# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/a25b4e77-5265-404a-8950-b81fcba8b707/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for RbCuPdSe5 / P2_1/m (11) / materials id 11115](https://mdr.nims.go.jp/datasets/8b31c2f1-e23d-4d57-a56a-8220114b8d33) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-07 23:51:33]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/m (11)Number of symmetry operations in supercell: 32------------------------------ primitive cell ------------------------------Lattice vectors: a 6.222046501226458 0.000000000000000 0.000000000000000 b 0.000000000000000 7.282716690000002 0.000000000000000 c -2.023103600637645 0.000000000000000 8.770988440862757Atomic positions (fractional): *1 Cu 0.11568948798966 0.25000000000000 0.61101438656441 63.546 2 Cu 0.88431051201035 0.75000000000000 0.38898561343559 63.546 *3 Se 0.03803163919082 0.75000000000000 0.65259283155882 78.960 *4 Se 0.68269954165384 0.00949309759016 0.28428787814639 78.960 *5 Se 0.73017422483735 0.25000000000000 0.63320903532572 78.960 6 Se 0.26982577516265 0.75000000000000 0.36679096467428 78.960 7 Se 0.68269954165384 0.49050690240984 0.28428787814639 78.960 *8 Se 0.30735013452130 0.75000000000000 0.11032031558744 78.960 9 Se 0.69264986547870 0.25000000000000 0.88967968441256 78.960 10 Se 0.96196836080918 0.25000000000000 0.34740716844117 78.960 11 Se 0.31730045834616 0.99050690240984 0.71571212185361 78.960 12 Se 0.31730045834616 0.50949309759016 0.71571212185361 78.960 *13 Rb 0.24684092088537 0.25000000000000 0.05061908650164 85.468 14 Rb 0.75315907911463 0.75000000000000 0.94938091349836 85.468 *15 Pd 0.50000000000000 0.50000000000000 0.50000000000000 106.420 16 Pd 0.50000000000000 0.00000000000000 0.50000000000000 106.420-------------------------------- unit cell ---------------------------------Lattice vectors: a 6.222046501226458 0.000000000000000 0.000000000000000 b 0.000000000000000 7.282716690000002 0.000000000000000 c -2.023103600637645 0.000000000000000 8.770988440862757Atomic positions (fractional): *1 Cu 0.11568948798966 0.25000000000000 0.61101438656441 63.546 > 1 2 Cu 0.88431051201035 0.75000000000000 0.38898561343559 63.546 > 2 *3 Se 0.03803163919082 0.75000000000000 0.65259283155882 78.960 > 3 *4 Se 0.68269954165384 0.00949309759016 0.28428787814639 78.960 > 4 *5 Se 0.73017422483735 0.25000000000000 0.63320903532572 78.960 > 5 6 Se 0.26982577516265 0.75000000000000 0.36679096467428 78.960 > 6 7 Se 0.68269954165384 0.49050690240984 0.28428787814639 78.960 > 7 *8 Se 0.30735013452130 0.75000000000000 0.11032031558744 78.960 > 8 9 Se 0.69264986547870 0.25000000000000 0.88967968441256 78.960 > 9 10 Se 0.96196836080918 0.25000000000000 0.34740716844117 78.960 > 10 11 Se 0.31730045834616 0.99050690240984 0.71571212185361 78.960 > 11 12 Se 0.31730045834616 0.50949309759016 0.71571212185361 78.960 > 12 *13 Rb 0.24684092088537 0.25000000000000 0.05061908650164 85.468 > 13 14 Rb 0.75315907911463 0.75000000000000 0.94938091349836 85.468 > 14 *15 Pd 0.50000000000000 0.50000000000000 0.50000000000000 106.420 > 15 16 Pd 0.50000000000000 0.00000000000000 0.50000000000000 106.420 > 16-------------------------------- super cell --------------------------------Lattice vectors: a 12.444093002452917 0.000000000000000 0.000000000000000 b 0.000000000000000 14.565433380000004 0.000000000000000 c -4.046207201275290 0.000000000000000 17.541976881725514Atomic positions (fractional): *1 Cu 0.05784474399483 0.12500000000000 0.30550719328220 63.546 > 1 2 Cu 0.55784474399483 0.12500000000000 0.30550719328220 63.546 > 1 3 Cu 0.05784474399483 0.62500000000000 0.30550719328220 63.546 > 1 4 Cu 0.55784474399483 0.62500000000000 0.30550719328220 63.546 > 1 5 Cu 0.05784474399483 0.12500000000000 0.80550719328220 63.546 > 1 6 Cu 0.55784474399483 0.12500000000000 0.80550719328220 63.546 > 1 7 Cu 0.05784474399483 0.62500000000000 0.80550719328220 63.546 > 1 8 Cu 0.55784474399483 0.62500000000000 0.80550719328220 63.546 > 1 9 Cu 0.44215525600517 0.37500000000000 0.19449280671780 63.546 > 2 10 Cu 0.94215525600517 0.37500000000000 0.19449280671780 63.546 > 2 11 Cu 0.44215525600517 0.87500000000000 0.19449280671780 63.546 > 2 12 Cu 0.94215525600517 0.87500000000000 0.19449280671780 63.546 > 2 13 Cu 0.44215525600517 0.37500000000000 0.69449280671780 63.546 > 2 14 Cu 0.94215525600517 0.37500000000000 0.69449280671780 63.546 > 2 15 Cu 0.44215525600517 0.87500000000000 0.69449280671780 63.546 > 2 16 Cu 0.94215525600517 0.87500000000000 0.69449280671780 63.546 > 2 *17 Se 0.01901581959541 0.37500000000000 0.32629641577941 78.960 > 3 18 Se 0.51901581959541 0.37500000000000 0.32629641577941 78.960 > 3 19 Se 0.01901581959541 0.87500000000000 0.32629641577941 78.960 > 3 20 Se 0.51901581959541 0.87500000000000 0.32629641577941 78.960 > 3 21 Se 0.01901581959541 0.37500000000000 0.82629641577941 78.960 > 3 22 Se 0.51901581959541 0.37500000000000 0.82629641577941 78.960 > 3 23 Se 0.01901581959541 0.87500000000000 0.82629641577941 78.960 > 3 24 Se 0.51901581959541 0.87500000000000 0.82629641577941 78.960 > 3 *25 Se 0.34134977082692 0.00474654879508 0.14214393907319 78.960 > 4 26 Se 0.84134977082692 0.00474654879508 0.14214393907319 78.960 > 4 27 Se 0.34134977082692 0.50474654879508 0.14214393907319 78.960 > 4 28 Se 0.84134977082692 0.50474654879508 0.14214393907319 78.960 > 4 29 Se 0.34134977082692 0.00474654879508 0.64214393907319 78.960 > 4 30 Se 0.84134977082692 0.00474654879508 0.64214393907319 78.960 > 4 31 Se 0.34134977082692 0.50474654879508 0.64214393907319 78.960 > 4 32 Se 0.84134977082692 0.50474654879508 0.64214393907319 78.960 > 4 *33 Se 0.36508711241867 0.12500000000000 0.31660451766286 78.960 > 5 34 Se 0.86508711241867 0.12500000000000 0.31660451766286 78.960 > 5 35 Se 0.36508711241867 0.62500000000000 0.31660451766286 78.960 > 5 36 Se 0.86508711241867 0.62500000000000 0.31660451766286 78.960 > 5 37 Se 0.36508711241867 0.12500000000000 0.81660451766286 78.960 > 5 38 Se 0.86508711241867 0.12500000000000 0.81660451766286 78.960 > 5 39 Se 0.36508711241867 0.62500000000000 0.81660451766286 78.960 > 5 40 Se 0.86508711241867 0.62500000000000 0.81660451766286 78.960 > 5 41 Se 0.13491288758133 0.37500000000000 0.18339548233714 78.960 > 6 42 Se 0.63491288758133 0.37500000000000 0.18339548233714 78.960 > 6 43 Se 0.13491288758133 0.87500000000000 0.18339548233714 78.960 > 6 44 Se 0.63491288758133 0.87500000000000 0.18339548233714 78.960 > 6 45 Se 0.13491288758133 0.37500000000000 0.68339548233714 78.960 > 6 46 Se 0.63491288758133 0.37500000000000 0.68339548233714 78.960 > 6 47 Se 0.13491288758133 0.87500000000000 0.68339548233714 78.960 > 6 48 Se 0.63491288758133 0.87500000000000 0.68339548233714 78.960 > 6 49 Se 0.34134977082692 0.24525345120492 0.14214393907319 78.960 > 7 50 Se 0.84134977082692 0.24525345120492 0.14214393907319 78.960 > 7 51 Se 0.34134977082692 0.74525345120492 0.14214393907319 78.960 > 7 52 Se 0.84134977082692 0.74525345120492 0.14214393907319 78.960 > 7 53 Se 0.34134977082692 0.24525345120492 0.64214393907319 78.960 > 7 54 Se 0.84134977082692 0.24525345120492 0.64214393907319 78.960 > 7 55 Se 0.34134977082692 0.74525345120492 0.64214393907319 78.960 > 7 56 Se 0.84134977082692 0.74525345120492 0.64214393907319 78.960 > 7 *57 Se 0.15367506726065 0.37500000000000 0.05516015779372 78.960 > 8 58 Se 0.65367506726065 0.37500000000000 0.05516015779372 78.960 > 8 59 Se 0.15367506726065 0.87500000000000 0.05516015779372 78.960 > 8 60 Se 0.65367506726065 0.87500000000000 0.05516015779372 78.960 > 8 61 Se 0.15367506726065 0.37500000000000 0.55516015779372 78.960 > 8 62 Se 0.65367506726065 0.37500000000000 0.55516015779372 78.960 > 8 63 Se 0.15367506726065 0.87500000000000 0.55516015779372 78.960 > 8 64 Se 0.65367506726065 0.87500000000000 0.55516015779372 78.960 > 8 65 Se 0.34632493273935 0.12500000000000 0.44483984220628 78.960 > 9 66 Se 0.84632493273935 0.12500000000000 0.44483984220628 78.960 > 9 67 Se 0.34632493273935 0.62500000000000 0.44483984220628 78.960 > 9 68 Se 0.84632493273935 0.62500000000000 0.44483984220628 78.960 > 9 69 Se 0.34632493273935 0.12500000000000 0.94483984220628 78.960 > 9 70 Se 0.84632493273935 0.12500000000000 0.94483984220628 78.960 > 9 71 Se 0.34632493273935 0.62500000000000 0.94483984220628 78.960 > 9 72 Se 0.84632493273935 0.62500000000000 0.94483984220628 78.960 > 9 73 Se 0.48098418040459 0.12500000000000 0.17370358422059 78.960 > 10 74 Se 0.98098418040459 0.12500000000000 0.17370358422059 78.960 > 10 75 Se 0.48098418040459 0.62500000000000 0.17370358422059 78.960 > 10 76 Se 0.98098418040459 0.62500000000000 0.17370358422059 78.960 > 10 77 Se 0.48098418040459 0.12500000000000 0.67370358422059 78.960 > 10 78 Se 0.98098418040459 0.12500000000000 0.67370358422059 78.960 > 10 79 Se 0.48098418040459 0.62500000000000 0.67370358422059 78.960 > 10 80 Se 0.98098418040459 0.62500000000000 0.67370358422059 78.960 > 10 81 Se 0.15865022917308 0.49525345120492 0.35785606092681 78.960 > 11 82 Se 0.65865022917308 0.49525345120492 0.35785606092681 78.960 > 11 83 Se 0.15865022917308 0.99525345120492 0.35785606092681 78.960 > 11 84 Se 0.65865022917308 0.99525345120492 0.35785606092681 78.960 > 11 85 Se 0.15865022917308 0.49525345120492 0.85785606092681 78.960 > 11 86 Se 0.65865022917308 0.49525345120492 0.85785606092681 78.960 > 11 87 Se 0.15865022917308 0.99525345120492 0.85785606092681 78.960 > 11 88 Se 0.65865022917308 0.99525345120492 0.85785606092681 78.960 > 11 89 Se 0.15865022917308 0.25474654879508 0.35785606092681 78.960 > 12 90 Se 0.65865022917308 0.25474654879508 0.35785606092681 78.960 > 12 91 Se 0.15865022917308 0.75474654879508 0.35785606092681 78.960 > 12 92 Se 0.65865022917308 0.75474654879508 0.35785606092681 78.960 > 12 93 Se 0.15865022917308 0.25474654879508 0.85785606092681 78.960 > 12 94 Se 0.65865022917308 0.25474654879508 0.85785606092681 78.960 > 12 95 Se 0.15865022917308 0.75474654879508 0.85785606092681 78.960 > 12 96 Se 0.65865022917308 0.75474654879508 0.85785606092681 78.960 > 12 *97 Rb 0.12342046044269 0.12500000000000 0.02530954325082 85.468 > 13 98 Rb 0.62342046044269 0.12500000000000 0.02530954325082 85.468 > 13 99 Rb 0.12342046044269 0.62500000000000 0.02530954325082 85.468 > 13 100 Rb 0.62342046044269 0.62500000000000 0.02530954325082 85.468 > 13 101 Rb 0.12342046044269 0.12500000000000 0.52530954325082 85.468 > 13 102 Rb 0.62342046044269 0.12500000000000 0.52530954325082 85.468 > 13 103 Rb 0.12342046044269 0.62500000000000 0.52530954325082 85.468 > 13 104 Rb 0.62342046044269 0.62500000000000 0.52530954325082 85.468 > 13 105 Rb 0.37657953955731 0.37500000000000 0.47469045674918 85.468 > 14 106 Rb 0.87657953955731 0.37500000000000 0.47469045674918 85.468 > 14 107 Rb 0.37657953955731 0.87500000000000 0.47469045674918 85.468 > 14 108 Rb 0.87657953955731 0.87500000000000 0.47469045674918 85.468 > 14 109 Rb 0.37657953955731 0.37500000000000 0.97469045674918 85.468 > 14 110 Rb 0.87657953955731 0.37500000000000 0.97469045674918 85.468 > 14 111 Rb 0.37657953955731 0.87500000000000 0.97469045674918 85.468 > 14 112 Rb 0.87657953955731 0.87500000000000 0.97469045674918 85.468 > 14 *113 Pd 0.25000000000000 0.25000000000000 0.25000000000000 106.420 > 15 114 Pd 0.75000000000000 0.25000000000000 0.25000000000000 106.420 > 15 115 Pd 0.25000000000000 0.75000000000000 0.25000000000000 106.420 > 15 116 Pd 0.75000000000000 0.75000000000000 0.25000000000000 106.420 > 15 117 Pd 0.25000000000000 0.25000000000000 0.75000000000000 106.420 > 15 118 Pd 0.75000000000000 0.25000000000000 0.75000000000000 106.420 > 15 119 Pd 0.25000000000000 0.75000000000000 0.75000000000000 106.420 > 15 120 Pd 0.75000000000000 0.75000000000000 0.75000000000000 106.420 > 15 121 Pd 0.25000000000000 0.00000000000000 0.25000000000000 106.420 > 16 122 Pd 0.75000000000000 0.00000000000000 0.25000000000000 106.420 > 16 123 Pd 0.25000000000000 0.50000000000000 0.25000000000000 106.420 > 16 124 Pd 0.75000000000000 0.50000000000000 0.25000000000000 106.420 > 16 125 Pd 0.25000000000000 0.00000000000000 0.75000000000000 106.420 > 16 126 Pd 0.75000000000000 0.00000000000000 0.75000000000000 106.420 > 16 127 Pd 0.25000000000000 0.50000000000000 0.75000000000000 106.420 > 16 128 Pd 0.75000000000000 0.50000000000000 0.75000000000000 106.420 > 16----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 10.0119345 0.0000000 0.0681004 0.0000000 12.7081481 0.0000000 0.0681014 0.0000000 7.6817342-------------------------- Born effective charges -------------------------- 1 Cu 0.8084675 0.0000000 -0.3402783 0.0000000 0.5139848 0.0000000 0.0209691 0.0000000 0.1463342 2 Cu 0.8084675 0.0000000 -0.3402783 0.0000000 0.5139848 0.0000000 0.0209691 0.0000000 0.1463342 3 Se -1.0454000 0.0000000 0.8508423 0.0000000 -0.8265512 0.0000000 0.1259607 0.0000000 -0.4318251 4 Se 0.1854435 0.5999572 0.7906300 1.6965533 0.9578610 1.0501363 0.6808884 0.5064580 -0.2069542 5 Se 1.4589970 0.0000000 -1.8761182 0.0000000 -0.3014893 0.0000000 -1.1371429 0.0000000 1.2015673 6 Se 1.4589970 0.0000000 -1.8761182 0.0000000 -0.3014893 0.0000000 -1.1371429 0.0000000 1.2015673 7 Se 0.1854435 -0.5999572 0.7906300 -1.6965533 0.9578610 -1.0501363 0.6808884 -0.5064580 -0.2069542 8 Se -1.9538621 0.0000000 -0.1842753 0.0000000 -2.1919946 0.0000000 -0.2905733 0.0000000 -2.0852480 9 Se -1.9538621 0.0000000 -0.1842753 0.0000000 -2.1919946 0.0000000 -0.2905733 0.0000000 -2.0852480 10 Se -1.0454000 0.0000000 0.8508423 0.0000000 -0.8265512 0.0000000 0.1259607 0.0000000 -0.4318251 11 Se 0.1854435 0.5999572 0.7906300 1.6965533 0.9578610 1.0501363 0.6808884 0.5064580 -0.2069542 12 Se 0.1854435 -0.5999572 0.7906300 -1.6965533 0.9578610 -1.0501363 0.6808884 -0.5064580 -0.2069542 13 Rb 1.3788736 0.0000000 0.0006679 0.0000000 1.2765901 0.0000000 -0.0319405 0.0000000 1.9514944 14 Rb 1.3788736 0.0000000 0.0006679 0.0000000 1.2765901 0.0000000 -0.0319405 0.0000000 1.9514944 15 Pd -1.0179630 -0.6106882 -0.0320986 -0.1043703 -0.3862617 -0.2747518 -0.0490500 -0.2059255 -0.3684145 16 Pd -1.0179630 0.6106882 -0.0320986 0.1043703 -0.3862617 0.2747518 -0.0490500 0.2059255 -0.3684145----------------------------------------------------------------------------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: 384/384Permutation basis: 9696/9696Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 2516Number of blocks in projector: 2516Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 616Use submatrix version of eigh solver.(1) Block: 500 / 616 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found.(1) 487 eigenvectors found.(1) Block: 616 / 616(1) 107 eigenvectors found.(1) Complementary block size: 22(1) Compute compressed projector.(1) Use standard solver.(1) 9 eigenvectors found.--- Eigsh_solver_block: 2 / 6 ---Block_size: 416Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 416Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 356Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 356Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 356Use standard eigh solver.Tree of FC basis block matrices:- (2516, 2474), data: False|-- (356, 349), data: True|-- (356, 349), data: True|-- (356, 349), data: True|-- (416, 412), data: True|-- (416, 412), data: True|-- (616, 603), data: False |-- (616, 9), data: (616, 22) @ (22, 9) |-- (116, 107), data: True |-- (500, 487), data: False |-- (500, 12), data: (500, 25) @ (25, 12) |-- (250, 237), data: True |-- (250, 238), data: True-----Solver_atoms: 1 -- 128 / 128Time (Solver_compr_matrix_reshape): 0.004Solver_block: 100 / 480 - Time: 0.944Solver_block: 200 / 480 - Time: 0.801Solver_block: 300 / 480 - Time: 0.824Solver_block: 400 / 480 - Time: 1.811Solver_block: 480 / 480 - Time: 1.038Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.792--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (zx) 0.00000000 (zx) Permutation basis: 384/384Permutation basis: 9696/9696Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 2516Number of blocks in projector: 2516Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 616Use submatrix version of eigh solver.(1) Block: 500 / 616 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found.(1) 487 eigenvectors found.(1) Block: 616 / 616(1) 107 eigenvectors found.(1) Complementary block size: 22(1) Compute compressed projector.(1) Use standard solver.(1) 9 eigenvectors found.--- Eigsh_solver_block: 2 / 6 ---Block_size: 416Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 416Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 356Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 356Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 356Use standard eigh solver.Tree of FC basis block matrices:- (2516, 2474), data: False|-- (356, 349), data: True|-- (356, 349), data: True|-- (356, 349), data: True|-- (416, 412), data: True|-- (416, 412), data: True|-- (616, 603), data: False |-- (616, 9), data: (616, 22) @ (22, 9) |-- (116, 107), data: True |-- (500, 487), data: False |-- (500, 12), data: (500, 25) @ (25, 12) |-- (250, 237), data: True |-- (250, 238), data: TrueMax drift after symmetrization by symfc projector: 0.00000000 (zx) 0.00000000 (zx) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-07 23:52:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 23:52:19]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [2 2 2]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/m (11)------------------------------ primitive cell ------------------------------Lattice vectors: a 6.222046501226458 0.000000000000000 0.000000000000000 b 0.000000000000000 7.282716690000002 0.000000000000000 c -2.023103600637645 0.000000000000000 8.770988440862757Atomic positions (fractional): 1 Cu 0.11568948798966 0.25000000000000 0.61101438656441 63.546 2 Cu 0.88431051201035 0.75000000000000 0.38898561343559 63.546 3 Se 0.03803163919082 0.75000000000000 0.65259283155882 78.960 4 Se 0.68269954165384 0.00949309759016 0.28428787814639 78.960 5 Se 0.73017422483735 0.25000000000000 0.63320903532572 78.960 6 Se 0.26982577516265 0.75000000000000 0.36679096467428 78.960 7 Se 0.68269954165384 0.49050690240984 0.28428787814639 78.960 8 Se 0.30735013452130 0.75000000000000 0.11032031558744 78.960 9 Se 0.69264986547870 0.25000000000000 0.88967968441256 78.960 10 Se 0.96196836080918 0.25000000000000 0.34740716844117 78.960 11 Se 0.31730045834616 0.99050690240984 0.71571212185361 78.960 12 Se 0.31730045834616 0.50949309759016 0.71571212185361 78.960 13 Rb 0.24684092088537 0.25000000000000 0.05061908650164 85.468 14 Rb 0.75315907911463 0.75000000000000 0.94938091349836 85.468 15 Pd 0.50000000000000 0.50000000000000 0.50000000000000 106.420 16 Pd 0.50000000000000 0.00000000000000 0.50000000000000 106.420-------------------------------- supercell ---------------------------------Lattice vectors: a 12.444093002452917 0.000000000000000 0.000000000000000 b 0.000000000000000 14.565433380000004 0.000000000000000 c -4.046207201275290 0.000000000000000 17.541976881725514Atomic positions (fractional): 1 Cu 0.05784474399483 0.12500000000000 0.30550719328220 63.546 > 1 2 Cu 0.55784474399483 0.12500000000000 0.30550719328220 63.546 > 1 3 Cu 0.05784474399483 0.62500000000000 0.30550719328220 63.546 > 1 4 Cu 0.55784474399483 0.62500000000000 0.30550719328220 63.546 > 1 5 Cu 0.05784474399483 0.12500000000000 0.80550719328220 63.546 > 1 6 Cu 0.55784474399483 0.12500000000000 0.80550719328220 63.546 > 1 7 Cu 0.05784474399483 0.62500000000000 0.80550719328220 63.546 > 1 8 Cu 0.55784474399483 0.62500000000000 0.80550719328220 63.546 > 1 9 Cu 0.44215525600517 0.37500000000000 0.19449280671780 63.546 > 9 10 Cu 0.94215525600517 0.37500000000000 0.19449280671780 63.546 > 9 11 Cu 0.44215525600517 0.87500000000000 0.19449280671780 63.546 > 9 12 Cu 0.94215525600517 0.87500000000000 0.19449280671780 63.546 > 9 13 Cu 0.44215525600517 0.37500000000000 0.69449280671780 63.546 > 9 14 Cu 0.94215525600517 0.37500000000000 0.69449280671780 63.546 > 9 15 Cu 0.44215525600517 0.87500000000000 0.69449280671780 63.546 > 9 16 Cu 0.94215525600517 0.87500000000000 0.69449280671780 63.546 > 9 17 Se 0.01901581959541 0.37500000000000 0.32629641577941 78.960 > 17 18 Se 0.51901581959541 0.37500000000000 0.32629641577941 78.960 > 17 19 Se 0.01901581959541 0.87500000000000 0.32629641577941 78.960 > 17 20 Se 0.51901581959541 0.87500000000000 0.32629641577941 78.960 > 17 21 Se 0.01901581959541 0.37500000000000 0.82629641577941 78.960 > 17 22 Se 0.51901581959541 0.37500000000000 0.82629641577941 78.960 > 17 23 Se 0.01901581959541 0.87500000000000 0.82629641577941 78.960 > 17 24 Se 0.51901581959541 0.87500000000000 0.82629641577941 78.960 > 17 25 Se 0.34134977082692 0.00474654879508 0.14214393907319 78.960 > 25 26 Se 0.84134977082692 0.00474654879508 0.14214393907319 78.960 > 25 27 Se 0.34134977082692 0.50474654879508 0.14214393907319 78.960 > 25 28 Se 0.84134977082692 0.50474654879508 0.14214393907319 78.960 > 25 29 Se 0.34134977082692 0.00474654879508 0.64214393907319 78.960 > 25 30 Se 0.84134977082692 0.00474654879508 0.64214393907319 78.960 > 25 31 Se 0.34134977082692 0.50474654879508 0.64214393907319 78.960 > 25 32 Se 0.84134977082692 0.50474654879508 0.64214393907319 78.960 > 25 33 Se 0.36508711241867 0.12500000000000 0.31660451766286 78.960 > 33 34 Se 0.86508711241867 0.12500000000000 0.31660451766286 78.960 > 33 35 Se 0.36508711241867 0.62500000000000 0.31660451766286 78.960 > 33 36 Se 0.86508711241867 0.62500000000000 0.31660451766286 78.960 > 33 37 Se 0.36508711241867 0.12500000000000 0.81660451766286 78.960 > 33 38 Se 0.86508711241867 0.12500000000000 0.81660451766286 78.960 > 33 39 Se 0.36508711241867 0.62500000000000 0.81660451766286 78.960 > 33 40 Se 0.86508711241867 0.62500000000000 0.81660451766286 78.960 > 33 41 Se 0.13491288758133 0.37500000000000 0.18339548233714 78.960 > 41 42 Se 0.63491288758133 0.37500000000000 0.18339548233714 78.960 > 41 43 Se 0.13491288758133 0.87500000000000 0.18339548233714 78.960 > 41 44 Se 0.63491288758133 0.87500000000000 0.18339548233714 78.960 > 41 45 Se 0.13491288758133 0.37500000000000 0.68339548233714 78.960 > 41 46 Se 0.63491288758133 0.37500000000000 0.68339548233714 78.960 > 41 47 Se 0.13491288758133 0.87500000000000 0.68339548233714 78.960 > 41 48 Se 0.63491288758133 0.87500000000000 0.68339548233714 78.960 > 41 49 Se 0.34134977082692 0.24525345120492 0.14214393907319 78.960 > 49 50 Se 0.84134977082692 0.24525345120492 0.14214393907319 78.960 > 49 51 Se 0.34134977082692 0.74525345120492 0.14214393907319 78.960 > 49 52 Se 0.84134977082692 0.74525345120492 0.14214393907319 78.960 > 49 53 Se 0.34134977082692 0.24525345120492 0.64214393907319 78.960 > 49 54 Se 0.84134977082692 0.24525345120492 0.64214393907319 78.960 > 49 55 Se 0.34134977082692 0.74525345120492 0.64214393907319 78.960 > 49 56 Se 0.84134977082692 0.74525345120492 0.64214393907319 78.960 > 49 57 Se 0.15367506726065 0.37500000000000 0.05516015779372 78.960 > 57 58 Se 0.65367506726065 0.37500000000000 0.05516015779372 78.960 > 57 59 Se 0.15367506726065 0.87500000000000 0.05516015779372 78.960 > 57 60 Se 0.65367506726065 0.87500000000000 0.05516015779372 78.960 > 57 61 Se 0.15367506726065 0.37500000000000 0.55516015779372 78.960 > 57 62 Se 0.65367506726065 0.37500000000000 0.55516015779372 78.960 > 57 63 Se 0.15367506726065 0.87500000000000 0.55516015779372 78.960 > 57 64 Se 0.65367506726065 0.87500000000000 0.55516015779372 78.960 > 57 65 Se 0.34632493273935 0.12500000000000 0.44483984220628 78.960 > 65 66 Se 0.84632493273935 0.12500000000000 0.44483984220628 78.960 > 65 67 Se 0.34632493273935 0.62500000000000 0.44483984220628 78.960 > 65 68 Se 0.84632493273935 0.62500000000000 0.44483984220628 78.960 > 65 69 Se 0.34632493273935 0.12500000000000 0.94483984220628 78.960 > 65 70 Se 0.84632493273935 0.12500000000000 0.94483984220628 78.960 > 65 71 Se 0.34632493273935 0.62500000000000 0.94483984220628 78.960 > 65 72 Se 0.84632493273935 0.62500000000000 0.94483984220628 78.960 > 65 73 Se 0.48098418040459 0.12500000000000 0.17370358422059 78.960 > 73 74 Se 0.98098418040459 0.12500000000000 0.17370358422059 78.960 > 73 75 Se 0.48098418040459 0.62500000000000 0.17370358422059 78.960 > 73 76 Se 0.98098418040459 0.62500000000000 0.17370358422059 78.960 > 73 77 Se 0.48098418040459 0.12500000000000 0.67370358422059 78.960 > 73 78 Se 0.98098418040459 0.12500000000000 0.67370358422059 78.960 > 73 79 Se 0.48098418040459 0.62500000000000 0.67370358422059 78.960 > 73 80 Se 0.98098418040459 0.62500000000000 0.67370358422059 78.960 > 73 81 Se 0.15865022917308 0.49525345120492 0.35785606092681 78.960 > 81 82 Se 0.65865022917308 0.49525345120492 0.35785606092681 78.960 > 81 83 Se 0.15865022917308 0.99525345120492 0.35785606092681 78.960 > 81 84 Se 0.65865022917308 0.99525345120492 0.35785606092681 78.960 > 81 85 Se 0.15865022917308 0.49525345120492 0.85785606092681 78.960 > 81 86 Se 0.65865022917308 0.49525345120492 0.85785606092681 78.960 > 81 87 Se 0.15865022917308 0.99525345120492 0.85785606092681 78.960 > 81 88 Se 0.65865022917308 0.99525345120492 0.85785606092681 78.960 > 81 89 Se 0.15865022917308 0.25474654879508 0.35785606092681 78.960 > 89 90 Se 0.65865022917308 0.25474654879508 0.35785606092681 78.960 > 89 91 Se 0.15865022917308 0.75474654879508 0.35785606092681 78.960 > 89 92 Se 0.65865022917308 0.75474654879508 0.35785606092681 78.960 > 89 93 Se 0.15865022917308 0.25474654879508 0.85785606092681 78.960 > 89 94 Se 0.65865022917308 0.25474654879508 0.85785606092681 78.960 > 89 95 Se 0.15865022917308 0.75474654879508 0.85785606092681 78.960 > 89 96 Se 0.65865022917308 0.75474654879508 0.85785606092681 78.960 > 89 97 Rb 0.12342046044269 0.12500000000000 0.02530954325082 85.468 > 97 98 Rb 0.62342046044269 0.12500000000000 0.02530954325082 85.468 > 97 99 Rb 0.12342046044269 0.62500000000000 0.02530954325082 85.468 > 97 100 Rb 0.62342046044269 0.62500000000000 0.02530954325082 85.468 > 97 101 Rb 0.12342046044269 0.12500000000000 0.52530954325082 85.468 > 97 102 Rb 0.62342046044269 0.12500000000000 0.52530954325082 85.468 > 97 103 Rb 0.12342046044269 0.62500000000000 0.52530954325082 85.468 > 97 104 Rb 0.62342046044269 0.62500000000000 0.52530954325082 85.468 > 97 105 Rb 0.37657953955731 0.37500000000000 0.47469045674918 85.468 > 105 106 Rb 0.87657953955731 0.37500000000000 0.47469045674918 85.468 > 105 107 Rb 0.37657953955731 0.87500000000000 0.47469045674918 85.468 > 105 108 Rb 0.87657953955731 0.87500000000000 0.47469045674918 85.468 > 105 109 Rb 0.37657953955731 0.37500000000000 0.97469045674918 85.468 > 105 110 Rb 0.87657953955731 0.37500000000000 0.97469045674918 85.468 > 105 111 Rb 0.37657953955731 0.87500000000000 0.97469045674918 85.468 > 105 112 Rb 0.87657953955731 0.87500000000000 0.97469045674918 85.468 > 105 113 Pd 0.25000000000000 0.25000000000000 0.25000000000000 106.420 > 113 114 Pd 0.75000000000000 0.25000000000000 0.25000000000000 106.420 > 113 115 Pd 0.25000000000000 0.75000000000000 0.25000000000000 106.420 > 113 116 Pd 0.75000000000000 0.75000000000000 0.25000000000000 106.420 > 113 117 Pd 0.25000000000000 0.25000000000000 0.75000000000000 106.420 > 113 118 Pd 0.75000000000000 0.25000000000000 0.75000000000000 106.420 > 113 119 Pd 0.25000000000000 0.75000000000000 0.75000000000000 106.420 > 113 120 Pd 0.75000000000000 0.75000000000000 0.75000000000000 106.420 > 113 121 Pd 0.25000000000000 0.00000000000000 0.25000000000000 106.420 > 121 122 Pd 0.75000000000000 0.00000000000000 0.25000000000000 106.420 > 121 123 Pd 0.25000000000000 0.50000000000000 0.25000000000000 106.420 > 121 124 Pd 0.75000000000000 0.50000000000000 0.25000000000000 106.420 > 121 125 Pd 0.25000000000000 0.00000000000000 0.75000000000000 106.420 > 121 126 Pd 0.75000000000000 0.00000000000000 0.75000000000000 106.420 > 121 127 Pd 0.25000000000000 0.50000000000000 0.75000000000000 106.420 > 121 128 Pd 0.75000000000000 0.50000000000000 0.75000000000000 106.420 > 121----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 10.0119345 0.0000000 0.0681004 0.0000000 12.7081481 0.0000000 0.0681014 0.0000000 7.6817342-------------------------- Born effective charges -------------------------- 1 Cu 0.8084675 0.0000000 -0.3402783 0.0000000 0.5139848 0.0000000 0.0209691 0.0000000 0.1463342 2 Cu 0.8084675 0.0000000 -0.3402783 0.0000000 0.5139848 0.0000000 0.0209691 0.0000000 0.1463342 3 Se -1.0454000 0.0000000 0.8508423 0.0000000 -0.8265512 0.0000000 0.1259607 0.0000000 -0.4318251 4 Se 0.1854435 0.5999572 0.7906300 1.6965533 0.9578610 1.0501363 0.6808884 0.5064580 -0.2069542 5 Se 1.4589970 0.0000000 -1.8761182 0.0000000 -0.3014893 0.0000000 -1.1371429 0.0000000 1.2015673 6 Se 1.4589970 0.0000000 -1.8761182 0.0000000 -0.3014893 0.0000000 -1.1371429 0.0000000 1.2015673 7 Se 0.1854435 -0.5999572 0.7906300 -1.6965533 0.9578610 -1.0501363 0.6808884 -0.5064580 -0.2069542 8 Se -1.9538621 0.0000000 -0.1842753 0.0000000 -2.1919946 0.0000000 -0.2905733 0.0000000 -2.0852480 9 Se -1.9538621 0.0000000 -0.1842753 0.0000000 -2.1919946 0.0000000 -0.2905733 0.0000000 -2.0852480 10 Se -1.0454000 0.0000000 0.8508423 0.0000000 -0.8265512 0.0000000 0.1259607 0.0000000 -0.4318251 11 Se 0.1854435 0.5999572 0.7906300 1.6965533 0.9578610 1.0501363 0.6808884 0.5064580 -0.2069542 12 Se 0.1854435 -0.5999572 0.7906300 -1.6965533 0.9578610 -1.0501363 0.6808884 -0.5064580 -0.2069542 13 Rb 1.3788736 0.0000000 0.0006679 0.0000000 1.2765901 0.0000000 -0.0319405 0.0000000 1.9514944 14 Rb 1.3788736 0.0000000 0.0006679 0.0000000 1.2765901 0.0000000 -0.0319405 0.0000000 1.9514944 15 Pd -1.0179630 -0.6106882 -0.0320986 -0.1043703 -0.3862617 -0.2747518 -0.0490500 -0.2059255 -0.3684145 16 Pd -1.0179630 0.6106882 -0.0320986 0.1043703 -0.3862617 0.2747518 -0.0490500 0.2059255 -0.3684145----------------------------------------------------------------------------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] [-0.0022 0.0000 