 -0.610) 0.898 4.864 ( 0.512 0.414 0.610) 0.898 4.973 ( -6.664 -1.083 -3.236) 7.487 4.973 ( -6.664 -1.083 3.236) 7.487 5.570 ( 2.247 0.201 -9.630) 9.891 5.570 ( 2.247 0.201 9.630) 9.891 6.221 ( 3.116 0.044 -0.601) 3.173 6.221 ( 3.116 0.044 0.601) 3.173 ======================= Grid point 442 (128/129) ======================= q-point: (-0.42 0.42 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( 0.000 2.016 -2.376) 3.116 0.749 ( 0.000 2.016 2.376) 3.116 1.076 ( 0.000 5.076 -11.522) 12.590 1.076 ( 0.000 5.076 11.522) 12.590 1.255 ( 0.000 4.403 -2.233) 4.937 1.255 ( 0.000 4.403 2.233) 4.937 1.348 ( -0.000 -3.900 -0.255) 3.908 1.348 ( -0.000 -3.900 0.255) 3.908 1.566 ( -0.000 -2.704 -5.038) 5.718 1.566 ( -0.000 -2.705 5.038) 5.718 1.766 ( 0.000 1.097 -11.009) 11.063 1.766 ( 0.000 1.097 11.009) 11.063 1.894 ( -0.000 -3.017 -0.566) 3.070 1.894 ( -0.000 -3.017 0.566) 3.070 1.997 ( -0.000 -0.160 -3.977) 3.980 1.997 ( -0.000 -0.160 3.977) 3.980 2.876 ( 0.000 0.943 -8.309) 8.363 2.876 ( 0.000 0.943 8.309) 8.363 3.373 ( 0.000 0.155 -0.092) 0.181 3.373 ( 0.000 0.155 0.092) 0.181 3.505 ( 0.000 0.060 -0.678) 0.681 3.505 ( 0.000 0.060 0.678) 0.681 3.978 ( 0.000 0.336 -2.612) 2.634 3.978 ( 0.000 0.336 2.612) 2.634 4.451 ( -0.000 -0.573 -7.480) 7.502 4.451 ( -0.000 -0.573 7.480) 7.502 4.827 ( 0.000 0.048 -0.451) 0.454 4.827 ( 0.000 0.048 0.451) 0.454 4.840 ( -0.000 -0.456 -2.721) 2.759 4.840 ( -0.000 -0.456 2.721) 2.759 4.896 ( -0.000 -1.169 -7.165) 7.260 4.896 ( -0.000 -1.169 7.165) 7.260 5.591 ( 0.000 0.409 -9.426) 9.435 5.591 ( 0.000 0.409 9.426) 9.435 6.253 ( 0.000 0.226 -1.148) 1.170 6.253 ( 0.000 0.226 1.148) 1.170 ======================= Grid point 466 (129/129) ======================= q-point: ( 0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 0.00e+00 0.00e+00 2.72e-04 2.72e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( 0.000 0.000 -2.782) 2.782 0.759 ( 0.000 0.000 2.782) 2.782 1.106 ( 0.000 0.000 -11.798) 11.798 1.106 ( 0.000 0.000 11.798) 11.798 1.281 ( 0.000 0.000 -1.892) 1.892 1.281 ( 0.000 0.000 1.892) 1.892 1.325 ( -0.000 -0.000 -0.521) 0.521 1.325 ( -0.000 -0.000 0.521) 0.521 1.549 ( 0.000 0.000 -4.100) 4.100 1.549 ( 0.000 0.000 4.100) 4.100 1.773 ( 0.000 0.000 -10.881) 10.881 1.773 ( 0.000 0.000 10.881) 10.881 1.877 ( 0.000 0.000 -0.182) 0.182 1.877 ( 0.000 0.000 0.182) 0.182 1.996 ( 0.000 0.000 -4.047) 4.047 1.996 ( 0.000 0.000 4.047) 4.047 2.881 ( 0.000 0.000 -8.385) 8.385 2.881 ( 0.000 0.000 8.385) 8.385 3.374 ( 0.000 0.000 -0.093) 0.093 3.374 ( 0.000 0.000 0.093) 0.093 3.505 ( 0.000 0.000 -0.680) 0.680 3.505 ( 0.000 0.000 0.680) 0.680 3.979 ( 0.000 0.000 -2.579) 2.579 3.979 ( 0.000 0.000 2.579) 2.579 4.447 ( 0.000 0.000 -7.833) 7.833 4.447 ( 0.000 0.000 7.833) 7.833 4.827 ( 0.000 0.000 -0.451) 0.451 4.827 ( 0.000 0.000 0.451) 0.451 4.836 ( 0.000 0.000 -3.722) 3.722 4.836 ( 0.000 0.000 3.722) 3.722 4.891 ( 0.000 0.000 -5.938) 5.938 4.891 ( 0.000 0.000 5.938) 5.938 5.593 ( 0.000 0.000 -9.457) 9.457 5.593 ( 0.000 0.000 9.457) 9.457 6.255 ( 0.000 0.000 -1.053) 1.053 6.255 ( 0.000 0.000 1.053) 1.053 =================== 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 3/20736 10.0 38.208 24.737 17.275 0.000 0.000 0.000 3/20736 20.0 12.814 5.319 6.915 0.000 0.000 0.000 3/20736 30.0 8.421 3.025 4.705 0.000 0.000 0.000 3/20736 40.0 6.478 2.153 3.633 0.000 0.000 0.000 3/20736 50.0 5.316 1.685 2.990 0.000 0.000 0.000 3/20736 60.0 4.526 1.391 2.560 0.000 0.000 0.000 3/20736 70.0 3.948 1.189 2.248 0.000 0.000 0.000 3/20736 80.0 3.506 1.041 2.008 0.000 0.000 0.000 3/20736 90.0 3.155 0.928 1.818 0.000 0.000 0.000 3/20736 100.0 2.868 0.837 1.661 0.000 0.000 0.000 3/20736 110.0 2.630 0.763 1.530 0.000 0.000 0.000 3/20736 120.0 2.429 0.701 1.418 0.000 0.000 0.000 3/20736 130.0 2.257 0.649 1.322 0.000 0.000 0.000 3/20736 140.0 2.107 0.604 1.237 0.000 0.000 0.000 3/20736 150.0 1.976 0.565 1.163 0.000 0.000 0.000 3/20736 160.0 1.860 0.531 1.097 0.000 0.000 0.000 3/20736 170.0 1.758 0.500 1.038 0.000 0.000 0.000 3/20736 180.0 1.665 0.473 0.985 0.000 0.000 0.000 3/20736 190.0 1.583 0.449 0.938 0.000 0.000 0.000 3/20736 200.0 1.507 0.427 0.894 0.000 0.000 0.000 3/20736 210.0 1.439 0.407 0.854 0.000 0.000 0.000 3/20736 220.0 1.377 0.389 0.818 0.000 0.000 0.000 3/20736 230.0 1.320 0.373 0.785 0.000 0.000 0.000 3/20736 240.0 1.267 0.358 0.754 0.000 0.000 0.000 3/20736 250.0 1.218 0.344 0.725 0.000 0.000 0.000 3/20736 260.0 1.173 0.331 0.699 0.000 0.000 0.000 3/20736 270.0 1.131 0.319 0.674 0.000 0.000 0.000 3/20736 280.0 1.093 0.307 0.652 0.000 0.000 0.000 3/20736 290.0 1.056 0.297 0.630 0.000 0.000 0.000 3/20736 300.0 1.022 0.287 0.610 0.000 0.000 0.000 3/20736 310.0 0.990 0.278 0.591 0.000 0.000 0.000 3/20736 320.0 0.960 0.270 0.574 0.000 0.000 0.000 3/20736 330.0 0.932 0.262 0.557 0.000 0.000 0.000 3/20736 340.0 0.905 0.254 0.541 0.000 0.000 0.000 3/20736 350.0 0.880 0.247 0.526 0.000 0.000 0.000 3/20736 360.0 0.857 0.240 0.512 0.000 0.000 0.000 3/20736 370.0 0.834 0.234 0.499 0.000 0.000 0.000 3/20736 380.0 0.813 0.228 0.486 0.000 0.000 0.000 3/20736 390.0 0.792 0.222 0.474 0.000 0.000 0.000 3/20736 400.0 0.773 0.216 0.462 0.000 0.000 0.000 3/20736 410.0 0.755 0.211 0.452 0.000 0.000 0.000 3/20736 420.0 0.737 0.206 0.441 0.000 0.000 0.000 3/20736 430.0 0.720 0.202 0.431 0.000 0.000 0.000 3/20736 440.0 0.704 0.197 0.422 0.000 0.000 0.000 3/20736 450.0 0.689 0.193 0.413 0.000 0.000 0.000 3/20736 460.0 0.674 0.189 0.404 0.000 0.000 0.000 3/20736 470.0 0.660 0.185 0.395 0.000 0.000 0.000 3/20736 480.0 0.647 0.181 0.387 0.000 0.000 0.000 3/20736 490.0 