# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/3a89cd54-55f0-476b-8e08-8c0e931b42f4/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 ErSeF / Pnma (62) / materials id 27123](https://mdr.nims.go.jp/datasets/12e41631-aa94-4562-82c1-2ef5b09c6304) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 05:57:19]-------------------------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: [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pnma (62)Number of symmetry operations in supercell: 24------------------------------ primitive cell ------------------------------Lattice vectors: a 9.835390739999998 0.000000000000000 0.000000000000000 b 0.000000000000000 3.991132860000000 0.000000000000000 c 0.000000000000000 0.000000000000000 18.492672519999999Atomic positions (fractional): *1 F 0.18042489232006 0.25000000000000 0.80401230186137 18.998 2 F 0.81957510767994 0.75000000000000 0.19598769813863 18.998 3 F 0.68042489232006 0.25000000000000 0.69598769813863 18.998 4 F 0.31957510767994 0.75000000000000 0.30401230186137 18.998 *5 F 0.84799569704032 0.25000000000000 0.12691215059257 18.998 6 F 0.15200430295967 0.75000000000000 0.87308784940743 18.998 7 F 0.34799569704033 0.25000000000000 0.37308784940743 18.998 8 F 0.65200430295968 0.75000000000000 0.62691215059257 18.998 *9 F 0.01217421990703 0.25000000000000 0.03493133253995 18.998 10 F 0.98782578009297 0.75000000000000 0.96506866746005 18.998 11 F 0.51217421990703 0.25000000000000 0.46506866746005 18.998 12 F 0.48782578009297 0.75000000000000 0.53493133253995 18.998 *13 Se 0.16579058702207 0.75000000000000 0.16070714839922 78.960 14 Se 0.83420941297794 0.25000000000000 0.83929285160078 78.960 15 Se 0.66579058702206 0.75000000000000 0.33929285160078 78.960 16 Se 0.33420941297793 0.25000000000000 0.66070714839922 78.960 *17 Se 0.16546697950411 0.75000000000000 0.48554781478599 78.960 18 Se 0.83453302049589 0.25000000000000 0.51445218521401 78.960 19 Se 0.66546697950411 0.75000000000000 0.01445218521401 78.960 20 Se 0.33453302049589 0.25000000000000 0.98554781478599 78.960 *21 Se 0.50107229385678 0.75000000000000 0.82136699033225 78.960 22 Se 0.49892770614322 0.25000000000000 0.17863300966775 78.960 23 Se 0.00107229385678 0.75000000000000 0.67863300966775 78.960 24 Se 0.99892770614322 0.25000000000000 0.32136699033225 78.960 *25 Er 0.26032628713732 0.25000000000000 0.26123916517542 167.259 26 Er 0.73967371286268 0.75000000000000 0.73876083482458 167.259 27 Er 0.76032628713732 0.25000000000000 0.23876083482458 167.259 28 Er 0.23967371286268 0.75000000000000 0.76123916517542 167.259 *29 Er 0.07488913937608 0.25000000000000 0.91920057046552 167.259 30 Er 0.92511086062392 0.75000000000000 0.08079942953448 167.259 31 Er 0.57488913937608 0.25000000000000 0.58079942953448 167.259 32 Er 0.42511086062392 0.75000000000000 0.41920057046552 167.259 *33 Er 0.09055396350226 0.25000000000000 0.58354987999172 167.259 34 Er 0.90944603649775 0.75000000000000 0.41645012000828 167.259 35 Er 0.59055396350225 0.25000000000000 0.91645012000828 167.259 36 Er 0.40944603649775 0.75000000000000 0.08354987999172 167.259-------------------------------- unit cell ---------------------------------Lattice vectors: a 9.835390739999998 0.000000000000000 0.000000000000000 b 0.000000000000000 3.991132860000000 0.000000000000000 c 0.000000000000000 0.000000000000000 18.492672519999999Atomic positions (fractional): *1 F 0.18042489232006 0.25000000000000 0.80401230186137 18.998 > 1 2 F 0.81957510767994 0.75000000000000 0.19598769813863 18.998 > 2 3 F 0.68042489232006 0.25000000000000 0.69598769813863 18.998 > 3 4 F 0.31957510767994 0.75000000000000 0.30401230186137 18.998 > 4 *5 F 0.84799569704032 0.25000000000000 0.12691215059257 18.998 > 5 6 F 0.15200430295967 0.75000000000000 0.87308784940743 18.998 > 6 7 F 0.34799569704033 0.25000000000000 0.37308784940743 18.998 > 7 8 F 0.65200430295968 0.75000000000000 0.62691215059257 18.998 > 8 *9 F 0.01217421990703 0.25000000000000 0.03493133253995 18.998 > 9 10 F 0.98782578009297 0.75000000000000 0.96506866746005 18.998 > 10 11 F 0.51217421990703 0.25000000000000 0.46506866746005 18.998 > 11 12 F 0.48782578009297 0.75000000000000 0.53493133253995 18.998 > 12 *13 Se 0.16579058702207 0.75000000000000 0.16070714839922 78.960 > 13 14 Se 0.83420941297794 0.25000000000000 0.83929285160078 78.960 > 14 15 Se 0.66579058702206 0.75000000000000 0.33929285160078 78.960 > 15 16 Se 0.33420941297793 0.25000000000000 0.66070714839922 78.960 > 16 *17 Se 0.16546697950411 0.75000000000000 0.48554781478599 78.960 > 17 18 Se 0.83453302049589 0.25000000000000 0.51445218521401 78.960 > 18 19 Se 0.66546697950411 0.75000000000000 0.01445218521401 78.960 > 19 20 Se 0.33453302049589 0.25000000000000 0.98554781478599 78.960 > 20 *21 Se 0.50107229385678 0.75000000000000 0.82136699033225 78.960 > 21 22 Se 0.49892770614322 0.25000000000000 0.17863300966775 78.960 > 22 23 Se 0.00107229385678 0.75000000000000 0.67863300966775 78.960 > 23 24 Se 0.99892770614322 0.25000000000000 0.32136699033225 78.960 > 24 *25 Er 0.26032628713732 0.25000000000000 0.26123916517542 167.259 > 25 26 Er 0.73967371286268 0.75000000000000 0.73876083482458 167.259 > 26 27 Er 0.76032628713732 0.25000000000000 0.23876083482458 167.259 > 27 28 Er 0.23967371286268 0.75000000000000 0.76123916517542 167.259 > 28 *29 Er 0.07488913937608 0.25000000000000 0.91920057046552 167.259 > 29 30 Er 0.92511086062392 0.75000000000000 0.08079942953448 167.259 > 30 31 Er 0.57488913937608 0.25000000000000 0.58079942953448 167.259 > 31 32 Er 0.42511086062392 0.75000000000000 0.41920057046552 167.259 > 32 *33 Er 0.09055396350226 0.25000000000000 0.58354987999172 167.259 > 33 34 Er 0.90944603649775 0.75000000000000 0.41645012000828 167.259 > 34 35 Er 0.59055396350225 0.25000000000000 0.91645012000828 167.259 > 35 36 Er 0.40944603649775 0.75000000000000 0.08354987999172 167.259 > 36-------------------------------- super cell --------------------------------Lattice vectors: a 9.835390739999998 0.000000000000000 0.000000000000000 b 0.000000000000000 11.973398580000000 0.000000000000000 c 0.000000000000000 0.000000000000000 18.492672519999999Atomic positions (fractional): *1 F 0.18042489232006 0.08333333333333 0.80401230186137 18.998 > 1 2 F 0.18042489232006 0.41666666666667 0.80401230186137 18.998 > 1 3 F 0.18042489232006 0.75000000000000 0.80401230186137 18.998 > 1 4 F 0.81957510767994 0.25000000000000 0.19598769813863 18.998 > 2 5 F 0.81957510767994 0.58333333333333 0.19598769813863 18.998 > 2 6 F 0.81957510767994 0.91666666666667 0.19598769813863 18.998 > 2 7 F 0.68042489232006 0.08333333333333 0.69598769813863 18.998 > 3 8 F 0.68042489232006 0.41666666666667 0.69598769813863 18.998 > 3 9 F 0.68042489232006 0.75000000000000 0.69598769813863 18.998 > 3 10 F 0.31957510767994 0.25000000000000 0.30401230186137 18.998 > 4 11 F 0.31957510767994 0.58333333333333 0.30401230186137 18.998 > 4 12 F 0.31957510767994 0.91666666666667 0.30401230186137 18.998 > 4 *13 F 0.84799569704032 0.08333333333333 0.12691215059257 18.998 > 5 14 F 0.84799569704032 0.41666666666667 0.12691215059257 18.998 > 5 15 F 0.84799569704032 0.75000000000000 0.12691215059257 18.998 > 5 16 F 0.15200430295967 0.25000000000000 0.87308784940743 18.998 > 6 17 F 0.15200430295967 0.58333333333333 0.87308784940743 18.998 > 6 18 F 0.15200430295967 0.91666666666667 0.87308784940743 18.998 > 6 19 F 0.34799569704033 0.08333333333333 0.37308784940743 18.998 > 7 20 F 0.34799569704033 0.41666666666667 0.37308784940743 18.998 > 7 21 F 0.34799569704033 0.75000000000000 0.37308784940743 18.998 > 7 22 F 0.65200430295968 0.25000000000000 0.62691215059257 18.998 > 8 23 F 0.65200430295968 0.58333333333333 0.62691215059257 18.998 > 8 24 F 0.65200430295968 0.91666666666667 0.62691215059257 18.998 > 8 *25 F 0.01217421990703 0.08333333333333 0.03493133253995 18.998 > 9 26 F 0.01217421990703 0.41666666666667 0.03493133253995 18.998 > 9 27 F 0.01217421990703 0.75000000000000 0.03493133253995 18.998 > 9 28 F 0.98782578009297 0.25000000000000 0.96506866746005 18.998 > 10 29 F 0.98782578009297 0.58333333333333 0.96506866746005 18.998 > 10 30 F 0.98782578009297 0.91666666666667 0.96506866746005 18.998 > 10 31 F 0.51217421990703 0.08333333333333 0.46506866746005 18.998 > 11 32 F 0.51217421990703 0.41666666666667 0.46506866746005 18.998 > 11 33 F 0.51217421990703 0.75000000000000 0.46506866746005 18.998 > 11 34 F 0.48782578009297 0.25000000000000 0.53493133253995 18.998 > 12 35 F 0.48782578009297 0.58333333333333 0.53493133253995 18.998 > 12 36 F 0.48782578009297 0.91666666666667 0.53493133253995 18.998 > 12 *37 Se 0.16579058702207 0.25000000000000 0.16070714839922 78.960 > 13 38 Se 0.16579058702207 0.58333333333333 0.16070714839922 78.960 > 13 39 Se 0.16579058702207 0.91666666666667 0.16070714839922 78.960 > 13 40 Se 0.83420941297794 0.08333333333333 0.83929285160078 78.960 > 14 41 Se 0.83420941297794 0.41666666666667 0.83929285160078 78.960 > 14 42 Se 0.83420941297794 0.75000000000000 0.83929285160078 78.960 > 14 43 Se 0.66579058702206 0.25000000000000 0.33929285160078 78.960 > 15 44 Se 0.66579058702206 0.58333333333333 0.33929285160078 78.960 > 15 45 Se 0.66579058702206 0.91666666666667 0.33929285160078 78.960 > 15 46 Se 0.33420941297793 0.08333333333333 0.66070714839922 78.960 > 16 47 Se 0.33420941297793 0.41666666666667 0.66070714839922 78.960 > 16 48 Se 0.33420941297793 0.75000000000000 0.66070714839922 78.960 > 16 *49 Se 0.16546697950411 0.25000000000000 0.48554781478599 78.960 > 17 50 Se 0.16546697950411 0.58333333333333 0.48554781478599 78.960 > 17 51 Se 0.16546697950411 0.91666666666667 0.48554781478599 78.960 > 17 52 Se 0.83453302049589 0.08333333333333 0.51445218521401 78.960 > 18 53 Se 0.83453302049589 0.41666666666667 0.51445218521401 78.960 > 18 54 Se 0.83453302049589 0.75000000000000 0.51445218521401 78.960 > 18 55 Se 0.66546697950411 0.25000000000000 0.01445218521401 78.960 > 19 56 Se 0.66546697950411 0.58333333333333 0.01445218521401 78.960 > 19 57 Se 0.66546697950411 0.91666666666667 0.01445218521401 78.960 > 19 58 Se 0.33453302049589 0.08333333333333 0.98554781478599 78.960 > 20 59 Se 0.33453302049589 0.41666666666667 0.98554781478599 78.960 > 20 60 Se 0.33453302049589 0.75000000000000 0.98554781478599 78.960 > 20 *61 Se 0.50107229385678 0.25000000000000 0.82136699033225 78.960 > 21 62 Se 0.50107229385678 0.58333333333333 0.82136699033225 78.960 > 21 63 Se 0.50107229385678 0.91666666666667 0.82136699033225 78.960 > 21 64 Se 0.49892770614322 0.08333333333333 0.17863300966775 78.960 > 22 65 Se 0.49892770614322 0.41666666666667 0.17863300966775 78.960 > 22 66 Se 0.49892770614322 0.75000000000000 0.17863300966775 78.960 > 22 67 Se 0.00107229385678 0.25000000000000 0.67863300966775 78.960 > 23 68 Se 0.00107229385678 0.58333333333333 0.67863300966775 78.960 > 23 69 Se 0.00107229385678 0.91666666666667 0.67863300966775 78.960 > 23 70 Se 0.99892770614322 0.08333333333333 0.32136699033225 78.960 > 24 71 Se 0.99892770614322 0.41666666666667 0.32136699033225 78.960 > 24 72 Se 0.99892770614322 0.75000000000000 0.32136699033225 78.960 > 24 *73 Er 0.26032628713732 0.08333333333333 0.26123916517542 167.259 > 25 74 Er 0.26032628713732 0.41666666666667 0.26123916517542 167.259 > 25 75 Er 0.26032628713732 0.75000000000000 0.26123916517542 167.259 > 25 76 Er 0.73967371286268 0.25000000000000 0.73876083482458 167.259 > 26 77 Er 0.73967371286268 0.58333333333333 0.73876083482458 167.259 > 26 78 Er 0.73967371286268 0.91666666666667 0.73876083482458 167.259 > 26 79 Er 0.76032628713732 0.08333333333333 0.23876083482458 167.259 > 27 80 Er 0.76032628713732 0.41666666666667 0.23876083482458 167.259 > 27 81 Er 0.76032628713732 0.75000000000000 0.23876083482458 167.259 > 27 82 Er 0.23967371286268 0.25000000000000 0.76123916517542 167.259 > 28 83 Er 0.23967371286268 0.58333333333333 0.76123916517542 167.259 > 28 84 Er 0.23967371286268 0.91666666666667 0.76123916517542 167.259 > 28 *85 Er 0.07488913937608 0.08333333333333 0.91920057046552 167.259 > 29 86 Er 0.07488913937608 0.41666666666667 0.91920057046552 167.259 > 29 87 Er 0.07488913937608 0.75000000000000 0.91920057046552 167.259 > 29 88 Er 0.92511086062392 0.25000000000000 0.08079942953448 167.259 > 30 89 Er 0.92511086062392 0.58333333333333 0.08079942953448 167.259 > 30 90 Er 0.92511086062392 0.91666666666667 0.08079942953448 167.259 > 30 91 Er 0.57488913937608 0.08333333333333 0.58079942953448 167.259 > 31 92 Er 0.57488913937608 0.41666666666667 0.58079942953448 167.259 > 31 93 Er 0.57488913937608 0.75000000000000 0.58079942953448 167.259 > 31 94 Er 0.42511086062392 0.25000000000000 0.41920057046552 167.259 > 32 95 Er 0.42511086062392 0.58333333333333 0.41920057046552 167.259 > 32 96 Er 0.42511086062392 0.91666666666667 0.41920057046552 167.259 > 32 *97 Er 0.09055396350226 0.08333333333333 0.58354987999172 167.259 > 33 98 Er 0.09055396350226 0.41666666666667 0.58354987999172 167.259 > 33 99 Er 0.09055396350226 0.75000000000000 0.58354987999172 167.259 > 33 100 Er 0.90944603649775 0.25000000000000 0.41645012000828 167.259 > 34 101 Er 0.90944603649775 0.58333333333333 0.41645012000828 167.259 > 34 102 Er 0.90944603649775 0.91666666666667 0.41645012000828 167.259 > 34 103 Er 0.59055396350225 0.08333333333333 0.91645012000828 167.259 > 35 104 Er 0.59055396350225 0.41666666666667 0.91645012000828 167.259 > 35 105 Er 0.59055396350225 0.75000000000000 0.91645012000828 167.259 > 35 106 Er 0.40944603649775 0.25000000000000 0.08354987999172 167.259 > 36 107 Er 0.40944603649775 0.58333333333333 0.08354987999172 167.259 > 36 108 Er 0.40944603649775 0.91666666666667 0.08354987999172 167.259 > 36----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 5.9914383 0.0000000 0.0000000 0.0000000 5.7727068 0.0000000 0.0000000 0.0000000 5.5566474-------------------------- Born effective charges -------------------------- 1 F -1.2605551 0.0000000 0.3632576 0.0000000 -1.9767101 0.0000000 0.4084221 0.0000000 -1.8474441 2 F -1.2605551 0.0000000 0.3632576 0.0000000 -1.9767101 0.0000000 0.4084221 0.0000000 -1.8474441 3 F -1.2605551 0.0000000 -0.3632576 0.0000000 -1.9767101 0.0000000 -0.4084221 0.0000000 -1.8474441 4 F -1.2605551 0.0000000 -0.3632576 0.0000000 -1.9767101 0.0000000 -0.4084221 0.0000000 -1.8474441 5 F -1.3493474 0.0000000 0.2552882 0.0000000 -1.6456759 0.0000000 0.2921283 0.0000000 -1.7938788 6 F -1.3493474 0.0000000 0.2552882 0.0000000 -1.6456759 0.0000000 0.2921283 0.0000000 -1.7938788 7 F -1.3493474 0.0000000 -0.2552882 0.0000000 -1.6456759 0.0000000 -0.2921283 0.0000000 -1.7938788 8 F -1.3493474 0.0000000 -0.2552882 0.0000000 -1.6456759 0.0000000 -0.2921283 0.0000000 -1.7938788 9 F -1.3439608 0.0000000 0.2775192 0.0000000 -1.5729535 0.0000000 0.2507871 0.0000000 -1.6364348 10 F -1.3439608 0.0000000 0.2775192 0.0000000 -1.5729535 0.0000000 0.2507871 0.0000000 -1.6364348 11 F -1.3439608 0.0000000 -0.2775192 0.0000000 -1.5729535 0.0000000 -0.2507871 0.0000000 -1.6364348 12 F -1.3439608 0.0000000 -0.2775192 0.0000000 -1.5729535 0.0000000 -0.2507871 0.0000000 -1.6364348 13 Se -2.7872069 0.0000000 0.0269932 0.0000000 -1.7680134 0.0000000 -0.0783058 0.0000000 -2.0811161 14 Se -2.7872069 0.0000000 0.0269932 0.0000000 -1.7680134 0.0000000 -0.0783058 0.0000000 -2.0811161 15 Se -2.7872069 0.0000000 -0.0269932 0.0000000 -1.7680134 0.0000000 0.0783058 0.0000000 -2.0811161 16 Se -2.7872069 0.0000000 -0.0269932 0.0000000 -1.7680134 0.0000000 0.0783058 0.0000000 -2.0811161 17 Se -2.6119464 0.0000000 0.1923377 0.0000000 -2.4742163 0.0000000 0.2118586 0.0000000 -2.3242338 18 Se -2.6119464 0.0000000 0.1923377 0.0000000 -2.4742163 0.0000000 0.2118586 0.0000000 -2.3242338 19 Se -2.6119464 0.0000000 -0.1923377 0.0000000 -2.4742163 0.0000000 -0.2118586 0.0000000 -2.3242338 20 Se -2.6119464 0.0000000 -0.1923377 0.0000000 -2.4742163 0.0000000 -0.2118586 0.0000000 -2.3242338 21 Se -2.7551017 0.0000000 -0.2438998 0.0000000 -2.4268594 0.0000000 -0.5701799 0.0000000 -2.3778272 22 Se -2.7551017 0.0000000 -0.2438998 0.0000000 -2.4268594 0.0000000 -0.5701799 0.0000000 -2.3778272 23 Se -2.7551017 0.0000000 0.2438998 0.0000000 -2.4268594 0.0000000 0.5701799 0.0000000 -2.3778272 24 Se -2.7551017 0.0000000 0.2438998 0.0000000 -2.4268594 0.0000000 0.5701799 0.0000000 -2.3778272 25 Er 3.9846472 0.0000000 -0.8230453 0.0000000 3.7879858 0.0000000 -0.7775411 0.0000000 4.0662901 26 Er 3.9846472 0.0000000 -0.8230453 0.0000000 3.7879858 0.0000000 -0.7775411 0.0000000 4.0662901 27 Er 3.9846472 0.0000000 0.8230453 0.0000000 3.7879858 0.0000000 0.7775411 0.0000000 4.0662901 28 Er 3.9846472 0.0000000 0.8230453 0.0000000 3.7879858 0.0000000 0.7775411 0.0000000 4.0662901 29 Er 5.2998196 0.0000000 0.7090556 0.0000000 3.6450671 0.0000000 0.5720569 0.0000000 4.2365831 30 Er 5.2998196 0.0000000 0.7090556 0.0000000 3.6450671 0.0000000 0.5720569 0.0000000 4.2365831 31 Er 5.2998196 0.0000000 -0.7090556 0.0000000 3.6450671 0.0000000 -0.5720569 0.0000000 4.2365831 32 Er 5.2998196 0.0000000 -0.7090556 0.0000000 3.6450671 0.0000000 -0.5720569 0.0000000 4.2365831 33 Er 2.8236515 0.0000000 0.8645874 0.0000000 4.4313758 0.0000000 0.6681337 0.0000000 3.7580616 34 Er 2.8236515 0.0000000 0.8645874 0.0000000 4.4313758 0.0000000 0.6681337 0.0000000 3.7580616 35 Er 2.8236515 0.0000000 -0.8645874 0.0000000 4.4313758 0.0000000 -0.6681337 0.0000000 3.7580616 36 Er 2.8236515 0.0000000 -0.8645874 0.0000000 4.4313758 0.0000000 -0.6681337 0.0000000 3.7580616----------------------------------------------------------------------------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: 324/324Permutation basis: 17766/17766Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 2376Number of blocks in projector: 2376Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 648Use submatrix version of eigh solver.(1) Block: 500 / 648 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found.(1) 482 eigenvectors found.(1) Block: 648 / 648(1) 133 eigenvectors found.(1) Complementary block size: 33(1) Compute compressed projector.(1) Use standard solver.(1) 15 eigenvectors found.--- Eigsh_solver_block: 2 / 6 ---Block_size: 360Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 360Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 360Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 324Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 324Use standard eigh solver.Tree of FC basis block matrices:- (2376, 2331), data: False|-- (324, 324), data: True|-- (324, 324), data: True|-- (360, 351), data: True|-- (360, 351), data: True|-- (360, 351), data: True|-- (648, 630), data: False |-- (648, 15), data: (648, 33) @ (33, 15) |-- (148, 133), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True-----Solver_atoms: 1 -- 108 / 108Time (Solver_compr_matrix_reshape): 0.002Solver_block: 100 / 560 - Time: 0.617Solver_block: 200 / 560 - Time: 0.528Solver_block: 300 / 560 - Time: 0.519Solver_block: 400 / 560 - Time: 0.520Solver_block: 500 / 560 - Time: 0.521Solver_block: 560 / 560 - Time: 0.373Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.165--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 324/324Permutation basis: 17766/17766Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 2376Number of blocks in projector: 2376Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 648Use submatrix version of eigh solver.(1) Block: 500 / 648 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found.(1) 482 eigenvectors found.(1) Block: 648 / 648(1) 133 eigenvectors found.(1) Complementary block size: 33(1) Compute compressed projector.(1) Use standard solver.(1) 15 eigenvectors found.--- Eigsh_solver_block: 2 / 6 ---Block_size: 360Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 360Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 360Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 324Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 324Use standard eigh solver.Tree of FC basis block matrices:- (2376, 2331), data: False|-- (324, 324), data: True|-- (324, 324), data: True|-- (360, 351), data: True|-- (360, 351), data: True|-- (360, 351), data: True|-- (648, 630), data: False |-- (648, 15), data: (648, 33) @ (33, 15) |-- (148, 133), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: TrueMax drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 05:57:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 05:57:46]-------------------------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): [1 3 1]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pnma (62)------------------------------ primitive cell ------------------------------Lattice vectors: a 9.835390739999998 0.000000000000000 0.000000000000000 b 0.000000000000000 3.991132860000000 0.000000000000000 c 0.000000000000000 0.000000000000000 18.492672519999999Atomic positions (fractional): 1 F 0.18042489232006 0.25000000000000 0.80401230186137 18.998 2 F 0.81957510767994 0.75000000000000 0.19598769813863 18.998 3 F 0.68042489232006 0.25000000000000 0.69598769813863 18.998 4 F 0.31957510767994 0.75000000000000 0.30401230186137 18.998 5 F 0.84799569704032 0.25000000000000 0.12691215059257 18.998 6 F 0.15200430295967 0.75000000000000 0.87308784940743 18.998 7 F 0.34799569704033 0.25000000000000 0.37308784940743 18.998 8 F 0.65200430295968 0.75000000000000 0.62691215059257 18.998 9 F 0.01217421990703 0.25000000000000 0.03493133253995 18.998 10 F 0.98782578009297 0.75000000000000 0.96506866746005 18.998 11 F 0.51217421990703 0.25000000000000 0.46506866746005 18.998 12 F 0.48782578009297 0.75000000000000 0.53493133253995 18.998 13 Se 0.16579058702207 0.75000000000000 0.16070714839922 78.960 14 Se 0.83420941297794 0.25000000000000 0.83929285160078 78.960 15 Se 0.66579058702206 0.75000000000000 0.33929285160078 78.960 16 Se 0.33420941297793 0.25000000000000 0.66070714839922 78.960 17 Se 0.16546697950411 0.75000000000000 0.48554781478599 78.960 18 Se 0.83453302049589 0.25000000000000 0.51445218521401 78.960 19 Se 0.66546697950411 0.75000000000000 0.01445218521401 78.960 20 Se 0.33453302049589 0.25000000000000 0.98554781478599 78.960 21 Se 0.50107229385678 0.75000000000000 0.82136699033225 78.960 22 Se 0.49892770614322 0.25000000000000 0.17863300966775 78.960 23 Se 0.00107229385678 0.75000000000000 0.67863300966775 78.960 24 Se 0.99892770614322 0.25000000000000 0.32136699033225 78.960 25 Er 0.26032628713732 0.25000000000000 0.26123916517542 167.259 26 Er 0.73967371286268 0.75000000000000 0.73876083482458 167.259 27 Er 0.76032628713732 0.25000000000000 0.23876083482458 167.259 28 Er 0.23967371286268 0.75000000000000 0.76123916517542 167.259 29 Er 0.07488913937608 0.25000000000000 0.91920057046552 167.259 30 Er 0.92511086062392 0.75000000000000 0.08079942953448 167.259 31 Er 0.57488913937608 0.25000000000000 0.58079942953448 167.259 32 Er 0.42511086062392 0.75000000000000 0.41920057046552 167.259 33 Er 0.09055396350226 0.25000000000000 0.58354987999172 167.259 34 Er 0.90944603649775 0.75000000000000 0.41645012000828 167.259 35 Er 0.59055396350225 0.25000000000000 0.91645012000828 167.259 36 Er 0.40944603649775 0.75000000000000 0.08354987999172 167.259-------------------------------- supercell ---------------------------------Lattice vectors: a 9.835390739999998 0.000000000000000 0.000000000000000 b 0.000000000000000 11.973398580000000 0.000000000000000 c 0.000000000000000 0.000000000000000 18.492672519999999Atomic positions (fractional): 1 F 0.18042489232006 0.08333333333333 0.80401230186137 18.998 > 1 2 F 0.18042489232006 0.41666666666667 0.80401230186137 18.998 > 1 3 F 0.18042489232006 0.75000000000000 0.80401230186137 18.998 > 1 4 F 0.81957510767994 0.25000000000000 0.19598769813863 18.998 > 4 5 F 0.81957510767994 0.58333333333333 0.19598769813863 18.998 > 4 6 F 0.81957510767994 0.91666666666667 0.19598769813863 18.998 > 4 7 F 0.68042489232006 0.08333333333333 0.69598769813863 18.998 > 7 8 F 0.68042489232006 0.41666666666667 0.69598769813863 18.998 > 7 9 F 0.68042489232006 0.75000000000000 0.69598769813863 18.998 > 7 10 F 0.31957510767994 0.25000000000000 0.30401230186137 18.998 > 10 11 F 0.31957510767994 0.58333333333333 0.30401230186137 18.998 > 10 12 F 0.31957510767994 0.91666666666667 0.30401230186137 18.998 > 10 13 F 0.84799569704032 0.08333333333333 0.12691215059257 18.998 > 13 14 F 0.84799569704032 0.41666666666667 0.12691215059257 18.998 > 13 15 F 0.84799569704032 0.75000000000000 0.12691215059257 18.998 > 13 16 F 0.15200430295967 0.25000000000000 0.87308784940743 18.998 > 16 17 F 0.15200430295967 0.58333333333333 0.87308784940743 18.998 > 16 18 F 0.15200430295967 0.91666666666667 0.87308784940743 18.998 > 16 19 F 0.34799569704033 0.08333333333333 0.37308784940743 18.998 > 19 20 F 0.34799569704033 0.41666666666667 0.37308784940743 18.998 > 19 21 F 0.34799569704033 0.75000000000000 0.37308784940743 18.998 > 19 22 F 0.65200430295968 0.25000000000000 0.62691215059257 18.998 > 22 23 F 0.65200430295968 0.58333333333333 0.62691215059257 18.998 > 22 24 F 0.65200430295968 0.91666666666667 0.62691215059257 18.998 > 22 25 F 0.01217421990703 0.08333333333333 0.03493133253995 18.998 > 25 26 F 0.01217421990703 0.41666666666667 0.03493133253995 18.998 > 25 27 F 0.01217421990703 0.75000000000000 0.03493133253995 18.998 > 25 28 F 0.98782578009297 0.25000000000000 0.96506866746005 18.998 > 28 29 F 0.98782578009297 0.58333333333333 0.96506866746005 18.998 > 28 30 F 0.98782578009297 0.91666666666667 0.96506866746005 18.998 > 28 31 F 0.51217421990703 0.08333333333333 0.46506866746005 18.998 > 31 32 F 0.51217421990703 0.41666666666667 0.46506866746005 18.998 > 31 33 F 0.51217421990703 0.75000000000000 0.46506866746005 18.998 > 31 34 F 0.48782578009297 0.25000000000000 0.53493133253995 18.998 > 34 35 F 0.48782578009297 0.58333333333333 0.53493133253995 18.998 > 34 36 F 0.48782578009297 0.91666666666667 0.53493133253995 18.998 > 34 37 Se 0.16579058702207 0.25000000000000 0.16070714839922 78.960 > 37 38 Se 0.16579058702207 0.58333333333333 0.16070714839922 78.960 > 37 39 Se 0.16579058702207 0.91666666666667 0.16070714839922 78.960 > 37 40 Se 0.83420941297794 0.08333333333333 0.83929285160078 78.960 > 40 41 Se 0.83420941297794 0.41666666666667 0.83929285160078 78.960 > 40 42 Se 0.83420941297794 0.75000000000000 0.83929285160078 78.960 > 40 43 Se 0.66579058702206 0.25000000000000 0.33929285160078 78.960 > 43 44 Se 0.66579058702206 0.58333333333333 0.33929285160078 78.960 > 43 45 Se 0.66579058702206 0.91666666666667 0.33929285160078 78.960 > 43 46 Se 0.33420941297793 0.08333333333333 0.66070714839922 78.960 > 46 47 Se 0.33420941297793 0.41666666666667 0.66070714839922 78.960 > 46 48 Se 0.33420941297793 0.75000000000000 0.66070714839922 78.960 > 46 49 Se 0.16546697950411 0.25000000000000 0.48554781478599 78.960 > 49 50 Se 0.16546697950411 0.58333333333333 0.48554781478599 78.960 > 49 51 Se 0.16546697950411 0.91666666666667 0.48554781478599 78.960 > 49 52 Se 0.83453302049589 0.08333333333333 0.51445218521401 78.960 > 52 53 Se 0.83453302049589 0.41666666666667 0.51445218521401 78.960 > 52 54 Se 0.83453302049589 0.75000000000000 0.51445218521401 78.960 > 52 55 Se 0.66546697950411 0.25000000000000 0.01445218521401 78.960 > 55 56 Se 0.66546697950411 0.58333333333333 0.01445218521401 78.960 > 55 57 Se 0.66546697950411 0.91666666666667 0.01445218521401 78.960 > 55 58 Se 0.33453302049589 0.08333333333333 0.98554781478599 78.960 > 58 59 Se 0.33453302049589 0.41666666666667 0.98554781478599 78.960 > 58 60 Se 0.33453302049589 