0.0097] [ 0.0022 0.0000 -0.0097]Computing fc3[ 17, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0022 0.0000 0.0097] [ 0.0022 0.0000 -0.0097]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] [-0.0022 0.0000 0.0097] [ 0.0022 0.0000 -0.0097]Computing fc3[ 33, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0022 0.0000 0.0097] [ 0.0022 0.0000 -0.0097]Computing fc3[ 57, 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] [-0.0022 0.0000 0.0097] [ 0.0022 0.0000 -0.0097]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] [-0.0022 0.0000 0.0097] [ 0.0022 0.0000 -0.0097]Computing fc3[ 113, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0022 0.0000 0.0097] [ 0.0022 0.0000 -0.0097]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: 0.00000012 (yxy) 0.00000012 (yxy) 0.00000012 (yyx)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000007 (yx) 0.00000007 (yx) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 23:52:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 23:52:50]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [2 2 2]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/m (11)------------------------------ primitive cell ------------------------------Lattice vectors: a 6.222046501226458 0.000000000000000 0.000000000000000 b 0.000000000000000 7.282716690000002 0.000000000000000 c -2.023103600637645 0.000000000000000 8.770988440862757Atomic positions (fractional): 1 Cu 0.11568948798966 0.25000000000000 0.61101438656441 63.546 2 Cu 0.88431051201035 0.75000000000000 0.38898561343559 63.546 3 Se 0.03803163919082 0.75000000000000 0.65259283155882 78.960 4 Se 0.68269954165384 0.00949309759016 0.28428787814639 78.960 5 Se 0.73017422483735 0.25000000000000 0.63320903532572 78.960 6 Se 0.26982577516265 0.75000000000000 0.36679096467428 78.960 7 Se 0.68269954165384 0.49050690240984 0.28428787814639 78.960 8 Se 0.30735013452130 0.75000000000000 0.11032031558744 78.960 9 Se 0.69264986547870 0.25000000000000 0.88967968441256 78.960 10 Se 0.96196836080918 0.25000000000000 0.34740716844117 78.960 11 Se 0.31730045834616 0.99050690240984 0.71571212185361 78.960 12 Se 0.31730045834616 0.50949309759016 0.71571212185361 78.960 13 Rb 0.24684092088537 0.25000000000000 0.05061908650164 85.468 14 Rb 0.75315907911463 0.75000000000000 0.94938091349836 85.468 15 Pd 0.50000000000000 0.50000000000000 0.50000000000000 106.420 16 Pd 0.50000000000000 0.00000000000000 0.50000000000000 106.420-------------------------------- supercell ---------------------------------Lattice vectors: a 12.444093002452917 0.000000000000000 0.000000000000000 b 0.000000000000000 14.565433380000004 0.000000000000000 c -4.046207201275290 0.000000000000000 17.541976881725514Atomic positions (fractional): 1 Cu 0.05784474399483 0.12500000000000 0.30550719328220 63.546 > 1 2 Cu 0.55784474399483 0.12500000000000 0.30550719328220 63.546 > 1 3 Cu 0.05784474399483 0.62500000000000 0.30550719328220 63.546 > 1 4 Cu 0.55784474399483 0.62500000000000 0.30550719328220 63.546 > 1 5 Cu 0.05784474399483 0.12500000000000 0.80550719328220 63.546 > 1 6 Cu 0.55784474399483 0.12500000000000 0.80550719328220 63.546 > 1 7 Cu 0.05784474399483 0.62500000000000 0.80550719328220 63.546 > 1 8 Cu 0.55784474399483 0.62500000000000 0.80550719328220 63.546 > 1 9 Cu 0.44215525600517 0.37500000000000 0.19449280671780 63.546 > 9 10 Cu 0.94215525600517 0.37500000000000 0.19449280671780 63.546 > 9 11 Cu 0.44215525600517 0.87500000000000 0.19449280671780 63.546 > 9 12 Cu 0.94215525600517 0.87500000000000 0.19449280671780 63.546 > 9 13 Cu 0.44215525600517 0.37500000000000 0.69449280671780 63.546 > 9 14 Cu 0.94215525600517 0.37500000000000 0.69449280671780 63.546 > 9 15 Cu 0.44215525600517 0.87500000000000 0.69449280671780 63.546 > 9 16 Cu 0.94215525600517 0.87500000000000 0.69449280671780 63.546 > 9 17 Se 0.01901581959541 0.37500000000000 0.32629641577941 78.960 > 17 18 Se 0.51901581959541 0.37500000000000 0.32629641577941 78.960 > 17 19 Se 0.01901581959541 0.87500000000000 0.32629641577941 78.960 > 17 20 Se 0.51901581959541 0.87500000000000 0.32629641577941 78.960 > 17 21 Se 0.01901581959541 0.37500000000000 0.82629641577941 78.960 > 17 22 Se 0.51901581959541 0.37500000000000 0.82629641577941 78.960 > 17 23 Se 0.01901581959541 0.87500000000000 0.82629641577941 78.960 > 17 24 Se 0.51901581959541 0.87500000000000 0.82629641577941 78.960 > 17 25 Se 0.34134977082692 0.00474654879508 0.14214393907319 78.960 > 25 26 Se 0.84134977082692 0.00474654879508 0.14214393907319 78.960 > 25 27 Se 0.34134977082692 0.50474654879508 0.14214393907319 78.960 > 25 28 Se 0.84134977082692 0.50474654879508 0.14214393907319 78.960 > 25 29 Se 0.34134977082692 0.00474654879508 0.64214393907319 78.960 > 25 30 Se 0.84134977082692 0.00474654879508 0.64214393907319 78.960 > 25 31 Se 0.34134977082692 0.50474654879508 0.64214393907319 78.960 > 25 32 Se 0.84134977082692 0.50474654879508 0.64214393907319 78.960 > 25 33 Se 0.36508711241867 0.12500000000000 0.31660451766286 78.960 > 33 34 Se 0.86508711241867 0.12500000000000 0.31660451766286 78.960 > 33 35 Se 0.36508711241867 0.62500000000000 0.31660451766286 78.960 > 33 36 Se 0.86508711241867 0.62500000000000 0.31660451766286 78.960 > 33 37 Se 0.36508711241867 0.12500000000000 0.81660451766286 78.960 > 33 38 Se 0.86508711241867 0.12500000000000 0.81660451766286 78.960 > 33 39 Se 0.36508711241867 0.62500000000000 0.81660451766286 78.960 > 33 40 Se 0.86508711241867 0.62500000000000 0.81660451766286 78.960 > 33 41 Se 0.13491288758133 0.37500000000000 0.18339548233714 78.960 > 41 42 Se 0.63491288758133 0.37500000000000 0.18339548233714 78.960 > 41 43 Se 0.13491288758133 0.87500000000000 0.18339548233714 78.960 > 41 44 Se 0.63491288758133 0.87500000000000 0.18339548233714 78.960 > 41 45 Se 0.13491288758133 0.37500000000000 0.68339548233714 78.960 > 41 46 Se 0.63491288758133 0.37500000000000 0.68339548233714 78.960 > 41 47 Se 0.13491288758133 0.87500000000000 0.68339548233714 78.960 > 41 48 Se 0.63491288758133 0.87500000000000 0.68339548233714 78.960 > 41 49 Se 0.34134977082692 0.24525345120492 0.14214393907319 78.960 > 49 50 Se 0.84134977082692 0.24525345120492 0.14214393907319 78.960 > 49 51 Se 0.34134977082692 0.74525345120492 0.14214393907319 78.960 > 49 52 Se 0.84134977082692 0.74525345120492 0.14214393907319 78.960 > 49 53 Se 0.34134977082692 0.24525345120492 0.64214393907319 78.960 > 49 54 Se 0.84134977082692 0.24525345120492 0.64214393907319 78.960 > 49 55 Se 0.34134977082692 0.74525345120492 0.64214393907319 78.960 > 49 56 Se 0.84134977082692 0.74525345120492 0.64214393907319 78.960 > 49 57 Se 0.15367506726065 0.37500000000000 0.05516015779372 78.960 > 57 58 Se 0.65367506726065 0.37500000000000 0.05516015779372 78.960 > 57 59 Se 0.15367506726065 0.87500000000000 0.05516015779372 78.960 > 57 60 Se 0.65367506726065 0.87500000000000 0.05516015779372 78.960 > 57 61 Se 0.15367506726065 0.37500000000000 0.55516015779372 78.960 > 57 62 Se 0.65367506726065 0.37500000000000 0.55516015779372 78.960 > 57 63 Se 0.15367506726065 0.87500000000000 0.55516015779372 78.960 > 57 64 Se 0.65367506726065 0.87500000000000 0.55516015779372 78.960 > 57 65 Se 0.34632493273935 0.12500000000000 0.44483984220628 78.960 > 65 66 Se 0.84632493273935 0.12500000000000 0.44483984220628 78.960 > 65 67 Se 0.34632493273935 0.62500000000000 0.44483984220628 78.960 > 65 68 Se 0.84632493273935 0.62500000000000 0.44483984220628 78.960 > 65 69 Se 0.34632493273935 0.12500000000000 0.94483984220628 78.960 > 65 70 Se 0.84632493273935 0.12500000000000 0.94483984220628 78.960 > 65 71 Se 0.34632493273935 0.62500000000000 0.94483984220628 78.960 > 65 72 Se 0.84632493273935 0.62500000000000 0.94483984220628 78.960 > 65 73 Se 0.48098418040459 0.12500000000000 0.17370358422059 78.960 > 73 74 Se 0.98098418040459 0.12500000000000 0.17370358422059 78.960 > 73 75 Se 0.48098418040459 0.62500000000000 0.17370358422059 78.960 > 73 76 Se 0.98098418040459 0.62500000000000 0.17370358422059 78.960 > 73 77 Se 0.48098418040459 0.12500000000000 0.67370358422059 78.960 > 73 78 Se 0.98098418040459 0.12500000000000 0.67370358422059 78.960 > 73 79 Se 0.48098418040459 0.62500000000000 0.67370358422059 78.960 > 73 80 Se 0.98098418040459 0.62500000000000 0.67370358422059 78.960 > 73 81 Se 0.15865022917308 0.49525345120492 0.35785606092681 78.960 > 81 82 Se 0.65865022917308 0.49525345120492 0.35785606092681 78.960 > 81 83 Se 0.15865022917308 0.99525345120492 0.35785606092681 78.960 > 81 84 Se 0.65865022917308 0.99525345120492 0.35785606092681 78.960 > 81 85 Se 0.15865022917308 0.49525345120492 0.85785606092681 78.960 > 81 86 Se 0.65865022917308 0.49525345120492 0.85785606092681 78.960 > 81 87 Se 0.15865022917308 0.99525345120492 0.85785606092681 78.960 > 81 88 Se 0.65865022917308 0.99525345120492 0.85785606092681 78.960 > 81 89 Se 0.15865022917308 0.25474654879508 0.35785606092681 78.960 > 89 90 Se 0.65865022917308 0.25474654879508 0.35785606092681 78.960 > 89 91 Se 0.15865022917308 0.75474654879508 0.35785606092681 78.960 > 89 92 Se 0.65865022917308 0.75474654879508 0.35785606092681 78.960 > 89 93 Se 0.15865022917308 0.25474654879508 0.85785606092681 78.960 > 89 94 Se 0.65865022917308 0.25474654879508 0.85785606092681 78.960 > 89 95 Se 0.15865022917308 0.75474654879508 0.85785606092681 78.960 > 89 96 Se 0.65865022917308 0.75474654879508 0.85785606092681 78.960 > 89 97 Rb 0.12342046044269 0.12500000000000 0.02530954325082 85.468 > 97 98 Rb 0.62342046044269 0.12500000000000 0.02530954325082 85.468 > 97 99 Rb 0.12342046044269 0.62500000000000 0.02530954325082 85.468 > 97 100 Rb 0.62342046044269 0.62500000000000 0.02530954325082 85.468 > 97 101 Rb 0.12342046044269 0.12500000000000 0.52530954325082 85.468 > 97 102 Rb 0.62342046044269 0.12500000000000 0.52530954325082 85.468 > 97 103 Rb 0.12342046044269 0.62500000000000 0.52530954325082 85.468 > 97 104 Rb 0.62342046044269 0.62500000000000 0.52530954325082 85.468 > 97 105 Rb 0.37657953955731 0.37500000000000 0.47469045674918 85.468 > 105 106 Rb 0.87657953955731 0.37500000000000 0.47469045674918 85.468 > 105 107 Rb 0.37657953955731 0.87500000000000 0.47469045674918 85.468 > 105 108 Rb 0.87657953955731 0.87500000000000 0.47469045674918 85.468 > 105 109 Rb 0.37657953955731 0.37500000000000 0.97469045674918 85.468 > 105 110 Rb 0.87657953955731 0.37500000000000 0.97469045674918 85.468 > 105 111 Rb 0.37657953955731 0.87500000000000 0.97469045674918 85.468 > 105 112 Rb 0.87657953955731 0.87500000000000 0.97469045674918 85.468 > 105 113 Pd 0.25000000000000 0.25000000000000 0.25000000000000 106.420 > 113 114 Pd 0.75000000000000 0.25000000000000 0.25000000000000 106.420 > 113 115 Pd 0.25000000000000 0.75000000000000 0.25000000000000 106.420 > 113 116 Pd 0.75000000000000 0.75000000000000 0.25000000000000 106.420 > 113 117 Pd 0.25000000000000 0.25000000000000 0.75000000000000 106.420 > 113 118 Pd 0.75000000000000 0.25000000000000 0.75000000000000 106.420 > 113 119 Pd 0.25000000000000 0.75000000000000 0.75000000000000 106.420 > 113 120 Pd 0.75000000000000 0.75000000000000 0.75000000000000 106.420 > 113 121 Pd 0.25000000000000 0.00000000000000 0.25000000000000 106.420 > 121 122 Pd 0.75000000000000 0.00000000000000 0.25000000000000 106.420 > 121 123 Pd 0.25000000000000 0.50000000000000 0.25000000000000 106.420 > 121 124 Pd 0.75000000000000 0.50000000000000 0.25000000000000 106.420 > 121 125 Pd 0.25000000000000 0.00000000000000 0.75000000000000 106.420 > 121 126 Pd 0.75000000000000 0.00000000000000 0.75000000000000 106.420 > 121 127 Pd 0.25000000000000 0.50000000000000 0.75000000000000 106.420 > 121 128 Pd 0.75000000000000 0.50000000000000 0.75000000000000 106.420 > 121----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 10.0119345 0.0000000 0.0681004 0.0000000 12.7081481 0.0000000 0.0681014 0.0000000 7.6817342-------------------------- Born effective charges -------------------------- 1 Cu 0.8084675 0.0000000 -0.3402783 0.0000000 0.5139848 0.0000000 0.0209691 0.0000000 0.1463342 2 Cu 0.8084675 0.0000000 -0.3402783 0.0000000 0.5139848 0.0000000 0.0209691 0.0000000 0.1463342 3 Se -1.0454000 0.0000000 0.8508423 0.0000000 -0.8265512 0.0000000 0.1259607 0.0000000 -0.4318251 4 Se 0.1854435 0.5999572 0.7906300 1.6965533 0.9578610 1.0501363 0.6808884 0.5064580 -0.2069542 5 Se 1.4589970 0.0000000 -1.8761182 0.0000000 -0.3014893 0.0000000 -1.1371429 0.0000000 1.2015673 6 Se 1.4589970 0.0000000 -1.8761182 0.0000000 -0.3014893 0.0000000 -1.1371429 0.0000000 1.2015673 7 Se 0.1854435 -0.5999572 0.7906300 -1.6965533 0.9578610 -1.0501363 0.6808884 -0.5064580 -0.2069542 8 Se -1.9538621 0.0000000 -0.1842753 0.0000000 -2.1919946 0.0000000 -0.2905733 0.0000000 -2.0852480 9 Se -1.9538621 0.0000000 -0.1842753 0.0000000 -2.1919946 0.0000000 -0.2905733 0.0000000 -2.0852480 10 Se -1.0454000 0.0000000 0.8508423 0.0000000 -0.8265512 0.0000000 0.1259607 0.0000000 -0.4318251 11 Se 0.1854435 0.5999572 0.7906300 1.6965533 0.9578610 1.0501363 0.6808884 0.5064580 -0.2069542 12 Se 0.1854435 -0.5999572 0.7906300 -1.6965533 0.9578610 -1.0501363 0.6808884 -0.5064580 -0.2069542 13 Rb 1.3788736 0.0000000 0.0006679 0.0000000 1.2765901 0.0000000 -0.0319405 0.0000000 1.9514944 14 Rb 1.3788736 0.0000000 0.0006679 0.0000000 1.2765901 0.0000000 -0.0319405 0.0000000 1.9514944 15 Pd -1.0179630 -0.6106882 -0.0320986 -0.1043703 -0.3862617 -0.2747518 -0.0490500 -0.2059255 -0.3684145 16 Pd -1.0179630 0.6106882 -0.0320986 0.1043703 -0.3862617 0.2747518 -0.0490500 0.2059255 -0.3684145----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000012 (yxy) 0.00000012 (yxy) 0.00000012 (yyx)Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 8 7 6 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.56, Number of G-points: 299, Lambda: 0.19Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/104) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 104Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.274 ( 0.000 0.000 0.000) 0.000 1.304 ( 0.000 0.000 0.000) 0.000 1.396 ( 0.000 0.000 0.000) 0.000 1.804 ( 0.000 0.000 0.000) 0.000 1.917 ( 0.000 0.000 0.000) 0.000 1.933 ( 0.000 0.000 0.000) 0.000 1.942 ( 0.000 0.000 0.000) 0.000 1.957 ( 0.000 0.000 0.000) 0.000 1.993 ( 0.000 0.000 0.000) 0.000 2.099 ( 0.000 0.000 0.000) 0.000 2.230 ( 0.000 0.000 0.000) 0.000 2.414 ( 0.000 0.000 0.000) 0.000 2.591 ( 0.000 0.000 0.000) 0.000 2.681 ( 0.000 0.000 0.000) 0.000 2.682 ( 0.000 0.000 0.000) 0.000 2.885 ( 0.000 0.000 0.000) 0.000 2.919 ( 0.000 0.000 0.000) 0.000 3.065 ( 0.000 0.000 0.000) 0.000 3.098 ( 0.000 0.000 0.000) 0.000 3.189 ( 0.000 0.000 0.000) 0.000 3.359 ( 0.000 0.000 0.000) 0.000 3.507 ( 0.000 0.000 0.000) 0.000 3.673 ( 0.000 0.000 0.000) 0.000 3.929 ( 0.000 0.000 0.000) 0.000 4.441 ( 0.000 0.000 0.000) 0.000 4.744 ( 0.000 0.000 0.000) 0.000 4.755 ( 0.000 0.000 0.000) 0.000 5.403 ( 0.000 0.000 0.000) 0.000 5.410 ( 0.000 0.000 0.000) 0.000 5.600 ( 0.000 0.000 0.000) 0.000 5.751 ( 0.000 0.000 0.000) 0.000 6.001 ( 0.000 0.000 0.000) 0.000 6.154 ( 0.000 0.000 0.000) 0.000 6.278 ( 0.000 0.000 0.000) 0.000 6.348 ( 0.000 0.000 0.000) 0.000 6.561 ( 0.000 0.000 0.000) 0.000 6.653 ( 0.000 0.000 0.000) 0.000 6.730 ( 0.000 0.000 0.000) 0.000 6.839 ( 0.000 0.000 0.000) 0.000 6.927 ( 0.000 0.000 0.000) 0.000 6.938 ( 0.000 0.000 0.000) 0.000 7.022 ( 0.000 0.000 0.000) 0.000 7.245 ( 0.000 0.000 0.000) 0.000 8.172 ( 0.000 0.000 0.000) 0.000 8.173 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/104) =======================q-point: ( 0.12 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 96Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.300 ( 18.033 0.000 -12.957) 22.205 0.333 ( 15.516 0.000 1.570) 15.596 0.637 ( 26.708 0.000 12.788) 29.612 1.150 ( -5.049 0.000 -4.566) 6.808 1.411 ( 3.910 0.000 3.860) 5.494 1.424 ( 3.911 0.000 -4.363) 5.859 1.788 ( -1.651 0.000 0.419) 1.703 1.870 ( -3.441 0.000 1.785) 3.876 1.919 ( -1.065 0.000 -0.977) 1.445 1.964 ( -1.761 0.000 3.943) 4.319 1.986 ( 3.432 0.000 -1.500) 3.745 2.051 ( 5.557 0.000 -0.659) 5.596 2.096 ( -0.807 0.000 0.313) 0.865 2.237 ( -2.224 0.000 1.866) 2.903 2.409 ( -0.552 0.000 0.242) 0.603 2.513 ( -5.089 0.000 -2.036) 5.481 2.669 ( -5.359 0.000 -0.952) 5.443 2.703 ( 0.773 0.000 0.531) 0.938 2.839 ( -4.258 0.000 -0.216) 4.263 2.980 ( 4.960 0.000 0.801) 5.024 3.107 ( 1.092 0.000 -0.423) 1.171 3.160 ( 3.513 0.000 -2.962) 4.596 3.234 ( 3.832 0.000 3.140) 4.954 3.452 ( -5.467 0.000 1.512) 5.672 3.602 ( -1.998 0.000 2.261) 3.017 3.652 ( -1.820 0.000 -0.308) 1.846 3.899 ( -2.820 0.000 -0.399) 2.849 4.451 ( -1.115 0.000 -0.521) 1.231 4.757 ( 0.043 0.000 0.139) 0.145 4.781 ( 3.234 0.000 0.168) 3.238 5.409 ( -0.105 0.000 -0.128) 0.166 5.419 ( 1.447 0.000 0.012) 1.447 5.550 ( -5.692 0.000 -0.323) 5.701 5.839 ( 5.423 0.000 -0.332) 5.433 6.010 ( 0.831 0.000 0.008) 0.831 6.153 ( -0.075 0.000 -0.056) 0.094 6.279 ( 0.092 0.000 0.021) 0.094 6.352 ( 0.445 0.000 0.049) 0.448 6.546 ( -1.252 0.000 0.007) 1.252 6.648 ( -0.551 0.000 -0.489) 0.737 6.732 ( 0.252 0.000 0.008) 0.252 6.821 ( -1.671 0.000 0.087) 1.673 6.925 ( -0.245 0.000 0.032) 0.247 6.952 ( 1.050 0.000 0.236) 1.077 7.030 ( 0.634 0.000 -0.163) 0.654 7.278 ( -0.637 0.000 0.490) 0.803 8.163 ( 0.158 0.000 -3.195) 3.199 8.223 ( 1.915 0.000 -2.870) 3.450======================= Grid point 2 (3/104) =======================q-point: ( 0.25 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 104Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.601 ( 17.166 0.000 -10.915) 20.342 0.623 ( 12.793 0.000 -0.655) 12.810 1.074 ( -0.428 0.000 -1.316) 1.384 1.113 ( 14.372 0.000 2.649) 14.614 1.479 ( 1.500 0.000 2.147) 2.619 1.549 ( 11.526 0.000 -1.957) 11.691 1.742 ( -3.280 0.000 0.562) 3.328 1.802 ( -4.782 0.000 3.708) 6.051 1.890 ( -0.964 0.000 -1.700) 1.954 1.895 ( -5.261 0.000 -1.035) 5.362 2.049 ( 0.387 0.000 -1.624) 1.669 2.049 ( -1.897 0.000 -0.637) 2.001 2.199 ( 8.241 0.000 2.234) 8.539 2.230 ( 1.365 0.000 1.717) 2.194 2.395 ( -0.978 0.000 -0.165) 0.992 2.417 ( -2.896 0.000 -1.487) 3.256 2.575 ( -3.444 0.000 2.965) 4.545 2.714 ( 0.331 0.000 0.162) 0.368 2.756 ( -2.842 0.000 -0.426) 2.874 3.090 ( 4.961 0.000 0.984) 5.058 3.099 ( -1.553 0.000 -0.075) 1.555 3.202 ( 0.768 0.000 -0.733) 1.062 3.320 ( -6.394 0.000 0.928) 6.461 3.337 ( 2.235 0.000 2.519) 3.368 3.559 ( -1.988 0.000 -1.884) 2.739 3.609 ( -1.923 0.000 -0.474) 1.980 3.824 ( -3.825 0.000 -0.581) 3.869 4.425 ( -1.187 0.000 -0.458) 1.272 4.756 ( -0.260 0.000 0.203) 0.330 4.856 ( 3.653 0.000 0.057) 3.654 5.406 ( -0.079 0.000 -0.170) 0.188 5.441 ( -1.446 0.000 -0.040) 1.447 5.463 ( -0.505 0.000 -0.110) 0.517 5.923 ( 2.816 0.000 -0.410) 2.845 6.029 ( 0.859 0.000 -0.022) 0.859 6.150 ( -0.151 0.000 -0.052) 0.159 6.283 ( 0.280 0.000 0.025) 0.281 6.366 ( 0.820 0.000 0.070) 0.823 6.525 ( -0.531 0.000 0.063) 0.534 6.630 ( -1.052 0.000 -0.157) 1.064 6.739 ( 0.319 0.000 0.012) 0.320 6.780 ( -2.342 0.000 0.392) 2.375 6.919 ( -0.344 0.000 0.044) 0.347 6.980 ( 1.494 0.000 0.481) 1.569 7.040 ( 0.365 0.000 -0.308) 0.478 7.265 ( -0.658 0.000 -0.046) 0.660 8.156 ( 0.377 0.000 -2.364) 2.394 8.248 ( 1.166 0.000 -0.178) 1.179======================= Grid point 3 (4/104) =======================q-point: ( 0.38 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 96Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.827 ( 7.947 0.000 -2.175) 8.239 0.877 ( 14.072 0.000 -7.177) 15.797 1.122 ( 4.118 0.000 2.047) 4.599 1.246 ( 2.063 0.000 -5.680) 6.043 1.496 ( -0.223 0.000 0.585) 0.626 1.663 ( -4.446 0.000 0.039) 4.446 1.697 ( -3.074 0.000 2.070) 3.706 1.753 ( -5.182 0.000 2.377) 5.701 1.834 ( 7.051 0.000 -2.106) 7.358 1.870 ( -0.296 0.000 -1.155) 1.192 1.944 ( -5.083 0.000 0.083) 5.083 2.093 ( 3.548 0.000 -1.408) 3.817 2.254 ( -1.676 0.000 2.646) 3.132 2.368 ( -0.570 0.000 -1.843) 1.929 2.384 ( 9.717 0.000 1.873) 9.896 2.389 ( -0.716 0.000 1.002) 1.232 2.616 ( 4.742 0.000 4.969) 6.868 2.720 ( 0.249 0.000 0.025) 0.251 2.742 ( 1.838 0.000 2.410) 3.031 3.005 ( -8.048 0.000 -0.933) 8.102 3.171 ( 2.565 0.000 0.693) 2.657 3.173 ( -3.267 0.000 -2.020) 3.841 3.203 ( -4.903 0.000 2.457) 5.485 3.361 ( 0.558 0.000 -1.659) 1.750 3.516 ( -1.771 0.000 -1.851) 2.562 3.580 ( -0.738 0.000 -0.380) 0.830 3.771 ( -0.828 0.000 -0.209) 0.854 4.403 ( -0.769 0.000 -0.208) 0.796 4.749 ( -0.385 0.000 0.150) 0.413 4.912 ( 1.760 0.000 -0.074) 1.761 5.404 ( -0.011 0.000 -0.114) 0.115 5.412 ( -0.020 0.000 0.072) 0.075 5.476 ( 0.235 0.000 -0.181) 0.297 5.948 ( 0.102 0.000 -0.225) 0.247 6.041 ( 0.319 0.000 -0.042) 0.322 6.148 ( -0.055 0.000 -0.013) 0.056 6.288 ( 0.253 0.000 0.012) 0.253 6.383 ( 0.761 0.000 0.052) 0.763 6.534 ( 1.341 0.000 -0.093) 1.344 6.606 ( -1.323 0.000 -0.059) 1.324 6.737 ( -1.911 0.000 0.504) 1.976 6.744 ( 0.172 0.000 0.009) 0.172 6.913 ( -0.230 0.000 0.029) 0.232 7.011 ( 1.156 0.000 0.648) 1.326 7.040 ( -0.107 0.000 -0.511) 0.522 7.254 ( -0.373 0.000 -0.130) 0.395 8.155 ( 0.332 0.000 -1.207) 1.252 8.266 ( 0.598 0.000 0.119) 0.609======================= Grid point 4 (5/104) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 56Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.907 ( 0.000 0.000 0.000) 0.000 1.042 ( 0.000 0.000 0.000) 0.000 1.187 ( 0.000 0.000 0.000) 0.000 1.216 ( -0.000 0.000 0.000) 0.000 1.491 ( 0.000 0.000 0.000) 0.000 1.603 ( 0.000 0.000 -0.000) 0.000 1.661 ( -0.000 0.000 0.000) 0.000 1.692 ( 0.000 0.000 -0.000) 0.000 1.865 ( 0.000 0.000 0.000) 0.000 1.888 ( 0.000 0.000 0.000) 0.000 1.895 ( -0.000 0.000 0.000) 0.000 2.183 ( -0.000 0.000 0.000) 0.000 2.191 ( 0.000 0.000 -0.000) 0.000 2.359 ( 0.000 0.000 -0.000) 0.000 2.384 ( -0.000 0.000 0.000) 0.000 2.540 ( 0.000 0.000 0.000) 0.000 2.701 ( -0.000 0.000 0.000) 0.000 2.723 ( 0.000 0.000 0.000) 0.000 2.776 ( -0.000 0.000 -0.000) 0.000 2.918 ( 0.000 0.000 0.000) 0.000 3.048 ( 0.000 0.000 0.000) 0.000 3.181 ( 0.000 0.000 0.000) 0.000 3.198 ( 0.000 0.000 0.000) 0.000 3.368 ( 0.000 0.000 0.000) 0.000 3.484 ( 0.000 0.000 0.000) 0.000 3.573 ( 0.000 0.000 0.000) 0.000 3.769 ( 0.000 0.000 0.000) 0.000 4.394 ( 0.000 0.000 0.000) 0.000 4.745 ( 0.000 0.000 -0.000) 0.000 4.928 ( 0.000 0.000 -0.000) 0.000 5.404 ( 0.000 0.000 0.000) 0.000 5.423 ( 0.000 0.000 -0.000) 0.000 5.472 ( 0.000 0.000 0.000) 0.000 5.944 ( 0.000 0.000 0.000) 0.000 6.043 ( 0.000 0.000 0.000) 0.000 6.148 ( 0.000 0.000 0.000) 0.000 6.291 ( 0.000 0.000 0.000) 0.000 6.392 ( 0.000 0.000 0.000) 0.000 6.560 ( 0.000 0.000 0.000) 0.000 6.582 ( -0.000 0.000 -0.000) 0.000 6.717 ( 0.000 0.000 0.000) 0.000 6.745 ( 0.000 0.000 0.000) 0.000 6.911 ( 0.000 0.000 0.000) 0.000 7.030 ( -0.000 0.000 -0.000) 0.000 7.032 ( 0.000 0.000 0.000) 0.000 7.249 ( 0.000 0.000 0.000) 0.000 8.156 ( 0.000 0.000 0.000) 0.000 8.272 ( 0.000 0.000 -0.000) 0.000======================= Grid point 9 (6/104) =======================q-point: ( 0.00 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 104Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.166 ( 0.000 11.546 0.000) 11.546 0.304 ( 0.000 16.238 0.000) 16.238 0.672 ( 0.000 31.889 0.000) 31.889 1.185 ( 0.000 -6.970 0.000) 6.970 1.332 ( 0.000 2.284 0.000) 2.284 1.464 ( 0.000 4.046 0.000) 4.046 1.886 ( 0.000 -0.657 0.000) 0.657 1.912 ( 0.000 1.671 0.000) 1.671 1.956 ( 0.000 0.413 0.000) 0.413 1.971 ( 0.000 2.294 0.000) 2.294 1.972 ( 0.000 1.736 0.000) 1.736 2.043 ( 0.000 4.018 0.000) 4.018 2.187 ( 0.000 -2.779 0.000) 2.779 2.237 ( 0.000 1.832 0.000) 1.832 2.438 ( 0.000 3.414 0.000) 3.414 2.627 ( 0.000 3.817 0.000) 3.817 2.656 ( 0.000 -10.553 0.000) 10.553 2.671 ( 0.000 -0.847 0.000) 0.847 2.796 ( 0.000 -10.318 0.000) 10.318 3.044 ( 0.000 2.011 0.000) 2.011 3.053 ( 0.000 -4.442 0.000) 4.442 3.138 ( 0.000 6.660 0.000) 6.660 3.320 ( 0.000 10.445 0.000) 10.445 3.360 ( 0.000 0.178 0.000) 0.178 3.502 ( 0.000 -0.249 0.000) 0.249 3.715 ( 0.000 0.533 0.000) 0.533 3.918 ( 0.000 -1.193 0.000) 1.193 4.345 ( 0.000 -8.389 0.000) 8.389 4.726 ( 0.000 -1.772 0.000) 1.772 4.779 ( 0.000 1.661 0.000) 1.661 5.398 ( 0.000 -0.710 0.000) 0.710 5.431 ( 0.000 -0.675 0.000) 0.675 5.542 ( 0.000 -2.663 0.000) 2.663 5.708 ( 0.000 -3.550 0.000) 3.550 6.117 ( 0.000 1.126 0.000) 1.126 6.188 ( 0.000 2.750 0.000) 2.750 6.344 ( 0.000 5.722 0.000) 5.722 6.378 ( 0.000 2.861 0.000) 2.861 6.574 ( 0.000 1.304 0.000) 1.304 6.659 ( 0.000 0.697 0.000) 0.697 6.737 ( 0.000 -0.178 0.000) 0.178 6.828 ( 0.000 -1.030 0.000) 1.030 6.919 ( 0.000 -1.631 0.000) 1.631 6.921 ( 0.000 -1.738 0.000) 1.738 6.996 ( 0.000 -2.456 0.000) 2.456 7.207 ( 0.000 -3.710 0.000) 3.710 8.168 ( 0.000 -0.460 0.000) 0.460 8.169 ( 0.000 -0.275 0.000) 0.275======================= Grid point 10 (7/104) =======================q-point: ( 0.12 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.345 ( 15.102 5.225 -8.341) 18.026 0.470 ( 12.735 9.088 2.423) 15.831 0.860 ( 12.876 19.898 2.191) 23.801 1.186 ( 2.828 0.492 -0.892) 3.006 1.338 ( 0.991 -0.308 -0.005) 1.038 1.512 ( 3.755 4.231 0.372) 5.669 1.841 ( -2.552 2.256 -1.136) 3.591 1.904 ( -4.252 2.055 1.629) 4.996 1.939 ( 0.567 0.353 2.025) 2.132 1.959 ( 0.472 0.017 1.200) 1.290 2.035 ( 2.237 1.648 -0.339) 2.799 2.046 ( 2.629 3.481 -2.920) 5.250 2.119 ( -3.610 -0.109 -1.276) 3.831 2.242 ( -1.661 1.051 1.583) 2.524 2.420 ( -1.619 1.158 -0.339) 2.019 2.570 ( -3.953 4.480 -0.360) 5.986 2.619 ( -3.939 -3.863 0.116) 5.518 2.671 ( 0.059 -4.233 0.180) 4.237 2.777 ( 0.122 -4.891 0.994) 4.992 2.935 ( -2.262 1.388 -0.563) 2.713 3.127 ( 4.201 -3.461 -2.648) 6.053 3.233 ( 5.429 3.922 1.750) 6.922 3.306 ( -1.472 8.626 1.136) 8.825 3.433 ( -2.610 -1.866 1.046) 3.374 3.490 ( 1.481 -3.538 1.801) 4.237 3.688 ( -1.983 1.386 -0.621) 2.498 3.890 ( -2.615 -0.928 -0.720) 2.866 4.344 ( -0.328 -8.572 -0.270) 8.582 4.751 ( 1.907 -1.530 0.060) 2.446 4.797 ( 1.730 1.509 0.204) 2.305 5.383 ( -1.417 -2.797 0.048) 3.136 5.442 ( 0.620 -1.300 0.002) 1.440 5.507 ( -2.192 0.604 -0.112) 2.277 5.751 ( 3.048 -6.268 -0.326) 6.977 6.081 ( -1.434 3.777 -0.110) 4.041 6.208 ( 1.765 3.810 -0.023) 4.199 6.329 ( -1.164 4.472 0.016) 4.621 6.391 ( 0.955 3.648 -0.027) 3.771 6.561 ( -1.210 1.508 0.045) 1.934 6.652 ( -0.701 0.470 -0.189) 0.865 6.735 ( -0.046 -0.002 -0.056) 0.072 6.812 ( -1.570 -0.902 0.113) 1.814 6.910 ( -0.339 -1.908 0.073) 1.940 6.935 ( 0.930 -1.375 0.166) 1.668 7.002 ( 0.586 -2.600 -0.203) 2.673 7.220 ( 0.354 -4.705 0.225) 4.724 8.154 ( 0.155 -0.582 -2.580) 2.650 8.203 ( 1.708 -1.257 0.074) 2.122======================= Grid point 11 (8/104) =======================q-point: ( 0.25 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 170Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.621 ( 15.569 2.347 -8.606) 17.944 0.749 ( 13.017 6.697 1.422) 14.707 1.013 ( 3.981 6.131 -4.224) 8.443 1.338 ( 5.359 11.810 1.219) 13.026 1.401 ( 7.490 -5.575 0.853) 9.376 1.595 ( 4.343 3.397 0.706) 5.559 1.801 ( -3.534 0.665 2.665) 4.476 1.808 ( -3.427 1.621 -1.599) 4.115 1.888 ( -4.271 0.598 -0.851) 4.396 1.974 ( -1.231 4.886 1.574) 5.279 2.032 ( -3.931 0.984 -1.242) 4.238 2.085 ( 3.141 3.730 -2.896) 5.672 2.154 ( 6.988 -2.457 1.905) 7.648 2.220 ( 0.298 -0.961 1.406) 1.729 2.383 ( -1.513 -1.123 0.417) 1.930 2.506 ( -2.779 5.618 -0.498) 6.287 2.563 ( -0.750 1.250 3.064) 3.393 2.669 ( -0.213 -5.322 -0.189) 5.330 2.774 ( -1.047 2.395 0.658) 2.696 2.932 ( 1.061 -5.913 0.017) 6.007 3.192 ( 2.941 -1.684 -1.897) 3.884 3.273 ( -2.535 5.276 1.852) 6.139 3.314 ( -6.334 -0.513 2.960) 7.010 3.333 ( 0.950 2.329 -0.298) 2.533 3.509 ( 0.472 -2.793 -1.483) 3.198 3.652 ( -1.037 2.850 -0.636) 3.099 3.815 ( -4.089 -0.717 -0.741) 4.217 4.329 ( -0.905 -7.956 -0.331) 8.014 4.779 ( 0.897 0.980 0.096) 1.332 4.852 ( 3.195 -0.175 0.076) 3.200 5.344 ( -2.136 -5.400 0.064) 5.807 5.445 ( -0.180 -1.612 -0.085) 1.624 5.488 ( 0.152 3.675 -0.162) 3.681 5.797 ( 1.577 -8.544 -0.338) 8.695 6.077 ( 0.663 3.579 0.037) 3.640 6.240 ( 0.424 6.313 -0.153) 6.330 6.314 ( 0.404 2.347 0.055) 2.382 6.409 ( 0.778 4.111 -0.015) 4.184 6.538 ( -0.803 1.533 0.061) 1.731 6.631 ( -1.158 0.202 -0.109) 1.180 6.733 ( -0.286 -0.631 0.026) 0.693 6.775 ( -1.824 -0.425 0.344) 1.904 6.906 ( -0.155 -1.417 0.038) 1.426 6.959 ( 1.258 -1.970 0.453) 2.381 7.011 ( 0.346 -2.725 -0.394) 2.775 7.218 ( -0.349 -4.389 -0.045) 4.403 8.148 ( 0.265 -0.654 -1.976) 2.098 8.231 ( 1.045 -1.523 0.192) 1.857======================= Grid point 12 (9/104) =======================q-point: ( 0.38 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.869 ( 11.756 -0.899 -5.436) 12.983 0.972 ( 8.723 7.514 -2.040) 11.692 1.059 ( 1.926 4.546 -1.225) 5.087 1.410 ( 4.154 9.499 -3.002) 10.794 1.499 ( 0.980 -0.161 0.577) 1.148 1.617 ( -5.076 -2.038 3.261) 6.368 1.715 ( -2.055 -0.705 -0.768) 2.304 1.798 ( 0.444 -0.166 -2.538) 2.582 1.839 ( 0.635 0.735 0.722) 1.211 1.914 ( -4.127 7.129 0.632) 8.261 1.977 ( -2.348 4.410 0.280) 5.004 2.118 ( 2.490 1.867 -1.916) 3.654 2.228 ( -1.030 -2.177 2.136) 3.219 2.329 ( 7.158 -0.955 1.073) 7.301 2.382 ( 0.662 0.531 1.765) 1.959 2.478 ( 1.601 4.668 -0.846) 5.007 2.622 ( 3.341 0.767 3.837) 5.145 2.681 ( 2.421 -4.597 2.130) 5.615 2.757 ( -0.439 2.989 0.379) 3.045 2.926 ( -2.517 -4.889 -0.284) 5.506 3.168 ( -6.110 -0.185 -1.381) 6.267 3.181 ( -5.160 -1.305 1.687) 5.584 3.249 ( 0.154 1.389 -0.144) 1.405 3.336 ( 0.113 0.104 -1.048) 1.059 3.513 ( 0.011 0.866 -1.443) 1.683 3.641 ( -0.107 4.587 -0.351) 4.601 3.746 ( -1.856 -2.184 -0.269) 2.879 4.310 ( -0.765 -7.697 -0.153) 7.736 4.792 ( 0.373 2.989 0.088) 3.014 4.904 ( 1.695 -0.896 -0.053) 1.918 5.318 ( -0.316 -5.968 0.029) 5.976 5.445 ( 0.325 -0.989 -0.089) 1.044 5.489 ( -0.304 2.735 -0.118) 2.754 5.813 ( 0.263 -8.802 -0.156) 8.808 6.097 ( 1.159 3.762 0.028) 3.936 6.215 ( -1.921 5.013 -0.035) 5.368 6.348 ( 2.030 4.305 -0.105) 4.761 6.418 ( 0.115 3.655 0.043) 3.657 6.538 ( 0.853 0.719 -0.079) 1.119 6.606 ( -1.380 0.027 -0.036) 1.381 6.718 ( -1.179 -1.464 0.369) 1.915 6.754 ( -0.457 0.449 0.101) 0.648 6.903 ( -0.110 -1.018 0.011) 1.024 6.985 ( 0.947 -2.529 0.677) 2.784 7.012 ( -0.049 -2.716 -0.610) 2.784 7.211 ( -0.275 -4.110 -0.102) 4.121 8.146 ( 0.219 -0.807 -1.042) 1.336 8.248 ( 0.500 -1.743 0.183) 1.823======================= Grid point 13 (10/104) =======================q-point: (-0.50 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 92Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.000 ( 0.000 -7.826 -0.000) 7.826 1.061 ( -0.000 4.795 0.000) 4.795 1.063 ( -0.000 10.547 0.000) 10.547 1.456 ( -0.000 12.930 0.000) 12.930 1.499 ( -0.000 0.084 0.000) 0.084 1.552 ( 0.000 -2.494 -0.000) 2.494 1.697 ( 0.000 0.805 0.000) 0.805 1.786 ( 0.000 5.478 0.000) 5.478 1.860 ( 0.000 -0.628 0.000) 0.628 1.879 ( -0.000 1.688 0.000) 1.688 1.926 ( 0.000 3.725 -0.000) 3.725 2.166 ( -0.000 -2.266 0.000) 2.266 2.196 ( 0.000 1.226 0.000) 1.226 2.380 ( 0.000 2.525 0.000) 2.525 2.408 ( 0.000 1.875 0.000) 1.875 2.544 ( 0.000 0.005 0.000) 0.005 2.684 ( 0.000 -0.016 0.000) 0.016 2.697 ( -0.000 -6.790 -0.000) 6.790 2.776 ( -0.000 3.642 -0.000) 3.642 2.915 ( -0.000 0.467 0.000) 0.467 3.022 ( 0.000 -2.316 0.000) 2.316 3.145 ( 0.000 -2.964 0.000) 2.964 3.247 ( 0.000 2.063 0.000) 2.063 3.342 ( 0.000 -0.901 0.000) 0.901 3.501 ( -0.000 2.516 0.000) 2.516 3.638 ( 0.000 5.304 0.000) 5.304 3.733 ( 0.000 -3.515 0.000) 3.515 4.302 ( 0.000 -7.677 0.000) 7.677 4.796 ( -0.000 3.778 0.000) 3.778 4.919 ( 0.000 -1.007 -0.000) 1.007 5.319 ( 0.000 -6.147 -0.000) 6.147 5.452 ( 0.000 -2.378 0.000) 2.378 5.481 ( 0.000 3.710 -0.000) 3.710 5.814 ( 0.000 -8.515 0.000) 8.515 6.113 ( 0.000 4.430 0.000) 4.430 6.190 ( 0.000 3.750 -0.000) 3.750 6.371 ( 0.000 6.211 0.000) 6.211 6.418 ( 0.000 2.556 -0.000) 2.556 6.557 ( 0.000 -0.131 0.000) 0.131 6.583 ( -0.000 0.150 -0.000) 0.150 6.705 ( 0.000 -1.193 -0.000) 1.193 6.750 ( -0.000 0.372 0.000) 0.372 6.902 ( -0.000 -0.887 0.000) 0.887 6.999 ( -0.000 -3.125 -0.000) 3.125 7.007 ( 0.000 -2.315 0.000) 2.315 7.208 ( 0.000 -4.021 0.000) 4.021 8.146 ( 0.000 -0.894 0.000) 0.894 8.253 ( 0.000 -1.842 -0.000) 1.842======================= Grid point 18 (11/104) =======================q-point: ( 0.00 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 104Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.416 ( 0.000 12.911 0.000) 12.911 0.650 ( 0.000 19.136 0.000) 19.136 1.033 ( 0.000 -8.241 0.000) 8.241 1.216 ( 0.000 22.839 0.000) 22.839 1.384 ( 0.000 3.239 0.000) 3.239 1.492 ( 0.000 -2.313 0.000) 2.313 1.878 ( 0.000 -0.029 0.000) 0.029 1.943 ( 0.000 -1.545 0.000) 1.545 1.951 ( 0.000 1.024 0.000) 1.024 2.005 ( 0.000 -1.414 0.000) 1.414 2.019 ( 0.000 1.425 0.000) 1.425 2.056 ( 0.000 -1.487 0.000) 1.487 2.103 ( 0.000 -1.295 0.000) 1.295 2.271 ( 0.000 0.992 0.000) 0.992 2.516 ( 0.000 -2.873 0.000) 2.873 2.522 ( 0.000 -0.280 0.000) 0.280 2.612 ( 0.000 -8.104 0.000) 8.104 2.659 ( 0.000 0.784 0.000) 0.784 2.789 ( 0.000 11.964 0.000) 11.964 2.957 ( 0.000 -2.245 0.000) 2.245 3.004 ( 0.000 -3.710 0.000) 3.710 3.302 ( 0.000 6.872 0.000) 6.872 3.372 ( 0.000 1.221 0.000) 1.221 3.473 ( 0.000 3.158 0.000) 3.158 3.551 ( 0.000 6.797 0.000) 6.797 3.724 ( 0.000 0.975 0.000) 0.975 3.877 ( 0.000 -3.265 0.000) 3.265 4.163 ( 0.000 -9.369 0.000) 9.369 4.686 ( 0.000 -1.797 0.000) 1.797 4.794 ( 0.000 -0.696 0.000) 0.696 5.320 ( 0.000 -6.919 0.000) 6.919 5.360 ( 0.000 -3.322 0.000) 3.322 5.579 ( 0.000 3.527 0.000) 3.527 5.651 ( 0.000 -1.611 0.000) 1.611 6.149 ( 0.000 2.156 0.000) 2.156 6.233 ( 0.000 1.349 0.000) 1.349 6.453 ( 0.000 4.713 0.000) 4.713 6.472 ( 0.000 6.628 0.000) 6.628 6.604 ( 0.000 1.502 0.000) 1.502 6.686 ( 0.000 2.080 0.000) 2.080 6.728 ( 0.000 -0.908 0.000) 0.908 6.802 ( 0.000 -1.533 0.000) 1.533 6.865 ( 0.000 -3.966 0.000) 3.966 6.874 ( 0.000 -2.967 0.000) 2.967 6.948 ( 0.000 -1.695 0.000) 1.695 7.111 ( 0.000 -5.622 0.000) 5.622 8.158 ( 0.000 -0.422 0.000) 0.422 8.162 ( 0.000 -0.380 0.000) 0.380======================= Grid point 19 (12/104) =======================q-point: ( 0.12 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.521 ( 10.670 11.392 -7.055) 17.129 0.701 ( 5.294 14.947 1.185) 15.901 1.078 ( 5.391 -5.228 -4.095) 8.553 1.242 ( 2.535 11.778 -0.443) 12.056 1.440 ( 3.918 8.250 3.883) 9.924 1.561 ( 4.878 -0.537 0.937) 4.997 1.823 ( -2.905 -4.261 -1.604) 5.401 1.912 ( -4.521 0.976 2.698) 5.355 1.962 ( 0.979 -0.006 0.686) 1.196 1.964 ( -3.419 -0.923 -0.370) 3.561 2.038 ( 1.842 -0.965 -1.288) 2.446 2.080 ( 2.352 1.085 -1.638) 3.065 2.114 ( 1.363 0.670 -0.169) 1.529 2.270 ( -0.649 1.305 0.573) 1.566 2.452 ( -3.316 3.006 0.564) 4.512 2.547 ( -0.233 -6.682 0.725) 6.725 2.576 ( -2.385 -5.544 0.360) 6.045 2.660 ( -0.488 3.356 1.032) 3.544 2.804 ( 1.685 11.761 0.788) 11.907 2.946 ( -1.243 -0.963 -0.333) 1.607 3.037 ( 3.138 -4.544 -1.320) 5.677 3.326 ( 0.866 4.343 2.356) 5.016 3.356 ( -1.426 -1.638 0.377) 2.204 3.447 ( -2.941 2.604 0.264) 3.937 3.541 ( -0.811 6.299 -0.542) 6.374 3.717 ( -0.275 2.551 -0.418) 2.600 3.857 ( -1.790 -2.598 -0.698) 3.231 4.167 ( 0.324 -8.843 -0.235) 8.853 4.712 ( 2.347 -1.947 -0.051) 3.050 4.808 ( 1.332 -0.896 0.099) 1.609 5.286 ( -2.674 -5.589 0.181) 6.198 5.373 ( 0.566 -4.652 0.040) 4.687 5.573 ( -0.472 3.663 -0.091) 3.694 5.659 ( 0.684 -2.433 -0.231) 2.538 6.146 ( -0.085 3.114 -0.044) 3.115 6.261 ( 2.574 1.187 -0.010) 2.834 6.427 ( -1.987 5.400 -0.088) 5.755 6.488 ( 1.035 5.713 -0.062) 5.807 6.598 ( -0.534 1.954 0.020) 2.026 6.673 ( -1.213 1.772 0.026) 2.147 6.728 ( -0.092 -0.674 -0.017) 0.680 6.785 ( -1.731 -2.043 0.151) 2.682 6.850 ( -0.011 -3.633 0.168) 3.637 6.900 ( 1.287 -2.543 -0.239) 2.861 6.947 ( -0.013 -2.121 -0.076) 2.123 7.113 ( 0.047 -5.894 0.046) 5.894 8.146 ( -0.216 -0.194 -1.461) 1.489 8.180 ( 0.781 -1.160 0.729) 1.577======================= Grid point 20 (13/104) =======================q-point: ( 0.25 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 170Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.721 ( 10.878 8.411 -5.027) 14.640 0.867 ( 10.199 7.520 -1.458) 12.755 1.210 ( 8.648 5.052 -3.070) 10.475 1.304 ( 3.882 1.086 0.117) 4.033 1.526 ( 2.279 6.276 1.410) 6.824 1.610 ( -0.391 -4.705 -0.180) 4.724 1.782 ( -6.557 -1.994 -3.060) 7.506 1.806 ( -0.507 -1.273 1.992) 2.417 1.888 ( -3.174 2.278 1.914) 4.351 2.010 ( 2.560 -1.662 1.816) 3.551 2.080 ( 1.183 2.035 -1.101) 2.598 2.130 ( 4.230 0.724 0.986) 4.404 2.170 ( 4.203 -0.329 -0.423) 4.237 2.234 ( -2.655 4.391 -1.397) 5.318 2.415 ( -0.412 5.968 2.163) 6.361 2.526 ( -1.048 -4.490 0.352) 4.625 2.555 ( -0.262 -4.187 0.100) 4.196 2.654 ( -0.515 4.657 1.835) 5.032 2.858 ( 2.040 8.545 1.428) 8.900 2.898 ( -2.548 1.806 -0.014) 3.123 3.104 ( 3.597 -6.748 -1.095) 7.725 3.264 ( -5.882 -1.454 0.587) 6.088 3.323 ( -6.048 -0.834 1.971) 6.416 3.410 ( 0.408 1.724 -0.474) 1.834 3.525 ( 0.439 5.078 -0.878) 5.172 3.712 ( -0.336 3.441 -0.498) 3.493 3.805 ( -2.760 0.002 -0.631) 2.831 4.167 ( -0.301 -7.890 -0.279) 7.901 4.768 ( 3.065 -1.620 -0.127) 3.469 4.844 ( 1.968 -1.337 0.081) 2.381 5.232 ( -2.458 -4.858 0.190) 5.448 5.376 ( -0.193 -5.597 0.080) 5.601 5.564 ( -0.319 3.544 -0.166) 3.563 5.672 ( 0.707 -3.425 -0.251) 3.507 6.154 ( 0.944 4.131 0.003) 4.237 6.326 ( 3.585 0.387 -0.067) 3.606 6.377 ( -2.739 5.917 -0.134) 6.522 6.506 ( 0.691 5.216 -0.111) 5.262 6.586 ( -0.614 2.893 0.078) 2.959 6.643 ( -1.686 1.066 0.018) 1.995 6.714 ( -1.490 -1.144 0.113) 1.882 6.757 ( -0.650 -1.857 0.219) 1.980 6.859 ( 0.585 -3.014 0.040) 3.071 6.919 ( 0.708 -2.138 0.047) 2.253 6.947 ( 0.008 -3.019 -0.282) 3.032 7.112 ( -0.135 -5.960 -0.010) 5.961 8.137 ( -0.105 -0.313 -1.202) 1.246 8.196 ( 0.516 -1.953 0.429) 2.065======================= Grid point 21 (14/104) =======================q-point: ( 0.38 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.878 ( 5.746 3.407 -2.234) 7.044 1.049 ( 8.402 4.873 -4.392) 10.660 1.305 ( 1.669 12.945 0.213) 13.054 1.441 ( 6.810 -4.077 1.408) 8.061 1.525 ( -3.139 -2.679 1.352) 4.342 1.582 ( -0.165 0.367 -1.631) 1.680 1.705 ( 2.575 -0.044 -3.037) 3.982 1.792 ( -2.091 -0.006 1.500) 2.573 1.856 ( -0.993 2.623 1.219) 3.058 2.029 ( -1.761 4.776 0.650) 5.131 2.097 ( 1.439 -3.806 0.448) 4.093 2.119 ( -5.417 5.137 0.199) 7.468 2.216 ( 1.007 1.085 -1.397) 2.035 2.312 ( 8.224 -0.767 1.746) 8.442 2.443 ( 1.010 2.391 0.601) 2.664 2.529 ( 1.149 0.399 -2.470) 2.753 2.559 ( 0.692 -1.752 1.619) 2.485 2.677 ( 2.120 2.219 3.025) 4.309 2.820 ( -2.295 2.131 0.792) 3.230 2.930 ( 2.153 7.262 1.335) 7.691 3.107 ( -6.460 -5.458 -0.174) 8.459 3.174 ( 0.028 -3.051 -0.727) 3.137 3.185 ( -6.184 -1.439 -0.945) 6.419 3.399 ( -1.004 2.173 0.782) 2.518 3.556 ( 2.183 3.480 -0.955) 4.217 3.684 ( -2.184 -0.725 -0.400) 2.335 3.762 ( -0.974 5.291 -0.163) 5.382 4.155 ( -0.633 -7.429 -0.133) 7.458 4.825 ( 2.368 -0.226 -0.106) 2.381 4.876 ( 0.917 -2.009 0.040) 2.209 5.200 ( -0.752 -4.942 0.041) 4.999 5.369 ( -0.504 -6.330 0.116) 6.351 5.558 ( -0.183 3.534 -0.137) 3.542 5.683 ( 0.441 -3.753 -0.129) 3.781 6.182 ( 1.717 4.671 0.042) 4.977 6.310 ( -3.064 4.018 -0.080) 5.054 6.406 ( 3.656 1.897 -0.168) 4.122 6.508 ( -0.716 4.445 -0.093) 4.503 6.578 ( -0.169 3.300 0.057) 3.305 6.609 ( -1.493 0.337 0.058) 1.532 6.687 ( -0.946 -1.287 0.270) 1.620 6.753 ( -0.117 -0.887 0.055) 0.896 6.868 ( 0.287 -2.642 -0.016) 2.658 6.931 ( 0.370 -2.341 0.425) 2.407 6.944 ( -0.053 -3.600 -0.540) 3.640 7.109 ( -0.095 -5.746 -0.029) 5.747 8.131 ( -0.053 -0.517 -0.662) 0.842 8.204 ( 0.209 -2.478 0.225) 2.497======================= Grid point 22 (15/104) =======================q-point: (-0.50 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 92Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.927 ( 0.000 1.091 0.000) 1.091 1.131 ( -0.000 4.585 0.000) 4.585 1.321 ( 0.000 11.595 -0.000) 11.595 1.478 ( 0.000 -2.264 0.000) 2.264 1.488 ( 0.000 -4.717 -0.000) 4.717 1.618 ( -0.000 1.407 0.000) 1.407 1.765 ( -0.000 -2.217 -0.000) 2.217 1.767 ( 0.000 6.486 0.000) 6.486 1.849 ( 0.000 0.788 0.000) 0.788 2.010 ( 0.000 5.343 -0.000) 5.343 2.021 ( 0.000 5.740 0.000) 5.740 2.119 ( 0.000 -1.802 0.000) 1.802 2.219 ( 0.000 0.601 0.000) 0.601 2.422 ( 0.000 -0.775 -0.000) 0.775 2.451 ( 0.000 0.840 0.000) 0.840 2.524 ( 0.000 -2.553 -0.000) 2.553 2.581 ( 0.000 -0.280 0.000) 0.280 2.704 ( -0.000 1.804 0.000) 1.804 2.845 ( -0.000 2.666 -0.000) 2.666 2.966 ( -0.000 -3.095 -0.000) 3.095 2.984 ( 0.000 6.965 0.000) 6.965 3.093 ( 0.000 -1.560 0.000) 1.560 3.190 ( 0.000 -5.439 -0.000) 5.439 3.391 ( 0.000 2.675 -0.000) 2.675 3.579 ( -0.000 4.757 -0.000) 4.757 3.653 ( 0.000 -3.482 0.000) 3.482 3.754 ( 0.000 6.500 0.000) 6.500 4.147 ( 0.000 -7.357 -0.000) 7.357 4.851 ( 0.000 1.144 0.000) 1.144 4.883 ( -0.000 -2.786 -0.000) 2.786 5.195 ( 0.000 -5.335 0.000) 5.335 5.363 ( 0.000 -6.555 0.000) 6.555 5.556 ( 0.000 3.647 -0.000) 3.647 5.688 ( 0.000 -3.788 0.000) 3.788 6.209 ( -0.000 5.286 0.000) 5.286 6.268 ( 0.000 3.678 -0.000) 3.678 6.465 ( 0.000 2.231 0.000) 2.231 6.478 ( -0.000 2.884 -0.000) 2.884 6.578 ( 0.000 2.916 0.000) 2.916 6.592 ( 0.000 1.015 0.000) 1.015 6.679 ( 0.000 -1.020 -0.000) 1.020 6.751 ( -0.000 -0.615 0.000) 0.615 6.871 ( -0.000 -2.535 0.000) 2.535 6.936 ( -0.000 -2.059 -0.000) 2.059 6.942 ( 0.000 -4.199 0.000) 4.199 7.108 ( 0.000 -5.630 0.000) 5.630 8.129 ( 0.000 -0.617 0.000) 0.617 8.207 ( 0.000 -2.667 -0.000) 2.667======================= Grid point 27 (16/104) =======================q-point: ( 0.00 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 104Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.655 ( 0.000 11.273 0.000) 11.273 0.859 ( 0.000 -9.597 0.000) 9.597 1.037 ( 0.000 19.304 0.000) 19.304 1.355 ( 0.000 -11.862 0.000) 11.862 1.468 ( 0.000 5.380 0.000) 5.380 1.528 ( 0.000 5.650 0.000) 5.650 1.786 ( 0.000 -2.526 0.000) 2.526 1.879 ( 0.000 -5.670 0.000) 5.670 1.975 ( 0.000 1.882 0.000) 1.882 1.999 ( 0.000 1.169 0.000) 1.169 2.007 ( 0.000 -1.748 0.000) 1.748 2.025 ( 0.000 -1.439 0.000) 1.439 2.205 ( 0.000 8.923 0.000) 8.923 2.323 ( 0.000 4.478 0.000) 4.478 2.405 ( 0.000 -9.363 0.000) 9.363 2.443 ( 0.000 -6.484 0.000) 6.484 2.562 ( 0.000 3.614 0.000) 3.614 2.645 ( 0.000 -3.367 0.000) 3.367 2.860 ( 0.000 1.776 0.000) 1.776 2.925 ( 0.000 -4.077 0.000) 4.077 3.167 ( 0.000 14.302 0.000) 14.302 3.335 ( 0.000 -3.139 0.000) 3.139 3.416 ( 0.000 3.709 0.000) 3.709 3.512 ( 0.000 -3.052 0.000) 3.052 3.644 ( 0.000 5.816 0.000) 5.816 3.781 ( 0.000 -6.512 0.000) 6.512 3.826 ( 0.000 8.520 0.000) 8.520 3.992 ( 0.000 -8.254 0.000) 8.254 4.677 ( 0.000 1.453 0.000) 1.453 4.741 ( 0.000 -4.154 0.000) 4.154 5.242 ( 0.000 -0.528 0.000) 0.528 5.282 ( 0.000 -3.844 0.000) 3.844 5.630 ( 0.000 1.435 0.000) 1.435 5.641 ( 0.000 -0.014 0.000) 0.014 6.196 ( 0.000 2.425 0.000) 2.425 6.234 ( 0.000 -1.148 0.000) 1.148 6.554 ( 0.000 4.930 0.000) 4.930 6.576 ( 0.000 3.150 0.000) 3.150 6.631 ( 0.000 1.487 0.000) 1.487 6.690 ( 0.000 -3.492 0.000) 3.492 6.734 ( 0.000 2.549 0.000) 2.549 6.772 ( 0.000 -0.964 0.000) 0.964 6.791 ( 0.000 -2.511 0.000) 2.511 6.811 ( 0.000 -3.096 0.000) 3.096 6.945 ( 0.000 1.477 0.000) 1.477 7.006 ( 0.000 -4.606 0.000) 4.606 8.153 ( 0.000 -0.049 0.000) 0.049 8.156 ( 0.000 -0.270 0.000) 0.270======================= Grid point 28 (17/104) =======================q-point: ( 0.12 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.740 ( 9.022 10.372 -5.424) 14.778 0.922 ( 6.756 -7.511 -4.222) 10.949 1.054 ( 1.701 17.916 0.903) 18.019 1.386 ( 2.012 -8.939 0.254) 9.166 1.437 ( 0.060 2.233 -0.602) 2.313 1.544 ( -0.098 -3.097 0.465) 3.134 1.776 ( -0.501 3.410 0.161) 3.450 1.871 ( -3.176 -4.188 -1.448) 5.451 1.973 ( -1.020 2.586 2.330) 3.627 2.001 ( -1.131 0.852 0.901) 1.679 2.022 ( 3.296 -0.101 0.724) 3.376 2.047 ( 3.030 -2.673 1.079) 4.182 2.200 ( -0.208 7.068 -0.730) 7.108 2.323 ( -0.032 4.173 -0.552) 4.209 2.378 ( -2.044 -9.190 -0.652) 9.437 2.442 ( -0.163 -6.778 -0.268) 6.785 2.569 ( 1.428 7.388 1.749) 7.725 2.688 ( 2.688 -2.699 2.149) 4.374 2.882 ( 1.485 0.330 0.165) 1.530 2.933 ( 0.494 -3.495 0.660) 3.591 3.148 ( -1.548 13.215 -0.243) 13.307 3.308 ( -2.513 -3.730 0.711) 4.554 3.383 ( -3.441 2.977 1.172) 4.699 3.469 ( -3.795 -3.507 -0.869) 5.240 3.644 ( 0.103 6.276 -0.396) 6.290 3.768 ( -1.198 -4.897 -0.407) 5.058 3.844 ( 1.661 7.724 -0.448) 7.914 4.005 ( 1.182 -7.933 -0.324) 8.027 4.697 ( 1.870 1.006 -0.097) 2.125 4.754 ( 1.249 -4.005 -0.051) 4.196 5.226 ( -1.541 0.022 0.208) 1.555 5.276 ( -0.701 -4.463 0.116) 4.519 5.625 ( -0.398 1.586 -0.078) 1.638 5.640 ( 0.008 -0.279 -0.127) 0.306 6.207 ( 1.008 2.971 -0.107) 3.139 6.254 ( 1.867 -1.632 -0.096) 2.482 6.542 ( -1.214 5.885 -0.120) 6.010 6.580 ( 0.294 2.711 -0.057) 2.727 6.627 ( -0.330 0.921 0.083) 0.982 6.683 ( -1.060 -4.205 0.054) 4.337 6.721 ( -0.724 1.881 0.195) 2.025 6.744 ( -2.027 -0.403 0.075) 2.068 6.799 ( 0.843 -1.112 -0.092) 1.399 6.833 ( 1.195 -3.696 -0.375) 3.903 6.943 ( -0.152 1.588 0.056) 1.596 7.005 ( -0.072 -4.627 0.041) 4.627 8.147 ( -0.267 0.341 -0.506) 0.666 8.159 ( 0.083 -0.856 0.278) 0.904======================= Grid point 29 (18/104) =======================q-point: ( 0.25 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 170Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.917 ( 9.307 9.771 -5.565) 14.597 1.029 ( 5.152 3.772 -3.615) 7.338 1.164 ( 9.383 2.245 0.378) 9.655 1.394 ( -1.581 -13.858 0.650) 13.963 1.474 ( 4.249 8.924 1.823) 10.051 1.594 ( 2.492 -1.429 1.012) 3.046 1.744 ( -2.816 -1.480 -1.373) 3.465 1.758 ( -3.634 -2.425 -0.794) 4.440 1.947 ( -2.578 2.761 2.011) 4.280 1.990 ( -0.856 -1.349 1.208) 2.003 2.105 ( 3.741 2.422 0.998) 4.567 2.145 ( 5.032 -0.909 1.027) 5.215 2.193 ( 0.082 4.461 -0.818) 4.536 2.316 ( 0.130 3.928 -1.588) 4.238 2.340 ( -0.888 -7.636 -1.476) 7.828 2.439 ( 0.344 -6.753 -1.302) 6.886 2.640 ( 3.710 9.755 3.644) 11.055 2.737 ( 0.387 1.728 2.972) 3.460 2.893 ( -1.236 -0.238 0.693) 1.437 2.949 ( 1.184 -5.854 0.867) 6.035 3.119 ( -0.758 10.887 -0.988) 10.958 3.236 ( -5.174 -2.013 -1.162) 5.672 3.303 ( -5.047 0.497 1.853) 5.399 3.379 ( -3.582 -4.826 -0.042) 6.010 3.643 ( -0.002 5.796 -0.420) 5.811 3.730 ( -2.272 -2.596 -0.466) 3.481 3.875 ( 1.294 7.344 -0.382) 7.467 4.024 ( 0.553 -7.180 -0.364) 7.211 4.746 ( 2.855 0.120 -0.188) 2.864 4.788 ( 1.959 -3.648 -0.073) 4.141 5.190 ( -1.816 0.911 0.268) 2.049 5.257 ( -1.115 -5.437 0.211) 5.554 5.617 ( -0.237 1.867 -0.160) 1.889 5.641 ( 0.141 -0.788 -0.169) 0.819 6.234 ( 1.684 3.873 -0.117) 4.225 6.299 ( 2.356 -2.593 -0.148) 3.506 6.505 ( -2.204 6.575 -0.115) 6.935 6.583 ( -0.324 1.354 -0.142) 1.399 6.622 ( -0.324 0.250 0.065) 0.414 6.645 ( -1.923 -2.285 0.335) 3.005 6.710 ( -1.142 1.184 0.066) 1.646 6.718 ( 0.069 -0.108 0.010) 0.129 6.813 ( 0.584 -1.118 -0.139) 1.269 6.847 ( 0.484 -4.052 -0.358) 4.096 6.941 ( -0.084 1.799 0.085) 1.803 7.004 ( -0.008 -4.576 0.046) 4.576 8.139 ( -0.318 0.601 -0.434) 0.807 8.160 ( -0.075 -1.523 0.164) 1.534======================= Grid point 30 (19/104) =======================q-point: ( 0.38 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.013 ( 2.593 9.177 -0.878) 9.577 1.132 ( 5.697 0.653 -3.607) 6.774 1.344 ( 4.916 -3.179 1.980) 6.180 1.397 ( 1.852 -5.668 0.656) 5.999 1.518 ( -1.206 5.911 -1.311) 6.174 1.582 ( -0.838 -1.180 -2.656) 3.025 1.725 ( 4.824 2.548 1.378) 5.626 1.781 ( -0.241 -1.892 2.890) 3.462 1.916 ( -0.412 3.103 1.538) 3.488 1.993 ( 1.459 -5.032 1.849) 5.556 2.144 ( 0.347 6.288 0.609) 6.327 2.182 ( -1.778 1.764 -0.917) 2.667 2.218 ( 0.550 0.023 0.039) 0.551 2.331 ( 0.540 -7.893 -1.108) 7.989 2.346 ( 4.333 3.449 -1.633) 5.774 2.447 ( 1.304 -5.764 -2.523) 6.425 2.704 ( 0.026 7.206 1.678) 7.398 2.742 ( -0.254 2.917 2.398) 3.785 2.862 ( -0.599 2.987 1.288) 3.307 2.969 ( -1.632 -7.200 0.261) 7.388 3.086 ( -2.062 4.145 -0.848) 4.706 3.123 ( -4.078 -1.609 -1.160) 4.535 3.210 ( -3.079 5.492 0.542) 6.320 3.352 ( -0.241 -6.267 1.008) 6.352 3.640 ( -0.024 3.926 -0.273) 3.936 3.681 ( -2.179 -0.326 -0.205) 2.213 3.890 ( 0.391 7.195 -0.175) 7.208 4.024 ( -0.249 -6.339 -0.201) 6.347 4.800 ( 2.308 -1.005 -0.181) 2.524 4.821 ( 1.183 -2.973 -0.052) 3.201 5.163 ( -0.898 1.400 0.157) 1.671 5.239 ( -0.729 -5.852 0.229) 5.902 5.614 ( -0.022 2.099 -0.138) 2.104 5.644 ( 0.178 -1.183 -0.124) 1.203 6.270 ( 1.936 4.098 -0.064) 4.533 6.332 ( 0.502 -1.758 -0.146) 1.834 6.470 ( -0.668 4.659 -0.071) 4.707 6.546 ( -2.828 -1.772 -0.004) 3.337 6.619 ( 0.196 1.304 0.093) 1.322 6.635 ( 0.126 1.161 0.149) 1.178 6.693 ( -0.607 1.780 0.032) 1.881 6.721 ( 0.103 -1.403 -0.006) 1.407 6.820 ( 0.162 -1.312 -0.107) 1.327 6.852 ( 0.208 -4.102 -0.220) 4.113 6.940 ( -0.025 1.993 0.066) 1.994 7.005 ( 0.050 -4.490 0.027) 4.491 8.132 ( -0.230 0.702 -0.244) 0.778 8.159 ( -0.117 -1.982 0.083) 1.987======================= Grid point 31 (20/104) =======================q-point: (-0.50 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 92Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.037 ( 0.000 9.019 0.000) 9.019 1.188 ( 0.000 -2.231 -0.000) 2.231 1.369 ( 0.000 -2.343 0.000) 2.343 1.414 ( 0.000 -3.990 -0.000) 3.990 1.509 ( 0.000 5.949 0.000) 5.949 1.591 ( 0.000 -2.869 0.000) 2.869 1.761 ( 0.000 1.461 -0.000) 1.461 1.794 ( 0.000 -1.362 0.000) 1.362 1.953 ( -0.000 5.743 0.000) 5.743 2.028 ( 0.000 -2.205 0.000) 2.205 2.131 ( 0.000 2.550 0.000) 2.550 2.148 ( 0.000 6.242 0.000) 6.242 2.205 ( 0.000 -0.739 -0.000) 0.739 2.337 ( 0.000 -8.631 -0.000) 8.631 2.412 ( -0.000 0.697 -0.000) 0.697 2.456 ( 0.000 -3.465 -0.000) 3.465 2.698 ( 0.000 5.842 0.000) 5.842 2.740 ( 0.000 0.999 0.000) 0.999 2.879 ( -0.000 1.328 -0.000) 1.328 2.912 ( 0.000 -2.214 0.000) 2.214 3.052 ( 0.000 0.471 0.000) 0.471 3.092 ( -0.000 -3.881 -0.000) 3.881 3.189 ( 0.000 9.523 0.000) 9.523 3.354 ( 0.000 -6.366 -0.000) 6.366 3.644 ( 0.000 1.752 0.000) 1.752 3.651 ( -0.000 1.797 -0.000) 1.797 3.892 ( 0.000 7.160 0.000) 7.160 4.019 ( 0.000 -5.983 -0.000) 5.983 4.826 ( 0.000 -2.038 -0.000) 2.038 4.831 ( -0.000 -2.153 0.000) 2.153 5.155 ( 0.000 1.487 0.000) 1.487 5.232 ( 0.000 -5.833 -0.000) 5.833 5.614 ( 0.000 2.189 -0.000) 2.189 5.646 ( 0.000 -1.322 0.000) 1.322 6.302 ( -0.000 3.414 0.000) 3.414 6.321 ( 0.000 1.346 -0.000) 1.346 6.480 ( 0.000 0.547 0.000) 0.547 6.500 ( -0.000 -0.739 0.000) 0.739 6.622 ( 0.000 1.749 -0.000) 1.749 6.638 ( 0.000 1.466 0.000) 1.466 6.687 ( 0.000 1.857 -0.000) 1.857 6.722 ( 0.000 -1.753 0.000) 1.753 6.821 ( 0.000 -1.334 0.000) 1.334 6.854 ( 0.000 -4.113 0.000) 4.113 6.940 ( 0.000 2.079 0.000) 2.079 7.006 ( 0.000 -4.461 0.000) 4.461 8.129 ( 0.000 0.722 0.000) 0.722 8.158 ( 0.000 -2.143 -0.000) 2.143======================= Grid point 63 (21/104) =======================q-point: ( 0.00 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 96Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.186 ( 1.314 0.000 9.005) 9.100 0.357 ( 17.661 0.000 18.076) 25.272 0.437 ( -11.523 0.000 21.624) 24.503 1.205 ( -5.803 0.000 -3.402) 6.727 1.390 ( 4.531 0.000 4.990) 6.740 1.417 ( -4.907 0.000 1.569) 5.152 1.792 ( 0.545 0.000 -1.186) 1.305 1.866 ( 1.386 0.000 -3.624) 3.880 1.929 ( 2.293 0.000 -0.792) 2.426 1.938 ( -0.750 0.000 0.463) 0.881 1.979 ( -1.258 0.000 0.345) 1.304 2.118 ( -0.178 0.000 1.985) 1.993 2.136 ( -4.380 0.000 1.031) 4.500 2.399 ( 0.432 0.000 -1.798) 1.849 2.418 ( 3.589 0.000 -3.905) 5.304 2.570 ( -2.243 0.000 -1.615) 2.763 2.660 ( -2.042 0.000 -1.749) 2.688 2.679 ( 1.506 0.000 -0.526) 1.595 2.891 ( 0.172 0.000 0.005) 0.172 2.921 ( 0.688 0.000 0.172) 0.709 3.032 ( 1.239 0.000 -2.348) 2.655 3.094 ( -2.347 0.000 -0.420) 2.384 3.180 ( 3.554 0.000 -0.577) 3.600 3.440 ( 6.619 0.000 3.816) 7.641 3.492 ( 2.388 0.000 -1.414) 2.775 3.664 ( -0.075 0.000 -0.793) 0.797 3.962 ( -0.856 0.000 0.672) 1.089 4.438 ( -0.158 0.000 -0.346) 0.380 4.753 ( 0.178 0.000 -0.257) 0.312 4.754 ( -0.160 0.000 0.887) 0.902 5.402 ( 0.026 0.000 -0.088) 0.092 5.416 ( -0.240 0.000 0.546) 0.597 5.594 ( 0.694 0.000 -0.493) 0.851 5.746 ( -0.478 0.000 -0.485) 0.681 6.004 ( -0.048 0.000 0.270) 0.274 6.152 ( -0.008 0.000 -0.194) 0.194 6.278 ( 0.012 0.000 0.027) 0.030 6.348 ( 0.042 0.000 0.009) 0.043 6.561 ( -0.044 0.000 -0.050) 0.067 6.681 ( -1.203 0.000 0.222) 1.223 6.733 ( -0.071 0.000 0.336) 0.343 6.839 ( 0.154 0.000 -0.018) 0.155 6.932 ( -0.070 0.000 0.426) 0.432 6.939 ( 0.119 0.000 -0.026) 0.121 7.025 ( -0.192 0.000 0.259) 0.322 7.246 ( 1.277 0.000 -0.269) 1.305 8.169 ( -0.519 0.000 -0.352) 0.627 8.302 ( -9.533 0.000 -0.006) 9.533======================= Grid point 64 (22/104) =======================q-point: ( 0.12 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 96Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.330 ( -2.135 0.000 15.316) 15.464 0.389 ( 11.444 0.000 3.684) 12.022 0.864 ( 18.127 0.000 8.810) 20.155 1.096 ( -3.226 0.000 -0.809) 3.326 1.368 ( 1.910 0.000 -1.123) 2.216 1.476 ( 2.161 0.000 2.612) 3.390 1.787 ( -0.528 0.000 -0.623) 0.816 1.871 ( 0.291 0.000 -1.219) 1.253 1.908 ( -2.256 0.000 0.124) 2.259 1.937 ( -0.121 0.000 -2.380) 2.384 2.059 ( 0.127 0.000 3.422) 3.425 2.072 ( 3.825 0.000 1.852) 4.250 2.117 ( -1.175 0.000 1.997) 2.317 2.274 ( -5.109 0.000 1.444) 5.309 2.387 ( -0.828 0.000 -2.978) 3.091 2.483 ( -4.222 0.000 -0.486) 4.250 2.648 ( -1.385 0.000 -1.217) 1.843 2.702 ( 0.689 0.000 -0.581) 0.901 2.832 ( -4.532 0.000 -0.531) 4.563 2.990 ( 5.252 0.000 0.160) 5.255 3.088 ( 0.752 0.000 -1.665) 1.827 3.115 ( 5.596 0.000 -0.980) 5.681 3.257 ( 4.196 0.000 -0.608) 4.240 3.470 ( -3.207 0.000 0.434) 3.236 3.560 ( 0.071 0.000 -3.878) 3.879 3.638 ( -1.906 0.000 -0.971) 2.139 3.906 ( -4.179 0.000 0.740) 4.244 4.430 ( -0.560 0.000 -1.078) 1.215 4.756 ( 0.211 0.000 -0.181) 0.278 4.791 ( 3.044 0.000 0.771) 3.141 5.413 ( -0.282 0.000 0.535) 0.605 5.417 ( 1.369 0.000 -0.196) 1.383 5.533 ( -4.800 0.000 -1.044) 4.912 5.823 ( 5.697 0.000 -0.882) 5.765 6.013 ( 0.734 0.000 0.235) 0.771 6.150 ( -0.053 0.000 -0.208) 0.215 6.279 ( 0.081 0.000 0.009) 0.082 6.353 ( 0.489 0.000 0.052) 0.492 6.546 ( -1.233 0.000 -0.037) 1.233 6.655 ( -1.215 0.000 0.783) 1.445 6.736 ( 0.191 0.000 0.351) 0.400 6.825 ( -1.488 0.000 0.230) 1.505 6.929 ( -0.339 0.000 0.420) 0.540 6.954 ( 1.285 0.000 -0.015) 1.285 7.030 ( 0.443 0.000 0.188) 0.481 7.266 ( 0.293 0.000 -1.057) 1.097 8.122 ( -1.334 0.000 -0.236) 1.354 8.242 ( 0.483 0.000 2.202) 2.254======================= Grid point 65 (23/104) =======================q-point: ( 0.25 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 96Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.483 ( 11.971 0.000 0.658) 11.989 0.620 ( 10.395 0.000 0.460) 10.405 1.065 ( 4.411 0.000 -6.603) 7.941 1.092 ( 2.231 0.000 3.041) 3.771 1.499 ( -0.361 0.000 -0.549) 0.657 1.548 ( 12.202 0.000 0.180) 12.204 1.763 ( -2.329 0.000 1.435) 2.736 1.853 ( -3.885 0.000 0.623) 3.935 1.862 ( -1.663 0.000 -0.800) 1.845 1.881 ( -2.573 0.000 2.297) 3.449 2.063 ( 0.462 0.000 2.653) 2.693 2.065 ( -5.060 0.000 1.297) 5.223 2.227 ( 7.690 0.000 0.297) 7.696 2.273 ( 3.676 0.000 2.463) 4.424 2.342 ( -1.109 0.000 -3.403) 3.579 2.431 ( -1.486 0.000 1.295) 1.971 2.630 ( -0.081 0.000 2.400) 2.401 2.708 ( 0.352 0.000 -0.722) 0.804 2.762 ( -1.548 0.000 1.159) 1.933 3.080 ( -1.346 0.000 -1.630) 2.114 3.101 ( 5.102 0.000 0.015) 5.102 3.209 ( 2.695 0.000 1.167) 2.936 3.306 ( -0.998 0.000 -1.429) 1.743 3.389 ( -4.679 0.000 2.044) 5.106 3.479 ( -2.636 0.000 -5.945) 6.503 3.591 ( -1.911 0.000 -1.194) 2.253 3.818 ( -4.284 0.000 0.054) 4.284 4.411 ( -0.755 0.000 -0.738) 1.056 4.756 ( -0.170 0.000 -0.138) 0.219 4.862 ( 3.274 0.000 0.537) 3.318 5.411 ( -0.193 0.000 0.627) 0.656 5.433 ( -1.534 0.000 -0.725) 1.697 5.458 ( -0.051 0.000 -0.401) 0.405 5.913 ( 3.169 0.000 -0.533) 3.214 6.030 ( 0.751 0.000 0.144) 0.765 6.148 ( -0.086 0.000 -0.187) 0.206 6.282 ( 0.268 0.000 -0.036) 0.270 6.367 ( 0.828 0.000 0.088) 0.832 6.524 ( -0.599 0.000 -0.160) 0.620 6.633 ( -1.309 0.000 0.414) 1.373 6.743 ( 0.258 0.000 0.390) 0.468 6.788 ( -2.224 0.000 0.347) 2.251 6.923 ( -0.458 0.000 0.366) 0.586 6.985 ( 1.711 0.000 -0.042) 1.711 7.038 ( 0.134 0.000 0.116) 0.177 7.259 ( -0.440 0.000 -0.484) 0.654 8.119 ( 0.849 0.000 -0.939) 1.266 8.264 ( 0.609 0.000 1.419) 1.544======================= Grid point 66 (24/104) =======================q-point: ( 0.38 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 96Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.763 ( 15.454 0.000 -3.605) 15.869 0.815 ( 8.500 0.000 1.011) 8.560 1.123 ( 5.315 0.000 -5.972) 7.994 1.178 ( 3.329 0.000 3.691) 4.970 1.464 ( -1.636 0.000 -3.854) 4.187 1.696 ( 3.555 0.000 -4.488) 5.725 1.705 ( -4.205 0.000 3.994) 5.799 1.741 ( -5.863 0.000 1.319) 6.009 1.847 ( 0.506 0.000 -1.259) 1.357 1.882 ( -0.377 0.000 4.245) 4.262 1.952 ( -5.406 0.000 0.765) 5.460 2.101 ( 2.546 0.000 1.815) 3.127 2.301 ( -0.786 0.000 1.854) 2.014 2.327 ( 0.557 0.000 -1.985) 2.062 2.416 ( -0.890 0.000 1.411) 1.668 2.429 ( 8.454 0.000 2.151) 8.724 2.687 ( 3.742 0.000 3.098) 4.858 2.712 ( 0.388 0.000 -0.804) 0.893 2.796 ( 3.161 0.000 2.071) 3.779 2.986 ( -7.011 0.000 -0.751) 7.051 3.144 ( -8.257 0.000 -1.541) 8.399 3.178 ( 2.357 0.000 -0.115) 2.360 3.242 ( -5.894 0.000 1.452) 6.070 3.329 ( 2.967 0.000 -0.989) 3.127 3.471 ( 0.939 0.000 -2.431) 2.606 3.561 ( -0.404 0.000 -1.378) 1.436 3.759 ( -1.084 0.000 -0.888) 1.401 4.396 ( -0.479 0.000 -0.454) 0.660 4.749 ( -0.402 0.000 -0.165) 0.435 4.913 ( 1.516 0.000 0.174) 1.526 5.409 ( 0.357 0.000 -0.366) 0.511 5.411 ( -0.099 0.000 0.756) 0.763 5.469 ( 0.246 0.000 -0.484) 0.543 5.944 ( 0.391 0.000 -0.071) 0.397 6.041 ( 0.285 0.000 0.081) 0.296 6.146 ( -0.001 0.000 -0.167) 0.167 6.288 ( 0.255 0.000 -0.064) 0.263 6.384 ( 0.722 0.000 0.083) 0.726 6.530 ( 1.320 0.000 -0.276) 1.349 6.607 ( -1.404 0.000 0.211) 1.420 6.743 ( -2.158 0.000 0.077) 2.159 6.749 ( 0.092 0.000 0.439) 0.449 6.916 ( -0.340 0.000 0.290) 0.447 7.016 ( 1.217 0.000 -0.205) 1.234 7.036 ( -0.245 0.000 0.145) 0.284 7.250 ( -0.208 0.000 -0.163) 0.264 8.138 ( 1.158 0.000 -0.422) 1.233 8.278 ( 0.159 0.000 0.954) 0.967======================= Grid point 67 (25/104) =======================q-point: (-0.50 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 96Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.939 ( 1.862 0.000 3.192) 3.695 0.999 ( 7.154 0.000 -3.802) 8.102 1.193 ( -3.846 0.000 0.439) 3.871 1.227 ( 5.876 0.000 0.945) 5.952 1.438 ( 1.821 0.000 -4.188) 4.567 1.655 ( -1.714 0.000 -0.279) 1.737 1.662 ( -1.413 0.000 4.601) 4.813 1.714 ( -0.425 0.000 1.161) 1.236 1.861 ( 1.202 0.000 -0.517) 1.309 1.896 ( -0.190 0.000 0.905) 0.924 1.898 ( 0.778 0.000 0.876) 1.171 2.165 ( 2.554 0.000 -0.640) 2.633 2.245 ( -4.662 0.000 3.994) 6.139 2.337 ( 1.126 0.000 -1.383) 1.783 2.408 ( -0.518 0.000 1.531) 1.617 2.540 ( -1.028 0.000 -0.077) 1.031 2.670 ( -9.145 0.000 -2.767) 9.554 2.715 ( 0.182 0.000 -0.819) 0.840 2.763 ( -2.787 0.000 -2.151) 3.521 2.918 ( -0.183 0.000 1.510) 1.521 3.074 ( 5.254 0.000 1.501) 5.465 3.191 ( -0.790 0.000 1.238) 1.469 3.194 ( -0.515 0.000 -0.456) 0.688 3.377 ( 1.199 0.000 0.769) 1.425 3.481 ( 1.542 0.000 -0.289) 1.569 3.559 ( 0.651 0.000 -1.282) 1.437 3.752 ( 0.453 0.000 -1.631) 1.693 4.391 ( 0.217 0.000 -0.337) 0.401 4.743 ( -0.077 0.000 -0.244) 0.256 4.928 ( 0.098 0.000 0.030) 0.103 5.413 ( -0.100 0.000 0.852) 0.858 5.421 ( -0.181 0.000 -0.099) 0.207 5.467 ( 0.437 0.000 -0.469) 0.641 5.946 ( 0.113 0.000 0.119) 0.164 6.044 ( 0.025 0.000 0.087) 0.090 6.146 ( 0.042 0.000 -0.165) 0.170 6.290 ( 0.009 0.000 -0.071) 0.072 6.392 ( -0.059 0.000 0.048) 0.077 6.561 ( 0.528 0.000 0.077) 0.533 6.581 ( -0.300 0.000 -0.072) 0.308 6.713 ( -0.457 0.000 -0.410) 0.614 6.750 ( -0.114 0.000 0.461) 0.475 6.913 ( -0.082 0.000 0.244) 0.257 7.018 ( -0.582 0.000 -0.527) 0.786 7.042 ( 0.502 0.000 0.354) 0.615 7.249 ( 0.128 0.000 0.008) 0.128 8.158 ( 0.843 0.000 0.197) 0.866 8.280 ( -0.245 0.000 0.777) 0.815======================= Grid point 68 (26/104) =======================q-point: (-0.38 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 96Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.885 ( -9.367 0.000 3.421) 9.972 0.985 ( -7.107 0.000 3.059) 7.737 1.104 ( -1.981 0.000 0.281) 2.001 1.279 ( -3.504 0.000 -3.002) 4.614 1.462 ( 0.802 0.000 -2.487) 2.613 1.658 ( 1.592 0.000 -2.207) 2.722 1.689 ( 1.939 0.000 2.255) 2.974 1.728 ( -0.365 0.000 1.569) 1.611 1.887 ( -1.946 