0.634 0.177 0.380 0.000 0.000 0.000 3/20736 500.0 0.622 0.174 0.372 0.000 0.000 0.000 3/20736 510.0 0.610 0.170 0.365 0.000 0.000 0.000 3/20736 520.0 0.598 0.167 0.358 0.000 0.000 0.000 3/20736 530.0 0.587 0.164 0.352 0.000 0.000 0.000 3/20736 540.0 0.576 0.161 0.345 0.000 0.000 0.000 3/20736 550.0 0.566 0.158 0.339 0.000 0.000 0.000 3/20736 560.0 0.556 0.155 0.333 0.000 0.000 0.000 3/20736 570.0 0.547 0.152 0.327 0.000 0.000 0.000 3/20736 580.0 0.537 0.150 0.322 0.000 0.000 0.000 3/20736 590.0 0.528 0.147 0.317 0.000 0.000 0.000 3/20736 600.0 0.520 0.145 0.311 0.000 0.000 0.000 3/20736 610.0 0.511 0.143 0.306 0.000 0.000 0.000 3/20736 620.0 0.503 0.140 0.302 0.000 0.000 0.000 3/20736 630.0 0.495 0.138 0.297 0.000 0.000 0.000 3/20736 640.0 0.488 0.136 0.292 0.000 0.000 0.000 3/20736 650.0 0.480 0.134 0.288 0.000 0.000 0.000 3/20736 660.0 0.473 0.132 0.284 0.000 0.000 0.000 3/20736 670.0 0.466 0.130 0.279 0.000 0.000 0.000 3/20736 680.0 0.459 0.128 0.275 0.000 0.000 0.000 3/20736 690.0 0.453 0.126 0.271 0.000 0.000 0.000 3/20736 700.0 0.446 0.124 0.268 0.000 0.000 0.000 3/20736 710.0 0.440 0.123 0.264 0.000 0.000 0.000 3/20736 720.0 0.434 0.121 0.260 0.000 0.000 0.000 3/20736 730.0 0.428 0.119 0.257 0.000 0.000 0.000 3/20736 740.0 0.423 0.118 0.253 0.000 0.000 0.000 3/20736 750.0 0.417 0.116 0.250 0.000 0.000 0.000 3/20736 760.0 0.412 0.115 0.247 0.000 0.000 0.000 3/20736 770.0 0.406 0.113 0.244 0.000 0.000 0.000 3/20736 780.0 0.401 0.112 0.241 0.000 0.000 0.000 3/20736 790.0 0.396 0.110 0.238 0.000 0.000 0.000 3/20736 800.0 0.391 0.109 0.235 0.000 0.000 0.000 3/20736 810.0 0.387 0.108 0.232 0.000 0.000 0.000 3/20736 820.0 0.382 0.106 0.229 0.000 0.000 0.000 3/20736 830.0 0.377 0.105 0.226 0.000 0.000 0.000 3/20736 840.0 0.373 0.104 0.224 0.000 0.000 0.000 3/20736 850.0 0.369 0.103 0.221 0.000 0.000 0.000 3/20736 860.0 0.364 0.101 0.219 0.000 0.000 0.000 3/20736 870.0 0.360 0.100 0.216 0.000 0.000 0.000 3/20736 880.0 0.356 0.099 0.214 0.000 0.000 0.000 3/20736 890.0 0.352 0.098 0.211 0.000 0.000 0.000 3/20736 900.0 0.348 0.097 0.209 0.000 0.000 0.000 3/20736 910.0 0.345 0.096 0.207 0.000 0.000 0.000 3/20736 920.0 0.341 0.095 0.204 0.000 0.000 0.000 3/20736 930.0 0.337 0.094 0.202 0.000 0.000 0.000 3/20736 940.0 0.334 0.093 0.200 0.000 0.000 0.000 3/20736 950.0 0.330 0.092 0.198 0.000 0.000 0.000 3/20736 960.0 0.327 0.091 0.196 0.000 0.000 0.000 3/20736 970.0 0.323 0.090 0.194 0.000 0.000 0.000 3/20736 980.0 0.320 0.089 0.192 0.000 0.000 0.000 3/20736 990.0 0.317 0.088 0.190 0.000 0.000 0.000 3/20736 1000.0 0.314 0.087 0.188 0.000 0.000 0.000 3/20736 Thermal conductivity related properties were written into "kappa-m12124.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:50:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|