0.75000000000000 0.98554781478599 78.960 > 58 61 Se 0.50107229385678 0.25000000000000 0.82136699033225 78.960 > 61 62 Se 0.50107229385678 0.58333333333333 0.82136699033225 78.960 > 61 63 Se 0.50107229385678 0.91666666666667 0.82136699033225 78.960 > 61 64 Se 0.49892770614322 0.08333333333333 0.17863300966775 78.960 > 64 65 Se 0.49892770614322 0.41666666666667 0.17863300966775 78.960 > 64 66 Se 0.49892770614322 0.75000000000000 0.17863300966775 78.960 > 64 67 Se 0.00107229385678 0.25000000000000 0.67863300966775 78.960 > 67 68 Se 0.00107229385678 0.58333333333333 0.67863300966775 78.960 > 67 69 Se 0.00107229385678 0.91666666666667 0.67863300966775 78.960 > 67 70 Se 0.99892770614322 0.08333333333333 0.32136699033225 78.960 > 70 71 Se 0.99892770614322 0.41666666666667 0.32136699033225 78.960 > 70 72 Se 0.99892770614322 0.75000000000000 0.32136699033225 78.960 > 70 73 Er 0.26032628713732 0.08333333333333 0.26123916517542 167.259 > 73 74 Er 0.26032628713732 0.41666666666667 0.26123916517542 167.259 > 73 75 Er 0.26032628713732 0.75000000000000 0.26123916517542 167.259 > 73 76 Er 0.73967371286268 0.25000000000000 0.73876083482458 167.259 > 76 77 Er 0.73967371286268 0.58333333333333 0.73876083482458 167.259 > 76 78 Er 0.73967371286268 0.91666666666667 0.73876083482458 167.259 > 76 79 Er 0.76032628713732 0.08333333333333 0.23876083482458 167.259 > 79 80 Er 0.76032628713732 0.41666666666667 0.23876083482458 167.259 > 79 81 Er 0.76032628713732 0.75000000000000 0.23876083482458 167.259 > 79 82 Er 0.23967371286268 0.25000000000000 0.76123916517542 167.259 > 82 83 Er 0.23967371286268 0.58333333333333 0.76123916517542 167.259 > 82 84 Er 0.23967371286268 0.91666666666667 0.76123916517542 167.259 > 82 85 Er 0.07488913937608 0.08333333333333 0.91920057046552 167.259 > 85 86 Er 0.07488913937608 0.41666666666667 0.91920057046552 167.259 > 85 87 Er 0.07488913937608 0.75000000000000 0.91920057046552 167.259 > 85 88 Er 0.92511086062392 0.25000000000000 0.08079942953448 167.259 > 88 89 Er 0.92511086062392 0.58333333333333 0.08079942953448 167.259 > 88 90 Er 0.92511086062392 0.91666666666667 0.08079942953448 167.259 > 88 91 Er 0.57488913937608 0.08333333333333 0.58079942953448 167.259 > 91 92 Er 0.57488913937608 0.41666666666667 0.58079942953448 167.259 > 91 93 Er 0.57488913937608 0.75000000000000 0.58079942953448 167.259 > 91 94 Er 0.42511086062392 0.25000000000000 0.41920057046552 167.259 > 94 95 Er 0.42511086062392 0.58333333333333 0.41920057046552 167.259 > 94 96 Er 0.42511086062392 0.91666666666667 0.41920057046552 167.259 > 94 97 Er 0.09055396350226 0.08333333333333 0.58354987999172 167.259 > 97 98 Er 0.09055396350226 0.41666666666667 0.58354987999172 167.259 > 97 99 Er 0.09055396350226 0.75000000000000 0.58354987999172 167.259 > 97 100 Er 0.90944603649775 0.25000000000000 0.41645012000828 167.259 > 100 101 Er 0.90944603649775 0.58333333333333 0.41645012000828 167.259 > 100 102 Er 0.90944603649775 0.91666666666667 0.41645012000828 167.259 > 100 103 Er 0.59055396350225 0.08333333333333 0.91645012000828 167.259 > 103 104 Er 0.59055396350225 0.41666666666667 0.91645012000828 167.259 > 103 105 Er 0.59055396350225 0.75000000000000 0.91645012000828 167.259 > 103 106 Er 0.40944603649775 0.25000000000000 0.08354987999172 167.259 > 106 107 Er 0.40944603649775 0.58333333333333 0.08354987999172 167.259 > 106 108 Er 0.40944603649775 0.91666666666667 0.08354987999172 167.259 > 106----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 5.9914383 0.0000000 0.0000000 0.0000000 5.7727068 0.0000000 0.0000000 0.0000000 5.5566474-------------------------- Born effective charges -------------------------- 1 F -1.2605551 0.0000000 0.3632576 0.0000000 -1.9767101 0.0000000 0.4084221 0.0000000 -1.8474441 2 F -1.2605551 0.0000000 0.3632576 0.0000000 -1.9767101 0.0000000 0.4084221 0.0000000 -1.8474441 3 F -1.2605551 0.0000000 -0.3632576 0.0000000 -1.9767101 0.0000000 -0.4084221 0.0000000 -1.8474441 4 F -1.2605551 0.0000000 -0.3632576 0.0000000 -1.9767101 0.0000000 -0.4084221 0.0000000 -1.8474441 5 F -1.3493474 0.0000000 0.2552882 0.0000000 -1.6456759 0.0000000 0.2921283 0.0000000 -1.7938788 6 F -1.3493474 0.0000000 0.2552882 0.0000000 -1.6456759 0.0000000 0.2921283 0.0000000 -1.7938788 7 F -1.3493474 0.0000000 -0.2552882 0.0000000 -1.6456759 0.0000000 -0.2921283 0.0000000 -1.7938788 8 F -1.3493474 0.0000000 -0.2552882 0.0000000 -1.6456759 0.0000000 -0.2921283 0.0000000 -1.7938788 9 F -1.3439608 0.0000000 0.2775192 0.0000000 -1.5729535 0.0000000 0.2507871 0.0000000 -1.6364348 10 F -1.3439608 0.0000000 0.2775192 0.0000000 -1.5729535 0.0000000 0.2507871 0.0000000 -1.6364348 11 F -1.3439608 0.0000000 -0.2775192 0.0000000 -1.5729535 0.0000000 -0.2507871 0.0000000 -1.6364348 12 F -1.3439608 0.0000000 -0.2775192 0.0000000 -1.5729535 0.0000000 -0.2507871 0.0000000 -1.6364348 13 Se -2.7872069 0.0000000 0.0269932 0.0000000 -1.7680134 0.0000000 -0.0783058 0.0000000 -2.0811161 14 Se -2.7872069 0.0000000 0.0269932 0.0000000 -1.7680134 0.0000000 -0.0783058 0.0000000 -2.0811161 15 Se -2.7872069 0.0000000 -0.0269932 0.0000000 -1.7680134 0.0000000 0.0783058 0.0000000 -2.0811161 16 Se -2.7872069 0.0000000 -0.0269932 0.0000000 -1.7680134 0.0000000 0.0783058 0.0000000 -2.0811161 17 Se -2.6119464 0.0000000 0.1923377 0.0000000 -2.4742163 0.0000000 0.2118586 0.0000000 -2.3242338 18 Se -2.6119464 0.0000000 0.1923377 0.0000000 -2.4742163 0.0000000 0.2118586 0.0000000 -2.3242338 19 Se -2.6119464 0.0000000 -0.1923377 0.0000000 -2.4742163 0.0000000 -0.2118586 0.0000000 -2.3242338 20 Se -2.6119464 0.0000000 -0.1923377 0.0000000 -2.4742163 0.0000000 -0.2118586 0.0000000 -2.3242338 21 Se -2.7551017 0.0000000 -0.2438998 0.0000000 -2.4268594 0.0000000 -0.5701799 0.0000000 -2.3778272 22 Se -2.7551017 0.0000000 -0.2438998 0.0000000 -2.4268594 0.0000000 -0.5701799 0.0000000 -2.3778272 23 Se -2.7551017 0.0000000 0.2438998 0.0000000 -2.4268594 0.0000000 0.5701799 0.0000000 -2.3778272 24 Se -2.7551017 0.0000000 0.2438998 0.0000000 -2.4268594 0.0000000 0.5701799 0.0000000 -2.3778272 25 Er 3.9846472 0.0000000 -0.8230453 0.0000000 3.7879858 0.0000000 -0.7775411 0.0000000 4.0662901 26 Er 3.9846472 0.0000000 -0.8230453 0.0000000 3.7879858 0.0000000 -0.7775411 0.0000000 4.0662901 27 Er 3.9846472 0.0000000 0.8230453 0.0000000 3.7879858 0.0000000 0.7775411 0.0000000 4.0662901 28 Er 3.9846472 0.0000000 0.8230453 0.0000000 3.7879858 0.0000000 0.7775411 0.0000000 4.0662901 29 Er 5.2998196 0.0000000 0.7090556 0.0000000 3.6450671 0.0000000 0.5720569 0.0000000 4.2365831 30 Er 5.2998196 0.0000000 0.7090556 0.0000000 3.6450671 0.0000000 0.5720569 0.0000000 4.2365831 31 Er 5.2998196 0.0000000 -0.7090556 0.0000000 3.6450671 0.0000000 -0.5720569 0.0000000 4.2365831 32 Er 5.2998196 0.0000000 -0.7090556 0.0000000 3.6450671 0.0000000 -0.5720569 0.0000000 4.2365831 33 Er 2.8236515 0.0000000 0.8645874 0.0000000 4.4313758 0.0000000 0.6681337 0.0000000 3.7580616 34 Er 2.8236515 0.0000000 0.8645874 0.0000000 4.4313758 0.0000000 0.6681337 0.0000000 3.7580616 35 Er 2.8236515 0.0000000 -0.8645874 0.0000000 4.4313758 0.0000000 -0.6681337 0.0000000 3.7580616 36 Er 2.8236515 0.0000000 -0.8645874 0.0000000 4.4313758 0.0000000 -0.6681337 0.0000000 3.7580616----------------------------------------------------------------------------Sets of supercell forces were read from "FORCES_FC3.xz".Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".----------------------------- Force constants ------------------------------Computing fc3[ 1, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 13, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 25, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 37, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 49, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 61, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 73, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 85, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 97, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz)fc3 was written into "fc3.hdf5".Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) 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 2026-01-08 05:58:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 05:58:16]-------------------------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): [1 3 1]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pnma (62)------------------------------ primitive cell ------------------------------Lattice vectors: a 9.835390739999998 0.000000000000000 0.000000000000000 b 0.000000000000000 3.991132860000000 0.000000000000000 c 0.000000000000000 0.000000000000000 18.492672519999999Atomic positions (fractional): 1 F 0.18042489232006 0.25000000000000 0.80401230186137 18.998 2 F 0.81957510767994 0.75000000000000 0.19598769813863 18.998 3 F 0.68042489232006 0.25000000000000 0.69598769813863 18.998 4 F 0.31957510767994 0.75000000000000 0.30401230186137 18.998 5 F 0.84799569704032 0.25000000000000 0.12691215059257 18.998 6 F 0.15200430295967 0.75000000000000 0.87308784940743 18.998 7 F 0.34799569704033 0.25000000000000 0.37308784940743 18.998 8 F 0.65200430295968 0.75000000000000 0.62691215059257 18.998 9 F 0.01217421990703 0.25000000000000 0.03493133253995 18.998 10 F 0.98782578009297 0.75000000000000 0.96506866746005 18.998 11 F 0.51217421990703 0.25000000000000 0.46506866746005 18.998 12 F 0.48782578009297 0.75000000000000 0.53493133253995 18.998 13 Se 0.16579058702207 0.75000000000000 0.16070714839922 78.960 14 Se 0.83420941297794 0.25000000000000 0.83929285160078 78.960 15 Se 0.66579058702206 0.75000000000000 0.33929285160078 78.960 16 Se 0.33420941297793 0.25000000000000 0.66070714839922 78.960 17 Se 0.16546697950411 0.75000000000000 0.48554781478599 78.960 18 Se 0.83453302049589 0.25000000000000 0.51445218521401 78.960 19 Se 0.66546697950411 0.75000000000000 0.01445218521401 78.960 20 Se 0.33453302049589 0.25000000000000 0.98554781478599 78.960 21 Se 0.50107229385678 0.75000000000000 0.82136699033225 78.960 22 Se 0.49892770614322 0.25000000000000 0.17863300966775 78.960 23 Se 0.00107229385678 0.75000000000000 0.67863300966775 78.960 24 Se 0.99892770614322 0.25000000000000 0.32136699033225 78.960 25 Er 0.26032628713732 0.25000000000000 0.26123916517542 167.259 26 Er 0.73967371286268 0.75000000000000 0.73876083482458 167.259 27 Er 0.76032628713732 0.25000000000000 0.23876083482458 167.259 28 Er 0.23967371286268 0.75000000000000 0.76123916517542 167.259 29 Er 0.07488913937608 0.25000000000000 0.91920057046552 167.259 30 Er 0.92511086062392 0.75000000000000 0.08079942953448 167.259 31 Er 0.57488913937608 0.25000000000000 0.58079942953448 167.259 32 Er 0.42511086062392 0.75000000000000 0.41920057046552 167.259 33 Er 0.09055396350226 0.25000000000000 0.58354987999172 167.259 34 Er 0.90944603649775 0.75000000000000 0.41645012000828 167.259 35 Er 0.59055396350225 0.25000000000000 0.91645012000828 167.259 36 Er 0.40944603649775 0.75000000000000 0.08354987999172 167.259-------------------------------- supercell ---------------------------------Lattice vectors: a 9.835390739999998 0.000000000000000 0.000000000000000 b 0.000000000000000 11.973398580000000 0.000000000000000 c 0.000000000000000 0.000000000000000 18.492672519999999Atomic positions (fractional): 1 F 0.18042489232006 0.08333333333333 0.80401230186137 18.998 > 1 2 F 0.18042489232006 0.41666666666667 0.80401230186137 18.998 > 1 3 F 0.18042489232006 0.75000000000000 0.80401230186137 18.998 > 1 4 F 0.81957510767994 0.25000000000000 0.19598769813863 18.998 > 4 5 F 0.81957510767994 0.58333333333333 0.19598769813863 18.998 > 4 6 F 0.81957510767994 0.91666666666667 0.19598769813863 18.998 > 4 7 F 0.68042489232006 0.08333333333333 0.69598769813863 18.998 > 7 8 F 0.68042489232006 0.41666666666667 0.69598769813863 18.998 > 7 9 F 0.68042489232006 0.75000000000000 0.69598769813863 18.998 > 7 10 F 0.31957510767994 0.25000000000000 0.30401230186137 18.998 > 10 11 F 0.31957510767994 0.58333333333333 0.30401230186137 18.998 > 10 12 F 0.31957510767994 0.91666666666667 0.30401230186137 18.998 > 10 13 F 0.84799569704032 0.08333333333333 0.12691215059257 18.998 > 13 14 F 0.84799569704032 0.41666666666667 0.12691215059257 18.998 > 13 15 F 0.84799569704032 0.75000000000000 0.12691215059257 18.998 > 13 16 F 0.15200430295967 0.25000000000000 0.87308784940743 18.998 > 16 17 F 0.15200430295967 0.58333333333333 0.87308784940743 18.998 > 16 18 F 0.15200430295967 0.91666666666667 0.87308784940743 18.998 > 16 19 F 0.34799569704033 0.08333333333333 0.37308784940743 18.998 > 19 20 F 0.34799569704033 0.41666666666667 0.37308784940743 18.998 > 19 21 F 0.34799569704033 0.75000000000000 0.37308784940743 18.998 > 19 22 F 0.65200430295968 0.25000000000000 0.62691215059257 18.998 > 22 23 F 0.65200430295968 0.58333333333333 0.62691215059257 18.998 > 22 24 F 0.65200430295968 0.91666666666667 0.62691215059257 18.998 > 22 25 F 0.01217421990703 0.08333333333333 0.03493133253995 18.998 > 25 26 F 0.01217421990703 0.41666666666667 0.03493133253995 18.998 > 25 27 F 0.01217421990703 0.75000000000000 0.03493133253995 18.998 > 25 28 F 0.98782578009297 0.25000000000000 0.96506866746005 18.998 > 28 29 F 0.98782578009297 0.58333333333333 0.96506866746005 18.998 > 28 30 F 0.98782578009297 0.91666666666667 0.96506866746005 18.998 > 28 31 F 0.51217421990703 0.08333333333333 0.46506866746005 18.998 > 31 32 F 0.51217421990703 0.41666666666667 0.46506866746005 18.998 > 31 33 F 0.51217421990703 0.75000000000000 0.46506866746005 18.998 > 31 34 F 0.48782578009297 0.25000000000000 0.53493133253995 18.998 > 34 35 F 0.48782578009297 0.58333333333333 0.53493133253995 18.998 > 34 36 F 0.48782578009297 0.91666666666667 0.53493133253995 18.998 > 34 37 Se 0.16579058702207 0.25000000000000 0.16070714839922 78.960 > 37 38 Se 0.16579058702207 0.58333333333333 0.16070714839922 78.960 > 37 39 Se 0.16579058702207 0.91666666666667 0.16070714839922 78.960 > 37 40 Se 0.83420941297794 0.08333333333333 0.83929285160078 78.960 > 40 41 Se 0.83420941297794 0.41666666666667 0.83929285160078 78.960 > 40 42 Se 0.83420941297794 0.75000000000000 0.83929285160078 78.960 > 40 43 Se 0.66579058702206 0.25000000000000 0.33929285160078 78.960 > 43 44 Se 0.66579058702206 0.58333333333333 0.33929285160078 78.960 > 43 45 Se 0.66579058702206 0.91666666666667 0.33929285160078 78.960 > 43 46 Se 0.33420941297793 0.08333333333333 0.66070714839922 78.960 > 46 47 Se 0.33420941297793 0.41666666666667 0.66070714839922 78.960 > 46 48 Se 0.33420941297793 0.75000000000000 0.66070714839922 78.960 > 46 49 Se 0.16546697950411 0.25000000000000 0.48554781478599 78.960 > 49 50 Se 0.16546697950411 0.58333333333333 0.48554781478599 78.960 > 49 51 Se 0.16546697950411 0.91666666666667 0.48554781478599 78.960 > 49 52 Se 0.83453302049589 0.08333333333333 0.51445218521401 78.960 > 52 53 Se 0.83453302049589 0.41666666666667 0.51445218521401 78.960 > 52 54 Se 0.83453302049589 0.75000000000000 0.51445218521401 78.960 > 52 55 Se 0.66546697950411 0.25000000000000 0.01445218521401 78.960 > 55 56 Se 0.66546697950411 0.58333333333333 0.01445218521401 78.960 > 55 57 Se 0.66546697950411 0.91666666666667 0.01445218521401 78.960 > 55 58 Se 0.33453302049589 0.08333333333333 0.98554781478599 78.960 > 58 59 Se 0.33453302049589 0.41666666666667 0.98554781478599 78.960 > 58 60 Se 0.33453302049589 0.75000000000000 0.98554781478599 78.960 > 58 61 Se 0.50107229385678 0.25000000000000 0.82136699033225 78.960 > 61 62 Se 0.50107229385678 0.58333333333333 0.82136699033225 78.960 > 61 63 Se 0.50107229385678 0.91666666666667 0.82136699033225 78.960 > 61 64 Se 0.49892770614322 0.08333333333333 0.17863300966775 78.960 > 64 65 Se 0.49892770614322 0.41666666666667 0.17863300966775 78.960 > 64 66 Se 0.49892770614322 0.75000000000000 0.17863300966775 78.960 > 64 67 Se 0.00107229385678 0.25000000000000 0.67863300966775 78.960 > 67 68 Se 0.00107229385678 0.58333333333333 0.67863300966775 78.960 > 67 69 Se 0.00107229385678 0.91666666666667 0.67863300966775 78.960 > 67 70 Se 0.99892770614322 0.08333333333333 0.32136699033225 78.960 > 70 71 Se 0.99892770614322 0.41666666666667 0.32136699033225 78.960 > 70 72 Se 0.99892770614322 0.75000000000000 0.32136699033225 78.960 > 70 73 Er 0.26032628713732 0.08333333333333 0.26123916517542 167.259 > 73 74 Er 0.26032628713732 0.41666666666667 0.26123916517542 167.259 > 73 75 Er 0.26032628713732 0.75000000000000 0.26123916517542 167.259 > 73 76 Er 0.73967371286268 0.25000000000000 0.73876083482458 167.259 > 76 77 Er 0.73967371286268 0.58333333333333 0.73876083482458 167.259 > 76 78 Er 0.73967371286268 0.91666666666667 0.73876083482458 167.259 > 76 79 Er 0.76032628713732 0.08333333333333 0.23876083482458 167.259 > 79 80 Er 0.76032628713732 0.41666666666667 0.23876083482458 167.259 > 79 81 Er 0.76032628713732 0.75000000000000 0.23876083482458 167.259 > 79 82 Er 0.23967371286268 0.25000000000000 0.76123916517542 167.259 > 82 83 Er 0.23967371286268 0.58333333333333 0.76123916517542 167.259 > 82 84 Er 0.23967371286268 0.91666666666667 0.76123916517542 167.259 > 82 85 Er 0.07488913937608 0.08333333333333 0.91920057046552 167.259 > 85 86 Er 0.07488913937608 0.41666666666667 0.91920057046552 167.259 > 85 87 Er 0.07488913937608 0.75000000000000 0.91920057046552 167.259 > 85 88 Er 0.92511086062392 0.25000000000000 0.08079942953448 167.259 > 88 89 Er 0.92511086062392 0.58333333333333 0.08079942953448 167.259 > 88 90 Er 0.92511086062392 0.91666666666667 0.08079942953448 167.259 > 88 91 Er 0.57488913937608 0.08333333333333 0.58079942953448 167.259 > 91 92 Er 0.57488913937608 0.41666666666667 0.58079942953448 167.259 > 91 93 Er 0.57488913937608 0.75000000000000 0.58079942953448 167.259 > 91 94 Er 0.42511086062392 0.25000000000000 0.41920057046552 167.259 > 94 95 Er 0.42511086062392 0.58333333333333 0.41920057046552 167.259 > 94 96 Er 0.42511086062392 0.91666666666667 0.41920057046552 167.259 > 94 97 Er 0.09055396350226 0.08333333333333 0.58354987999172 167.259 > 97 98 Er 0.09055396350226 0.41666666666667 0.58354987999172 167.259 > 97 99 Er 0.09055396350226 0.75000000000000 0.58354987999172 167.259 > 97 100 Er 0.90944603649775 0.25000000000000 0.41645012000828 167.259 > 100 101 Er 0.90944603649775 0.58333333333333 0.41645012000828 167.259 > 100 102 Er 0.90944603649775 0.91666666666667 0.41645012000828 167.259 > 100 103 Er 0.59055396350225 0.08333333333333 0.91645012000828 167.259 > 103 104 Er 0.59055396350225 0.41666666666667 0.91645012000828 167.259 > 103 105 Er 0.59055396350225 0.75000000000000 0.91645012000828 167.259 > 103 106 Er 0.40944603649775 0.25000000000000 0.08354987999172 167.259 > 106 107 Er 0.40944603649775 0.58333333333333 0.08354987999172 167.259 > 106 108 Er 0.40944603649775 0.91666666666667 0.08354987999172 167.259 > 106----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 5.9914383 0.0000000 0.0000000 0.0000000 5.7727068 0.0000000 0.0000000 0.0000000 5.5566474-------------------------- Born effective charges -------------------------- 1 F -1.2605551 0.0000000 0.3632576 0.0000000 -1.9767101 0.0000000 0.4084221 0.0000000 -1.8474441 2 F -1.2605551 0.0000000 0.3632576 0.0000000 -1.9767101 0.0000000 0.4084221 0.0000000 -1.8474441 3 F -1.2605551 0.0000000 -0.3632576 0.0000000 -1.9767101 0.0000000 -0.4084221 0.0000000 -1.8474441 4 F -1.2605551 0.0000000 -0.3632576 0.0000000 -1.9767101 0.0000000 -0.4084221 0.0000000 -1.8474441 5 F -1.3493474 0.0000000 0.2552882 0.0000000 -1.6456759 0.0000000 0.2921283 0.0000000 -1.7938788 6 F -1.3493474 0.0000000 0.2552882 0.0000000 -1.6456759 0.0000000 0.2921283 0.0000000 -1.7938788 7 F -1.3493474 0.0000000 -0.2552882 0.0000000 -1.6456759 0.0000000 -0.2921283 0.0000000 -1.7938788 8 F -1.3493474 0.0000000 -0.2552882 0.0000000 -1.6456759 0.0000000 -0.2921283 0.0000000 -1.7938788 9 F -1.3439608 0.0000000 0.2775192 0.0000000 -1.5729535 0.0000000 0.2507871 0.0000000 -1.6364348 10 F -1.3439608 0.0000000 0.2775192 0.0000000 -1.5729535 0.0000000 0.2507871 0.0000000 -1.6364348 11 F -1.3439608 0.0000000 -0.2775192 0.0000000 -1.5729535 0.0000000 -0.2507871 0.0000000 -1.6364348 12 F -1.3439608 0.0000000 -0.2775192 0.0000000 -1.5729535 0.0000000 -0.2507871 0.0000000 -1.6364348 13 Se -2.7872069 0.0000000 0.0269932 0.0000000 -1.7680134 0.0000000 -0.0783058 0.0000000 -2.0811161 14 Se -2.7872069 0.0000000 0.0269932 0.0000000 -1.7680134 0.0000000 -0.0783058 0.0000000 -2.0811161 15 Se -2.7872069 0.0000000 -0.0269932 0.0000000 -1.7680134 0.0000000 0.0783058 0.0000000 -2.0811161 16 Se -2.7872069 0.0000000 -0.0269932 0.0000000 -1.7680134 0.0000000 0.0783058 0.0000000 -2.0811161 17 Se -2.6119464 0.0000000 0.1923377 0.0000000 -2.4742163 0.0000000 0.2118586 0.0000000 -2.3242338 18 Se -2.6119464 0.0000000 0.1923377 0.0000000 -2.4742163 0.0000000 0.2118586 0.0000000 -2.3242338 19 Se -2.6119464 0.0000000 -0.1923377 0.0000000 -2.4742163 0.0000000 -0.2118586 0.0000000 -2.3242338 20 Se -2.6119464 0.0000000 -0.1923377 0.0000000 -2.4742163 0.0000000 -0.2118586 0.0000000 -2.3242338 21 Se -2.7551017 0.0000000 -0.2438998 0.0000000 -2.4268594 0.0000000 -0.5701799 0.0000000 -2.3778272 22 Se -2.7551017 0.0000000 -0.2438998 0.0000000 -2.4268594 0.0000000 -0.5701799 0.0000000 -2.3778272 23 Se -2.7551017 0.0000000 0.2438998 0.0000000 -2.4268594 0.0000000 0.5701799 0.0000000 -2.3778272 24 Se -2.7551017 0.0000000 0.2438998 0.0000000 -2.4268594 0.0000000 0.5701799 0.0000000 -2.3778272 25 Er 3.9846472 0.0000000 -0.8230453 0.0000000 3.7879858 0.0000000 -0.7775411 0.0000000 4.0662901 26 Er 3.9846472 0.0000000 -0.8230453 0.0000000 3.7879858 0.0000000 -0.7775411 0.0000000 4.0662901 27 Er 3.9846472 0.0000000 0.8230453 0.0000000 3.7879858 0.0000000 0.7775411 0.0000000 4.0662901 28 Er 3.9846472 0.0000000 0.8230453 0.0000000 3.7879858 0.0000000 0.7775411 0.0000000 4.0662901 29 Er 5.2998196 0.0000000 0.7090556 0.0000000 3.6450671 0.0000000 0.5720569 0.0000000 4.2365831 30 Er 5.2998196 0.0000000 0.7090556 0.0000000 3.6450671 0.0000000 0.5720569 0.0000000 4.2365831 31 Er 5.2998196 0.0000000 -0.7090556 0.0000000 3.6450671 0.0000000 -0.5720569 0.0000000 4.2365831 32 Er 5.2998196 0.0000000 -0.7090556 0.0000000 3.6450671 0.0000000 -0.5720569 0.0000000 4.2365831 33 Er 2.8236515 0.0000000 0.8645874 0.0000000 4.4313758 0.0000000 0.6681337 0.0000000 3.7580616 34 Er 2.8236515 0.0000000 0.8645874 0.0000000 4.4313758 0.0000000 0.6681337 0.0000000 3.7580616 35 Er 2.8236515 0.0000000 -0.8645874 0.0000000 4.4313758 0.0000000 -0.6681337 0.0000000 3.7580616 36 Er 2.8236515 0.0000000 -0.8645874 0.0000000 4.4313758 0.0000000 -0.6681337 0.0000000 3.7580616----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz)Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- 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 ... [ 5 13 3 ]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: 0.46, Number of G-points: 295, Lambda: 0.12Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/42) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 42Calculating 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 0.967 ( 0.000 0.000 0.000) 0.000 1.119 ( 0.000 0.000 0.000) 0.000 1.122 ( 0.000 0.000 0.000) 0.000 1.170 ( 0.000 0.000 0.000) 0.000 1.237 ( 0.000 0.000 0.000) 0.000 1.240 ( 0.000 0.000 0.000) 0.000 1.247 ( 0.000 0.000 0.000) 0.000 1.281 ( 0.000 0.000 0.000) 0.000 1.450 ( 0.000 0.000 0.000) 0.000 1.517 ( 0.000 0.000 0.000) 0.000 1.637 ( 0.000 0.000 0.000) 0.000 1.671 ( 0.000 0.000 0.000) 0.000 1.816 ( 0.000 0.000 0.000) 0.000 1.887 ( 0.000 0.000 0.000) 0.000 1.920 ( 0.000 0.000 0.000) 0.000 2.013 ( 0.000 0.000 0.000) 0.000 2.052 ( 0.000 0.000 0.000) 0.000 2.071 ( 0.000 0.000 0.000) 0.000 2.108 ( 0.000 0.000 0.000) 0.000 2.206 ( 0.000 0.000 0.000) 0.000 2.317 ( 0.000 0.000 0.000) 0.000 2.380 ( 0.000 0.000 0.000) 0.000 2.414 ( 0.000 0.000 0.000) 0.000 2.419 ( 0.000 0.000 0.000) 0.000 2.593 ( 0.000 0.000 0.000) 0.000 3.002 ( 0.000 0.000 0.000) 0.000 3.136 ( 0.000 0.000 0.000) 0.000 3.167 ( 0.000 0.000 0.000) 0.000 3.173 ( 0.000 0.000 0.000) 0.000 3.394 ( 0.000 0.000 0.000) 0.000 3.515 ( 0.000 0.000 0.000) 0.000 3.524 ( 0.000 0.000 0.000) 0.000 3.559 ( 0.000 0.000 0.000) 0.000 3.571 ( 0.000 0.000 0.000) 0.000 3.661 ( 0.000 0.000 0.000) 0.000 3.759 ( 0.000 0.000 0.000) 0.000 3.765 ( 0.000 0.000 0.000) 0.000 3.789 ( 0.000 0.000 0.000) 0.000 3.791 ( 0.000 0.000 0.000) 0.000 3.828 ( 0.000 0.000 0.000) 0.000 3.945 ( 0.000 0.000 0.000) 0.000 3.973 ( 0.000 0.000 0.000) 0.000 4.003 ( 0.000 0.000 0.000) 0.000 4.022 ( 0.000 0.000 0.000) 0.000 4.050 ( 0.000 0.000 0.000) 0.000 4.050 ( 0.000 0.000 0.000) 0.000 4.069 ( 0.000 0.000 0.000) 0.000 4.096 ( 0.000 0.000 0.000) 0.000 4.281 ( 0.000 0.000 0.000) 0.000 4.283 ( 0.000 0.000 0.000) 0.000 4.324 ( 0.000 0.000 0.000) 0.000 4.331 ( 0.000 0.000 0.000) 0.000 4.341 ( 0.000 0.000 0.000) 0.000 4.527 ( 0.000 0.000 0.000) 0.000 4.543 ( 0.000 0.000 0.000) 0.000 4.649 ( 0.000 0.000 0.000) 0.000 4.680 ( 0.000 0.000 0.000) 0.000 4.708 ( 0.000 0.000 0.000) 0.000 4.751 ( 0.000 0.000 0.000) 0.000 4.773 ( 0.000 0.000 0.000) 0.000 4.899 ( 0.000 0.000 0.000) 0.000 4.958 ( 0.000 0.000 0.000) 0.000 5.007 ( 0.000 0.000 0.000) 0.000 5.285 ( 0.000 0.000 0.000) 0.000 5.393 ( 0.000 0.000 0.000) 0.000 5.395 ( 0.000 0.000 0.000) 0.000 5.403 ( 0.000 0.000 0.000) 0.000 5.472 ( 0.000 0.000 0.000) 0.000 5.488 ( 0.000 0.000 0.000) 0.000 5.559 ( 0.000 0.000 0.000) 0.000 5.708 ( 0.000 0.000 0.000) 0.000 5.776 ( 0.000 0.000 0.000) 0.000 5.909 ( 0.000 0.000 0.000) 0.000 5.938 ( 0.000 0.000 0.000) 0.000 5.953 ( 0.000 0.000 0.000) 0.000 5.960 ( 0.000 0.000 0.000) 0.000 6.095 ( 0.000 0.000 0.000) 0.000 6.167 ( 0.000 0.000 0.000) 0.000 6.188 ( 0.000 0.000 0.000) 0.000 6.323 ( 0.000 0.000 0.000) 0.000 6.496 ( 0.000 0.000 0.000) 0.000 6.808 ( 0.000 0.000 0.000) 0.000 6.971 ( 0.000 0.000 0.000) 0.000 8.139 ( 0.000 0.000 0.000) 0.000 8.142 ( 0.000 0.000 0.000) 0.000 8.176 ( 0.000 0.000 0.000) 0.000 8.178 ( 0.000 0.000 0.000) 0.000 8.351 ( 0.000 0.000 0.000) 0.000 9.169 ( 0.000 0.000 0.000) 0.000 9.867 ( 0.000 0.000 0.000) 0.000 10.106 ( 0.000 0.000 0.000) 0.000 10.191 ( 0.000 0.000 0.000) 0.000 10.687 ( 0.000 0.000 0.000) 0.000 10.705 ( 0.000 0.000 0.000) 0.000 10.751 ( 0.000 0.000 0.000) 0.000 12.774 ( 0.000 0.000 0.000) 0.000 12.778 ( 0.000 0.000 0.000) 0.000 14.098 ( 0.000 0.000 0.000) 0.000 14.101 ( 0.000 0.000 0.000) 0.000 14.103 ( 0.000 0.000 0.000) 0.000 14.109 ( 0.000 0.000 0.000) 0.000 14.117 ( 0.000 0.000 0.000) 0.000 14.208 ( 0.000 0.000 0.000) 0.000 14.225 ( 0.000 0.000 0.000) 0.000 14.333 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/42) =======================q-point: ( 0.20 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 42Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.280 ( 13.417 0.000 0.000) 13.417 0.370 ( 16.190 0.000 0.000) 16.190 0.822 ( 36.234 0.000 0.000) 36.234 0.910 ( -5.431 0.000 0.000) 5.431 0.978 ( -6.444 0.000 0.000) 6.444 1.083 ( -3.934 0.000 0.000) 3.934 1.131 ( 0.967 0.000 0.000) 0.967 1.227 ( -1.126 0.000 0.000) 1.126 1.245 ( 0.639 0.000 0.000) 0.639 1.283 ( 0.028 0.000 0.000) 0.028 1.302 ( -0.380 0.000 0.000) 0.380 1.365 ( -6.612 0.000 0.000) 6.612 1.613 ( -14.190 0.000 0.000) 14.190 1.641 ( 0.365 0.000 0.000) 0.365 1.668 ( -0.257 0.000 0.000) 0.257 1.669 ( 11.025 0.000 0.000) 11.025 1.933 ( 6.649 0.000 0.000) 6.649 2.022 ( 9.043 0.000 0.000) 9.043 2.087 ( 3.595 0.000 0.000) 3.595 2.120 ( 3.204 0.000 0.000) 3.204 2.120 ( 1.085 0.000 0.000) 1.085 2.199 ( -0.713 0.000 0.000) 0.713 2.233 ( 3.823 0.000 0.000) 3.823 2.307 ( 10.368 0.000 0.000) 10.368 2.382 ( 0.257 0.000 0.000) 0.257 2.410 ( -0.355 0.000 0.000) 0.355 2.426 ( 0.769 0.000 0.000) 0.769 2.798 ( 15.245 0.000 0.000) 15.245 2.917 ( -9.383 0.000 0.000) 9.383 3.120 ( -0.951 0.000 0.000) 0.951 3.125 ( -3.175 0.000 0.000) 3.175 3.216 ( 4.781 0.000 0.000) 4.781 3.320 ( -6.942 0.000 0.000) 6.942 3.518 ( 0.308 0.000 0.000) 0.308 3.525 ( 0.102 0.000 0.000) 0.102 3.558 ( -0.082 0.000 0.000) 0.082 3.568 ( -0.264 0.000 0.000) 0.264 3.595 ( -7.023 0.000 0.000) 7.023 3.672 ( -8.188 0.000 0.000) 8.188 3.767 ( 0.149 0.000 0.000) 0.149 3.788 ( -0.297 0.000 0.000) 0.297 3.794 ( 0.420 0.000 0.000) 0.420 3.825 ( -0.296 0.000 0.000) 0.296 3.898 ( -5.322 0.000 0.000) 5.322 3.976 ( 0.248 0.000 0.000) 0.248 3.996 ( -1.653 0.000 0.000) 1.653 4.000 ( -0.303 0.000 0.000) 0.303 4.052 ( 0.181 0.000 0.000) 0.181 4.067 ( -0.156 0.000 0.000) 0.156 4.069 ( -1.200 0.000 0.000) 1.200 4.069 ( -0.666 0.000 0.000) 0.666 4.205 ( -0.702 0.000 0.000) 0.702 4.282 ( -0.139 0.000 0.000) 0.139 4.321 ( -2.611 0.000 0.000) 2.611 4.367 ( 1.952 0.000 0.000) 1.952 4.375 ( 0.400 0.000 0.000) 0.400 4.490 ( -2.896 0.000 0.000) 2.896 4.581 ( -4.388 0.000 0.000) 4.388 4.650 ( -0.734 0.000 0.000) 0.734 4.679 ( -5.198 0.000 0.000) 5.198 4.744 ( 1.615 0.000 0.000) 1.615 4.826 ( 4.770 0.000 0.000) 4.770 4.916 ( 1.238 0.000 0.000) 1.238 4.933 ( -0.663 0.000 0.000) 0.663 5.059 ( 3.530 0.000 0.000) 3.530 5.292 ( 10.182 0.000 0.000) 10.182 5.341 ( 5.413 0.000 0.000) 5.413 5.394 ( 0.084 0.000 0.000) 0.084 5.402 ( -0.090 0.000 0.000) 0.090 5.407 ( 0.906 0.000 0.000) 0.906 5.490 ( -0.292 0.000 0.000) 0.292 5.499 ( 3.572 0.000 0.000) 3.572 5.643 ( -4.012 0.000 0.000) 4.012 5.745 ( -2.640 0.000 0.000) 2.640 5.776 ( -4.811 0.000 0.000) 4.811 5.871 ( -5.112 0.000 0.000) 5.112 5.944 ( 0.245 0.000 0.000) 0.245 5.953 ( -0.038 0.000 0.000) 0.038 6.126 ( 3.219 0.000 0.000) 3.219 6.157 ( -2.140 0.000 0.000) 2.140 6.164 ( 0.509 0.000 0.000) 0.509 6.376 ( 3.330 0.000 0.000) 3.330 6.473 ( -0.681 0.000 0.000) 0.681 6.601 ( -0.185 0.000 0.000) 0.185 7.117 ( 11.946 0.000 0.000) 11.946 7.829 ( -6.258 0.000 0.000) 6.258 8.140 ( 0.019 0.000 0.000) 0.019 8.141 ( -0.021 0.000 0.000) 0.021 8.176 ( 0.025 0.000 0.000) 0.025 8.178 ( -0.021 0.000 0.000) 0.021 8.409 ( 5.627 0.000 0.000) 5.627 9.160 ( -15.475 0.000 0.000) 15.475 9.955 ( 6.303 0.000 0.000) 6.303 10.107 ( 0.113 0.000 0.000) 0.113 10.196 ( 0.598 0.000 0.000) 0.598 10.584 ( -9.519 0.000 0.000) 9.519 10.682 ( -0.260 0.000 0.000) 0.260 10.752 ( -1.020 0.000 0.000) 1.020 12.774 ( 0.036 0.000 0.000) 0.036 12.778 ( -0.036 0.000 0.000) 0.036 14.098 ( 0.051 0.000 0.000) 0.051 14.103 ( -0.050 0.000 0.000) 0.050 14.110 ( 0.073 0.000 0.000) 0.073 14.116 ( 1.308 0.000 0.000) 1.308 14.116 ( -0.074 0.000 0.000) 0.074 14.197 ( -0.981 0.000 0.000) 0.981 14.240 ( 1.342 0.000 0.000) 1.342 14.329 ( -0.510 0.000 0.000) 0.510======================= Grid point 2 (3/42) =======================q-point: ( 0.40 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 42Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.539 ( 11.924 0.000 0.000) 11.924 0.637 ( 10.084 0.000 0.000) 10.084 0.757 ( -9.360 0.000 0.000) 9.360 0.806 ( -7.455 0.000 0.000) 7.455 1.090 ( 4.842 0.000 0.000) 4.842 1.160 ( 1.711 0.000 0.000) 1.711 1.196 ( -1.781 0.000 0.000) 1.781 1.227 ( -5.449 0.000 0.000) 5.449 1.262 ( 0.889 0.000 0.000) 0.889 1.275 ( -1.594 0.000 0.000) 1.594 1.277 ( -0.550 0.000 0.000) 0.550 1.316 ( -4.942 0.000 0.000) 4.942 1.589 ( 25.043 0.000 0.000) 25.043 1.650 ( 0.518 0.000 0.000) 0.518 1.661 ( -0.454 0.000 0.000) 0.454 1.823 ( 3.726 0.000 0.000) 3.726 1.942 ( -3.402 0.000 0.000) 3.402 2.039 ( -10.030 0.000 0.000) 10.030 2.148 ( 1.547 0.000 0.000) 1.547 2.178 ( -1.324 0.000 0.000) 1.324 2.226 ( 7.836 0.000 0.000) 7.836 2.294 ( 1.450 0.000 0.000) 1.450 2.302 ( 12.089 0.000 0.000) 12.089 2.390 ( 0.481 0.000 0.000) 0.481 2.401 ( -0.539 0.000 0.000) 0.539 2.458 ( 0.078 0.000 0.000) 0.078 2.564 ( 11.252 0.000 0.000) 11.252 2.702 ( -7.971 0.000 0.000) 7.971 2.996 ( -2.611 0.000 0.000) 2.611 3.071 ( -8.322 0.000 0.000) 8.322 3.126 ( 11.093 0.000 0.000) 11.093 3.240 ( 3.775 0.000 0.000) 3.775 3.396 ( -10.172 0.000 0.000) 10.172 3.415 ( 14.077 0.000 0.000) 14.077 3.464 ( -10.687 0.000 0.000) 10.687 3.525 ( 0.274 0.000 0.000) 0.274 3.527 ( 0.034 0.000 0.000) 0.034 3.557 ( 0.067 0.000 0.000) 0.067 3.561 ( -0.335 0.000 0.000) 0.335 3.717 ( -12.650 0.000 0.000) 12.650 3.772 ( 0.343 0.000 0.000) 0.343 3.780 ( -0.426 0.000 0.000) 0.426 3.804 ( 0.599 0.000 0.000) 0.599 3.816 ( -0.531 0.000 0.000) 0.531 3.978 ( 0.225 0.000 0.000) 0.225 3.983 ( 0.424 0.000 0.000) 0.424 3.992 ( -0.457 0.000 0.000) 0.457 4.018 ( -3.372 0.000 0.000) 3.372 4.057 ( 0.284 0.000 0.000) 0.284 4.063 ( -0.269 0.000 0.000) 0.269 4.076 ( 1.888 0.000 0.000) 1.888 4.145 ( -5.091 0.000 0.000) 5.091 4.294 ( 1.279 0.000 0.000) 1.279 4.310 ( 0.772 0.000 0.000) 0.772 4.392 ( 2.814 0.000 0.000) 2.814 4.398 ( 1.591 0.000 0.000) 1.591 4.437 ( -2.171 0.000 0.000) 2.171 4.485 ( -5.073 0.000 0.000) 5.073 4.629 ( -0.300 0.000 0.000) 0.300 4.636 ( -0.653 0.000 0.000) 0.653 4.764 ( 1.406 0.000 0.000) 1.406 4.827 ( -4.119 0.000 0.000) 4.119 4.940 ( 1.412 0.000 0.000) 1.412 4.943 ( 0.892 0.000 0.000) 0.892 5.200 ( 9.539 0.000 0.000) 9.539 5.357 ( -3.873 0.000 0.000) 3.873 5.396 ( 0.139 0.000 0.000) 0.139 5.399 ( -0.142 0.000 0.000) 0.142 5.433 ( 1.495 0.000 0.000) 1.495 5.446 ( 2.068 0.000 0.000) 2.068 5.483 ( 1.721 0.000 0.000) 1.721 5.558 ( -3.947 0.000 0.000) 3.947 5.653 ( 8.346 0.000 0.000) 8.346 5.679 ( -3.015 0.000 0.000) 3.015 5.685 ( -2.674 0.000 0.000) 2.674 5.774 ( -4.321 0.000 0.000) 4.321 5.938 ( 0.310 0.000 0.000) 0.310 5.954 ( -0.423 0.000 0.000) 0.423 6.128 ( -0.308 0.000 0.000) 0.308 6.140 ( -0.835 0.000 0.000) 0.835 6.252 ( 6.090 0.000 0.000) 6.090 6.361 ( -4.054 0.000 0.000) 4.054 6.522 ( 3.867 0.000 0.000) 3.867 6.582 ( -1.854 0.000 0.000) 1.854 7.387 ( 13.663 0.000 0.000) 13.663 7.647 ( -11.351 0.000 0.000) 11.351 8.140 ( 0.032 0.000 0.000) 0.032 8.141 ( -0.033 0.000 0.000) 0.033 8.177 ( 0.038 0.000 0.000) 0.038 8.177 ( -0.036 0.000 0.000) 0.036 8.574 ( 10.542 0.000 0.000) 10.542 8.836 ( -15.017 0.000 0.000) 15.017 10.068 ( 3.953 0.000 0.000) 3.953 10.106 ( -0.445 0.000 0.000) 0.445 10.234 ( 4.020 0.000 0.000) 4.020 10.378 ( -9.551 0.000 0.000) 9.551 10.688 ( 0.943 0.000 0.000) 0.943 10.718 ( -1.872 0.000 0.000) 1.872 12.775 ( 0.058 0.000 0.000) 0.058 12.777 ( -0.059 0.000 0.000) 0.059 14.100 ( 0.082 0.000 0.000) 0.082 14.101 ( -0.081 0.000 0.000) 0.081 14.112 ( 0.119 0.000 0.000) 0.119 14.114 ( -0.120 0.000 0.000) 0.120 14.145 ( 1.459 0.000 0.000) 1.459 14.173 ( -1.266 0.000 0.000) 1.266 14.274 ( 1.863 0.000 0.000) 1.863 14.309 ( -1.441 0.000 0.000) 1.441======================= Grid point 5 (4/42) =======================q-point: ( 0.00 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 42Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.290 ( 0.000 15.259 0.000) 15.259 0.464 ( 0.000 23.746 0.000) 23.746 0.799 ( 0.000 39.482 0.000) 39.482 1.108 ( 0.000 8.729 0.000) 8.729 1.122 ( 0.000 1.523 0.000) 1.523 1.185 ( 0.000 1.490 0.000) 1.490 1.268 ( 0.000 4.208 0.000) 4.208 1.328 ( 0.000 6.999 0.000) 6.999 1.345 ( 0.000 23.430 0.000) 23.430 1.385 ( 0.000 7.592 0.000) 7.592 1.403 ( 0.000 12.942 0.000) 12.942 1.498 ( 0.000 4.807 0.000) 4.807 1.556 ( 0.000 6.810 0.000) 6.810 1.765 ( 0.000 10.825 0.000) 10.825 1.823 ( 0.000 13.990 0.000) 13.990 1.872 ( 0.000 5.710 0.000) 5.710 1.893 ( 0.000 1.122 0.000) 1.122 1.952 ( 0.000 2.072 0.000) 2.072 2.073 ( 0.000 7.159 0.000) 7.159 2.074 ( 0.000 4.652 0.000) 4.652 2.090 ( 0.000 2.929 0.000) 2.929 2.223 ( 0.000 -0.174 0.000) 0.174 2.268 ( 0.000 13.353 0.000) 13.353 2.454 ( 0.000 10.534 0.000) 10.534 2.481 ( 0.000 8.274 0.000) 8.274 2.489 ( 0.000 7.942 0.000) 7.942 2.552 ( 0.000 12.547 0.000) 12.547 2.643 ( 0.000 6.605 0.000) 6.605 3.004 ( 0.000 0.661 0.000) 0.661 3.170 ( 0.000 1.105 0.000) 1.105 3.176 ( 0.000 4.665 0.000) 4.665 3.197 ( 0.000 3.200 0.000) 3.200 3.356 ( 0.000 -3.069 0.000) 3.069 3.548 ( 0.000 3.011 0.000) 3.011 3.567 ( 0.000 -0.069 0.000) 0.069 3.606 ( 0.000 2.777 0.000) 2.777 3.610 ( 0.000 -2.536 0.000) 2.536 3.657 ( 0.000 0.668 0.000) 0.668 3.727 ( 0.000 -0.899 0.000) 0.899 3.823 ( 0.000 5.068 0.000) 5.068 3.836 ( 0.000 2.492 0.000) 2.492 3.837 ( 0.000 0.056 0.000) 0.056 3.869 ( 0.000 6.041 0.000) 6.041 3.960 ( 0.000 3.086 0.000) 3.086 4.029 ( 0.000 1.238 0.000) 1.238 4.058 ( 0.000 2.082 0.000) 2.082 4.071 ( 0.000 2.225 0.000) 2.225 4.072 ( 0.000 5.606 0.000) 5.606 4.122 ( 0.000 3.857 0.000) 3.857 4.135 ( 0.000 3.554 0.000) 3.554 4.248 ( 0.000 -3.070 0.000) 3.070 4.305 ( 0.000 2.297 0.000) 2.297 4.317 ( 0.000 -0.352 0.000) 0.352 4.333 ( 0.000 -0.633 0.000) 0.633 4.395 ( 0.000 6.221 0.000) 6.221 4.475 ( 0.000 -5.374 0.000) 5.374 4.502 ( 0.000 -1.666 0.000) 1.666 4.563 ( 0.000 2.158 0.000) 2.158 4.645 ( 0.000 -0.456 0.000) 0.456 4.705 ( 0.000 -0.149 0.000) 0.149 4.731 ( 0.000 -3.070 0.000) 3.070 4.760 ( 0.000 -1.389 0.000) 1.389 4.808 ( 0.000 -5.465 0.000) 5.465 4.933 ( 0.000 7.421 0.000) 7.421 4.961 ( 0.000 7.624 0.000) 7.624 5.004 ( 0.000 -0.243 0.000) 0.243 5.236 ( 0.000 -2.962 0.000) 2.962 5.363 ( 0.000 -3.453 0.000) 3.453 5.451 ( 0.000 -2.332 0.000) 2.332 5.480 ( 0.000 -0.721 0.000) 0.721 5.533 ( 0.000 -2.499 0.000) 2.499 5.536 ( 0.000 5.871 0.000) 5.871 5.683 ( 0.000 -2.626 0.000) 2.626 5.811 ( 0.000 4.990 0.000) 4.990 5.863 ( 0.000 -4.983 0.000) 4.983 5.902 ( 0.000 -3.589 0.000) 3.589 5.905 ( 0.000 -5.252 0.000) 5.252 5.920 ( 0.000 -3.311 0.000) 3.311 6.004 ( 0.000 -7.859 0.000) 7.859 6.089 ( 0.000 -4.818 0.000) 4.818 6.133 ( 0.000 -5.606 0.000) 5.606 6.260 ( 0.000 2.003 0.000) 2.003 6.304 ( 0.000 -1.847 0.000) 1.847 6.409 ( 0.000 -8.498 0.000) 8.498 6.747 ( 0.000 -5.943 0.000) 5.943 6.890 ( 0.000 -8.161 0.000) 8.161 8.036 ( 0.000 -7.115 0.000) 7.115 8.046 ( 0.000 -7.565 0.000) 7.565 8.167 ( 0.000 -0.704 0.000) 0.704 8.395 ( 0.000 0.538 0.000) 0.538 9.027 ( 0.000 -14.504 0.000) 14.504 9.121 ( 0.000 -23.368 0.000) 23.368 10.131 ( 0.000 13.825 0.000) 13.825 10.253 ( 0.000 14.060 0.000) 14.060 10.339 ( 0.000 17.832 0.000) 17.832 10.665 ( 0.000 -2.953 0.000) 2.953 10.851 ( 0.000 9.907 0.000) 9.907 10.851 ( 0.000 15.195 0.000) 15.195 12.657 ( 0.000 -11.267 0.000) 11.267 12.663 ( 0.000 -11.098 0.000) 11.098 13.845 ( 0.000 -14.562 0.000) 14.562 13.866 ( 0.000 -14.270 0.000) 14.270 13.927 ( 0.000 -12.805 0.000) 12.805 13.937 ( 0.000 -9.799 0.000) 9.799 14.375 ( 0.000 10.936 0.000) 10.936 14.403 ( 0.000 10.248 0.000) 10.248 14.437 ( 0.000 13.098 0.000) 13.098 14.530 ( 0.000 13.034 0.000) 13.034======================= Grid point 6 (5/42) =======================q-point: ( 0.20 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 66Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.569 ( 8.513 17.113 0.000) 19.113 0.669 ( 15.434 13.170 0.000) 20.289 0.962 ( 8.520 16.535 0.000) 18.601 1.001 ( 3.840 10.445 0.000) 11.128 1.069 ( -4.840 8.719 0.000) 9.972 1.118 ( -1.888 4.932 0.000) 5.281 1.296 ( -2.476 5.357 0.000) 5.901 1.305 ( -3.452 10.963 0.000) 11.493 1.362 ( -1.464 15.056 0.000) 15.127 1.374 ( 4.999 11.655 0.000) 12.682 1.436 ( 3.111 12.600 0.000) 12.979 1.505 ( -0.722 11.516 0.000) 11.539 1.621 ( -13.490 1.756 0.000) 13.604 1.686 ( 9.251 3.884 0.000) 10.033 1.744 ( -1.718 7.204 0.000) 7.406 1.762 ( -2.560 10.545 0.000) 10.851 2.012 ( 2.928 6.902 0.000) 7.498 2.074 ( 8.717 5.331 0.000) 10.218 2.104 ( 3.174 2.075 0.000) 3.792 2.119 ( 5.608 5.606 0.000) 7.929 2.174 ( 5.663 0.906 0.000) 5.735 2.275 ( 0.844 12.921 0.000) 12.949 2.344 ( 10.668 4.238 0.000) 11.479 2.424 ( -0.496 12.672 0.000) 12.682 2.484 ( -0.484 7.090 0.000) 7.106 2.501 ( 0.714 11.109 0.000) 11.132 2.547 ( -0.725 12.242 0.000) 12.263 2.816 ( 14.405 1.664 0.000) 14.501 2.933 ( -7.820 2.015 0.000) 8.076 3.116 ( -4.032 1.376 0.000) 4.260 3.139 ( -2.500 2.153 0.000) 3.300 3.231 ( 4.439 2.551 0.000) 5.120 3.304 ( -5.090 -1.042 0.000) 5.195 3.529 ( -2.431 -0.405 0.000) 2.465 3.552 ( -3.576 -1.828 0.000) 4.016 3.580 ( -0.423 2.102 0.000) 2.144 3.581 ( -3.166 2.465 0.000) 4.012 3.612 ( -2.044 2.101 0.000) 2.932 3.659 ( -5.948 0.687 0.000) 5.987 3.809 ( -0.576 1.924 0.000) 2.008 3.821 ( -1.673 -0.550 0.000) 1.761 3.843 ( 0.211 5.303 0.000) 5.307 3.848 ( -1.910 4.564 0.000) 4.947 3.917 ( -3.977 3.243 0.000) 5.131 3.937 ( -3.678 0.864 0.000) 3.778 4.070 ( -0.316 3.864 0.000) 3.877 4.081 ( -2.341 3.349 0.000) 4.086 4.087 ( -1.593 3.189 0.000) 3.565 4.100 ( 1.289 2.913 0.000) 3.185 4.109 ( 1.072 3.917 0.000) 4.061 4.205 ( -6.032 11.941 0.000) 13.378 4.212 ( -1.199 0.487 0.000) 1.295 4.295 ( -0.999 1.945 0.000) 2.187 4.352 ( 1.378 0.359 0.000) 1.424 4.367 ( 2.134 0.245 0.000) 2.148 4.393 ( -2.671 4.284 0.000) 5.049 4.460 ( -2.534 -1.905 0.000) 3.170 4.517 ( -2.996 -4.707 0.000) 5.579 4.642 ( -1.056 -0.197 0.000) 1.074 4.644 ( -5.559 -3.375 0.000) 6.503 4.719 ( 1.324 -1.379 0.000) 1.912 4.793 ( 3.327 -2.672 0.000) 4.267 4.863 ( 2.845 -3.018 0.000) 4.148 4.920 ( -0.824 0.600 0.000) 1.019 5.044 ( 3.636 -1.208 0.000) 3.832 5.278 ( 11.605 -0.346 0.000) 11.610 5.306 ( 6.125 -2.301 0.000) 6.543 5.376 ( 1.241 -2.760 0.000) 3.026 5.477 ( -0.743 -1.135 0.000) 1.357 5.478 ( 4.597 -1.230 0.000) 4.759 5.528 ( 0.331 6.447 0.000) 6.456 5.543 ( 0.631 6.761 0.000) 6.790 5.620 ( -4.002 -2.446 0.000) 4.690 5.749 ( -4.849 0.905 0.000) 4.933 5.755 ( -5.677 -2.408 0.000) 6.166 5.862 ( -3.523 -0.156 0.000) 3.527 5.895 ( 0.154 -5.062 0.000) 5.064 5.919 ( 0.021 -3.227 0.000) 3.227 6.102 ( 3.430 -3.883 0.000) 5.181 6.125 ( -0.484 -3.185 0.000) 3.221 6.149 ( 0.565 -0.975 0.000) 1.127 6.346 ( 2.273 -3.042 0.000) 3.797 6.376 ( -1.210 -9.251 0.000) 9.329 6.435 ( 5.470 -14.840 0.000) 15.816 7.015 ( 9.994 -10.124 0.000) 14.226 7.051 ( 19.999 -28.055 0.000) 34.454 8.037 ( 0.174 -7.141 0.000) 7.143 8.046 ( -0.014 -7.518 0.000) 7.518 8.177 ( 1.224 0.108 0.000) 1.229 8.445 ( 4.794 -0.063 0.000) 4.794 8.725 ( -19.754 7.014 0.000) 20.962 9.013 ( -9.771 -15.404 0.000) 18.241 10.094 ( 0.725 13.179 0.000) 13.199 10.256 ( 0.235 14.231 0.000) 14.233 10.305 ( -1.091 13.550 0.000) 13.594 10.559 ( -8.859 -1.663 0.000) 9.014 10.841 ( -1.011 14.989 0.000) 15.023 10.851 ( -0.400 10.104 0.000) 10.112 12.658 ( 0.054 -11.262 0.000) 11.262 12.662 ( -0.077 -11.153 0.000) 11.154 13.843 ( 0.077 -14.036 0.000) 14.037 13.864 ( -0.240 -14.248 0.000) 14.250 13.928 ( 0.066 -12.642 0.000) 12.642 13.936 ( -0.170 -10.268 0.000) 10.269 14.357 ( -0.241 11.694 0.000) 11.696 14.396 ( -0.609 10.390 0.000) 10.408 14.449 ( 1.014 13.063 0.000) 13.102 14.524 ( -0.587 12.920 0.000) 12.934======================= Grid point 7 (6/42) =======================q-point: ( 0.40 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 66Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.739 ( 7.103 10.092 0.000) 12.341 0.852 ( -2.541 7.693 0.000) 8.102 0.863 ( 4.216 18.270 0.000) 18.750 0.975 ( -4.482 13.128 0.000) 13.872 1.114 ( 2.116 5.912 0.000) 6.279 1.198 ( -3.758 3.647 0.000) 5.237 1.262 ( 0.273 4.492 0.000) 4.500 1.297 ( 2.551 9.147 0.000) 9.496 1.335 ( -0.923 16.887 0.000) 16.912 1.356 ( -7.755 7.944 0.000) 11.102 1.476 ( 0.739 11.250 0.000) 11.274 1.492 ( -0.715 12.399 0.000) 12.420 1.649 ( 11.443 10.208 0.000) 15.335 1.701 ( -1.011 6.361 0.000) 6.440 1.771 ( 10.463 9.326 0.000) 14.016 1.854 ( 5.174 4.360 0.000) 6.766 1.962 ( -3.680 3.321 0.000) 4.957 2.107 ( -7.839 6.693 0.000) 10.308 2.224 ( 2.648 3.533 0.000) 4.415 2.237 ( 0.944 5.911 0.000) 5.986 2.322 ( 5.348 11.572 0.000) 12.748 2.346 ( 7.515 6.179 0.000) 9.729 2.420 ( 2.651 11.455 0.000) 11.757 2.492 ( 1.139 4.006 0.000) 4.165 2.504 ( 0.924 8.212 0.000) 8.264 2.511 ( -2.520 9.938 0.000) 10.252 2.581 ( 9.506 4.751 0.000) 10.627 2.751 ( -7.956 6.051 0.000) 9.996 3.022 ( -3.361 1.609 0.000) 3.726 3.068 ( -6.489 -0.066 0.000) 6.490 3.119 ( 12.963 1.424 0.000) 13.041 3.254 ( 2.845 1.749 0.000) 3.340 3.372 ( -9.126 -1.910 0.000) 9.323 3.383 ( 8.841 -2.279 0.000) 9.130 3.449 ( -7.988 -0.619 0.000) 8.012 3.515 ( -1.659 -0.570 0.000) 1.754 3.566 ( 0.341 2.753 0.000) 2.774 3.586 ( 0.209 2.470 0.000) 2.478 3.612 ( 0.108 3.979 0.000) 3.981 3.727 ( -9.110 0.953 0.000) 9.159 3.804 ( 0.143 0.350 0.000) 0.378 3.818 ( -1.024 1.818 0.000) 2.086 3.839 ( -1.710 3.261 0.000) 3.683 3.839 ( -0.605 5.130 0.000) 5.165 3.923 ( 1.656 0.188 0.000) 1.667 3.994 ( -4.983 1.108 0.000) 5.105 4.056 ( -0.614 2.472 0.000) 2.547 4.061 ( -0.730 2.746 0.000) 2.841 4.111 ( 0.222 6.137 0.000) 6.141 4.133 ( -1.692 8.302 0.000) 8.472 4.159 ( 2.491 6.234 0.000) 6.713 4.203 ( -0.947 4.416 0.000) 4.517 4.295 ( 0.615 0.349 0.000) 0.707 4.309 ( -1.855 0.039 0.000) 1.855 4.392 ( 1.726 -0.725 0.000) 1.872 4.400 ( 1.344 0.261 0.000) 1.369 4.430 ( -1.262 0.232 0.000) 1.283 4.446 ( -3.465 -3.578 0.000) 4.980 4.592 ( 0.095 -1.925 0.000) 1.927 4.615 ( -1.501 -0.395 0.000) 1.552 4.738 ( 1.016 -1.700 0.000) 1.981 4.783 ( -3.006 -2.773 0.000) 4.089 4.918 ( 1.704 -1.565 0.000) 2.313 4.924 ( 0.700 -0.972 0.000) 1.198 5.181 ( 9.027 -1.954 0.000) 9.236 5.330 ( -3.781 -2.435 0.000) 4.498 5.410 ( 1.492 -2.299 0.000) 2.740 5.425 ( 3.093 -1.320 0.000) 3.363 5.455 ( 0.525 -2.708 0.000) 2.759 5.533 ( -4.055 -0.648 0.000) 4.106 5.536 ( 0.401 5.438 0.000) 5.453 5.549 ( -0.282 8.330 0.000) 8.334 5.653 ( -0.469 -1.793 0.000) 1.853 5.662 ( 6.391 1.759 0.000) 6.629 5.662 ( -2.914 -2.092 0.000) 3.587 5.781 ( -4.192 1.214 0.000) 4.364 5.897 ( 1.002 -4.089 0.000) 4.210 5.922 ( -0.460 -3.084 0.000) 3.118 6.118 ( 0.182 -0.457 0.000) 0.492 6.137 ( -1.266 0.030 0.000) 1.266 6.198 ( 5.274 -5.620 0.000) 7.707 6.297 ( -4.159 -7.412 0.000) 8.499 6.433 ( 3.150 -7.550 0.000) 8.181 6.472 ( -0.457 -10.292 0.000) 10.302 7.212 ( 7.874 -15.739 0.000) 17.599 7.278 ( 2.728 -25.078 0.000) 25.226 8.042 ( 0.218 -7.225 0.000) 7.229 8.045 ( -0.106 -7.387 0.000) 7.388 8.234 ( 4.880 3.807 0.000) 6.189 8.400 ( -11.879 9.776 0.000) 15.384 8.583 ( 8.596 -2.300 0.000) 8.898 8.787 ( -11.236 -7.177 0.000) 13.332 10.173 ( 6.052 8.060 0.000) 10.079 10.258 ( -0.556 14.954 0.000) 14.964 10.294 ( -0.011 9.931 0.000) 9.931 10.367 ( -8.599 -0.294 0.000) 8.604 10.826 ( -0.194 13.504 0.000) 13.505 10.835 ( -0.904 11.578 0.000) 11.613 12.659 ( 0.071 -11.253 0.000) 11.254 12.660 ( -0.083 -11.226 0.000) 11.226 13.849 ( 0.403 -14.130 0.000) 14.136 13.857 ( -0.389 -14.212 0.000) 14.217 13.930 ( 0.086 -12.120 0.000) 12.120 13.932 ( -0.181 -11.236 0.000) 11.238 14.366 ( 0.745 10.975 0.000) 11.001 14.382 ( -0.783 10.633 0.000) 10.662 14.476 ( 1.491 12.912 0.000) 12.998 14.505 ( -1.269 12.830 0.000) 12.893======================= Grid point 10 (7/42) =======================q-point: ( 0.00 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 42Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.587 ( 0.000 15.417 0.000) 15.417 0.906 ( 0.000 21.795 0.000) 21.795 1.179 ( 0.000 4.081 0.000) 4.081 1.227 ( 0.000 2.918 0.000) 2.918 1.271 ( 0.000 8.232 0.000) 8.232 1.390 ( 0.000 8.011 0.000) 8.011 1.454 ( 0.000 25.531 0.000) 25.531 1.497 ( 0.000 10.151 0.000) 10.151 1.520 ( 0.000 7.669 0.000) 7.669 1.579 ( 0.000 4.221 0.000) 4.221 1.748 ( 0.000 23.737 0.000) 23.737 1.766 ( 0.000 12.425 0.000) 12.425 1.868 ( 0.000 21.860 0.000) 21.860 1.871 ( 0.000 1.488 0.000) 1.488 1.965 ( 0.000 10.158 0.000) 10.158 1.968 ( 0.000 0.345 0.000) 0.345 2.120 ( 0.000 17.137 0.000) 17.137 2.158 ( 0.000 18.977 0.000) 18.977 2.192 ( 0.000 6.734 0.000) 6.734 2.230 ( 0.000 11.007 0.000) 11.007 2.259 ( 0.000 3.504 0.000) 3.504 2.281 ( 0.000 12.647 0.000) 12.647 2.568 ( 0.000 16.683 0.000) 16.683 2.614 ( 0.000 6.567 0.000) 6.567 2.674 ( 0.000 11.659 0.000) 11.659 2.694 ( 0.000 12.293 0.000) 12.293 2.851 ( 0.000 16.726 0.000) 16.726 2.881 ( 0.000 15.529 0.000) 15.529 3.055 ( 0.000 5.277 0.000) 5.277 3.264 ( 0.000 9.282 0.000) 9.282 3.294 ( 0.000 6.744 0.000) 6.744 3.309 ( 0.000 -1.027 0.000) 1.027 3.336 ( 0.000 12.143 0.000) 12.143 3.515 ( 0.000 -2.901 0.000) 2.901 3.609 ( 0.000 2.950 0.000) 2.950 3.630 ( 0.000 -3.013 0.000) 3.013 3.652 ( 0.000 5.721 0.000) 5.721 3.669 ( 0.000 4.269 0.000) 4.269 3.744 ( 0.000 1.586 0.000) 1.586 3.829 ( 0.000 -0.317 0.000) 0.317 3.867 ( 0.000 1.115 0.000) 1.115 3.918 ( 0.000 4.139 0.000) 4.139 3.978 ( 0.000 4.870 0.000) 4.870 4.053 ( 0.000 5.376 0.000) 5.376 4.085 ( 0.000 4.341 0.000) 4.341 4.121 ( 0.000 2.459 0.000) 2.459 4.135 ( 0.000 5.420 0.000) 5.420 4.162 ( 0.000 0.940 0.000) 0.940 4.196 ( 0.000 3.255 0.000) 3.255 4.213 ( 0.000 3.958 0.000) 3.958 4.218 ( 0.000 3.148 0.000) 3.148 4.326 ( 0.000 1.253 0.000) 1.253 4.329 ( 0.000 1.002 0.000) 1.002 4.367 ( 0.000 3.907 0.000) 3.907 4.421 ( 0.000 -0.851 0.000) 0.851 4.492 ( 0.000 0.772 0.000) 0.772 4.547 ( 0.000 8.688 0.000) 8.688 4.613 ( 0.000 -7.488 0.000) 7.488 4.627 ( 0.000 3.885 0.000) 3.885 4.638 ( 0.000 0.058 0.000) 0.058 4.713 ( 0.000 1.629 0.000) 1.629 4.723 ( 0.000 -2.229 0.000) 2.229 4.753 ( 0.000 -1.860 0.000) 1.860 4.922 ( 0.000 -1.269 0.000) 1.269 4.999 ( 0.000 -0.210 0.000) 0.210 5.165 ( 0.000 -4.586 0.000) 4.586 5.222 ( 0.000 10.394 0.000) 10.394 5.264 ( 0.000 -6.474 0.000) 6.474 5.376 ( 0.000 -5.021 0.000) 5.021 5.470 ( 0.000 -0.057 0.000) 0.057 5.476 ( 0.000 -3.057 0.000) 3.057 5.543 ( 0.000 -3.333 0.000) 3.333 5.608 ( 0.000 -5.077 0.000) 5.077 5.733 ( 0.000 -7.114 0.000) 7.114 5.787 ( 0.000 -6.277 0.000) 6.277 5.808 ( 0.000 -5.875 0.000) 5.875 5.828 ( 0.000 -6.313 0.000) 6.313 5.849 ( 0.000 -8.352 0.000) 8.352 5.946 ( 0.000 6.299 0.000) 6.299 5.984 ( 0.000 -9.309 0.000) 9.309 5.992 ( 0.000 -4.358 0.000) 4.358 6.206 ( 0.000 -11.313 0.000) 11.313 6.267 ( 0.000 -1.204 0.000) 1.204 6.283 ( 0.000 1.004 0.000) 1.004 6.599 ( 0.000 -9.099 0.000) 9.099 6.679 ( 0.000 -13.067 0.000) 13.067 7.922 ( 0.000 -4.483 0.000) 4.483 7.932 ( 0.000 -3.392 0.000) 3.392 8.139 ( 0.000 -2.971 0.000) 2.971 8.307 ( 0.000 -9.610 0.000) 9.610 8.649 ( 0.000 -23.240 0.000) 23.240 8.665 ( 0.000 -23.223 0.000) 23.223 10.351 ( 0.000 10.966 0.000) 10.966 10.516 ( 0.000 6.445 0.000) 6.445 10.717 ( 0.000 14.741 0.000) 14.741 10.788 ( 0.000 25.394 0.000) 25.394 11.087 ( 0.000 12.317 0.000) 12.317 11.162 ( 0.000 13.669 0.000) 13.669 12.404 ( 0.000 -12.480 0.000) 12.480 12.417 ( 0.000 -11.731 0.000) 11.731 13.585 ( 0.000 -11.795 0.000) 11.795 13.620 ( 0.000 -10.617 0.000) 10.617 13.679 ( 0.000 -12.966 0.000) 12.966 13.757 ( 0.000 -9.285 0.000) 9.285 14.544 ( 0.000 6.404 0.000) 6.404 14.555 ( 0.000 5.360 0.000) 5.360 14.662 ( 0.000 9.642 0.000) 9.642 14.754 ( 0.000 9.586 0.000) 9.586======================= Grid point 11 (8/42) =======================q-point: ( 0.20 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 66Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.821 ( 16.534 7.866 0.000) 18.310 0.933 ( 2.522 19.291 0.000) 19.455 1.081 ( -5.288 6.961 0.000) 8.742 1.169 ( -3.868 4.260 0.000) 5.754 1.277 ( 0.345 9.269 0.000) 9.275 1.420 ( -2.402 10.775 0.000) 11.040 1.452 ( -3.846 8.818 0.000) 9.620 1.537 ( 4.753 18.584 0.000) 19.183 1.584 ( 8.447 10.938 0.000) 13.820 1.625 ( 0.792 1.892 0.000) 2.051 1.667 ( -7.467 4.372 0.000) 8.652 1.744 ( -0.450 13.231 0.000) 13.239 1.794 ( 1.689 24.593 0.000) 24.651 1.935 ( 1.186 22.116 0.000) 22.148 1.962 ( -1.959 8.261 0.000) 8.490 1.971 ( 4.759 14.668 0.000) 15.421 2.138 ( -3.635 3.986 0.000) 5.394 2.198 ( 5.593 9.695 0.000) 11.192 2.228 ( 2.411 10.526 0.000) 10.798 2.299 ( 8.552 12.710 0.000) 15.319 2.308 ( 9.094 12.307 0.000) 15.302 2.476 ( 10.076 9.072 0.000) 13.558 2.563 ( -0.015 15.703 0.000) 15.703 2.667 ( 1.584 11.047 0.000) 11.160 2.674 ( -2.074 11.819 0.000) 12.000 2.709 ( 5.842 7.198 0.000) 9.270 2.832 ( -2.857 15.265 0.000) 15.530 2.896 ( 2.703 9.282 0.000) 9.668 3.015 ( -3.564 6.779 0.000) 7.659 3.205 ( -5.562 4.635 0.000) 7.240 3.234 ( -2.035 10.795 0.000) 10.985 3.318 ( -1.011 3.581 0.000) 3.721 3.349 ( 1.094 10.397 0.000) 10.455 3.475 ( -4.020 -2.283 0.000) 4.623 3.576 ( -5.134 -2.006 0.000) 5.512 3.577 ( -2.298 2.231 0.000) 3.203 3.646 ( -0.490 5.257 0.000) 5.280 3.662 ( -1.244 4.276 0.000) 4.454 3.701 ( -3.073 1.890 0.000) 3.608 3.814 ( -1.434 0.291 0.000) 1.464 3.836 ( -1.970 1.353 0.000) 2.390 3.929 ( -4.132 3.445 0.000) 5.380 3.933 ( 0.175 3.129 0.000) 3.134 4.000 ( -2.957 5.359 0.000) 6.121 4.004 ( -5.257 4.628 0.000) 7.004 4.093 ( -1.907 0.811 0.000) 2.072 4.164 ( -0.298 4.503 0.000) 4.513 4.168 ( -0.344 3.672 0.000) 3.688 4.189 ( 0.640 3.651 0.000) 3.707 4.199 ( 0.901 6.168 0.000) 6.234 4.251 ( 1.225 3.769 0.000) 3.963 4.316 ( -1.548 2.357 0.000) 2.820 4.339 ( 1.605 0.095 0.000) 1.608 4.368 ( -0.449 1.736 0.000) 1.793 4.404 ( -0.869 2.415 0.000) 2.566 4.441 ( -4.933 1.540 0.000) 5.167 4.511 ( -6.047 6.395 0.000) 8.801 4.519 ( -4.025 2.008 0.000) 4.498 4.582 ( 0.120 0.972 0.000) 0.979 4.642 ( -0.160 0.424 0.000) 0.453 4.700 ( 0.368 -0.734 0.000) 0.821 4.739 ( 1.360 -3.154 0.000) 3.434 4.819 ( 4.701 -1.677 0.000) 4.991 4.944 ( -0.808 1.164 0.000) 1.417 5.013 ( 2.104 -2.042 0.000) 2.932 5.231 ( 2.966 -5.212 0.000) 5.996 5.249 ( 6.886 -3.484 0.000) 7.717 5.322 ( 0.560 -3.056 0.000) 3.107 5.431 ( 6.930 -2.908 0.000) 7.515 5.447 ( -2.601 -2.050 0.000) 3.312 5.551 ( -3.732 -4.466 0.000) 5.820 5.563 ( 1.883 -2.461 0.000) 3.098 5.624 ( 8.109 3.528 0.000) 8.843 5.684 ( -5.014 -4.569 0.000) 6.784 5.731 ( -6.305 -3.715 0.000) 7.318 5.768 ( 0.383 -6.994 0.000) 7.004 5.823 ( 1.109 -5.006 0.000) 5.127 5.897 ( -3.880 -1.479 0.000) 4.152 5.961 ( 4.738 -12.072 0.000) 12.968 6.044 ( 6.331 -7.409 0.000) 9.746 6.057 ( 4.107 -2.718 0.000) 4.925 6.158 ( -3.501 -10.860 0.000) 11.410 6.273 ( -0.439 -0.145 0.000) 0.462 6.286 ( 1.428 -2.537 0.000) 2.911 6.695 ( 8.112 -13.755 0.000) 15.969 6.762 ( 6.389 -15.093 0.000) 16.390 7.924 ( 0.200 -4.358 0.000) 4.363 7.933 ( 0.101 -3.382 0.000) 3.384 8.159 ( 2.256 -2.952 0.000) 3.716 8.341 ( 3.173 -10.618 0.000) 11.082 8.571 ( -6.823 -17.252 0.000) 18.552 8.631 ( -3.507 -22.135 0.000) 22.411 10.330 ( -1.370 11.569 0.000) 11.650 10.492 ( -2.692 3.971 0.000) 4.797 10.674 ( -3.031 19.394 0.000) 19.629 10.723 ( -4.479 25.996 0.000) 26.379 11.094 ( 0.522 12.669 0.000) 12.680 11.154 ( -0.991 14.070 0.000) 14.105 12.404 ( 0.017 -12.520 0.000) 12.520 12.414 ( -0.263 -11.926 0.000) 11.929 13.588 ( 0.268 -11.697 0.000) 11.700 13.616 ( -0.382 -10.837 0.000) 10.844 13.684 ( 0.504 -12.649 0.000) 12.659 13.746 ( -0.988 -9.745 0.000) 9.795 14.536 ( -0.389 6.684 0.000) 6.696 14.551 ( -0.349 5.521 0.000) 5.532 14.672 ( 0.961 9.578 0.000) 9.626 14.746 ( -0.707 9.535 0.000) 9.561======================= Grid point 12 (9/42) =======================q-point: ( 0.40 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 66Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.984 ( 1.371 14.099 0.000) 14.165 1.001 ( -1.141 9.052 0.000) 9.123 1.094 ( 7.124 6.726 0.000) 9.797 1.130 ( 0.752 5.707 0.000) 5.756 1.292 ( 1.230 9.675 0.000) 9.753 1.345 ( -4.172 10.037 0.000) 10.869 1.394 ( -1.536 10.102 0.000) 10.218 1.437 ( -6.576 7.323 0.000) 9.842 1.608 ( -0.169 8.099 0.000) 8.101 1.609 ( -0.946 2.261 0.000) 2.451 1.747 ( 1.044 18.434 0.000) 18.463 1.748 ( 0.360 17.524 0.000) 17.527 1.925 ( -0.490 15.442 0.000) 15.449 1.932 ( -1.064 13.561 0.000) 13.603 1.988 ( 17.579 17.244 0.000) 24.625 2.079 ( 3.138 18.537 0.000) 18.801 2.106 ( -0.346 10.943 0.000) 10.948 2.255 ( -3.519 8.294 0.000) 9.010 2.324 ( 6.025 8.321 0.000) 10.273 2.399 ( -0.851 11.396 0.000) 11.428 2.515 ( 8.832 8.906 0.000) 12.543 2.591 ( 0.783 14.424 0.000) 14.445 2.619 ( 1.876 10.623 0.000) 10.787 2.623 ( -1.152 9.232 0.000) 9.304 2.682 ( 2.269 12.250 0.000) 