0.000 2.741) 3.362 1.888 ( 1.364 0.000 0.611) 1.495 1.950 ( 4.657 0.000 0.674) 4.705 2.138 ( -1.836 0.000 1.200) 2.193 2.251 ( -0.190 0.000 4.759) 4.762 2.354 ( 1.099 0.000 -1.569) 1.915 2.370 ( -9.617 0.000 0.338) 9.622 2.416 ( 0.716 0.000 1.892) 2.022 2.496 ( -5.280 0.000 -7.086) 8.837 2.711 ( -0.119 0.000 -0.848) 0.857 2.723 ( 1.367 0.000 0.206) 1.383 3.022 ( 5.349 0.000 0.853) 5.417 3.153 ( 3.397 0.000 -2.598) 4.277 3.156 ( -2.947 0.000 -0.810) 3.056 3.223 ( 1.821 0.000 2.886) 3.412 3.379 ( -1.402 0.000 0.194) 1.415 3.529 ( 2.459 0.000 -0.629) 2.538 3.573 ( 1.346 0.000 -0.989) 1.670 3.765 ( 2.058 0.000 -0.719) 2.180 4.402 ( 1.014 0.000 -0.274) 1.050 4.744 ( 0.339 0.000 -0.312) 0.461 4.916 ( -1.640 0.000 0.282) 1.664 5.407 ( -0.051 0.000 -0.453) 0.455 5.415 ( -0.129 0.000 0.869) 0.879 5.475 ( -0.117 0.000 -0.276) 0.300 5.951 ( -0.005 0.000 0.122) 0.122 6.042 ( -0.313 0.000 0.121) 0.335 6.147 ( 0.121 0.000 -0.150) 0.193 6.288 ( -0.246 0.000 -0.074) 0.257 6.383 ( -0.807 0.000 0.024) 0.808 6.533 ( -1.509 0.000 -0.185) 1.521 6.609 ( 1.513 0.000 0.250) 1.533 6.728 ( 1.981 0.000 -0.384) 2.018 6.748 ( -0.302 0.000 0.433) 0.528 6.915 ( 0.175 0.000 0.259) 0.313 6.999 ( -1.111 0.000 -0.502) 1.219 7.049 ( 0.046 0.000 0.323) 0.327 7.254 ( 0.344 0.000 -0.036) 0.346 8.172 ( 0.361 0.000 0.307) 0.474 8.278 ( -0.361 0.000 1.293) 1.343======================= Grid point 69 (27/104) =======================q-point: (-0.25 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 96Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.640 ( -14.592 0.000 1.122) 14.635 0.780 ( -15.076 0.000 4.032) 15.606 1.012 ( -18.819 0.000 -4.152) 19.271 1.136 ( 3.271 0.000 4.839) 5.841 1.431 ( -2.543 0.000 -2.794) 3.778 1.627 ( -5.893 0.000 4.637) 7.498 1.734 ( 4.023 0.000 -2.745) 4.870 1.738 ( 2.162 0.000 0.044) 2.163 1.911 ( 1.956 0.000 1.933) 2.751 1.918 ( 1.068 0.000 1.139) 1.561 2.051 ( 4.149 0.000 0.660) 4.201 2.112 ( -4.870 0.000 0.603) 4.907 2.191 ( -5.904 0.000 2.679) 6.484 2.206 ( -2.677 0.000 -0.573) 2.737 2.371 ( 1.447 0.000 -1.736) 2.260 2.458 ( 2.723 0.000 1.634) 3.176 2.541 ( 7.801 0.000 0.403) 7.811 2.703 ( -0.352 0.000 -0.950) 1.013 2.769 ( 2.718 0.000 0.751) 2.820 3.070 ( -4.964 0.000 -0.900) 5.045 3.084 ( 1.985 0.000 -1.494) 2.485 3.225 ( 1.003 0.000 0.578) 1.157 3.254 ( 0.496 0.000 -2.887) 2.929 3.324 ( -0.840 0.000 -0.776) 1.144 3.549 ( 0.218 0.000 -2.368) 2.378 3.606 ( 2.259 0.000 -0.739) 2.377 3.837 ( 4.456 0.000 0.706) 4.511 4.425 ( 1.269 0.000 -0.395) 1.329 4.750 ( 0.294 0.000 -0.335) 0.446 4.861 ( -3.782 0.000 0.585) 3.827 5.416 ( -0.118 0.000 0.795) 0.803 5.434 ( 1.968 0.000 -0.736) 2.101 5.461 ( 0.124 0.000 -0.320) 0.343 5.925 ( -2.956 0.000 -0.202) 2.963 6.031 ( -0.884 0.000 0.164) 0.899 6.150 ( 0.214 0.000 -0.131) 0.250 6.282 ( -0.259 0.000 -0.061) 0.266 6.365 ( -0.845 0.000 0.011) 0.845 6.522 ( 0.602 0.000 -0.246) 0.651 6.638 ( 1.280 0.000 0.580) 1.405 6.743 ( -0.435 0.000 0.383) 0.580 6.776 ( 2.606 0.000 0.020) 2.606 6.922 ( 0.296 0.000 0.321) 0.437 6.971 ( -1.352 0.000 -0.424) 1.417 7.047 ( -0.459 0.000 0.336) 0.569 7.260 ( 0.287 0.000 -0.403) 0.494 8.174 ( -0.098 0.000 -0.388) 0.400 8.287 ( 0.546 0.000 3.035) 3.084======================= Grid point 70 (28/104) =======================q-point: (-0.12 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 96Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.345 ( -14.726 0.000 2.736) 14.978 0.373 ( -22.422 0.000 -5.691) 23.133 0.664 ( -17.126 0.000 15.349) 22.997 1.254 ( 5.119 0.000 5.828) 7.757 1.340 ( -4.702 0.000 -3.391) 5.797 1.520 ( -6.723 0.000 5.163) 8.477 1.775 ( 1.635 0.000 -0.957) 1.895 1.811 ( 4.835 0.000 -3.607) 6.032 1.937 ( 0.368 0.000 0.881) 0.954 1.948 ( -2.612 0.000 -0.499) 2.659 2.041 ( 1.472 0.000 2.776) 3.142 2.098 ( -0.936 0.000 5.312) 5.394 2.106 ( 0.976 0.000 1.359) 1.673 2.208 ( 0.860 0.000 -1.360) 1.609 2.391 ( 1.151 0.000 -1.678) 2.035 2.538 ( 4.229 0.000 0.347) 4.243 2.686 ( -0.919 0.000 -1.145) 1.468 2.687 ( 4.698 0.000 0.656) 4.743 2.838 ( 3.772 0.000 -0.199) 3.777 2.966 ( -4.415 0.000 -0.501) 4.444 3.100 ( -2.199 0.000 -1.211) 2.511 3.148 ( -2.593 0.000 -4.842) 5.493 3.198 ( -3.082 0.000 0.417) 3.110 3.414 ( 5.877 0.000 -2.155) 6.260 3.500 ( -4.652 0.000 -3.679) 5.931 3.648 ( 1.892 0.000 -0.683) 2.011 3.924 ( 3.271 0.000 1.479) 3.590 4.442 ( 0.563 0.000 -0.850) 1.020 4.752 ( 0.077 0.000 -0.316) 0.325 4.788 ( -3.313 0.000 0.805) 3.409 5.417 ( -1.314 0.000 -0.177) 1.326 5.417 ( -0.140 0.000 0.660) 0.675 5.535 ( 5.028 0.000 -1.440) 5.230 5.833 ( -5.572 0.000 -0.571) 5.601 6.013 ( -0.857 0.000 0.228) 0.887 6.152 ( 0.085 0.000 -0.152) 0.174 6.278 ( -0.055 0.000 -0.012) 0.056 6.352 ( -0.441 0.000 -0.001) 0.441 6.545 ( 1.417 0.000 -0.088) 1.419 6.668 ( 1.326 0.000 0.890) 1.597 6.736 ( -0.343 0.000 0.347) 0.487 6.822 ( 1.669 0.000 0.082) 1.671 6.928 ( 0.191 0.000 0.387) 0.432 6.946 ( -0.791 0.000 -0.278) 0.838 7.035 ( -0.767 0.000 0.316) 0.830 7.256 ( -0.589 0.000 -1.003) 1.163 8.168 ( -0.019 0.000 -0.594) 0.595 8.338 ( 2.890 0.000 3.396) 4.459======================= Grid point 71 (29/104) =======================q-point: ( 0.00 0.14 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.360 ( 4.425 7.857 9.764) 13.291 0.477 ( -11.575 5.890 17.413) 21.723 0.712 ( 4.125 27.710 3.269) 28.205 1.179 ( -2.925 -3.360 0.634) 4.500 1.380 ( -0.300 1.688 3.899) 4.259 1.482 ( -0.113 3.495 1.562) 3.830 1.836 ( -0.670 2.299 -2.311) 3.328 1.878 ( 1.758 1.059 -3.599) 4.143 1.914 ( 2.251 0.037 -1.681) 2.810 1.992 ( -1.930 1.858 -0.330) 2.699 2.028 ( 0.956 3.644 2.673) 4.619 2.073 ( -2.129 -0.480 2.655) 3.437 2.172 ( -2.440 -0.318 -0.127) 2.464 2.266 ( 2.970 -3.096 0.606) 4.333 2.429 ( -0.141 3.532 -1.001) 3.674 2.619 ( -0.238 1.592 -0.817) 1.805 2.635 ( 0.092 -1.813 -1.087) 2.116 2.687 ( -0.063 -5.264 0.384) 5.279 2.776 ( 0.836 -7.693 -2.151) 8.032 2.963 ( -0.268 2.653 -5.245) 5.884 3.045 ( -3.280 -3.619 -0.722) 4.937 3.111 ( 3.741 6.333 -1.961) 7.612 3.314 ( 1.005 10.719 -0.168) 10.768 3.417 ( 1.972 -1.417 3.982) 4.664 3.486 ( 1.965 -0.374 -1.549) 2.530 3.699 ( -0.343 1.647 -1.207) 2.070 3.935 ( -1.013 -1.910 1.221) 2.483 4.341 ( -0.117 -8.444 -0.420) 8.455 4.732 ( -0.180 -1.875 0.706) 2.011 4.778 ( 0.309 1.732 -0.131) 1.764 5.396 ( 0.027 -0.783 -0.154) 0.798 5.434 ( 0.040 -1.161 0.273) 1.194 5.539 ( 0.087 -2.165 -0.222) 2.178 5.703 ( -0.270 -3.447 -0.452) 3.487 6.079 ( 0.365 3.492 -2.341) 4.220 6.186 ( 0.065 2.692 -0.235) 2.703 6.343 ( 0.017 5.787 -0.024) 5.787 6.378 ( -0.033 2.860 0.013) 2.861 6.574 ( 0.037 1.255 -0.035) 1.256 6.674 ( -0.529 0.160 0.990) 1.134 6.736 ( -0.060 -0.046 0.006) 0.076 6.828 ( 0.081 -1.045 -0.035) 1.048 6.919 ( 0.643 -1.779 0.031) 1.892 6.922 ( -0.535 -1.430 0.174) 1.537 6.999 ( -0.216 -2.467 0.244) 2.488 7.206 ( 0.411 -3.799 -0.130) 3.823 8.152 ( -1.268 -0.990 -0.307) 1.638 8.231 ( -2.316 -2.696 3.265) 4.826======================= Grid point 72 (30/104) =======================q-point: ( 0.12 0.14 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.374 ( -1.680 4.605 12.442) 13.372 0.580 ( 10.143 8.564 6.822) 14.925 0.857 ( 5.965 8.836 -1.970) 10.841 1.250 ( 9.017 3.323 6.433) 11.564 1.335 ( -3.241 4.798 -0.509) 5.813 1.531 ( 2.469 3.449 0.898) 4.336 1.812 ( -0.265 1.582 -1.645) 2.298 1.886 ( -1.093 0.346 -2.364) 2.628 1.940 ( -0.200 1.986 -1.088) 2.273 1.988 ( 2.494 0.428 0.761) 2.642 2.030 ( -1.848 2.620 1.415) 3.504 2.070 ( 2.411 0.211 2.692) 3.620 2.116 ( -3.194 -1.110 1.139) 3.568 2.261 ( -2.251 -0.156 -0.048) 2.257 2.406 ( -1.061 2.076 -1.141) 2.595 2.564 ( -3.794 6.146 -0.569) 7.245 2.617 ( -1.407 -2.206 -0.229) 2.627 2.670 ( -0.485 -4.867 -0.305) 4.901 2.787 ( 0.913 -3.219 -0.072) 3.346 2.918 ( -0.819 -0.458 -1.157) 1.489 3.070 ( 4.657 -3.333 -2.583) 6.283 3.226 ( 6.271 4.883 -1.925) 8.177 3.326 ( 0.424 8.447 0.656) 8.483 3.449 ( -2.764 -2.165 0.646) 3.570 3.494 ( -0.409 -3.669 -1.233) 3.892 3.668 ( -1.750 1.941 -1.074) 2.826 3.889 ( -3.634 -1.410 0.599) 3.944 4.333 ( -0.413 -8.260 -0.717) 8.301 4.754 ( 1.553 -1.360 0.233) 2.077 4.801 ( 2.024 1.280 0.275) 2.410 5.382 ( -1.439 -2.916 -0.206) 3.259 5.442 ( 0.320 -1.627 -0.046) 1.659 5.506 ( -2.049 1.323 -0.040) 2.439 5.742 ( 3.110 -6.002 -0.507) 6.779 6.068 ( -0.101 3.696 -0.944) 3.816 6.205 ( 1.744 3.788 -0.290) 4.180 6.329 ( -1.123 4.433 -0.042) 4.573 6.390 ( 0.942 3.588 -0.020) 3.709 6.561 ( -1.180 1.500 -0.038) 1.909 6.659 ( -1.198 0.444 0.705) 1.459 6.736 ( 0.034 -0.110 0.189) 0.221 6.815 ( -1.343 -0.964 0.179) 1.662 6.914 ( -0.324 -1.829 0.338) 1.888 6.937 ( 1.106 -1.512 0.032) 1.873 7.002 ( 0.347 -2.640 0.163) 2.667 7.217 ( 0.340 -4.454 -0.435) 4.488 8.121 ( -0.814 0.034 -0.494) 0.953 8.231 ( 0.463 -1.106 1.963) 2.300======================= Grid point 73 (31/104) =======================q-point: ( 0.25 0.14 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.514 ( 11.358 3.916 0.095) 12.015 0.798 ( 8.395 7.860 2.231) 11.715 0.954 ( 5.659 5.525 -1.799) 8.111 1.293 ( 1.046 6.682 -2.466) 7.199 1.463 ( 6.099 -0.012 2.496) 6.590 1.572 ( 3.105 1.200 -3.588) 4.894 1.805 ( -3.645 1.845 1.242) 4.270 1.820 ( -1.775 -2.348 1.190) 3.175 1.894 ( -3.886 3.611 0.425) 5.322 2.001 ( -1.978 9.248 0.475) 9.469 2.023 ( -0.877 -0.733 1.694) 2.043 2.080 ( 0.332 -0.042 1.758) 1.790 2.194 ( 7.826 -1.859 1.621) 8.206 2.245 ( 1.305 -1.343 0.945) 2.098 2.392 ( 0.134 1.450 0.310) 1.489 2.485 ( -3.076 4.562 -1.543) 5.715 2.619 ( 1.390 0.095 2.538) 2.896 2.670 ( 0.664 -4.675 0.470) 4.746 2.780 ( -1.182 3.213 -0.086) 3.424 2.926 ( 1.161 -5.953 -0.529) 6.088 3.159 ( 4.644 -2.499 -1.558) 5.500 3.300 ( 0.600 6.249 0.307) 6.285 3.318 ( -4.700 2.100 -0.145) 5.150 3.361 ( -4.834 -1.759 1.395) 5.330 3.446 ( 0.041 -1.848 -4.766) 5.112 3.633 ( -0.959 3.282 -1.015) 3.566 3.806 ( -4.396 -0.991 -0.065) 4.506 4.319 ( -0.662 -7.820 -0.639) 7.874 4.779 ( 0.930 0.961 -0.105) 1.341 4.858 ( 2.925 -0.236 0.484) 2.974 5.340 ( -2.073 -5.458 -0.429) 5.855 5.440 ( -0.135 -1.575 -0.361) 1.621 5.490 ( 0.094 3.842 0.360) 3.860 5.792 ( 1.805 -8.303 -0.204) 8.499 6.074 ( 0.917 3.375 -0.250) 3.506 6.236 ( 0.565 6.269 -0.197) 6.298 6.313 ( 0.293 2.297 -0.141) 2.320 6.409 ( 0.821 3.960 -0.011) 4.044 6.537 ( -0.858 1.587 -0.109) 1.808 6.634 ( -1.402 0.193 0.373) 1.464 6.737 ( -0.191 -0.653 0.327) 0.755 6.782 ( -1.803 -0.562 0.282) 1.910 6.910 ( -0.263 -1.411 0.371) 1.483 6.964 ( 1.511 -1.990 -0.004) 2.499 7.008 ( 0.050 -2.863 0.042) 2.864 7.215 ( -0.245 -4.198 -0.282) 4.215 8.118 ( 0.580 -0.079 -0.791) 0.983 8.249 ( 0.448 -1.479 1.328) 2.038======================= Grid point 74 (32/104) =======================q-point: ( 0.38 0.14 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.773 ( 13.955 1.230 -3.298) 14.392 0.931 ( 5.846 3.010 -2.460) 7.020 1.060 ( 4.063 7.853 1.568) 8.980 1.373 ( 6.343 10.399 -0.391) 12.187 1.490 ( -1.097 2.161 -1.838) 3.041 1.636 ( 3.144 -4.119 -5.269) 7.390 1.685 ( -6.024 -2.502 3.458) 7.383 1.792 ( -3.393 2.275 0.306) 4.096 1.855 ( 1.065 1.137 0.822) 1.761 1.938 ( -3.488 6.528 1.851) 7.629 2.001 ( -3.767 4.223 1.822) 5.945 2.106 ( 2.013 0.332 0.636) 2.137 2.272 ( -0.673 -2.622 1.829) 3.267 2.339 ( 3.736 1.821 -0.244) 4.164 2.426 ( 1.241 0.722 2.480) 2.865 2.460 ( 3.473 2.201 -0.760) 4.182 2.672 ( 1.793 -3.500 1.831) 4.338 2.728 ( 3.389 -1.976 1.857) 4.341 2.761 ( 0.034 2.905 -0.192) 2.911 2.929 ( -0.889 -2.903 0.726) 3.122 3.138 ( -10.151 -0.472 -2.091) 10.375 3.208 ( -6.005 -3.051 1.003) 6.810 3.233 ( 1.538 -0.399 -1.187) 1.983 3.325 ( 0.755 2.912 0.105) 3.010 3.476 ( 2.052 1.284 -2.084) 3.194 3.623 ( 0.273 4.840 -1.290) 5.016 3.735 ( -1.999 -2.099 -0.731) 2.989 4.303 ( -0.536 -7.708 -0.498) 7.743 4.792 ( 0.395 2.971 -0.108) 2.999 4.905 ( 1.452 -0.851 0.194) 1.694 5.315 ( -0.129 -6.110 -0.304) 6.119 5.441 ( 0.355 -1.393 -0.373) 1.485 5.492 ( -0.275 3.238 0.485) 3.285 5.812 ( 0.417 -8.652 0.101) 8.663 6.097 ( 1.233 3.697 -0.095) 3.899 6.214 ( -1.898 5.018 -0.108) 5.366 6.345 ( 2.084 4.172 -0.184) 4.667 6.419 ( 0.166 3.576 0.052) 3.580 6.535 ( 0.801 0.807 -0.229) 1.160 6.607 ( -1.451 0.016 0.183) 1.462 6.723 ( -1.357 -1.495 0.155) 2.025 6.758 ( -0.566 0.352 0.281) 0.723 6.907 ( -0.216 -0.998 0.330) 1.073 6.993 ( 1.228 -2.318 -0.119) 2.626 7.004 ( -0.374 -3.046 0.011) 3.069 7.209 ( -0.153 -3.943 -0.029) 3.947 8.131 ( 0.903 -0.555 -0.343) 1.113 8.259 ( 0.061 -1.772 0.892) 1.984======================= Grid point 75 (33/104) =======================q-point: (-0.50 0.14 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.993 ( 6.751 -4.894 -0.864) 8.383 1.021 ( 3.741 2.006 -2.862) 5.120 1.101 ( -1.524 9.484 3.536) 10.236 1.440 ( 0.459 8.678 -2.112) 8.943 1.483 ( 1.513 4.776 -0.941) 5.098 1.574 ( -3.395 -2.572 1.425) 4.492 1.690 ( 1.604 -1.509 -1.097) 2.460 1.778 ( 2.747 3.897 0.262) 4.775 1.872 ( -1.811 1.363 0.872) 2.428 1.908 ( -1.464 2.594 2.595) 3.951 1.941 ( 0.908 4.272 1.508) 4.621 2.146 ( 1.271 -1.951 -0.954) 2.516 2.246 ( -2.052 0.216 3.620) 4.166 2.366 ( 0.485 3.053 -0.788) 3.190 2.410 ( -2.232 0.360 -0.259) 2.276 2.561 ( 1.635 1.514 1.628) 2.759 2.661 ( -7.698 -1.671 -1.653) 8.049 2.701 ( -1.844 -3.422 -0.988) 4.011 2.760 ( -0.912 3.346 -1.434) 3.753 2.897 ( -2.299 -1.007 -0.163) 2.515 3.050 ( 4.992 -2.070 1.539) 5.619 3.153 ( -0.155 -2.989 1.085) 3.184 3.239 ( 0.075 1.784 -0.814) 1.962 3.349 ( 0.706 -1.212 0.634) 1.539 3.499 ( 1.350 2.539 -0.151) 2.879 3.626 ( 0.538 5.373 -1.186) 5.529 3.718 ( 0.420 -3.335 -1.462) 3.665 4.297 ( 0.201 -7.758 -0.432) 7.773 4.795 ( -0.053 3.861 -0.135) 3.864 4.920 ( 0.070 -1.009 0.029) 1.012 5.318 ( 0.019 -6.310 -0.109) 6.311 5.446 ( 0.190 -2.449 -0.562) 2.520 5.489 ( -0.047 3.784 0.800) 3.868 5.816 ( 0.046 -8.441 0.217) 8.444 6.113 ( -0.020 4.362 -0.014) 4.362 6.188 ( 0.053 3.736 -0.199) 3.742 6.370 ( 0.181 6.247 -0.034) 6.249 6.418 ( -0.111 2.531 0.028) 2.534 6.558 ( 0.437 -0.145 0.073) 0.466 6.582 ( -0.258 0.101 -0.117) 0.301 6.701 ( -0.400 -1.118 -0.342) 1.236 6.754 ( -0.102 0.281 0.376) 0.480 6.905 ( -0.077 -0.827 0.304) 0.884 6.991 ( -0.615 -2.731 -0.430) 2.832 7.013 ( 0.600 -2.728 0.239) 2.804 7.209 ( 0.072 -3.904 0.120) 3.907 8.148 ( 0.734 -0.898 0.191) 1.175 8.261 ( -0.276 -1.916 0.703) 2.059======================= Grid point 76 (34/104) =======================q-point: (-0.38 0.14 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.924 ( -10.672 -3.252 0.134) 11.158 1.016 ( -5.702 5.323 1.672) 7.978 1.101 ( 0.463 7.092 3.276) 7.826 1.428 ( -3.597 9.837 -2.597) 10.791 1.484 ( -1.785 -0.493 -0.520) 1.924 1.569 ( 3.921 -2.006 -1.835) 4.771 1.709 ( 0.407 -0.565 0.551) 0.887 1.834 ( 0.031 2.140 0.217) 2.151 1.858 ( 1.469 -0.797 2.503) 3.010 1.916 ( 2.075 5.731 1.039) 6.183 1.995 ( 1.967 4.816 1.941) 5.553 2.137 ( -0.649 -1.176 -0.823) 1.575 2.256 ( -0.873 0.908 6.024) 6.154 2.314 ( -6.968 -1.891 -0.211) 7.224 2.353 ( -1.503 -0.313 -1.342) 2.039 2.477 ( -2.586 2.568 -2.073) 4.193 2.542 ( -3.588 5.852 -2.838) 7.428 2.663 ( 0.540 -5.310 -0.004) 5.338 2.749 ( 0.360 3.364 -0.430) 3.410 2.933 ( 1.396 -6.011 0.369) 6.182 3.143 ( 5.065 -0.676 -1.983) 5.481 3.197 ( 2.445 0.875 1.193) 2.858 3.247 ( 0.449 0.765 0.053) 0.889 3.352 ( -0.482 -0.888 0.446) 1.104 3.521 ( 0.229 0.486 -0.766) 0.936 3.634 ( 0.763 4.479 -0.959) 4.644 3.743 ( 3.087 -1.880 -0.464) 3.644 4.308 ( 1.017 -7.796 -0.352) 7.870 4.789 ( -0.403 3.156 -0.189) 3.188 4.907 ( -1.589 -0.944 0.264) 1.867 5.314 ( 0.196 -6.110 -0.326) 6.122 5.443 ( -0.097 -1.522 -0.320) 1.558 5.496 ( 0.121 3.193 0.645) 3.259 5.817 ( -0.192 -8.756 0.248) 8.761 6.096 ( -1.228 3.589 -0.134) 3.796 6.215 ( 2.072 5.050 -0.073) 5.459 6.348 ( -2.114 4.378 -0.077) 4.862 6.418 ( -0.095 3.666 0.001) 3.667 6.537 ( -1.002 0.718 -0.155) 1.243 6.608 ( 1.580 -0.062 0.197) 1.594 6.711 ( 1.451 -1.392 -0.251) 2.026 6.755 ( 0.104 0.383 0.258) 0.473 6.906 ( 0.038 -0.949 0.315) 1.000 6.973 ( -0.928 -2.395 -0.431) 2.604 7.021 ( 0.080 -2.749 0.277) 2.764 7.212 ( 0.218 -4.034 0.066) 4.041 8.161 ( 0.400 -0.967 0.321) 1.094 8.257 ( -0.449 -1.993 1.079) 2.311======================= Grid point 77 (35/104) =======================q-point: (-0.25 0.14 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.652 ( -14.638 0.355 -2.587) 14.869 0.856 ( -11.700 6.269 7.957) 15.476 1.093 ( -6.738 9.765 3.043) 12.248 1.258 ( -6.247 8.977 -2.798) 11.289 1.426 ( -4.542 -1.395 0.268) 4.759 1.595 ( -1.951 0.367 0.751) 2.123 1.740 ( 3.455 1.112 -2.327) 4.312 1.841 ( 1.395 2.088 1.718) 3.042 1.901 ( 1.423 1.677 0.305) 2.220 1.964 ( 1.253 3.162 0.637) 3.461 2.059 ( 2.933 1.149 1.419) 3.455 2.106 ( -3.228 0.222 -0.582) 3.288 2.190 ( -5.537 0.897 3.823) 6.788 2.199 ( -0.951 -0.764 -0.424) 1.292 2.379 ( 2.391 -0.959 -0.216) 2.585 2.504 ( 3.251 2.320 -0.565) 4.034 2.526 ( 3.170 2.952 0.201) 4.336 2.673 ( 0.005 -5.756 0.114) 5.757 2.759 ( 0.603 1.516 -0.752) 1.797 2.926 ( -0.835 -4.825 -0.568) 4.929 3.210 ( -1.904 -2.837 -2.147) 4.035 3.240 ( 2.333 4.405 -0.517) 5.011 3.260 ( 2.251 0.371 -1.318) 2.635 3.335 ( 0.150 3.962 -0.238) 3.972 3.502 ( -1.114 -2.348 -1.844) 3.187 3.652 ( 1.559 3.032 -0.492) 3.445 3.829 ( 4.637 -0.780 0.618) 4.743 4.329 ( 1.062 -7.996 -0.336) 8.074 4.776 ( -0.803 1.306 -0.180) 1.544 4.856 ( -3.438 -0.364 0.461) 3.487 5.338 ( 2.253 -5.678 -0.505) 6.129 5.442 ( 0.165 -1.758 -0.309) 1.792 5.496 ( -0.260 3.888 0.545) 3.935 5.802 ( -1.615 -8.425 0.102) 8.579 6.073 ( -0.757 3.332 -0.312) 3.431 6.241 ( -0.481 6.398 -0.039) 6.416 6.311 ( -0.376 2.245 -0.204) 2.286 6.409 ( -0.769 4.178 -0.010) 4.248 6.535 ( 0.852 1.568 -0.191) 1.795 6.638 ( 1.298 0.063 0.503) 1.394 6.736 ( 0.401 -0.768 0.272) 0.909 6.772 ( 1.823 -0.394 0.000) 1.865 6.909 ( 0.023 -1.463 0.301) 1.494 6.951 ( -1.055 -1.753 -0.305) 2.068 7.019 ( -0.420 -2.689 0.320) 2.740 7.216 ( 0.118 -4.221 -0.213) 4.228 8.166 ( 0.059 -0.743 -0.228) 0.779 8.256 ( -0.341 -2.568 2.395) 3.528======================= Grid point 78 (36/104) =======================q-point: (-0.12 0.14 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.372 ( -9.951 8.416 0.215) 13.034 0.652 ( -12.450 7.829 12.484) 19.291 0.824 ( -14.223 22.592 0.792) 26.708 1.253 ( -1.548 -2.059 3.984) 4.744 1.338 ( -1.271 1.105 0.746) 1.842 1.532 ( -4.129 1.560 2.055) 4.869 1.809 ( 4.134 1.345 -3.170) 5.380 1.879 ( 0.834 5.669 -2.031) 6.079 1.922 ( -2.169 -1.855 -0.425) 2.886 1.950 ( 2.513 -0.138 2.353) 3.446 2.053 ( -1.176 3.191 0.697) 3.471 2.102 ( -3.117 0.752 1.938) 3.746 2.156 ( 3.404 0.652 2.351) 4.188 2.211 ( 0.898 1.037 -1.697) 2.182 2.415 ( 1.636 2.323 -0.970) 3.002 2.570 ( 4.144 2.944 -0.695) 5.130 2.628 ( 3.660 -6.166 1.345) 7.296 2.664 ( -0.172 -2.474 -0.442) 2.519 2.757 ( 0.160 -5.623 -0.912) 5.699 2.936 ( 2.286 1.992 -0.530) 3.078 3.117 ( -4.596 -3.675 -3.660) 6.930 3.197 ( -4.875 3.126 -1.619) 6.013 3.287 ( 1.663 8.546 -0.480) 8.719 3.407 ( 3.931 -0.501 -1.503) 4.239 3.454 ( -2.275 -0.624 -0.928) 2.535 3.687 ( 1.710 2.048 -0.575) 2.729 3.911 ( 2.703 -1.267 1.178) 3.209 4.342 ( 0.335 -8.420 -0.426) 8.437 4.753 ( -1.562 -1.197 0.330) 1.995 4.795 ( -2.131 1.263 0.060) 2.477 5.380 ( 1.662 -3.132 -0.266) 3.556 5.441 ( -0.383 -1.903 -0.139) 1.946 5.509 ( 1.730 1.548 0.073) 2.323 5.752 ( -3.161 -6.060 -0.216) 6.838 6.069 ( 0.756 3.645 -1.049) 3.868 6.206 ( -1.801 3.705 -0.214) 4.125 6.328 ( 1.226 4.506 -0.078) 4.670 6.391 ( -0.938 3.744 -0.015) 3.860 6.559 ( 1.291 1.481 -0.081) 1.966 6.664 ( 0.893 0.045 0.870) 1.248 6.737 ( -0.104 -0.091 0.161) 0.212 6.811 ( 1.593 -0.994 0.051) 1.878 6.910 ( 0.149 -2.182 0.109) 2.190 6.933 ( -0.643 -1.012 0.013) 1.199 7.008 ( -0.729 -2.577 0.316) 2.696 7.212 ( -0.428 -4.102 -0.442) 4.148 8.163 ( -0.058 -0.483 -0.621) 0.789 8.260 ( -1.152 -4.491 3.613) 5.878======================= Grid point 79 (37/104) =======================q-point: ( 0.00 0.29 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.561 ( -7.385 10.660 11.041) 17.032 0.681 ( -1.186 15.465 4.338) 16.105 1.053 ( -4.844 -3.979 0.989) 6.347 1.221 ( 0.296 17.282 1.923) 17.391 1.445 ( 2.866 4.957 5.173) 7.717 1.504 ( 1.013 -2.359 1.070) 2.781 1.842 ( -1.731 -1.596 -2.808) 3.664 1.906 ( 2.546 1.774 -2.191) 3.799 1.949 ( -0.429 1.207 -3.012) 3.273 2.002 ( 1.868 -2.629 0.486) 3.261 2.039 ( -2.311 -0.515 1.727) 2.930 2.051 ( -0.773 -2.074 -0.000) 2.213 2.121 ( -0.696 -0.060 1.384) 1.550 2.276 ( 0.913 1.243 0.293) 1.570 2.499 ( -0.966 -1.408 -0.383) 1.750 2.552 ( 2.508 -1.374 1.769) 3.363 2.608 ( -0.190 -7.113 -0.443) 7.129 2.655 ( 0.724 1.177 -0.371) 1.431 2.789 ( 0.459 11.524 -0.162) 11.534 2.949 ( -0.343 -2.640 -0.695) 2.751 2.959 ( -0.250 -1.698 -4.094) 4.440 3.277 ( 1.421 7.065 -1.915) 7.457 3.397 ( 0.744 0.173 1.925) 2.071 3.462 ( 1.498 2.286 -1.179) 2.977 3.543 ( -0.576 7.577 -0.698) 7.630 3.719 ( -0.355 1.142 -0.434) 1.272 3.883 ( -0.797 -3.722 0.543) 3.844 4.158 ( -0.121 -9.336 -0.448) 9.347 4.691 ( -0.163 -1.874 0.521) 1.951 4.794 ( 0.118 -0.664 -0.033) 0.675 5.318 ( 0.250 -6.926 -0.184) 6.933 5.357 ( 0.077 -3.386 -0.317) 3.402 5.582 ( -0.127 3.555 0.273) 3.568 5.650 ( -0.188 -1.420 -0.161) 1.441 6.134 ( 0.262 2.563 -1.368) 2.917 6.229 ( 0.100 1.175 -0.436) 1.258 6.452 ( -0.054 4.671 -0.027) 4.672 6.472 ( -0.065 6.659 0.024) 6.659 6.604 ( 0.019 1.533 -0.035) 1.533 6.694 ( -0.177 1.827 0.705) 1.966 6.728 ( 0.026 -0.921 -0.035) 0.922 6.801 ( 0.070 -1.604 -0.105) 1.609 6.865 ( 1.312 -3.745 0.067) 3.969 6.876 ( -1.423 -3.123 0.196) 3.438 6.951 ( -0.096 -1.658 0.284) 1.685 7.110 ( 0.082 -5.561 -0.079) 5.562 8.144 ( -0.791 0.049 -0.396) 0.886 8.195 ( -0.297 -1.410 2.009) 2.472======================= Grid point 80 (38/104) =======================q-point: ( 0.12 0.29 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.521 ( 0.585 10.282 7.171) 12.549 0.752 ( 5.367 12.000 3.679) 13.650 1.034 ( 3.697 0.704 -0.167) 3.767 1.263 ( 2.046 6.462 2.238) 7.139 1.522 ( 2.259 7.565 4.109) 8.901 1.564 ( 2.279 -1.027 -0.993) 2.690 1.801 ( -0.838 -3.149 -1.017) 3.414 1.890 ( -3.430 0.057 -2.489) 4.238 1.960 ( 3.593 0.600 -0.547) 3.684 1.985 ( -2.012 -1.906 1.069) 2.971 2.039 ( 0.419 -0.047 0.453) 0.619 2.060 ( 2.054 0.350 0.259) 2.099 2.126 ( 0.563 1.477 1.448) 2.144 2.279 ( -1.108 1.126 0.071) 1.581 2.475 ( -1.967 4.901 1.558) 5.506 2.549 ( -1.319 -7.823 -0.138) 7.934 2.580 ( -2.243 -5.249 -0.591) 5.738 2.674 ( 0.606 4.931 0.248) 4.975 2.816 ( 2.563 11.477 0.358) 11.765 2.937 ( -1.006 -0.146 -0.726) 1.249 2.987 ( 4.316 -4.051 -3.267) 6.761 3.324 ( 3.611 3.760 -2.012) 5.588 3.383 ( -2.988 -0.691 1.931) 3.624 3.446 ( -3.352 -0.114 -0.808) 3.450 3.528 ( -0.627 7.168 -0.606) 7.221 3.707 ( -0.370 2.751 -0.508) 2.822 3.850 ( -2.502 -2.949 -0.038) 3.868 4.158 ( 0.259 -8.848 -0.623) 8.874 4.715 ( 2.089 -2.024 0.358) 2.931 4.810 ( 1.439 -1.020 0.094) 1.766 5.285 ( -2.610 -5.465 -0.263) 6.061 5.370 ( 0.645 -4.697 -0.288) 4.750 5.575 ( -0.582 3.668 0.268) 3.723 5.655 ( 0.678 -2.178 -0.137) 2.285 6.134 ( 0.464 3.173 -1.019) 3.364 6.256 ( 2.645 1.013 -0.463) 2.870 6.425 ( -2.039 5.346 -0.051) 5.721 6.487 ( 0.970 5.738 -0.025) 5.819 6.598 ( -0.490 1.986 -0.014) 2.046 6.679 ( -1.476 1.677 0.515) 2.293 6.728 ( -0.054 -0.725 0.022) 0.727 6.787 ( -1.462 -2.035 0.076) 2.507 6.855 ( -0.184 -3.720 0.320) 3.738 6.896 ( 1.320 -2.955 -0.164) 3.240 6.950 ( -0.158 -1.803 0.315) 1.837 7.112 ( 0.083 -5.771 -0.063) 5.772 8.127 ( -0.538 0.568 -0.411) 0.884 8.203 ( 0.169 -1.609 1.473) 2.188======================= Grid point 81 (39/104) =======================q-point: ( 0.25 0.29 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.647 ( 9.246 9.587 -0.231) 13.321 0.878 ( 5.027 6.181 1.256) 8.065 1.193 ( 10.370 5.264 1.208) 11.693 1.314 ( 2.461 5.127 0.935) 5.763 1.552 ( -0.056 4.981 0.677) 5.027 1.569 ( 1.268 -2.275 -4.398) 5.111 1.733 ( -6.684 -5.326 0.419) 8.557 1.832 ( -1.156 0.389 0.414) 1.288 1.949 ( -2.929 2.685 3.131) 5.059 2.043 ( 3.320 -2.563 1.276) 4.384 2.070 ( 0.691 2.548 0.684) 2.728 2.146 ( 5.982 2.123 -1.080) 6.438 2.171 ( 4.665 -0.810 2.665) 5.433 2.228 ( -3.405 1.299 -0.249) 3.653 2.443 ( -0.746 2.181 0.616) 2.386 2.510 ( -2.687 -2.563 -2.663) 4.569 2.565 ( 1.386 -1.820 1.438) 2.702 2.682 ( 0.468 4.587 0.968) 4.711 2.881 ( 1.722 7.620 0.794) 7.853 2.900 ( -0.932 2.908 0.440) 3.085 3.071 ( 4.659 -6.033 -2.135) 7.916 3.277 ( -6.468 -3.567 0.378) 7.396 3.326 ( -7.736 -0.897 -1.389) 7.911 3.405 ( 2.852 1.699 -0.599) 3.373 3.505 ( -0.747 6.714 -0.627) 6.785 3.700 ( -0.311 3.492 -0.576) 3.553 3.791 ( -2.817 -0.136 -0.646) 2.893 4.157 ( -0.154 -7.970 -0.677) 8.000 4.768 ( 2.873 -1.656 0.096) 3.318 4.848 ( 1.946 -1.506 0.252) 2.474 5.230 ( -2.421 -4.717 -0.425) 5.319 5.373 ( -0.112 -5.461 -0.362) 5.474 5.566 ( -0.379 3.471 0.373) 3.512 5.671 ( 0.787 -3.275 0.072) 3.369 6.148 ( 1.300 3.969 -0.556) 4.213 6.321 ( 3.686 0.289 -0.441) 3.723 6.375 ( -2.779 5.853 -0.044) 6.479 6.504 ( 0.643 5.207 -0.078) 5.247 6.587 ( -0.572 2.951 0.004) 3.006 6.645 ( -1.882 1.044 0.230) 2.165 6.718 ( -1.243 -1.115 0.262) 1.690 6.761 ( -0.768 -2.033 0.092) 2.175 6.863 ( 0.480 -3.189 0.281) 3.237 6.917 ( 0.910 -3.126 -0.284) 3.268 6.947 ( -0.277 -2.124 0.304) 2.163 7.112 ( -0.073 -5.719 0.085) 5.720 8.120 ( 0.021 0.390 -0.403) 0.561 8.212 ( 0.042 -2.191 1.064) 2.436======================= Grid point 82 (40/104) =======================q-point: ( 0.38 0.29 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.830 ( 7.936 5.632 -2.009) 9.937 0.974 ( 6.096 4.446 -3.002) 8.120 1.311 ( 0.832 11.504 0.292) 11.538 1.436 ( 7.829 -3.956 -1.606) 8.917 1.544 ( -0.347 2.357 -0.286) 2.400 1.590 ( -6.642 -7.065 2.623) 10.045 1.646 ( 7.184 6.092 -1.869) 9.603 1.806 ( -1.691 0.670 -0.195) 1.829 1.906 ( -2.450 2.798 3.180) 4.893 2.052 ( -1.979 4.322 1.661) 5.036 2.091 ( 1.089 -2.148 -0.403) 2.442 2.111 ( -5.361 5.266 -0.757) 7.553 2.227 ( 1.256 -1.207 1.412) 2.242 2.367 ( 8.774 -1.349 3.467) 9.530 2.448 ( 1.207 -3.473 -0.504) 3.712 2.471 ( 0.429 1.170 -2.623) 2.904 2.582 ( -0.499 1.002 0.585) 1.263 2.729 ( 2.687 1.552 2.122) 3.759 2.842 ( -1.802 3.154 1.226) 3.834 2.959 ( 2.682 6.602 1.764) 7.341 3.094 ( -7.218 -5.072 -1.631) 8.971 3.153 ( -6.225 -1.146 -1.667) 6.545 3.164 ( -0.375 -3.976 -0.572) 4.034 3.409 ( -1.496 2.103 0.094) 2.583 3.530 ( 3.020 4.391 -1.486) 5.532 3.674 ( -2.019 -0.547 -0.526) 2.157 3.750 ( -0.687 5.290 -1.028) 5.432 4.147 ( -0.417 -7.553 -0.651) 7.592 4.823 ( 2.368 -0.315 -0.035) 2.389 4.878 ( 0.769 -2.038 0.177) 2.186 5.196 ( -0.647 -4.888 -0.404) 4.947 5.365 ( -0.444 -6.109 -0.461) 6.142 5.563 ( -0.198 3.419 0.553) 3.469 5.685 ( 0.486 -3.732 0.235) 3.771 6.179 ( 1.921 4.561 -0.274) 4.957 6.308 ( -3.070 3.956 -0.110) 5.009 6.401 ( 3.775 1.865 -0.273) 4.219 6.506 ( -0.609 4.381 -0.038) 4.423 6.578 ( -0.236 3.483 -0.055) 3.491 6.610 ( -1.552 0.293 0.045) 1.580 6.691 ( -1.137 -1.360 0.164) 1.780 6.754 ( -0.142 -1.009 0.100) 1.024 6.871 ( 0.211 -2.814 0.285) 2.836 6.930 ( 0.509 -4.145 -0.556) 4.213 6.943 ( -0.166 -1.791 0.452) 1.855 7.111 ( -0.071 -5.510 0.294) 5.519 8.122 ( 0.329 -0.147 -0.131) 0.383 8.214 ( -0.169 -2.620 0.723) 2.723======================= Grid point 83 (41/104) =======================q-point: (-0.50 0.29 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.931 ( 2.543 0.935 0.434) 2.744 1.091 ( 5.354 4.809 -3.690) 8.088 1.318 ( -0.134 8.943 0.166) 8.946 1.460 ( -3.683 -4.760 -2.465) 6.504 1.483 ( -0.050 -2.255 -0.186) 2.263 1.602 ( 2.428 -0.076 -1.838) 3.046 1.744 ( -0.286 5.446 -0.838) 5.517 1.800 ( 1.360 1.949 2.536) 3.476 1.880 ( -1.715 0.504 2.405) 2.997 2.007 ( -2.410 4.530 0.463) 5.152 2.051 ( 1.559 4.937 2.134) 5.600 2.100 ( -0.039 -1.306 -1.360) 1.885 2.248 ( 0.469 -0.578 1.918) 2.057 2.409 ( -2.127 -0.027 -0.012) 2.128 2.458 ( -0.771 2.338 0.076) 2.463 2.553 ( 0.697 -2.082 1.638) 2.739 2.589 ( 3.000 -0.419 1.698) 3.473 2.706 ( -5.565 1.911 -0.300) 5.891 2.829 ( -3.008 2.762 -1.073) 4.223 2.938 ( -2.017 4.337 -1.602) 5.045 3.009 ( 2.307 -0.510 1.055) 2.587 3.101 ( 2.331 -1.678 0.952) 3.026 3.179 ( 0.530 -5.730 -1.109) 5.860 3.384 ( -0.589 1.929 -0.704) 2.136 3.576 ( 1.144 4.606 -0.299) 4.755 3.644 ( 0.359 -3.037 -0.864) 3.178 3.743 ( 0.311 6.548 -1.094) 6.646 4.141 ( 0.236 -7.457 -0.614) 7.486 4.851 ( 0.107 1.174 -0.005) 1.179 4.883 ( -0.055 -2.802 0.007) 2.803 5.192 ( 0.094 -5.368 -0.259) 5.375 5.356 ( -0.010 -6.492 -0.588) 6.518 5.563 ( -0.034 3.527 0.700) 3.596 5.691 ( 0.023 -3.774 0.309) 3.787 6.208 ( -0.079 5.223 -0.144) 5.226 6.266 ( 0.173 3.741 -0.151) 3.748 6.466 ( 0.803 2.289 0.085) 2.428 6.477 ( -0.531 2.746 -0.097) 2.799 6.578 ( 0.076 2.843 -0.037) 2.844 6.590 ( -0.166 0.973 -0.226) 1.012 6.678 ( -0.243 -0.839 -0.105) 0.880 6.753 ( -0.053 -0.738 0.150) 0.755 6.874 ( -0.049 -2.712 0.279) 2.727 6.930 ( -0.134 -2.948 -0.354) 2.972 6.947 ( 0.253 -3.117 0.266) 3.138 7.112 ( -0.062 -5.464 0.395) 5.479 8.131 ( 0.461 -0.601 0.201) 0.784 8.212 ( -0.280 -2.759 0.541) 2.825======================= Grid point 84 (42/104) =======================q-point: (-0.38 0.29 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.898 ( -6.112 2.366 -0.270) 6.560 1.106 ( -3.476 5.114 0.819) 6.238 1.310 ( -0.695 10.202 0.992) 10.274 1.407 ( -2.565 -5.725 -1.613) 6.478 1.514 ( 3.645 -3.513 0.017) 5.062 1.598 ( -1.467 4.136 -0.822) 4.465 1.720 ( -0.128 1.546 -1.414) 2.099 1.785 ( -1.859 -2.419 2.148) 3.731 1.881 ( 0.517 1.489 2.866) 3.271 2.023 ( 0.546 3.571 0.060) 3.613 2.069 ( 0.758 -4.635 -1.413) 4.905 2.129 ( 2.238 5.477 1.334) 6.065 2.246 ( -2.628 -1.904 -0.151) 3.249 2.335 ( -4.620 3.268 4.993) 7.547 2.422 ( -4.003 7.157 -1.637) 8.362 2.518 ( -2.621 -0.933 -1.749) 3.286 2.561 ( -1.837 -1.448 -0.083) 2.341 2.635 ( -0.667 1.863 -0.695) 2.097 2.817 ( 2.141 1.401 0.533) 2.614 2.905 ( -1.980 7.320 -1.194) 7.676 3.106 ( 5.396 -4.601 -0.302) 7.097 3.174 ( 1.156 -4.204 -1.201) 4.522 3.197 ( 4.230 -0.952 0.754) 4.400 3.386 ( 1.312 1.152 -0.444) 1.801 3.558 ( -1.859 3.369 -0.741) 3.918 3.685 ( 2.670 -0.374 -0.220) 2.705 3.756 ( 1.716 4.984 -0.799) 5.331 4.151 ( 0.941 -7.485 -0.493) 7.560 4.827 ( -2.257 0.055 0.075) 2.259 4.877 ( -0.875 -2.163 0.143) 2.337 5.195 ( 0.610 -4.987 -0.437) 5.044 5.361 ( 0.660 -6.451 -0.575) 6.510 5.567 ( 0.055 3.443 0.698) 