12.458 2.723 ( -4.291 11.545 0.000) 12.316 2.809 ( 4.740 13.600 0.000) 14.403 2.955 ( -4.559 13.199 0.000) 13.964 3.015 ( 4.987 -1.457 0.000) 5.195 3.081 ( -5.182 1.750 0.000) 5.470 3.255 ( 5.585 11.382 0.000) 12.678 3.303 ( 0.509 1.821 0.000) 1.890 3.359 ( -2.003 0.753 0.000) 2.140 3.371 ( -5.104 4.639 0.000) 6.897 3.465 ( -1.808 3.025 0.000) 3.525 3.525 ( -3.330 1.831 0.000) 3.800 3.624 ( -0.540 3.914 0.000) 3.951 3.639 ( -0.524 3.554 0.000) 3.593 3.683 ( 0.809 3.084 0.000) 3.189 3.757 ( -5.594 2.240 0.000) 6.026 3.805 ( -0.887 0.418 0.000) 0.981 3.820 ( -3.834 -0.665 0.000) 3.891 3.928 ( 0.180 3.263 0.000) 3.268 3.933 ( -0.790 5.305 0.000) 5.363 3.983 ( -0.035 5.359 0.000) 5.359 4.023 ( -4.143 1.795 0.000) 4.515 4.141 ( -0.445 5.618 0.000) 5.636 4.146 ( -0.690 5.295 0.000) 5.340 4.229 ( 1.827 2.879 0.000) 3.409 4.233 ( 1.268 5.361 0.000) 5.509 4.288 ( 2.702 4.230 0.000) 5.019 4.294 ( -0.076 3.685 0.000) 3.686 4.335 ( -3.757 3.334 0.000) 5.023 4.337 ( -1.492 4.552 0.000) 4.790 4.375 ( 0.947 0.304 0.000) 0.994 4.400 ( -1.212 -0.248 0.000) 1.237 4.420 ( -2.048 2.996 0.000) 3.629 4.437 ( -3.076 -0.759 0.000) 3.168 4.614 ( 2.094 4.195 0.000) 4.688 4.641 ( -0.285 2.722 0.000) 2.737 4.710 ( 0.599 -1.282 0.000) 1.415 4.735 ( -1.478 -2.499 0.000) 2.903 4.891 ( 1.962 -0.900 0.000) 2.159 4.917 ( -1.118 0.327 0.000) 1.165 5.122 ( 7.981 -4.213 0.000) 9.025 5.253 ( -2.743 -5.688 0.000) 6.314 5.342 ( 1.253 -4.874 0.000) 5.033 5.375 ( 0.838 -5.231 0.000) 5.298 5.391 ( 1.628 -2.085 0.000) 2.646 5.466 ( -3.445 -4.018 0.000) 5.293 5.557 ( 3.461 -2.840 0.000) 4.477 5.590 ( -0.200 -3.015 0.000) 3.021 5.595 ( -1.660 -3.051 0.000) 3.473 5.625 ( -3.498 -1.906 0.000) 3.984 5.742 ( 3.210 2.077 0.000) 3.823 5.804 ( 3.522 -4.230 0.000) 5.504 5.805 ( -3.641 -0.565 0.000) 3.685 5.848 ( -0.202 -4.118 0.000) 4.123 6.018 ( 2.089 -12.120 0.000) 12.299 6.070 ( -2.968 -14.295 0.000) 14.600 6.137 ( 1.573 1.585 0.000) 2.233 6.144 ( 1.696 -2.553 0.000) 3.065 6.285 ( 1.495 -4.662 0.000) 4.896 6.304 ( 0.015 -4.746 0.000) 4.746 6.846 ( 4.952 -19.481 0.000) 20.100 6.867 ( 2.730 -18.634 0.000) 18.833 7.929 ( 0.274 -4.011 0.000) 4.021 7.934 ( -0.122 -3.590 0.000) 3.592 8.243 ( 6.193 -3.966 0.000) 7.354 8.402 ( -8.847 -8.693 0.000) 12.404 8.427 ( 5.067 -13.407 0.000) 14.332 8.537 ( -5.383 -17.637 0.000) 18.441 10.331 ( 1.919 9.534 0.000) 9.725 10.406 ( -4.909 4.805 0.000) 6.869 10.638 ( -0.314 23.306 0.000) 23.308 10.656 ( -1.982 24.341 0.000) 24.422 11.106 ( 0.717 13.743 0.000) 13.762 11.127 ( -1.373 14.478 0.000) 14.543 12.405 ( 0.092 -12.518 0.000) 12.519 12.408 ( -0.228 -12.302 0.000) 12.304 13.595 ( 0.470 -11.515 0.000) 11.524 13.606 ( -0.528 -11.227 0.000) 11.239 13.699 ( 0.935 -11.838 0.000) 11.875 13.722 ( -1.261 -10.745 0.000) 10.819 14.535 ( 0.244 6.368 0.000) 6.373 14.543 ( -0.439 5.890 0.000) 5.906 14.697 ( 1.405 9.523 0.000) 9.626 14.726 ( -1.288 9.487 0.000) 9.574======================= Grid point 15 (10/42) =======================q-point: ( 0.00 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 42Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.878 ( 0.000 14.627 0.000) 14.627 1.236 ( 0.000 7.886 0.000) 7.886 1.265 ( 0.000 4.599 0.000) 4.599 1.349 ( 0.000 13.845 0.000) 13.845 1.411 ( 0.000 5.596 0.000) 5.596 1.553 ( 0.000 8.103 0.000) 8.103 1.653 ( 0.000 4.358 0.000) 4.358 1.703 ( 0.000 10.341 0.000) 10.341 1.704 ( 0.000 11.712 0.000) 11.712 1.767 ( 0.000 7.719 0.000) 7.719 1.887 ( 0.000 1.117 0.000) 1.117 1.979 ( 0.000 4.313 0.000) 4.313 1.991 ( 0.000 10.589 0.000) 10.589 2.044 ( 0.000 6.097 0.000) 6.097 2.247 ( 0.000 15.876 0.000) 15.876 2.262 ( 0.000 8.623 0.000) 8.623 2.292 ( 0.000 5.341 0.000) 5.341 2.416 ( 0.000 17.593 0.000) 17.593 2.430 ( 0.000 13.646 0.000) 13.646 2.469 ( 0.000 11.598 0.000) 11.598 2.475 ( 0.000 6.587 0.000) 6.587 2.537 ( 0.000 20.569 0.000) 20.569 2.804 ( 0.000 13.520 0.000) 13.520 2.880 ( 0.000 15.159 0.000) 15.159 2.890 ( 0.000 10.622 0.000) 10.622 2.909 ( 0.000 8.233 0.000) 8.233 3.129 ( 0.000 10.518 0.000) 10.518 3.148 ( 0.000 11.526 0.000) 11.526 3.202 ( 0.000 8.867 0.000) 8.867 3.347 ( 0.000 5.871 0.000) 5.871 3.453 ( 0.000 9.720 0.000) 9.720 3.503 ( 0.000 2.523 0.000) 2.523 3.513 ( 0.000 14.819 0.000) 14.819 3.541 ( 0.000 -3.229 0.000) 3.229 3.632 ( 0.000 14.175 0.000) 14.175 3.661 ( 0.000 2.800 0.000) 2.800 3.761 ( 0.000 0.106 0.000) 0.106 3.792 ( 0.000 8.377 0.000) 8.377 3.827 ( 0.000 11.905 0.000) 11.905 3.835 ( 0.000 0.767 0.000) 0.767 3.889 ( 0.000 0.986 0.000) 0.986 3.980 ( 0.000 2.856 0.000) 2.856 4.064 ( 0.000 4.470 0.000) 4.470 4.140 ( 0.000 3.060 0.000) 3.060 4.160 ( 0.000 1.626 0.000) 1.626 4.161 ( 0.000 -0.265 0.000) 0.265 4.183 ( 0.000 5.724 0.000) 5.724 4.225 ( 0.000 2.399 0.000) 2.399 4.246 ( 0.000 3.952 0.000) 3.952 4.274 ( 0.000 2.600 0.000) 2.600 4.313 ( 0.000 4.949 0.000) 4.949 4.347 ( 0.000 0.633 0.000) 0.633 4.397 ( 0.000 5.223 0.000) 5.223 4.426 ( 0.000 0.903 0.000) 0.903 4.447 ( 0.000 4.053 0.000) 4.053 4.460 ( 0.000 -4.269 0.000) 4.269 4.557 ( 0.000 3.486 0.000) 3.486 4.642 ( 0.000 -1.708 0.000) 1.708 4.659 ( 0.000 2.248 0.000) 2.248 4.667 ( 0.000 0.176 0.000) 0.176 4.705 ( 0.000 -3.033 0.000) 3.033 4.746 ( 0.000 7.458 0.000) 7.458 4.797 ( 0.000 6.348 0.000) 6.348 4.911 ( 0.000 0.979 0.000) 0.979 4.999 ( 0.000 0.279 0.000) 0.279 5.070 ( 0.000 -4.491 0.000) 4.491 5.138 ( 0.000 -5.723 0.000) 5.723 5.230 ( 0.000 -5.015 0.000) 5.015 5.361 ( 0.000 -0.065 0.000) 0.065 5.422 ( 0.000 -2.603 0.000) 2.603 5.458 ( 0.000 -4.864 0.000) 4.864 5.485 ( 0.000 1.548 0.000) 1.548 5.504 ( 0.000 -4.949 0.000) 4.949 5.626 ( 0.000 -3.913 0.000) 3.913 5.668 ( 0.000 -10.148 0.000) 10.148 5.673 ( 0.000 -9.622 0.000) 9.622 5.679 ( 0.000 -4.886 0.000) 4.886 5.693 ( 0.000 -5.469 0.000) 5.469 5.809 ( 0.000 -7.866 0.000) 7.866 5.944 ( 0.000 -0.925 0.000) 0.925 5.975 ( 0.000 -6.004 0.000) 6.004 6.022 ( 0.000 -4.624 0.000) 4.624 6.295 ( 0.000 4.152 0.000) 4.152 6.326 ( 0.000 3.961 0.000) 3.961 6.404 ( 0.000 -10.896 0.000) 10.896 6.408 ( 0.000 -14.621 0.000) 14.621 7.870 ( 0.000 -1.813 0.000) 1.813 7.891 ( 0.000 -1.996 0.000) 1.996 8.035 ( 0.000 -7.536 0.000) 7.536 8.055 ( 0.000 -14.871 0.000) 14.871 8.186 ( 0.000 -23.175 0.000) 23.175 8.247 ( 0.000 -19.598 0.000) 19.598 10.549 ( 0.000 8.773 0.000) 8.773 10.577 ( 0.000 2.629 0.000) 2.629 11.119 ( 0.000 22.639 0.000) 22.639 11.201 ( 0.000 -3.010 0.000) 3.010 11.250 ( 0.000 -5.866 0.000) 5.866 11.261 ( 0.000 22.813 0.000) 22.813 12.295 ( 0.000 3.263 0.000) 3.263 12.327 ( 0.000 3.620 0.000) 3.620 13.418 ( 0.000 -4.897 0.000) 4.897 13.429 ( 0.000 -12.656 0.000) 12.656 13.479 ( 0.000 -3.516 0.000) 3.516 13.575 ( 0.000 -9.331 0.000) 9.331 14.610 ( 0.000 0.452 0.000) 0.452 14.621 ( 0.000 1.758 0.000) 1.758 14.799 ( 0.000 4.535 0.000) 4.535 14.886 ( 0.000 3.985 0.000) 3.985======================= Grid point 16 (11/42) =======================q-point: ( 0.20 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 66Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.997 ( 9.348 9.950 0.000) 13.653 1.223 ( -0.638 5.885 0.000) 5.920 1.231 ( -1.559 8.133 0.000) 8.281 1.308 ( -3.312 14.376 0.000) 14.752 1.445 ( 2.331 7.310 0.000) 7.673 1.601 ( -2.690 6.844 0.000) 7.353 1.626 ( -1.689 4.721 0.000) 5.014 1.687 ( -1.886 10.374 0.000) 10.544 1.711 ( -3.968 5.600 0.000) 6.863 1.750 ( 6.460 8.691 0.000) 10.829 1.831 ( 0.043 6.709 0.000) 6.709 1.959 ( 0.062 10.117 0.000) 10.117 2.091 ( 8.433 5.803 0.000) 10.237 2.173 ( 6.718 8.206 0.000) 10.605 2.210 ( -6.362 7.419 0.000) 9.773 2.281 ( 2.411 8.410 0.000) 8.749 2.308 ( 5.259 18.777 0.000) 19.499 2.453 ( 3.752 16.992 0.000) 17.401 2.518 ( -0.790 17.917 0.000) 17.934 2.547 ( 9.169 11.574 0.000) 14.766 2.549 ( 6.794 12.049 0.000) 13.833 2.616 ( 12.779 3.755 0.000) 13.319 2.811 ( 0.956 9.458 0.000) 9.506 2.840 ( -4.073 11.591 0.000) 12.286 2.889 ( -1.845 9.738 0.000) 9.911 2.893 ( 0.068 11.011 0.000) 11.011 3.088 ( -3.700 10.806 0.000) 11.422 3.115 ( -2.835 10.875 0.000) 11.239 3.169 ( -3.532 8.798 0.000) 9.481 3.323 ( -3.053 7.441 0.000) 8.043 3.435 ( -2.807 6.937 0.000) 7.484 3.491 ( -2.228 10.171 0.000) 10.412 3.507 ( -3.051 2.507 0.000) 3.949 3.508 ( 1.770 7.091 0.000) 7.309 3.621 ( -2.710 2.858 0.000) 3.938 3.637 ( 0.201 14.136 0.000) 14.138 3.720 ( -2.779 0.403 0.000) 2.808 3.787 ( -0.610 8.645 0.000) 8.666 3.813 ( -1.263 11.384 0.000) 11.454 3.831 ( -0.765 1.575 0.000) 1.751 3.866 ( -1.805 1.584 0.000) 2.401 3.978 ( -7.696 1.799 0.000) 7.904 3.983 ( -0.031 2.663 0.000) 2.663 4.075 ( -4.460 3.206 0.000) 5.492 4.111 ( -1.571 5.709 0.000) 5.921 4.138 ( -1.791 3.354 0.000) 3.802 4.224 ( -0.088 2.361 0.000) 2.362 4.227 ( 1.967 1.700 0.000) 2.600 4.260 ( -1.239 4.019 0.000) 4.206 4.285 ( 1.483 2.272 0.000) 2.713 4.330 ( 1.893 4.616 0.000) 4.989 4.337 ( -0.988 0.408 0.000) 1.068 4.395 ( 0.370 3.654 0.000) 3.673 4.406 ( -0.961 2.230 0.000) 2.429 4.444 ( -1.721 -2.574 0.000) 3.097 4.447 ( -0.461 2.761 0.000) 2.800 4.511 ( -3.842 4.978 0.000) 6.288 4.643 ( -3.977 4.068 0.000) 5.689 4.652 ( 1.356 -2.206 0.000) 2.589 4.678 ( 1.192 0.933 0.000) 1.514 4.704 ( -2.861 4.712 0.000) 5.513 4.718 ( -0.428 3.689 0.000) 3.713 4.793 ( 5.259 0.008 0.000) 5.259 4.964 ( 1.504 1.451 0.000) 2.090 4.972 ( 0.036 -1.645 0.000) 1.645 5.106 ( -0.674 -6.763 0.000) 6.796 5.184 ( 7.351 -2.866 0.000) 7.890 5.236 ( -0.971 -4.713 0.000) 4.812 5.380 ( 5.254 -2.675 0.000) 5.895 5.392 ( -4.426 -3.610 0.000) 5.711 5.463 ( -2.491 -4.318 0.000) 4.985 5.519 ( 1.543 -1.596 0.000) 2.220 5.589 ( -3.887 -5.224 0.000) 6.512 5.619 ( -4.096 -7.524 0.000) 8.567 5.644 ( 10.220 -2.119 0.000) 10.438 5.660 ( 3.736 -4.924 0.000) 6.180 5.725 ( 2.400 -9.476 0.000) 9.775 5.726 ( 2.732 -4.683 0.000) 5.422 5.782 ( -1.541 -6.926 0.000) 7.095 5.945 ( -5.593 -7.940 0.000) 9.712 5.946 ( 0.691 -3.118 0.000) 3.194 6.042 ( 3.546 -4.026 0.000) 5.365 6.300 ( 0.653 3.920 0.000) 3.974 6.325 ( 0.028 4.577 0.000) 4.577 6.446 ( 3.328 -12.634 0.000) 13.065 6.461 ( 3.856 -15.663 0.000) 16.130 7.874 ( 0.347 -1.789 0.000) 1.822 7.894 ( 0.156 -1.760 0.000) 1.766 8.047 ( 1.152 -8.527 0.000) 8.605 8.071 ( 1.567 -15.522 0.000) 15.601 8.168 ( -1.688 -21.970 0.000) 22.035 8.232 ( -1.494 -18.624 0.000) 18.684 10.536 ( -1.107 8.990 0.000) 9.058 10.559 ( -1.566 3.750 0.000) 4.064 11.110 ( -0.528 23.141 0.000) 23.147 11.208 ( -3.215 18.765 0.000) 19.038 11.211 ( 0.747 -2.969 0.000) 3.061 11.259 ( -0.515 -0.257 0.000) 0.576 12.295 ( 0.086 3.351 0.000) 3.352 12.322 ( -0.531 3.686 0.000) 3.724 13.420 ( 0.245 -5.084 0.000) 5.090 13.434 ( 0.373 -11.645 0.000) 11.651 13.477 ( -0.072 -4.428 0.000) 4.428 13.558 ( -1.503 -9.405 0.000) 9.525 14.609 ( -0.076 0.602 0.000) 0.607 14.616 ( -0.398 1.761 0.000) 1.806 14.808 ( 0.880 4.455 0.000) 4.541 14.878 ( -0.716 4.014 0.000) 4.078======================= Grid point 17 (12/42) =======================q-point: ( 0.40 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 66Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.146 ( 3.777 5.526 0.000) 6.693 1.202 ( -2.363 4.984 0.000) 5.516 1.250 ( 3.156 10.004 0.000) 10.490 1.269 ( 0.548 12.000 0.000) 12.013 1.472 ( -0.091 9.096 0.000) 9.097 1.500 ( -4.316 5.926 0.000) 7.331 1.623 ( 2.128 2.903 0.000) 3.599 1.647 ( -1.105 12.405 0.000) 12.454 1.649 ( -1.696 14.166 0.000) 14.267 1.713 ( -5.259 3.545 0.000) 6.342 1.982 ( 1.893 9.966 0.000) 10.144 1.996 ( 5.491 9.645 0.000) 11.098 2.109 ( -0.003 6.367 0.000) 6.367 2.191 ( -3.275 9.051 0.000) 9.625 2.295 ( 10.233 8.001 0.000) 12.990 2.403 ( 5.001 9.406 0.000) 10.653 2.429 ( 5.197 20.943 0.000) 21.578 2.472 ( -2.837 16.284 0.000) 16.529 2.550 ( 5.660 13.862 0.000) 14.973 2.659 ( -3.768 13.857 0.000) 14.360 2.725 ( 4.291 13.843 0.000) 14.493 2.762 ( 0.063 6.509 0.000) 6.509 2.837 ( 3.762 6.782 0.000) 7.756 2.868 ( 2.413 8.177 0.000) 8.525 2.888 ( 8.770 11.630 0.000) 14.566 2.948 ( 8.315 -2.400 0.000) 8.655 2.961 ( -7.283 16.225 0.000) 17.785 3.050 ( -2.437 9.220 0.000) 9.537 3.098 ( -4.527 1.945 0.000) 4.927 3.181 ( -10.211 7.838 0.000) 12.872 3.379 ( -1.851 7.147 0.000) 7.383 3.399 ( -4.324 2.279 0.000) 4.887 3.485 ( 0.909 11.346 0.000) 11.383 3.531 ( -1.606 5.996 0.000) 6.207 3.596 ( 1.042 9.204 0.000) 9.262 3.626 ( -1.231 12.483 0.000) 12.544 3.708 ( 1.771 3.073 0.000) 3.547 3.769 ( -3.160 8.648 0.000) 9.207 3.773 ( -0.336 9.129 0.000) 9.135 3.814 ( -5.865 4.104 0.000) 7.158 3.816 ( -0.186 2.063 0.000) 2.071 3.831 ( -1.440 2.355 0.000) 2.760 3.988 ( 1.072 3.009 0.000) 3.195 4.026 ( -1.504 3.959 0.000) 4.235 4.074 ( -2.128 3.371 0.000) 3.986 4.088 ( -1.601 5.228 0.000) 5.468 4.234 ( 0.804 3.486 0.000) 3.577 4.240 ( 0.309 3.523 0.000) 3.537 4.264 ( 1.065 1.156 0.000) 1.571 4.292 ( -1.013 0.899 0.000) 1.354 4.327 ( 0.832 1.854 0.000) 2.032 4.367 ( -0.128 3.495 0.000) 3.497 4.388 ( -1.207 -0.200 0.000) 1.223 4.397 ( -0.253 1.616 0.000) 1.636 4.420 ( 0.123 3.338 0.000) 3.340 4.429 ( -1.055 3.238 0.000) 3.406 4.457 ( 0.724 6.604 0.000) 6.644 4.531 ( -5.280 6.681 0.000) 8.515 4.678 ( 0.561 -3.476 0.000) 3.521 4.681 ( -0.033 -1.900 0.000) 1.900 4.717 ( 1.177 4.946 0.000) 5.084 4.719 ( 0.669 5.918 0.000) 5.956 4.885 ( 2.759 -0.303 0.000) 2.775 4.934 ( -2.682 1.038 0.000) 2.876 5.029 ( 5.370 -4.416 0.000) 6.952 5.116 ( -1.221 -7.409 0.000) 7.509 5.244 ( 1.087 -4.466 0.000) 4.596 5.270 ( -0.760 -5.056 0.000) 5.113 5.351 ( 2.296 -2.085 0.000) 3.101 5.390 ( -1.227 -3.919 0.000) 4.106 5.461 ( -0.752 -6.329 0.000) 6.374 5.495 ( -3.670 -6.734 0.000) 7.669 5.552 ( 1.775 -1.723 0.000) 2.474 5.577 ( -0.186 -2.472 0.000) 2.479 5.697 ( 2.328 -3.340 0.000) 4.071 5.746 ( -1.820 -4.821 0.000) 5.153 5.758 ( 1.969 -6.825 0.000) 7.104 5.783 ( 1.338 -2.862 0.000) 3.159 5.813 ( 1.973 -3.665 0.000) 4.163 5.834 ( -3.786 -8.155 0.000) 8.991 6.007 ( 5.070 -8.667 0.000) 10.041 6.076 ( -0.834 -7.127 0.000) 7.176 6.316 ( 0.763 4.700 0.000) 4.762 6.326 ( -0.100 5.205 0.000) 5.205 6.510 ( 2.298 -15.927 0.000) 16.092 6.520 ( 1.394 -17.139 0.000) 17.196 7.883 ( 0.526 -1.703 0.000) 1.782 7.893 ( -0.314 -1.607 0.000) 1.637 8.080 ( 2.041 -13.128 0.000) 13.286 8.120 ( 3.087 -15.458 0.000) 15.764 8.125 ( -2.304 -18.479 0.000) 18.622 8.185 ( -3.021 -16.496 0.000) 16.770 10.517 ( -0.394 8.614 0.000) 8.623 10.527 ( -1.298 6.442 0.000) 6.572 11.110 ( 0.730 24.447 0.000) 24.458 11.144 ( -2.602 24.419 0.000) 24.558 11.227 ( 0.825 -3.617 0.000) 3.710 11.244 ( -0.854 -3.981 0.000) 4.071 12.299 ( 0.329 3.550 0.000) 3.565 12.309 ( -0.607 3.707 0.000) 3.757 13.427 ( 0.467 -5.656 0.000) 5.675 13.436 ( -0.258 -7.653 0.000) 7.657 13.486 ( 1.176 -8.057 0.000) 8.143 13.521 ( -1.980 -9.436 0.000) 9.642 14.608 ( -0.017 0.987 0.000) 0.987 14.609 ( -0.194 1.464 0.000) 1.477 14.831 ( 1.311 4.297 0.000) 4.492 14.858 ( -1.229 4.124 0.000) 4.303======================= Grid point 20 (13/42) =======================q-point: ( 0.00 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 42Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.143 ( 0.000 12.652 0.000) 12.652 1.326 ( 0.000 3.644 0.000) 3.644 1.349 ( 0.000 3.985 0.000) 3.985 1.469 ( 0.000 0.788 0.000) 0.788 1.622 ( 0.000 11.806 0.000) 11.806 1.669 ( 0.000 3.062 0.000) 3.062 1.766 ( 0.000 6.846 0.000) 6.846 1.789 ( 0.000 -2.722 0.000) 2.722 1.808 ( 0.000 0.719 0.000) 0.719 1.977 ( 0.000 16.355 0.000) 16.355 2.013 ( 0.000 12.456 0.000) 12.456 2.130 ( 0.000 9.159 0.000) 9.159 2.137 ( 0.000 3.363 0.000) 3.363 2.162 ( 0.000 6.863 0.000) 6.863 2.244 ( 0.000 -3.303 0.000) 3.303 2.347 ( 0.000 2.064 0.000) 2.064 2.531 ( 0.000 10.582 0.000) 10.582 2.540 ( 0.000 2.516 0.000) 2.516 2.602 ( 0.000 3.174 0.000) 3.174 2.648 ( 0.000 7.169 0.000) 7.169 2.841 ( 0.000 20.178 0.000) 20.178 2.888 ( 0.000 13.808 0.000) 13.808 2.975 ( 0.000 -0.805 0.000) 0.805 3.077 ( 0.000 13.467 0.000) 13.467 3.091 ( 0.000 10.787 0.000) 10.787 3.119 ( 0.000 8.672 0.000) 8.672 3.247 ( 0.000 3.977 0.000) 3.977 3.356 ( 0.000 11.161 0.000) 11.161 3.391 ( 0.000 11.787 0.000) 11.787 3.454 ( 0.000 -3.717 0.000) 3.717 3.535 ( 0.000 10.820 0.000) 10.820 3.588 ( 0.000 2.134 0.000) 2.134 3.603 ( 0.000 6.519 0.000) 6.519 3.743 ( 0.000 -1.720 0.000) 1.720 3.760 ( 0.000 6.484 0.000) 6.484 3.761 ( 0.000 9.444 0.000) 9.444 3.841 ( 0.000 -0.499 0.000) 0.499 3.884 ( 0.000 4.820 0.000) 4.820 3.898 ( 0.000 4.760 0.000) 4.760 3.920 ( 0.000 3.729 0.000) 3.729 4.031 ( 0.000 6.912 0.000) 6.912 4.067 ( 0.000 5.236 0.000) 5.236 4.071 ( 0.000 -6.498 0.000) 6.498 4.166 ( 0.000 6.576 0.000) 6.576 4.201 ( 0.000 3.671 0.000) 3.671 4.203 ( 0.000 2.731 0.000) 2.731 4.296 ( 0.000 3.801 0.000) 3.801 4.306 ( 0.000 6.580 0.000) 6.580 4.324 ( 0.000 2.668 0.000) 2.668 4.339 ( 0.000 7.614 0.000) 7.614 4.356 ( 0.000 0.513 0.000) 0.513 4.373 ( 0.000 2.357 0.000) 2.357 4.437 ( 0.000 -0.011 0.000) 0.011 4.472 ( 0.000 1.785 0.000) 1.785 4.505 ( 0.000 7.257 0.000) 7.257 4.516 ( 0.000 3.064 0.000) 3.064 4.597 ( 0.000 -1.745 0.000) 1.745 4.603 ( 0.000 -1.370 0.000) 1.370 4.638 ( 0.000 -3.099 0.000) 3.099 4.711 ( 0.000 6.770 0.000) 6.770 4.718 ( 0.000 3.904 0.000) 3.904 4.901 ( 0.000 7.168 0.000) 7.168 4.919 ( 0.000 5.762 0.000) 5.762 4.984 ( 0.000 6.091 0.000) 6.091 5.012 ( 0.000 1.138 0.000) 1.138 5.022 ( 0.000 -0.176 0.000) 0.176 5.071 ( 0.000 -0.702 0.000) 0.702 5.169 ( 0.000 -1.156 0.000) 1.156 5.297 ( 0.000 -5.258 0.000) 5.258 5.367 ( 0.000 -4.394 0.000) 4.394 5.370 ( 0.000 -2.717 0.000) 2.717 5.443 ( 0.000 -1.376 0.000) 1.376 5.469 ( 0.000 -9.590 0.000) 9.590 5.469 ( 0.000 -6.752 0.000) 6.752 5.547 ( 0.000 1.316 0.000) 1.316 5.580 ( 0.000 -1.657 0.000) 1.657 5.597 ( 0.000 -3.555 0.000) 3.555 5.608 ( 0.000 -3.606 0.000) 3.606 5.688 ( 0.000 -4.993 0.000) 4.993 5.822 ( 0.000 -7.274 0.000) 7.274 5.932 ( 0.000 -0.627 0.000) 0.627 5.960 ( 0.000 -3.536 0.000) 3.536 6.128 ( 0.000 -14.059 0.000) 14.059 6.188 ( 0.000 -11.090 0.000) 11.090 6.402 ( 0.000 6.637 0.000) 6.637 6.435 ( 0.000 6.995 0.000) 6.995 7.690 ( 0.000 -17.000 0.000) 17.000 7.695 ( 0.000 -18.384 0.000) 18.384 7.882 ( 0.000 -7.263 0.000) 7.263 7.915 ( 0.000 -1.313 0.000) 1.313 7.919 ( 0.000 -2.630 0.000) 2.630 7.934 ( 0.000 -12.357 0.000) 12.357 10.613 ( 0.000 0.600 0.000) 0.600 10.665 ( 0.000 2.966 0.000) 2.966 11.011 ( 0.000 -13.696 0.000) 13.696 11.022 ( 0.000 -14.524 0.000) 14.524 11.528 ( 0.000 19.095 0.000) 19.095 11.644 ( 0.000 16.621 0.000) 16.621 12.458 ( 0.000 8.949 0.000) 8.949 12.459 ( 0.000 6.234 0.000) 6.234 13.229 ( 0.000 -6.182 0.000) 6.182 13.410 ( 0.000 3.869 0.000) 3.869 13.427 ( 0.000 -4.713 0.000) 4.713 13.491 ( 0.000 4.475 0.000) 4.475 14.580 ( 0.000 -3.153 0.000) 3.153 14.621 ( 0.000 -1.322 0.000) 1.322 14.838 ( 0.000 -0.318 0.000) 0.318 14.906 ( 0.000 -1.868 0.000) 1.868======================= Grid point 21 (14/42) =======================q-point: ( 0.20 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 66Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.183 ( 3.053 8.757 0.000) 9.273 1.300 ( -1.638 3.443 0.000) 3.813 1.385 ( 2.814 7.819 0.000) 8.310 1.523 ( 4.324 1.036 0.000) 4.446 1.568 ( -4.127 11.336 0.000) 12.064 1.672 ( -5.231 1.896 0.000) 5.564 1.720 ( -3.964 6.337 0.000) 7.475 1.794 ( 8.330 2.478 0.000) 8.690 1.865 ( 2.266 -1.754 0.000) 2.865 1.969 ( -0.603 16.751 0.000) 16.762 1.979 ( -1.468 13.653 0.000) 13.732 2.129 ( 1.077 7.214 0.000) 7.294 2.204 ( 5.251 6.317 0.000) 8.215 2.289 ( 7.423 4.070 0.000) 8.465 2.324 ( 4.083 2.186 0.000) 4.631 2.370 ( 2.626 2.306 0.000) 3.495 2.472 ( 3.402 3.396 0.000) 4.807 2.641 ( 4.333 1.348 0.000) 4.538 2.660 ( 5.902 4.723 0.000) 7.559 2.710 ( 5.242 6.051 0.000) 8.005 2.838 ( -5.120 7.964 0.000) 9.468 2.897 ( 5.724 18.718 0.000) 19.573 2.957 ( -1.763 5.281 0.000) 5.568 3.022 ( -2.935 12.634 0.000) 12.970 3.091 ( -2.804 8.419 0.000) 8.873 3.113 ( 0.253 10.887 0.000) 10.890 3.209 ( -3.191 4.634 0.000) 5.626 3.318 ( -3.090 10.632 0.000) 11.072 3.362 ( -2.337 9.577 0.000) 9.858 3.456 ( -0.293 -0.825 0.000) 0.875 3.517 ( -4.421 11.205 0.000) 12.046 3.584 ( -0.640 7.812 0.000) 7.838 3.597 ( -0.359 2.604 0.000) 2.629 3.677 ( -4.333 0.358 0.000) 4.347 3.757 ( 1.196 7.733 0.000) 7.825 3.775 ( 0.451 7.407 0.000) 7.421 3.837 ( -0.647 -0.565 0.000) 0.859 3.858 ( -1.470 4.214 0.000) 4.463 3.900 ( 0.122 4.968 0.000) 4.970 3.941 ( 1.169 5.839 0.000) 5.955 3.992 ( -4.965 0.887 0.000) 5.043 4.030 ( -1.218 6.141 0.000) 6.261 4.062 ( -0.886 5.097 0.000) 5.173 4.138 ( -3.020 3.731 0.000) 4.800 4.187 ( -2.115 2.905 0.000) 3.593 4.205 ( 0.683 3.400 0.000) 3.468 4.277 ( -1.755 4.565 0.000) 4.891 4.292 ( -0.561 1.158 0.000) 1.287 4.316 ( -1.407 7.337 0.000) 7.471 4.329 ( -1.380 2.929 0.000) 3.238 4.360 ( 1.225 2.374 0.000) 2.671 4.389 ( 1.009 2.151 0.000) 2.376 4.437 ( 0.044 0.564 0.000) 0.566 4.442 ( -0.742 1.173 0.000) 1.388 4.501 ( -0.466 5.605 0.000) 5.625 4.504 ( -1.049 3.085 0.000) 3.258 4.592 ( -0.078 -2.503 0.000) 2.504 4.637 ( -0.240 -3.038 0.000) 3.048 4.638 ( -0.539 6.762 0.000) 6.784 4.714 ( 3.114 0.091 0.000) 3.115 4.725 ( -0.383 4.054 0.000) 4.072 4.827 ( -4.570 5.830 0.000) 7.407 4.890 ( -0.767 6.317 0.000) 6.364 4.967 ( 0.354 1.300 0.000) 1.348 5.003 ( -4.367 -1.903 0.000) 4.763 5.028 ( 2.495 3.661 0.000) 4.431 5.148 ( 5.772 -0.904 0.000) 5.842 5.179 ( 0.076 -0.994 0.000) 0.997 5.321 ( -3.209 -3.408 0.000) 4.681 5.327 ( 2.094 -2.367 0.000) 3.160 5.380 ( -3.398 -4.917 0.000) 5.977 5.435 ( -2.952 -6.711 0.000) 7.332 5.479 ( 2.394 -5.274 0.000) 5.792 5.536 ( 7.667 -4.519 0.000) 8.900 5.539 ( -0.122 -0.112 0.000) 0.166 5.607 ( 1.953 -1.807 0.000) 2.660 5.619 ( 4.128 -3.899 0.000) 5.678 5.653 ( 2.186 -2.731 0.000) 3.498 5.688 ( 1.429 -3.227 0.000) 3.529 5.804 ( -2.668 -6.338 0.000) 6.876 5.911 ( -1.923 -1.011 0.000) 2.173 5.955 ( -0.057 -4.682 0.000) 4.682 6.163 ( 2.593 -14.659 0.000) 14.887 6.204 ( 1.156 -12.113 0.000) 12.168 6.408 ( 0.617 6.537 0.000) 6.566 6.438 ( 0.216 6.847 0.000) 6.851 7.696 ( 0.136 -18.141 0.000) 18.142 7.696 ( 0.406 -17.457 0.000) 17.461 7.885 ( 0.295 -7.641 0.000) 7.646 7.916 ( 0.042 -1.331 0.000) 1.332 7.916 ( -0.243 -3.538 0.000) 3.546 7.932 ( -0.213 -10.845 0.000) 10.847 10.612 ( -0.050 1.154 0.000) 1.155 10.654 ( -0.976 3.032 0.000) 3.185 11.015 ( 0.377 -13.846 0.000) 13.851 11.024 ( 0.193 -14.488 0.000) 14.489 11.529 ( 0.181 19.305 0.000) 19.306 11.621 ( -2.038 17.468 0.000) 17.586 12.457 ( -0.026 8.753 0.000) 8.753 12.459 ( -0.051 6.553 0.000) 6.553 13.242 ( 1.303 -5.915 0.000) 6.057 13.381 ( -2.133 -1.547 0.000) 2.635 13.439 ( 0.582 0.725 0.000) 0.929 13.483 ( -0.708 4.376 0.000) 4.433 14.583 ( 0.223 -2.966 0.000) 2.974 14.615 ( -0.584 -1.450 0.000) 1.563 14.845 ( 0.669 -0.492 0.000) 0.831 14.900 ( -0.570 -1.742 0.000) 1.833======================= Grid point 22 (15/42) =======================q-point: ( 0.40 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 66Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.239 ( 2.231 4.494 0.000) 5.017 1.273 ( -1.236 3.315 0.000) 3.538 1.446 ( 2.788 9.750 0.000) 10.141 1.494 ( -2.611 10.525 0.000) 10.844 1.599 ( -1.349 4.172 0.000) 4.385 1.621 ( 2.221 -0.770 0.000) 2.351 1.637 ( -0.483 7.668 0.000) 7.683 1.750 ( -5.996 1.197 0.000) 6.114 1.947 ( 0.375 15.601 0.000) 15.606 1.957 ( -0.593 16.987 0.000) 16.997 2.136 ( 13.788 3.136 0.000) 14.140 2.159 ( 1.896 8.210 0.000) 8.426 2.212 ( -3.020 6.882 0.000) 7.515 2.317 ( -3.725 5.160 0.000) 6.363 2.423 ( 7.387 5.456 0.000) 9.184 2.508 ( 6.920 1.997 0.000) 7.202 2.655 ( -7.788 2.209 0.000) 8.095 2.665 ( 3.286 3.366 0.000) 4.704 2.730 ( 7.291 -4.162 0.000) 8.396 2.804 ( 6.640 -4.557 0.000) 8.053 2.841 ( 5.195 6.382 0.000) 8.229 2.905 ( -3.452 11.534 0.000) 12.040 2.959 ( 1.560 9.740 0.000) 9.865 3.012 ( -4.667 11.937 0.000) 12.817 3.074 ( -1.234 6.105 0.000) 6.228 3.117 ( -5.722 -0.157 0.000) 5.724 3.126 ( 9.810 17.946 0.000) 20.452 3.260 ( -1.150 12.417 0.000) 12.470 3.298 ( -3.705 12.418 0.000) 12.959 3.363 ( -10.527 13.494 0.000) 17.114 3.451 ( 0.680 4.097 0.000) 4.153 3.504 ( -4.524 5.393 0.000) 7.039 3.608 ( 0.404 4.140 0.000) 4.160 3.619 ( -1.159 1.028 0.000) 1.549 3.788 ( 0.978 6.424 0.000) 6.498 3.810 ( -0.176 2.862 0.000) 2.867 3.816 ( 1.936 7.661 0.000) 7.902 3.842 ( 0.026 6.973 0.000) 6.973 3.894 ( -0.805 4.843 0.000) 4.910 3.910 ( -2.667 5.415 0.000) 6.037 3.964 ( 1.279 7.158 0.000) 7.271 3.997 ( -1.948 7.129 0.000) 7.391 4.038 ( -0.587 2.417 0.000) 2.487 4.068 ( -3.397 1.346 0.000) 3.654 4.146 ( 0.207 4.769 0.000) 4.774 4.190 ( -2.809 5.949 0.000) 6.578 4.272 ( 1.323 0.873 0.000) 1.585 4.279 ( -0.404 0.512 0.000) 0.652 4.292 ( -1.332 2.138 0.000) 2.519 4.298 ( -0.667 3.136 0.000) 3.207 4.397 ( 2.403 4.287 0.000) 4.914 4.412 ( 1.276 1.901 0.000) 2.290 4.434 ( -0.575 2.263 0.000) 2.335 4.441 ( -0.541 3.437 0.000) 3.479 4.480 ( -1.383 3.350 0.000) 3.624 4.482 ( -0.932 2.068 0.000) 2.269 4.598 ( 0.842 -2.993 0.000) 3.109 4.624 ( -1.109 -3.566 0.000) 3.734 4.624 ( 0.928 8.601 0.000) 8.651 4.670 ( -3.403 7.467 0.000) 8.206 4.793 ( 2.613 -0.920 0.000) 2.770 4.804 ( 0.645 2.568 0.000) 2.648 4.887 ( 0.791 3.563 0.000) 3.649 4.926 ( -2.897 -0.829 0.000) 3.014 5.006 ( 3.012 1.809 0.000) 3.513 5.057 ( -0.735 1.992 0.000) 2.123 5.184 ( 0.274 -1.758 0.000) 1.779 5.191 ( -0.506 -3.044 0.000) 3.085 5.307 ( 1.433 -2.617 0.000) 2.983 5.317 ( -0.107 -3.496 0.000) 3.498 5.339 ( -1.486 -5.372 0.000) 5.573 5.364 ( -3.538 -5.412 0.000) 6.466 5.526 ( 1.869 -0.878 0.000) 2.065 5.541 ( 0.070 -0.961 0.000) 0.963 5.622 ( 2.390 -4.735 0.000) 5.304 5.652 ( 2.939 -1.694 0.000) 3.392 5.658 ( -0.932 -3.280 0.000) 3.410 5.721 ( -3.319 -2.713 0.000) 4.287 5.765 ( 3.241 -1.456 0.000) 3.553 5.780 ( 6.451 -3.177 0.000) 7.191 5.867 ( -1.104 -4.419 0.000) 4.555 5.931 ( -3.098 -7.188 0.000) 7.827 6.208 ( 1.501 -15.239 0.000) 15.313 6.220 ( 0.230 -14.098 0.000) 14.100 6.426 ( 0.941 6.422 0.000) 6.491 6.439 ( -0.247 6.519 0.000) 6.524 7.699 ( 0.226 -18.020 0.000) 18.021 7.702 ( 0.058 -17.766 0.000) 17.766 7.896 ( 0.783 -8.658 0.000) 8.694 7.910 ( -0.448 -6.268 0.000) 6.284 7.917 ( 0.149 -1.827 0.000) 1.833 7.924 ( -0.514 -6.428 0.000) 6.448 10.615 ( 0.455 2.258 0.000) 2.303 10.631 ( -1.081 2.955 0.000) 3.147 11.023 ( 0.354 -14.159 0.000) 14.163 11.027 ( -0.012 -14.389 0.000) 14.389 11.541 ( 1.059 19.506 0.000) 19.535 11.574 ( -2.180 18.902 0.000) 19.027 12.457 ( -0.006 8.178 0.000) 8.178 12.457 ( -0.044 7.336 0.000) 7.336 13.280 ( 2.312 -5.180 0.000) 5.673 13.331 ( -2.651 -3.952 0.000) 4.759 13.450 ( 0.630 3.069 0.000) 3.133 13.466 ( -0.884 4.010 0.000) 4.106 14.590 ( 0.467 -2.479 0.000) 2.522 14.601 ( -0.663 -1.884 0.000) 1.997 14.863 ( 1.008 -0.913 0.000) 1.360 14.884 ( -0.957 -1.389 0.000) 1.687======================= Grid point 25 (16/42) =======================q-point: ( 0.00 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 42Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.352 ( 0.000 8.440 0.000) 8.440 1.388 ( 0.000 2.712 0.000) 2.712 1.414 ( 0.000 2.574 0.000) 2.574 1.465 ( 0.000 -0.799 0.000) 0.799 1.667 ( 0.000 -1.933 0.000) 1.933 1.720 ( 0.000 -3.697 0.000) 3.697 1.796 ( 0.000 6.583 0.000) 6.583 1.826 ( 0.000 1.604 0.000) 1.604 1.885 ( 0.000 4.705 0.000) 4.705 2.127 ( 0.000 -6.296 0.000) 6.296 2.178 ( 0.000 1.389 0.000) 1.389 2.239 ( 0.000 3.283 0.000) 3.283 2.281 ( 0.000 14.112 0.000) 14.112 2.322 ( 0.000 16.419 0.000) 16.419 2.336 ( 0.000 9.729 0.000) 9.729 2.384 ( 0.000 2.500 0.000) 2.500 2.597 ( 0.000 4.161 0.000) 4.161 2.632 ( 0.000 0.932 0.000) 0.932 2.655 ( 0.000 1.755 0.000) 1.755 2.709 ( 0.000 -0.306 0.000) 0.306 2.924 ( 0.000 -3.061 0.000) 3.061 3.026 ( 0.000 0.066 0.000) 0.066 3.076 ( 0.000 2.883 0.000) 2.883 3.229 ( 0.000 3.304 0.000) 3.304 3.303 ( 0.000 9.545 0.000) 9.545 3.315 ( 0.000 12.074 0.000) 12.074 3.337 ( 0.000 5.189 0.000) 5.189 3.446 ( 0.000 2.509 0.000) 2.509 3.563 ( 0.000 -4.557 0.000) 4.557 3.579 ( 0.000 11.290 0.000) 11.290 3.629 ( 0.000 6.626 0.000) 6.626 3.677 ( 0.000 4.389 0.000) 4.389 3.703 ( 0.000 -2.218 0.000) 2.218 3.716 ( 0.000 0.781 0.000) 0.781 3.719 ( 0.000 4.470 0.000) 4.470 3.846 ( 0.000 0.465 0.000) 0.465 3.894 ( 0.000 1.652 0.000) 1.652 3.917 ( 0.000 5.351 0.000) 5.351 3.979 ( 0.000 1.238 0.000) 1.238 4.031 ( 0.000 4.960 0.000) 4.960 4.036 ( 0.000 3.496 0.000) 3.496 4.099 ( 0.000 0.932 0.000) 0.932 4.117 ( 0.000 1.090 0.000) 1.090 4.266 ( 0.000 3.492 0.000) 3.492 4.281 ( 0.000 2.437 0.000) 2.437 4.306 ( 0.000 5.398 0.000) 5.398 4.323 ( 0.000 0.304 0.000) 0.304 4.339 ( 0.000 -2.228 0.000) 2.228 4.369 ( 0.000 1.650 0.000) 1.650 4.395 ( 0.000 -0.739 0.000) 0.739 4.416 ( 0.000 2.630 0.000) 2.630 4.428 ( 0.000 0.027 0.000) 0.027 4.440 ( 0.000 2.058 0.000) 2.058 4.555 ( 0.000 0.931 0.000) 0.931 4.556 ( 0.000 -1.031 0.000) 1.031 4.561 ( 0.000 0.308 0.000) 0.308 4.586 ( 0.000 -0.602 0.000) 0.602 4.595 ( 0.000 8.880 0.000) 8.880 4.709 ( 0.000 11.724 0.000) 11.724 4.789 ( 0.000 1.846 0.000) 1.846 4.861 ( 0.000 6.129 0.000) 6.129 4.955 ( 0.000 -0.990 0.000) 0.990 5.008 ( 0.000 3.436 0.000) 3.436 5.059 ( 0.000 3.334 0.000) 3.334 5.073 ( 0.000 4.532 0.000) 4.532 5.077 ( 0.000 1.935 0.000) 1.935 5.112 ( 0.000 4.229 0.000) 4.229 5.172 ( 0.000 0.190 0.000) 0.190 5.218 ( 0.000 -1.864 0.000) 1.864 5.300 ( 0.000 -1.937 0.000) 1.937 5.312 ( 0.000 -3.803 0.000) 3.803 5.335 ( 0.000 -2.328 0.000) 2.328 5.385 ( 0.000 -1.346 0.000) 1.346 5.435 ( 0.000 0.100 0.000) 0.100 5.532 ( 0.000 -4.476 0.000) 4.476 5.544 ( 0.000 -1.831 0.000) 1.831 5.556 ( 0.000 -0.943 0.000) 0.943 5.577 ( 0.000 -1.750 0.000) 1.750 5.621 ( 0.000 -0.078 0.000) 0.078 5.717 ( 0.000 -3.744 0.000) 3.744 5.886 ( 0.000 -3.859 0.000) 3.859 5.886 ( 0.000 -10.096 0.000) 10.096 5.917 ( 0.000 -0.958 0.000) 0.958 6.000 ( 0.000 -7.734 0.000) 7.734 6.556 ( 0.000 9.735 0.000) 9.735 6.594 ( 0.000 9.806 0.000) 9.806 7.355 ( 0.000 -15.952 0.000) 15.952 7.364 ( 0.000 -16.284 0.000) 16.284 7.778 ( 0.000 -4.036 0.000) 4.036 7.784 ( 0.000 -2.652 0.000) 2.652 7.882 ( 0.000 -2.518 0.000) 2.518 7.883 ( 0.000 -2.449 0.000) 2.449 10.598 ( 0.000 -1.738 0.000) 1.738 10.670 ( 0.000 -1.854 0.000) 1.854 10.759 ( 0.000 -11.116 0.000) 11.116 10.770 ( 0.000 -10.525 0.000) 10.525 11.846 ( 0.000 14.155 0.000) 14.155 11.913 ( 0.000 11.959 0.000) 11.959 12.478 ( 0.000 -4.518 0.000) 4.518 12.490 ( 0.000 -5.950 0.000) 5.950 13.270 ( 0.000 9.864 0.000) 9.864 13.428 ( 0.000 4.433 0.000) 4.433 13.526 ( 0.000 6.513 0.000) 6.513 13.612 ( 0.000 6.344 0.000) 6.344 14.514 ( 0.000 -2.721 0.000) 2.721 14.592 ( 0.000 -0.979 0.000) 0.979 14.794 ( 0.000 -4.027 0.000) 4.027 14.820 ( 0.000 -6.723 0.000) 6.723======================= Grid point 26 (17/42) =======================q-point: ( 0.20 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 66Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.323 ( -0.648 5.831 0.000) 5.867 1.363 ( -1.456 3.085 0.000) 3.412 1.516 ( 3.718 -1.358 0.000) 3.958 1.518 ( 5.296 4.644 0.000) 7.044 1.701 ( -2.073 1.501 0.000) 2.560 1.744 ( -3.966 7.066 0.000) 8.102 1.796 ( 12.850 -1.504 0.000) 12.937 1.828 ( -0.386 -0.467 0.000) 0.606 1.834 ( -4.060 4.682 0.000) 6.197 2.163 ( 4.776 -2.582 0.000) 5.429 2.229 ( 3.757 3.670 0.000) 5.252 2.286 ( 1.161 11.363 0.000) 11.422 2.303 ( 2.520 9.683 0.000) 10.005 2.356 ( 5.487 5.765 0.000) 7.959 2.394 ( 4.307 8.168 0.000) 9.234 2.402 ( 1.755 2.780 0.000) 3.287 2.548 ( -2.542 4.055 0.000) 4.786 2.644 ( 1.227 0.102 0.000) 1.231 2.686 ( 1.653 -0.660 0.000) 1.780 2.790 ( 6.345 0.872 0.000) 6.404 2.846 ( -7.158 -2.364 0.000) 7.538 3.031 ( 0.034 -2.121 0.000) 2.121 3.107 ( 2.082 2.719 0.000) 3.425 3.189 ( -3.688 3.551 0.000) 5.120 3.275 ( -0.833 11.450 0.000) 11.481 3.314 ( -0.695 9.523 0.000) 9.548 3.330 ( -1.136 6.439 0.000) 6.539 3.432 ( -1.226 2.013 0.000) 2.357 3.518 ( -4.051 2.433 0.000) 4.725 3.571 ( -0.359 10.812 0.000) 10.818 3.593 ( -1.716 0.818 0.000) 1.901 3.665 ( -1.881 3.225 0.000) 3.733 3.682 ( -2.312 3.360 0.000) 4.079 3.710 ( 0.584 0.900 0.000) 1.073 3.794 ( 5.301 4.534 0.000) 6.975 3.854 ( 0.851 0.449 0.000) 0.962 3.888 ( -0.352 2.560 0.000) 2.584 3.904 ( -0.905 5.885 0.000) 5.954 4.007 ( 0.263 4.004 0.000) 4.013 4.015 ( 0.827 0.567 0.000) 1.003 4.022 ( -1.524 3.596 0.000) 3.905 4.087 ( -1.279 0.348 0.000) 1.326 4.122 ( -0.982 1.529 0.000) 1.817 4.230 ( -3.232 4.310 0.000) 5.387 4.248 ( -0.346 1.273 0.000) 1.319 4.270 ( -3.417 4.291 0.000) 5.485 4.313 ( -0.624 0.947 0.000) 1.134 4.346 ( -1.393 -0.086 0.000) 1.396 4.390 ( -1.296 4.430 0.000) 4.615 4.400 ( -0.128 -1.696 0.000) 1.701 4.413 ( 2.451 2.071 0.000) 3.209 4.417 ( -0.353 -1.475 0.000) 1.517 4.430 ( -0.331 -0.086 0.000) 0.342 4.496 ( -4.177 8.335 0.000) 9.323 4.523 ( -1.268 -1.168 0.000) 1.724 4.552 ( -0.450 1.235 0.000) 1.315 4.585 ( -0.341 -0.931 0.000) 0.991 4.662 ( 3.006 1.623 0.000) 3.416 4.702 ( -0.698 8.708 0.000) 8.736 4.792 ( 0.272 1.000 0.000) 1.036 4.829 ( -2.358 6.987 0.000) 7.374 4.907 ( -6.998 3.411 0.000) 7.785 4.952 ( 0.489 0.913 0.000) 1.036 5.000 ( -3.611 1.473 0.000) 3.900 5.026 ( 0.513 3.683 0.000) 3.718 5.102 ( 1.124 1.779 0.000) 2.105 5.150 ( 2.422 0.882 0.000) 2.578 5.193 ( 0.335 2.303 0.000) 2.327 5.271 ( -2.102 -1.598 0.000) 2.641 5.294 ( 1.589 -0.941 0.000) 1.847 5.298 ( -2.740 -2.459 0.000) 3.682 5.354 ( -2.167 -1.681 0.000) 2.742 5.427 ( 6.300 -0.609 0.000) 6.330 5.477 ( 6.813 -1.981 0.000) 7.095 5.538 ( 1.123 -0.492 0.000) 1.226 5.551 ( 0.877 -2.174 0.000) 2.344 5.589 ( 2.964 -0.936 0.000) 3.108 5.615 ( 0.191 -1.356 0.000) 1.370 5.643 ( 4.283 -1.633 0.000) 4.583 5.720 ( -0.399 -2.348 0.000) 2.381 5.864 ( -1.353 -5.066 0.000) 5.243 5.893 ( -2.208 -0.934 0.000) 2.398 5.909 ( 1.243 -10.585 0.000) 10.658 5.997 ( -0.458 -8.619 0.000) 8.631 6.562 ( 0.540 9.745 0.000) 9.760 6.594 ( -0.058 9.707 0.000) 9.707 7.358 ( 0.274 -15.938 0.000) 15.941 7.367 ( 0.205 -16.305 0.000) 16.306 7.778 ( 0.017 -3.924 0.000) 3.924 7.782 ( -0.148 -2.736 0.000) 2.740 7.883 ( 0.027 -2.529 0.000) 2.529 7.883 ( 0.022 -2.476 0.000) 2.476 10.603 ( 0.458 -1.634 0.000) 1.697 10.660 ( -0.869 -1.769 0.000) 1.971 10.762 ( 0.266 -11.112 0.000) 11.115 10.772 ( 0.123 -10.606 0.000) 10.607 11.849 ( 0.271 14.145 0.000) 14.147 11.902 ( -0.959 12.399 0.000) 12.436 12.479 ( 0.098 -4.657 0.000) 4.658 12.489 ( -0.118 -5.815 0.000) 5.816 13.282 ( 1.166 9.458 0.000) 9.529 13.406 ( -1.891 5.299 0.000) 5.626 13.538 ( 0.967 6.265 0.000) 6.340 13.604 ( -0.792 6.359 0.000) 6.408 14.520 ( 0.596 -2.529 0.000) 2.598 14.583 ( -0.866 -1.098 0.000) 1.398 14.796 ( 0.247 -4.321 0.000) 4.328 14.818 ( -0.241 -6.497 0.000) 6.501======================= Grid point 27 (18/42) =======================q-point: ( 0.40 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 66Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.325 ( 0.591 4.575 0.000) 4.613 1.340 ( -0.851 3.783 0.000) 3.878 1.585 ( 2.412 -2.756 0.000) 3.662 1.587 ( 1.961 1.657 0.000) 2.567 1.661 ( -1.236 4.801 0.000) 4.958 1.673 ( -2.494 7.673 0.000) 8.068 1.763 ( -1.855 5.090 0.000) 5.418 1.781 ( -2.925 2.308 0.000) 3.726 2.122 ( 15.298 0.631 0.000) 15.311 2.261 ( 3.094 11.612 0.000) 12.017 2.272 ( -1.722 10.914 0.000) 11.049 2.289 ( 1.215 8.743 0.000) 8.827 2.366 ( 1.753 8.058 0.000) 8.247 2.425 ( -1.508 6.335 0.000) 6.512 2.498 ( 6.194 -1.621 0.000) 6.403 2.501 ( 5.515 2.111 0.000) 5.905 2.554 ( 4.435 -6.970 0.000) 8.261 2.658 ( -6.998 -0.195 0.000) 7.001 2.679 ( -2.201 -0.464 0.000) 2.249 2.680 ( -1.173 -6.101 0.000) 6.213 2.924 ( 5.974 -1.562 0.000) 6.175 3.014 ( -2.237 -6.530 0.000) 6.903 3.101 ( -3.310 5.790 0.000) 6.669 3.114 ( -1.769 3.616 0.000) 4.025 3.234 ( -1.142 10.926 0.000) 10.986 3.278 ( -3.566 10.898 0.000) 11.467 3.375 ( 4.621 5.798 0.000) 7.414 3.428 ( 2.233 4.815 0.000) 5.308 3.442 ( -3.174 3.620 0.000) 4.814 3.517 ( -5.108 2.274 0.000) 5.591 3.594 ( 3.273 10.828 0.000) 11.312 3.639 ( -0.696 7.940 0.000) 7.971 3.656 ( 0.095 5.245 0.000) 5.246 3.706 ( -2.520 4.721 0.000) 5.351 3.877 ( 1.724 -0.072 0.000) 1.725 3.881 ( 0.211 1.109 0.000) 1.129 3.886 ( 1.667 2.423 0.000) 2.942 3.893 ( 0.860 7.522 0.000) 7.571 3.977 ( -2.018 1.825 0.000) 2.721 3.994 ( -1.423 4.287 0.000) 4.517 4.031 ( -0.477 -1.189 0.000) 1.281 4.058 ( -1.712 0.130 0.000) 1.717 4.092 ( 0.078 2.851 0.000) 2.853 4.130 ( -4.570 4.139 0.000) 6.166 4.237 ( 0.825 2.806 0.000) 2.924 4.271 ( 0.088 1.060 0.000) 1.064 4.307 ( 0.473 2.360 0.000) 2.407 4.310 ( -0.459 2.444 0.000) 2.487 4.342 ( -1.992 3.721 0.000) 4.220 4.367 ( -3.080 1.345 0.000) 3.361 4.421 ( 0.056 -0.204 0.000) 0.212 4.424 ( 0.065 0.105 0.000) 0.123 4.446 ( 0.470 0.598 0.000) 0.760 4.462 ( 0.370 0.026 0.000) 0.371 4.527 ( 1.202 -1.569 0.000) 1.976 4.553 ( 0.613 1.906 0.000) 2.002 4.565 ( -0.648 0.668 0.000) 0.930 4.623 ( -3.993 7.503 0.000) 8.499 4.746 ( 2.653 -2.476 0.000) 3.629 4.787 ( -1.432 -2.654 0.000) 3.016 4.801 ( -0.196 7.666 0.000) 7.669 4.813 ( -1.618 6.582 0.000) 6.778 4.965 ( -0.383 2.701 0.000) 2.728 4.966 ( 0.119 2.729 0.000) 2.731 5.065 ( 3.080 3.678 0.000) 4.797 5.113 ( -0.499 1.613 0.000) 1.688 5.159 ( -0.506 0.116 0.000) 0.520 5.173 ( -2.219 1.776 0.000) 2.843 5.251 ( 0.276 -3.196 0.000) 3.207 5.262 ( -0.043 -1.999 0.000) 2.000 5.288 ( -0.835 -0.370 0.000) 0.914 5.311 ( -2.083 -0.391 0.000) 2.119 5.523 ( 2.878 0.635 0.000) 2.947 5.547 ( -0.286 1.549 0.000) 1.576 5.569 ( 2.765 -1.297 0.000) 3.054 5.620 ( -0.980 -1.144 0.000) 1.506 5.627 ( 3.927 -1.056 0.000) 4.067 5.688 ( -2.200 -0.771 0.000) 2.331 5.694 ( 7.216 -4.220 0.000) 8.359 5.736 ( 4.538 -1.713 0.000) 4.851 5.815 ( -3.887 -4.743 0.000) 6.132 5.830 ( -3.953 -0.938 0.000) 4.063 5.940 ( 1.855 -11.989 0.000) 12.132 5.977 ( -1.524 -10.537 0.000) 10.646 6.576 ( 0.801 9.628 0.000) 9.662 6.590 ( -0.436 9.562 0.000) 9.572 7.364 ( 0.338 -16.025 0.000) 16.028 7.369 ( -0.052 -16.227 0.000) 16.227 7.778 ( 0.024 -3.558 0.000) 3.559 7.779 ( -0.105 -3.061 0.000) 3.063 7.883 ( 0.026 -2.541 0.000) 2.541 7.883 ( 0.003 -2.522 0.000) 2.522 10.617 ( 0.911 -1.496 0.000) 1.752 10.639 ( -1.142 -1.567 0.000) 1.939 10.768 ( 0.295 -11.040 0.000) 11.044 10.773 ( -0.078 -10.837 0.000) 10.837 11.859 ( 0.750 13.940 0.000) 13.960 11.879 ( -1.173 13.293 0.000) 13.344 12.482 ( 0.171 -5.018 0.000) 5.021 12.486 ( -0.183 -5.460 0.000) 5.463 13.315 ( 2.036 8.344 0.000) 8.589 13.361 ( -2.362 6.823 0.000) 7.221 13.560 ( 1.134 6.240 0.000) 6.342 13.583 ( -1.149 6.340 0.000) 6.444 14.537 ( 1.056 -2.040 0.000) 2.297 14.561 ( -1.213 -1.481 0.000) 1.915 14.803 ( 0.381 -5.047 0.000) 5.061 14.811 ( -0.382 -5.875 0.000) 5.888======================= Grid point 30 (19/42) =======================q-point: ( 0.00 0.46 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 42Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.427 ( 0.000 1.421 0.000) 1.421 1.445 ( 0.000 1.429 0.000) 1.429 1.446 ( 0.000 0.821 0.000) 0.821 1.448 ( 0.000 -0.892 0.000) 0.892 1.648 ( 0.000 0.324 0.000) 0.324 1.667 ( 0.000 -1.672 0.000) 1.672 1.880 ( 0.000 4.464 0.000) 4.464 1.888 ( 0.000 3.300 0.000) 3.300 1.926 ( 0.000 -0.351 0.000) 0.351 1.995 ( 0.000 -6.942 0.000) 6.942 2.211 ( 0.000 2.204 0.000) 2.204 2.250 ( 0.000 -1.230 0.000) 1.230 2.457 ( 0.000 4.848 0.000) 4.848 2.507 ( 0.000 8.325 0.000) 8.325 2.513 ( 0.000 8.184 0.000) 8.184 2.532 ( 0.000 -0.132 0.000) 0.132 2.622 ( 0.000 -4.163 0.000) 4.163 2.641 ( 0.000 -4.472 0.000) 4.472 2.727 ( 0.000 11.995 0.000) 11.995 2.753 ( 0.000 10.540 0.000) 10.540 2.932 ( 0.000 -8.216 0.000) 8.216 2.933 ( 0.000 6.147 0.000) 6.147 2.981 ( 0.000 -10.594 0.000) 10.594 3.156 ( 0.000 -12.672 0.000) 12.672 3.417 ( 0.000 2.380 0.000) 2.380 3.428 ( 0.000 3.508 0.000) 3.508 3.435 ( 0.000 -1.407 0.000) 1.407 3.457 ( 0.000 0.192 0.000) 0.192 3.576 ( 0.000 12.528 0.000) 12.528 3.699 ( 0.000 2.531 0.000) 2.531 3.726 ( 0.000 0.286 0.000) 0.286 3.739 ( 0.000 0.894 0.000) 0.894 3.776 ( 0.000 2.362 0.000) 2.362 3.784 ( 0.000 4.061 0.000) 4.061 3.785 ( 0.000 3.035 0.000) 3.035 3.825 ( 0.000 -1.304 0.000) 1.304 3.942 ( 0.000 1.679 0.000) 1.679 3.943 ( 0.000 -1.955 0.000) 1.955 3.981 ( 0.000 3.049 0.000) 3.049 4.066 ( 0.000 -4.258 0.000) 4.258 4.097 ( 0.000 2.035 0.000) 2.035 4.127 ( 0.000 -0.718 0.000) 0.718 4.193 ( 0.000 10.148 0.000) 10.148 4.276 ( 0.000 -1.468 0.000) 1.468 4.279 ( 0.000 -2.465 0.000) 2.465 4.304 ( 0.000 -0.042 0.000) 0.042 4.318 ( 0.000 0.920 0.000) 0.920 4.334 ( 0.000 -2.956 0.000) 2.956 4.369 ( 0.000 0.034 0.000) 0.034 4.403 ( 0.000 2.017 0.000) 2.017 4.425 ( 0.000 -3.205 0.000) 3.205 4.429 ( 0.000 -0.323 0.000) 0.323 4.503 ( 0.000 3.012 0.000) 3.012 4.536 ( 0.000 0.414 0.000) 0.414 4.547 ( 0.000 -0.219 0.000) 0.219 4.550 ( 0.000 -1.739 0.000) 1.739 4.641 ( 0.000 5.695 0.000) 5.695 4.754 ( 0.000 -4.903 0.000) 4.903 4.788 ( 0.000 8.455 0.000) 8.455 4.885 ( 0.000 0.744 0.000) 0.744 4.921 ( 0.000 3.477 0.000) 3.477 4.944 ( 0.000 0.461 0.000) 0.461 5.061 ( 0.000 2.443 0.000) 2.443 5.104 ( 0.000 0.451 0.000) 0.451 5.111 ( 0.000 2.044 0.000) 2.044 5.132 ( 0.000 -0.520 0.000) 0.520 5.133 ( 0.000 1.028 0.000) 1.028 5.192 ( 0.000 3.099 0.000) 3.099 5.216 ( 0.000 -5.788 0.000) 5.788 5.218 ( 0.000 0.214 0.000) 0.214 5.314 ( 0.000 2.925 0.000) 2.925 5.368 ( 0.000 -1.741 0.000) 1.741 5.372 ( 0.000 3.440 0.000) 3.440 5.424 ( 0.000 -1.658 0.000) 1.658 5.463 ( 0.000 -1.593 0.000) 1.593 5.493 ( 0.000 -4.453 0.000) 4.453 5.530 ( 0.000 0.207 0.000) 0.207 5.541 ( 0.000 -0.719 0.000) 0.719 5.634 ( 0.000 -0.122 0.000) 0.122 5.655 ( 0.000 -2.638 0.000) 2.638 5.788 ( 0.000 0.033 0.000) 0.033 5.823 ( 0.000 -2.629 0.000) 2.629 5.899 ( 0.000 -0.643 0.000) 0.643 5.907 ( 0.000 -2.067 0.000) 2.067 6.783 ( 0.000 13.577 0.000) 13.577 6.816 ( 0.000 12.846 0.000) 12.846 7.063 ( 0.000 -15.100 0.000) 15.100 7.073 ( 0.000 -13.728 0.000) 13.728 7.760 ( 0.000 1.639 0.000) 1.639 7.775 ( 0.000 1.434 0.000) 1.434 7.818 ( 0.000 -3.749 0.000) 3.749 7.825 ( 0.000 -3.231 0.000) 3.231 10.570 ( 0.000 -0.470 0.000) 0.470 10.606 ( 0.000 -4.679 0.000) 4.679 10.626 ( 0.000 -1.729 0.000) 1.729 10.636 ( 0.000 -3.379 0.000) 3.379 12.091 ( 0.000 11.716 0.000) 11.716 12.127 ( 0.000 10.655 0.000) 10.655 12.310 ( 0.000 -11.010 0.000) 11.010 12.327 ( 0.000 -9.853 0.000) 9.853 13.502 ( 0.000 11.786 0.000) 11.786 13.542 ( 0.000 5.781 0.000) 5.781 13.602 ( 0.000 0.408 0.000) 0.408 13.658 ( 0.000 -3.069 0.000) 3.069 14.523 ( 0.000 4.475 0.000) 4.475 14.609 ( 0.000 3.004 0.000) 3.004 14.664 ( 0.000 -8.780 0.000) 8.780 14.697 ( 0.000 -5.474 0.000) 5.474======================= Grid point 31 (20/42) =======================q-point: ( 0.20 0.46 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 66Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.421 ( -0.255 4.759 0.000) 4.766 1.421 ( -0.128 3.007 0.000) 3.009 1.477 ( 1.986 -2.602 0.000) 3.273 1.512 ( 2.085 -4.124 0.000) 4.621 1.747 ( 5.396 2.652 0.000) 6.013 1.788 ( 9.893 -1.329 0.000) 9.982 1.846 ( -3.195 3.660 0.000) 4.858 1.865 ( 2.125 6.165 0.000) 6.521 1.882 ( -3.446 0.167 0.000) 3.450 2.021 ( 5.617 -8.846 0.000) 10.479 2.275 ( 5.039 1.911 0.000) 5.389 2.313 ( 5.266 -1.787 0.000) 5.561 2.464 ( 0.623 5.149 0.000) 5.186 2.479 ( -0.433 6.235 0.000) 6.250 2.544 ( 1.202 -0.097 0.000) 1.205 2.551 ( -2.399 1.033 0.000) 2.612 2.604 ( 3.721 5.880 0.000) 6.958 2.713 ( -1.510 10.361 0.000) 10.470 2.718 ( 3.162 -1.045 0.000) 3.331 2.777 ( 2.698 5.785 0.000) 6.383 2.861 ( -5.530 4.087 0.000) 6.877 2.919 ( -2.488 -5.290 0.000) 5.846 2.999 ( 1.156 -11.574 0.000) 11.631 3.112 ( -4.025 -12.586 0.000) 13.213 3.417 ( -0.508 2.797 0.000) 2.843 3.425 ( -1.690 2.038 0.000) 2.648 3.427 ( 1.238 4.002 0.000) 4.189 3.471 ( 2.666 -0.928 0.000) 2.823 3.567 ( -0.863 11.779 0.000) 11.811 3.661 ( -3.199 3.277 0.000) 4.580 3.705 ( -1.781 -1.112 0.000) 2.100 3.720 ( -1.500 0.490 0.000) 1.578 3.783 ( 1.951 6.165 0.000) 6.466 3.784 ( 0.055 4.931 0.000) 4.931 3.836 ( 0.935 -1.533 0.000) 1.796 3.851 ( 4.104 0.308 0.000) 4.116 3.935 ( -0.223 0.898 0.000) 0.925 3.965 ( -1.506 2.144 0.000) 2.620 3.968 ( 1.972 -1.394 0.000) 2.415 4.044 ( -2.343 -4.488 0.000) 5.063 4.068 ( -1.591 2.012 0.000) 2.565 4.110 ( -2.190 -2.619 0.000) 3.414 4.161 ( -3.027 8.359 0.000) 8.891 4.273 ( -4.180 -3.233 0.000) 5.285 4.274 ( 1.565 1.740 0.000) 2.340 4.291 ( -2.142 2.343 0.000) 3.174 4.313 ( 0.479 -2.179 0.000) 2.231 4.319 ( 0.440 0.133 0.000) 0.459 4.378 ( -2.597 -1.072 0.000) 2.810 4.393 ( 1.082 -1.335 0.000) 1.719 4.417 ( 1.455 0.569 0.000) 1.563 4.430 ( 0.695 -0.076 0.000) 0.699 4.490 ( -1.758 3.522 0.000) 3.936 4.529 ( -0.241 1.792 0.000) 1.808 4.543 ( -0.873 -1.828 0.000) 2.025 4.565 ( 0.279 -1.232 0.000) 1.263 4.631 ( -0.745 5.155 0.000) 5.209 4.731 ( -3.909 6.820 0.000) 7.861 4.741 ( -1.176 -5.176 0.000) 5.308 4.825 ( -5.217 -0.222 0.000) 5.221 4.931 ( -0.052 4.231 0.000) 4.232 4.962 ( 1.363 0.381 0.000) 1.416 4.977 ( -4.972 2.921 0.000) 5.767 5.012 ( -4.135 -0.745 0.000) 4.202 5.091 ( 0.180 3.142 0.000) 3.147 5.121 ( 1.206 2.719 0.000) 2.974 5.149 ( 0.814 -1.970 0.000) 2.131 5.211 ( 0.346 -4.701 0.000) 4.714 5.268 ( 1.540 2.614 0.000) 3.034 5.269 ( -3.102 2.456 0.000) 3.957 5.301 ( 0.403 -0.182 0.000) 0.442 5.332 ( -1.718 -2.069 0.000) 2.689 5.434 ( 6.539 0.974 0.000) 6.611 5.454 ( 4.809 -0.925 0.000) 4.897 5.537 ( 5.532 0.989 0.000) 5.620 5.539 ( 1.028 0.812 0.000) 1.310 5.566 ( 2.316 -1.532 0.000) 2.777 5.580 ( 4.917 -2.902 0.000) 5.710 5.623 ( 0.145 0.409 0.000) 0.434 5.672 ( 0.660 -3.818 0.000) 3.875 5.774 ( -1.236 -0.241 0.000) 1.259 5.808 ( -1.411 -2.725 0.000) 3.068 5.877 ( -2.087 -0.494 0.000) 2.144 5.891 ( -1.655 -2.509 0.000) 3.005 6.789 ( 0.498 13.540 0.000) 13.549 6.815 ( -0.073 12.905 0.000) 12.906 7.067 ( 0.337 -14.998 0.000) 15.002 7.075 ( 0.121 -13.851 0.000) 13.851 7.761 ( 0.103 1.629 0.000) 1.633 7.773 ( -0.182 1.476 0.000) 1.487 7.819 ( 0.048 -3.718 0.000) 3.719 7.824 ( -0.069 -3.303 0.000) 3.303 10.575 ( 0.457 -0.514 0.000) 0.688 10.610 ( 0.352 -4.620 0.000) 4.634 10.619 ( -0.596 -1.484 0.000) 1.599 10.635 ( -0.147 -3.620 0.000) 3.623 12.093 ( 0.201 11.686 0.000) 11.688 12.122 ( -0.460 10.832 0.000) 10.842 12.311 ( 0.110 -10.934 0.000) 10.935 12.325 ( -0.204 -10.002 0.000) 10.004 13.504 ( 0.271 11.287 0.000) 11.291 13.536 ( -0.517 6.536 0.000) 6.557 13.608 ( 0.536 -0.044 0.000) 0.538 13.652 ( -0.531 -2.744 0.000) 2.795 14.531 ( 0.696 4.344 0.000) 4.399 14.600 ( -0.865 3.172 0.000) 3.288 14.667 ( 0.249 -8.491 0.000) 8.495 14.693 ( -0.352 -5.823 0.000) 5.833======================= Grid point 32 (21/42) =======================q-point: ( 0.40 0.46 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 66Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.420 ( 0.075 5.373 0.000) 5.374 1.421 ( 0.016 4.611 0.000) 4.611 1.512 ( 1.299 -4.538 0.000) 4.721 1.527 ( -0.156 -5.300 0.000) 5.303 1.773 ( -0.209 4.634 0.000) 4.638 1.789 ( -1.971 4.109 0.000) 4.557 1.814 ( -0.769 0.310 0.000) 0.830 1.822 ( -1.857 0.801 0.000) 2.023 2.153 ( 16.425 3.712 0.000) 16.840 2.270 ( 14.679 -7.340 0.000) 16.412 2.345 ( -0.683 2.971 0.000) 3.049 2.411 ( 2.792 -3.897 0.000) 4.794 2.470 ( -0.720 4.956 0.000) 5.008 2.481 ( 0.717 2.505 0.000) 2.605 2.494 ( -2.576 0.641 0.000) 2.654 2.552 ( -3.525 -3.607 0.000) 5.043 2.666 ( -0.662 10.261 0.000) 10.283 2.673 ( 2.680 11.733 0.000) 12.036 2.723 ( -2.369 6.509 0.000) 6.927 2.745 ( -4.406 10.260 0.000) 11.166 2.839 ( 2.026 -5.386 0.000) 5.754 2.858 ( -1.941 -8.421 0.000) 8.642 2.993 ( -1.363 -13.229 0.000) 13.299 3.019 ( -4.094 -12.720 0.000) 13.363 3.416 ( 2.200 6.511 0.000) 6.872 3.451 ( 0.190 7.284 0.000) 7.286 3.471 ( 4.564 1.338 0.000) 4.756 3.511 ( 1.003 1.996 0.000) 2.234 3.543 ( -1.285 9.739 0.000) 9.824 3.580 ( -4.652 4.748 0.000) 6.647 3.685 ( 0.235 -4.044 0.000) 4.051 3.697 ( -0.650 -2.690 0.000) 2.767 3.795 ( 1.397 6.765 0.000) 6.908 3.819 ( 0.469 8.022 0.000) 8.036 3.862 ( 1.893 -1.464 0.000) 2.393 3.902 ( -0.290 3.286 0.000) 3.299 3.930 ( -0.375 1.596 0.000) 1.639 3.944 ( -1.514 -4.607 0.000) 4.849 3.984 ( -0.239 -2.668 0.000) 2.679 4.012 ( 1.925 -1.537 0.000) 2.463 4.039 ( -2.102 1.252 0.000) 2.446 4.076 ( 0.939 -2.549 0.000) 2.717 4.083 ( -4.008 4.576 0.000) 6.083 4.153 ( -6.179 -2.019 0.000) 6.500 4.271 ( 0.378 2.429 0.000) 2.458 4.290 ( -0.937 1.690 0.000) 1.932 4.319 ( 0.980 -0.815 0.000) 1.275 4.325 ( 0.324 -2.902 0.000) 2.920 4.374 ( 1.477 2.979 0.000) 3.325 4.413 ( 1.188 -1.019 0.000) 1.565 4.418 ( -2.105 2.487 0.000) 3.259 4.440 ( -0.893 0.800 0.000) 1.199 4.467 ( 0.793 2.249 0.000) 2.384 4.515 ( -2.713 3.630 0.000) 4.532 4.530 ( 0.620 -2.256 0.000) 2.340 4.540 ( -0.628 1.709 0.000) 1.820 4.629 ( 1.222 3.912 0.000) 4.098 4.688 ( -1.705 -0.050 0.000) 1.705 4.714 ( -3.427 -1.138 0.000) 3.611 4.718 ( -0.978 -4.478 0.000) 4.584 4.916 ( -0.814 4.489 0.000) 4.562 4.916 ( -1.154 3.958 0.000) 4.123 4.973 ( -0.314 -1.820 0.000) 1.847 4.977 ( -0.132 -1.540 0.000) 1.546 5.126 ( 2.344 2.758 0.000) 3.619 5.145 ( 0.701 3.212 0.000) 3.288 5.181 ( 2.313 -2.444 0.000) 3.365 5.218 ( -0.509 -3.217 0.000) 3.257 5.223 ( -1.068 4.427 0.000) 4.554 5.241 ( -2.319 3.482 0.000) 4.183 5.284 ( -0.624 -0.835 0.000) 1.042 5.301 ( -1.530 -2.087 0.000) 2.588 5.544 ( 4.552 0.999 0.000) 4.660 5.555 ( 2.093 -0.278 0.000) 2.112 5.585 ( -1.208 1.852 0.000) 2.211 5.609 ( -0.751 -0.042 0.000) 0.752 5.612 ( 5.633 -0.283 0.000) 5.640 5.631 ( 4.270 -2.351 0.000) 4.874 5.673 ( -0.212 -1.187 0.000) 1.206 5.691 ( 1.533 -3.173 0.000) 3.523 5.754 ( 0.282 -0.517 0.000) 0.589 5.785 ( 0.757 -3.732 0.000) 3.808 5.817 ( -3.780 -0.208 0.000) 3.785 5.841 ( -3.150 -3.482 0.000) 4.696 6.801 ( 0.622 13.355 0.000) 13.370 6.811 ( -0.351 13.088 0.000) 13.093 7.074 ( 0.279 -14.668 0.000) 14.670 7.077 ( -0.003 -14.206 0.000) 14.206 7.764 ( 0.196 1.604 0.000) 1.616 7.769 ( -0.245 1.553 0.000) 1.572 7.820 ( 0.089 -3.622 0.000) 3.623 7.822 ( -0.103 -3.465 0.000) 3.466 10.588 ( 0.766 -0.685 0.000) 1.028 10.604 ( -0.821 -1.029 0.000) 1.317 10.619 ( 0.519 -4.425 0.000) 4.456 10.629 ( -0.423 -4.071 0.000) 4.093 12.100 ( 0.445 11.540 0.000) 11.548 12.111 ( -0.604 11.216 0.000) 11.233 12.315 ( 0.220 -10.704 0.000) 10.706 12.320 ( -0.278 -10.349 0.000) 10.353 13.512 ( 0.500 9.952 0.000) 9.964 13.524 ( -0.624 8.187 0.000) 8.211 13.621 ( 0.771 -0.959 0.000) 1.231 13.638 ( -0.797 -1.937 0.000) 2.094 14.550 ( 1.198 4.004 0.000) 4.179 14.577 ( -1.300 3.567 0.000) 3.797 14.674 ( 0.458 -7.711 0.000) 7.725 14.684 ( -0.524 -6.695 0.000) 6.716======================= Grid point 65 (22/42) =======================q-point: ( 0.00 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 42Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.431 ( 0.000 0.000 23.280) 23.280 0.432 ( 0.000 0.000 22.972) 22.972 0.686 ( 0.000 0.000 33.912) 33.912 0.827 ( 0.000 0.000 -20.203) 20.203 0.829 ( 0.000 0.000 -15.392) 15.392 1.012 ( 0.000 0.000 3.747) 3.747 1.113 ( 0.000 0.000 -7.103) 7.103 1.205 ( 0.000 0.000 -0.565) 0.565 1.325 ( 0.000 0.000 -6.299) 6.299 1.381 ( 0.000 0.000 -33.392) 33.392 1.419 ( 0.000 0.000 7.996) 7.996 1.435 ( 0.000 0.000 9.874) 9.874 1.470 ( 0.000 0.000 8.509) 8.509 1.583 ( 0.000 0.000 -4.657) 4.657 1.619 ( 0.000 0.000 -5.399) 5.399 1.645 ( 0.000 0.000 5.946) 5.946 1.707 ( 0.000 0.000 -1.242) 1.242 1.961 ( 0.000 0.000 -11.224) 11.224 1.994 ( 0.000 0.000 6.056) 6.056 2.098 ( 0.000 0.000 -4.727) 4.727 2.142 ( 0.000 0.000 3.067) 3.067 2.191 ( 0.000 0.000 -1.839) 1.839 2.197 ( 0.000 0.000 12.513) 12.513 2.385 ( 0.000 0.000 0.590) 0.590 2.401 ( 0.000 0.000 -1.125) 1.125 2.448 ( 0.000 0.000 -4.177) 4.177 2.566 ( 0.000 0.000 10.446) 10.446 2.588 ( 0.000 0.000 7.541) 7.541 2.944 ( 0.000 0.000 0.627) 0.627 3.084 ( 0.000 0.000 -6.383) 6.383 3.136 ( 0.000 0.000 4.221) 4.221 3.334 ( 0.000 0.000 6.712) 6.712 3.346 ( 0.000 0.000 -19.160) 19.160 3.394 ( 0.000 0.000 -1.379) 1.379 3.522 ( 0.000 0.000 0.717) 0.717 3.530 ( 0.000 0.000 0.250) 0.250 3.553 ( 0.000 0.000 -0.205) 0.205 3.562 ( 0.000 0.000 -0.809) 0.809 3.769 ( 0.000 0.000 0.389) 0.389 3.778 ( 0.000 0.000 -0.596) 0.596 3.805 ( 0.000 0.000 0.954) 0.954 3.821 ( 0.000 0.000 -0.704) 0.704 3.852 ( 0.000 0.000 1.791) 1.791 3.888 ( 0.000 0.000 -3.334) 3.334 3.980 ( 0.000 0.000 0.718) 0.718 3.995 ( 0.000 0.000 -0.785) 0.785 4.056 ( 0.000 0.000 0.525) 0.525 4.065 ( 0.000 0.000 -0.404) 0.404 4.114 ( 0.000 0.000 4.498) 4.498 4.127 ( 0.000 0.000 1.306) 1.306 4.293 ( 0.000 0.000 1.048) 1.048 4.308 ( 0.000 0.000 0.118) 0.118 4.334 ( 0.000 0.000 2.713) 2.713 4.337 ( 0.000 0.000 4.624) 4.624 4.375 ( 0.000 0.000 3.746) 3.746 4.457 ( 0.000 0.000 -5.604) 5.604 4.573 ( 0.000 0.000 1.445) 1.445 4.599 ( 0.000 0.000 -1.626) 1.626 4.634 ( 0.000 0.000 -1.978) 1.978 4.666 ( 0.000 0.000 -4.123) 4.123 4.693 ( 0.000 0.000 3.198) 3.198 4.740 ( 0.000 0.000 -1.535) 1.535 4.799 ( 0.000 0.000 1.703) 1.703 4.847 ( 0.000 0.000 -3.910) 3.910 5.027 ( 0.000 0.000 6.983) 6.983 5.175 ( 0.000 0.000 -8.492) 8.492 5.396 ( 0.000 0.000 0.241) 0.241 5.400 ( 0.000 0.000 -0.241) 0.241 5.404 ( 0.000 0.000 -0.511) 0.511 5.427 ( 0.000 0.000 -0.892) 0.892 5.497 ( 0.000 0.000 1.048) 1.048 5.509 ( 0.000 0.000 -1.917) 1.917 5.726 ( 0.000 0.000 3.536) 3.536 5.727 ( 0.000 0.000 3.177) 3.177 5.850 ( 0.000 0.000 2.740) 2.740 5.888 ( 0.000 0.000 -2.162) 2.162 5.939 ( 0.000 0.000 0.739) 0.739 5.991 ( 0.000 0.000 -5.142) 5.142 5.999 ( 0.000 0.000 4.965) 4.965 6.104 ( 0.000 0.000 -5.396) 5.396 6.215 ( 0.000 0.000 5.736) 5.736 6.297 ( 0.000 0.000 -2.970) 2.970 6.355 ( 0.000 0.000 3.823) 3.823 6.438 ( 0.000 0.000 -5.038) 5.038 6.882 ( 0.000 0.000 6.683) 6.683 7.001 ( 0.000 0.000 -5.510) 5.510 8.140 ( 0.000 0.000 0.061) 0.061 8.141 ( 0.000 0.000 -0.049) 0.049 8.176 ( 0.000 0.000 0.058) 0.058 8.178 ( 0.000 0.000 -0.070) 0.070 9.267 ( 0.000 0.000 10.557) 10.557 9.530 ( 0.000 0.000 -17.900) 17.900 10.104 ( 0.000 0.000 2.997) 2.997 10.111 ( 0.000 0.000 0.468) 0.468 10.306 ( 0.000 0.000 14.215) 14.215 10.554 ( 0.000 0.000 -11.250) 11.250 10.743 ( 0.000 0.000 1.098) 1.098 10.752 ( 0.000 0.000 -0.100) 0.100 12.775 ( 0.000 0.000 0.100) 0.100 12.777 ( 0.000 0.000 -0.100) 0.100 14.098 ( 0.000 0.000 0.095) 0.095 14.101 ( 0.000 0.000 -0.166) 0.166 14.112 ( 0.000 0.000 0.231) 0.231 14.116 ( 0.000 0.000 -0.159) 0.159 14.116 ( 0.000 0.000 1.669) 1.669 14.158 ( 0.000 0.000 -2.869) 2.869 14.276 ( 0.000 0.000 2.978) 2.978 14.320 ( 0.000 0.000 -1.764) 1.764======================= Grid point 66 (23/42) =======================q-point: ( 0.20 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 56Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.480 ( 8.016 0.000 14.291) 16.386 0.505 ( 6.618 0.000 18.949) 20.071 0.780 ( -0.237 0.000 -15.694) 15.696 0.855 ( 2.533 0.000 -18.297) 18.471 0.964 ( -4.464 0.000 4.369) 6.246 1.086 ( -2.558 0.000 -8.361) 8.744 1.087 ( 22.838 0.000 22.580) 32.116 1.230 ( -0.326 0.000 2.143) 2.168 1.267 ( -8.736 0.000 6.232) 10.731 1.318 ( -0.011 0.000 -4.201) 4.201 1.426 ( 0.584 0.000 8.287) 8.307 1.438 ( 0.214 0.000 9.921) 9.924 1.497 ( -9.768 0.000 -10.861) 14.607 1.588 ( 0.486 0.000 -4.768) 4.792 1.600 ( 16.392 0.000 -20.083) 25.924 1.617 ( -0.209 0.000 -5.331) 5.336 1.818 ( 7.399 0.000 8.197) 11.043 1.981 ( 1.965 0.000 -4.307) 4.734 2.104 ( 3.035 0.000 -4.174) 5.161 2.110 ( 6.863 0.000 -2.396) 7.269 2.146 ( 0.344 0.000 2.380) 2.405 2.185 ( -0.528 0.000 -1.587) 1.672 2.259 ( 5.273 0.000 15.239) 16.125 2.387 ( 0.248 0.000 0.560) 0.612 2.401 ( -0.039 0.000 -0.843) 0.844 2.462 ( -2.983 0.000 -0.683) 3.060 2.590 ( 4.284 0.000 10.653) 11.482 2.696 ( 6.590 0.000 -7.583) 10.046 2.926 ( 1.286 0.000 6.955) 7.073 3.108 ( 2.810 0.000 -5.443) 6.125 3.172 ( 2.423 0.000 4.029) 4.702 3.233 ( -6.992 0.000 3.736) 7.928 3.316 ( -7.052 0.000 -3.221) 7.753 3.357 ( -0.085 0.000 -13.805) 13.806 3.525 ( 0.209 0.000 0.608) 0.643 3.530 ( 0.060 0.000 0.251) 0.258 3.553 ( -0.032 0.000 -0.197) 0.199 3.560 ( -0.176 0.000 -0.712) 0.734 3.770 ( 0.127 0.000 0.371) 0.392 3.779 ( 0.033 0.000 -0.551) 0.552 3.788 ( -6.573 0.000 4.543) 7.990 3.805 ( 0.017 0.000 0.828) 0.828 3.819 ( -0.213 0.000 -0.614) 0.650 3.853 ( -3.938 0.000 -2.876) 4.876 3.982 ( 0.145 0.000 0.603) 0.621 3.994 ( -0.118 0.000 -0.614) 0.625 4.020 ( -5.721 0.000 5.482) 7.924 4.056 ( 0.046 0.000 0.408) 0.411 4.064 ( -0.110 0.000 -0.350) 0.367 4.104 ( -2.883 0.000 -1.775) 3.385 4.211 ( -8.526 0.000 8.772) 12.232 4.247 ( -3.387 0.000 0.916) 3.509 4.300 ( -0.704 0.000 -0.778) 1.049 4.315 ( -1.511 0.000 4.271) 4.530 4.348 ( -1.198 0.000 -0.086) 1.201 4.419 ( -0.148 0.000 0.986) 0.997 4.444 ( -0.966 0.000 -1.878) 2.112 4.518 ( -5.074 0.000 -5.783) 7.694 4.598 ( -3.211 0.000 -1.408) 3.506 4.640 ( -2.813 0.000 -3.307) 4.342 4.816 ( 4.624 0.000 2.172) 5.109 4.826 ( 2.599 0.000 3.282) 4.186 4.892 ( 4.011 0.000 -0.524) 4.046 4.918 ( 7.405 0.000 -3.084) 8.022 5.137 ( 4.134 0.000 4.942) 6.443 5.229 ( 3.145 0.000 -5.761) 6.563 5.385 ( -3.219 0.000 5.281) 6.185 5.396 ( 0.041 0.000 0.195) 0.199 5.400 ( -0.046 0.000 -0.195) 0.200 5.459 ( -0.601 0.000 -0.503) 0.784 5.481 ( 3.696 0.000 0.249) 3.704 5.486 ( 3.323 0.000 -0.412) 3.348 5.679 ( -2.982 0.000 4.772) 5.627 5.782 ( -6.051 0.000 0.552) 6.076 5.792 ( 0.253 0.000 2.776) 2.787 5.861 ( -1.658 0.000 3.852) 4.194 5.925 ( 0.024 0.000 -2.859) 2.859 5.966 ( -3.139 0.000 -3.229) 4.503 6.099 ( 3.139 0.000 -2.490) 4.007 6.127 ( 3.517 0.000 -3.388) 4.883 6.206 ( 1.362 0.000 2.999) 3.294 6.276 ( 3.130 0.000 -6.230) 6.972 6.480 ( 5.107 0.000 3.652) 6.279 6.596 ( 6.596 0.000 -5.974) 8.899 7.025 ( 9.869 0.000 -1.162) 9.937 7.204 ( 12.824 0.000 -19.962) 23.726 8.140 ( 0.008 0.000 0.050) 0.051 8.141 ( -0.012 0.000 -0.040) 0.041 8.176 ( 0.015 0.000 0.046) 0.049 8.177 ( -0.008 0.000 -0.056) 0.057 9.020 ( -17.420 0.000 20.328) 26.771 9.206 ( -18.682 0.000 -1.199) 18.721 10.063 ( -0.229 0.000 7.993) 7.996 10.109 ( -0.188 0.000 -0.006) 0.188 10.235 ( -0.646 0.000 7.797) 7.824 10.459 ( -6.972 0.000 -11.763) 13.674 10.720 ( -1.662 0.000 2.173) 2.736 10.746 ( -1.321 0.000 -0.760) 1.524 12.775 ( 0.018 0.000 0.081) 0.083 12.777 ( -0.018 0.000 -0.081) 0.083 14.099 ( 0.040 0.000 0.082) 0.092 14.101 ( 0.002 0.000 -0.135) 0.135 14.112 ( 0.010 0.000 0.187) 0.187 14.115 ( -0.052 0.000 -0.135) 0.144 14.129 ( 1.101 0.000 1.442) 1.814 14.164 ( 0.368 0.000 -2.294) 2.323 14.276 ( 0.051 0.000 2.587) 2.588 14.315 ( -0.447 0.000 -1.541) 1.605======================= Grid point 67 (24/42) =======================q-point: ( 0.40 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 56Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.666 ( 8.559 0.000 12.472) 15.127 0.680 ( 9.790 0.000 5.519) 11.238 0.799 ( -0.175 0.000 -4.288) 4.292 0.832 ( -7.271 0.000 7.517) 10.458 0.931 ( 3.886 0.000 -15.073) 15.566 1.016 ( -4.074 0.000 -11.473) 12.174 1.063 ( -3.253 0.000 1.389) 3.537 1.154 ( -8.384 0.000 -5.464) 10.008 1.273 ( -2.218 0.000 -2.489) 3.334 1.274 ( -1.314 0.000 -1.366) 1.895 1.437 ( 0.408 0.000 9.010) 9.020 1.441 ( 0.019 0.000 9.692) 9.692 1.600 ( 0.599 0.000 -4.964) 5.000 1.611 ( -0.436 0.000 -5.162) 5.181 1.723 ( 21.347 0.000 11.747) 24.365 1.886 ( 4.194 0.000 -0.873) 4.284 1.930 ( 4.223 0.000 3.192) 5.294 2.045 ( 2.214 0.000 -2.827) 3.591 2.156 ( 0.655 0.000 0.812) 1.043 2.159 ( 4.201 0.000 -1.029) 4.325 2.171 ( -0.768 0.000 -0.702) 1.040 2.250 ( 2.528 0.000 -7.180) 7.612 2.364 ( 4.615 0.000 4.803) 6.661 2.393 ( 0.322 0.000 0.326) 0.458 2.399 ( -0.194 0.000 -0.219) 0.293 2.404 ( -0.580 0.000 0.836) 1.017 2.650 ( 1.054 0.000 2.115) 2.363 2.674 ( -4.405 0.000 -2.154) 4.903 3.018 ( -6.246 0.000 1.642) 6.458 3.049 ( -6.779 0.000 -2.084) 7.092 3.130 ( 7.493 0.000 3.930) 8.462 3.254 ( -0.620 0.000 -6.819) 6.847 3.323 ( 10.292 0.000 3.727) 10.946 3.403 ( 9.600 0.000 -2.969) 10.049 3.529 ( 0.200 0.000 0.389) 0.437 3.531 ( -0.003 0.000 0.270) 0.270 3.553 ( 0.060 0.000 -0.246) 0.253 3.556 ( -0.220 0.000 -0.466) 0.515 3.576 ( -13.146 0.000 7.731) 15.251 3.688 ( -13.174 0.000 -3.997) 13.767 3.774 ( 0.220 0.000 0.214) 0.307 3.778 ( -0.139 0.000 -0.193) 0.238 3.807 ( 0.217 0.000 0.295) 0.366 3.813 ( -0.320 0.000 -0.298) 0.437 3.964 ( -0.152 0.000 0.454) 0.479 3.986 ( 0.227 0.000 0.277) 0.358 3.990 ( -0.212 0.000 -0.189) 0.283 4.001 ( -3.997 0.000 -2.265) 4.594 4.058 ( 0.119 0.000 0.122) 0.170 4.061 ( -0.158 0.000 -0.172) 0.233 4.129 ( -0.217 0.000 5.110) 5.115 4.168 ( -3.877 0.000 1.280) 4.083 4.275 ( -0.391 0.000 -1.404) 1.458 4.296 ( -1.500 0.000 -2.741) 3.125 4.369 ( 2.909 0.000 0.894) 3.043 4.424 ( -0.264 0.000 -0.736) 0.782 4.428 ( -0.307 0.000 -1.418) 1.451 4.437 ( -2.935 0.000 -2.238) 3.691 4.541 ( -0.992 0.000 -2.486) 2.676 4.572 ( -3.312 0.000 -4.378) 5.490 4.874 ( 1.905 0.000 5.479) 5.800 4.882 ( 1.524 0.000 3.269) 3.607 4.979 ( 4.251 0.000 4.624) 6.281 5.038 ( 0.963 0.000 4.382) 4.486 5.166 ( 3.693 0.000 -0.201) 3.698 5.265 ( -1.686 0.000 -6.584) 6.796 5.358 ( 0.060 0.000 -3.820) 3.820 5.380 ( -3.182 0.000 -5.702) 6.530 5.397 ( 0.069 0.000 0.074) 0.101 5.399 ( -0.072 0.000 -0.074) 0.104 5.545 ( 2.713 0.000 2.894) 3.967 5.581 ( 0.598 0.000 -1.414) 1.535 5.630 ( -0.154 0.000 3.104) 3.108 5.669 ( -3.818 0.000 -0.642) 3.872 5.803 ( 0.820 0.000 6.882) 6.930 5.831 ( -1.580 0.000 3.582) 3.915 5.916 ( -0.158 0.000 -2.614) 2.618 5.925 ( -0.823 0.000 -2.211) 2.359 6.142 ( 1.717 0.000 2.218) 2.805 6.168 ( -0.422 0.000 0.542) 0.687 6.277 ( 5.141 0.000 2.760) 5.835 6.333 ( 0.343 0.000 -2.772) 2.793 6.586 ( 5.010 0.000 7.152) 8.733 6.652 ( -0.647 0.000 4.272) 4.321 7.209 ( 7.928 0.000 -11.637) 14.081 7.318 ( -1.329 0.000 -21.332) 21.374 8.140 ( 0.015 0.000 0.020) 0.025 8.141 ( -0.017 0.000 -0.014) 0.022 8.177 ( 0.021 0.000 0.016) 0.026 8.177 ( -0.016 0.000 -0.023) 0.028 8.816 ( -2.089 0.000 14.022) 14.177 8.907 ( -10.252 0.000 3.273) 10.762 10.082 ( 1.294 0.000 1.411) 1.914 10.102 ( -0.598 0.000 -0.558) 0.818 10.255 ( 2.348 0.000 2.783) 3.641 10.331 ( -5.186 0.000 -4.587) 6.923 10.697 ( -0.287 0.000 0.849) 0.897 10.712 ( -1.592 0.000 -0.694) 1.737 12.776 ( 0.029 0.000 0.031) 0.043 12.776 ( -0.029 0.000 -0.031) 0.043 14.100 ( 0.052 0.000 0.038) 0.064 14.101 ( -0.026 0.000 -0.048) 0.055 14.112 ( 0.045 0.000 0.068) 0.082 14.114 ( -0.071 0.000 -0.058) 0.091 14.152 ( 1.025 0.000 0.703) 1.242 14.166 ( -0.281 0.000 -0.696) 0.751 14.284 ( 0.685 0.000 0.924) 1.150 14.301 ( -0.891 0.000 -0.836) 1.222======================= Grid point 70 (25/42) =======================q-point: ( 0.00 0.08 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.508 ( 0.000 7.739 18.135) 19.717 0.602 ( 0.000 15.929 13.778) 21.061 0.859 ( 0.000 3.606 -16.949) 17.328 0.921 ( 0.000 8.328 -16.730) 18.688 1.049 ( 0.000 27.638 22.542) 35.665 1.200 ( 0.000 11.809 -1.451) 11.897 1.250 ( 0.000 10.560 -3.081) 11.000 1.305 ( 0.000 11.931 3.046) 12.313 1.405 ( 0.000 9.837 -2.226) 10.086 1.441 ( 0.000 1.886 6.075) 6.361 1.500 ( 0.000 11.331 -6.185) 12.910 1.577 ( 0.000 11.203 7.759) 13.628 1.579 ( 0.000 13.465 -5.500) 14.545 1.628 ( 0.000 5.731 -6.558) 8.709 1.737 ( 0.000 8.168 -8.785) 11.996 1.740 ( 0.000 12.199 -6.810) 13.971 1.775 ( 0.000 8.855 7.360) 11.515 1.974 ( 0.000 1.027 -7.320) 7.392 1.999 ( 0.000 1.057 5.528) 5.628 2.102 ( 0.000 0.785 -7.679) 7.719 2.174 ( 0.000 3.908 9.396) 10.176 2.223 ( 0.000 6.404 2.983) 7.065 2.386 ( 0.000 12.634 -1.181) 12.689 2.449 ( 0.000 5.594 -2.230) 6.022 2.515 ( 0.000 10.108 0.124) 10.109 2.539 ( 0.000 9.087 2.141) 9.336 2.595 ( 0.000 5.039 5.647) 7.568 2.637 ( 0.000 5.997 4.743) 7.646 3.004 ( 0.000 6.143 3.561) 7.101 3.132 ( 0.000 5.349 -5.219) 7.474 3.145 ( 0.000 1.405 3.108) 3.410 3.312 ( 0.000 -2.910 -12.385) 12.723 3.316 ( 0.000 -0.592 5.635) 5.666 3.379 ( 0.000 -0.349 -5.222) 5.234 3.559 ( 0.000 3.170 1.274) 3.416 3.582 ( 0.000 2.453 -0.607) 2.527 3.596 ( 0.000 2.637 -0.709) 2.730 3.613 ( 0.000 4.514 -3.379) 5.639 3.810 ( 0.000 2.096 -0.566) 2.171 3.816 ( 0.000 2.522 -0.869) 2.668 3.827 ( 0.000 0.169 5.035) 5.038 3.847 ( 0.000 3.060 0.579) 3.114 3.854 ( 0.000 3.131 -0.290) 3.144 3.911 ( 0.000 3.466 -4.100) 5.369 4.047 ( 0.000 3.434 -0.499) 3.470 4.050 ( 0.000 3.573 -0.817) 3.665 4.088 ( 0.000 2.109 1.255) 2.454 4.093 ( 0.000 3.629 0.469) 3.660 4.159 ( 0.000 3.455 1.637) 3.823 4.160 ( 0.000 4.598 3.314) 5.668 4.298 ( 0.000 -3.934 4.659) 6.098 4.318 ( 0.000 0.225 1.740) 1.755 4.319 ( 0.000 2.423 1.224) 2.714 4.351 ( 0.000 -2.788 -0.248) 2.799 4.378 ( 0.000 3.657 0.138) 3.659 4.449 ( 0.000 -0.471 -5.071) 5.093 4.513 ( 0.000 -5.507 3.921) 6.760 4.589 ( 0.000 2.484 2.379) 3.440 4.626 ( 0.000 -3.895 -7.055) 8.059 4.670 ( 0.000 4.500 -6.723) 8.090 4.685 ( 0.000 0.444 2.531) 2.570 4.723 ( 0.000 -1.050 -1.194) 1.590 4.803 ( 0.000 1.287 -0.648) 1.441 4.806 ( 0.000 -1.940 -0.315) 1.965 5.016 ( 0.000 -0.736 6.513) 6.554 5.151 ( 0.000 -1.871 -7.330) 7.565 5.284 ( 0.000 -0.910 10.233) 10.273 5.373 ( 0.000 -2.979 -1.202) 3.212 5.433 ( 0.000 -1.745 -0.406) 1.792 5.455 ( 0.000 -0.692 -3.242) 3.315 5.511 ( 0.000 -0.504 2.631) 2.679 5.558 ( 0.000 3.429 -1.452) 3.723 5.718 ( 0.000 -1.721 4.379) 4.705 5.803 ( 0.000 -0.866 -4.510) 4.592 5.861 ( 0.000 2.190 2.997) 3.712 5.901 ( 0.000 -3.864 0.409) 3.885 5.903 ( 0.000 -1.323 -1.627) 2.097 5.937 ( 0.000 -2.842 -4.396) 5.235 5.943 ( 0.000 -5.050 4.393) 6.693 6.036 ( 0.000 -5.687 -4.815) 7.451 6.191 ( 0.000 -3.928 5.388) 6.668 6.278 ( 0.000 -2.083 -3.198) 3.816 6.295 ( 0.000 -3.304 2.809) 4.337 6.357 ( 0.000 -7.401 -4.211) 8.515 6.809 ( 0.000 -7.123 5.481) 8.987 6.891 ( 0.000 -9.439 -2.298) 9.715 8.040 ( 0.000 -7.529 0.344) 7.537 8.045 ( 0.000 -7.649 -0.177) 7.651 8.184 ( 0.000 0.621 2.044) 2.136 8.258 ( 0.000 4.179 -7.023) 8.172 9.084 ( 0.000 -17.518 5.729) 18.431 9.177 ( 0.000 -26.104 -1.886) 26.172 10.266 ( 0.000 14.179 1.312) 14.240 10.289 ( 0.000 7.047 2.723) 7.555 10.337 ( 0.000 15.080 10.313) 18.269 10.567 ( 0.000 0.537 -10.095) 10.109 10.859 ( 0.000 10.898 0.460) 10.907 10.859 ( 0.000 12.967 0.460) 12.975 12.660 ( 0.000 -11.199 0.188) 11.201 12.662 ( 0.000 -11.104 -0.091) 11.105 13.848 ( 0.000 -14.181 0.431) 14.187 13.859 ( 0.000 -14.167 -0.674) 14.183 13.935 ( 0.000 -11.889 0.426) 11.896 13.938 ( 0.000 -10.401 0.047) 10.401 14.356 ( 0.000 11.702 -0.550) 11.715 14.370 ( 0.000 10.951 -1.863) 11.109 14.479 ( 0.000 12.728 2.796) 13.032 14.519 ( 0.000 12.875 -1.448) 12.956======================= Grid point 71 (26/42) =======================q-point: ( 0.20 0.08 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.576 ( 7.052 13.083 6.155) 16.087 0.757 ( 6.571 9.054 -0.700) 11.208 0.815 ( 1.836 9.081 -3.224) 9.810 0.979 ( 1.764 8.288 -9.027) 12.381 1.204 ( 3.936 16.183 13.629) 21.520 1.227 ( -0.451 16.580 1.037) 16.619 1.262 ( 4.273 10.099 0.050) 10.966 1.291 ( -1.727 8.840 2.586) 9.371 1.311 ( -1.455 8.615 9.299) 12.760 1.386 ( -2.306 9.908 -5.162) 11.407 1.491 ( -6.490 3.066 -6.148) 9.450 1.545 ( 2.978 10.013 7.602) 12.919 1.612 ( -2.410 12.152 4.294) 13.112 1.653 ( 2.999 9.437 -13.299) 16.580 1.696 ( 5.573 8.956 -6.672) 12.481 1.739 ( 0.004 11.067 -4.419) 11.916 1.850 ( 6.397 4.442 3.172) 8.409 1.992 ( 1.002 1.994 -5.894) 6.302 2.090 ( 3.299 1.472 -1.181) 3.801 2.113 ( 7.175 1.605 -2.233) 7.684 2.264 ( 2.535 9.563 3.715) 10.568 2.293 ( 8.268 7.969 5.435) 12.704 2.388 ( 0.201 12.245 2.478) 12.494 2.482 ( -0.427 6.575 -0.541) 6.611 2.508 ( -0.298 10.543 0.547) 10.562 2.552 ( -1.916 10.481 0.786) 10.684 2.609 ( 4.743 3.206 7.689) 9.587 2.711 ( 6.097 2.038 -6.495) 9.138 2.981 ( -0.400 5.452 7.088) 8.951 3.117 ( -0.978 1.290 -1.063) 1.937 3.176 ( 0.561 1.144 0.227) 1.294 3.212 ( -4.643 -0.289 -0.316) 4.663 3.295 ( -4.568 -0.646 -1.418) 4.827 3.345 ( -0.647 0.036 -10.980) 10.999 3.545 ( -0.933 1.742 0.890) 2.167 3.565 ( -1.262 2.016 -1.030) 2.592 3.587 ( -0.599 2.779 0.440) 2.876 3.603 ( -0.430 3.318 -1.245) 3.570 3.755 ( -5.073 -0.325 3.957) 6.442 3.802 ( -1.561 0.846 -1.822) 2.544 3.822 ( -0.999 1.891 2.072) 2.978 3.848 ( -0.309 3.528 0.678) 3.606 3.853 ( -0.162 3.827 0.224) 3.837 3.882 ( -2.600 3.504 -3.059) 5.329 4.012 ( -5.877 1.846 5.439) 8.218 4.053 ( -0.196 3.171 -0.983) 3.326 4.068 ( 0.776 3.225 -0.353) 3.336 4.094 ( -0.293 5.074 0.549) 5.112 4.104 ( -2.842 3.852 0.437) 4.807 4.129 ( -3.352 3.106 -1.452) 4.795 4.226 ( -4.228 0.920 7.083) 8.300 4.287 ( -1.559 3.135 -0.049) 3.502 4.322 ( -2.218 1.538 -2.692) 3.812 4.336 ( -1.870 0.232 -2.122) 2.837 4.357 ( -3.384 3.049 5.459) 7.110 4.399 ( 0.646 -0.313 0.698) 1.001 4.446 ( -1.002 0.892 0.827) 1.576 4.509 ( -3.437 -2.975 -0.818) 4.619 4.551 ( -4.342 -0.555 -4.853) 6.536 4.600 ( -3.453 -2.186 -6.562) 7.730 4.776 ( 3.422 -2.555 3.236) 5.358 4.788 ( 2.809 -2.034 2.368) 4.199 4.867 ( 4.785 -1.753 0.846) 5.166 4.906 ( 6.502 -0.958 -2.773) 7.134 5.115 ( 3.510 -1.630 5.219) 6.498 5.207 ( 3.723 -1.883 -5.233) 6.693 5.355 ( 0.305 -0.812 3.638) 3.740 5.411 ( 2.074 -0.536 -0.920) 2.331 5.442 ( 2.277 -2.886 0.358) 3.694 5.462 ( 4.452 -2.096 -1.518) 5.150 5.528 ( 0.555 4.713 0.808) 4.814 5.546 ( -0.449 6.321 -0.656) 6.371 5.669 ( -3.721 -1.870 4.555) 6.172 5.754 ( -5.575 -3.134 -3.842) 7.461 5.798 ( -2.334 0.952 6.869) 7.317 5.838 ( -1.294 -2.334 2.297) 3.521 5.897 ( -0.230 -2.857 -2.004) 3.498 5.929 ( -1.783 -3.672 -1.652) 4.404 6.073 ( 4.510 -2.408 -1.344) 5.286 6.115 ( 4.512 -1.815 -4.084) 6.350 6.183 ( 0.831 -2.470 2.785) 3.814 6.234 ( 1.578 -4.410 -5.099) 6.924 6.383 ( 3.752 -8.313 2.201) 9.382 6.446 ( 5.478 -12.343 -2.902) 13.813 6.928 ( 8.988 -9.409 0.495) 13.022 7.021 ( 9.584 -13.655 -6.075) 17.755 8.041 ( 0.136 -7.460 0.306) 7.468 8.045 ( 0.048 -7.564 -0.120) 7.565 8.194 ( 1.023 1.306 2.019) 2.613 8.271 ( 0.959 4.977 -7.661) 9.186 8.941 ( -11.352 -10.750 10.330) 18.739 9.039 ( -10.562 -16.577 -0.316) 19.658 10.234 ( -4.427 11.607 12.322) 17.497 10.265 ( -0.204 14.753 1.130) 14.798 10.292 ( -0.037 10.856 -0.529) 10.869 10.466 ( -7.681 1.054 -9.826) 12.516 10.849 ( -1.026 12.996 0.602) 13.050 10.854 ( -0.841 11.095 0.100) 11.128 12.659 ( -0.015 -11.210 0.140) 11.211 12.661 ( -0.064 -11.158 -0.085) 11.158 13.847 ( 0.064 -14.069 0.479) 14.077 13.858 ( -0.113 -14.163 -0.565) 14.174 13.932 ( -0.134 -11.905 0.327) 11.910 13.936 ( -0.206 -10.829 -0.083) 10.831 14.357 ( 0.407 11.302 0.370) 11.315 14.376 ( 0.289 10.808 -1.512) 10.917 14.478 ( 0.005 12.822 2.260) 13.019 14.512 ( -0.574 12.895 -1.344) 12.978======================= Grid point 72 (27/42) =======================q-point: ( 0.40 0.08 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.744 ( 8.056 9.235 2.084) 12.431 0.820 ( 1.649 5.419 -4.502) 7.235 0.920 ( 4.538 14.108 4.958) 15.627 0.979 ( -1.768 9.914 -1.285) 10.152 1.096 ( -3.625 4.748 2.474) 6.466 1.168 ( -6.984 8.001 -2.964) 11.026 1.233 ( -0.905 22.726 -2.373) 22.868 1.239 ( -1.877 15.325 -2.744) 15.682 1.329 ( -1.413 7.011 -3.162) 7.820 1.338 ( -1.779 9.393 -2.225) 9.815 1.528 ( 2.454 6.582 7.185) 10.048 1.570 ( -2.042 8.793 6.676) 11.228 1.655 ( 0.742 8.358 -3.776) 9.201 1.675 ( -0.944 8.945 -2.800) 9.420 1.799 ( 14.232 6.242 5.259) 16.406 1.900 ( 1.967 2.436 -2.606) 4.074 1.952 ( 6.759 3.570 5.461) 9.395 2.092 ( 7.099 5.164 -5.414) 10.314 2.184 ( 5.440 5.431 0.489) 7.703 2.262 ( 3.122 4.771 -1.553) 5.910 2.287 ( 0.355 11.251 1.379) 11.341 2.341 ( -2.949 10.602 -4.481) 11.882 2.438 ( -1.117 4.009 1.006) 4.282 2.444 ( 2.503 8.238 1.699) 8.776 2.509 ( 0.570 10.393 1.469) 10.512 2.527 ( -0.750 11.993 0.625) 12.033 2.670 ( 1.759 3.227 3.651) 5.181 2.723 ( -3.800 5.532 -2.845) 7.289 3.019 ( -4.002 -0.004 0.272) 4.011 3.046 ( -6.276 0.092 -2.256) 6.669 3.130 ( 7.826 1.599 3.686) 8.797 3.238 ( -0.937 -0.703 -6.952) 7.050 3.319 ( 8.271 0.079 3.848) 9.122 3.387 ( 7.985 -0.828 -2.581) 8.433 3.515 ( -5.125 -1.472 3.026) 6.131 3.534 ( -3.036 -0.527 1.175) 3.298 3.575 ( -0.217 2.585 0.776) 2.708 3.592 ( -0.801 3.400 -0.173) 3.497 3.611 ( -4.591 3.000 2.372) 5.976 3.691 ( -10.017 0.624 -4.050) 10.823 3.808 ( 0.028 0.812 0.902) 1.214 3.827 ( -1.953 0.991 -0.164) 2.197 3.836 ( -0.290 5.271 0.312) 5.288 3.843 ( -0.734 4.658 0.009) 4.716 3.944 ( 0.103 1.398 2.479) 2.848 3.989 ( -4.312 2.087 -1.511) 5.023 4.059 ( 0.230 1.496 1.087) 1.864 4.080 ( -1.366 4.074 1.265) 4.479 4.092 ( 1.093 3.888 -2.234) 4.615 4.104 ( 0.295 5.966 -1.148) 6.083 4.194 ( 0.325 6.354 4.057) 7.546 4.233 ( -3.161 5.760 1.183) 6.676 4.270 ( -1.015 0.509 -1.859) 2.178 4.289 ( -2.043 -0.080 -3.223) 3.817 4.380 ( 2.700 0.693 0.838) 2.910 4.412 ( 0.467 -1.177 -0.279) 1.296 4.425 ( -0.940 -0.115 0.321) 1.000 4.438 ( -3.013 -0.642 -1.284) 3.337 4.498 ( -0.616 -1.504 -3.998) 4.316 4.528 ( -3.142 -2.122 -5.302) 6.519 4.831 ( 1.955 -2.879 4.790) 5.920 4.839 ( 1.386 -2.902 2.862) 4.305 4.961 ( 4.420 -1.674 5.005) 6.884 5.019 ( 1.204 -1.625 4.362) 4.808 5.149 ( 3.630 -1.593 -0.169) 3.968 5.245 ( -1.812 -1.939 -6.396) 6.925 5.342 ( -0.075 -1.655 -3.551) 3.918 5.361 ( -2.705 -1.727 -5.399) 6.281 5.519 ( 3.562 -1.651 4.219) 5.763 5.530 ( 0.622 5.470 -0.003) 5.506 5.539 ( -0.004 7.362 -0.610) 7.388 5.578 ( 0.336 3.204 -1.090) 3.401 5.603 ( -0.516 -2.739 1.985) 3.422 5.649 ( -3.770 -1.136 -1.382) 4.172 5.784 ( 0.644 -1.941 5.933) 6.276 5.810 ( -1.506 -2.029 2.142) 3.313 5.893 ( -0.563 -2.417 -1.640) 2.974 5.894 ( -0.554 -3.045 -1.508) 3.443 6.135 ( 1.706 -0.504 2.134) 2.778 6.160 ( -0.542 -0.851 0.134) 1.018 6.230 ( 5.072 -5.059 3.581) 8.009 6.288 ( 0.336 -4.869 -1.740) 5.181 6.461 ( 3.613 -11.194 3.658) 12.318 6.504 ( 0.050 -13.306 1.335) 13.373 7.090 ( 6.096 -11.442 -7.075) 14.770 7.146 ( 1.435 -14.635 -10.594) 18.124 8.044 ( 0.135 -7.353 0.190) 7.357 8.046 ( -0.011 -7.399 0.025) 7.399 8.229 ( 2.410 3.695 0.323) 4.423 8.274 ( -1.242 5.991 -5.418) 8.173 8.775 ( -2.769 -6.541 9.873) 12.163 8.837 ( -7.797 -8.777 2.329) 11.968 10.211 ( 1.572 9.702 3.643) 10.482 10.255 ( -1.378 14.906 -0.651) 14.984 10.294 ( 0.355 7.985 0.364) 8.001 10.331 ( -4.451 0.934 -3.351) 5.649 10.828 ( -0.561 13.008 0.273) 13.023 10.833 ( -0.913 12.046 -0.186) 12.082 12.659 ( 0.026 -11.237 0.048) 11.238 12.660 ( -0.049 -11.224 -0.031) 11.224 13.851 ( 0.218 -14.165 0.205) 14.168 13.855 ( -0.177 -14.203 -0.217) 14.206 13.931 ( -0.003 -11.853 0.110) 11.853 13.932 ( -0.140 -11.428 -0.021) 11.429 14.369 ( 0.577 10.831 0.353) 10.852 14.377 ( -0.182 10.671 -0.460) 10.682 14.484 ( 0.566 12.908 0.783) 12.944 14.498 ( -0.777 12.868 -0.688) 12.910======================= Grid point 75 (28/42) =======================q-point: ( 0.00 0.15 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.704 ( 0.000 11.761 11.555) 16.487 0.941 ( 0.000 12.649 -8.107) 15.025 0.969 ( 0.000 12.744 -0.247) 12.746 1.122 ( 0.000 11.878 -10.851) 16.089 1.364 ( 0.000 6.973 2.894) 7.550 1.390 ( 0.000 10.193 -2.046) 10.396 1.492 ( 0.000 5.266 5.339) 7.500 1.532 ( 0.000 9.485 5.473) 10.951 1.580 ( 0.000 16.537 4.642) 17.176 1.601 ( 0.000 1.631 -3.120) 3.521 1.716 ( 0.000 18.058 0.540) 18.066 1.834 ( 0.000 6.891 -3.863) 7.900 1.851 ( 0.000 18.856 8.097) 20.521 1.933 ( 0.000 19.355 5.254) 20.055 1.983 ( 0.000 9.662 -1.305) 9.750 1.988 ( 0.000 2.774 0.163) 2.779 2.022 ( 0.000 21.608 -6.848) 22.668 2.078 ( 0.000 19.385 -6.633) 20.488 2.110 ( 0.000 15.027 -2.934) 15.311 2.162 ( 0.000 5.694 -5.020) 7.591 2.286 ( 0.000 6.566 3.948) 7.662 2.324 ( 0.000 4.377 1.231) 4.547 2.593 ( 0.000 8.319 -0.630) 8.343 2.623 ( 0.000 9.926 -3.592) 10.556 2.712 ( 0.000 12.032 7.909) 14.399 2.730 ( 0.000 13.851 2.692) 14.111 2.843 ( 0.000 16.092 -2.148) 16.235 2.858 ( 0.000 14.920 -0.814) 14.942 3.123 ( 0.000 4.435 7.168) 8.429 3.255 ( 0.000 0.711 -4.472) 4.528 3.259 ( 0.000 11.857 0.641) 11.874 3.318 ( 0.000 10.416 -5.704) 11.875 3.342 ( 0.000 3.852 3.333) 5.094 3.398 ( 0.000 2.837 -4.605) 5.409 3.623 ( 0.000 3.157 1.176) 3.369 3.634 ( 0.000 2.980 -0.576) 3.035 3.655 ( 0.000 3.835 -0.694) 3.897 3.667 ( 0.000 1.310 -0.677) 1.475 3.837 ( 0.000 1.028 8.155) 8.219 3.840 ( 0.000 1.487 1.164) 1.888 3.859 ( 0.000 1.857 -0.540) 1.934 3.913 ( 0.000 3.199 -0.787) 3.294 3.932 ( 0.000 4.476 -1.782) 4.818 3.992 ( 0.000 3.603 -6.034) 7.028 4.109 ( 0.000 2.960 0.234) 2.969 4.112 ( 0.000 2.648 -0.477) 2.691 4.149 ( 0.000 4.718 0.842) 4.793 4.158 ( 0.000 2.776 -0.324) 2.795 4.235 ( 0.000 0.918 1.887) 2.098 4.238 ( 0.000 1.889 3.001) 3.546 4.247 ( 0.000 3.315 2.726) 4.292 4.302 ( 0.000 1.445 -2.745) 3.102 4.324 ( 0.000 0.585 1.649) 1.749 4.373 ( 0.000 2.709 -0.624) 2.780 4.453 ( 0.000 -0.106 2.055) 2.057 4.470 ( 0.000 3.151 -1.847) 3.653 4.502 ( 0.000 5.491 -1.831) 5.788 4.539 ( 0.000 -4.691 -4.530) 6.521 4.662 ( 0.000 3.754 1.862) 4.191 4.675 ( 0.000 -0.693 1.008) 1.223 4.713 ( 0.000 0.013 0.761) 0.761 4.724 ( 0.000 1.002 0.215) 1.025 4.787 ( 0.000 0.071 2.358) 2.359 4.858 ( 0.000 3.053 -6.370) 7.064 5.001 ( 0.000 -0.846 4.633) 4.710 5.103 ( 0.000 -3.152 -5.457) 6.302 5.289 ( 0.000 -5.372 1.353) 5.540 5.295 ( 0.000 -0.441 1.744) 1.799 5.387 ( 0.000 -2.092 2.025) 2.912 5.423 ( 0.000 -2.234 -2.761) 3.552 5.490 ( 0.000 -1.427 3.017) 3.337 5.554 ( 0.000 -3.410 -1.879) 3.893 5.637 ( 0.000 -5.803 3.552) 6.804 5.723 ( 0.000 -6.599 -5.171) 8.384 5.755 ( 0.000 -8.171 1.149) 8.251 5.781 ( 0.000 -6.877 -1.037) 6.954 5.835 ( 0.000 -5.631 3.392) 6.574 5.905 ( 0.000 -5.325 -2.432) 5.854 5.944 ( 0.000 -2.982 0.635) 3.049 5.950 ( 0.000 3.928 0.303) 3.939 6.054 ( 0.000 -8.288 5.107) 9.735 6.158 ( 0.000 -9.957 -5.123) 11.197 6.264 ( 0.000 -0.951 0.084) 0.954 6.273 ( 0.000 0.468 -0.788) 0.917 6.631 ( 0.000 -10.777 2.810) 11.137 6.671 ( 0.000 -12.885 -1.232) 12.944 7.924 ( 0.000 -4.215 0.199) 4.220 7.929 ( 0.000 -3.670 -0.306) 3.682 8.166 ( 0.000 -3.440 3.028) 4.582 8.244 ( 0.000 -5.987 -5.181) 7.917 8.666 ( 0.000 -24.210 1.490) 24.256 8.680 ( 0.000 -24.957 0.404) 24.961 10.406 ( 0.000 7.516 5.019) 9.038 10.488 ( 0.000 5.124 -3.252) 6.069 10.721 ( 0.000 18.874 0.814) 18.892 10.755 ( 0.000 23.785 -2.698) 23.937 11.114 ( 0.000 12.896 2.302) 13.100 11.150 ( 0.000 13.487 -1.375) 13.557 12.409 ( 0.000 -12.271 0.403) 12.278 12.415 ( 0.000 -11.890 -0.234) 11.892 13.593 ( 0.000 -11.463 0.839) 11.494 13.611 ( 0.000 -10.888 -0.914) 10.926 13.703 ( 0.000 -12.198 2.241) 12.402 13.742 ( 0.000 -10.285 -1.644) 10.416 14.534 ( 0.000 6.658 -0.605) 6.686 14.537 ( 0.000 6.178 -1.050) 6.266 14.696 ( 0.000 9.260 2.805) 9.675 14.739 ( 0.000 9.359 -1.684) 9.510======================= Grid point 76 (29/42) =======================q-point: ( 0.20 0.15 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.836 ( 8.916 11.658 2.957) 14.972 0.943 ( 0.922 10.274 -8.227) 13.194 1.010 ( 4.523 13.055 6.868) 15.430 1.153 ( 0.461 9.364 -7.468) 11.986 1.340 ( -3.759 4.738 8.810) 10.686 1.410 ( 0.587 8.542 -0.985) 8.619 1.418 ( -1.599 9.130 -1.650) 9.415 1.508 ( -6.734 2.439 -8.442) 11.071 1.602 ( 2.438 13.809 4.697) 14.789 1.643 ( 4.022 11.917 2.094) 12.751 1.757 ( 1.655 14.023 5.356) 15.102 1.786 ( 1.648 9.517 6.084) 11.415 1.830 ( -0.864 20.493 3.532) 20.813 1.902 ( -2.891 12.951 -3.419) 13.703 1.938 ( -0.719 11.417 -2.159) 11.642 2.027 ( 2.831 20.432 -0.605) 20.636 2.061 ( 4.050 18.247 -8.159) 20.394 2.100 ( -2.276 10.218 -3.065) 10.908 2.164 ( 6.911 7.496 0.696) 10.219 2.237 ( 9.376 11.984 -4.462) 15.857 2.442 ( 7.685 7.520 2.365) 11.009 2.456 ( 11.950 7.216 4.523) 14.674 2.612 ( -0.748 9.407 -1.266) 9.521 2.651 ( 1.970 9.369 -3.201) 10.095 2.711 ( -1.394 12.154 3.967) 12.861 2.727 ( 4.039 8.930 4.676) 10.859 2.832 ( -0.788 15.162 -3.294) 15.535 2.851 ( -0.810 13.598 -0.834) 13.647 3.081 ( -4.027 4.406 6.454) 8.791 3.184 ( -5.542 2.676 -2.994) 6.844 3.240 ( -2.071 9.422 0.705) 9.673 3.300 ( -1.652 8.414 -5.474) 10.173 3.337 ( -0.311 5.704 1.395) 5.881 3.380 ( -0.629 5.002 -3.677) 6.240 3.586 ( -2.530 2.469 0.858) 3.638 3.599 ( -3.503 1.386 -0.260) 3.776 3.646 ( -0.469 3.355 0.314) 3.402 3.660 ( -0.184 2.989 -0.751) 3.087 3.771 ( -5.079 1.799 5.662) 7.816 3.826 ( -3.049 1.888 -0.945) 3.709 3.840 ( -1.256 0.581 2.906) 3.219 3.900 ( -1.918 1.503 -1.008) 2.637 3.936 ( 0.454 3.993 -0.823) 4.102 3.957 ( -2.427 3.819 -3.986) 6.031 4.070 ( -4.704 3.301 4.141) 7.083 4.105 ( -1.060 1.934 1.762) 2.823 4.126 ( -0.835 4.292 -2.223) 4.905 4.159 ( -0.668 3.515 -1.691) 3.957 4.191 ( -0.771 3.486 -0.139) 3.573 4.205 ( -2.271 3.319 -0.008) 4.022 4.267 ( -0.710 4.050 3.440) 5.361 4.322 ( 2.221 0.339 -1.000) 2.459 4.338 ( 1.682 1.872 -0.384) 2.546 4.351 ( -1.908 2.038 -2.246) 3.583 4.430 ( -2.169 2.194 1.952) 3.651 4.441 ( -2.518 2.085 0.963) 3.408 4.481 ( -2.330 2.245 -2.050) 3.831 4.510 ( -2.627 0.160 -3.719) 4.556 4.547 ( -4.864 6.627 3.519) 8.942 4.634 ( -3.227 3.226 -4.641) 6.508 4.745 ( 2.182 -1.018 3.787) 4.488 4.758 ( 1.558 -1.131 2.021) 2.792 4.828 ( 4.248 -2.005 1.306) 4.876 4.885 ( 3.572 -0.981 -4.302) 5.677 5.076 ( 3.116 -2.467 4.626) 6.099 5.155 ( 3.390 -3.555 -4.264) 6.505 5.320 ( -1.891 -3.581 2.762) 4.902 5.355 ( 4.220 -4.532 3.286) 7.010 5.391 ( -2.950 -2.710 -4.004) 5.664 5.413 ( 6.818 -2.236 -1.839) 7.407 5.560 ( 2.004 -2.242 0.511) 3.050 5.572 ( -2.236 -4.053 0.243) 4.635 5.637 ( 5.302 0.741 1.590) 5.585 5.664 ( -2.995 -5.872 -1.134) 6.689 5.753 ( -0.116 -4.899 1.536) 5.135 5.780 ( -1.554 -4.623 -0.799) 4.942 5.826 ( -0.652 -4.649 1.364) 4.888 5.860 ( -1.107 -3.494 -2.420) 4.392 6.015 ( 1.077 -8.303 3.493) 9.072 6.037 ( 6.417 -5.861 -0.232) 8.694 6.056 ( 2.956 -4.384 0.542) 5.315 6.116 ( -2.312 -9.273 -3.978) 10.352 6.272 ( 0.514 -0.880 0.419) 1.102 6.286 ( 1.179 -2.459 -0.642) 2.802 6.705 ( 6.001 -12.822 1.707) 14.259 6.747 ( 5.714 -14.774 -2.018) 15.968 7.926 ( 0.191 -4.141 0.192) 4.150 7.930 ( 0.144 -3.653 -0.283) 3.667 8.184 ( 1.831 -3.407 2.866) 4.814 8.264 ( 1.722 -6.059 -5.768) 8.541 8.616 ( -4.363 -21.168 2.900) 21.806 8.641 ( -3.528 -22.802 0.194) 23.074 10.380 ( -2.097 8.195 4.651) 9.653 10.460 ( -2.778 4.233 -3.457) 6.131 10.680 ( -2.877 21.926 0.791) 22.128 10.704 ( -3.567 24.840 -1.640) 25.148 11.113 ( -0.124 13.154 1.744) 13.270 11.142 ( -0.801 13.819 -1.256) 13.899 12.407 ( -0.093 -12.353 0.290) 12.357 12.412 ( -0.225 -12.055 -0.189) 12.058 13.594 ( 0.138 -11.435 0.692) 11.457 13.609 ( -0.182 -10.984 -0.717) 11.009 13.702 ( -0.026 -12.027 1.718) 12.149 13.733 ( -0.742 -10.526 -1.395) 10.644 14.532 ( 0.023 6.570 -0.089) 6.571 14.540 ( 0.093 6.063 -0.863) 6.125 14.697 ( 0.193 9.391 2.186) 9.644 14.733 ( -0.537 9.424 -1.485) 9.556======================= Grid point 77 (30/42) =======================q-point: ( 0.40 0.15 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.967 ( 3.849 12.314 -0.132) 12.902 0.991 ( 2.422 11.381 -2.157) 11.834 1.103 ( 2.898 5.993 1.944) 6.935 1.132 ( -0.824 6.359 -0.661) 6.446 1.272 ( -1.824 12.380 0.271) 12.516 1.316 ( -6.336 10.045 -3.697) 12.438 1.422 ( 1.644 7.523 3.006) 8.267 1.454 ( -0.615 7.785 0.199) 7.812 1.594 ( -1.520 6.179 0.179) 6.365 1.615 ( -3.144 5.648 -0.951) 6.533 1.784 ( -0.135 17.214 3.285) 17.525 1.792 ( -0.541 17.815 3.405) 18.146 1.901 ( 1.782 13.264 -0.656) 13.399 1.932 ( -0.147 15.254 -1.304) 15.310 1.984 ( 5.487 15.844 -1.078) 16.802 2.034 ( -1.881 14.808 -5.422) 15.881 2.112 ( 10.490 13.195 5.336) 17.681 2.231 ( 7.275 9.110 -5.159) 12.749 2.348 ( 8.660 10.660 3.307) 14.127 2.406 ( 3.933 10.137 0.067) 10.873 2.531 ( 1.435 12.987 -1.560) 13.158 2.562 ( -3.772 10.582 3.736) 11.839 2.569 ( -3.673 10.087 -4.421) 11.610 2.635 ( -2.727 10.813 -1.941) 11.319 2.722 ( 6.106 11.564 7.133) 14.896 2.800 ( -2.650 13.828 2.612) 14.320 2.822 ( 1.306 11.110 1.039) 11.235 2.879 ( 1.805 8.140 -6.385) 10.502 3.033 ( 0.655 3.003 1.856) 3.590 3.069 ( -4.042 