3.513 5.689 ( -0.407 -3.737 0.361) 3.776 6.178 ( -1.749 4.639 -0.323) 4.969 6.311 ( 3.116 4.044 -0.038) 5.105 6.407 ( -3.692 1.905 -0.104) 4.155 6.509 ( 0.785 4.559 0.043) 4.626 6.576 ( 0.097 3.222 -0.124) 3.226 6.608 ( 1.706 0.018 -0.041) 1.707 6.683 ( 0.952 -1.009 -0.075) 1.390 6.753 ( -0.045 -0.957 0.065) 0.960 6.871 ( -0.377 -2.783 0.239) 2.818 6.925 ( -0.230 -2.028 -0.158) 2.047 6.952 ( 0.103 -3.611 0.231) 3.620 7.112 ( -0.051 -5.625 0.325) 5.635 8.142 ( 0.461 -0.755 0.331) 0.944 8.209 ( -0.353 -2.626 0.702) 2.741======================= Grid point 85 (43/104) =======================q-point: (-0.25 0.29 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.742 ( -7.235 9.764 -1.380) 12.230 0.974 ( -10.564 6.278 7.057) 14.171 1.293 ( -5.195 2.450 4.744) 7.450 1.311 ( -3.250 2.619 1.139) 4.326 1.505 ( -5.665 8.486 -1.474) 10.309 1.603 ( 0.958 -3.185 -0.675) 3.394 1.764 ( 4.626 -0.119 -2.539) 5.279 1.783 ( 1.618 -3.205 0.097) 3.592 1.912 ( 1.522 0.449 2.196) 2.710 1.985 ( -2.323 -1.568 -0.606) 2.867 2.093 ( -0.806 -1.650 0.766) 1.989 2.137 ( -1.985 1.936 0.892) 2.912 2.170 ( -1.999 -0.261 0.494) 2.076 2.271 ( -2.603 6.417 0.387) 6.936 2.381 ( 1.868 3.827 -0.225) 4.264 2.523 ( 1.914 -1.101 -0.442) 2.252 2.539 ( -0.506 -5.966 -0.849) 6.048 2.626 ( 0.387 2.895 -0.589) 2.980 2.834 ( -2.278 8.190 -0.874) 8.546 2.900 ( 3.167 1.432 0.309) 3.489 3.102 ( -2.991 -6.639 -1.335) 7.403 3.253 ( 4.350 -0.241 -2.034) 4.808 3.279 ( 3.831 -0.556 -0.627) 3.922 3.419 ( 0.974 2.287 0.092) 2.488 3.527 ( 0.042 5.011 -0.609) 5.048 3.714 ( 0.533 3.501 -0.256) 3.551 3.811 ( 3.447 -0.687 0.038) 3.515 4.166 ( 0.537 -7.889 -0.352) 7.915 4.772 ( -3.004 -1.400 0.248) 3.323 4.845 ( -2.131 -1.339 0.182) 2.523 5.224 ( 2.518 -4.915 -0.604) 5.555 5.371 ( 0.373 -5.718 -0.448) 5.748 5.572 ( 0.117 3.463 0.548) 3.508 5.678 ( -0.756 -3.425 0.317) 3.522 6.148 ( -0.969 4.124 -0.579) 4.276 6.323 ( -3.533 0.256 -0.379) 3.562 6.379 ( 2.679 6.093 0.078) 6.656 6.507 ( -0.693 5.262 0.019) 5.308 6.584 ( 0.671 2.970 -0.111) 3.046 6.645 ( 1.764 0.722 0.258) 1.924 6.714 ( 1.684 -1.179 0.145) 2.061 6.754 ( 0.459 -1.839 -0.101) 1.898 6.861 ( -0.720 -3.002 0.156) 3.091 6.918 ( -0.444 -1.677 0.027) 1.735 6.953 ( -0.110 -3.269 0.297) 3.285 7.113 ( -0.044 -5.813 0.107) 5.814 8.151 ( 0.338 -0.590 0.050) 0.681 8.205 ( -0.553 -2.425 1.373) 2.841======================= Grid point 86 (44/104) =======================q-point: (-0.12 0.29 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.636 ( -3.558 16.867 2.009) 17.355 0.785 ( -11.382 7.813 10.755) 17.501 1.165 ( -7.097 -5.683 4.520) 10.153 1.273 ( -4.671 18.538 1.456) 19.173 1.396 ( -1.268 4.816 0.290) 4.988 1.546 ( -4.303 -1.546 -0.330) 4.585 1.838 ( 3.678 1.499 -3.957) 5.607 1.861 ( 3.751 -3.902 2.198) 5.842 1.945 ( 0.245 -0.819 -1.082) 1.379 1.957 ( 1.236 0.811 -0.905) 1.733 2.065 ( -1.167 -2.687 0.728) 3.018 2.104 ( -3.014 -2.099 0.849) 3.770 2.135 ( -1.529 1.190 1.864) 2.689 2.258 ( 0.704 3.146 -0.959) 3.363 2.458 ( 4.889 1.346 1.165) 5.203 2.517 ( -0.317 -4.059 -2.065) 4.565 2.577 ( 2.506 -5.389 0.329) 5.952 2.644 ( 1.129 1.784 -0.470) 2.163 2.792 ( -1.005 10.308 -0.364) 10.363 2.950 ( 0.977 -1.421 0.078) 1.726 3.023 ( -3.593 -3.270 -2.657) 5.537 3.279 ( 0.038 2.707 -2.427) 3.636 3.350 ( 3.153 -0.020 0.341) 3.172 3.431 ( 1.515 4.279 -1.571) 4.803 3.546 ( 0.747 6.628 0.011) 6.670 3.720 ( 0.243 2.263 -0.115) 2.279 3.870 ( 1.883 -3.104 0.493) 3.664 4.166 ( -0.315 -8.768 -0.321) 8.779 4.717 ( -2.405 -1.912 0.466) 3.107 4.807 ( -1.404 -0.742 -0.012) 1.588 5.280 ( 2.924 -5.611 -0.443) 6.342 5.369 ( -0.433 -4.741 -0.334) 4.772 5.578 ( 0.276 3.605 0.371) 3.634 5.662 ( -0.872 -2.363 0.085) 2.520 6.135 ( 0.037 3.254 -1.021) 3.411 6.256 ( -2.502 1.083 -0.427) 2.760 6.428 ( 1.937 5.498 0.010) 5.829 6.489 ( -1.048 5.716 0.033) 5.811 6.597 ( 0.586 2.019 -0.063) 2.103 6.679 ( 1.260 1.467 0.566) 2.015 6.729 ( -0.015 -0.783 0.010) 0.783 6.783 ( 1.835 -2.152 -0.069) 2.829 6.849 ( -0.176 -3.480 0.079) 3.486 6.904 ( -1.110 -2.293 0.172) 2.554 6.952 ( -0.146 -2.286 0.324) 2.314 7.111 ( -0.092 -5.710 -0.075) 5.712 8.154 ( -0.009 -0.305 -0.425) 0.524 8.198 ( -0.875 -2.089 2.166) 3.134======================= Grid point 87 (45/104) =======================q-point: ( 0.00 0.43 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.752 ( -6.894 9.066 8.955) 14.488 0.916 ( -4.962 -7.007 5.303) 10.092 1.045 ( -0.024 18.225 0.774) 18.242 1.362 ( 0.218 -11.788 0.464) 11.799 1.463 ( -2.972 7.157 0.217) 7.753 1.558 ( 1.157 1.327 2.351) 2.937 1.774 ( -0.303 -0.742 -0.951) 1.244 1.857 ( 2.158 -4.914 -1.537) 5.582 1.953 ( 1.238 1.937 -2.540) 3.426 1.988 ( 1.402 -1.117 -2.507) 3.082 2.029 ( 0.265 -0.400 2.805) 2.846 2.032 ( 0.189 -0.728 1.005) 1.255 2.210 ( -0.596 8.002 0.535) 8.042 2.329 ( -0.070 3.875 0.348) 3.891 2.395 ( 0.202 -7.548 -0.242) 7.555 2.464 ( -0.644 -7.437 1.220) 7.564 2.573 ( 0.484 3.875 1.200) 4.086 2.654 ( 1.481 -3.049 0.865) 3.498 2.851 ( 0.374 1.385 -0.953) 1.723 2.903 ( 1.039 -3.041 -2.208) 3.900 3.161 ( 0.011 13.931 -0.537) 13.941 3.315 ( 1.356 -2.397 -1.439) 3.107 3.424 ( 0.795 2.725 0.354) 2.860 3.508 ( -0.646 -2.250 -0.408) 2.376 3.633 ( -0.104 5.505 -1.046) 5.605 3.776 ( -0.122 -6.758 -0.539) 6.780 3.823 ( -0.532 8.296 -0.210) 8.315 3.989 ( -0.277 -8.169 -0.260) 8.178 4.681 ( -0.155 1.324 0.321) 1.371 4.742 ( -0.063 -4.055 0.077) 4.056 5.240 ( 0.231 -0.566 -0.192) 0.641 5.279 ( 0.169 -3.782 -0.307) 3.799 5.633 ( -0.099 1.393 0.245) 1.418 5.642 ( -0.153 0.091 0.112) 0.210 6.185 ( 0.146 2.558 -1.063) 2.774 6.226 ( 0.095 -1.338 -0.783) 1.553 6.553 ( -0.086 4.900 -0.121) 4.902 6.577 ( -0.053 3.111 0.047) 3.112 6.632 ( 0.088 1.492 0.030) 1.495 6.688 ( 0.007 -3.417 -0.166) 3.421 6.739 ( 0.179 2.400 0.502) 2.458 6.771 ( 0.015 -0.631 -0.116) 0.641 6.793 ( 0.465 -2.738 0.223) 2.786 6.811 ( -0.912 -3.213 -0.035) 3.340 6.948 ( -0.030 1.438 0.329) 1.475 7.007 ( 0.005 -4.465 0.141) 4.467 8.152 ( -0.356 0.725 0.181) 0.828 8.170 ( -0.141 -1.123 1.045) 1.540======================= Grid point 88 (46/104) =======================q-point: ( 0.12 0.43 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.733 ( 2.072 10.430 4.778) 11.658 0.910 ( 2.410 -6.441 3.081) 7.536 1.076 ( 2.941 15.948 1.273) 16.266 1.388 ( 2.050 -9.692 -0.176) 9.908 1.451 ( 0.836 4.214 1.967) 4.725 1.573 ( 1.672 -3.878 2.569) 4.943 1.772 ( -1.644 1.630 -0.813) 2.454 1.827 ( -4.373 -3.768 -2.287) 6.209 1.994 ( 2.286 2.144 -1.435) 3.448 2.015 ( 2.609 2.819 -0.311) 3.854 2.032 ( -0.281 -0.804 0.610) 1.048 2.055 ( 2.575 -0.804 1.160) 2.936 2.199 ( -0.633 5.977 0.704) 6.051 2.323 ( -0.896 3.468 0.171) 3.586 2.368 ( -2.520 -8.855 0.001) 9.206 2.446 ( -1.350 -7.137 0.247) 7.268 2.609 ( 3.080 7.635 2.180) 8.517 2.724 ( 3.683 -2.017 1.328) 4.404 2.875 ( 2.007 -0.059 -0.944) 2.219 2.921 ( 1.563 -3.037 -1.879) 3.899 3.136 ( -1.926 13.749 -0.885) 13.912 3.300 ( -2.391 -3.660 -1.020) 4.489 3.408 ( -2.616 1.380 0.665) 3.032 3.461 ( -3.616 -1.788 0.073) 4.034 3.630 ( 0.220 5.776 -0.870) 5.846 3.757 ( -1.430 -5.551 -0.676) 5.772 3.832 ( 1.456 8.104 -0.754) 8.269 3.996 ( 0.980 -8.008 -0.603) 8.090 4.698 ( 1.684 0.917 0.238) 1.933 4.754 ( 1.218 -4.011 0.088) 4.193 5.226 ( -1.409 -0.016 -0.174) 1.420 5.274 ( -0.549 -4.342 -0.269) 4.385 5.626 ( -0.525 1.540 0.200) 1.639 5.640 ( -0.063 -0.154 0.118) 0.204 6.195 ( 1.295 3.003 -0.966) 3.410 6.245 ( 2.026 -1.831 -0.770) 2.838 6.540 ( -1.209 5.836 -0.110) 5.961 6.579 ( 0.228 2.658 0.015) 2.668 6.629 ( -0.298 1.054 0.095) 1.100 6.683 ( -0.784 -4.032 -0.112) 4.110 6.726 ( -1.006 1.926 0.294) 2.193 6.748 ( -2.022 -0.358 0.262) 2.070 6.798 ( 0.665 -1.613 0.026) 1.745 6.825 ( 1.069 -3.667 -0.339) 3.835 6.948 ( -0.132 1.552 0.430) 1.616 7.008 ( -0.017 -4.459 0.240) 4.466 8.144 ( -0.459 1.167 0.159) 1.264 8.171 ( -0.223 -1.568 0.854) 1.799======================= Grid point 89 (47/104) =======================q-point: ( 0.25 0.43 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.855 ( 7.805 10.341 0.053) 12.956 0.996 ( 3.875 -0.454 0.709) 3.966 1.186 ( 7.302 5.658 1.187) 9.314 1.409 ( 0.116 -11.816 0.637) 11.834 1.526 ( 3.551 9.145 3.092) 10.286 1.615 ( -1.618 0.080 0.443) 1.679 1.686 ( -3.582 1.234 -1.923) 4.249 1.775 ( 2.654 -5.988 1.100) 6.641 1.989 ( -2.006 1.182 1.915) 3.014 2.010 ( -0.949 -0.598 1.051) 1.538 2.106 ( 4.072 2.574 -0.581) 4.852 2.150 ( 6.051 -1.060 -0.148) 6.145 2.194 ( 0.060 3.494 0.811) 3.587 2.292 ( -1.848 5.064 -0.955) 5.474 2.323 ( -1.315 -8.425 -0.720) 8.557 2.415 ( -1.234 -6.651 -1.428) 6.914 2.697 ( 3.816 8.807 2.172) 9.841 2.775 ( 0.512 2.844 0.753) 2.986 2.903 ( -0.002 -0.882 0.294) 0.930 2.946 ( 2.140 -5.359 -1.107) 5.876 3.097 ( -1.125 9.434 -1.097) 9.564 3.211 ( -5.530 -3.457 -1.316) 6.653 3.321 ( -6.071 1.802 0.226) 6.336 3.394 ( -2.705 -3.471 1.115) 4.540 3.631 ( 0.179 5.769 -0.668) 5.810 3.717 ( -2.049 -2.607 -0.683) 3.385 3.860 ( 1.488 7.365 -1.003) 7.581 4.011 ( 0.655 -7.325 -0.844) 7.403 4.745 ( 2.678 0.122 0.098) 2.683 4.788 ( 1.894 -3.770 0.101) 4.220 5.190 ( -1.751 0.976 -0.260) 2.021 5.257 ( -0.954 -5.340 -0.247) 5.431 5.618 ( -0.305 1.824 0.237) 1.865 5.641 ( 0.098 -0.732 0.184) 0.761 6.225 ( 1.999 3.801 -0.684) 4.348 6.291 ( 2.564 -2.702 -0.619) 3.776 6.504 ( -2.187 6.604 -0.047) 6.957 6.581 ( -0.404 1.300 -0.019) 1.362 6.623 ( -0.356 0.356 0.075) 0.509 6.649 ( -1.776 -2.233 0.045) 2.853 6.714 ( -1.333 1.097 0.288) 1.750 6.719 ( 0.075 -0.036 0.038) 0.092 6.811 ( 0.521 -1.518 -0.089) 1.607 6.838 ( 0.501 -3.954 -0.505) 4.018 6.947 ( -0.128 1.774 0.570) 1.867 7.009 ( -0.001 -4.405 0.428) 4.426 8.136 ( -0.375 1.271 0.124) 1.331 8.169 ( -0.340 -2.027 0.650) 2.155======================= Grid point 90 (48/104) =======================q-point: ( 0.38 0.43 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.994 ( 4.724 9.475 -0.812) 10.619 1.074 ( 5.262 3.431 -1.755) 6.522 1.319 ( 4.421 -3.163 -4.263) 6.908 1.401 ( -2.125 -8.835 -0.284) 9.091 1.506 ( -1.218 4.282 0.487) 4.478 1.558 ( -1.185 -0.912 -0.218) 1.511 1.776 ( 6.672 5.366 3.124) 9.114 1.821 ( -0.853 0.186 0.951) 1.291 1.956 ( -1.462 2.648 2.385) 3.852 2.023 ( 1.547 -3.799 1.272) 4.295 2.140 ( -0.785 3.955 -0.744) 4.101 2.173 ( -1.792 1.046 -0.239) 2.089 2.230 ( -1.591 1.676 1.240) 2.623 2.320 ( 3.519 -6.190 0.237) 7.125 2.341 ( 6.561 -0.012 0.850) 6.616 2.408 ( 2.042 -5.187 -1.536) 5.782 2.727 ( -1.828 7.285 0.460) 7.525 2.776 ( -0.725 1.888 1.005) 2.259 2.890 ( -0.334 2.454 1.451) 2.870 2.970 ( -1.464 -5.549 -0.128) 5.740 3.072 ( -1.225 1.282 -0.680) 1.899 3.097 ( -4.006 -2.392 -1.319) 4.848 3.210 ( -3.540 7.613 -0.524) 8.412 3.359 ( -1.163 -6.146 -0.234) 6.260 3.631 ( 0.191 4.377 -0.603) 4.422 3.673 ( -1.886 -0.217 -0.510) 1.966 3.877 ( 0.700 7.193 -1.042) 7.302 4.013 ( 0.030 -6.482 -0.877) 6.541 4.798 ( 2.283 -0.991 -0.013) 2.489 4.821 ( 1.134 -3.131 -0.004) 3.330 5.162 ( -0.869 1.533 -0.279) 1.784 5.238 ( -0.708 -5.789 -0.270) 5.839 5.617 ( -0.018 2.025 0.359) 2.057 5.645 ( 0.180 -1.158 0.263) 1.201 6.266 ( 2.206 4.018 -0.367) 4.598 6.327 ( 0.779 -1.850 -0.298) 2.029 6.467 ( -0.745 4.814 -0.151) 4.874 6.545 ( -2.775 -1.745 -0.047) 3.278 6.619 ( 0.116 1.343 -0.054) 1.349 6.636 ( 0.020 1.100 0.011) 1.101 6.695 ( -0.700 1.697 0.181) 1.844 6.722 ( 0.117 -1.349 0.083) 1.357 6.817 ( 0.192 -1.641 -0.160) 1.660 6.845 ( 0.407 -3.959 -0.512) 4.013 6.947 ( -0.162 1.984 0.640) 2.091 7.011 ( -0.038 -4.370 0.569) 4.407 8.131 ( -0.168 1.078 0.165) 1.103 8.165 ( -0.324 -2.265 0.471) 2.336======================= Grid point 91 (49/104) =======================q-point: (-0.50 0.43 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.035 ( 0.431 8.740 -0.152) 8.752 1.172 ( 3.466 0.241 -1.794) 3.910 1.313 ( -1.387 -4.335 -4.182) 6.181 1.360 ( 1.532 -4.827 -4.407) 6.713 1.521 ( 0.653 4.859 0.115) 4.904 1.588 ( 2.438 -1.820 -0.576) 3.097 1.779 ( -2.089 1.890 1.598) 3.238 1.825 ( -2.742 -1.804 2.272) 3.992 1.952 ( -2.707 4.601 0.394) 5.353 2.016 ( -2.605 -2.652 -0.514) 3.753 2.109 ( 1.021 4.740 -1.227) 5.001 2.169 ( 1.154 2.321 0.782) 2.707 2.223 ( 0.428 0.800 1.218) 1.519 2.349 ( 0.173 -8.043 1.153) 8.127 2.435 ( 0.457 2.361 2.763) 3.662 2.500 ( 2.397 -3.761 4.012) 5.999 2.698 ( -0.209 6.024 -0.023) 6.028 2.745 ( -2.134 0.973 0.567) 2.413 2.874 ( -2.933 2.145 -0.576) 3.679 2.920 ( 0.205 -2.730 0.556) 2.793 3.045 ( 1.538 0.190 -0.581) 1.655 3.078 ( 0.607 -3.634 -1.451) 3.960 3.178 ( -0.103 8.924 -0.921) 8.972 3.339 ( -0.583 -6.358 -1.433) 6.543 3.639 ( 0.567 1.718 -0.502) 1.877 3.646 ( -0.028 1.693 -0.516) 1.770 3.882 ( 0.369 7.250 -0.974) 7.324 4.011 ( 0.350 -6.072 -0.797) 6.134 4.825 ( 0.200 -2.032 -0.052) 2.043 4.831 ( 0.035 -2.204 -0.002) 2.204 5.152 ( -0.051 1.467 -0.290) 1.496 5.228 ( -0.148 -5.731 -0.402) 5.747 5.619 ( 0.019 2.088 0.480) 2.142 5.649 ( 0.031 -1.280 0.345) 1.326 6.300 ( 0.025 3.478 -0.171) 3.482 6.320 ( 0.207 1.351 -0.049) 1.368 6.480 ( 0.419 0.357 -0.038) 0.552 6.496 ( -0.313 -0.738 -0.344) 0.872 6.621 ( -0.032 1.828 -0.130) 1.832 6.637 ( -0.099 1.460 -0.089) 1.466 6.688 ( -0.055 1.911 0.140) 1.917 6.723 ( -0.022 -1.679 0.120) 1.684 6.819 ( 0.129 -1.561 -0.149) 1.573 6.850 ( 0.275 -4.044 -0.409) 4.074 6.947 ( -0.203 2.107 0.638) 2.210 7.012 ( -0.159 -4.390 0.611) 4.435 8.131 ( 0.129 0.770 0.264) 0.824 8.162 ( -0.145 -2.218 0.381) 2.255======================= Grid point 92 (50/104) =======================q-point: (-0.38 0.43 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.022 ( -1.399 9.378 0.026) 9.481 1.184 ( -1.112 -1.719 1.431) 2.498 1.291 ( -1.274 -1.993 -2.836) 3.693 1.368 ( 0.185 -5.195 -2.109) 5.610 1.518 ( -0.806 6.497 -1.238) 6.663 1.621 ( 1.452 -2.578 -0.530) 3.006 1.738 ( -4.495 0.638 1.694) 4.846 1.756 ( -2.147 -0.963 2.353) 3.328 1.910 ( -0.158 1.791 1.051) 2.082 1.967 ( -0.659 -4.053 -0.386) 4.124 2.124 ( -0.279 5.316 -1.221) 5.462 2.196 ( -0.067 -0.944 -0.282) 0.987 2.219 ( -1.446 2.962 0.609) 3.352 2.344 ( -1.041 -7.321 0.552) 7.415 2.416 ( -2.790 3.341 4.964) 6.602 2.498 ( -2.344 -4.248 2.596) 5.503 2.666 ( -4.691 7.693 -2.438) 9.335 2.697 ( -0.456 3.576 -1.697) 3.984 2.844 ( 1.190 2.183 -0.582) 2.553 2.952 ( -0.280 -8.040 -1.675) 8.217 3.105 ( 3.780 6.813 1.094) 7.868 3.136 ( 5.108 -0.523 0.165) 5.137 3.192 ( 2.706 2.903 -1.209) 4.149 3.330 ( 0.853 -6.507 -0.959) 6.633 3.637 ( 0.265 3.639 -0.561) 3.691 3.679 ( 2.532 -0.677 -0.434) 2.657 3.883 ( 0.053 7.354 -0.791) 7.397 4.019 ( 0.649 -6.377 -0.617) 6.439 4.803 ( -2.160 -1.092 0.174) 2.426 4.822 ( -1.080 -2.845 0.046) 3.043 5.157 ( 0.788 1.331 -0.432) 1.606 5.231 ( 0.734 -5.795 -0.493) 5.862 5.621 ( -0.038 2.002 0.503) 2.064 5.649 ( -0.186 -1.149 0.390) 1.228 6.268 ( -1.940 4.229 -0.323) 4.664 6.332 ( -0.576 -1.848 -0.167) 1.942 6.470 ( 0.805 4.553 -0.079) 4.624 6.545 ( 3.090 -1.986 -0.048) 3.673 6.616 ( -0.243 1.442 -0.147) 1.469 6.632 ( -0.230 1.243 -0.122) 1.270 6.694 ( 0.577 1.872 0.150) 1.964 6.722 ( -0.157 -1.284 0.091) 1.296 6.820 ( -0.038 -1.442 -0.081) 1.445 6.852 ( 0.078 -4.145 -0.302) 4.156 6.946 ( -0.190 2.049 0.592) 2.142 7.011 ( -0.256 -4.428 0.557) 4.470 8.138 ( 0.365 0.502 0.351) 0.713 8.162 ( 0.028 -1.923 0.452) 1.976======================= Grid point 93 (51/104) =======================q-point: (-0.25 0.43 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.001 ( -1.525 14.176 2.111) 14.413 1.110 ( -7.246 7.687 4.540) 11.499 1.197 ( -7.862 -5.057 3.216) 9.886 1.391 ( 2.281 -15.427 0.335) 15.599 1.469 ( -2.435 7.720 1.324) 8.203 1.590 ( -3.992 -2.666 0.415) 4.818 1.733 ( 2.460 1.701 -0.657) 3.062 1.779 ( 4.375 -1.238 -0.126) 4.549 1.939 ( 1.576 1.864 1.427) 2.828 1.974 ( 0.379 -0.707 -0.064) 0.805 2.070 ( -3.785 0.956 -2.008) 4.390 2.113 ( -5.698 -2.160 -2.076) 6.438 2.216 ( -0.089 4.269 1.157) 4.424 2.328 ( -0.206 -3.650 -0.117) 3.658 2.395 ( -1.398 -0.045 2.876) 3.198 2.465 ( -1.484 -4.583 1.055) 4.931 2.574 ( -2.291 9.438 -2.408) 10.006 2.678 ( -0.487 0.500 -2.505) 2.601 2.879 ( 1.356 -0.574 -0.642) 1.607 2.917 ( -0.999 -4.536 -2.294) 5.180 3.132 ( 0.319 9.227 0.527) 9.247 3.234 ( 2.072 -2.698 -2.067) 3.980 3.278 ( 6.268 3.300 0.268) 7.089 3.394 ( 4.909 -5.283 1.130) 7.300 3.641 ( 0.232 5.717 -0.670) 5.761 3.730 ( 2.533 -2.961 -0.430) 3.920 3.873 ( -0.821 7.430 -0.477) 7.491 4.023 ( -0.211 -7.158 -0.376) 7.171 4.751 ( -2.871 0.045 0.302) 2.887 4.790 ( -1.959 -3.517 0.177) 4.030 5.182 ( 1.875 0.967 -0.517) 2.172 5.250 ( 1.249 -5.499 -0.458) 5.657 5.623 ( 0.090 1.809 0.407) 1.857 5.647 ( -0.225 -0.800 0.355) 0.903 6.229 ( -1.658 3.970 -0.594) 4.343 6.295 ( -2.356 -2.621 -0.492) 3.559 6.507 ( 2.260 6.505 0.070) 6.887 6.585 ( 0.241 1.495 0.111) 1.519 6.621 ( 0.372 0.058 0.016) 0.377 6.639 ( 2.006 -2.279 -0.265) 3.048 6.712 ( 1.027 1.137 0.249) 1.552 6.718 ( -0.045 0.066 0.022) 0.083 6.815 ( -0.515 -1.138 -0.018) 1.249 6.850 ( -0.224 -4.152 -0.147) 4.161 6.945 ( -0.112 1.824 0.503) 1.896 7.008 ( -0.208 -4.474 0.403) 4.497 8.148 ( 0.378 0.341 0.333) 0.608 8.166 ( -0.004 -1.490 0.719) 1.655======================= Grid point 94 (52/104) =======================q-point: (-0.12 0.43 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.895 ( -10.435 8.272 9.212) 16.192 1.038 ( -8.468 -2.992 4.840) 10.202 1.052 ( -1.408 15.200 2.751) 15.511 1.384 ( -1.952 -11.089 0.080) 11.260 1.478 ( 0.811 3.308 3.602) 4.958 1.549 ( -1.140 1.369 0.744) 1.931 1.768 ( 1.178 0.996 -0.680) 1.686 1.847 ( 1.609 -2.112 -3.436) 4.342 1.952 ( 0.996 1.998 -0.934) 2.420 1.977 ( -1.493 1.217 -2.306) 3.005 2.007 ( 0.147 -2.601 0.033) 2.605 2.030 ( -0.830 -3.970 0.894) 4.153 2.216 ( -0.383 6.245 0.721) 6.298 2.329 ( 0.087 1.708 -0.333) 1.742 2.386 ( 0.137 -4.697 -0.009) 4.699 2.458 ( 0.293 -5.988 0.751) 6.042 2.555 ( 0.287 6.096 0.773) 6.151 2.657 ( -0.807 -2.478 -0.604) 2.675 2.871 ( -1.340 -0.292 -0.888) 1.634 2.901 ( 0.263 -2.303 -2.437) 3.363 3.148 ( 1.015 10.876 -0.073) 10.923 3.272 ( 3.061 -2.709 -2.317) 4.698 3.379 ( 3.515 3.953 0.335) 5.300 3.485 ( 2.992 -3.263 0.468) 4.452 3.639 ( -0.014 6.029 -0.844) 6.088 3.767 ( 1.246 -5.049 -0.519) 5.226 3.847 ( -1.479 7.437 -0.148) 7.584 4.007 ( -1.127 -7.824 -0.172) 7.906 4.702 ( -1.978 0.911 0.354) 2.206 4.756 ( -1.334 -3.848 0.144) 4.076 5.219 ( 1.768 0.063 -0.377) 1.808 5.271 ( 0.859 -4.512 -0.384) 4.609 5.629 ( 0.253 1.566 0.288) 1.612 5.644 ( -0.150 -0.279 0.245) 0.400 6.198 ( -0.957 3.091 -0.882) 3.354 6.248 ( -1.803 -1.723 -0.678) 2.585 6.543 ( 1.135 5.869 0.000) 5.978 6.581 ( -0.339 2.759 0.064) 2.780 6.626 ( 0.322 0.798 -0.006) 0.861 6.681 ( 1.225 -4.465 -0.140) 4.632 6.720 ( 0.785 1.966 0.123) 2.121 6.746 ( 1.811 -0.265 0.229) 1.845 6.800 ( -0.870 -1.014 0.024) 1.336 6.837 ( -1.065 -3.802 0.053) 3.949 6.946 ( 0.015 1.562 0.380) 1.608 7.007 ( -0.054 -4.488 0.212) 4.493 8.154 ( 0.080 0.348 0.187) 0.403 8.168 ( -0.149 -1.092 1.058) 1.528======================= Grid point 119 (53/104) =======================q-point: ( 0.00 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 104Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.327 ( 0.816 0.000 5.470) 5.531 0.666 ( 12.755 0.000 13.593) 18.641 0.789 ( -7.425 0.000 14.295) 16.108 1.159 ( -3.917 0.000 -1.523) 4.202 1.420 ( -6.833 0.000 -1.853) 7.080 1.468 ( 2.634 0.000 2.972) 3.971 1.768 ( 0.503 0.000 -1.120) 1.228 1.821 ( 2.117 0.000 -0.582) 2.196 1.912 ( -2.030 0.000 -1.047) 2.284 1.947 ( -0.678 0.000 0.442) 0.809 1.970 ( 2.599 0.000 -0.805) 2.721 2.154 ( -2.158 0.000 0.714) 2.273 2.173 ( -0.224 0.000 3.737) 3.744 2.325 ( 2.314 0.000 -5.057) 5.562 2.342 ( 0.235 0.000 -4.055) 4.062 2.549 ( -1.924 0.000 -0.468) 1.980 2.632 ( -1.070 0.000 -0.969) 1.443 2.660 ( 1.492 0.000 -1.243) 1.942 2.861 ( -0.855 0.000 -2.743) 2.873 2.924 ( 0.599 0.000 0.140) 0.615 3.018 ( 1.153 0.000 0.742) 1.371 3.086 ( -0.974 0.000 -0.443) 1.070 3.172 ( 2.076 0.000 -0.259) 2.093 3.462 ( 2.349 0.000 -1.504) 2.789 3.507 ( 1.267 0.000 2.759) 3.036 3.649 ( -0.098 0.000 -0.652) 0.659 3.975 ( -0.749 0.000 0.587) 0.952 4.431 ( -0.255 0.000 -0.318) 0.407 4.747 ( 0.179 0.000 -0.271) 0.325 4.772 ( -0.154 0.000 0.854) 0.867 5.400 ( 0.026 0.000 -0.096) 0.100 5.427 ( -0.233 0.000 0.522) 0.572 5.584 ( 0.605 0.000 -0.476) 0.770 5.736 ( -0.482 0.000 -0.504) 0.697 6.010 ( -0.050 0.000 0.275) 0.279 6.148 ( -0.005 0.000 -0.204) 0.204 6.279 ( 0.012 0.000 0.023) 0.026 6.348 ( 0.040 0.000 0.024) 0.046 6.560 ( 0.002 0.000 -0.058) 0.058 6.686 ( -0.427 0.000 0.254) 0.497 6.740 ( -0.061 0.000 0.286) 0.293 6.838 ( 0.149 0.000 -0.038) 0.154 6.939 ( 0.194 0.000 0.039) 0.198 6.941 ( -0.078 0.000 0.464) 0.470 7.030 ( -0.159 0.000 0.155) 0.222 7.241 ( 0.373 0.000 -0.232) 0.439 8.162 ( -0.507 0.000 -0.350) 0.616 8.301 ( -2.963 0.000 -0.009) 2.963======================= Grid point 120 (54/104) =======================q-point: ( 0.12 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 96Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.449 ( 7.974 0.000 2.169) 8.264 0.652 ( -9.363 0.000 15.570) 18.168 0.900 ( 3.476 0.000 -5.238) 6.286 1.118 ( -0.064 0.000 2.823) 2.824 1.403 ( 5.582 0.000 4.587) 7.225 1.498 ( -0.321 0.000 -0.543) 0.631 1.768 ( 0.230 0.000 -1.109) 1.132 1.879 ( 1.169 0.000 1.720) 2.080 1.891 ( 2.656 0.000 -1.652) 3.128 1.924 ( -2.083 0.000 1.256) 2.433 2.068 ( 6.620 0.000 -1.353) 6.757 2.120 ( -1.549 0.000 2.262) 2.741 2.170 ( -2.207 0.000 3.424) 4.073 2.271 ( -2.766 0.000 -1.999) 3.412 2.311 ( -1.054 0.000 -4.280) 4.408 2.490 ( -2.866 0.000 0.904) 3.005 2.630 ( 0.975 0.000 -0.453) 1.075 2.684 ( 0.953 0.000 -1.234) 1.560 2.824 ( -2.236 0.000 0.059) 2.237 2.985 ( 4.970 0.000 -0.578) 5.004 3.058 ( 1.680 0.000 -1.018) 1.965 3.112 ( 4.001 0.000 -0.151) 4.004 3.231 ( 4.032 0.000 -1.589) 4.334 3.449 ( -2.568 0.000 -3.036) 3.977 3.515 ( -2.327 0.000 -0.329) 2.350 3.622 ( -2.078 0.000 -0.527) 2.144 3.924 ( -4.375 0.000 1.013) 4.491 4.418 ( -0.766 0.000 -0.235) 0.801 4.751 ( 0.259 0.000 -0.332) 0.421 4.806 ( 2.859 0.000 0.730) 2.951 5.412 ( 1.145 0.000 -0.230) 1.168 5.425 ( -0.207 0.000 0.638) 0.670 5.515 ( -4.795 0.000 -0.788) 4.859 5.812 ( 5.601 0.000 -0.287) 5.608 6.018 ( 0.664 0.000 0.235) 0.705 6.146 ( -0.041 0.000 -0.166) 0.171 6.279 ( 0.037 0.000 -0.014) 0.040 6.354 ( 0.526 0.000 0.014) 0.526 6.545 ( -1.310 0.000 -0.083) 1.313 6.669 ( -1.284 0.000 0.589) 1.413 6.743 ( 0.229 0.000 0.294) 0.373 6.827 ( -1.250 0.000 -0.023) 1.250 6.938 ( -0.385 0.000 0.426) 0.574 6.952 ( 1.142 0.000 -0.196) 1.159 7.035 ( 0.428 0.000 0.230) 0.486 7.250 ( 0.432 0.000 -0.598) 0.738 8.128 ( -1.742 0.000 0.590) 1.839 8.282 ( 0.065 0.000 1.923) 1.924======================= Grid point 121 (55/104) =======================q-point: ( 0.25 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 104Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.599 ( 0.956 0.000 8.367) 8.421 0.641 ( 10.159 0.000 1.575) 10.280 0.925 ( 4.421 0.000 -6.101) 7.534 1.175 ( 3.155 0.000 5.233) 6.110 1.454 ( -2.766 0.000 -3.961) 4.831 1.542 ( 5.131 0.000 -0.001) 5.131 1.773 ( 0.633 0.000 -0.602) 0.873 1.840 ( -3.015 0.000 -1.462) 3.351 1.877 ( -3.199 0.000 2.201) 3.883 1.978 ( 0.191 0.000 6.574) 6.577 2.093 ( -6.299 0.000 1.268) 6.426 2.113 ( 0.145 0.000 2.268) 2.273 2.205 ( 7.589 0.000 -2.638) 8.034 2.289 ( 0.442 0.000 -1.793) 1.847 2.295 ( 6.574 0.000 -0.759) 6.618 2.454 ( -1.362 0.000 1.062) 1.727 2.666 ( 2.266 0.000 1.724) 2.847 2.690 ( 0.415 0.000 -0.983) 1.067 2.792 ( -0.733 0.000 1.369) 1.553 3.050 ( -1.863 0.000 -1.288) 2.265 3.090 ( 5.239 0.000 -0.960) 5.326 3.222 ( 5.992 0.000 -0.691) 6.031 3.277 ( -3.218 0.000 -1.010) 3.373 3.361 ( -1.055 0.000 -5.614) 5.713 3.421 ( -5.327 0.000 1.599) 5.562 3.573 ( -2.268 0.000 -0.573) 2.340 3.827 ( -5.154 0.000 0.763) 5.210 4.402 ( -0.703 0.000 -0.199) 0.731 4.751 ( -0.116 0.000 -0.353) 0.372 4.873 ( 3.002 0.000 0.556) 3.053 5.418 ( -1.747 0.000 -0.706) 1.885 5.425 ( -0.102 0.000 0.773) 0.780 5.450 ( 0.274 0.000 -0.326) 0.426 5.907 ( 3.472 0.000 -0.054) 3.473 6.033 ( 0.668 0.000 0.174) 0.690 6.144 ( -0.081 0.000 -0.147) 0.168 6.281 ( 0.235 0.000 -0.061) 0.243 6.368 ( 0.857 0.000 0.023) 0.857 6.520 ( -0.749 0.000 -0.247) 0.788 6.642 ( -1.560 0.000 0.463) 1.627 6.750 ( 0.320 0.000 0.326) 0.457 6.791 ( -2.271 0.000 -0.078) 2.272 6.931 ( -0.529 0.000 0.365) 0.642 6.980 ( 1.680 0.000 -0.423) 1.733 7.042 ( 0.070 0.000 0.249) 0.259 7.251 ( -0.051 0.000 -0.250) 0.256 8.119 ( 0.399 0.000 0.666) 0.777 8.294 ( 0.030 0.000 1.566) 1.566======================= Grid point 122 (56/104) =======================q-point: ( 0.38 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 96Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.764 ( 9.834 0.000 3.648) 10.489 0.859 ( 9.677 0.000 3.148) 10.176 1.049 ( 9.634 0.000 -1.473) 9.746 1.257 ( 1.555 0.000 4.392) 4.659 1.365 ( -2.977 0.000 -6.206) 6.883 1.622 ( 4.175 0.000 -2.709) 4.977 1.759 ( -4.443 0.000 0.460) 4.467 1.780 ( -1.112 0.000 2.445) 2.686 1.829 ( -1.255 0.000 0.189) 1.269 1.960 ( -2.819 0.000 3.990) 4.886 1.970 ( -5.299 0.000 0.945) 5.383 2.138 ( 1.085 0.000 1.552) 1.893 2.300 ( 0.975 0.000 -0.710) 1.206 2.314 ( 2.554 0.000 -0.565) 2.616 2.438 ( -0.796 0.000 0.867) 1.177 2.447 ( 7.074 0.000 -0.330) 7.082 2.694 ( 0.414 0.000 -0.894) 0.985 2.726 ( 1.877 0.000 -0.491) 1.940 2.792 ( -1.090 0.000 -1.786) 2.093 2.983 ( -3.401 0.000 0.033) 3.402 3.112 ( -7.284 0.000 -0.976) 7.349 3.167 ( 2.560 0.000 -0.852) 2.698 3.265 ( -4.487 0.000 1.259) 4.660 3.337 ( 3.382 0.000 1.327) 3.633 3.435 ( 2.939 0.000 -1.102) 3.139 3.538 ( -0.745 0.000 -0.843) 1.125 3.745 ( -2.714 0.000 -0.514) 2.762 4.388 ( -0.485 0.000 -0.242) 0.542 4.744 ( -0.373 0.000 -0.334) 0.500 4.918 ( 1.154 0.000 0.282) 1.188 5.401 ( 0.825 0.000 -0.426) 0.929 5.428 ( -0.040 0.000 0.849) 0.850 5.461 ( 0.127 0.000 -0.332) 0.356 5.945 ( 0.546 0.000 0.160) 0.569 6.043 ( 0.239 0.000 0.129) 0.272 6.143 ( -0.008 0.000 -0.159) 0.160 6.286 ( 0.251 0.000 -0.072) 0.262 6.386 ( 0.723 0.000 0.028) 0.724 6.525 ( 1.438 0.000 -0.231) 1.457 6.612 ( -1.632 0.000 0.230) 1.648 6.740 ( -2.430 0.000 -0.378) 2.460 6.757 ( 0.153 0.000 0.373) 0.403 6.922 ( -0.403 0.000 0.307) 0.507 7.008 ( 1.136 0.000 -0.485) 1.235 7.040 ( -0.216 0.000 0.190) 0.287 7.249 ( -0.033 0.000 0.081) 0.088 8.140 ( 1.150 0.000 0.536) 1.269 8.297 ( -0.224 0.000 0.987) 1.012======================= Grid point 123 (57/104) =======================q-point: (-0.50 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 104Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.931 ( 6.041 0.000 -2.656) 6.599 1.021 ( 3.594 0.000 5.170) 6.296 1.188 ( -7.547 0.000 -1.547) 7.704 1.241 ( 6.034 0.000 0.421) 6.049 1.362 ( 3.784 0.000 -3.108) 4.897 1.652 ( -2.387 0.000 -0.063) 2.388 1.719 ( 2.491 0.000 -0.370) 2.518 1.748 ( -2.405 0.000 4.063) 4.721 1.844 ( 2.172 0.000 -1.279) 2.521 1.918 ( -0.223 0.000 1.166) 1.187 1.940 ( -0.446 0.000 3.111) 3.142 2.161 ( 0.164 0.000 0.114) 0.200 2.309 ( -0.896 0.000 1.777) 1.990 2.316 ( 0.837 0.000 -0.843) 1.187 2.431 ( -0.189 0.000 0.853) 0.874 2.536 ( -0.874 0.000 -0.339) 0.937 2.609 ( -9.836 0.000 -2.904) 10.256 2.697 ( 0.191 0.000 -0.857) 0.878 2.721 ( -3.536 0.000 -1.537) 3.856 2.970 ( 2.238 0.000 3.068) 3.798 3.083 ( 1.455 0.000 -0.466) 1.527 3.184 ( -0.517 0.000 -0.495) 0.716 3.225 ( 0.673 0.000 1.879) 1.996 3.390 ( 0.928 0.000 0.510) 1.059 3.475 ( 1.553 0.000 -0.222) 1.569 3.533 ( 0.631 0.000 -1.151) 1.312 3.717 ( 0.397 0.000 -1.773) 1.817 4.384 ( 0.211 0.000 -0.335) 0.396 4.737 ( -0.071 0.000 -0.267) 0.276 4.929 ( 0.103 0.000 0.049) 0.114 5.420 ( -0.286 0.000 -0.022) 0.287 5.431 ( -0.096 0.000 0.833) 0.839 5.456 ( 0.557 0.000 -0.555) 0.786 5.948 ( 0.099 0.000 0.122) 0.157 6.046 ( 0.023 0.000 0.092) 0.095 6.142 ( 0.044 0.000 -0.168) 0.174 6.289 ( 0.010 0.000 -0.066) 0.067 6.393 ( -0.062 0.000 0.045) 0.077 6.563 ( 0.842 0.000 0.125) 0.852 6.578 ( -0.604 0.000 -0.197) 0.636 6.705 ( -0.454 0.000 -0.364) 0.582 6.759 ( -0.099 0.000 0.401) 0.413 6.919 ( -0.093 0.000 0.292) 0.307 7.013 ( -0.526 0.000 -0.087) 0.533 7.043 ( 0.482 0.000 -0.198) 0.521 7.251 ( 0.096 0.000 0.127) 0.160 8.162 ( 0.744 0.000 0.176) 0.765 8.297 ( -0.143 0.000 0.780) 0.793======================= Grid point 124 (58/104) =======================q-point: (-0.38 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 96Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.932 ( -12.519 0.000 0.926) 12.553 0.976 ( -1.138 0.000 -3.613) 3.788 1.141 ( 2.722 0.000 3.811) 4.683 1.174 ( -10.183 0.000 -6.501) 12.081 1.408 ( 1.164 0.000 -3.222) 3.426 1.618 ( 0.110 0.000 -1.770) 1.773 1.734 ( -0.520 0.000 2.286) 2.345 1.763 ( 0.476 0.000 0.909) 1.026 1.890 ( 2.493 0.000 -0.497) 2.542 1.961 ( 0.280 0.000 4.704) 4.712 1.967 ( 4.342 0.000 1.017) 4.460 2.142 ( -0.869 0.000 0.360) 0.940 2.324 ( 0.622 0.000 -1.454) 1.581 2.368 ( -6.918 0.000 -5.585) 8.891 2.386 ( -5.985 0.000 2.033) 6.321 2.421 ( 0.083 0.000 10.116) 10.116 2.442 ( 0.873 0.000 0.786) 1.174 2.693 ( -0.146 0.000 -0.861) 0.873 2.741 ( 2.499 0.000 1.424) 2.876 3.027 ( 1.431 0.000 -0.796) 1.638 3.115 ( 3.685 0.000 -1.027) 3.825 3.146 ( -3.095 0.000 -0.156) 3.099 3.273 ( 1.493 0.000 2.110) 2.585 3.372 ( -2.836 0.000 -0.842) 2.959 3.493 ( 0.859 0.000 -2.820) 2.948 3.550 ( 1.600 0.000 -1.227) 2.016 3.750 ( 3.716 0.000 -0.701) 3.782 4.394 ( 0.982 0.000 -0.445) 1.078 4.739 ( 0.320 0.000 -0.184) 0.369 4.921 ( -1.252 0.000 0.205) 1.269 5.398 ( -0.508 0.000 -0.357) 0.621 5.431 ( -0.180 0.000 0.735) 0.757 5.467 ( -0.013 0.000 -0.510) 0.511 5.952 ( -0.192 0.000 -0.063) 0.202 6.045 ( -0.271 0.000 0.087) 0.284 6.143 ( 0.133 0.000 -0.172) 0.217 6.286 ( -0.244 0.000 -0.061) 0.251 6.384 ( -0.812 0.000 0.080) 0.816 6.527 ( -1.645 0.000 -0.327) 1.678 6.613 ( 1.777 0.000 0.171) 1.785 6.725 ( 2.279 0.000 0.127) 2.283 6.757 ( -0.335 0.000 0.382) 0.508 6.921 ( 0.215 0.000 0.337) 0.400 6.994 ( -1.212 0.000 0.045) 1.213 7.051 ( 0.255 0.000 -0.201) 0.324 7.253 ( 0.123 0.000 -0.049) 0.132 8.168 ( -0.068 0.000 -0.578) 0.582 8.303 ( 0.442 0.000 1.009) 1.102======================= Grid point 125 (59/104) =======================q-point: (-0.25 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 104Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.662 ( -13.954 0.000 0.904) 13.983 0.723 ( -19.369 0.000 -5.165) 20.046 1.001 ( -4.701 0.000 -1.056) 4.818 1.241 ( 4.537 0.000 5.692) 7.279 1.371 ( -2.857 0.000 -3.601) 4.597 1.628 ( 1.139 0.000 -3.440) 3.624 1.742 ( 0.557 0.000 0.415) 0.695 1.757 ( -1.438 0.000 3.458) 3.745 1.930 ( 1.491 0.000 0.056) 1.492 1.986 ( -0.132 0.000 5.654) 5.656 2.073 ( 4.644 0.000 1.487) 4.876 2.118 ( -3.628 0.000 1.354) 3.873 2.190 ( -3.334 0.000 -1.215) 3.548 2.226 ( -7.902 0.000 -0.219) 7.905 2.331 ( 1.050 0.000 -2.402) 2.621 2.474 ( 2.197 0.000 0.211) 2.207 2.612 ( 7.199 0.000 6.026) 9.388 2.684 ( -0.421 0.000 -0.811) 0.914 2.779 ( 1.345 0.000 0.219) 1.363 3.049 ( 2.097 0.000 -1.694) 2.696 3.061 ( -5.025 0.000 0.028) 5.026 3.191 ( 0.464 0.000 -1.693) 1.755 3.259 ( -3.084 0.000 1.036) 3.253 3.303 ( -0.442 0.000 -1.256) 1.331 3.497 ( 0.835 0.000 -2.553) 2.687 3.587 ( 2.532 0.000 -1.051) 2.741 3.846 ( 5.297 0.000 0.119) 5.298 4.414 ( 1.089 0.000 -0.627) 1.256 4.745 ( 0.248 0.000 -0.151) 0.290 4.874 ( -3.469 0.000 0.595) 3.520 5.418 ( 2.173 0.000 -0.743) 2.296 5.431 ( -0.200 0.000 0.603) 0.635 5.453 ( -0.319 0.000 -0.428) 0.533 5.918 ( -3.308 0.000 -0.439) 3.337 6.034 ( -0.804 0.000 0.152) 0.818 6.146 ( 0.212 0.000 -0.198) 0.291 6.281 ( -0.228 0.000 -0.036) 0.230 6.366 ( -0.876 0.000 0.093) 0.881 6.517 ( 0.762 0.000 -0.183) 0.784 6.647 ( 1.556 0.000 0.291) 1.583 6.750 ( -0.472 0.000 0.338) 0.581 6.780 ( 2.650 0.000 0.302) 2.667 6.929 ( 0.348 0.000 0.409) 0.537 6.967 ( -1.412 0.000 0.036) 1.412 7.050 ( -0.289 0.000 -0.038) 0.292 7.253 ( -0.106 0.000 -0.297) 0.315 8.158 ( -0.258 0.000 -1.043) 1.075 8.325 ( 1.283 0.000 0.739) 1.481======================= Grid point 126 (60/104) =======================q-point: (-0.12 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 96Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.413 ( -10.688 0.000 3.634) 11.289 0.427 ( -3.871 0.000 10.877) 11.546 0.898 ( -7.128 0.000 7.211) 10.140 1.264 ( -4.529 0.000 -3.659) 5.822 1.373 ( 4.454 0.000 5.266) 6.897 1.573 ( -5.935 0.000 -0.975) 6.015 1.757 ( 0.902 0.000 -0.707) 1.146 1.775 ( 2.294 0.000 0.831) 2.440 1.949 ( 0.353 0.000 0.251) 0.433 1.956 ( -3.424 0.000 1.671) 3.810 2.035 ( -6.621 0.000 -1.529) 6.795 2.146 ( 1.629 0.000 2.857) 3.289 2.179 ( -0.178 0.000 -0.664) 0.688 2.189 ( 7.858 0.000 1.356) 7.975 2.343 ( 1.235 0.000 -3.393) 3.610 2.530 ( 3.165 0.000 -0.880) 3.285 2.666 ( -1.010 0.000 -0.709) 1.234 2.674 ( -1.036 0.000 -1.874) 2.141 2.845 ( 3.821 0.000 0.611) 3.870 2.963 ( -4.122 0.000 0.220) 4.128 3.069 ( -6.463 0.000 -1.563) 6.649 3.089 ( 1.978 0.000 -1.066) 2.247 3.196 ( -4.124 0.000 0.020) 4.124 3.382 ( 5.708 0.000 -0.844) 5.770 3.493 ( -0.789 0.000 1.341) 1.556 3.632 ( 2.009 0.000 -0.837) 2.177 3.942 ( 3.614 0.000 0.391) 3.635 4.429 ( 0.621 0.000 -0.610) 0.870 4.747 ( 0.033 0.000 -0.193) 0.196 4.805 ( -3.186 0.000 0.820) 3.290 5.413 ( -1.079 0.000 -0.229) 1.103 5.429 ( -0.203 0.000 0.510) 0.549 5.512 ( 4.778 0.000 -0.802) 4.845 5.822 ( -5.497 0.000 -0.575) 5.527 6.018 ( -0.790 0.000 0.243) 0.826 6.148 ( 0.077 0.000 -0.221) 0.234 6.278 ( -0.010 0.000 0.007) 0.012 6.352 ( -0.481 0.000 0.063) 0.485 6.544 ( 1.482 0.000 -0.061) 1.484 6.677 ( 1.132 0.000 0.189) 1.148 6.743 ( -0.359 0.000 0.302) 0.469 6.823 ( 1.421 0.000 0.076) 1.423 6.937 ( 0.220 0.000 0.459) 0.509 6.944 ( -0.762 0.000 0.049) 0.764 7.039 ( -0.684 0.000 0.076) 0.689 7.245 ( -0.489 0.000 -0.262) 0.554 8.156 ( 0.524 0.000 -0.716) 0.887 8.346 ( 0.094 0.000 -1.213) 1.217======================= Grid point 127 (61/104) =======================q-point: ( 0.00 0.14 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 170Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.541 ( 4.592 4.209 9.084) 11.014 0.746 ( 2.810 17.543 0.040) 17.766 0.791 ( -10.121 1.924 12.938) 16.539 1.237 ( 2.242 3.154 5.382) 6.628 1.429 ( -5.140 3.661 -0.311) 6.318 1.508 ( 1.557 2.400 1.131) 3.076 1.802 ( -1.557 3.075 -1.956) 3.963 1.818 ( 2.177 -0.511 -1.254) 2.564 1.902 ( 0.957 -1.452 0.224) 1.753 1.963 ( -0.826 2.051 -2.149) 3.084 2.067 ( 0.154 6.444 1.739) 6.676 2.114 ( -1.103 -2.000 1.531) 2.750 2.188 ( -1.389 -0.935 1.401) 2.183 2.235 ( 2.676 -4.225 -3.132) 5.901 2.396 ( -0.201 5.732 -2.320) 6.186 2.608 ( 0.955 1.429 -0.135) 1.724 2.621 ( -0.802 1.856 -0.384) 2.058 2.669 ( -0.693 -2.529 -2.063) 3.337 2.741 ( 1.096 -6.554 -1.019) 6.723 2.887 ( -0.260 -2.182 -2.856) 3.604 3.036 ( -2.166 -3.809 -0.206) 4.386 3.090 ( 2.890 6.092 -0.182) 6.745 3.313 ( 0.692 10.738 0.038) 10.760 3.452 ( 2.105 -0.842 -1.730) 2.852 3.479 ( 0.821 -2.478 2.150) 3.382 3.681 ( -0.433 2.245 -0.510) 2.343 3.954 ( -0.770 -2.074 0.696) 2.320 4.332 ( -0.174 -8.548 -0.401) 8.559 4.748 ( -0.376 -2.077 0.793) 2.255 4.775 ( 0.414 1.866 -0.169) 1.919 5.393 ( 0.045 -0.931 -0.165) 0.947 5.439 ( 0.076 -2.225 0.197) 2.235 5.535 ( 0.069 -1.099 -0.166) 1.114 5.694 ( -0.282 -3.287 -0.409) 3.324 6.051 ( 0.164 3.095 -0.787) 3.198 6.181 ( 0.032 2.585 -0.256) 2.598 6.343 ( 0.020 5.788 0.008) 5.788 6.378 ( -0.026 2.850 0.024) 2.851 6.573 ( 0.032 1.245 -0.052) 1.246 6.688 ( -0.333 0.380 0.484) 0.700 6.738 ( -0.035 -0.224 0.144) 0.269 6.827 ( 0.106 -1.081 -0.050) 1.087 6.920 ( 0.478 -1.849 0.070) 1.911 6.928 ( -0.371 -1.434 0.356) 1.524 7.003 ( -0.178 -2.463 0.152) 2.474 7.203 ( 0.206 -3.718 -0.167) 3.728 8.148 ( -0.696 -0.912 -0.159) 1.159 8.271 ( -1.549 -2.290 1.142) 2.991======================= Grid point 128 (62/104) =======================q-point: ( 0.12 0.14 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.638 ( -7.933 -1.158 10.354) 13.095 0.698 ( 6.123 12.135 5.226) 14.562 0.822 ( 4.408 6.499 0.083) 7.853 1.303 ( -4.503 5.504 -2.412) 7.509 1.379 ( 6.112 3.921 6.117) 9.495 1.529 ( -0.211 1.920 -1.198) 2.272 1.788 ( 0.480 0.987 -0.750) 1.329 1.880 ( 4.522 -0.413 1.469) 4.772 1.914 ( -0.232 3.646 -0.927) 3.769 1.992 ( 2.566 1.535 0.097) 2.992 2.059 ( -0.362 0.329 0.984) 1.099 2.111 ( 0.455 1.363 1.602) 2.152 2.156 ( -2.758 -1.610 2.233) 3.897 2.230 ( -0.670 -1.903 -2.893) 3.527 2.377 ( -0.184 5.274 -1.801) 5.576 2.545 ( -4.508 4.097 -1.086) 6.188 2.617 ( 0.614 -0.898 0.314) 1.132 2.665 ( 0.449 -3.757 -0.013) 3.784 2.775 ( 1.572 -2.186 -1.018) 2.879 2.896 ( 1.128 -2.806 -0.875) 3.148 3.039 ( 3.349 -3.155 -0.717) 4.657 3.189 ( 6.127 3.934 -1.633) 7.462 3.329 ( 1.039 9.609 -0.336) 9.671 3.430 ( -3.077 -1.598 -2.855) 4.492 3.477 ( -2.537 -3.344 -0.080) 4.198 3.657 ( -1.696 2.598 -0.062) 3.104 3.906 ( -4.079 -1.710 0.994) 4.533 4.323 ( -0.527 -8.204 -0.290) 8.226 4.758 ( 0.870 -0.681 0.177) 1.119 4.806 ( 2.577 0.608 0.233) 2.658 5.376 ( -1.694 -3.292 -0.310) 3.716 5.440 ( -0.219 -2.474 -0.189) 2.491 5.507 ( -1.461 2.599 0.183) 2.987 5.735 ( 3.254 -5.698 -0.133) 6.563 6.054 ( 0.547 2.952 -0.469) 3.038 6.199 ( 1.765 3.656 -0.230) 4.066 6.328 ( -1.185 4.426 -0.033) 4.581 6.390 ( 0.913 3.571 0.019) 3.686 6.560 ( -1.211 1.497 -0.084) 1.927 6.672 ( -1.372 0.359 0.575) 1.530 6.741 ( 0.147 -0.299 0.205) 0.391 6.816 ( -1.155 -1.019 -0.024) 1.541 6.920 ( -0.145 -2.063 0.177) 2.076 6.937 ( 0.841 -1.315 0.048) 1.561 7.006 ( 0.314 -2.628 0.243) 2.658 7.208 ( 0.318 -3.958 -0.346) 3.986 8.124 ( -1.200 -0.203 0.522) 1.324 8.266 ( 0.085 -1.515 1.657) 2.247======================= Grid point 129 (63/104) =======================q-point: ( 0.25 0.14 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 170Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.606 ( 2.219 1.769 6.576) 7.162 0.809 ( 3.641 6.057 -0.583) 7.092 0.953 ( 8.051 12.362 2.000) 14.887 1.283 ( 2.932 6.158 1.559) 6.997 1.484 ( 2.358 -0.476 0.449) 2.447 1.494 ( -0.793 0.214 -4.103) 4.185 1.793 ( 0.214 0.201 -1.286) 1.319 1.887 ( -1.839 5.164 -0.883) 5.552 1.899 ( -6.166 -1.576 4.859) 8.007 2.017 ( -0.870 6.197 1.452) 6.424 2.073 ( 0.223 -0.303 2.892) 2.917 2.121 ( -0.978 -0.441 2.020) 2.287 2.191 ( 6.476 -0.451 -2.394) 6.919 2.250 ( 4.510 -1.295 -0.269) 4.700 2.381 ( 1.720 4.416 -1.814) 5.074 2.466 ( -2.501 0.600 0.070) 2.573 2.655 ( 2.306 -1.743 1.316) 3.176 2.684 ( 1.634 -3.477 0.514) 3.876 2.773 ( -1.016 2.873 -0.613) 3.108 2.920 ( 1.364 -4.374 0.007) 4.581 3.132 ( 5.310 -3.220 -1.257) 6.336 3.267 ( -2.042 1.287 -2.982) 3.837 3.328 ( -2.250 5.150 -0.336) 5.630 3.353 ( -0.448 1.524 -3.518) 3.860 3.384 ( -3.247 -2.312 1.296) 4.191 3.621 ( -1.557 3.767 -0.215) 4.082 3.813 ( -5.160 -1.277 0.716) 5.364 4.310 ( -0.683 -7.853 -0.264) 7.888 4.776 ( 0.856 1.256 -0.177) 1.530 4.867 ( 2.848 -0.448 0.457) 2.919 5.330 ( -2.095 -5.695 -0.538) 6.092 5.433 ( -0.109 -1.673 -0.337) 1.710 5.500 ( 0.152 4.091 0.560) 4.132 5.791 ( 2.031 -8.005 0.138) 8.260 6.069 ( 1.116 2.917 -0.230) 3.131 6.233 ( 0.767 6.293 -0.056) 6.340 6.309 ( 0.118 2.173 -0.170) 2.183 6.409 ( 0.841 3.884 0.015) 3.974 6.534 ( -0.967 1.682 -0.194) 1.950 6.643 ( -1.640 0.098 0.418) 1.695 6.743 ( -0.163 -0.782 0.240) 0.834 6.784 ( -1.792 -0.637 -0.073) 1.904 6.918 ( -0.244 -1.444 0.351) 1.506 6.960 ( 1.426 -1.889 -0.356) 2.394 7.011 ( -0.052 -2.892 0.268) 2.905 7.210 ( 0.029 -3.883 -0.101) 3.884 8.117 ( 0.264 -0.053 0.581) 0.640 8.275 ( -0.024 -1.764 1.325) 2.206======================= Grid point 130 (64/104) =======================q-point: ( 0.38 0.14 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.771 ( 10.064 0.782 3.031) 10.539 0.891 ( 5.753 0.260 -1.181) 5.879 1.120 ( 5.794 10.953 4.511) 13.187 1.388 ( 5.439 8.707 0.939) 10.309 1.427 ( -2.579 5.545 -3.995) 7.304 1.555 ( 4.559 -4.596 -2.861) 7.078 1.729 ( -6.848 -2.512 0.555) 7.315 1.812 ( -2.421 -0.452 2.334) 3.393 1.866 ( 0.635 4.505 0.338) 4.562 1.977 ( -2.351 4.994 1.946) 5.853 2.039 ( -4.522 3.537 2.122) 6.121 2.127 ( 0.614 -1.160 1.066) 1.691 2.284 ( 2.480 -2.503 -0.606) 3.575 2.327 ( 1.981 3.161 -0.566) 3.773 2.421 ( 0.824 -0.702 -1.952) 2.232 2.488 ( 5.349 2.257 2.284) 6.239 2.689 ( 0.621 -7.547 -0.224) 7.576 2.736 ( 1.469 0.058 -1.660) 2.217 2.750 ( -0.479 5.137 -0.348) 5.171 2.938 ( -0.185 -2.189 -0.471) 2.247 3.097 ( -7.540 -1.275 -1.190) 7.739 3.212 ( 1.815 -1.398 -0.544) 2.355 3.229 ( -5.809 -2.289 0.953) 6.316 3.336 ( 0.866 2.416 0.838) 2.700 3.445 ( 3.907 1.580 -0.950) 4.321 3.601 ( -0.177 5.011 -0.821) 5.081 3.724 ( -3.397 -1.798 -0.311) 3.856 4.295 ( -0.583 -7.850 -0.346) 7.879 4.789 ( 0.433 3.136 -0.201) 3.172 4.910 ( 1.109 -0.854 0.268) 1.425 5.308 ( 0.197 -6.354 -0.334) 6.365 5.433 ( 0.180 -1.899 -0.397) 1.949 5.505 ( -0.083 3.742 0.692) 3.807 5.816 ( 0.492 -8.477 0.253) 8.495 6.094 ( 1.358 3.453 -0.119) 3.712 6.212 ( -2.029 5.069 -0.071) 5.461 6.342 ( 2.220 4.097 -0.082) 4.660 6.420 ( 0.188 3.522 0.015) 3.527 6.530 ( 0.869 0.898 -0.198) 1.265 6.611 ( -1.684 -0.069 0.186) 1.695 6.722 ( -1.805 -1.470 -0.241) 2.340 6.763 ( -0.286 0.206 0.196) 0.403 6.914 ( -0.256 -0.910 0.364) 1.013 6.985 ( 1.061 -2.312 -0.497) 2.592 7.007 ( -0.289 -3.067 0.228) 3.089 7.211 ( 0.009 -3.710 0.178) 3.714 8.133 ( 0.894 -0.530 0.490) 1.149 8.277 ( -0.262 -1.945 0.860) 2.142======================= Grid point 131 (65/104) =======================q-point: (-0.50 0.14 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 170Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.943 ( 5.917 1.653 -2.560) 6.655 1.013 ( 3.602 -5.210 0.605) 6.362 1.182 ( -2.278 8.699 4.754) 10.172 1.375 ( 1.245 5.886 -4.438) 7.476 1.471 ( 1.865 7.820 -0.484) 8.054 1.591 ( -4.828 -2.739 0.513) 5.575 1.652 ( 3.946 -4.712 -2.383) 6.592 1.816 ( 1.834 3.937 2.965) 5.259 1.879 ( -0.604 2.317 -0.161) 2.400 1.961 ( -3.195 3.171 2.394) 5.098 1.979 ( 2.094 4.828 2.279) 5.735 2.138 ( -0.015 -2.248 0.080) 2.250 2.297 ( -0.331 -0.625 1.490) 1.650 2.359 ( 1.735 2.813 -0.644) 3.367 2.403 ( -1.617 0.060 0.072) 1.620 2.594 ( 1.653 3.961 1.442) 4.528 2.618 ( -10.253 1.160 -2.869) 10.710 2.662 ( -3.017 -4.708 -1.612) 5.820 2.744 ( -0.021 4.348 -0.323) 4.360 2.921 ( 0.533 -3.845 1.986) 4.360 3.057 ( 1.384 -2.124 -0.586) 2.602 3.186 ( 1.046 -2.879 1.944) 3.628 3.221 ( 0.296 0.984 -0.956) 1.403 3.360 ( 0.562 -1.712 0.394) 1.845 3.497 ( 1.290 2.608 -0.042) 2.910 3.601 ( 0.551 5.451 -1.138) 5.596 3.686 ( 0.353 -2.896 -1.547) 3.303 4.288 ( 0.203 -7.931 -0.438) 7.946 4.792 ( -0.047 4.039 -0.153) 4.042 4.920 ( 0.070 -1.018 0.046) 1.021 5.316 ( 0.023 -6.620 -0.100) 6.621 5.434 ( 0.190 -2.542 -0.576) 2.614 5.506 ( -0.035 3.888 0.791) 3.968 5.821 ( 0.043 -8.308 0.211) 8.311 6.112 ( -0.028 4.227 -0.009) 4.227 6.184 ( 0.055 3.708 -0.206) 3.714 6.370 ( 0.185 6.326 -0.022) 6.328 6.419 ( -0.117 2.474 0.021) 2.477 6.560 ( 0.684 -0.181 0.115) 0.717 6.578 ( -0.504 0.005 -0.240) 0.558 6.694 ( -0.394 -0.963 -0.293) 1.081 6.761 ( -0.085 0.099 0.315) 0.341 6.912 ( -0.089 -0.709 0.353) 0.797 6.987 ( -0.596 -2.552 0.011) 2.620 7.012 ( 0.615 -2.935 -0.306) 3.014 7.212 ( 0.042 -3.684 0.231) 3.692 8.152 ( 0.654 -0.899 0.174) 1.125 8.275 ( -0.192 -2.057 0.711) 2.185======================= Grid point 132 (66/104) =======================q-point: (-0.38 0.14 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.899 ( -12.347 -4.078 -2.169) 13.183 0.996 ( 0.695 2.645 -3.698) 4.600 1.187 ( 0.780 8.763 5.554) 10.404 1.338 ( -6.294 10.112 -5.773) 13.236 1.472 ( -1.522 2.393 -1.124) 3.050 1.538 ( 1.850 -2.067 -1.331) 3.077 1.722 ( 2.531 -3.153 0.267) 4.052 1.840 ( -0.317 2.946 0.322) 2.980 1.901 ( 3.019 2.218 1.109) 3.907 1.949 ( 0.263 2.648 2.621) 3.735 2.042 ( 2.216 5.381 2.689) 6.410 2.128 ( -0.757 -1.881 0.225) 2.040 2.280 ( -3.286 -2.991 -1.928) 4.843 2.344 ( -3.456 -2.236 0.775) 4.189 2.393 ( -6.629 1.676 -2.279) 7.207 2.443 ( 2.831 3.085 7.722) 8.784 2.532 ( -2.935 6.449 0.763) 7.127 2.671 ( 0.954 -5.794 0.674) 5.910 2.743 ( 0.175 4.497 -0.229) 4.506 2.937 ( -0.623 -6.074 -0.100) 6.107 3.111 ( 4.443 -0.339 -1.263) 4.631 3.203 ( 0.136 1.479 -0.230) 1.503 3.258 ( 2.039 -1.997 0.729) 2.946 3.353 ( -1.080 -0.149 -0.236) 1.115 3.488 ( -1.388 0.666 -2.375) 2.830 3.611 ( 1.095 4.667 -1.182) 4.937 3.732 ( 4.452 -1.556 -0.572) 4.751 4.299 ( 1.054 -7.914 -0.495) 7.999 4.786 ( -0.432 3.326 -0.114) 3.356 4.912 ( -1.231 -0.965 0.213) 1.579 5.307 ( -0.130 -6.334 -0.304) 6.343 5.435 ( 0.099 -2.042 -0.474) 2.099 5.509 ( -0.086 3.695 0.562) 3.738 5.821 ( -0.274 -8.570 0.097) 8.575 6.093 ( -1.359 3.351 -0.091) 3.617 6.213 ( 2.204 5.091 -0.105) 5.548 6.345 ( -2.259 4.310 -0.186) 4.870 6.418 ( -0.121 3.608 0.059) 3.611 6.533 ( -1.086 0.804 -0.280) 1.380 6.612 ( 1.854 -0.151 0.150) 1.867 6.710 ( 1.805 -1.322 0.148) 2.242 6.761 ( -0.046 0.189 0.278) 0.339 6.913 ( 0.047 -0.875 0.373) 0.952 6.970 ( -1.030 -2.262 0.093) 2.487 7.021 ( 0.323 -2.887 -0.293) 2.920 7.214 ( 0.010 -3.801 0.077) 3.802 8.158 ( 0.057 -0.846 -0.484) 0.976 8.279 ( 0.222 -2.247 0.974) 2.459======================= Grid point 133 (67/104) =======================q-point: (-0.25 0.14 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 170Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.613 ( -13.431 0.212 -0.730) 13.453 0.926 ( -7.087 9.601 -0.588) 11.948 1.091 ( -9.423 12.637 -2.531) 15.966 1.291 ( 2.791 4.304 4.516) 6.835 1.405 ( -4.189 1.175 -1.829) 4.720 1.572 ( 1.450 -1.604 -3.160) 3.829 1.743 ( 0.149 -0.048 1.682) 1.689 1.855 ( 0.790 5.008 0.166) 5.073 1.949 ( 0.433 -2.334 4.440) 5.035 1.984 ( 1.348 4.096 1.470) 4.556 2.070 ( -1.928 0.566 0.439) 2.057 2.123 ( 1.409 1.017 1.672) 2.412 2.189 ( -1.666 -0.155 -0.835) 1.870 2.216 ( -6.496 -1.112 -0.551) 6.614 2.364 ( 0.909 1.919 -1.400) 2.543 2.496 ( 1.717 1.612 -0.525) 2.413 2.590 ( 3.985 -0.335 5.585) 6.870 2.674 ( -0.796 -5.240 0.053) 5.300 2.752 ( 0.492 1.425 0.051) 1.509 2.914 ( -0.568 -3.296 -0.459) 3.376 3.152 ( -2.999 -2.629 -2.715) 4.824 3.213 ( 3.503 1.736 -1.272) 4.111 3.276 ( -1.996 1.269 1.200) 2.652 3.327 ( 0.363 4.803 -0.383) 4.832 3.459 ( 0.140 -1.586 -2.326) 2.818 3.638 ( 2.009 3.541 -0.833) 4.155 3.835 ( 5.292 -1.121 -0.055) 5.410 4.320 ( 1.048 -7.966 -0.584) 8.056 4.774 ( -0.720 1.603 -0.086) 1.759 4.866 ( -3.345 -0.605 0.529) 3.441 5.328 ( 2.270 -5.875 -0.471) 6.316 5.435 ( 0.164 -1.826 -0.418) 1.880 5.506 ( -0.359 4.111 0.393) 4.145 5.801 ( -1.866 -8.101 -0.194) 8.316 6.068 ( -1.006 2.868 -0.185) 3.045 6.238 ( -0.695 6.414 -0.210) 6.455 6.308 ( -0.189 2.123 -0.113) 2.134 6.409 ( -0.803 4.099 0.003) 4.176 6.531 ( 0.976 1.663 -0.132) 1.933 6.646 ( 1.583 -0.011 0.299) 1.611 6.742 ( 0.403 -0.915 0.267) 1.035 6.775 ( 1.777 -0.480 0.266) 1.859 6.915 ( -0.077 -1.586 0.373) 1.631 6.949 ( -1.000 -1.511 0.094) 1.814 7.021 ( -0.209 -2.776 -0.108) 2.786 7.212 ( -0.162 -3.921 -0.146) 3.927 8.153 ( -0.117 -0.490 -0.921) 1.050 8.292 ( 0.504 -2.870 1.040) 3.094======================= Grid point 134 (68/104) =======================q-point: (-0.12 0.14 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.454 ( -2.114 5.322 7.948) 9.797 0.759 ( -6.439 23.106 1.516) 24.035 0.931 ( -8.104 5.035 5.713) 11.120 1.273 ( -4.966 -0.339 -0.767) 5.036 1.405 ( 3.341 2.651 4.925) 6.515 1.548 ( -2.720 -0.802 -1.430) 3.176 1.773 ( 2.364 0.028 -0.321) 2.386 1.848 ( -1.394 6.660 -0.690) 6.839 1.926 ( -3.714 -1.520 1.263) 4.206 2.006 ( 0.457 -1.247 2.488) 2.820 2.054 ( -1.961 4.900 0.039) 5.278 2.117 ( 0.324 -0.833 -0.453) 1.002 2.167 ( 2.498 0.032 -1.893) 3.134 2.201 ( 0.650 -0.454 1.350) 1.566 2.385 ( 1.858 4.292 -2.024) 5.096 2.550 ( 3.831 0.676 -1.155) 4.058 2.642 ( -1.390 -2.788 -0.257) 3.126 2.666 ( 1.601 -2.226 0.393) 2.770 2.748 ( -0.820 -5.294 0.045) 5.358 2.919 ( 0.136 0.640 -1.175) 1.344 3.056 ( -2.970 -2.892 -2.046) 4.623 3.160 ( -5.971 3.323 -1.289) 6.954 3.291 ( 1.717 7.666 0.619) 7.880 3.383 ( 4.359 1.030 -0.765) 4.544 3.460 ( 0.151 -1.603 0.928) 1.859 3.674 ( 1.468 2.719 -0.684) 3.165 3.925 ( 3.254 -1.681 0.266) 3.672 4.332 ( 0.442 -8.304 -0.563) 8.335 4.759 ( -0.690 -0.396 0.176) 0.814 4.800 ( -2.903 0.430 0.465) 2.972 5.375 ( 1.962 -3.530 -0.263) 4.047 5.438 ( 0.164 -2.575 -0.168) 2.585 5.511 ( 1.108 2.800 0.080) 3.012 5.745 ( -3.311 -5.765 -0.446) 6.663 6.054 ( -0.243 2.946 -0.491) 2.996 6.201 ( -1.790 3.587 -0.274) 4.018 6.327 ( 1.256 4.477 -0.009) 4.650 6.390 ( -0.920 3.736 -0.001) 3.848 6.558 ( 1.343 1.481 -0.041) 2.000 6.677 ( 1.132 0.135 0.376) 1.201 6.741 ( -0.242 -0.292 0.173) 0.417 6.813 ( 1.391 -1.020 0.092) 1.727 6.914 ( -0.079 -2.354 0.241) 2.368 6.936 ( -0.455 -0.841 0.227) 0.983 7.012 ( -0.617 -2.598 0.047) 2.671 7.206 ( -0.348 -3.792 -0.170) 3.812 8.150 ( 0.270 -0.451 -0.698) 0.873 8.298 ( -0.695 -3.668 0.532) 3.771======================= Grid point 135 (69/104) =======================q-point: ( 0.00 0.29 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 170Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.686 ( 0.850 13.258 3.533) 13.747 0.859 ( -7.447 4.920 10.640) 13.887 1.049 ( -4.467 6.205 -0.982) 7.708 1.296 ( 0.524 6.910 4.625) 8.332 1.519 ( 2.308 -1.602 1.103) 3.018 1.545 ( 1.286 5.651 3.731) 6.892 1.791 ( 0.569 -2.296 -2.127) 3.181 1.868 ( -0.895 1.794 -1.841) 2.722 1.883 ( -0.616 1.178 -3.095) 3.368 1.998 ( 0.813 -4.422 -0.632) 4.540 2.043 ( -0.502 -1.522 -0.057) 1.604 2.082 ( -0.100 -0.947 1.436) 1.724 2.146 ( -0.790 0.376 1.083) 1.392 2.275 ( 1.068 3.239 -0.310) 3.425 2.505 ( 0.624 -0.471 0.978) 1.252 2.579 ( 1.687 -0.920 0.866) 2.107 2.595 ( -0.609 -6.379 -0.936) 6.476 2.645 ( 0.584 2.376 -0.606) 2.521 2.782 ( 0.472 10.976 -0.374) 10.992 2.876 ( -0.447 -0.126 -3.919) 3.946 2.939 ( -0.414 -2.534 -0.345) 2.591 3.254 ( 0.932 8.062 -0.300) 8.121 3.422 ( 1.253 -1.400 -0.059) 1.880 3.435 ( 1.605 0.295 -0.874) 1.851 3.530 ( -0.815 8.547 -0.577) 8.605 3.713 ( -0.433 1.472 -0.077) 1.537 3.891 ( -0.596 -4.589 0.231) 4.633 4.149 ( -0.180 -9.184 -0.378) 9.194 4.703 ( -0.211 -2.076 0.588) 2.168 4.793 ( 0.126 -0.575 -0.043) 0.590 5.314 ( 0.268 -6.927 -0.205) 6.935 5.350 ( 0.069 -3.509 -0.325) 3.524 5.588 ( -0.130 3.600 0.260) 3.612 5.646 ( -0.188 -1.079 -0.155) 1.107 6.109 ( 0.219 2.822 -1.059) 3.022 6.219 ( 0.085 0.864 -0.447) 0.977 6.452 ( -0.037 4.583 -0.026) 4.583 6.472 ( -0.070 6.707 0.031) 6.707 6.603 ( 0.027 1.598 -0.029) 1.599 6.707 ( -0.197 1.591 0.576) 1.704 6.727 ( 0.057 -1.043 -0.068) 1.047 6.799 ( 0.085 -1.733 -0.120) 1.739 6.868 ( 1.371 -3.455 0.233) 3.724 6.879 ( -1.479 -3.476 0.042) 3.777 6.957 ( -0.078 -1.494 0.289) 1.524 7.109 ( 0.048 -5.385 -0.036) 5.385 8.141 ( -0.535 0.283 0.008) 0.605 8.228 ( -0.435 -2.087 1.272) 2.482======================= Grid point 136 (70/104) =======================q-point: ( 0.12 0.29 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.692 ( -2.951 8.280 7.009) 11.243 0.840 ( 2.109 8.389 6.327) 10.717 1.071 ( 5.519 6.338 3.688) 9.177 1.310 ( -0.210 4.312 2.212) 4.850 1.523 ( -2.136 0.064 -2.892) 3.596 1.570 ( -0.215 5.696 0.668) 5.739 1.778 ( -0.449 -1.900 -0.976) 2.183 1.885 ( 2.499 -0.152 1.599) 2.970 1.950 ( 5.776 -1.464 -0.254) 5.964 1.991 ( 0.347 -2.842 -0.272) 2.876 2.033 ( 0.048 0.432 -0.530) 0.686 2.083 ( -0.064 -0.738 1.003) 1.247 2.160 ( 1.173 0.566 1.768) 2.196 2.267 ( -1.616 3.249 -1.244) 3.836 2.495 ( -3.389 4.034 0.179) 5.272 2.545 ( -3.728 -3.916 -2.754) 6.068 2.556 ( 0.314 -5.145 1.019) 5.254 2.669 ( 0.947 4.197 -0.678) 4.356 2.820 ( 3.357 9.695 0.044) 10.259 2.906 ( 2.569 1.767 -1.912) 3.657 2.950 ( 2.419 -4.770 -0.449) 5.367 3.292 ( 2.808 5.424 -1.052) 6.198 3.388 ( -3.652 -1.835 -2.081) 4.586 3.421 ( -2.803 -0.836 -0.827) 3.040 3.524 ( -0.144 8.243 0.174) 8.246 3.703 ( -0.516 2.605 0.176) 2.661 3.855 ( -3.016 -3.798 0.457) 4.871 4.148 ( 0.121 -8.787 -0.299) 8.793 4.724 ( 1.815 -2.049 0.472) 2.777 4.811 ( 1.644 -1.016 0.014) 1.933 5.278 ( -2.787 -5.366 -0.464) 6.065 5.363 ( 0.593 -4.810 -0.341) 4.859 5.581 ( -0.499 3.598 0.348) 3.649 5.655 ( 0.856 -1.883 0.095) 2.071 6.115 ( 0.861 3.137 -0.832) 3.358 6.246 ( 2.658 0.749 -0.429) 2.795 6.425 ( -2.038 5.349 0.029) 5.724 6.487 ( 0.925 5.763 0.036) 5.837 6.598 ( -0.482 2.082 -0.041) 2.137 6.688 ( -1.720 1.413 0.430) 2.267 6.729 ( 0.093 -0.935 0.014) 0.940 6.787 ( -1.305 -2.086 -0.085) 2.462 6.859 ( -0.127 -3.715 0.045) 3.718 6.896 ( 1.076 -3.180 0.171) 3.361 6.957 ( -0.120 -1.573 0.333) 1.612 7.111 ( 0.168 -5.453 -0.017) 5.455 8.128 ( -0.686 0.694 0.378) 1.047 8.229 ( -0.076 -2.112 1.158) 2.410======================= Grid point 137 (71/104) =======================q-point: ( 0.25 0.29 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 170Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.710 ( 2.561 9.113 4.822) 10.623 0.905 ( 1.345 7.136 1.912) 7.509 1.242 ( 7.371 2.544 3.617) 8.596 1.333 ( 2.081 8.850 0.909) 9.137 1.488 ( 2.779 2.083 -2.410) 4.228 1.556 ( -0.853 3.065 -0.640) 3.245 1.771 ( -2.254 -4.083 2.043) 5.092 1.825 ( -5.283 -2.376 -0.727) 5.839 1.993 ( -1.498 3.924 1.772) 4.559 2.067 ( 1.539 -2.345 1.343) 3.110 2.095 ( 4.223 -1.347 0.707) 4.488 2.127 ( 4.050 3.505 -0.487) 5.378 2.201 ( -1.387 -0.292 -1.617) 2.151 2.231 ( 5.250 0.497 2.013) 5.645 2.428 ( -2.665 -2.975 -2.722) 4.834 2.458 ( -1.703 -0.463 -1.170) 2.118 2.586 ( 0.847 1.146 0.267) 1.450 2.691 ( 2.127 2.825 0.035) 3.536 2.882 ( 0.791 5.304 -0.640) 5.400 2.924 ( 1.700 5.354 1.808) 5.901 3.031 ( 4.638 -6.150 -1.853) 7.923 3.255 ( -6.008 -2.190 -3.117) 7.114 3.301 ( -6.773 -2.378 -0.328) 7.186 3.386 ( 2.758 3.103 -0.856) 4.239 3.505 ( -1.664 7.270 0.290) 7.464 3.694 ( -0.520 3.627 -0.047) 3.664 3.785 ( -3.642 -1.144 0.105) 3.819 4.146 ( -0.287 -8.091 -0.369) 8.104 4.771 ( 2.626 -1.459 0.240) 3.013 4.852 ( 2.048 -1.685 0.206) 2.660 5.219 ( -2.434 -4.630 -0.614) 5.266 5.365 ( -0.204 -5.435 -0.459) 5.458 5.576 ( -0.238 3.313 0.523) 3.362 5.675 ( 0.910 -3.134 0.314) 3.279 6.137 ( 1.612 3.778 -0.527) 4.141 6.312 ( 3.742 0.067 -0.364) 3.761 6.376 ( -2.779 5.945 0.078) 6.562 6.504 ( 0.607 5.229 0.031) 5.264 6.586 ( -0.595 3.100 -0.097) 3.158 6.650 ( -2.094 0.713 0.216) 2.223 6.722 ( -1.162 -1.144 0.122) 1.635 6.760 ( -0.739 -2.144 -0.128) 2.272 6.868 ( 0.586 -3.387 0.164) 3.442 6.912 ( 0.594 -3.426 -0.108) 3.479 6.954 ( -0.267 -1.667 0.359) 1.726 7.115 ( 0.147 -5.357 0.186) 5.362 8.121 ( -0.123 0.564 0.453) 0.733 8.231 ( -0.252 -2.548 0.897) 2.713======================= Grid point 138 (72/104) =======================q-point: ( 0.38 0.29 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.822 ( 6.534 5.757 1.092) 8.777 0.942 ( 3.064 5.244 -0.114) 6.074 1.320 ( 0.783 3.301 0.941) 3.520 1.414 ( 4.701 -0.485 -0.298) 4.736 1.519 ( -2.236 3.356 -2.265) 4.625 1.600 ( -0.957 -2.352 -0.963) 2.715 1.666 ( 1.206 4.787 2.011) 5.331 1.801 ( 0.853 0.315 0.401) 0.994 1.959 ( -2.436 3.248 2.170) 4.604 2.076 ( -0.916 -0.947 -0.197) 1.332 2.093 ( -2.325 5.553 0.258) 6.026 2.108 ( -2.747 0.687 1.712) 3.309 2.241 ( 2.475 -1.410 -0.088) 2.850 2.387 ( 1.998 -3.035 -3.012) 4.720 2.417 ( 6.456 3.550 0.465) 7.383 2.491 ( 5.303 -4.591 3.079) 7.660 2.581 ( -0.726 2.144 -0.436) 2.305 2.746 ( 2.169 0.989 -0.622) 2.463 2.859 ( -1.604 3.991 0.500) 4.330 2.976 ( 0.483 6.831 -1.574) 7.027 3.054 ( -4.367 -3.638 -0.771) 5.736 3.130 ( -1.779 -3.783 -0.849) 4.266 3.165 ( -4.761 -3.898 0.832) 6.209 3.401 ( -1.635 1.024 -0.806) 2.091 3.511 ( 3.015 5.437 -0.362) 6.227 3.668 ( -2.378 -0.013 -0.083) 2.379 3.731 ( -1.202 4.829 -0.809) 5.042 4.134 ( -0.512 -7.764 -0.527) 7.799 4.824 ( 2.257 -0.115 0.089) 2.262 4.881 ( 0.576 -2.216 0.138) 2.294 5.187 ( -0.412 -4.883 -0.441) 4.920 5.354 ( -0.521 -6.016 -0.571) 6.065 5.576 ( -0.078 3.223 0.673) 3.293 5.691 ( 0.496 -3.694 0.352) 3.744 6.173 ( 2.142 4.423 -0.313) 4.924 6.307 ( -3.124 3.905 -0.037) 5.001 6.397 ( 3.911 1.855 -0.114) 4.330 6.507 ( -0.570 4.411 0.056) 4.448 6.576 ( -0.264 3.605 -0.154) 3.618 6.610 ( -1.790 -0.037 -0.021) 1.790 6.692 ( -1.318 -1.189 -0.092) 1.777 6.756 ( -0.006 -1.159 0.037) 1.160 6.877 ( 0.237 -3.124 0.298) 3.147 6.921 ( 0.395 -4.178 -0.347) 4.211 6.951 ( -0.199 -1.434 0.311) 1.481 7.119 ( 0.073 -5.206 0.397) 5.222 8.126 ( 0.308 -0.057 0.405) 0.512 8.228 ( -0.382 -2.845 0.614) 2.935======================= Grid point 139 (73/104) =======================q-point: (-0.50 0.29 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 170Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.942 ( 2.909 0.713 0.767) 3.092 1.022 ( 4.656 4.754 -2.992) 7.296 1.332 ( -0.077 3.955 1.120) 4.112 1.413 ( -4.259 -4.920 -2.119) 6.844 1.464 ( 1.386 -2.542 -1.451) 3.238 1.557 ( 0.856 0.503 -2.366) 2.566 1.734 ( -0.053 8.184 -0.310) 8.190 1.854 ( 2.700 0.282 2.810) 3.907 1.915 ( -2.544 1.539 0.770) 3.071 2.028 ( -1.632 3.043 1.239) 3.669 2.081 ( -1.246 -2.621 0.566) 2.956 2.097 ( 1.980 5.605 1.744) 6.195 2.255 ( -0.066 -2.873 -1.148) 3.095 2.436 ( -0.236 4.116 1.716) 4.465 2.466 ( 2.669 2.353 1.722) 3.953 2.564 ( -0.714 -0.037 0.058) 0.717 2.639 ( 0.049 -1.052 1.150) 1.560 2.672 ( -6.914 3.666 -1.912) 8.056 2.832 ( -1.407 1.945 1.241) 2.702 2.913 ( -0.764 6.014 -0.986) 6.142 3.013 ( 0.653 -2.116 -0.384) 2.248 3.126 ( 1.869 -3.347 1.203) 4.018 3.153 ( 1.021 -5.701 -1.260) 5.927 3.368 ( -0.515 0.461 -0.826) 1.077 3.571 ( 1.085 4.337 -0.148) 4.473 3.626 ( 0.269 -2.137 -0.812) 2.302 3.720 ( 0.319 6.588 -1.141) 6.694 4.128 ( 0.254 -7.679 -0.641) 7.710 4.851 ( 0.111 1.277 0.009) 1.282 4.883 ( -0.061 -2.863 0.007) 2.864 5.187 ( 0.104 -5.450 -0.268) 5.458 5.344 ( -0.015 -6.367 -0.568) 6.392 5.578 ( -0.025 3.293 0.683) 3.364 5.697 ( 0.023 -3.741 0.295) 3.753 6.205 ( -0.088 5.095 -0.139) 5.097 6.263 ( 0.178 3.870 -0.155) 3.877 6.468 ( 1.322 2.405 0.111) 2.747 6.475 ( -1.049 2.460 -0.125) 2.678 6.577 ( 0.225 2.655 -0.019) 2.664 6.585 ( -0.334 0.975 -0.305) 1.075 6.676 ( -0.225 -0.518 -0.071) 0.570 6.756 ( -0.043 -0.940 0.117) 0.948 6.880 ( -0.093 -3.084 0.315) 3.101 6.924 ( 0.098 -3.709 -0.256) 3.719 6.950 ( 0.074 -1.932 0.099) 1.936 7.121 ( -0.076 -5.189 0.460) 5.210 8.135 ( 0.415 -0.562 0.192) 0.724 8.224 ( -0.233 -2.942 0.553) 3.002======================= Grid point 140 (74/104) =======================q-point: (-0.38 0.29 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.876 ( -7.719 2.984 -1.612) 8.432 1.072 ( 1.621 4.958 -3.997) 6.571 1.346 ( 0.872 5.473 2.297) 5.999 1.388 ( -0.374 -5.032 -0.212) 5.051 1.505 ( 2.161 1.732 -1.686) 3.242 1.565 ( 1.796 -0.724 -1.099) 2.226 1.696 ( -1.849 4.040 -0.775) 4.510 1.835 ( -3.202 -1.005 1.425) 3.646 1.934 ( 1.683 0.817 2.768) 3.341 2.033 ( -0.627 0.833 0.906) 1.381 2.073 ( 1.444 -1.105 1.776) 2.542 2.155 ( 2.318 4.225 1.078) 4.938 2.225 ( -2.770 -2.537 -1.495) 4.043 2.382 ( -8.159 7.574 -2.130) 11.334 2.422 ( -5.380 0.780 1.181) 5.563 2.528 ( -0.238 3.078 4.171) 5.189 2.544 ( -1.674 -3.521 -0.899) 4.001 2.645 ( -1.182 2.366 1.178) 2.895 2.837 ( 1.362 1.016 1.307) 2.143 2.891 ( -1.474 6.807 0.011) 6.965 3.094 ( 3.936 -2.969 -0.935) 5.018 3.140 ( 1.152 -4.309 -1.824) 4.819 3.207 ( 3.791 -2.677 -0.041) 4.641 3.383 ( 2.069 0.505 0.006) 2.129 3.535 ( -2.347 4.223 -1.381) 5.024 3.678 ( 2.756 0.192 -0.501) 2.807 3.737 ( 2.371 4.444 -0.968) 5.129 4.139 ( 1.066 -7.668 -0.657) 7.770 4.827 ( -2.155 0.253 -0.019) 2.170 4.880 ( -0.664 -2.344 0.178) 2.443 5.186 ( 0.374 -4.990 -0.398) 5.020 5.351 ( 0.735 -6.344 -0.456) 6.403 5.580 ( -0.053 3.240 0.536) 3.285 5.695 ( -0.412 -3.695 0.224) 3.725 6.172 ( -1.979 4.498 -0.270) 4.921 6.309 ( 3.157 3.997 -0.117) 5.095 6.402 ( -3.826 1.876 -0.283) 4.271 6.509 ( 0.733 4.596 -0.036) 4.654 6.574 ( 0.111 3.324 -0.100) 3.328 6.608 ( 1.986 -0.284 0.041) 2.007 6.684 ( 1.119 -0.824 0.178) 1.401 6.754 ( -0.148 -1.122 0.089) 1.135 6.876 ( -0.457 -3.121 0.258) 3.165 6.923 ( -0.105 -2.690 -0.141) 2.695 6.954 ( 0.195 -2.619 0.014) 2.627 7.120 ( -0.225 -5.309 0.368) 5.326 8.142 ( 0.287 -0.562 -0.229) 0.671 8.225 ( 0.058 -2.951 0.811) 3.061======================= Grid point 141 (75/104) =======================q-point: (-0.25 0.29 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 170Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.725 ( -5.277 11.436 0.212) 12.596 1.047 ( -2.947 5.373 -0.162) 6.131 1.324 ( -4.558 -1.196 0.739) 4.770 1.392 ( 1.060 5.899 4.398) 7.434 1.446 ( -6.542 11.186 -4.369) 13.675 1.578 ( -0.419 -0.693 -2.096) 2.247 1.745 ( 3.840 -0.769 0.853) 4.008 1.811 ( 1.999 -5.085 1.743) 5.735 1.951 ( -1.502 0.400 2.687) 3.104 1.999 ( -2.758 -1.314 2.246) 3.792 2.121 ( -3.514 -2.280 0.854) 4.275 2.142 ( 1.088 -0.348 1.158) 1.627 2.189 ( -0.725 0.671 0.089) 0.992 2.222 ( -2.985 6.087 -3.543) 7.650 2.403 ( 1.366 2.378 1.000) 2.919 2.485 ( -0.939 -2.644 -2.428) 3.710 2.557 ( 0.831 -2.464 1.393) 2.950 2.642 ( -0.488 1.522 2.104) 2.643 2.833 ( -2.472 6.706 0.883) 7.202 2.913 ( 2.985 1.620 1.123) 3.577 3.063 ( -3.751 -4.251 -2.436) 6.171 3.203 ( 3.983 -1.001 -1.978) 4.559 3.291 ( 3.759 -0.915 0.848) 3.960 3.406 ( -0.643 3.258 -1.363) 3.589 3.515 ( 1.510 5.810 -0.415) 6.017 3.706 ( 0.786 3.501 -0.531) 3.627 3.806 ( 4.041 -1.477 -0.574) 4.341 4.156 ( 0.682 -7.958 -0.642) 8.013 4.776 ( -2.725 -1.199 0.109) 2.979 4.850 ( -2.261 -1.541 0.289) 2.751 5.213 ( 2.532 -4.822 -0.424) 5.463 5.362 ( 0.465 -5.686 -0.379) 5.718 5.581 ( -0.012 3.308 0.358) 3.327 5.682 ( -0.882 -3.278 0.064) 3.395 6.136 ( -1.313 3.930 -0.521) 4.176 6.314 ( -3.590 0.050 -0.431) 3.617 6.379 ( 2.678 6.161 -0.055) 6.718 6.507 ( -0.653 5.284 -0.078) 5.325 6.583 ( 0.692 3.093 -0.015) 3.170 6.650 ( 2.036 0.415 0.226) 2.090 6.718 ( 1.601 -1.155 0.237) 1.988 6.754 ( 0.406 -1.979 0.088) 2.022 6.864 ( -0.791 -3.177 0.190) 3.280 6.919 ( -0.341 -2.224 -0.095) 2.252 6.957 ( 0.071 -2.620 0.123) 2.624 7.116 ( -0.290 -5.448 0.177) 5.459 8.145 ( 0.194 -0.155 -0.533) 0.588 8.232 ( 0.038 -3.000 1.108) 3.198======================= Grid point 142 (76/104) =======================q-point: (-0.12 0.29 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.675 ( -1.188 16.353 2.727) 16.621 0.965 ( -6.324 4.943 5.937) 9.984 1.221 ( -9.519 0.186 -0.934) 9.567 1.274 ( -2.454 16.313 1.612) 16.575 1.453 ( 2.464 1.643 3.590) 4.654 1.545 ( -1.823 -0.335 0.014) 1.854 1.781 ( 1.536 0.737 -1.790) 2.471 1.898 ( -1.318 -2.193 1.476) 2.954 1.929 ( 1.838 -2.052 -0.034) 2.755 1.948 ( -0.764 -1.325 0.323) 1.563 2.067 ( -1.454 -2.867 -0.229) 3.223 2.108 ( -3.096 -1.038 -1.012) 3.419 2.169 ( -1.445 0.685 1.586) 2.252 2.236 ( 2.628 3.820 -0.785) 4.703 2.481 ( 3.508 1.901 -0.484) 4.019 2.485 ( 3.193 -3.937 0.409) 5.085 2.582 ( 1.204 -2.980 0.038) 3.214 2.646 ( 0.193 1.261 0.510) 1.374 2.793 ( -1.503 7.714 0.473) 7.874 2.950 ( -0.576 -4.513 -0.204) 4.554 2.960 ( -4.054 2.429 -3.244) 5.732 3.249 ( 0.493 2.771 -0.189) 2.821 3.360 ( 3.626 1.709 -0.148) 4.011 3.400 ( 1.555 2.058 -0.823) 2.707 3.542 ( 0.433 7.154 -0.407) 7.178 3.716 ( 0.342 2.202 -0.263) 2.244 3.872 ( 2.420 -3.916 -0.253) 4.611 4.157 ( -0.210 -8.670 -0.535) 8.689 4.726 ( -2.148 -1.986 0.418) 2.955 4.808 ( -1.624 -0.725 0.111) 1.782 5.272 ( 3.099 -5.499 -0.283) 6.318 5.362 ( -0.367 -4.846 -0.300) 4.869 5.584 ( 0.198 3.537 0.257) 3.552 5.662 ( -1.049 -2.059 -0.136) 2.314 6.115 ( -0.446 3.243 -0.866) 3.386 6.247 ( -2.507 0.800 -0.446) 2.669 6.427 ( 1.933 5.512 -0.053) 5.842 6.489 ( -0.997 5.739 -0.026) 5.826 6.597 ( 0.589 2.096 -0.017) 2.177 6.689 ( 1.542 1.228 0.449) 2.022 6.729 ( -0.146 -0.969 -0.004) 0.980 6.783 ( 1.654 -2.179 0.067) 2.736 6.852 ( -0.186 -3.471 0.214) 3.483 6.906 ( -0.989 -2.630 -0.070) 2.810 6.957 ( -0.089 -1.971 0.258) 1.990 7.111 ( -0.205 -5.429 0.027) 5.433 8.146 ( 0.083 0.136 -0.431) 0.460 8.233 ( -0.482 -2.771 1.235) 3.072======================= Grid point 143 (77/104) =======================q-point: ( 0.00 0.43 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 170Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.930 ( -6.364 6.738 8.112) 12.317 1.021 ( -3.412 2.096 4.605) 6.102 1.064 ( -1.589 10.964 1.281) 11.152 1.364 ( -0.230 -11.106 -0.214) 11.111 1.485 ( -1.583 6.452 1.702) 6.858 1.599 ( -0.842 -2.933 1.556) 3.426 1.763 ( 1.846 1.749 0.051) 2.544 1.837 ( 1.953 -4.908 -0.354) 5.294 1.897 ( 1.174 1.361 -2.903) 3.414 1.922 ( 1.025 -0.674 -3.926) 4.113 2.053 ( -0.340 1.255 1.003) 1.642 2.076 ( 0.194 -0.526 1.807) 1.892 2.227 ( -0.367 6.430 1.307) 6.572 2.325 ( 0.476 1.128 -0.794) 1.459 2.410 ( 0.601 -4.791 1.646) 5.102 2.471 ( -0.198 -6.614 -0.546) 6.640 2.604 ( 0.088 3.637 1.684) 4.008 2.672 ( 1.350 -1.915 0.878) 2.502 2.828 ( 0.226 0.219 -1.241) 1.280 2.853 ( 1.023 -1.409 -2.511) 3.055 3.149 ( -0.215 13.663 -0.582) 13.677 3.300 ( 1.333 -2.687 0.003) 3.000 3.422 ( 0.625 2.369 -0.426) 2.487 3.495 ( -0.395 -0.009 -0.866) 0.952 3.611 ( 0.028 4.252 -1.019) 4.372 3.763 ( 0.035 -7.840 -0.693) 7.870 3.819 ( -0.587 8.357 -0.151) 8.379 3.985 ( -0.362 -7.984 -0.121) 7.993 4.688 ( -0.173 1.049 0.357) 1.121 4.744 ( -0.069 -3.839 0.095) 3.841 5.236 ( 0.234 -0.634 -0.204) 0.706 5.273 ( 0.167 -3.663 -0.311) 3.680 5.638 ( -0.089 1.305 0.230) 1.328 5.644 ( -0.160 0.297 0.092) 0.350 6.164 ( 0.140 2.738 -0.993) 2.916 6.210 ( 0.092 -1.689 -0.770) 1.859 6.550 ( -0.083 4.872 -0.108) 4.874 6.578 ( -0.054 3.042 0.057) 3.043 6.633 ( 0.091 1.504 0.053) 1.507 6.684 ( 0.008 -3.335 -0.164) 3.339 6.749 ( 0.295 2.256 0.443) 2.318 6.768 ( -0.199 -0.367 -0.200) 0.463 6.799 ( 1.055 -3.031 0.300) 3.224 6.809 ( -1.365 -3.330 -0.178) 3.603 6.955 ( -0.043 1.378 0.381) 1.431 7.011 ( -0.017 -4.184 0.208) 4.189 8.158 ( -0.288 1.333 0.344) 1.407 8.189 ( -0.199 -1.822 0.831) 2.013======================= Grid point 144 (78/104) =======================q-point: ( 0.12 0.43 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.879 ( -2.248 8.781 8.924) 12.720 1.017 ( 0.265 -3.063 7.100) 7.737 1.098 ( 3.778 12.770 0.904) 13.347 1.379 ( 1.839 -10.261 -0.605) 10.442 1.500 ( 1.992 7.302 2.635) 8.014 1.623 ( 2.337 -2.811 1.910) 4.124 1.748 ( -3.118 0.416 -1.101) 3.333 1.799 ( -4.267 -4.989 -0.732) 6.605 1.948 ( 4.250 1.331 -2.958) 5.346 1.968 ( 5.335 -0.470 -3.102) 6.189 2.055 ( -0.058 2.133 1.217) 2.457 2.085 ( 0.468 -0.129 1.280) 1.369 2.224 ( -0.606 4.844 1.768) 5.193 2.309 ( -1.488 0.559 -1.559) 2.227 2.385 ( -3.381 -5.529 1.315) 6.612 2.436 ( -2.367 -6.040 -1.481) 6.654 2.643 ( 3.293 6.784 1.201) 7.636 2.732 ( 3.054 -0.061 -0.518) 3.099 2.852 ( 2.576 -1.867 -1.114) 3.370 2.874 ( 2.186 -1.909 -2.508) 3.836 3.123 ( -1.886 12.576 -0.233) 12.718 3.281 ( -3.013 -4.471 -0.979) 5.479 3.404 ( -2.196 2.797 -0.661) 3.617 3.464 ( -2.418 0.309 0.041) 2.438 3.616 ( 0.602 4.400 -0.519) 4.471 3.745 ( -1.422 -6.534 -0.487) 6.705 3.822 ( 0.897 8.301 -0.110) 8.350 3.988 ( 0.576 -7.960 -0.135) 7.982 4.705 ( 1.580 0.733 0.372) 1.781 4.757 ( 1.265 -3.859 0.161) 4.064 5.220 ( -1.503 0.000 -0.392) 1.554 5.267 ( -0.552 -4.278 -0.385) 4.331 5.631 ( -0.503 1.483 0.255) 1.586 5.644 ( 0.009 -0.045 0.238) 0.243 6.176 ( 1.507 3.102 -0.819) 3.544 6.230 ( 2.128 -2.099 -0.656) 3.060 6.539 ( -1.139 5.792 0.005) 5.903 6.580 ( 0.208 2.665 0.077) 2.675 6.630 ( -0.262 1.055 0.017) 1.087 6.680 ( -0.718 -4.083 -0.161) 4.149 6.729 ( -1.291 1.906 0.024) 2.302 6.752 ( -1.745 -0.111 0.201) 1.760 6.799 ( 0.550 -2.019 -0.007) 2.092 6.822 ( 0.794 -3.697 0.053) 3.781 6.957 ( -0.008 1.504 0.418) 1.561 7.013 ( 0.134 -4.169 0.269) 4.180 8.151 ( -0.541 1.600 0.461) 1.750 8.188 ( -0.362 -2.073 0.746) 2.232======================= Grid point 145 (79/104) =======================q-point: ( 0.25 0.43 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 170Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.917 ( 2.208 10.263 5.569) 11.883 1.056 ( 0.056 1.014 4.919) 5.023 1.191 ( 4.295 4.767 -0.700) 6.455 1.410 ( 0.976 -9.303 -0.393) 9.363 1.568 ( -1.041 5.177 1.010) 5.377 1.600 ( -2.007 1.033 -1.404) 2.658 1.702 ( 0.240 2.003 2.468) 3.188 1.790 ( 3.735 -3.317 0.476) 5.017 2.013 ( 1.536 -1.035 0.870) 2.047 2.026 ( -0.499 -1.167 -0.078) 1.271 2.093 ( 5.369 2.738 -0.381) 6.039 2.154 ( 6.278 -1.613 0.351) 6.491 2.216 ( -0.784 2.560 1.139) 2.909 2.267 ( -0.881 2.623 -1.756) 3.277 2.316 ( -3.270 -4.872 0.354) 5.879 2.384 ( -1.392 -5.734 -1.527) 6.095 2.714 ( 2.621 7.416 -0.628) 7.890 2.766 ( 1.024 3.272 -1.497) 3.741 2.899 ( 1.220 -2.037 -0.751) 2.490 2.913 ( 3.166 -4.377 -2.156) 5.817 3.092 ( -1.047 7.318 0.820) 7.438 3.191 ( -4.961 -3.849 -0.792) 6.329 3.317 ( -6.106 4.243 -0.631) 7.463 3.408 ( -3.161 -2.543 0.350) 4.072 3.622 ( 0.139 5.204 -0.302) 5.214 3.708 ( -2.012 -3.025 -0.282) 3.644 3.844 ( 1.104 7.492 -0.532) 7.592 3.998 ( 0.337 -7.462 -0.419) 7.481 4.749 ( 2.508 0.055 0.311) 2.528 4.791 ( 1.820 -3.765 0.191) 4.186 5.182 ( -1.738 1.098 -0.524) 2.121 5.249 ( -0.932 -5.305 -0.463) 5.406 5.625 ( -0.219 1.730 0.383) 1.785 5.647 ( 0.137 -0.698 0.343) 0.790 6.212 ( 2.270 3.815 -0.555) 4.474 6.280 ( 2.767 -2.829 -0.466) 3.985 6.504 ( -2.224 6.568 0.060) 6.934 6.582 ( -0.427 1.362 0.115) 1.432 6.624 ( -0.452 0.229 0.010) 0.507 6.647 ( -1.687 -2.139 -0.279) 2.738 6.718 ( -0.559 0.726 0.082) 0.921 6.721 ( -0.747 0.457 0.152) 0.889 6.810 ( 0.453 -1.933 -0.003) 1.985 6.831 ( 0.257 -3.917 -0.182) 3.930 6.959 ( -0.016 1.784 0.508) 1.855 7.018 ( 0.179 -4.173 0.433) 4.199 8.142 ( -0.487 1.576 0.446) 1.708 8.182 ( -0.513 -2.376 0.592) 2.501======================= Grid point 146 (80/104) =======================q-point: ( 0.38 0.43 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.995 ( 3.176 9.913 1.085) 10.466 1.071 ( 0.996 5.928 0.965) 6.089 1.239 ( 1.947 -3.549 -3.008) 5.043 1.382 ( -5.008 -12.260 -1.635) 13.344 1.512 ( -0.853 3.748 -0.219) 3.850 1.557 ( -0.100 -0.605 -0.177) 0.638 1.810 ( 1.730 4.020 -0.156) 4.380 1.833 ( 2.917 2.169 1.152) 3.814 1.994 ( -1.444 2.036 1.160) 2.752 2.045 ( 0.759 -1.902 0.971) 2.267 2.128 ( -2.563 1.305 -0.225) 2.885 2.163 ( -1.438 -0.572 -1.126) 1.914 2.244 ( -0.700 3.648 0.110) 3.717 2.342 ( 4.909 -2.066 2.409) 5.846 2.375 ( 5.537 -4.020 0.613) 6.870 2.405 ( 9.296 -3.047 3.209) 10.295 2.716 ( -1.210 7.106 -1.531) 7.369 2.776 ( 0.200 0.992 -1.022) 1.438 2.903 ( -0.139 1.048 -0.601) 1.216 2.953 ( 0.750 -4.625 -1.800) 5.019 3.066 ( -3.170 0.216 0.394) 3.201 3.092 ( -4.382 -2.480 1.113) 5.156 3.192 ( -3.978 8.935 -1.274) 9.863 3.347 ( -2.477 -5.924 -0.886) 6.482 3.621 ( 0.087 4.392 -0.350) 4.406 3.665 ( -1.954 -0.442 -0.305) 2.027 3.857 ( 0.549 7.338 -0.892) 7.412 3.996 ( -0.106 -6.695 -0.694) 6.731 4.799 ( 2.114 -1.064 0.189) 2.374 4.821 ( 0.974 -3.153 0.051) 3.301 5.154 ( -0.738 1.597 -0.436) 1.813 5.230 ( -0.685 -5.672 -0.496) 5.735 5.626 ( 0.053 1.860 0.488) 1.923 5.652 ( 0.195 -1.101 0.380) 1.181 6.259 ( 2.463 4.064 -0.310) 4.762 6.322 ( 1.117 -2.015 -0.171) 2.310 6.465 ( -0.957 4.865 -0.077) 4.959 6.545 ( -2.971 -1.941 -0.030) 3.549 6.617 ( 0.069 1.479 -0.145) 1.487 6.635 ( 0.037 1.153 -0.152) 1.164 6.698 ( -0.754 1.726 0.136) 1.888 6.724 ( 0.176 -1.175 0.096) 1.192 6.815 ( 0.096 -2.133 -0.036) 2.135 6.836 ( 0.368 -3.823 -0.331) 3.855 6.960 ( -0.106 2.059 0.570) 2.139 7.023 ( 0.058 -4.231 0.562) 4.268 8.137 ( -0.228 1.240 0.371) 1.314 8.174 ( -0.447 -2.472 0.435) 2.550======================= Grid point 147 (81/104) =======================q-point: (-0.50 0.43 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 170Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.032 ( 0.604 7.823 -0.084) 7.847 1.126 ( 3.841 4.372 -2.448) 6.313 1.249 ( -1.829 -8.054 -2.275) 8.567 1.283 ( 1.299 -6.206 -3.165) 7.087 1.508 ( -0.492 4.512 -1.119) 4.675 1.572 ( 1.185 -1.182 -0.784) 1.848 1.808 ( 0.050 1.332 1.361) 1.905 1.846 ( -2.133 -1.799 -0.162) 2.795 1.977 ( -2.464 4.141 1.877) 5.172 2.030 ( -2.853 -1.823 1.780) 3.825 2.092 ( 0.688 3.559 -0.346) 3.642 2.159 ( 1.673 -1.672 -1.735) 2.933 2.244 ( -0.045 4.113 0.935) 4.218 2.369 ( -0.155 -7.338 0.730) 7.376 2.511 ( 2.730 3.646 4.625) 6.492 2.581 ( 1.493 -3.470 3.730) 5.309 2.696 ( 0.327 7.054 -0.062) 7.062 2.758 ( -3.103 2.802 0.380) 4.199 2.856 ( -3.200 1.416 -0.977) 3.633 2.922 ( -0.830 -4.767 -0.593) 4.875 3.034 ( 1.211 0.416 -0.593) 1.411 3.044 ( 1.598 -2.258 -1.610) 3.201 3.164 ( 0.088 7.033 -0.458) 7.048 3.309 ( -0.602 -6.211 -1.366) 6.388 3.629 ( 0.458 1.597 -0.443) 1.719 3.636 ( -0.108 1.517 -0.429) 1.580 3.861 ( 0.423 7.426 -1.056) 7.512 3.994 ( 0.392 -6.278 -0.860) 6.348 4.824 ( 0.167 -2.046 -0.037) 2.053 4.831 ( 0.062 -2.281 0.006) 2.281 5.146 ( -0.046 1.439 -0.301) 1.471 5.219 ( -0.145 -5.540 -0.395) 5.556 5.629 ( 0.024 1.891 0.472) 1.949 5.657 ( 0.034 -1.194 0.340) 1.242 6.297 ( 0.019 3.587 -0.181) 3.591 6.319 ( 0.205 1.350 -0.056) 1.366 6.479 ( 0.706 -0.021 -0.011) 0.706 6.489 ( -0.607 -0.693 -0.357) 0.988 6.618 ( -0.031 1.989 -0.129) 1.993 6.635 ( -0.090 1.448 -0.101) 1.454 6.691 ( -0.055 2.013 0.119) 2.017 6.726 ( -0.021 -1.537 0.119) 1.542 6.817 ( 0.114 -2.030 -0.109) 2.036 6.841 ( 0.273 -3.906 -0.420) 3.938 6.960 ( -0.190 2.206 0.611) 2.297 7.025 ( -0.155 -4.288 0.612) 4.335 8.137 ( 0.115 0.873 0.264) 0.920 8.170 ( -0.131 -2.373 0.390) 2.408======================= Grid point 148 (82/104) =======================q-point: (-0.38 0.43 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.019 ( -0.990 10.649 -0.103) 10.696 1.174 ( 2.066 3.560 -2.816) 4.987 1.252 ( 1.481 -6.617 -1.078) 6.866 1.331 ( 3.995 -8.352 -1.156) 9.331 1.496 ( -0.092 4.833 -0.567) 4.867 1.579 ( 0.621 -2.227 -2.402) 3.334 1.781 ( -3.989 3.134 1.956) 5.437 1.817 ( -1.544 -0.885 2.635) 3.180 1.949 ( -0.030 1.237 2.653) 2.927 1.990 ( -1.221 -2.662 2.725) 4.000 2.109 ( -0.311 3.229 -0.106) 3.246 2.173 ( -0.834 -2.656 -1.673) 3.248 2.236 ( -1.038 4.626 0.706) 4.793 2.354 ( -1.643 -6.741 0.518) 6.957 2.485 ( -5.944 2.321 0.130) 6.382 2.525 ( -4.515 -0.797 -0.108) 4.586 2.633 ( -4.816 7.615 0.395) 9.019 2.695 ( -2.138 2.467 1.534) 3.607 2.844 ( 1.409 0.371 0.661) 1.600 2.914 ( -1.209 -7.010 -1.628) 7.297 3.118 ( 3.640 2.966 -0.470) 4.719 3.136 ( 8.058 3.519 0.475) 8.806 3.166 ( 0.709 2.442 -1.414) 2.910 3.322 ( 2.697 -6.479 0.131) 7.019 3.624 ( 0.140 3.750 -0.628) 3.805 3.668 ( 2.480 -0.954 -0.529) 2.709 3.864 ( 0.290 7.516 -1.058) 7.595 4.004 ( 0.850 -6.559 -0.887) 6.673 4.805 ( -1.989 -1.173 0.008) 2.309 4.823 ( -0.922 -2.866 -0.002) 3.010 5.150 ( 0.661 1.397 -0.279) 1.571 5.223 ( 0.711 -5.678 -0.267) 5.729 5.630 ( -0.100 1.836 0.350) 1.872 5.656 ( -0.197 -1.088 0.257) 1.135 6.260 ( -2.207 4.265 -0.373) 4.817 6.326 ( -0.928 -2.030 -0.317) 2.255 6.467 ( 1.029 4.623 -0.149) 4.738 6.545 ( 3.275 -2.159 -0.033) 3.923 6.614 ( -0.210 1.619 -0.051) 1.634 6.631 ( -0.220 1.255 -0.005) 1.274 6.697 ( 0.650 1.891 0.167) 2.007 6.724 ( -0.217 -1.121 0.089) 1.145 6.818 ( 0.004 -1.891 -0.145) 1.897 6.843 ( 0.143 -4.053 -0.543) 4.092 6.958 ( -0.232 2.125 0.633) 2.229 7.023 ( -0.349 -4.287 0.587) 4.341 8.143 ( 0.364 0.754 0.133) 0.848 8.173 ( 0.212 -2.220 0.511) 2.288======================= Grid point 149 (83/104) =======================q-point: (-0.25 0.43 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 170Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.023 ( 0.864 16.955 0.826) 16.997 1.162 ( -2.896 6.775 0.200) 7.370 1.237 ( -2.734 -5.819 0.176) 6.432 1.402 ( 0.810 -14.108 0.547) 14.142 1.509 ( 2.052 4.205 2.399) 5.258 1.587 ( 0.198 -1.390 -0.866) 1.649 1.731 ( -0.558 4.011 0.539) 4.085 1.788 ( -1.162 -0.634 1.288) 1.847 1.978 ( -2.400 2.533 0.689) 3.556 1.990 ( 1.231 0.574 3.080) 3.366 2.058 ( -5.193 -2.375 0.247) 5.716 2.087 ( -4.353 -4.158 0.713) 6.062 2.225 ( -0.164 3.773 -0.263) 3.786 2.313 ( -1.176 -1.992 -1.730) 2.888 2.390 ( -1.616 0.902 -2.611) 3.200 2.447 ( -1.410 -2.463 -3.200) 4.277 2.597 ( -0.909 5.879 4.131) 7.243 2.673 ( -0.754 0.167 1.990) 2.135 2.872 ( 0.312 -1.353 -0.135) 1.395 2.878 ( -1.153 -3.521 -1.287) 3.923 3.142 ( -0.125 6.710 0.279) 6.717 3.189 ( 2.330 -0.562 -1.999) 3.121 3.290 ( 6.226 3.566 0.645) 7.204 3.410 ( 4.738 -4.415 0.451) 6.492 3.625 ( 0.098 5.494 -0.746) 5.545 3.717 ( 2.441 -3.391 -0.765) 4.248 3.859 ( -0.410 7.532 -0.910) 7.598 4.012 ( 0.121 -7.257 -0.777) 7.299 4.755 ( -2.699 -0.031 0.122) 2.702 4.794 ( -1.888 -3.508 0.119) 3.986 5.174 ( 1.866 1.084 -0.257) 2.173 5.243 ( 1.225 -5.456 -0.252) 5.598 5.630 ( 0.016 1.710 0.223) 1.725 5.652 ( -0.263 -0.757 0.174) 0.820 6.215 ( -1.942 3.980 -0.670) 4.479 6.284 ( -2.557 -2.761 -0.614) 3.812 6.507 ( 2.293 6.478 -0.055) 6.872 6.586 ( 0.249 1.583 -0.026) 1.603 6.622 ( 0.432 -0.004 0.075) 0.439 6.637 ( 1.981 -2.267 0.055) 3.011 6.718 ( 0.739 0.780 0.274) 1.109 6.719 ( 0.314 0.548 0.036) 0.633 6.813 ( -0.452 -1.531 -0.148) 1.603 6.843 ( 0.031 -4.158 -0.529) 4.192 6.956 ( -0.235 1.845 0.592) 1.952 7.017 ( -0.405 -4.240 0.478) 4.287 8.151 ( 0.395 0.900 0.071) 0.985 8.181 ( 0.268 -2.090 0.696) 2.219======================= Grid point 150 (84/104) =======================q-point: (-0.12 0.43 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.018 ( -3.217 12.981 2.503) 13.606 1.081 ( -4.765 9.770 3.096) 11.303 1.150 ( -6.224 -2.992 3.046) 7.548 1.384 ( -1.415 -11.009 -0.288) 11.103 1.542 ( -2.668 5.363 1.194) 6.108 1.576 ( 0.734 4.559 3.111) 5.568 1.760 ( 1.655 -4.671 -0.368) 4.970 1.783 ( 0.736 -1.630 -1.950) 2.646 1.916 ( -1.960 0.561 -2.141) 2.956 1.929 ( -2.060 -1.009 -1.808) 2.921 2.037 ( 1.272 0.201 2.472) 2.787 2.071 ( -0.612 -2.824 2.312) 3.701 2.225 ( 0.034 4.885 0.548) 4.916 2.309 ( 1.108 1.514 -1.557) 2.438 2.379 ( 1.048 -3.077 -0.231) 3.258 2.448 ( 1.999 -5.298 -1.530) 5.866 2.600 ( -0.719 4.518 3.123) 5.539 2.672 ( -0.631 -0.987 1.855) 2.194 2.852 ( -1.371 -2.066 -1.207) 2.757 2.856 ( -0.455 -0.558 -1.646) 1.797 3.144 ( 0.520 9.794 -0.503) 9.821 3.245 ( 3.487 -2.085 -0.224) 4.069 3.385 ( 3.098 3.809 0.334) 4.921 3.482 ( 2.223 -1.005 -0.679) 2.532 3.620 ( -0.213 4.680 -0.901) 4.770 3.752 ( 1.344 -5.959 -0.881) 6.171 3.840 ( -1.049 7.571 -0.586) 7.666 4.000 ( -0.804 -7.763 -0.465) 7.819 4.708 ( -1.892 0.711 0.275) 2.039 4.758 ( -1.393 -3.685 0.110) 3.941 5.214 ( 1.860 0.077 -0.184) 1.870 5.264 ( 0.867 -4.443 -0.269) 4.535 5.634 ( 0.236 1.502 0.178) 1.531 5.648 ( -0.215 -0.163 0.110) 0.292 6.179 ( -1.185 3.199 -0.924) 3.534 6.233 ( -1.904 -2.006 -0.753) 2.867 6.542 ( 1.061 5.818 -0.113) 5.915 6.582 ( -0.315 2.770 0.021) 2.788 6.627 ( 0.288 0.821 0.100) 0.876 6.679 ( 1.099 -4.467 -0.108) 4.601 6.724 ( 1.070 1.912 0.229) 2.203 6.751 ( 1.668 -0.071 0.266) 1.690 6.799 ( -0.772 -1.372 -0.092) 1.577 6.834 ( -0.767 -3.861 -0.332) 3.950 6.955 ( -0.136 1.527 0.474) 1.604 7.012 ( -0.243 -4.202 0.311) 4.220 8.158 ( 0.150 1.097 0.158) 1.119 8.188 ( 0.014 -1.907 0.821) 2.076======================= Grid point 175 (85/104) =======================q-point: ( 0.00 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 52Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.381 ( -0.000 0.000 0.000) 0.000 0.813 ( 0.000 0.000 0.000) 0.000 0.934 ( -0.000 0.000 0.000) 0.000 1.145 ( 0.000 0.000 0.000) 0.000 1.383 ( 0.000 0.000 -0.000) 0.000 1.497 ( -0.000 0.000 0.000) 0.000 1.756 ( 0.000 0.000 0.000) 0.000 1.828 ( -0.000 0.000 0.000) 0.000 1.895 ( -0.000 0.000 -0.000) 0.000 1.952 ( -0.000 0.000 0.000) 0.000 1.962 ( -0.000 0.000 0.000) 0.000 2.161 ( 0.000 0.000 0.000) 0.000 2.249 ( -0.000 0.000 -0.000) 0.000 2.262 ( -0.000 0.000 0.000) 0.000 2.268 ( -0.000 0.000 0.000) 0.000 2.547 ( 0.000 0.000 0.000) 0.000 2.624 ( -0.000 0.000 0.000) 0.000 2.645 ( -0.000 0.000 0.000) 0.000 2.828 ( -0.000 0.000 0.000) 0.000 2.926 ( 0.000 0.000 0.000) 0.000 3.031 ( 0.000 0.000 0.000) 0.000 3.080 ( -0.000 0.000 0.000) 0.000 3.170 ( 0.000 0.000 0.000) 0.000 3.446 ( -0.000 0.000 0.000) 0.000 3.534 ( -0.000 0.000 0.000) 0.000 3.643 ( -0.000 0.000 0.000) 0.000 3.981 ( -0.000 0.000 0.000) 0.000 4.428 ( -0.000 0.000 0.000) 0.000 4.744 ( -0.000 0.000 0.000) 0.000 4.781 ( -0.000 0.000 0.000) 0.000 5.399 ( -0.000 0.000 0.000) 0.000 5.433 ( -0.000 0.000 0.000) 0.000 5.579 ( 0.000 0.000 0.000) 0.000 5.731 ( -0.000 0.000 0.000) 0.000 6.013 ( -0.000 0.000 0.000) 0.000 6.146 ( -0.000 0.000 0.000) 0.000 6.279 ( -0.000 0.000 0.000) 0.000 6.348 ( 0.000 0.000 0.000) 0.000 6.560 ( 0.000 0.000 0.000) 0.000 6.688 ( -0.000 0.000 0.000) 0.000 6.743 ( -0.000 0.000 0.000) 0.000 6.838 ( 0.000 0.000 0.000) 0.000 6.939 ( 0.000 0.000 0.000) 0.000 6.946 ( -0.000 0.000 0.000) 0.000 7.031 ( -0.000 0.000 0.000) 0.000 7.239 ( 0.000 0.000 0.000) 0.000 8.158 ( -0.000 0.000 0.000) 0.000 8.301 ( 0.000 0.000 0.000) 0.000======================= Grid point 177 (86/104) =======================q-point: ( 0.12 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 96Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.461 ( 7.886 0.000 -1.052) 7.956 0.679 ( -5.885 0.000 -13.081) 14.344 0.902 ( -1.620 0.000 6.283) 6.488 1.188 ( 2.928 0.000 4.126) 5.059 1.458 ( -2.903 0.000 -3.458) 4.514 1.503 ( 5.015 0.000 5.166) 7.200 1.753 ( -0.089 0.000 -0.351) 0.363 1.824 ( 0.247 0.000 -3.419) 3.428 1.945 ( -0.970 0.000 0.729) 1.214 1.965 ( 6.278 0.000 3.797) 7.337 2.024 ( 6.418 0.000 -2.430) 6.863 2.156 ( -0.676 0.000 1.512) 1.657 2.205 ( -3.407 0.000 -2.279) 4.099 2.217 ( -3.608 0.000 -2.516) 4.399 2.274 ( 0.060 0.000 2.671) 2.671 2.510 ( -2.707 0.000 1.120) 2.930 2.639 ( 1.845 0.000 1.395) 2.313 2.664 ( 1.167 0.000 -0.570) 1.299 2.838 ( -1.102 0.000 1.095) 1.554 2.972 ( 4.382 0.000 -0.664) 4.432 3.053 ( 2.141 0.000 0.347) 2.169 3.096 ( 1.993 0.000 -1.302) 2.381 3.206 ( 3.864 0.000 -0.979) 3.986 3.393 ( -4.635 0.000 -2.066) 5.075 3.513 ( -1.975 0.000 -0.456) 2.027 3.620 ( -2.109 0.000 0.286) 2.128 3.940 ( -4.027 0.000 0.562) 4.066 4.419 ( -0.771 0.000 0.340) 0.843 4.746 ( 0.136 0.000 -0.135) 0.191 4.814 ( 2.951 0.000 -0.038) 2.952 5.410 ( 0.980 0.000 0.009) 0.980 5.433 ( 0.034 0.000 0.125) 0.130 5.506 ( -4.828 0.000 -0.125) 4.829 5.813 ( 5.547 0.000 0.334) 5.557 6.020 ( 0.694 0.000 -0.008) 0.694 6.145 ( -0.056 0.000 0.056) 0.079 6.278 ( 0.002 0.000 -0.021) 0.021 6.354 ( 0.522 0.000 -0.053) 0.525 6.544 ( -1.425 0.000 -0.037) 1.425 6.677 ( -1.152 0.000 0.213) 1.172 6.746 ( 0.306 0.000 -0.005) 0.306 6.825 ( -1.249 0.000 -0.131) 1.256 6.943 ( -0.319 0.000 -0.033) 0.321 6.947 ( 0.896 0.000 -0.256) 0.932 7.038 ( 0.533 0.000 0.137) 0.550 7.244 ( 0.396 0.000 -0.107) 0.410 8.141 ( -1.107 0.000 0.791) 1.360 8.316 ( 0.397 0.000 1.698) 1.744======================= Grid point 178 (87/104) =======================q-point: ( 0.25 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 96Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.665 ( 11.883 0.000 0.645) 11.900 0.677 ( 9.505 0.000 0.316) 9.511 0.925 ( 1.345 0.000 5.331) 5.498 1.274 ( 2.680 0.000 4.510) 5.246 1.363 ( -3.952 0.000 -4.970) 6.350 1.566 ( 0.674 0.000 2.519) 2.608 1.755 ( 0.662 0.000 -0.929) 1.141 1.807 ( -0.930 0.000 -2.005) 2.210 1.917 ( -2.343 0.000 1.489) 2.776 2.078 ( -3.018 0.000 0.059) 3.019 2.098 ( -6.053 0.000 -0.829) 6.110 2.128 ( 5.853 0.000 0.201) 5.856 2.160 ( 2.900 0.000 -0.043) 2.900 2.247 ( 9.933 0.000 -3.145) 10.419 2.288 ( 0.366 0.000 1.638) 1.679 2.470 ( -1.647 0.000 0.563) 1.741 2.678 ( 0.462 0.000 -0.217) 0.511 2.688 ( 0.972 0.000 -0.516) 1.101 2.791 ( -2.131 0.000 -1.254) 2.473 3.035 ( -2.463 0.000 -0.200) 2.471 3.071 ( 5.156 0.000 -0.910) 5.236 3.185 ( 1.945 0.000 -1.469) 2.438 3.280 ( -1.883 0.000 0.535) 1.958 3.289 ( 3.697 0.000 -1.906) 4.159 3.455 ( -3.626 0.000 1.973) 4.129 3.572 ( -2.549 0.000 0.451) 2.589 3.841 ( -5.560 0.000 0.588) 5.591 4.404 ( -0.905 0.000 0.373) 0.979 4.745 ( -0.159 0.000 -0.198) 0.254 4.880 ( 3.084 0.000 0.029) 3.084 5.411 ( -1.974 0.000 -0.007) 1.974 5.435 ( 0.093 0.000 0.168) 0.192 5.448 ( 0.371 0.000 0.091) 0.382 5.910 ( 3.508 0.000 0.355) 3.526 6.036 ( 0.695 0.000 0.021) 0.695 6.143 ( -0.144 0.000 0.056) 0.155 6.280 ( 0.216 0.000 -0.025) 0.218 6.368 ( 0.880 0.000 -0.077) 0.883 6.516 ( -0.839 0.000 -0.085) 0.843 6.649 ( -1.630 0.000 0.151) 1.637 6.754 ( 0.418 0.000 -0.008) 0.418 6.786 ( -2.452 0.000 -0.338) 2.475 6.934 ( -0.467 0.000 -0.045) 0.469 6.972 ( 1.549 0.000 -0.405) 1.601 7.047 ( 0.110 0.000 0.241) 0.265 7.250 ( 0.168 0.000 0.081) 0.186 8.137 ( 0.235 0.000 1.137) 1.161 8.320 ( -0.583 0.000 1.035) 1.188======================= Grid point 179 (88/104) =======================q-point: ( 0.38 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 96Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.872 ( 3.082 0.000 6.582) 7.268 0.916 ( 11.598 0.000 2.367) 11.837 1.071 ( 12.125 0.000 3.654) 12.663 1.242 ( -3.631 0.000 -6.323) 7.291 1.338 ( -0.304 0.000 4.067) 4.078 1.598 ( 2.474 0.000 0.086) 2.476 1.765 ( -2.743 0.000 0.278) 2.757 1.773 ( 1.714 0.000 -1.692) 2.409 1.866 ( -3.408 0.000 2.073) 3.989 1.980 ( -4.712 0.000 -0.101) 4.713 2.013 ( -2.941 0.000 0.403) 2.969 2.151 ( 0.646 0.000 -0.159) 0.665 2.302 ( 0.354 0.000 0.797) 0.872 2.303 ( 5.055 0.000 0.653) 5.097 2.422 ( 7.774 0.000 -1.906) 8.004 2.447 ( -0.814 0.000 0.114) 0.822 2.620 ( -2.654 0.000 -9.361) 9.730 2.685 ( 0.303 0.000 -0.036) 0.305 2.769 ( -1.878 0.000 -1.311) 2.291 2.996 ( -0.797 0.000 1.677) 1.857 3.110 ( -3.779 0.000 0.085) 3.780 3.151 ( 2.912 0.000 -0.692) 2.993 3.289 ( -3.002 0.000 0.707) 3.084 3.356 ( 3.606 0.000 0.614) 3.658 3.442 ( 1.664 0.000 1.950) 2.564 3.533 ( -1.329 0.000 0.386) 1.384 3.742 ( -4.061 0.000 0.190) 4.065 4.388 ( -0.742 0.000 0.186) 0.764 4.739 ( -0.337 0.000 -0.148) 0.368 4.922 ( 1.012 0.000 0.105) 1.018 5.396 ( 0.904 0.000 -0.089) 0.908 5.438 ( 0.098 0.000 0.113) 0.150 5.459 ( 0.014 0.000 0.211) 0.211 5.949 ( 0.444 0.000 0.196) 0.485 6.045 ( 0.232 0.000 0.040) 0.236 6.141 ( -0.073 0.000 0.017) 0.075 6.286 ( 0.247 0.000 -0.010) 0.247 6.385 ( 0.768 0.000 -0.059) 0.770 6.523 ( 1.592 0.000 0.088) 1.595 6.615 ( -1.813 0.000 0.039) 1.814 6.731 ( -2.482 0.000 -0.461) 2.525 6.761 ( 0.265 0.000 -0.006) 0.265 6.925 ( -0.333 0.000 -0.031) 0.335 6.999 ( 1.263 0.000 -0.431) 1.334 7.045 ( -0.371 0.000 0.314) 0.486 7.252 ( 0.021 0.000 0.126) 0.128 8.154 ( 0.681 0.000 0.825) 1.069 8.310 ( -0.526 0.000 0.241) 0.579======================= Grid point 180 (89/104) =======================q-point: ( 0.50 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 52Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.906 ( 0.000 0.000 0.000) 0.000 1.115 ( 0.000 0.000 0.000) 0.000 1.129 ( -0.000 0.000 -0.000) 0.000 1.244 ( -0.000 0.000 0.000) 0.000 1.334 ( -0.000 0.000 0.000) 0.000 1.651 ( -0.000 0.000 0.000) 0.000 1.714 ( 0.000 0.000 -0.000) 0.000 1.804 ( -0.000 0.000 0.000) 0.000 1.816 ( 0.000 0.000 -0.000) 0.000 1.930 ( -0.000 0.000 0.000) 0.000 1.979 ( -0.000 0.000 0.000) 0.000 2.163 ( -0.000 0.000 0.000) 0.000 2.307 ( -0.000 0.000 0.000) 0.000 2.316 ( -0.000 0.000 -0.000) 0.000 2.439 ( -0.000 0.000 0.000) 0.000 2.531 ( -0.000 0.000 0.000) 0.000 2.583 ( 0.000 0.000 0.000) 0.000 2.688 ( -0.000 0.000 0.000) 0.000 2.707 ( 0.000 0.000 0.000) 0.000 3.007 ( 0.000 0.000 0.000) 0.000 3.072 ( -0.000 0.000 0.000) 0.000 3.178 ( -0.000 0.000 0.000) 0.000 3.245 ( -0.000 0.000 0.000) 0.000 3.395 ( 0.000 0.000 0.000) 0.000 3.473 ( -0.000 0.000 0.000) 0.000 3.522 ( -0.000 0.000 0.000) 0.000 3.698 ( -0.000 0.000 0.000) 0.000 4.380 ( -0.000 0.000 0.000) 0.000 4.734 ( -0.000 0.000 0.000) 0.000 4.930 ( -0.000 0.000 0.000) 0.000 5.420 ( -0.000 0.000 0.000) 0.000 5.439 ( -0.000 0.000 0.000) 0.000 5.450 ( 0.000 0.000 0.000) 0.000 5.949 ( -0.000 0.000 0.000) 0.000 6.047 ( -0.000 0.000 0.000) 0.000 6.141 ( -0.000 0.000 0.000) 0.000 6.288 ( -0.000 0.000 0.000) 0.000 6.394 ( -0.000 0.000 0.000) 0.000 6.565 ( -0.000 0.000 0.000) 0.000 6.576 ( -0.000 0.000 0.000) 0.000 6.701 ( -0.000 0.000 0.000) 0.000 6.763 ( -0.000 0.000 0.000) 0.000 6.922 ( -0.000 0.000 0.000) 0.000 7.013 ( -0.000 0.000 0.000) 0.000 7.040 ( 0.000 0.000 0.000) 0.000 7.252 ( -0.000 0.000 0.000) 0.000 8.164 ( -0.000 0.000 0.000) 0.000 8.305 ( -0.000 0.000 0.000) 0.000======================= Grid point 185 (90/104) =======================q-point: ( 0.00 0.14 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 91Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.677 ( 0.000 -6.360 0.000) 6.360 0.696 ( -0.000 22.017 -0.000) 22.017 0.928 ( 0.000 1.258 0.000) 1.258 1.353 ( -0.000 -2.112 -0.000) 2.112 1.359 ( 0.000 13.745 0.000) 13.745 1.522 ( 0.000 1.691 0.000) 1.691 1.782 ( 0.000 2.362 0.000) 2.362 1.812 ( -0.000 -1.418 0.000) 1.418 1.913 ( 0.000 -2.975 0.000) 2.975 1.932 ( -0.000 3.715 0.000) 3.715 2.089 ( -0.000 7.638 0.000) 7.638 2.134 ( 0.000 1.355 0.000) 1.355 2.177 ( 0.000 -7.120 0.000) 7.120 2.218 ( -0.000 -3.567 0.000) 3.567 2.366 ( -0.000 8.795 0.000) 8.795 2.609 ( 0.000 5.114 0.000) 5.114 2.623 ( -0.000 0.471 -0.000) 0.471 2.638 ( -0.000 -3.087 0.000) 3.087 2.731 ( -0.000 -6.161 0.000) 6.161 2.859 ( -0.000 -3.920 0.000) 3.920 3.034 ( 0.000 -4.466 0.000) 4.466 3.092 ( -0.000 6.291 0.000) 6.291 3.314 ( 0.000 10.862 0.000) 10.862 3.432 ( -0.000 -1.233 0.000) 1.233 3.499 ( -0.000 -3.022 0.000) 3.022 3.677 ( 0.000 2.451 0.000) 2.451 3.960 ( -0.000 -2.127 0.000) 2.127 4.328 ( -0.000 -8.596 0.000) 8.596 4.757 ( -0.000 -2.194 0.000) 2.194 4.773 ( 0.000 1.983 0.000) 1.983 5.391 ( -0.000 -1.007 0.000) 1.007 5.441 ( -0.000 -2.790 0.000) 2.790 5.534 ( 0.000 -0.541 0.000) 0.541 5.690 ( -0.000 -3.194 0.000) 3.194 6.044 ( -0.000 2.625 0.000) 2.625 6.178 ( 0.000 2.527 0.000) 2.527 6.343 ( -0.000 5.787 0.000) 5.787 6.378 ( 0.000 2.842 0.000) 2.842 6.573 ( 0.000 1.248 0.000) 1.248 6.692 ( -0.000 0.501 0.000) 0.501 6.740 ( -0.000 -0.328 0.000) 0.328 6.826 ( 0.000 -1.098 0.000) 1.098 6.921 ( 0.000 -1.816 0.000) 1.816 6.932 ( -0.000 -1.530 0.000) 1.530 7.004 ( -0.000 -2.444 0.000) 2.444 7.201 ( -0.000 -3.666 0.000) 3.666 8.147 ( -0.000 -0.782 0.000) 0.782 8.281 ( 0.000 -1.813 0.000) 1.813======================= Grid point 187 (91/104) =======================q-point: ( 0.12 0.14 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.620 ( -1.304 -1.422 -7.790) 8.025 0.764 ( 4.573 21.249 1.313) 21.775 0.929 ( -0.395 3.631 5.862) 6.907 1.267 ( 0.413 4.200 -0.733) 4.283 1.480 ( 1.833 1.777 2.374) 3.486 1.488 ( -1.878 0.317 -0.958) 2.132 1.777 ( -0.429 0.090 -0.426) 0.612 1.861 ( 2.574 5.003 -1.799) 5.907 1.950 ( 4.925 -1.126 0.526) 5.080 2.001 ( 5.942 0.822 1.807) 6.265 2.070 ( -1.633 5.671 0.430) 5.917 2.122 ( -2.690 -2.304 -2.863) 4.554 2.141 ( -0.805 -2.315 0.325) 2.473 2.216 ( -0.538 -1.475 0.340) 1.607 2.355 ( -0.993 6.914 0.290) 6.991 2.535 ( -4.091 1.058 0.201) 4.231 2.629 ( 1.248 -0.952 0.851) 1.785 2.667 ( 0.646 -1.856 0.093) 1.968 2.756 ( 1.575 -3.851 -0.773) 4.232 2.896 ( 1.924 -2.245 0.881) 3.085 3.037 ( 2.101 -2.899 0.344) 3.597 3.162 ( 5.549 3.767 -1.128) 6.801 3.311 ( -0.441 8.176 -1.387) 8.305 3.385 ( -3.688 0.477 -1.181) 3.901 3.474 ( -2.323 -2.973 -0.412) 3.796 3.662 ( -1.592 2.920 0.498) 3.362 3.922 ( -3.775 -1.829 0.572) 4.233 4.323 ( -0.531 -8.280 0.289) 8.302 4.760 ( 0.489 -0.109 0.035) 0.502 4.807 ( 2.965 0.099 -0.187) 2.973 5.372 ( -1.971 -3.575 -0.060) 4.083 5.437 ( -0.436 -2.791 -0.074) 2.826 5.511 ( -1.011 3.140 0.122) 3.301 5.737 ( 3.356 -5.617 0.304) 6.551 6.049 ( 0.570 2.557 -0.021) 2.620 6.197 ( 1.780 3.564 0.056) 3.984 6.327 ( -1.242 4.447 -0.028) 4.617 6.390 ( 0.908 3.638 0.012) 3.750 6.558 ( -1.294 1.496 -0.044) 1.978 6.679 ( -1.282 0.293 0.157) 1.324 6.743 ( 0.227 -0.382 -0.004) 0.445 6.815 ( -1.189 -1.024 -0.124) 1.574 6.919 ( 0.124 -2.321 -0.238) 2.336 6.938 ( 0.446 -0.992 -0.007) 1.088 7.010 ( 0.434 -2.609 0.161) 2.649 7.205 ( 0.315 -3.753 -0.056) 3.766 8.136 ( -0.769 -0.330 0.742) 1.118 8.292 ( 0.379 -2.210 0.947) 2.434======================= Grid point 188 (92/104) =======================q-point: ( 0.25 0.14 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.636 ( 7.083 0.508 -2.370) 7.487 0.863 ( 2.176 8.667 5.258) 10.368 1.019 ( 7.875 13.753 4.375) 16.440 1.330 ( 3.234 3.887 2.126) 5.485 1.412 ( -2.129 2.784 -4.017) 5.331 1.511 ( -0.321 -2.205 2.578) 3.408 1.770 ( -0.095 -0.092 -1.165) 1.172 1.866 ( -0.801 4.932 -1.006) 5.097 1.969 ( -5.839 1.817 1.920) 6.410 2.034 ( -1.973 0.278 -0.918) 2.194 2.112 ( 6.333 -0.663 -3.559) 7.295 2.127 ( -0.163 0.362 1.096) 1.166 2.152 ( 1.017 -0.052 1.651) 1.940 2.234 ( 6.317 -0.374 -1.603) 6.528 2.347 ( 0.525 3.842 -0.537) 3.915 2.481 ( -1.246 0.483 0.996) 1.666 2.666 ( 0.575 -5.846 -0.914) 5.945 2.678 ( 1.650 -0.407 -0.877) 1.912 2.760 ( -0.809 2.135 -0.660) 2.376 2.917 ( 0.601 -2.727 -0.542) 2.845 3.120 ( 4.338 -3.373 0.411) 5.510 3.213 ( -3.696 0.768 -1.667) 4.127 3.297 ( 3.479 1.252 -1.375) 3.945 3.328 ( -1.826 5.619 -0.513) 5.931 3.418 ( -2.467 -1.457 2.024) 3.508 3.625 ( -2.076 3.866 0.541) 4.421 3.827 ( -5.503 -1.348 0.653) 5.703 4.310 ( -0.897 -7.944 0.313) 8.001 4.774 ( 0.748 1.575 -0.080) 1.746 4.872 ( 3.032 -0.629 -0.027) 3.097 5.323 ( -2.178 -5.851 -0.073) 6.244 5.430 ( -0.149 -1.781 0.057) 1.788 5.508 ( 0.302 4.166 0.180) 4.181 5.796 ( 2.057 -7.919 0.312) 8.187 6.066 ( 1.130 2.661 -0.054) 2.892 6.234 ( 0.839 6.354 0.157) 6.411 6.307 ( 0.051 2.099 -0.061) 2.100 6.409 ( 0.834 3.955 0.004) 4.042 6.531 ( -1.035 1.723 -0.082) 2.011 6.648 ( -1.702 0.021 0.119) 1.706 6.745 ( -0.258 -0.908 -0.054) 0.945 6.780 ( -1.777 -0.589 -0.287) 1.894 6.920 ( -0.025 -1.580 -0.086) 1.582 6.953 ( 1.141 -1.605 -0.304) 1.992 7.017 ( 0.001 -2.854 0.296) 2.869 7.210 ( 0.216 -3.767 0.069) 3.774 8.134 ( 0.128 -0.251 1.017) 1.056 8.295 ( -0.368 -2.295 0.608) 2.403======================= Grid point 189 (93/104) =======================q-point: ( 0.38 0.14 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.850 ( 11.100 -2.966 3.549) 12.025 0.909 ( 1.208 1.857 3.746) 4.352 1.219 ( 7.094 12.525 5.499) 15.409 1.308 ( -1.789 5.917 -5.876) 8.528 1.439 ( 2.195 6.320 2.144) 7.025 1.526 ( 2.155 -3.581 -0.308) 4.190 1.726 ( -4.925 -3.025 -0.324) 5.789 1.844 ( -0.235 0.112 0.249) 0.360 1.886 ( -2.114 5.399 1.895) 6.100 1.991 ( -1.468 2.648 -0.907) 3.160 2.070 ( -4.192 3.702 0.437) 5.610 2.137 ( 0.343 -1.211 -0.208) 1.276 2.260 ( 5.356 -2.315 -0.726) 5.880 2.338 ( 1.084 2.735 1.917) 3.512 2.377 ( 3.174 -2.430 -2.402) 4.664 2.515 ( 4.655 4.113 0.429) 6.227 2.634 ( -1.616 0.422 -7.423) 7.608 2.687 ( -0.684 -5.334 -1.278) 5.528 2.743 ( -0.325 5.390 -0.287) 5.407 2.930 ( 0.925 -4.402 0.268) 4.506 3.096 ( -4.101 -1.013 0.483) 4.252 3.202 ( 1.046 0.377 -0.283) 1.147 3.254 ( -3.988 -2.975 1.212) 5.121 3.348 ( 1.019 0.865 0.312) 1.373 3.448 ( 3.500 1.479 1.339) 4.029 3.596 ( -0.874 4.925 0.321) 5.012 3.724 ( -4.593 -1.554 0.274) 4.857 4.293 ( -0.848 -7.957 0.149) 8.003 4.786 ( 0.442 3.323 -0.082) 3.353 4.914 ( 0.995 -0.920 0.070) 1.357 5.304 ( 0.334 -6.444 -0.021) 6.452 5.429 ( -0.040 -2.116 0.065) 2.117 5.514 ( 0.092 3.850 0.148) 3.854 5.820 ( 0.419 -8.440 0.147) 8.452 6.093 ( 1.415 3.279 -0.039) 3.571 6.211 ( -2.184 5.104 0.035) 5.552 6.342 ( 2.312 4.161 0.108) 4.761 6.419 ( 0.163 3.545 -0.051) 3.549 6.529 ( 1.002 0.897 0.070) 1.347 6.613 ( -1.884 -0.147 0.014) 1.890 6.716 ( -1.977 -1.367 -0.386) 2.434 6.764 ( -0.032 0.108 -0.042) 0.120 6.918 ( -0.159 -0.856 -0.017) 0.871 6.976 ( 1.131 -2.263 -0.438) 2.567 7.013 ( -0.451 -3.000 0.394) 3.059 7.214 ( 0.092 -3.647 0.096) 3.649 8.146 ( 0.483 -0.665 0.733) 1.101 8.287 ( -0.427 -2.169 0.116) 2.214======================= Grid point 190 (94/104) =======================q-point: ( 0.50 0.14 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 91Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.919 ( 0.000 1.990 0.000) 1.990 1.020 ( 0.000 -6.218 0.000) 6.218 1.265 ( -0.000 11.533 -0.000) 11.533 1.295 ( -0.000 3.375 0.000) 3.375 1.466 ( 0.000 7.544 0.000) 7.544 1.600 ( -0.000 -1.746 0.000) 1.746 1.620 ( 0.000 -6.720 -0.000) 6.720 1.857 ( 0.000 2.963 0.000) 2.963 1.869 ( -0.000 3.673 -0.000) 3.673 1.986 ( -0.000 5.005 0.000) 5.005 2.004 ( -0.000 2.402 0.000) 2.402 2.142 ( -0.000 -1.851 0.000) 1.851 2.317 ( -0.000 -2.831 -0.000) 2.831 2.338 ( 0.000 3.492 0.000) 3.492 2.406 ( -0.000 2.022 -0.000) 2.022 2.585 ( 0.000 0.332 0.000) 0.332 2.610 ( 0.000 5.756 0.000) 5.756 2.648 ( -0.000 -5.068 0.000) 5.068 2.742 ( -0.000 4.888 0.000) 4.888 2.946 ( 0.000 -5.153 0.000) 5.153 3.046 ( -0.000 -1.884 0.000) 1.884 3.209 ( 0.000 -2.898 -0.000) 2.898 3.210 ( -0.000 0.616 0.000) 0.616 3.363 ( 0.000 -1.997 0.000) 1.997 3.497 ( -0.000 2.654 0.000) 2.654 3.590 ( 0.000 5.461 0.000) 5.461 3.670 ( -0.000 -2.625 0.000) 2.625 4.283 ( -0.000 -8.023 0.000) 8.023 4.790 ( -0.000 4.133 0.000) 4.133 4.921 ( -0.000 -1.025 0.000) 1.025 5.315 ( -0.000 -6.773 0.000) 6.773 5.428 ( -0.000 -2.568 0.000) 2.568 5.514 ( 0.000 3.925 0.000) 3.925 5.823 ( -0.000 -8.248 0.000) 8.248 6.112 ( 0.000 4.160 0.000) 4.160 6.182 ( -0.000 3.693 0.000) 3.693 6.370 ( -0.000 6.370 0.000) 6.370 6.419 ( -0.000 2.441 0.000) 2.441 6.561 ( 0.000 -0.205 0.000) 0.205 6.575 ( -0.000 -0.036 0.000) 0.036 6.691 ( -0.000 -0.886 0.000) 0.886 6.764 ( -0.000 0.011 0.000) 0.011 6.916 ( -0.000 -0.652 0.000) 0.652 6.988 ( -0.000 -2.429 0.000) 2.429 7.007 ( 0.000 -3.062 0.000) 3.062 7.215 ( -0.000 -3.584 0.000) 3.584 8.153 ( -0.000 -0.898 0.000) 0.898 8.283 ( -0.000 -2.125 0.000) 2.125======================= Grid point 195 (95/104) =======================q-point: ( 0.00 0.29 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 91Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.723 ( 0.000 11.128 0.000) 11.128 0.973 ( -0.000 3.120 0.000) 3.120 1.035 ( 0.000 9.813 -0.000) 9.813 1.347 ( -0.000 3.110 0.000) 3.110 1.530 ( 0.000 -1.825 0.000) 1.825 1.578 ( 0.000 7.510 0.000) 7.510 1.776 ( 0.000 -2.013 0.000) 2.013 1.834 ( -0.000 2.547 -0.000) 2.547 1.861 ( 0.000 -1.487 0.000) 1.487 1.990 ( -0.000 -3.674 0.000) 3.674 2.043 ( 0.000 -2.759 0.000) 2.759 2.095 ( -0.000 -0.396 0.000) 0.396 2.158 ( 0.000 0.624 0.000) 0.624 2.271 ( -0.000 4.576 0.000) 4.576 2.523 ( -0.000 1.470 0.000) 1.470 2.574 ( 0.000 -4.137 0.000) 4.137 2.592 ( 0.000 -4.666 0.000) 4.666 2.638 ( -0.000 3.646 0.000) 3.646 2.780 ( -0.000 11.258 0.000) 11.258 2.833 ( -0.000 -0.022 0.000) 0.022 2.936 ( 0.000 -2.633 0.000) 2.633 3.256 ( -0.000 8.834 0.000) 8.834 3.407 ( 0.000 -0.992 0.000) 0.992 3.435 ( -0.000 -1.997 0.000) 1.997 3.524 ( 0.000 8.796 0.000) 8.796 3.714 ( 0.000 1.626 -0.000) 1.626 3.893 ( -0.000 -5.048 0.000) 5.048 4.146 ( -0.000 -9.070 0.000) 9.070 4.709 ( -0.000 -2.191 0.000) 2.191 4.793 ( -0.000 -0.517 0.000) 0.517 5.312 ( 0.000 -6.923 0.000) 6.923 5.347 ( -0.000 -3.565 0.000) 3.565 5.591 ( 0.000 3.617 0.000) 3.617 5.645 ( -0.000 -0.926 0.000) 0.926 6.098 ( -0.000 2.793 0.000) 2.793 6.215 ( 0.000 0.715 0.000) 0.715 6.452 ( -0.000 4.535 0.000) 4.535 6.473 ( 0.000 6.730 0.000) 6.730 6.603 ( 0.000 1.636 0.000) 1.636 6.713 ( -0.000 1.656 0.000) 1.656 6.726 ( 0.000 -1.249 -0.000) 1.249 6.797 ( 0.000 -1.789 0.000) 1.789 6.871 ( 0.000 -3.168 0.000) 3.168 6.879 ( -0.000 -3.865 -0.000) 3.865 6.960 ( 0.000 -1.374 0.000) 1.374 7.109 ( -0.000 -5.279 0.000) 5.279 8.141 ( -0.000 0.396 0.000) 0.396 8.240 ( 0.000 -2.207 0.000) 2.207======================= Grid point 197 (96/104) =======================q-point: ( 0.12 0.29 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.727 ( 0.705 12.328 -1.820) 12.481 0.972 ( -0.436 5.003 4.929) 7.036 1.155 ( 8.421 8.140 4.587) 12.578 1.321 ( -1.222 6.756 -1.520) 7.032 1.485 ( -2.744 -1.065 -0.684) 3.022 1.559 ( -0.879 4.613 -1.322) 4.879 1.768 ( 0.381 -0.599 -0.092) 0.716 1.910 ( 4.785 -1.500 0.268) 5.022 1.943 ( 1.880 -2.481 -0.771) 3.207 1.973 ( 2.646 -4.533 -1.784) 5.544 2.043 ( 0.603 0.914 2.078) 2.349 2.090 ( 0.147 -1.194 0.116) 1.209 2.184 ( 1.745 0.683 0.422) 1.921 2.241 ( -2.452 4.118 -1.182) 4.936 2.481 ( -3.909 -0.454 -1.110) 4.089 2.504 ( -4.665 -0.720 -1.180) 4.865 2.576 ( 0.229 -2.377 0.755) 2.504 2.656 ( 0.710 2.472 -0.560) 2.632 2.808 ( 2.870 6.801 -1.053) 7.456 2.906 ( 4.877 2.204 1.855) 5.664 2.949 ( 0.906 -3.175 0.097) 3.303 3.271 ( 0.874 4.800 -1.663) 5.155 3.351 ( -3.636 1.280 -0.481) 3.885 3.407 ( -2.550 -1.407 -0.817) 3.025 3.532 ( -0.113 7.870 0.575) 7.892 3.710 ( -0.527 2.359 0.372) 2.446 3.864 ( -2.851 -4.285 0.521) 5.173 4.148 ( 0.077 -8.677 0.302) 8.683 4.730 ( 1.818 -2.032 0.106) 2.729 4.810 ( 1.761 -0.880 -0.108) 1.972 5.271 ( -3.027 -5.379 -0.180) 6.175 5.359 ( 0.447 -4.873 -0.045) 4.894 5.586 ( -0.311 3.525 0.103) 3.540 5.658 ( 1.039 -1.830 0.223) 2.116 6.106 ( 0.817 3.105 0.007) 3.211 6.242 ( 2.590 0.641 0.028) 2.668 6.426 ( -1.983 5.424 0.066) 5.776 6.488 ( 0.939 5.762 0.058) 5.838 6.597 ( -0.531 2.132 -0.044) 2.198 6.693 ( -1.749 1.242 0.044) 2.146 6.729 ( 0.190 -1.068 -0.013) 1.085 6.785 ( -1.394 -2.130 -0.145) 2.549 6.857 ( 0.060 -3.605 -0.240) 3.614 6.901 ( 0.908 -3.105 0.335) 3.252 6.960 ( -0.018 -1.582 0.009) 1.582 7.111 ( 0.242 -5.293 -0.014) 5.299 8.137 ( -0.435 0.515 0.510) 0.845 8.243 ( 0.097 -2.548 0.170) 2.556======================= Grid point 198 (97/104) =======================q-point: ( 0.25 0.29 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.746 ( 2.660 11.062 -1.045) 11.426 0.981 ( -1.269 6.059 5.501) 8.281 1.318 ( 3.301 -5.064 2.821) 6.670 1.354 ( 3.967 14.399 2.599) 15.160 1.463 ( 2.489 5.324 -1.804) 6.148 1.545 ( 0.253 2.498 0.490) 2.558 1.775 ( -0.525 0.697 -1.491) 1.728 1.822 ( -6.575 -7.520 0.253) 9.992 2.009 ( 0.092 1.392 -1.650) 2.161 2.054 ( 3.806 -1.000 -2.661) 4.751 2.106 ( 4.900 -2.030 1.390) 5.483 2.134 ( 0.956 2.606 1.614) 3.211 2.183 ( -1.252 2.103 -0.237) 2.459 2.224 ( 4.238 -0.410 -2.435) 4.905 2.404 ( -2.316 0.904 0.473) 2.531 2.453 ( 0.625 -3.661 0.566) 3.757 2.577 ( -0.231 0.817 -0.873) 1.218 2.681 ( 2.174 1.115 -1.342) 2.787 2.860 ( 2.130 5.190 -1.536) 5.816 2.938 ( -0.762 3.424 -0.923) 3.628 3.022 ( 4.467 -4.114 1.399) 6.232 3.199 ( -5.330 -1.128 -1.766) 5.728 3.300 ( -4.649 -2.027 -0.098) 5.073 3.383 ( 1.860 3.556 0.627) 4.062 3.510 ( -1.921 6.766 0.195) 7.036 3.697 ( -0.824 3.569 0.334) 3.678 3.793 ( -4.130 -1.775 0.635) 4.540 4.146 ( -0.581 -8.076 0.331) 8.103 4.776 ( 2.546 -1.221 0.148) 2.827 4.854 ( 2.196 -1.717 -0.069) 2.788 5.210 ( -2.485 -4.679 -0.180) 5.301 5.359 ( -0.378 -5.540 -0.085) 5.553 5.583 ( -0.048 3.230 0.175) 3.236 5.680 ( 0.956 -3.138 0.245) 3.289 6.131 ( 1.605 3.748 -0.021) 4.077 6.309 ( 3.697 -0.042 0.063) 3.697 6.378 ( -2.735 6.083 0.122) 6.670 6.505 ( 0.614 5.261 0.098) 5.297 6.584 ( -0.658 3.166 -0.111) 3.236 6.652 ( -2.172 0.423 0.020) 2.213 6.722 ( -1.329 -1.153 -0.115) 1.763 6.757 ( -0.567 -2.110 -0.195) 2.193 6.868 ( 0.777 -3.380 -0.138) 3.471 6.914 ( 0.304 -3.129 0.277) 3.156 6.958 ( -0.190 -1.771 0.038) 1.781 7.117 ( 0.329 -5.236 0.023) 5.247 8.133 ( -0.185 0.310 0.683) 0.773 8.241 ( -0.298 -2.908 0.078) 2.925======================= Grid point 199 (98/104) =======================q-point: ( 0.38 0.29 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.848 ( 7.010 4.308 1.271) 8.325 0.984 ( -0.661 5.320 4.329) 6.891 1.348 ( -0.490 -3.461 1.631) 3.857 1.412 ( 1.273 2.549 -1.043) 3.035 1.477 ( -0.558 6.419 -0.659) 6.477 1.576 ( -4.064 -4.311 -1.442) 6.098 1.685 ( 1.867 5.536 0.466) 5.861 1.827 ( 2.476 -0.267 1.637) 2.981 1.976 ( -2.629 1.324 -0.884) 3.074 2.053 ( -1.008 1.246 -1.163) 1.980 2.102 ( -1.185 2.141 -0.402) 2.480 2.150 ( -2.317 1.361 1.933) 3.311 2.221 ( 2.542 -1.974 -1.500) 3.551 2.355 ( 8.580 1.431 0.192) 8.701 2.419 ( 2.637 4.125 0.152) 4.899 2.533 ( 4.200 -5.640 0.733) 7.070 2.582 ( 3.082 2.597 0.120) 4.032 2.697 ( -0.587 2.130 -4.159) 4.710 2.858 ( -1.105 2.502 -0.679) 2.819 2.916 ( -0.528 6.152 -2.777) 6.770 3.071 ( -2.465 -1.607 1.443) 3.277 3.121 ( -0.158 -5.102 0.103) 5.106 3.191 ( -5.067 -3.583 1.486) 6.381 3.387 ( -1.990 0.530 -0.508) 2.121 3.515 ( 2.747 5.307 0.680) 6.015 3.670 ( -2.596 0.414 0.287) 2.645 3.725 ( -2.167 4.251 0.232) 4.777 4.130 ( -0.857 -7.825 0.162) 7.873 4.826 ( 2.155 0.173 0.109) 2.164 4.882 ( 0.512 -2.370 -0.034) 2.425 5.182 ( -0.281 -4.939 -0.032) 4.947 5.347 ( -0.656 -6.128 -0.115) 6.164 5.584 ( 0.045 3.134 0.145) 3.138 5.696 ( 0.456 -3.674 0.126) 3.705 6.169 ( 2.169 4.391 -0.049) 4.897 6.307 ( -3.160 3.920 0.073) 5.035 6.398 ( 3.927 1.859 0.168) 4.348 6.508 ( -0.624 4.512 0.083) 4.556 6.573 ( -0.213 3.525 -0.073) 3.532 6.609 ( -2.008 -0.298 -0.082) 2.032 6.689 ( -1.295 -0.929 -0.238) 1.611 6.756 ( 0.122 -1.204 -0.038) 1.211 6.880 ( 0.425 -3.281 -0.070) 3.309 6.919 ( 0.138 -3.821 0.166) 3.827 6.954 ( -0.215 -1.473 0.035) 1.489 7.123 ( 0.222 -5.126 0.031) 5.131 8.135 ( 0.048 -0.246 0.491) 0.551 8.234 ( -0.363 -3.017 -0.050) 3.039======================= Grid point 200 (99/104) =======================q-point: ( 0.50 0.29 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 91Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.955 ( 0.000 0.259 -0.000) 0.259 0.989 ( 0.000 4.952 0.000) 4.952 1.346 ( -0.000 -0.297 -0.000) 0.297 1.390 ( -0.000 -3.969 0.000) 3.969 1.447 ( 0.000 -2.126 0.000) 2.126 1.532 ( 0.000 1.677 0.000) 1.677 1.731 ( -0.000 8.917 0.000) 8.917 1.891 ( 0.000 -2.074 0.000) 2.074 1.912 ( -0.000 2.959 -0.000) 2.959 2.039 ( -0.000 0.564 0.000) 0.564 2.090 ( 0.000 4.472 0.000) 4.472 2.125 ( -0.000 0.407 0.000) 0.407 2.233 ( 0.000 -3.407 0.000) 3.407 2.447 ( -0.000 4.809 0.000) 4.809 2.518 ( -0.000 7.432 -0.000) 7.432 2.544 ( 0.000 -3.470 0.000) 3.470 2.615 ( 0.000 3.662 0.000) 3.662 2.681 ( -0.000 -0.209 0.000) 0.209 2.849 ( -0.000 1.600 0.000) 1.600 2.903 ( -0.000 6.483 0.000) 6.483 3.007 ( -0.000 -2.281 0.000) 2.281 3.127 ( 0.000 -7.605 0.000) 7.605 3.151 ( -0.000 -2.612 0.000) 2.612 3.359 ( 0.000 -0.226 0.000) 0.226 3.570 ( -0.000 4.227 0.000) 4.227 3.618 ( 0.000 -1.685 0.000) 1.685 3.708 ( -0.000 6.578 -0.000) 6.578 4.121 ( -0.000 -7.803 0.000) 7.803 4.851 ( -0.000 1.351 0.000) 1.351 4.883 ( -0.000 -2.910 0.000) 2.910 5.184 ( -0.000 -5.499 0.000) 5.499 5.338 ( -0.000 -6.304 0.000) 6.304 5.585 ( -0.000 3.179 0.000) 3.179 5.700 ( -0.000 -3.722 0.000) 3.722 6.203 ( 0.000 5.029 0.000) 5.029 6.261 ( -0.000 3.936 0.000) 3.936 6.469 ( -0.000 2.473 0.000) 2.473 6.473 ( 0.000 2.301 0.000) 2.301 6.577 ( 0.000 2.570 0.000) 2.570 6.581 ( -0.000 0.993 -0.000) 0.993 6.675 ( -0.000 -0.381 0.000) 0.381 6.757 ( -0.000 -1.021 0.000) 1.021 6.884 ( -0.000 -3.241 0.000) 3.241 6.921 ( -0.000 -4.217 -0.000) 4.217 6.952 ( -0.000 -1.230 0.000) 1.230 7.126 ( -0.000 -5.079 0.000) 5.079 8.137 ( -0.000 -0.539 0.000) 0.539 8.230 ( -0.000 -3.033 0.000) 3.033======================= Grid point 205 (100/104) =======================q-point: ( 0.00 0.43 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 91Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.010 ( -0.000 10.160 0.000) 10.160 1.064 ( -0.000 11.469 -0.000) 11.469 1.086 ( 0.000 -1.770 0.000) 1.770 1.361 ( -0.000 -11.070 0.000) 11.070 1.505 ( 0.000 5.591 0.000) 5.591 1.611 ( 0.000 -3.521 0.000) 3.521 1.771 ( -0.000 1.830 0.000) 1.830 1.842 ( 0.000 -5.750 0.000) 5.750 1.864 ( -0.000 1.007 -0.000) 1.007 1.870 ( 0.000 0.419 0.000) 0.419 2.063 ( 0.000 2.380 0.000) 2.380 2.093 ( -0.000 -0.303 0.000) 0.303 2.246 ( -0.000 6.014 -0.000) 6.014 2.312 ( -0.000 0.298 0.000) 0.298 2.443 ( 0.000 -5.082 0.000) 5.082 2.449 ( -0.000 -5.582 -0.000) 5.582 2.622 ( 0.000 3.608 0.000) 3.608 2.681 ( -0.000 -1.034 0.000) 1.034 2.815 ( -0.000 -0.613 0.000) 0.613 2.826 ( 0.000 -0.781 0.000) 0.781 3.143 ( 0.000 13.728 0.000) 13.728 3.304 ( -0.000 -3.630 0.000) 3.630 3.416 ( -0.000 2.789 0.000) 2.789 3.484 ( 0.000 1.597 0.000) 1.597 3.601 ( -0.000 3.257 0.000) 3.257 3.755 ( -0.000 -8.708 0.000) 8.708 3.818 ( 0.000 8.668 -0.000) 8.668 3.984 ( -0.000 -7.902 0.000) 7.902 4.692 ( -0.000 0.904 0.000) 0.904 4.745 ( -0.000 -3.723 0.000) 3.723 5.234 ( 0.000 -0.664 0.000) 0.664 5.270 ( -0.000 -3.604 0.000) 3.604 5.640 ( 0.000 1.260 0.000) 1.260 5.645 ( -0.000 0.398 0.000) 0.398 6.153 ( 0.000 2.793 0.000) 2.793 6.202 ( 0.000 -1.853 0.000) 1.853 6.549 ( -0.000 4.871 0.000) 4.871 6.579 ( 0.000 3.014 0.000) 3.014 6.633 ( 0.000 1.511 0.000) 1.511 6.683 ( -0.000 -3.311 0.000) 3.311 6.754 ( -0.000 2.332 0.000) 2.332 6.766 ( 0.000 -0.461 0.000) 0.461 6.803 ( 0.000 -3.421 0.000) 3.421 6.806 ( -0.000 -3.065 -0.000) 3.065 6.959 ( 0.000 1.354 0.000) 1.354 7.013 ( -0.000 -4.046 0.000) 4.046 8.162 ( -0.000 1.555 0.000) 1.555 8.198 ( 0.000 -2.061 0.000) 2.061======================= Grid point 207 (101/104) =======================q-point: ( 0.12 0.43 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.011 ( -0.665 11.427 3.660) 12.017 1.105 ( 3.144 11.391 0.462) 11.826 1.139 ( 2.742 -4.089 4.014) 6.352 1.375 ( 1.311 -10.279 0.300) 10.366 1.537 ( 2.864 8.522 1.131) 9.062 1.627 ( -0.954 0.685 -1.393) 1.822 1.743 ( 0.698 -1.533 0.375) 1.726 1.789 ( -4.241 -5.792 -0.674) 7.210 1.901 ( 4.973 0.392 -1.200) 5.131 1.924 ( 4.038 -1.834 -1.200) 4.594 2.069 ( 0.051 1.586 -0.212) 1.601 2.094 ( 0.735 -0.083 -0.302) 0.799 2.247 ( 0.075 4.257 -0.666) 4.310 2.283 ( -2.572 1.261 0.287) 2.878 2.392 ( -3.077 -4.152 -1.424) 5.360 2.418 ( -3.061 -5.913 1.171) 6.760 2.645 ( 2.298 5.404 -1.200) 5.994 2.709 ( 1.765 0.623 -1.706) 2.533 2.837 ( 1.684 -2.053 -0.297) 2.672 2.846 ( 2.196 -1.691 -0.264) 2.784 3.130 ( -1.081 10.853 0.786) 10.935 3.259 ( -3.539 -3.578 -1.276) 5.192 3.393 ( -2.470 3.673 -0.492) 4.453 3.468 ( -1.853 1.113 0.549) 2.230 3.611 ( 0.632 3.538 0.040) 3.595 3.741 ( -1.318 -6.787 0.171) 6.916 3.828 ( 0.711 8.038 0.578) 8.090 3.991 ( 0.466 -7.828 0.425) 7.853 4.710 ( 1.679 0.624 0.116) 1.795 4.759 ( 1.356 -3.690 0.055) 3.932 5.214 ( -1.727 0.051 -0.202) 1.740 5.262 ( -0.713 -4.330 -0.115) 4.390 5.635 ( -0.358 1.466 0.090) 1.512 5.648 ( 0.144 -0.055 0.125) 0.198 6.169 ( 1.450 3.182 0.086) 3.497 6.224 ( 2.070 -2.183 0.091) 3.010 6.540 ( -1.068 5.789 0.112) 5.888 6.581 ( 0.250 2.729 0.050) 2.741 6.629 ( -0.258 0.946 -0.101) 0.986 6.678 ( -0.869 -4.275 -0.029) 4.363 6.728 ( -1.280 1.826 -0.161) 2.236 6.754 ( -1.633 0.035 -0.042) 1.634 6.798 ( 0.646 -1.879 0.005) 1.987 6.827 ( 0.617 -3.778 0.382) 3.847 6.961 ( 0.123 1.499 -0.049) 1.505 7.016 ( 0.265 -4.052 -0.027) 4.060 8.158 ( -0.389 1.566 0.207) 1.627 8.196 ( -0.250 -2.221 0.025) 2.235======================= Grid point 208 (102/104) =======================q-point: ( 0.25 0.43 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.015 ( -0.632 13.079 3.019) 13.438 1.134 ( -1.511 10.047 2.273) 10.411 1.200 ( 1.638 -5.684 2.840) 6.562 1.405 ( 0.994 -9.910 -0.022) 9.959 1.558 ( -3.464 0.599 -2.543) 4.338 1.577 ( -1.976 0.590 -0.012) 2.062 1.737 ( 2.499 4.122 0.588) 4.856 1.798 ( 2.417 -0.165 0.380) 2.452 2.000 ( 3.487 -0.211 -1.878) 3.966 2.027 ( 1.425 -2.326 0.265) 2.740 2.078 ( 5.807 1.135 -2.167) 6.301 2.137 ( 3.427 -3.589 -2.487) 5.551 2.219 ( -1.218 3.823 -0.378) 4.030 2.264 ( 1.167 2.450 2.448) 3.655 2.350 ( -0.173 -3.640 2.180) 4.246 2.379 ( -0.764 -3.916 2.086) 4.502 2.674 ( 1.291 6.093 -3.340) 7.068 2.724 ( 1.168 1.964 -2.752) 3.577 2.876 ( 2.471 -2.875 -1.289) 4.004 2.881 ( 0.899 -3.068 -0.910) 3.324 3.123 ( -0.231 5.771 1.994) 6.110 3.179 ( -3.655 -1.356 -0.488) 3.929 3.302 ( -6.197 4.576 -0.745) 7.739 3.412 ( -3.843 -2.945 0.139) 4.843 3.618 ( 0.097 5.004 -0.027) 5.005 3.707 ( -2.124 -3.449 0.236) 4.058 3.844 ( 0.489 7.574 0.530) 7.609 3.998 ( -0.104 -7.411 0.474) 7.427 4.754 ( 2.514 -0.022 0.203) 2.522 4.794 ( 1.813 -3.634 0.077) 4.061 5.174 ( -1.793 1.150 -0.257) 2.146 5.242 ( -1.068 -5.359 -0.211) 5.468 5.631 ( -0.077 1.674 0.171) 1.685 5.652 ( 0.220 -0.711 0.171) 0.764 6.208 ( 2.240 3.899 0.091) 4.497 6.276 ( 2.760 -2.859 0.128) 3.976 6.505 ( -2.276 6.511 0.117) 6.898 6.585 ( -0.354 1.504 0.130) 1.550 6.624 ( -0.495 0.044 -0.060) 0.500 6.641 ( -1.792 -2.157 -0.312) 2.821 6.719 ( 0.005 0.451 0.013) 0.451 6.722 ( -1.200 0.870 -0.069) 1.484 6.811 ( 0.466 -1.923 0.064) 1.980 6.833 ( -0.033 -4.021 0.367) 4.038 6.963 ( 0.155 1.824 -0.069) 1.832 7.023 ( 0.371 -4.107 -0.027) 4.124 8.150 ( -0.483 1.421 0.275) 1.525 8.188 ( -0.485 -2.428 0.003) 2.476======================= Grid point 209 (103/104) =======================q-point: ( 0.38 0.43 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.017 ( 0.427 11.399 0.480) 11.417 1.106 ( -1.628 6.648 3.145) 7.532 1.226 ( 0.200 -6.264 1.318) 6.405 1.343 ( -6.489 -13.040 -2.015) 14.704 1.500 ( -0.194 4.052 -0.774) 4.130 1.553 ( 0.009 -0.791 0.231) 0.824 1.802 ( 1.933 3.803 -0.526) 4.298 1.844 ( 1.675 0.327 -0.281) 1.729 1.991 ( -0.682 2.258 -1.388) 2.737 2.042 ( 1.279 -1.484 -1.737) 2.619 2.127 ( -1.450 -0.539 -2.002) 2.530 2.141 ( -0.840 -1.447 1.433) 2.203 2.243 ( 1.175 4.874 -0.153) 5.016 2.364 ( 1.509 -6.693 -0.488) 6.878 2.421 ( 9.746 4.046 4.782) 11.586 2.488 ( 9.054 -2.137 3.861) 10.072 2.675 ( 0.824 6.254 -2.663) 6.848 2.740 ( 1.652 1.121 -2.552) 3.240 2.870 ( -1.085 -0.312 -2.058) 2.348 2.915 ( 1.620 -4.996 -1.649) 5.504 3.090 ( -4.756 0.822 1.851) 5.169 3.126 ( -4.798 -2.715 1.903) 5.832 3.165 ( -3.063 9.976 -1.352) 10.523 3.331 ( -3.303 -6.051 -0.716) 6.931 3.618 ( 0.017 4.065 0.038) 4.066 3.662 ( -2.180 -0.828 0.057) 2.333 3.850 ( -0.008 7.505 0.260) 7.509 3.992 ( -0.594 -6.734 0.268) 6.765 4.803 ( 1.968 -1.159 0.186) 2.292 4.822 ( 0.865 -3.016 0.050) 3.138 5.148 ( -0.640 1.530 -0.153) 1.665 5.223 ( -0.683 -5.618 -0.223) 5.664 5.632 ( 0.111 1.768 0.145) 1.777 5.658 ( 0.203 -1.065 0.127) 1.092 6.256 ( 2.462 4.180 0.045) 4.852 6.322 ( 1.191 -2.106 0.131) 2.423 6.465 ( -1.104 4.779 0.072) 4.905 6.544 ( -3.212 -2.144 0.000) 3.861 6.615 ( 0.118 1.623 -0.093) 1.630 6.632 ( 0.133 1.224 -0.134) 1.239 6.700 ( -0.734 1.827 -0.032) 1.970 6.725 ( 0.223 -1.067 0.007) 1.090 6.816 ( 0.030 -2.262 0.077) 2.264 6.835 ( 0.090 -3.857 0.219) 3.865 6.965 ( 0.079 2.132 -0.051) 2.134 7.029 ( 0.242 -4.204 -0.015) 4.211 8.142 ( -0.308 1.102 0.193) 1.161 8.178 ( -0.407 -2.471 -0.025) 2.504======================= Grid point 210 (104/104) =======================q-point: ( 0.50 0.43 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 Number of triplets: 91Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.033 ( -0.000 7.071 -0.000) 7.071 1.100 ( -0.000 5.444 0.000) 5.444 1.228 ( -0.000 -8.822 0.000) 8.822 1.251 ( 0.000 -6.599 0.000) 6.599 1.494 ( -0.000 4.442 0.000) 4.442 1.564 ( 0.000 -1.240 0.000) 1.240 1.828 ( 0.000 0.920 0.000) 0.920 1.835 ( -0.000 -1.586 -0.000) 1.586 1.999 ( 0.000 5.417 -0.000) 5.417 2.051 ( -0.000 0.304 0.000) 0.304 2.111 ( -0.000 -1.136 0.000) 1.136 2.117 ( 0.000 -1.440 -0.000) 1.440 2.253 ( 0.000 4.842 0.000) 4.842 2.376 ( -0.000 -6.959 0.000) 6.959 2.572 ( -0.000 2.242 -0.000) 2.242 2.612 ( -0.000 -1.244 0.000) 1.244 2.703 ( -0.000 7.165 0.000) 7.165 2.749 ( 0.000 6.643 0.000) 6.643 2.855 ( -0.000 -0.662 0.000) 0.662 2.904 ( 0.000 -8.206 0.000) 8.206 3.028 ( -0.000 1.417 0.000) 1.417 3.029 ( 0.000 -0.987 -0.000) 0.987 3.160 ( -0.000 5.731 0.000) 5.731 3.295 ( -0.000 -6.049 0.000) 6.049 3.624 ( -0.000 1.532 0.000) 1.532 3.632 ( 0.000 1.423 0.000) 1.423 3.850 ( -0.000 7.516 -0.000) 7.516 3.985 ( -0.000 -6.396 0.000) 6.396 4.824 ( -0.000 -2.061 0.000) 2.061 4.831 ( 0.000 -2.311 0.000) 2.311 5.143 ( -0.000 1.430 0.000) 1.430 5.215 ( -0.000 -5.451 0.000) 5.451 5.634 ( -0.000 1.795 0.000) 1.795 5.660 ( -0.000 -1.150 0.000) 1.150 6.295 ( -0.000 3.632 0.000) 3.632 6.319 ( -0.000 1.343 0.000) 1.343 6.479 ( -0.000 -0.222 0.000) 0.222 6.485 ( 0.000 -0.637 0.000) 0.637 6.617 ( -0.000 2.071 0.000) 2.071 6.634 ( -0.000 1.442 0.000) 1.442 6.692 ( -0.000 2.063 0.000) 2.063 6.727 ( -0.000 -1.470 0.000) 1.470 6.816 ( -0.000 -2.293 0.000) 2.293 6.837 ( -0.000 -3.801 -0.000) 3.801 6.966 ( -0.000 2.261 0.000) 2.261 7.031 ( -0.000 -4.253 0.000) 4.253 8.140 ( -0.000 0.929 0.000) 0.929 8.174 ( -0.000 -2.452 0.000) 2.452=================== 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 3/16128 10.0 64.657 36.395 35.068 0.000 -3.021 0.000 3/16128 20.0 16.136 13.691 8.261 0.000 -1.002 0.000 3/16128 30.0 7.894 7.829 3.929 0.000 -0.558 0.000 3/16128 40.0 5.185 5.623 2.538 0.000 -0.380 0.000 3/16128 50.0 3.885 4.467 1.881 0.000 -0.286 0.000 3/16128 60.0 3.120 3.736 1.499 0.000 -0.230 0.000 3/16128 70.0 2.614 3.223 1.249 0.000 -0.192 0.000 3/16128 80.0 2.252 2.841 1.072 0.000 -0.165 0.000 3/16128 90.0 1.981 2.542 0.940 0.000 -0.145 0.000 3/16128 100.0 1.769 2.303 0.837 0.000 -0.130 0.000 3/16128 110.0 1.599 2.106 0.755 0.000 -0.117 0.000 3/16128 120.0 1.459 1.941 0.688 0.000 -0.107 0.000 3/16128 130.0 1.343 1.800 0.632 0.000 -0.098 0.000 3/16128 140.0 1.244 1.679 0.585 0.000 -0.091 0.000 3/16128 150.0 1.158 1.573 0.544 0.000 -0.085 0.000 3/16128 160.0 1.084 1.480 0.509 0.000 -0.079 0.000 3/16128 170.0 1.019 1.397 0.478 0.000 -0.074 0.000 3/16128 180.0 0.962 1.323 0.451 0.000 -0.070 0.000 3/16128 190.0 0.910 1.257 0.427 0.000 -0.066 0.000 3/16128 200.0 0.864 1.197 0.405 0.000 -0.063 0.000 3/16128 210.0 0.823 1.143 0.385 0.000 -0.060 0.000 3/16128 220.0 0.785 1.093 0.367 0.000 -0.057 0.000 3/16128 230.0 0.751 1.047 0.351 0.000 -0.055 0.000 3/16128 240.0 0.719 1.005 0.336 0.000 -0.052 0.000 3/16128 250.0 0.690 0.967 0.323 0.000 -0.050 0.000 3/16128 260.0 0.664 0.931 0.310 0.000 -0.048 0.000 3/16128 270.0 0.639 0.898 0.299 0.000 -0.046 0.000 3/16128 280.0 0.616 0.867 0.288 0.000 -0.045 0.000 3/16128 290.0 0.595 0.838 0.278 0.000 -0.043 0.000 3/16128 300.0 0.575 0.811 0.269 0.000 -0.042 0.000 3/16128 310.0 0.556 0.786 0.260 0.000 -0.040 0.000 3/16128 320.0 0.539 0.762 0.252 0.000 -0.039 0.000 3/16128 330.0 0.523 0.739 0.244 0.000 -0.038 0.000 3/16128 340.0 0.507 0.718 0.237 0.000 -0.037 0.000 3/16128 350.0 0.493 0.698 0.230 0.000 -0.036 0.000 3/16128 360.0 0.479 0.679 0.224 0.000 -0.035 0.000 3/16128 370.0 0.466 0.662 0.218 0.000 -0.034 0.000 3/16128 380.0 0.454 0.645 0.212 0.000 -0.033 0.000 3/16128 390.0 0.442 0.629 0.206 0.000 -0.032 0.000 3/16128 400.0 0.431 0.613 0.201 0.000 -0.031 0.000 3/16128 410.0 0.421 0.599 0.196 0.000 -0.030 0.000 3/16128 420.0 0.411 0.585 0.192 0.000 -0.030 0.000 3/16128 430.0 0.401 0.571 0.187 0.000 -0.029 0.000 3/16128 440.0 0.392 0.559 0.183 0.000 -0.028 0.000 3/16128 450.0 0.383 0.547 0.179 0.000 -0.028 0.000 3/16128 460.0 0.375 0.535 0.175 0.000 -0.027 0.000 3/16128 470.0 0.367 0.524 0.171 0.000 -0.027 0.000 3/16128 480.0 0.359 0.513 0.168 0.000 -0.026 0.000 3/16128 490.0 0.352 0.503 0.164 0.000 -0.025 0.000 3/16128 500.0 0.345 0.493 0.161 0.000 -0.025 0.000 3/16128 510.0 0.338 0.484 0.158 0.000 -0.024 0.000 3/16128 520.0 0.332 0.475 0.155 0.000 -0.024 0.000 3/16128 530.0 0.326 0.466 0.152 0.000 -0.024 0.000 3/16128 540.0 0.319 0.457 0.149 0.000 -0.023 0.000 3/16128 550.0 0.314 0.449 0.146 0.000 -0.023 0.000 3/16128 560.0 0.308 0.441 0.144 0.000 -0.022 0.000 3/16128 570.0 0.303 0.434 0.141 0.000 -0.022 0.000 3/16128 580.0 0.298 0.426 0.139 0.000 -0.022 0.000 3/16128 590.0 0.292 0.419 0.136 0.000 -0.021 0.000 3/16128 600.0 0.288 0.412 0.134 0.000 -0.021 0.000 3/16128 610.0 0.283 0.406 0.132 0.000 -0.020 0.000 3/16128 620.0 0.278 0.399 0.130 0.000 -0.020 0.000 3/16128 630.0 0.274 0.393 0.128 0.000 -0.020 0.000 3/16128 640.0 0.270 0.387 0.126 0.000 -0.020 0.000 3/16128 650.0 0.266 0.381 0.124 0.000 -0.019 0.000 3/16128 660.0 0.262 0.375 0.122 0.000 -0.019 0.000 3/16128 670.0 0.258 0.370 0.120 0.000 -0.019 0.000 3/16128 680.0 0.254 0.365 0.118 0.000 -0.018 0.000 3/16128 690.0 0.250 0.359 0.117 0.000 -0.018 0.000 3/16128 700.0 0.247 0.354 0.115 0.000 -0.018 0.000 3/16128 710.0 0.243 0.349 0.113 0.000 -0.018 0.000 3/16128 720.0 0.240 0.345 0.112 0.000 -0.017 0.000 3/16128 730.0 0.237 0.340 0.110 0.000 -0.017 0.000 3/16128 740.0 0.233 0.335 0.109 0.000 -0.017 0.000 3/16128 750.0 0.230 0.331 0.107 0.000 -0.017 0.000 3/16128 760.0 0.227 0.327 0.106 0.000 -0.016 0.000 3/16128 770.0 0.224 0.323 0.105 0.000 -0.016 0.000 3/16128 780.0 0.221 0.319 0.103 0.000 -0.016 0.000 3/16128 790.0 0.219 0.315 0.102 0.000 -0.016 0.000 3/16128 800.0 0.216 0.311 0.101 0.000 -0.016 0.000 3/16128 810.0 0.213 0.307 0.099 0.000 -0.015 0.000 3/16128 820.0 0.211 0.303 0.098 0.000 -0.015 0.000 3/16128 830.0 0.208 0.300 0.097 0.000 -0.015 0.000 3/16128 840.0 0.206 0.296 0.096 0.000 -0.015 0.000 3/16128 850.0 0.203 0.293 0.095 0.000 -0.015 0.000 3/16128 860.0 0.201 0.289 0.094 0.000 -0.015 0.000 3/16128 870.0 0.199 0.286 0.093 0.000 -0.014 0.000 3/16128 880.0 0.196 0.283 0.092 0.000 -0.014 0.000 3/16128 890.0 0.194 0.280 0.090 0.000 -0.014 0.000 3/16128 900.0 0.192 0.277 0.089 0.000 -0.014 0.000 3/16128 910.0 0.190 0.274 0.088 0.000 -0.014 0.000 3/16128 920.0 0.188 0.271 0.088 0.000 -0.014 0.000 3/16128 930.0 0.186 0.268 0.087 0.000 -0.013 0.000 3/16128 940.0 0.184 0.265 0.086 0.000 -0.013 0.000 3/16128 950.0 0.182 0.262 0.085 0.000 -0.013 0.000 3/16128 960.0 0.180 0.259 0.084 0.000 -0.013 0.000 3/16128 970.0 0.178 0.257 0.083 0.000 -0.013 0.000 3/16128 980.0 0.176 0.254 0.082 0.000 -0.013 0.000 3/16128 990.0 0.175 0.252 0.081 0.000 -0.013 0.000 3/16128 1000.0 0.173 0.249 0.081 0.000 -0.012 0.000 3/16128Thermal conductivity related properties were written into "kappa-m876.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 23:55:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|