2.667 -1.667) 5.122 3.228 ( 1.940 7.442 -0.416) 7.702 3.265 ( -1.151 4.794 -4.317) 6.553 3.355 ( 3.111 4.771 3.151) 6.510 3.404 ( 3.543 3.706 -1.708) 5.405 3.491 ( -7.339 -0.568 3.370) 8.096 3.528 ( -4.407 0.357 -0.367) 4.436 3.639 ( 0.057 4.327 1.192) 4.488 3.658 ( 0.020 3.024 0.156) 3.028 3.675 ( -2.572 4.156 1.072) 5.004 3.722 ( -6.071 2.667 -3.039) 7.294 3.813 ( -0.691 0.186 1.392) 1.565 3.833 ( -2.789 -0.086 -0.075) 2.791 3.935 ( 0.518 4.333 0.963) 4.469 3.947 ( -0.460 5.317 0.240) 5.342 4.011 ( -0.322 4.460 3.243) 5.524 4.044 ( -3.082 3.263 1.449) 4.717 4.108 ( -0.038 3.586 -1.950) 4.082 4.132 ( -2.056 3.769 -2.397) 4.917 4.190 ( 0.894 4.840 -2.153) 5.372 4.199 ( 0.484 3.579 -2.468) 4.374 4.272 ( 0.728 3.031 1.111) 3.310 4.299 ( -2.063 2.137 -1.876) 3.513 4.366 ( 0.686 4.252 1.904) 4.709 4.371 ( 1.346 1.363 0.171) 1.923 4.387 ( -0.932 5.218 3.218) 6.201 4.405 ( -0.677 0.476 0.839) 1.179 4.423 ( -2.081 -0.999 -0.829) 2.453 4.442 ( -2.931 5.909 1.806) 6.838 4.517 ( 0.827 3.661 -4.295) 5.704 4.565 ( -3.348 4.776 -6.337) 8.613 4.782 ( 1.161 -2.372 3.600) 4.465 4.786 ( 0.851 -2.692 2.485) 3.761 4.921 ( 4.659 -2.299 3.956) 6.530 4.976 ( 1.730 -3.009 1.370) 3.732 5.106 ( 2.514 -2.828 1.161) 3.958 5.188 ( -1.937 -4.072 -5.280) 6.944 5.295 ( -0.106 -3.148 -2.489) 4.015 5.312 ( -2.360 -3.144 -4.435) 5.926 5.451 ( 3.380 -4.189 4.359) 6.926 5.496 ( -0.142 -4.102 0.625) 4.151 5.528 ( -0.009 -4.720 -0.679) 4.769 5.548 ( -1.329 -4.035 -1.851) 4.634 5.668 ( 1.811 -0.293 5.096) 5.416 5.706 ( -1.457 2.323 3.014) 4.075 5.744 ( 1.424 -0.436 0.390) 1.540 5.761 ( -0.123 -2.894 -2.004) 3.523 5.819 ( -0.650 -3.648 -0.217) 3.712 5.831 ( -0.921 -3.654 -1.308) 3.989 6.038 ( 1.557 -12.977 1.671) 13.177 6.061 ( -0.771 -12.447 -0.821) 12.498 6.141 ( 3.154 -2.322 0.956) 4.031 6.157 ( 2.468 -7.384 0.102) 7.786 6.284 ( 0.834 -2.554 0.442) 2.723 6.300 ( -0.150 -4.296 -0.709) 4.357 6.816 ( 3.859 -15.755 -1.323) 16.275 6.836 ( 2.069 -16.684 -2.794) 17.043 7.930 ( 0.199 -3.947 0.102) 3.953 7.932 ( 0.003 -3.734 -0.121) 3.736 8.241 ( 3.486 -3.756 0.578) 5.157 8.290 ( -0.254 -5.223 -5.079) 7.290 8.533 ( -2.143 -17.598 4.293) 18.240 8.559 ( -3.763 -18.867 1.073) 19.269 10.351 ( 0.010 8.202 2.031) 8.450 10.389 ( -3.392 5.835 -1.766) 6.976 10.642 ( -0.623 23.587 0.417) 23.599 10.651 ( -1.463 24.084 -0.451) 24.132 11.112 ( 0.125 13.938 0.591) 13.951 11.122 ( -0.911 14.305 -0.478) 14.342 12.406 ( 0.001 -12.458 0.099) 12.458 12.408 ( -0.158 -12.349 -0.063) 12.351 13.598 ( 0.242 -11.357 0.292) 11.363 13.604 ( -0.269 -11.192 -0.238) 11.197 13.705 ( 0.353 -11.663 0.614) 11.684 13.717 ( -0.752 -11.094 -0.534) 11.132 14.535 ( 0.242 6.243 0.105) 6.248 14.539 ( -0.135 6.019 -0.292) 6.028 14.705 ( 0.591 9.509 0.772) 9.558 14.719 ( -0.741 9.490 -0.657) 9.542======================= Grid point 80 (31/42) =======================q-point: ( 0.00 0.23 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.940 ( 0.000 12.430 6.534) 14.042 1.092 ( 0.000 7.824 -9.558) 12.351 1.290 ( 0.000 13.747 1.519) 13.831 1.343 ( 0.000 9.883 -4.399) 10.818 1.461 ( 0.000 5.079 7.707) 9.230 1.579 ( 0.000 5.382 -5.350) 7.588 1.639 ( 0.000 8.801 4.305) 9.798 1.655 ( 0.000 11.130 -1.601) 11.244 1.708 ( 0.000 6.237 1.411) 6.395 1.830 ( 0.000 8.267 -8.120) 11.588 1.863 ( 0.000 3.343 5.166) 6.154 1.910 ( 0.000 2.790 0.961) 2.951 2.098 ( 0.000 8.686 4.346) 9.713 2.099 ( 0.000 5.725 4.646) 7.373 2.220 ( 0.000 8.128 -2.987) 8.660 2.251 ( 0.000 5.360 -3.759) 6.546 2.293 ( 0.000 14.370 3.971) 14.908 2.383 ( 0.000 9.674 -4.593) 10.709 2.428 ( 0.000 13.234 0.586) 13.247 2.445 ( 0.000 16.389 -1.891) 16.498 2.474 ( 0.000 18.742 1.937) 18.842 2.527 ( 0.000 19.424 -2.355) 19.567 2.772 ( 0.000 10.551 -0.563) 10.566 2.799 ( 0.000 8.232 -3.577) 8.976 2.973 ( 0.000 13.852 6.482) 15.294 3.005 ( 0.000 12.368 3.741) 12.922 3.113 ( 0.000 10.304 -1.986) 10.494 3.113 ( 0.000 10.149 -2.448) 10.440 3.241 ( 0.000 9.176 3.197) 9.717 3.304 ( 0.000 6.261 -3.668) 7.256 3.423 ( 0.000 7.122 -1.125) 7.210 3.437 ( 0.000 3.985 -2.774) 4.855 3.569 ( 0.000 15.650 3.871) 16.122 3.614 ( 0.000 13.431 -0.149) 13.432 3.671 ( 0.000 0.571 5.640) 5.669 3.671 ( 0.000 1.840 0.397) 1.883 3.695 ( 0.000 2.927 -2.120) 3.613 3.760 ( 0.000 6.553 -2.397) 6.977 3.869 ( 0.000 1.584 1.852) 2.437 3.879 ( 0.000 1.988 0.660) 2.095 3.909 ( 0.000 5.939 3.645) 6.969 3.971 ( 0.000 3.124 -1.009) 3.283 4.017 ( 0.000 4.306 -3.503) 5.551 4.021 ( 0.000 -0.212 -6.738) 6.742 4.160 ( 0.000 3.040 0.861) 3.159 4.171 ( 0.000 2.816 -0.399) 2.844 4.221 ( 0.000 3.435 1.587) 3.784 4.238 ( 0.000 3.999 -0.659) 4.053 4.269 ( 0.000 3.193 1.244) 3.427 4.271 ( 0.000 2.435 -0.131) 2.439 4.329 ( 0.000 4.212 1.635) 4.518 4.348 ( 0.000 2.083 0.717) 2.203 4.380 ( 0.000 4.297 0.123) 4.299 4.430 ( 0.000 3.499 -2.586) 4.351 4.450 ( 0.000 0.650 1.086) 1.266 4.459 ( 0.000 -2.371 -0.409) 2.406 4.559 ( 0.000 5.207 1.763) 5.497 4.610 ( 0.000 4.910 -3.327) 5.931 4.644 ( 0.000 -2.001 0.322) 2.026 4.672 ( 0.000 -1.985 -2.393) 3.110 4.724 ( 0.000 0.135 4.153) 4.156 4.762 ( 0.000 2.982 0.174) 2.987 4.834 ( 0.000 4.592 3.345) 5.681 4.907 ( 0.000 2.606 -3.207) 4.132 4.988 ( 0.000 -0.220 1.660) 1.675 5.038 ( 0.000 -2.943 -2.770) 4.042 5.187 ( 0.000 -4.585 4.100) 6.150 5.234 ( 0.000 -3.994 -0.315) 4.007 5.361 ( 0.000 -1.876 -0.644) 1.984 5.375 ( 0.000 -2.707 -2.808) 3.900 5.450 ( 0.000 -3.085 -1.828) 3.586 5.453 ( 0.000 -5.842 -1.090) 5.942 5.537 ( 0.000 -4.358 2.591) 5.070 5.580 ( 0.000 -6.678 -2.631) 7.177 5.637 ( 0.000 -4.929 1.102) 5.050 5.662 ( 0.000 -5.319 -1.430) 5.507 5.720 ( 0.000 -5.876 2.661) 6.451 5.775 ( 0.000 -7.891 -2.705) 8.342 5.826 ( 0.000 -7.475 7.934) 10.901 5.941 ( 0.000 -6.805 -4.109) 7.949 5.967 ( 0.000 -1.598 2.158) 2.686 6.006 ( 0.000 -3.297 -1.740) 3.728 6.294 ( 0.000 3.090 0.360) 3.111 6.312 ( 0.000 2.794 -1.307) 3.084 6.413 ( 0.000 -10.834 0.550) 10.848 6.414 ( 0.000 -12.554 0.394) 12.560 7.874 ( 0.000 -1.952 0.442) 2.001 7.885 ( 0.000 -2.037 -0.604) 2.125 8.038 ( 0.000 -9.457 0.386) 9.465 8.048 ( 0.000 -13.013 -0.641) 13.029 8.204 ( 0.000 -22.098 1.688) 22.162 8.234 ( 0.000 -20.426 -1.330) 20.469 10.556 ( 0.000 7.164 0.739) 7.202 10.571 ( 0.000 4.096 -0.692) 4.155 11.138 ( 0.000 20.459 2.007) 20.557 11.180 ( 0.000 9.666 -2.163) 9.905 11.251 ( 0.000 -3.053 0.113) 3.055 11.255 ( 0.000 9.240 -0.415) 9.249 12.305 ( 0.000 3.412 0.973) 3.548 12.321 ( 0.000 3.576 -0.663) 3.637 13.432 ( 0.000 -4.763 1.520) 4.999 13.463 ( 0.000 -3.945 -1.586) 4.252 13.468 ( 0.000 -11.676 3.832) 12.289 13.541 ( 0.000 -10.136 -3.478) 10.716 14.606 ( 0.000 1.096 -0.081) 1.099 14.613 ( 0.000 1.692 -0.687) 1.826 14.826 ( 0.000 4.186 2.495) 4.873 14.869 ( 0.000 3.972 -1.846) 4.380======================= Grid point 81 (32/42) =======================q-point: ( 0.20 0.23 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.034 ( 7.199 9.561 3.742) 12.539 1.120 ( 2.393 8.238 -5.650) 10.271 1.287 ( -0.170 12.430 2.305) 12.643 1.332 ( -3.457 9.723 -1.025) 10.370 1.436 ( 1.445 5.524 2.948) 6.426 1.533 ( -3.137 2.440 -5.967) 7.170 1.617 ( -1.510 11.794 0.493) 11.901 1.645 ( -1.767 12.663 -2.718) 13.071 1.802 ( 0.215 3.812 5.494) 6.690 1.807 ( -2.078 8.209 4.452) 9.567 1.868 ( 2.864 4.946 2.481) 6.230 1.936 ( 6.094 5.520 -3.687) 9.011 2.041 ( 0.926 7.527 -0.632) 7.610 2.107 ( -3.395 7.931 -5.924) 10.465 2.272 ( 7.026 8.379 5.312) 12.157 2.319 ( 3.788 15.452 1.967) 16.030 2.373 ( 3.063 10.674 5.333) 12.319 2.432 ( 2.528 19.126 -2.009) 19.396 2.485 ( 3.230 19.087 -3.110) 19.606 2.498 ( 3.405 12.452 -4.611) 13.708 2.546 ( 9.554 8.224 0.597) 12.620 2.582 ( 9.595 8.055 -2.711) 12.818 2.789 ( 2.005 7.401 -0.299) 7.673 2.805 ( 0.837 9.615 -2.466) 9.961 2.936 ( -3.510 12.225 6.438) 14.255 2.984 ( -2.079 12.782 2.538) 13.196 3.079 ( -3.196 9.454 -1.077) 10.037 3.092 ( -2.625 9.927 -1.965) 10.455 3.206 ( -3.235 8.695 3.525) 9.924 3.279 ( -2.676 7.881 -4.059) 9.260 3.398 ( -2.354 7.042 -0.689) 7.457 3.427 ( -0.702 6.481 -3.454) 7.378 3.559 ( -1.129 14.415 3.959) 14.991 3.600 ( -2.506 6.403 3.016) 7.508 3.616 ( -2.680 7.508 -0.567) 7.992 3.637 ( -3.684 2.787 -0.114) 4.621 3.697 ( 0.355 2.976 0.904) 3.130 3.755 ( -0.759 5.955 -2.771) 6.611 3.849 ( -2.474 4.236 1.396) 5.100 3.856 ( -1.658 1.533 1.013) 2.475 3.884 ( -2.022 6.286 1.786) 6.840 3.924 ( -5.092 2.493 -3.355) 6.588 3.988 ( 0.251 1.880 0.398) 1.938 4.031 ( 0.406 3.536 -3.506) 4.996 4.126 ( -3.098 3.124 2.461) 5.041 4.171 ( -0.926 4.162 -0.059) 4.264 4.212 ( -1.711 2.780 -0.812) 3.364 4.224 ( 0.409 3.670 -0.630) 3.746 4.245 ( -0.911 3.698 1.388) 4.054 4.274 ( -0.496 2.965 -1.292) 3.272 4.347 ( 0.255 2.804 0.885) 2.951 4.358 ( 0.456 3.854 2.215) 4.468 4.371 ( 0.578 2.512 -1.477) 2.971 4.408 ( -1.575 3.056 -3.044) 4.592 4.431 ( -1.535 0.381 0.890) 1.816 4.441 ( -1.636 -1.115 -0.286) 2.001 4.538 ( -1.416 5.806 2.920) 6.651 4.605 ( 0.057 5.361 -4.233) 6.831 4.662 ( 0.914 -0.904 1.081) 1.680 4.679 ( -1.947 4.321 0.016) 4.739 4.719 ( -0.101 -0.901 2.730) 2.876 4.745 ( 0.262 -0.155 0.309) 0.434 4.813 ( 1.149 1.525 2.741) 3.340 4.889 ( -0.940 1.638 -4.906) 5.257 5.027 ( 2.622 -1.979 3.039) 4.475 5.076 ( 2.029 -4.114 -2.385) 5.170 5.233 ( 1.058 -4.237 3.708) 5.729 5.268 ( 1.043 -4.192 2.170) 4.834 5.333 ( -0.302 -2.961 -2.515) 3.897 5.370 ( 2.161 -2.589 -3.033) 4.536 5.453 ( -1.528 -5.877 -0.738) 6.117 5.491 ( -1.440 -5.721 -3.519) 6.869 5.558 ( 2.022 -4.080 3.581) 5.793 5.619 ( 7.557 -3.085 -2.290) 8.477 5.665 ( 2.603 -4.318 1.267) 5.199 5.686 ( 1.410 -4.698 -0.458) 4.927 5.728 ( 1.152 -5.453 0.880) 5.643 5.758 ( -1.006 -6.883 -2.017) 7.243 5.808 ( -1.652 -8.307 7.674) 11.430 5.915 ( -4.670 -7.689 -3.403) 9.618 5.967 ( 0.493 -3.467 1.818) 3.946 6.011 ( 2.440 -3.644 -2.830) 5.219 6.303 ( 0.833 3.350 0.516) 3.491 6.317 ( 0.491 3.761 -0.799) 3.876 6.454 ( 3.241 -12.767 0.653) 13.188 6.461 ( 3.503 -14.093 -0.119) 14.522 7.878 ( 0.353 -1.798 0.454) 1.888 7.888 ( 0.262 -1.762 -0.553) 1.865 8.050 ( 1.211 -10.115 0.468) 10.198 8.063 ( 1.387 -13.441 -0.768) 13.534 8.187 ( -1.585 -21.364 1.808) 21.498 8.219 ( -1.512 -19.704 -1.415) 19.813 10.542 ( -1.229 7.614 0.619) 7.737 10.554 ( -1.459 4.997 -0.582) 5.238 11.127 ( -0.807 21.976 1.775) 22.062 11.168 ( -1.352 17.312 -2.516) 17.546 11.236 ( -0.663 0.313 1.146) 1.360 11.252 ( -0.466 -1.159 -0.667) 1.416 12.304 ( -0.143 3.474 0.753) 3.557 12.316 ( -0.440 3.633 -0.557) 3.702 13.433 ( 0.106 -4.809 1.343) 4.994 13.457 ( -0.491 -5.253 -0.043) 5.277 13.472 ( 0.353 -10.392 1.839) 10.560 13.530 ( -1.013 -10.163 -2.938) 10.627 14.606 ( 0.011 1.156 -0.030) 1.157 14.611 ( -0.130 1.554 -0.450) 1.623 14.829 ( 0.307 4.221 1.962) 4.665 14.864 ( -0.451 4.029 -1.550) 4.341======================= Grid point 82 (33/42) =======================q-point: ( 0.40 0.23 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.155 ( 4.005 6.352 1.124) 7.593 1.186 ( 3.387 5.618 -1.972) 6.850 1.247 ( -3.108 11.119 1.247) 11.612 1.273 ( -1.942 9.976 -0.850) 10.198 1.479 ( 1.649 7.668 1.325) 7.954 1.504 ( -0.096 8.194 -0.600) 8.217 1.610 ( 1.968 5.795 -0.584) 6.148 1.621 ( 0.175 11.853 -1.665) 11.971 1.680 ( -5.275 8.889 2.510) 10.637 1.713 ( -6.356 5.800 -0.673) 8.631 1.993 ( 1.116 8.874 1.552) 9.077 2.027 ( -1.938 9.011 -0.176) 9.219 2.086 ( 9.915 6.884 1.985) 12.233 2.180 ( 6.273 10.033 -5.312) 12.970 2.277 ( -1.374 7.744 3.480) 8.601 2.366 ( -3.732 11.294 -5.256) 13.004 2.470 ( 3.369 22.690 2.629) 23.089 2.486 ( 3.055 14.689 2.406) 15.195 2.568 ( 7.980 13.333 1.624) 15.623 2.630 ( 6.736 12.869 -2.952) 14.822 2.738 ( 3.828 7.714 -1.306) 8.710 2.756 ( 4.061 9.130 -3.859) 10.712 2.797 ( -3.271 11.779 5.782) 13.522 2.873 ( 0.699 10.186 -1.403) 10.306 2.930 ( 8.158 1.048 1.058) 8.293 2.943 ( 0.975 12.555 -0.067) 12.593 2.984 ( -2.822 6.726 2.119) 7.596 3.031 ( -1.844 9.521 -2.038) 9.909 3.124 ( -5.113 4.110 2.643) 7.072 3.169 ( -8.000 6.891 -1.590) 10.678 3.364 ( -0.432 7.523 0.381) 7.545 3.392 ( -2.813 3.993 -1.797) 5.204 3.513 ( -1.461 9.020 3.128) 9.658 3.549 ( -3.975 5.075 0.151) 6.448 3.561 ( -0.138 9.819 -1.513) 9.936 3.582 ( -1.865 11.941 -3.252) 12.515 3.709 ( 0.869 3.101 -0.116) 3.223 3.729 ( -1.163 4.061 -2.042) 4.691 3.796 ( -2.238 3.775 0.382) 4.405 3.799 ( -2.509 4.911 -0.044) 5.515 3.851 ( -0.443 7.590 2.097) 7.886 3.860 ( -1.333 5.897 1.257) 6.175 4.005 ( 1.249 2.733 1.746) 3.476 4.031 ( -0.792 3.281 -0.518) 3.415 4.090 ( 0.106 4.113 2.842) 5.001 4.128 ( -2.833 4.603 3.537) 6.460 4.179 ( 0.479 2.920 -5.025) 5.832 4.217 ( -1.986 3.701 -3.971) 5.781 4.253 ( 0.845 2.721 0.288) 2.864 4.263 ( -0.060 2.458 -0.434) 2.497 4.340 ( -0.151 3.883 0.016) 3.886 4.351 ( -1.322 3.530 -1.459) 4.042 4.382 ( 0.516 1.552 0.700) 1.779 4.397 ( -0.863 -0.103 -0.618) 1.067 4.409 ( -0.025 1.423 -0.054) 1.424 4.413 ( -0.328 1.963 -0.411) 2.032 4.530 ( 1.163 6.780 5.087) 8.555 4.583 ( -3.294 5.505 3.353) 7.238 4.640 ( 0.970 8.864 -4.006) 9.776 4.670 ( -1.047 4.774 -2.385) 5.438 4.725 ( 0.705 -3.316 3.093) 4.589 4.742 ( -0.859 -1.511 1.298) 2.169 4.878 ( 3.280 -2.613 -0.421) 4.214 4.903 ( 1.447 -3.771 -3.004) 5.034 5.051 ( 0.821 -2.379 2.259) 3.382 5.093 ( -1.470 -5.013 -2.169) 5.656 5.234 ( 0.485 -2.733 -0.291) 2.791 5.250 ( -1.326 -3.009 -1.942) 3.819 5.371 ( 2.506 -4.060 2.385) 5.334 5.404 ( -0.430 -5.133 -0.074) 5.152 5.422 ( 0.087 -6.021 -1.019) 6.107 5.455 ( -1.690 -5.328 -2.518) 6.131 5.618 ( 2.787 -3.212 5.558) 6.998 5.668 ( -2.150 -3.626 5.005) 6.544 5.685 ( 1.823 -3.811 -1.510) 4.487 5.727 ( -1.653 -4.507 -2.174) 5.269 5.766 ( 1.602 -6.118 1.013) 6.405 5.782 ( 1.780 -2.673 -0.131) 3.215 5.813 ( 2.395 -5.239 -0.106) 5.762 5.824 ( -2.212 -7.212 -1.061) 7.618 5.999 ( 2.478 -8.101 0.249) 8.475 6.039 ( -0.467 -7.396 -3.368) 8.140 6.321 ( 0.693 4.254 0.390) 4.328 6.326 ( 0.188 4.461 -0.101) 4.466 6.512 ( 1.902 -15.498 0.245) 15.616 6.517 ( 1.445 -16.121 -0.310) 16.189 7.886 ( 0.384 -1.504 0.293) 1.580 7.891 ( -0.039 -1.438 -0.180) 1.450 8.085 ( 2.021 -12.286 0.569) 12.464 8.100 ( 1.743 -12.485 -1.085) 12.653 8.150 ( -1.441 -20.522 1.592) 20.634 8.175 ( -2.586 -18.600 -1.077) 18.809 10.519 ( -0.626 8.027 0.252) 8.055 10.524 ( -1.077 6.943 -0.236) 7.030 11.118 ( 0.094 24.348 0.774) 24.360 11.135 ( -1.497 24.255 -0.925) 24.318 11.232 ( 0.179 -3.590 0.490) 3.628 11.241 ( -0.586 -3.855 -0.370) 3.916 12.302 ( 0.061 3.582 0.267) 3.593 12.307 ( -0.404 3.661 -0.224) 3.690 13.437 ( 0.315 -4.972 0.920) 5.066 13.446 ( -0.518 -5.164 0.454) 5.210 13.484 ( 0.821 -10.393 0.252) 10.429 13.505 ( -1.230 -10.285 -1.494) 10.465 14.607 ( 0.060 1.229 0.012) 1.230 14.609 ( -0.114 1.327 -0.119) 1.337 14.839 ( 0.596 4.226 0.706) 4.326 14.852 ( -0.670 4.142 -0.637) 4.243======================= Grid point 85 (34/42) =======================q-point: ( 0.00 0.31 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.171 ( 0.000 11.190 2.961) 11.575 1.243 ( 0.000 7.594 -4.835) 9.003 1.419 ( 0.000 1.923 3.314) 3.831 1.456 ( 0.000 1.841 -1.227) 2.213 1.631 ( 0.000 10.311 1.453) 10.413 1.671 ( 0.000 5.811 -1.682) 6.049 1.749 ( 0.000 -0.496 0.760) 0.908 1.775 ( 0.000 -2.220 -1.361) 2.604 1.854 ( 0.000 8.361 4.254) 9.380 1.950 ( 0.000 12.742 -4.814) 13.621 2.021 ( 0.000 10.301 0.641) 10.321 2.035 ( 0.000 9.136 -2.160) 9.388 2.183 ( 0.000 2.672 4.059) 4.859 2.214 ( 0.000 3.126 0.469) 3.161 2.304 ( 0.000 3.204 -2.015) 3.785 2.325 ( 0.000 2.981 3.441) 4.553 2.404 ( 0.000 3.170 -2.108) 3.807 2.535 ( 0.000 5.108 -8.174) 9.639 2.641 ( 0.000 4.308 6.644) 7.918 2.743 ( 0.000 13.696 3.886) 14.236 2.800 ( 0.000 9.654 -1.937) 9.847 2.871 ( 0.000 15.146 -2.770) 15.397 2.941 ( 0.000 10.306 2.032) 10.504 3.019 ( 0.000 14.255 -4.529) 14.957 3.166 ( 0.000 5.160 3.269) 6.108 3.212 ( 0.000 5.139 5.499) 7.527 3.243 ( 0.000 10.001 -4.747) 11.070 3.274 ( 0.000 7.756 1.883) 7.982 3.450 ( 0.000 10.604 0.952) 10.647 3.462 ( 0.000 4.198 -1.568) 4.482 3.515 ( 0.000 6.083 1.130) 6.187 3.558 ( 0.000 5.021 -2.555) 5.633 3.623 ( 0.000 -0.820 2.947) 3.059 3.694 ( 0.000 -0.265 -4.176) 4.184 3.764 ( 0.000 4.722 2.703) 5.441 3.813 ( 0.000 8.372 1.538) 8.512 3.848 ( 0.000 2.015 -0.026) 2.016 3.862 ( 0.000 6.056 -1.869) 6.338 3.903 ( 0.000 2.708 0.026) 2.708 3.905 ( 0.000 3.058 -3.850) 4.917 4.019 ( 0.000 2.511 3.007) 3.917 4.062 ( 0.000 6.876 1.522) 7.043 4.074 ( 0.000 5.388 0.562) 5.417 4.117 ( 0.000 6.604 -4.847) 8.192 4.207 ( 0.000 1.711 0.112) 1.715 4.217 ( 0.000 3.025 -2.550) 3.957 4.263 ( 0.000 1.859 2.597) 3.193 4.302 ( 0.000 2.857 -1.813) 3.384 4.335 ( 0.000 3.257 1.313) 3.511 4.352 ( 0.000 2.817 -0.390) 2.844 4.384 ( 0.000 1.962 1.033) 2.217 4.405 ( 0.000 3.617 -0.293) 3.629 4.434 ( 0.000 2.776 3.774) 4.685 4.486 ( 0.000 2.660 0.756) 2.765 4.489 ( 0.000 3.550 -1.101) 3.717 4.506 ( 0.000 5.149 -1.746) 5.437 4.596 ( 0.000 -1.600 0.087) 1.602 4.601 ( 0.000 -1.764 -0.264) 1.784 4.696 ( 0.000 -0.236 2.697) 2.707 4.711 ( 0.000 4.358 -0.724) 4.418 4.715 ( 0.000 5.887 3.934) 7.081 4.835 ( 0.000 4.471 -6.147) 7.601 4.933 ( 0.000 5.192 1.328) 5.360 4.968 ( 0.000 3.458 -2.394) 4.206 5.014 ( 0.000 3.416 0.663) 3.480 5.019 ( 0.000 1.362 -0.089) 1.365 5.127 ( 0.000 -1.426 5.197) 5.389 5.186 ( 0.000 -0.840 0.554) 1.006 5.296 ( 0.000 -4.519 -0.824) 4.594 5.318 ( 0.000 -3.265 -3.225) 4.589 5.368 ( 0.000 -2.690 -0.990) 2.866 5.372 ( 0.000 -4.063 -3.581) 5.416 5.468 ( 0.000 -2.884 1.748) 3.372 5.481 ( 0.000 -5.009 0.458) 5.030 5.547 ( 0.000 -3.485 -0.025) 3.485 5.567 ( 0.000 -4.590 -2.003) 5.008 5.631 ( 0.000 -3.188 1.604) 3.569 5.654 ( 0.000 -3.341 0.394) 3.364 5.710 ( 0.000 -4.919 5.483) 7.366 5.800 ( 0.000 -6.401 -3.010) 7.074 5.939 ( 0.000 -1.551 0.631) 1.674 5.951 ( 0.000 -3.048 -0.727) 3.133 6.137 ( 0.000 -13.081 1.028) 13.121 6.165 ( 0.000 -11.422 -1.935) 11.585 6.418 ( 0.000 6.390 1.239) 6.509 6.433 ( 0.000 6.693 -0.350) 6.702 7.689 ( 0.000 -17.190 -0.024) 17.190 7.691 ( 0.000 -17.831 -0.287) 17.833 7.891 ( 0.000 -6.788 0.814) 6.836 7.906 ( 0.000 -4.299 -0.788) 4.370 7.924 ( 0.000 -4.285 0.462) 4.309 7.932 ( 0.000 -8.609 -0.315) 8.615 10.626 ( 0.000 1.180 1.299) 1.755 10.652 ( 0.000 2.362 -1.303) 2.698 11.014 ( 0.000 -13.866 0.300) 13.869 11.019 ( 0.000 -14.281 -0.276) 14.283 11.553 ( 0.000 18.536 2.640) 18.723 11.611 ( 0.000 17.313 -3.148) 17.597 12.459 ( 0.000 8.072 0.086) 8.073 12.460 ( 0.000 6.746 0.027) 6.746 13.279 ( 0.000 -5.733 5.023) 7.622 13.377 ( 0.000 -4.905 -4.924) 6.950 13.432 ( 0.000 3.995 2.165) 4.544 13.473 ( 0.000 4.183 -1.962) 4.620 14.589 ( 0.000 -2.526 0.915) 2.687 14.609 ( 0.000 -1.638 -1.160) 2.007 14.858 ( 0.000 -0.824 1.850) 2.025 14.891 ( 0.000 -1.575 -1.535) 2.199======================= Grid point 86 (35/42) =======================q-point: ( 0.20 0.31 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.205 ( 2.504 7.978 2.354) 8.687 1.259 ( 0.773 6.008 -3.250) 6.874 1.433 ( 1.506 5.433 3.804) 6.801 1.496 ( 3.048 3.192 -2.827) 5.241 1.571 ( -3.279 9.477 0.966) 10.074 1.612 ( -3.467 5.766 -3.526) 7.596 1.775 ( -2.866 2.355 3.403) 5.034 1.824 ( -2.281 2.424 -1.170) 3.528 1.883 ( 9.085 2.226 5.112) 10.660 1.958 ( 0.756 12.172 -1.524) 12.291 1.997 ( -0.437 12.676 1.720) 12.799 2.065 ( 4.794 7.085 -5.761) 10.313 2.184 ( 1.527 6.986 0.818) 7.198 2.239 ( -0.951 6.041 -5.233) 8.049 2.379 ( 8.810 2.164 5.039) 10.378 2.416 ( 4.115 -0.203 7.044) 8.160 2.480 ( 8.028 1.486 -5.620) 9.912 2.570 ( 1.845 3.808 -7.131) 8.292 2.650 ( 2.620 3.313 6.524) 7.772 2.792 ( 3.436 12.190 5.587) 13.842 2.813 ( 2.581 6.798 -7.045) 10.124 2.864 ( 0.625 15.481 -1.412) 15.558 2.948 ( 0.650 11.728 1.860) 11.893 3.009 ( -0.923 11.927 -3.610) 12.496 3.124 ( -5.198 5.664 6.505) 10.070 3.185 ( -2.265 9.028 4.085) 10.165 3.214 ( -2.471 4.997 -2.752) 6.217 3.257 ( -1.318 9.524 -2.634) 9.969 3.399 ( -4.031 9.889 2.153) 10.894 3.453 ( -1.316 6.414 -2.919) 7.169 3.500 ( -2.861 4.061 1.408) 5.163 3.546 ( -1.830 5.881 -2.957) 6.832 3.616 ( -0.302 0.900 2.846) 3.000 3.682 ( 0.242 4.520 -2.458) 5.151 3.738 ( -2.509 3.652 2.140) 4.921 3.812 ( -0.781 7.576 -1.485) 7.759 3.833 ( -0.843 4.559 -0.213) 4.641 3.851 ( -0.992 2.136 1.371) 2.725 3.884 ( -2.093 3.643 -2.845) 5.074 3.907 ( 0.572 5.367 -0.964) 5.483 4.008 ( -0.854 3.287 2.325) 4.116 4.044 ( -2.118 6.181 -1.260) 6.654 4.064 ( -0.397 7.065 2.539) 7.518 4.107 ( -0.285 4.962 -2.657) 5.636 4.187 ( -2.090 3.398 1.199) 4.166 4.221 ( -0.784 1.228 -1.637) 2.191 4.255 ( -0.522 2.123 0.640) 2.278 4.285 ( -0.343 3.865 -1.873) 4.308 4.322 ( -1.935 4.128 1.809) 4.905 4.338 ( -1.166 2.857 0.198) 3.092 4.398 ( 0.788 1.795 1.047) 2.223 4.404 ( 0.672 3.053 1.301) 3.386 4.428 ( -0.402 1.909 0.953) 2.171 4.457 ( -1.400 1.950 1.122) 2.650 4.473 ( -1.421 3.702 -2.220) 4.545 4.490 ( -1.165 4.427 -1.901) 4.957 4.607 ( 1.173 -1.922 1.808) 2.887 4.643 ( 2.358 1.067 -0.829) 2.718 4.689 ( -1.253 0.560 4.715) 4.911 4.694 ( 0.455 2.412 -0.244) 2.467 4.716 ( -0.077 4.268 -0.589) 4.309 4.793 ( -2.411 3.166 -4.250) 5.823 4.896 ( -2.474 5.489 1.301) 6.160 4.932 ( -2.129 2.680 -2.404) 4.182 5.028 ( -0.351 0.059 1.142) 1.196 5.034 ( 1.794 2.771 0.309) 3.316 5.176 ( 2.223 -1.675 3.253) 4.281 5.213 ( 0.446 -1.331 1.968) 2.417 5.276 ( -0.131 -2.899 -2.359) 3.740 5.316 ( -0.204 -2.966 -3.827) 4.846 5.354 ( -1.594 -3.663 0.339) 4.009 5.394 ( -0.855 -3.743 -2.576) 4.624 5.497 ( 3.049 -2.777 2.346) 4.744 5.531 ( 6.904 -6.268 -0.244) 9.328 5.577 ( 1.632 -3.449 0.220) 3.821 5.596 ( 2.582 -3.666 -1.669) 4.785 5.637 ( 0.901 -3.374 1.812) 3.935 5.656 ( 0.806 -3.031 -0.381) 3.160 5.714 ( 0.716 -3.116 4.244) 5.314 5.788 ( -1.814 -5.310 -2.408) 6.107 5.918 ( -1.816 -1.979 0.687) 2.772 5.937 ( -0.920 -3.829 -1.441) 4.193 6.169 ( 2.491 -13.673 0.740) 13.918 6.189 ( 1.875 -12.365 -1.264) 12.570 6.421 ( 0.274 6.212 1.085) 6.311 6.436 ( 0.153 6.462 -0.374) 6.474 7.694 ( 0.473 -17.627 0.227) 17.634 7.699 ( 0.638 -17.917 -0.141) 17.929 7.891 ( 0.039 -7.369 0.694) 7.401 7.906 ( -0.043 -5.136 -0.796) 5.198 7.921 ( -0.210 -3.467 0.379) 3.494 7.929 ( -0.320 -7.462 -0.389) 7.479 10.622 ( -0.283 1.624 1.054) 1.956 10.643 ( -0.746 2.564 -1.061) 2.873 11.017 ( 0.316 -13.997 0.243) 14.002 11.022 ( 0.225 -14.317 -0.242) 14.321 11.550 ( -0.275 18.882 2.122) 19.003 11.595 ( -1.371 17.971 -2.462) 18.191 12.458 ( -0.076 7.860 0.060) 7.860 12.459 ( -0.069 7.201 -0.000) 7.201 13.284 ( 0.538 -5.585 4.185) 6.999 13.361 ( -1.366 -4.616 -3.209) 5.785 13.436 ( 0.335 3.706 0.960) 3.843 13.467 ( -0.558 4.188 -1.712) 4.559 14.590 ( 0.095 -2.463 0.752) 2.577 14.606 ( -0.308 -1.731 -0.877) 1.965 14.860 ( 0.273 -0.883 1.459) 1.728 14.887 ( -0.334 -1.496 -1.271) 1.991======================= Grid point 87 (36/42) =======================q-point: ( 0.40 0.31 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.249 ( 1.607 4.230 0.949) 4.624 1.266 ( -0.092 3.616 -0.766) 3.697 1.457 ( 0.599 10.021 1.215) 10.112 1.482 ( -2.240 10.289 -1.274) 10.607 1.592 ( 2.212 4.051 0.442) 4.637 1.612 ( 4.794 2.330 -1.331) 5.494 1.675 ( -5.097 4.544 3.274) 7.573 1.728 ( -5.880 2.339 -2.258) 6.719 1.951 ( 0.023 15.863 0.415) 15.868 1.957 ( -0.605 16.055 -0.113) 16.067 2.140 ( 4.300 5.120 0.630) 6.716 2.166 ( 3.249 5.012 -1.720) 6.216 2.209 ( 5.727 7.703 3.666) 10.275 2.314 ( 8.554 3.733 -6.718) 11.500 2.380 ( -5.299 5.036 4.941) 8.824 2.491 ( -5.963 3.213 -6.137) 9.140 2.630 ( 9.891 0.992 3.539) 10.552 2.696 ( 10.572 -1.795 -3.157) 11.178 2.766 ( 4.118 0.344 6.918) 8.058 2.839 ( 1.115 3.781 1.740) 4.309 2.879 ( 0.357 11.919 -0.303) 11.929 2.908 ( 4.252 6.493 -3.398) 8.472 2.956 ( -6.352 3.992 5.375) 9.229 3.003 ( 0.358 7.168 -1.267) 7.288 3.010 ( 1.092 11.615 -1.341) 11.743 3.082 ( -6.897 1.640 -5.228) 8.808 3.185 ( 2.523 14.027 4.221) 14.864 3.251 ( 0.069 11.627 -2.231) 11.839 3.315 ( -3.330 13.992 2.817) 14.656 3.360 ( -7.781 14.316 -1.192) 16.337 3.447 ( -1.040 3.341 0.171) 3.503 3.473 ( -3.617 4.767 -2.427) 6.457 3.631 ( 1.384 3.732 3.315) 5.180 3.665 ( -2.422 2.694 4.301) 5.623 3.721 ( 1.599 5.560 -5.751) 8.157 3.768 ( -3.005 6.650 -6.293) 9.636 3.822 ( -0.342 3.269 0.668) 3.354 3.829 ( -1.009 3.087 1.074) 3.421 3.862 ( 0.889 8.907 -0.092) 8.951 3.898 ( -1.777 9.209 -2.054) 9.601 4.008 ( 1.482 3.276 2.649) 4.466 4.027 ( 0.543 1.200 0.238) 1.339 4.048 ( -1.032 6.626 2.509) 7.160 4.077 ( -2.608 2.814 -0.522) 3.872 4.167 ( 0.335 4.022 1.733) 4.392 4.200 ( -2.442 2.587 0.910) 3.672 4.228 ( 0.947 4.606 -1.601) 4.967 4.268 ( -2.060 2.888 -2.464) 4.319 4.304 ( 0.576 2.854 1.776) 3.410 4.320 ( -0.571 3.824 1.034) 4.002 4.402 ( -0.077 2.541 0.491) 2.589 4.416 ( -1.322 3.213 -1.319) 3.717 4.426 ( 0.902 1.807 0.393) 2.058 4.437 ( -0.260 0.822 -0.905) 1.250 4.457 ( 0.333 4.289 -0.285) 4.311 4.472 ( -0.790 4.202 -1.141) 4.425 4.639 ( 1.617 -2.826 3.602) 4.855 4.658 ( 0.073 2.112 2.750) 3.469 4.672 ( -0.306 1.995 4.106) 4.575 4.693 ( -1.765 5.417 1.784) 5.970 4.744 ( 2.711 -1.696 -4.103) 5.202 4.772 ( -0.337 0.420 -3.642) 3.682 4.865 ( -0.172 5.183 -1.191) 5.321 4.887 ( -2.031 3.294 -3.022) 4.910 5.027 ( 0.503 0.195 1.457) 1.553 5.048 ( -0.862 0.918 -0.856) 1.523 5.197 ( 0.611 -1.284 1.195) 1.858 5.205 ( -0.333 -1.370 0.507) 1.499 5.292 ( 0.828 -4.068 -0.560) 4.189 5.304 ( 0.285 -4.276 -1.937) 4.703 5.327 ( -0.971 -3.636 1.018) 3.899 5.356 ( -2.489 -4.462 -1.370) 5.290 5.566 ( 2.431 -2.034 3.475) 4.704 5.589 ( -0.166 -3.062 1.577) 3.448 5.618 ( 2.105 -4.364 0.549) 4.876 5.640 ( 0.719 -1.674 0.511) 1.893 5.666 ( 0.799 -2.759 -0.112) 2.874 5.702 ( -0.770 -3.224 -2.406) 4.096 5.765 ( 4.256 -1.830 0.454) 4.656 5.776 ( 4.371 -2.967 -0.512) 5.308 5.871 ( -2.556 -4.429 0.723) 5.165 5.902 ( -3.141 -6.262 -2.478) 7.431 6.214 ( 1.499 -14.701 0.555) 14.788 6.221 ( 0.850 -14.188 -0.104) 14.213 6.428 ( 0.343 6.340 0.268) 6.355 6.435 ( -0.271 6.352 -0.417) 6.371 7.705 ( 0.541 -18.150 0.622) 18.169 7.709 ( 0.207 -18.370 0.332) 18.374 7.895 ( 0.355 -8.736 0.064) 8.743 7.903 ( -0.300 -8.210 -0.680) 8.244 7.918 ( -0.061 -1.851 0.097) 1.854 7.921 ( -0.368 -3.639 -0.239) 3.666 10.619 ( 0.070 2.448 0.402) 2.481 10.627 ( -0.698 2.798 -0.413) 2.913 11.024 ( 0.254 -14.246 0.081) 14.248 11.026 ( 0.071 -14.360 -0.116) 14.360 11.548 ( 0.308 19.366 0.805) 19.385 11.565 ( -1.307 19.065 -0.887) 19.130 12.457 ( -0.028 7.828 0.003) 7.828 12.457 ( -0.063 7.623 -0.028) 7.623 13.302 ( 1.147 -5.216 2.035) 5.715 13.330 ( -1.572 -4.797 -0.627) 5.087 13.444 ( 0.410 3.843 -0.219) 3.871 13.454 ( -0.624 4.091 -1.072) 4.275 14.593 ( 0.229 -2.269 0.318) 2.303 14.599 ( -0.352 -1.983 -0.277) 2.033 14.868 ( 0.475 -1.059 0.519) 1.271 14.879 ( -0.510 -1.295 -0.521) 1.486======================= Grid point 90 (37/42) =======================q-point: ( 0.00 0.38 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.357 ( 0.000 7.607 0.560) 7.628 1.372 ( 0.000 5.330 -1.044) 5.431 1.436 ( 0.000 0.353 1.603) 1.641 1.459 ( 0.000 -0.745 -0.790) 1.086 1.683 ( 0.000 -2.757 1.467) 3.123 1.708 ( 0.000 -3.540 -1.192) 3.736 1.795 ( 0.000 6.406 0.006) 6.406 1.804 ( 0.000 4.724 -1.156) 4.864 1.940 ( 0.000 1.664 5.006) 5.275 2.047 ( 0.000 -1.904 -6.302) 6.583 2.208 ( 0.000 0.924 3.085) 3.221 2.262 ( 0.000 2.473 -1.254) 2.773 2.290 ( 0.000 15.439 0.862) 15.463 2.307 ( 0.000 16.152 -1.005) 16.184 2.382 ( 0.000 4.800 0.276) 4.808 2.388 ( 0.000 4.343 3.820) 5.783 2.463 ( 0.000 3.582 -2.775) 4.531 2.583 ( 0.000 0.778 -8.758) 8.793 2.678 ( 0.000 0.760 5.915) 5.963 2.821 ( 0.000 -1.493 -8.318) 8.451 2.929 ( 0.000 2.307 15.733) 15.901 3.069 ( 0.000 3.380 1.751) 3.807 3.111 ( 0.000 2.344 1.749) 2.924 3.209 ( 0.000 -0.187 -7.635) 7.638 3.270 ( 0.000 5.991 -0.404) 6.004 3.270 ( 0.000 7.654 0.132) 7.655 3.435 ( 0.000 7.777 2.923) 8.309 3.436 ( 0.000 2.655 -5.060) 5.714 3.446 ( 0.000 0.349 1.319) 1.364 3.533 ( 0.000 4.085 -3.999) 5.717 3.631 ( 0.000 4.113 -0.642) 4.163 3.663 ( 0.000 1.238 -2.691) 2.963 3.687 ( 0.000 6.608 0.693) 6.644 3.697 ( 0.000 7.651 0.916) 7.706 3.841 ( 0.000 2.266 6.489) 6.874 3.887 ( 0.000 1.612 2.578) 3.041 3.899 ( 0.000 2.209 0.306) 2.230 3.914 ( 0.000 3.508 1.416) 3.783 3.949 ( 0.000 1.720 -4.728) 5.031 3.982 ( 0.000 2.925 -4.141) 5.070 4.107 ( 0.000 1.425 6.312) 6.471 4.134 ( 0.000 1.119 2.063) 2.347 4.141 ( 0.000 4.471 3.328) 5.573 4.237 ( 0.000 2.614 -5.071) 5.705 4.248 ( 0.000 2.316 -1.237) 2.626 4.280 ( 0.000 3.420 -4.293) 5.489 4.306 ( 0.000 1.810 2.202) 2.851 4.346 ( 0.000 0.521 -1.829) 1.902 4.382 ( 0.000 0.972 0.909) 1.331 4.396 ( 0.000 0.255 0.265) 0.368 4.397 ( 0.000 0.329 -0.802) 0.867 4.401 ( 0.000 2.946 -0.559) 2.999 4.480 ( 0.000 -0.139 2.452) 2.456 4.523 ( 0.000 -0.035 -2.237) 2.237 4.566 ( 0.000 -1.336 0.204) 1.352 4.567 ( 0.000 -0.907 0.163) 0.921 4.602 ( 0.000 1.706 1.366) 2.186 4.610 ( 0.000 7.371 0.823) 7.417 4.734 ( 0.000 8.614 2.287) 8.913 4.773 ( 0.000 2.827 -1.701) 3.299 4.865 ( 0.000 6.001 0.972) 6.080 4.910 ( 0.000 2.702 -3.650) 4.542 5.019 ( 0.000 3.428 0.951) 3.557 5.041 ( 0.000 3.812 -1.609) 4.138 5.072 ( 0.000 2.940 1.309) 3.218 5.091 ( 0.000 2.858 -0.271) 2.871 5.140 ( 0.000 2.625 2.925) 3.930 5.195 ( 0.000 1.088 -0.499) 1.197 5.207 ( 0.000 -3.595 0.691) 3.661 5.260 ( 0.000 -2.132 -3.068) 3.736 5.329 ( 0.000 -0.464 0.320) 0.564 5.330 ( 0.000 -1.934 0.652) 2.041 5.396 ( 0.000 -2.019 0.981) 2.245 5.421 ( 0.000 -1.902 -1.487) 2.415 5.503 ( 0.000 -1.931 -0.880) 2.122 5.514 ( 0.000 -1.234 -2.002) 2.352 5.580 ( 0.000 -2.479 1.989) 3.178 5.606 ( 0.000 -3.117 -0.563) 3.168 5.649 ( 0.000 -0.851 3.799) 3.893 5.705 ( 0.000 -3.659 -1.803) 4.079 5.892 ( 0.000 -2.937 0.699) 3.019 5.906 ( 0.000 -3.416 -0.161) 3.419 5.916 ( 0.000 -7.400 2.060) 7.681 5.970 ( 0.000 -8.029 -2.935) 8.549 6.569 ( 0.000 9.608 1.172) 9.679 6.588 ( 0.000 9.663 -0.737) 9.691 7.357 ( 0.000 -15.962 0.203) 15.964 7.361 ( 0.000 -16.129 -0.264) 16.131 7.779 ( 0.000 -3.719 0.133) 3.721 7.782 ( 0.000 -3.031 -0.191) 3.037 7.882 ( 0.000 -2.512 0.008) 2.512 7.883 ( 0.000 -2.481 -0.021) 2.481 10.616 ( 0.000 -1.771 1.775) 2.508 10.652 ( 0.000 -1.833 -1.808) 2.575 10.762 ( 0.000 -10.970 0.283) 10.974 10.768 ( 0.000 -10.678 -0.249) 10.681 11.861 ( 0.000 13.691 1.552) 13.778 11.894 ( 0.000 12.600 -1.785) 12.726 12.481 ( 0.000 -4.789 0.306) 4.799 12.487 ( 0.000 -5.494 -0.298) 5.502 13.310 ( 0.000 8.384 3.989) 9.285 13.388 ( 0.000 5.708 -3.961) 6.947 13.548 ( 0.000 6.406 2.198) 6.772 13.591 ( 0.000 6.297 -2.153) 6.655 14.533 ( 0.000 -2.271 1.976) 3.010 14.573 ( 0.000 -1.419 -1.978) 2.434 14.802 ( 0.000 -4.701 0.745) 4.759 14.815 ( 0.000 -6.034 -0.582) 6.062======================= Grid point 91 (38/42) =======================q-point: ( 0.20 0.38 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.332 ( -0.755 5.253 0.965) 5.394 1.352 ( -1.136 3.907 -1.034) 4.199 1.518 ( 4.158 0.850 0.311) 4.256 1.521 ( 4.649 1.537 0.077) 4.897 1.703 ( -1.706 3.361 0.541) 3.808 1.725 ( -1.350 5.435 -1.626) 5.831 1.796 ( 2.938 1.027 0.792) 3.212 1.815 ( 0.615 0.134 -1.037) 1.213 1.917 ( 2.463 0.878 7.000) 7.472 2.060 ( 4.306 -1.485 -8.078) 9.274 2.271 ( 3.110 5.353 2.777) 6.785 2.296 ( 0.409 15.760 0.248) 15.767 2.310 ( 1.671 12.145 0.164) 12.260 2.333 ( 3.731 3.016 -2.577) 5.446 2.400 ( 2.729 3.724 1.475) 4.847 2.430 ( 4.183 1.700 1.589) 4.787 2.503 ( 3.611 2.459 -1.200) 4.531 2.616 ( 1.532 1.265 -8.260) 8.495 2.672 ( 0.018 0.155 7.063) 7.065 2.822 ( 0.627 -2.392 -6.910) 7.339 2.922 ( -1.428 -0.488 13.291) 13.377 3.059 ( -0.567 2.745 3.586) 4.551 3.101 ( -1.860 1.307 -2.490) 3.372 3.148 ( -4.229 1.703 -6.598) 8.020 3.262 ( 0.179 7.529 1.612) 7.702 3.289 ( -0.400 7.519 -1.750) 7.731 3.395 ( -1.280 7.926 3.215) 8.648 3.432 ( -0.343 3.427 1.698) 3.840 3.468 ( 0.920 4.682 -4.538) 6.585 3.493 ( -2.337 1.406 -2.463) 3.675 3.613 ( -1.655 5.895 -0.504) 6.143 3.647 ( -1.068 4.012 -3.220) 5.254 3.697 ( 0.822 5.907 4.093) 7.233 3.762 ( 3.829 6.038 -2.994) 7.752 3.807 ( -3.311 2.896 7.225) 8.459 3.879 ( -0.236 2.335 1.110) 2.596 3.884 ( -0.662 3.521 -0.282) 3.594 3.917 ( 0.026 1.573 1.901) 2.468 3.931 ( -1.632 2.611 -5.187) 6.032 3.979 ( -0.132 1.909 -3.290) 3.806 4.101 ( -1.319 2.872 3.137) 4.453 4.113 ( -0.403 0.080 3.964) 3.985 4.137 ( -1.629 2.186 1.120) 2.948 4.207 ( -2.830 3.796 -3.359) 5.805 4.239 ( -1.529 2.418 -0.426) 2.892 4.271 ( -1.217 3.560 -2.857) 4.725 4.306 ( 0.542 2.467 3.473) 4.295 4.361 ( -0.241 -0.530 0.352) 0.681 4.375 ( -0.507 4.371 -2.287) 4.959 4.384 ( -1.109 -0.399 -1.476) 1.889 4.390 ( 0.764 -0.115 0.911) 1.194 4.412 ( 0.977 0.377 -0.917) 1.392 4.462 ( -1.075 -0.143 2.222) 2.473 4.501 ( -1.887 -0.203 -1.909) 2.692 4.524 ( -2.286 3.715 2.137) 4.857 4.552 ( -1.009 1.200 -0.461) 1.634 4.603 ( 0.056 0.121 1.758) 1.763 4.642 ( 1.929 0.960 -2.088) 3.000 4.719 ( -1.713 6.891 1.979) 7.372 4.766 ( -0.843 1.988 -2.594) 3.375 4.840 ( -1.663 6.856 1.503) 7.213 4.878 ( -3.084 5.049 -2.304) 6.350 4.967 ( -1.463 1.830 0.944) 2.526 4.984 ( -2.038 1.920 -1.144) 3.025 5.068 ( -0.917 3.128 3.216) 4.579 5.101 ( 0.743 2.631 -0.453) 2.772 5.161 ( 1.131 -0.373 1.642) 2.029 5.216 ( -0.512 0.326 -2.731) 2.798 5.229 ( 0.507 -0.519 1.639) 1.792 5.276 ( -1.219 -0.421 -2.212) 2.560 5.313 ( -0.692 -1.558 1.555) 2.307 5.345 ( -1.693 -1.476 -1.395) 2.645 5.437 ( 6.543 -1.714 0.849) 6.817 5.455 ( 6.184 -1.885 -1.288) 6.591 5.539 ( 1.993 -0.698 0.177) 2.119 5.556 ( 2.733 -0.915 -1.408) 3.208 5.586 ( 1.287 -2.157 1.577) 2.966 5.611 ( 0.859 -1.882 -0.884) 2.250 5.671 ( 1.951 -1.612 2.832) 3.798 5.714 ( 0.347 -2.561 -1.219) 2.858 5.866 ( -2.014 -3.549 0.536) 4.116 5.883 ( -2.235 -1.766 -1.007) 3.021 5.932 ( 1.150 -9.923 2.228) 10.235 5.975 ( 0.257 -9.029 -2.160) 9.287 6.572 ( 0.252 9.640 0.946) 9.689 6.588 ( -0.028 9.623 -0.685) 9.648 7.360 ( 0.313 -16.024 0.245) 16.029 7.365 ( 0.287 -16.238 -0.217) 16.242 7.778 ( -0.035 -3.592 0.074) 3.593 7.781 ( -0.119 -3.025 -0.149) 3.031 7.883 ( 0.036 -2.518 0.023) 2.519 7.883 ( 0.040 -2.497 -0.015) 2.497 10.617 ( 0.153 -1.651 1.445) 2.200 10.646 ( -0.505 -1.713 -1.427) 2.286 10.764 ( 0.187 -11.005 0.217) 11.009 10.769 ( 0.115 -10.763 -0.256) 10.767 11.861 ( 0.010 13.768 1.263) 13.826 11.888 ( -0.600 12.900 -1.418) 12.992 12.482 ( 0.043 -4.878 0.248) 4.885 12.486 ( -0.066 -5.450 -0.242) 5.456 13.315 ( 0.542 8.240 3.303) 8.894 13.378 ( -0.934 6.113 -2.982) 6.865 13.551 ( 0.317 6.401 1.542) 6.591 13.586 ( -0.519 6.357 -1.826) 6.634 14.536 ( 0.262 -2.160 1.614) 2.709 14.568 ( -0.462 -1.457 -1.559) 2.184 14.802 ( 0.071 -4.867 0.574) 4.902 14.813 ( -0.169 -5.942 -0.495) 5.965======================= Grid point 92 (39/42) =======================q-point: ( 0.40 0.38 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.330 ( 0.275 4.335 0.440) 4.366 1.337 ( -0.450 3.934 -0.319) 3.972 1.580 ( 1.842 -0.702 0.035) 1.972 1.586 ( 1.536 -0.807 -0.399) 1.780 1.667 ( -0.869 6.442 0.784) 6.547 1.677 ( -1.683 6.719 -0.061) 6.926 1.769 ( -2.042 4.202 0.574) 4.707 1.778 ( -2.546 2.812 -0.311) 3.806 2.148 ( 12.802 1.152 2.903) 13.177 2.217 ( 7.065 4.793 -3.983) 9.421 2.276 ( -1.605 11.826 0.656) 11.953 2.294 ( -1.001 13.430 -0.653) 13.483 2.362 ( 1.771 7.479 -0.238) 7.690 2.375 ( 2.677 4.301 -2.260) 5.547 2.469 ( 0.734 2.919 1.360) 3.302 2.532 ( -4.524 -0.573 -4.877) 6.677 2.565 ( 9.319 -2.334 3.925) 10.378 2.634 ( 5.118 -1.673 -3.274) 6.302 2.706 ( 1.362 -3.488 8.331) 9.134 2.806 ( -9.729 -4.409 5.031) 11.807 2.862 ( 2.799 -5.093 -3.071) 6.572 2.970 ( -7.453 -6.410 -6.846) 11.979 3.094 ( 2.482 6.061 1.860) 6.809 3.124 ( 0.339 6.288 -0.814) 6.349 3.247 ( -1.459 11.600 1.069) 11.740 3.263 ( -1.208 11.761 -0.705) 11.844 3.405 ( 1.268 6.826 2.261) 7.301 3.435 ( -0.965 6.645 -0.585) 6.741 3.459 ( 1.768 0.443 2.550) 3.134 3.499 ( -0.223 1.121 -1.331) 1.754 3.581 ( 0.805 9.696 -0.049) 9.730 3.635 ( -0.367 8.076 -4.489) 9.247 3.694 ( -1.575 5.637 4.395) 7.319 3.713 ( -3.878 5.057 3.054) 7.067 3.815 ( 1.164 3.267 -3.220) 4.732 3.862 ( -3.479 1.378 -5.680) 6.802 3.889 ( 1.264 5.654 0.709) 5.837 3.902 ( 0.843 6.108 -0.155) 6.168 3.939 ( 1.929 0.693 1.489) 2.533 3.975 ( -0.791 0.520 -1.871) 2.097 4.072 ( -0.942 -1.741 2.286) 3.024 4.088 ( -1.365 1.123 1.323) 2.208 4.099 ( -1.561 2.698 0.867) 3.236 4.123 ( -3.797 5.393 -0.994) 6.670 4.216 ( 0.270 0.989 -0.336) 1.079 4.240 ( -1.650 1.269 -2.726) 3.430 4.333 ( 0.411 4.160 2.173) 4.711 4.345 ( 0.472 2.905 1.145) 3.158 4.356 ( -0.334 2.278 1.849) 2.953 4.379 ( -0.356 -2.228 0.204) 2.265 4.413 ( 1.114 0.385 0.001) 1.179 4.424 ( -0.089 1.503 -0.001) 1.505 4.444 ( -0.958 1.184 0.026) 1.523 4.455 ( -1.338 0.358 -0.927) 1.667 4.519 ( 0.809 0.990 -0.365) 1.329 4.538 ( -0.626 1.477 -1.695) 2.334 4.607 ( 1.043 0.435 4.127) 4.279 4.650 ( -2.304 3.097 2.791) 4.763 4.702 ( 1.602 -1.180 -3.588) 4.102 4.741 ( -1.663 -0.757 -4.286) 4.659 4.817 ( -0.485 6.502 1.236) 6.636 4.825 ( -1.331 6.474 0.612) 6.638 4.965 ( 0.274 3.379 -0.024) 3.390 4.967 ( -0.053 3.003 -0.064) 3.004 5.068 ( 0.712 3.340 0.793) 3.506 5.094 ( -1.455 3.017 -1.802) 3.804 5.172 ( 0.978 -1.085 2.198) 2.639 5.201 ( -1.365 0.441 0.233) 1.453 5.236 ( 0.694 -1.335 -0.079) 1.507 5.252 ( -0.101 -1.448 -1.170) 1.865 5.287 ( -1.246 -0.534 0.285) 1.385 5.303 ( -2.062 -0.697 -0.997) 2.394 5.549 ( 2.996 0.173 1.939) 3.573 5.559 ( 0.778 -0.447 -0.106) 0.903 5.571 ( 2.626 -1.037 1.185) 3.062 5.612 ( 0.195 -0.943 1.156) 1.504 5.639 ( 3.533 -1.497 -2.837) 4.772 5.651 ( 2.830 -1.289 -0.346) 3.129 5.716 ( 1.312 -2.364 0.845) 2.833 5.727 ( 3.757 -2.223 -0.681) 4.418 5.806 ( -4.042 -3.599 -0.125) 5.413 5.820 ( -3.972 -1.714 -1.074) 4.458 5.956 ( 1.150 -11.478 1.316) 11.610 5.974 ( -0.463 -10.851 -0.498) 10.873 6.579 ( 0.382 9.669 0.270) 9.680 6.585 ( -0.243 9.619 -0.404) 9.631 7.367 ( 0.293 -16.221 0.215) 16.225 7.369 ( 0.085 -16.349 -0.014) 16.349 7.778 ( -0.016 -3.299 -0.023) 3.299 7.778 ( -0.083 -3.093 -0.085) 3.095 7.884 ( 0.035 -2.528 0.032) 2.529 7.884 ( 0.011 -2.518 0.011) 2.519 10.623 ( 0.412 -1.472 0.582) 1.636 10.634 ( -0.620 -1.501 -0.502) 1.700 10.768 ( 0.180 -11.029 0.033) 11.030 10.770 ( -0.004 -10.934 -0.171) 10.936 11.864 ( 0.298 13.799 0.491) 13.811 11.874 ( -0.661 13.476 -0.522) 13.502 12.483 ( 0.082 -5.090 0.094) 5.092 12.485 ( -0.096 -5.310 -0.093) 5.312 13.331 ( 1.020 7.768 1.502) 7.977 13.355 ( -1.243 6.973 -0.826) 7.131 13.560 ( 0.535 6.436 0.259) 6.463 13.573 ( -0.677 6.441 -0.951) 6.546 14.544 ( 0.509 -1.891 0.668) 2.069 14.556 ( -0.630 -1.615 -0.530) 1.813 14.805 ( 0.165 -5.261 0.179) 5.267 14.809 ( -0.224 -5.670 -0.226) 5.678======================= Grid point 95 (40/42) =======================q-point: ( 0.00 0.46 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.431 ( 0.000 0.819 0.362) 0.896 1.439 ( 0.000 0.240 -0.525) 0.578 1.447 ( 0.000 0.893 0.098) 0.898 1.448 ( 0.000 0.607 -0.033) 0.608 1.653 ( 0.000 -0.088 0.473) 0.481 1.662 ( 0.000 -1.104 -0.447) 1.191 1.881 ( 0.000 3.909 0.211) 3.915 1.886 ( 0.000 3.429 -0.234) 3.437 1.938 ( 0.000 -1.628 1.278) 2.069 1.970 ( 0.000 -4.891 -2.100) 5.322 2.231 ( 0.000 1.652 1.993) 2.588 2.263 ( 0.000 -1.326 -0.353) 1.372 2.462 ( 0.000 2.577 1.331) 2.901 2.464 ( 0.000 2.444 0.483) 2.491 2.510 ( 0.000 4.399 -1.440) 4.629 2.574 ( 0.000 -1.825 -7.095) 7.326 2.579 ( 0.000 12.978 5.962) 14.282 2.663 ( 0.000 14.749 -2.227) 14.916 2.726 ( 0.000 5.495 0.897) 5.568 2.772 ( 0.000 -4.115 0.183) 4.119 2.883 ( 0.000 -3.812 4.546) 5.933 2.990 ( 0.000 -9.877 1.551) 9.998 3.043 ( 0.000 -5.157 2.427) 5.700 3.091 ( 0.000 -9.359 -6.208) 11.230 3.368 ( 0.000 3.320 -1.685) 3.723 3.378 ( 0.000 2.551 -2.317) 3.446 3.419 ( 0.000 1.272 -1.255) 1.786 3.438 ( 0.000 -0.095 -2.632) 2.634 3.642 ( 0.000 10.670 4.932) 11.755 3.697 ( 0.000 5.415 -0.681) 5.457 3.713 ( 0.000 2.731 0.150) 2.735 3.728 ( 0.000 3.650 -1.401) 3.910 3.780 ( 0.000 2.646 0.635) 2.721 3.791 ( 0.000 2.152 -0.181) 2.160 3.861 ( 0.000 0.600 5.488) 5.520 3.876 ( 0.000 -1.947 4.678) 5.067 3.938 ( 0.000 -0.886 -2.157) 2.332 3.943 ( 0.000 0.023 -1.043) 1.044 4.002 ( 0.000 2.090 2.645) 3.371 4.024 ( 0.000 2.152 -1.885) 2.861 4.088 ( 0.000 -0.273 -2.194) 2.211 4.101 ( 0.000 -3.735 -1.392) 3.986 4.227 ( 0.000 2.842 1.759) 3.342 4.243 ( 0.000 -0.012 -1.610) 1.611 4.275 ( 0.000 1.330 0.975) 1.649 4.304 ( 0.000 0.300 -0.490) 0.575 4.318 ( 0.000 -0.407 -0.010) 0.407 4.331 ( 0.000 -2.465 -1.397) 2.833 4.378 ( 0.000 0.342 1.115) 1.166 4.406 ( 0.000 -1.019 -1.611) 1.907 4.426 ( 0.000 1.992 2.169) 2.944 4.447 ( 0.000 -0.239 1.125) 1.150 4.486 ( 0.000 2.426 -1.054) 2.645 4.513 ( 0.000 -0.470 -2.749) 2.789 4.531 ( 0.000 -1.280 0.009) 1.280 4.541 ( 0.000 -1.716 -0.844) 1.912 4.679 ( 0.000 5.684 3.074) 6.462 4.730 ( 0.000 3.732 -2.310) 4.389 4.819 ( 0.000 0.966 2.696) 2.864 4.865 ( 0.000 0.153 -2.030) 2.036 4.927 ( 0.000 2.684 0.624) 2.756 4.938 ( 0.000 1.189 -0.538) 1.305 5.071 ( 0.000 2.122 1.032) 2.359 5.096 ( 0.000 0.494 -1.732) 1.801 5.111 ( 0.000 1.697 0.313) 1.726 5.112 ( 0.000 1.787 0.099) 1.789 5.174 ( 0.000 -0.488 2.394) 2.443 5.193 ( 0.000 2.120 0.064) 2.121 5.206 ( 0.000 0.303 -0.780) 0.837 5.214 ( 0.000 -3.733 -0.776) 3.812 5.314 ( 0.000 0.641 0.488) 0.805 5.339 ( 0.000 -0.840 -1.895) 2.073 5.392 ( 0.000 1.499 0.804) 1.701 5.402 ( 0.000 0.266 -0.808) 0.850 5.476 ( 0.000 -1.360 0.161) 1.369 5.479 ( 0.000 -2.031 -0.678) 2.141 5.544 ( 0.000 -0.723 1.247) 1.442 5.554 ( 0.000 -1.643 0.462) 1.706 5.636 ( 0.000 -0.815 0.317) 0.875 5.647 ( 0.000 -2.194 -0.777) 2.328 5.819 ( 0.000 -0.622 3.032) 3.095 5.842 ( 0.000 -2.188 1.921) 2.912 5.878 ( 0.000 -1.606 -2.935) 3.346 5.881 ( 0.000 -1.181 -1.887) 2.226 6.793 ( 0.000 13.347 0.929) 13.379 6.809 ( 0.000 12.985 -0.696) 13.004 7.066 ( 0.000 -14.690 0.329) 14.693 7.072 ( 0.000 -14.006 -0.200) 14.007 7.762 ( 0.000 1.450 0.264) 1.473 7.770 ( 0.000 1.292 -0.500) 1.385 7.820 ( 0.000 -3.447 0.200) 3.452 7.823 ( 0.000 -3.240 -0.120) 3.243 10.584 ( 0.000 -0.780 1.389) 1.593 10.610 ( 0.000 -2.391 -0.716) 2.496 10.615 ( 0.000 -3.376 0.055) 3.377 10.628 ( 0.000 -3.709 -0.737) 3.781 12.099 ( 0.000 11.388 0.822) 11.417 12.117 ( 0.000 10.829 -0.982) 10.874 12.316 ( 0.000 -10.599 0.525) 10.612 12.324 ( 0.000 -10.047 -0.328) 10.053 13.510 ( 0.000 9.972 0.885) 10.012 13.530 ( 0.000 7.020 -1.158) 7.115 13.617 ( 0.000 -0.091 1.511) 1.514 13.645 ( 0.000 -1.875 -1.288) 2.275 14.541 ( 0.000 3.512 1.784) 3.940 14.581 ( 0.000 2.141 -2.369) 3.193 14.680 ( 0.000 -6.811 1.075) 6.896 14.693 ( 0.000 -5.799 -0.454) 5.817======================= Grid point 96 (41/42) =======================q-point: ( 0.20 0.46 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.421 ( -0.198 4.310 -0.006) 4.315 1.421 ( -0.164 3.454 -0.025) 3.458 1.485 ( 1.999 -2.960 0.878) 3.678 1.503 ( 2.038 -3.713 -0.880) 4.326 1.757 ( 6.311 2.249 1.042) 6.780 1.778 ( 8.682 0.544 -1.064) 8.764 1.847 ( -2.690 3.329 0.196) 4.285 1.854 ( -1.587 3.572 -0.554) 3.948 1.915 ( 1.012 -0.784 2.857) 3.131 1.978 ( 4.116 -5.752 -3.805) 8.032 2.293 ( 5.036 0.928 1.769) 5.417 2.323 ( 4.909 -1.968 -0.468) 5.310 2.474 ( 0.890 3.467 2.113) 4.157 2.498 ( 0.779 1.876 1.513) 2.533 2.515 ( 1.975 5.503 -0.266) 5.853 2.570 ( -1.046 6.566 0.513) 6.669 2.624 ( 3.610 1.597 -3.442) 5.238 2.648 ( -0.933 11.083 -2.793) 11.468 2.724 ( -0.490 6.683 1.616) 6.893 2.781 ( 0.974 -0.137 -0.067) 0.985 2.859 ( -3.042 -2.568 3.147) 5.074 2.985 ( -4.341 -10.193 -4.688) 12.030 2.991 ( -1.427 -6.282 5.983) 8.793 3.069 ( -1.114 -9.863 -3.416) 10.497 3.372 ( 1.038 3.711 -1.083) 4.003 3.385 ( 0.477 2.246 -2.002) 3.046 3.442 ( 2.351 2.032 -0.376) 3.130 3.458 ( 2.454 0.393 -1.817) 3.079 3.614 ( -2.602 10.496 4.003) 11.531 3.661 ( -2.997 6.332 -0.796) 7.051 3.698 ( -1.458 1.643 0.644) 2.289 3.719 ( -0.860 2.057 -1.136) 2.503 3.807 ( 1.839 4.573 2.407) 5.485 3.838 ( 2.618 1.564 -0.346) 3.069 3.846 ( -0.473 1.460 4.034) 4.316 3.878 ( 0.473 -1.593 3.782) 4.131 3.917 ( -1.404 -0.421 -2.544) 2.936 3.945 ( 0.018 -0.898 -2.595) 2.746 3.987 ( -1.129 2.096 1.712) 2.933 4.024 ( -0.173 3.433 -1.412) 3.716 4.060 ( -2.510 -2.740 -0.176) 3.721 4.091 ( -1.820 -3.479 -2.023) 4.416 4.173 ( -1.751 2.679 2.009) 3.779 4.230 ( -1.444 -1.876 -3.642) 4.344 4.276 ( -2.160 2.119 1.017) 3.193 4.297 ( -1.033 0.294 -0.403) 1.147 4.320 ( -1.588 -1.348 1.030) 2.324 4.337 ( -1.481 -1.551 0.005) 2.145 4.377 ( 0.922 1.187 0.663) 1.643 4.395 ( 2.435 -0.416 -0.176) 2.477 4.430 ( 0.878 1.455 0.903) 1.925 4.440 ( -0.553 0.885 0.932) 1.400 4.477 ( -1.101 2.245 -0.896) 2.656 4.498 ( -1.064 0.354 -2.460) 2.704 4.537 ( -0.230 -0.938 -0.160) 0.979 4.549 ( 0.854 -1.840 -1.160) 2.336 4.661 ( -1.559 5.251 2.432) 5.993 4.703 ( -2.224 4.413 -2.010) 5.335 4.775 ( -3.476 -1.268 2.324) 4.370 4.812 ( -4.663 -0.642 -1.496) 4.939 4.938 ( -0.401 3.801 0.708) 3.887 4.951 ( -0.385 2.469 -0.698) 2.595 4.991 ( -2.753 0.826 0.829) 2.991 5.004 ( -3.239 -0.053 -0.671) 3.308 5.114 ( 0.643 0.756 1.930) 2.171 5.133 ( 0.834 2.417 0.642) 2.636 5.148 ( 0.169 -0.871 0.568) 1.053 5.190 ( -0.597 -0.937 -2.568) 2.798 5.267 ( -2.131 0.468 0.702) 2.292 5.281 ( 1.018 1.409 0.987) 1.999 5.292 ( 0.135 -0.539 -0.647) 0.853 5.317 ( 0.014 -2.034 -1.708) 2.656 5.436 ( 6.035 0.863 0.284) 6.103 5.445 ( 4.822 0.080 -0.659) 4.867 5.541 ( 2.214 0.660 0.277) 2.327 5.549 ( 4.646 0.149 -0.197) 4.653 5.559 ( 2.333 -0.482 0.889) 2.543 5.578 ( 3.273 -1.614 -0.597) 3.698 5.637 ( 0.707 -1.346 1.320) 2.014 5.661 ( 0.718 -3.185 -1.117) 3.450 5.804 ( -1.354 -0.888 2.906) 3.327 5.826 ( -1.530 -2.336 1.861) 3.356 5.857 ( -1.938 -0.964 -2.231) 3.108 5.866 ( -1.398 -2.289 -2.277) 3.518 6.796 ( 0.285 13.352 0.730) 13.375 6.810 ( 0.005 13.037 -0.601) 13.051 7.069 ( 0.247 -14.679 0.242) 14.683 7.073 ( 0.143 -14.106 -0.168) 14.108 7.763 ( 0.092 1.502 0.236) 1.523 7.769 ( -0.046 1.397 -0.377) 1.448 7.820 ( 0.008 -3.501 0.168) 3.505 7.823 ( -0.042 -3.326 -0.095) 3.328 10.586 ( 0.221 -0.779 1.135) 1.395 10.608 ( -0.257 -1.410 -1.033) 1.767 10.616 ( 0.147 -4.207 0.533) 4.244 10.628 ( -0.065 -3.841 -0.659) 3.897 12.100 ( 0.074 11.434 0.680) 11.454 12.114 ( -0.250 10.992 -0.776) 11.022 12.316 ( -0.006 -10.623 0.417) 10.631 12.323 ( -0.156 -10.171 -0.272) 10.176 13.512 ( 0.178 9.815 0.760) 9.846 13.528 ( -0.198 7.465 -0.861) 7.517 13.619 ( 0.141 -0.383 1.138) 1.209 13.641 ( -0.368 -1.775 -1.093) 2.117 14.545 ( 0.439 3.609 1.505) 3.935 14.578 ( -0.241 2.665 -1.897) 3.280 14.678 ( -0.137 -7.089 0.860) 7.142 14.690 ( -0.336 -6.120 -0.432) 6.145======================= Grid point 97 (42/42) =======================q-point: ( 0.40 0.46 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.420 ( 0.064 5.115 0.021) 5.115 1.421 ( 0.031 4.766 -0.025) 4.766 1.514 ( 0.871 -4.633 0.292) 4.723 1.522 ( 0.144 -5.011 -0.468) 5.034 1.780 ( -0.687 4.189 0.629) 4.291 1.788 ( -1.598 3.911 -0.202) 4.230 1.815 ( -0.965 0.500 0.162) 1.098 1.820 ( -1.525 0.747 -0.255) 1.717 2.169 ( 16.126 2.068 1.863) 16.364 2.220 ( 14.293 -2.180 -3.598) 14.899 2.385 ( 2.290 -0.495 2.568) 3.477 2.410 ( 1.530 -2.273 -0.067) 2.741 2.475 ( -0.750 4.157 1.043) 4.351 2.490 ( -1.335 2.659 1.045) 3.154 2.515 ( -4.047 3.966 -0.113) 5.668 2.531 ( -1.947 3.539 -2.241) 4.619 2.644 ( 0.931 3.250 0.187) 3.386 2.691 ( 2.294 2.833 -2.902) 4.659 2.697 ( -2.558 2.126 2.533) 4.180 2.765 ( -2.760 4.651 2.172) 5.829 2.801 ( -0.322 4.105 -2.259) 4.697 2.831 ( -6.794 -4.460 -4.340) 9.213 3.014 ( 2.098 -12.180 3.795) 12.929 3.053 ( -1.149 -12.138 0.248) 12.195 3.416 ( 3.274 5.617 0.338) 6.510 3.430 ( 3.759 4.966 -1.100) 6.325 3.501 ( 1.562 2.022 1.119) 2.789 3.508 ( 1.217 2.460 -0.218) 2.753 3.555 ( -1.829 9.310 1.475) 9.602 3.579 ( -4.526 5.890 -0.524) 7.446 3.676 ( 0.026 -1.136 0.280) 1.170 3.697 ( -1.265 -2.130 -1.217) 2.760 3.815 ( -0.003 5.997 2.591) 6.533 3.834 ( -0.818 6.286 1.558) 6.528 3.866 ( -0.069 1.443 -0.464) 1.517 3.878 ( -1.183 2.949 -2.761) 4.210 3.925 ( 1.574 -1.162 0.341) 1.986 3.944 ( -0.530 -2.502 -0.532) 2.612 3.975 ( 0.435 -3.630 0.082) 3.657 4.002 ( -1.696 -2.304 -1.823) 3.392 4.037 ( 1.026 2.872 0.908) 3.182 4.053 ( -0.575 1.420 -0.833) 1.743 4.131 ( -2.369 -0.421 2.795) 3.688 4.160 ( -4.815 -1.901 -0.120) 5.178 4.245 ( 0.043 2.654 -0.912) 2.807 4.263 ( -1.518 2.060 -2.319) 3.453 4.301 ( 0.504 -3.136 -0.571) 3.227 4.313 ( -0.613 -3.072 -1.401) 3.431 4.407 ( 0.779 3.015 2.398) 3.930 4.426 ( -0.366 1.911 0.426) 1.992 4.436 ( 0.047 0.740 1.512) 1.684 4.454 ( -1.064 -0.021 0.772) 1.315 4.462 ( 1.812 3.138 -0.213) 3.630 4.489 ( 1.371 1.733 -1.831) 2.870 4.542 ( -0.207 0.699 0.290) 0.784 4.545 ( -0.729 -0.426 0.361) 0.919 4.638 ( 0.299 2.844 1.206) 3.103 4.669 ( -0.525 0.611 -1.876) 2.042 4.704 ( -3.845 -1.308 -0.414) 4.082 4.709 ( -3.428 -2.643 -0.716) 4.388 4.918 ( -0.332 4.010 0.609) 4.069 4.925 ( -0.875 3.859 0.136) 3.960 4.976 ( -0.123 -1.803 0.445) 1.861 4.981 ( -0.359 -1.583 0.073) 1.625 5.135 ( 1.025 3.431 1.126) 3.754 5.151 ( 0.131 2.671 0.165) 2.679 5.175 ( 1.538 -0.178 -0.364) 1.590 5.188 ( 0.695 -0.101 -1.791) 1.924 5.239 ( -0.257 0.084 1.267) 1.295 5.257 ( -0.956 1.412 0.122) 1.710 5.280 ( -1.173 -0.576 0.298) 1.340 5.295 ( -1.730 -0.933 -0.690) 2.083 5.552 ( 3.927 0.184 0.561) 3.971 5.559 ( 2.840 -0.201 0.581) 2.906 5.570 ( 0.677 0.967 -0.714) 1.379 5.591 ( 2.275 -1.245 -1.637) 3.066 5.628 ( 2.528 0.787 1.475) 3.030 5.650 ( 2.609 0.421 0.998) 2.825 5.668 ( 0.178 -2.864 -0.628) 2.938 5.681 ( 2.086 -2.271 -0.806) 3.187 5.767 ( -1.694 -0.197 1.441) 2.233 5.794 ( -1.684 -1.933 -0.383) 2.592 5.807 ( -1.741 -2.446 0.207) 3.010 5.829 ( -2.081 -3.920 -1.196) 4.597 6.803 ( 0.334 13.303 0.234) 13.310 6.808 ( -0.153 13.169 -0.284) 13.173 7.074 ( 0.190 -14.581 0.068) 14.583 7.076 ( 0.048 -14.350 -0.078) 14.350 7.766 ( 0.123 1.592 0.123) 1.602 7.768 ( -0.095 1.567 -0.109) 1.573 7.821 ( 0.039 -3.566 0.082) 3.567 7.822 ( -0.059 -3.493 -0.021) 3.494 10.593 ( 0.384 -0.830 0.470) 1.028 10.601 ( -0.420 -1.010 -0.370) 1.155 10.620 ( 0.261 -4.274 0.174) 4.285 10.625 ( -0.197 -4.092 -0.326) 4.110 12.102 ( 0.207 11.462 0.280) 11.468 12.108 ( -0.316 11.300 -0.273) 11.308 12.316 ( 0.073 -10.604 0.160) 10.606 12.319 ( -0.173 -10.428 -0.102) 10.429 13.516 ( 0.292 9.307 0.387) 9.320 13.523 ( -0.301 8.433 -0.213) 8.441 13.624 ( 0.332 -0.982 0.298) 1.079 13.632 ( -0.477 -1.482 -0.534) 1.646 14.557 ( 0.674 3.767 0.660) 3.884 14.570 ( -0.556 3.528 -0.660) 3.632 14.677 ( 0.093 -7.340 0.277) 7.346 14.682 ( -0.380 -6.857 -0.243) 6.872=================== 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 3/21060 10.0 111.375 266.190 268.095 0.000 0.000 0.000 3/21060 20.0 33.404 112.809 72.203 0.000 0.000 0.000 3/21060 30.0 16.352 56.775 30.533 0.000 0.000 0.000 3/21060 40.0 9.796 33.399 16.825 0.000 0.000 0.000 3/21060 50.0 6.695 22.446 10.951 0.000 0.000 0.000 3/21060 60.0 5.007 16.587 7.935 0.000 0.000 0.000 3/21060 70.0 3.981 13.082 6.171 0.000 0.000 0.000 3/21060 80.0 3.302 10.793 5.036 0.000 0.000 0.000 3/21060 90.0 2.823 9.196 4.253 0.000 0.000 0.000 3/21060 100.0 2.468 8.022 3.683 0.000 0.000 0.000 3/21060 110.0 2.194 7.125 3.250 0.000 0.000 0.000 3/21060 120.0 1.976 6.416 2.910 0.000 0.000 0.000 3/21060 130.0 1.799 5.841 2.636 0.000 0.000 0.000 3/21060 140.0 1.651 5.366 2.411 0.000 0.000 0.000 3/21060 150.0 1.527 4.965 2.222 0.000 0.000 0.000 3/21060 160.0 1.421 4.623 2.061 0.000 0.000 0.000 3/21060 170.0 1.329 4.327 1.923 0.000 0.000 0.000 3/21060 180.0 1.248 4.068 1.803 0.000 0.000 0.000 3/21060 190.0 1.177 3.839 1.697 0.000 0.000 0.000 3/21060 200.0 1.113 3.636 1.603 0.000 0.000 0.000 3/21060 210.0 1.057 3.454 1.520 0.000 0.000 0.000 3/21060 220.0 1.006 3.289 1.445 0.000 0.000 0.000 3/21060 230.0 0.959 3.141 1.377 0.000 0.000 0.000 3/21060 240.0 0.917 3.005 1.315 0.000 0.000 0.000 3/21060 250.0 0.879 2.881 1.259 0.000 0.000 0.000 3/21060 260.0 0.843 2.767 1.207 0.000 0.000 0.000 3/21060 270.0 0.811 2.661 1.160 0.000 0.000 0.000 3/21060 280.0 0.781 2.564 1.116 0.000 0.000 0.000 3/21060 290.0 0.753 2.474 1.076 0.000 0.000 0.000 3/21060 300.0 0.727 2.390 1.038 0.000 0.000 0.000 3/21060 310.0 0.703 2.311 1.003 0.000 0.000 0.000 3/21060 320.0 0.680 2.238 0.970 0.000 0.000 0.000 3/21060 330.0 0.659 2.169 0.940 0.000 0.000 0.000 3/21060 340.0 0.639 2.104 0.911 0.000 0.000 0.000 3/21060 350.0 0.620 2.043 0.884 0.000 0.000 0.000 3/21060 360.0 0.603 1.986 0.859 0.000 0.000 0.000 3/21060 370.0 0.586 1.932 0.835 0.000 0.000 0.000 3/21060 380.0 0.570 1.880 0.812 0.000 0.000 0.000 3/21060 390.0 0.555 1.832 0.791 0.000 0.000 0.000 3/21060 400.0 0.541 1.786 0.771 0.000 0.000 0.000 3/21060 410.0 0.528 1.742 0.751 0.000 0.000 0.000 3/21060 420.0 0.515 1.700 0.733 0.000 0.000 0.000 3/21060 430.0 0.503 1.660 0.715 0.000 0.000 0.000 3/21060 440.0 0.491 1.622 0.699 0.000 0.000 0.000 3/21060 450.0 0.480 1.586 0.683 0.000 0.000 0.000 3/21060 460.0 0.470 1.551 0.668 0.000 0.000 0.000 3/21060 470.0 0.459 1.518 0.653 0.000 0.000 0.000 3/21060 480.0 0.450 1.486 0.639 0.000 0.000 0.000 3/21060 490.0 0.440 1.456 0.626 0.000 0.000 0.000 3/21060 500.0 0.432 1.427 0.613 0.000 0.000 0.000 3/21060 510.0 0.423 1.398 0.601 0.000 0.000 0.000 3/21060 520.0 0.415 1.371 0.589 0.000 0.000 0.000 3/21060 530.0 0.407 1.346 0.578 0.000 0.000 0.000 3/21060 540.0 0.399 1.321 0.567 0.000 0.000 0.000 3/21060 550.0 0.392 1.296 0.557 0.000 0.000 0.000 3/21060 560.0 0.385 1.273 0.547 0.000 0.000 0.000 3/21060 570.0 0.378 1.251 0.537 0.000 0.000 0.000 3/21060 580.0 0.372 1.229 0.528 0.000 0.000 0.000 3/21060 590.0 0.365 1.208 0.519 0.000 0.000 0.000 3/21060 600.0 0.359 1.188 0.510 0.000 0.000 0.000 3/21060 610.0 0.353 1.169 0.501 0.000 0.000 0.000 3/21060 620.0 0.347 1.150 0.493 0.000 0.000 0.000 3/21060 630.0 0.342 1.131 0.485 0.000 0.000 0.000 3/21060 640.0 0.336 1.114 0.478 0.000 0.000 0.000 3/21060 650.0 0.331 1.097 0.470 0.000 0.000 0.000 3/21060 660.0 0.326 1.080 0.463 0.000 0.000 0.000 3/21060 670.0 0.321 1.064 0.456 0.000 0.000 0.000 3/21060 680.0 0.317 1.048 0.449 0.000 0.000 0.000 3/21060 690.0 0.312 1.033 0.443 0.000 0.000 0.000 3/21060 700.0 0.307 1.018 0.436 0.000 0.000 0.000 3/21060 710.0 0.303 1.004 0.430 0.000 0.000 0.000 3/21060 720.0 0.299 0.990 0.424 0.000 0.000 0.000 3/21060 730.0 0.295 0.976 0.418 0.000 0.000 0.000 3/21060 740.0 0.291 0.963 0.413 0.000 0.000 0.000 3/21060 750.0 0.287 0.950 0.407 0.000 0.000 0.000 3/21060 760.0 0.283 0.938 0.402 0.000 0.000 0.000 3/21060 770.0 0.279 0.926 0.396 0.000 0.000 0.000 3/21060 780.0 0.276 0.914 0.391 0.000 0.000 0.000 3/21060 790.0 0.272 0.902 0.386 0.000 0.000 0.000 3/21060 800.0 0.269 0.891 0.381 0.000 0.000 0.000 3/21060 810.0 0.266 0.880 0.377 0.000 0.000 0.000 3/21060 820.0 0.262 0.869 0.372 0.000 0.000 0.000 3/21060 830.0 0.259 0.859 0.368 0.000 0.000 0.000 3/21060 840.0 0.256 0.848 0.363 0.000 0.000 0.000 3/21060 850.0 0.253 0.838 0.359 0.000 0.000 0.000 3/21060 860.0 0.250 0.829 0.355 0.000 0.000 0.000 3/21060 870.0 0.247 0.819 0.351 0.000 0.000 0.000 3/21060 880.0 0.244 0.810 0.347 0.000 0.000 0.000 3/21060 890.0 0.242 0.801 0.343 0.000 0.000 0.000 3/21060 900.0 0.239 0.792 0.339 0.000 0.000 0.000 3/21060 910.0 0.236 0.783 0.335 0.000 0.000 0.000 3/21060 920.0 0.234 0.775 0.331 0.000 0.000 0.000 3/21060 930.0 0.231 0.766 0.328 0.000 0.000 0.000 3/21060 940.0 0.229 0.758 0.324 0.000 0.000 0.000 3/21060 950.0 0.226 0.750 0.321 0.000 0.000 0.000 3/21060 960.0 0.224 0.742 0.318 0.000 0.000 0.000 3/21060 970.0 0.222 0.735 0.314 0.000 0.000 0.000 3/21060 980.0 0.219 0.727 0.311 0.000 0.000 0.000 3/21060 990.0 0.217 0.720 0.308 0.000 0.000 0.000 3/21060 1000.0 0.215 0.713 0.305 0.000 0.000 0.000 3/21060Thermal conductivity related properties were written into "kappa-m5133.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 06:08:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|