----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 09:45:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Ibam (72) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.883443950000000 5.618992590000000 6.863436670000000 b 2.883443950000000 -5.618992590000000 6.863436670000000 c 2.883443950000000 5.618992590000000 -6.863436670000000 Atomic positions (fractional): *1 Cs 0.12064270502943 0.23396108147522 0.35460378650465 132.905 2 Cs 0.37935729497057 0.73396108147522 0.11331837644580 132.905 3 Cs 0.62064270502943 0.26603891852478 0.88668162355420 132.905 4 Cs 0.87935729497057 0.76603891852478 0.64539621349535 132.905 *5 Zn 0.25000000000000 0.75000000000000 0.50000000000000 65.380 6 Zn 0.75000000000000 0.25000000000000 0.50000000000000 65.380 *7 Zn 0.47614298173914 0.25000000000000 0.22614298173914 65.380 8 Zn 0.02385701826087 0.25000000000000 0.77385701826087 65.380 9 Zn 0.52385701826087 0.75000000000000 0.77385701826087 65.380 10 Zn 0.97614298173914 0.75000000000000 0.22614298173914 65.380 *11 S 0.52213635852051 0.37591689009487 0.58761706037904 32.065 12 S 0.97786364147949 0.56548070185853 0.85378053157436 32.065 13 S 0.71170017028417 0.12408310990513 0.14621946842564 32.065 14 S 0.78829982971583 0.93451929814147 0.41238293962096 32.065 15 S 0.47786364147949 0.62408310990513 0.41238293962096 32.065 16 S 0.02213635852051 0.43451929814147 0.14621946842564 32.065 17 S 0.28829982971583 0.87591689009487 0.85378053157436 32.065 18 S 0.21170017028417 0.06548070185853 0.58761706037904 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.766887900000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.237985180000001 0.000000000000000 c 0.000000000000000 0.000000000000000 13.726873340000001 Atomic positions (fractional): *1 Cs 0.23396108147522 0.12064270502943 0.00000000000000 132.905 > 1 2 Cs 0.73396108147522 0.37935729497057 0.00000000000000 132.905 > 2 3 Cs 0.26603891852478 0.62064270502943 0.00000000000000 132.905 > 3 4 Cs 0.76603891852478 0.87935729497057 0.00000000000000 132.905 > 4 5 Cs 0.73396108147522 0.62064270502943 0.50000000000000 132.905 > 1 6 Cs 0.23396108147522 0.87935729497057 0.50000000000000 132.905 > 2 7 Cs 0.76603891852478 0.12064270502943 0.50000000000000 132.905 > 3 8 Cs 0.26603891852478 0.37935729497057 0.50000000000000 132.905 > 4 *9 Zn 0.00000000000000 0.50000000000000 0.75000000000000 65.380 > 5 10 Zn 0.00000000000000 0.50000000000000 0.25000000000000 65.380 > 6 *11 Zn 0.50000000000000 0.72614298173914 0.75000000000000 65.380 > 7 12 Zn 0.50000000000000 0.27385701826087 0.75000000000000 65.380 > 8 13 Zn 0.50000000000000 0.27385701826087 0.25000000000000 65.380 > 9 14 Zn 0.50000000000000 0.72614298173914 0.25000000000000 65.380 > 10 15 Zn 0.50000000000000 0.00000000000000 0.25000000000000 65.380 > 5 16 Zn 0.50000000000000 0.00000000000000 0.75000000000000 65.380 > 6 17 Zn 0.00000000000000 0.22614298173914 0.25000000000000 65.380 > 7 18 Zn 0.00000000000000 0.77385701826086 0.25000000000000 65.380 > 8 19 Zn 0.00000000000000 0.77385701826086 0.75000000000000 65.380 > 9 20 Zn 0.00000000000000 0.22614298173914 0.75000000000000 65.380 > 10 *21 S 0.22069879597670 0.36691826440234 0.15521809411817 32.065 > 11 22 S 0.22069879597670 0.63308173559766 0.34478190588183 32.065 > 12 23 S 0.77930120402330 0.36691826440234 0.34478190588183 32.065 > 13 24 S 0.77930120402330 0.63308173559766 0.15521809411817 32.065 > 14 25 S 0.77930120402330 0.63308173559766 0.84478190588183 32.065 > 15 26 S 0.77930120402330 0.36691826440234 0.65521809411817 32.065 > 16 27 S 0.22069879597670 0.63308173559766 0.65521809411817 32.065 > 17 28 S 0.22069879597670 0.36691826440234 0.84478190588183 32.065 > 18 29 S 0.72069879597670 0.86691826440234 0.65521809411817 32.065 > 11 30 S 0.72069879597670 0.13308173559766 0.84478190588183 32.065 > 12 31 S 0.27930120402330 0.86691826440234 0.84478190588183 32.065 > 13 32 S 0.27930120402330 0.13308173559766 0.65521809411817 32.065 > 14 33 S 0.27930120402330 0.13308173559766 0.34478190588183 32.065 > 15 34 S 0.27930120402330 0.86691826440234 0.15521809411817 32.065 > 16 35 S 0.72069879597670 0.13308173559766 0.15521809411817 32.065 > 17 36 S 0.72069879597670 0.86691826440234 0.34478190588183 32.065 > 18 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.533775800000001 0.000000000000000 0.000000000000000 b 0.000000000000000 22.475970360000002 0.000000000000000 c 0.000000000000000 0.000000000000000 13.726873340000001 Atomic positions (fractional): *1 Cs 0.11698054073761 0.06032135251471 0.00000000000000 132.905 > 1 2 Cs 0.61698054073761 0.06032135251471 0.00000000000000 132.905 > 1 3 Cs 0.11698054073761 0.56032135251471 0.00000000000000 132.905 > 1 4 Cs 0.61698054073761 0.56032135251471 0.00000000000000 132.905 > 1 5 Cs 0.36698054073761 0.18967864748529 0.00000000000000 132.905 > 2 6 Cs 0.86698054073761 0.18967864748529 0.00000000000000 132.905 > 2 7 Cs 0.36698054073761 0.68967864748529 0.00000000000000 132.905 > 2 8 Cs 0.86698054073761 0.68967864748529 0.00000000000000 132.905 > 2 9 Cs 0.13301945926239 0.31032135251471 0.00000000000000 132.905 > 3 10 Cs 0.63301945926239 0.31032135251471 0.00000000000000 132.905 > 3 11 Cs 0.13301945926239 0.81032135251471 0.00000000000000 132.905 > 3 12 Cs 0.63301945926239 0.81032135251471 0.00000000000000 132.905 > 3 13 Cs 0.38301945926239 0.43967864748529 0.00000000000000 132.905 > 4 14 Cs 0.88301945926239 0.43967864748529 0.00000000000000 132.905 > 4 15 Cs 0.38301945926239 0.93967864748529 0.00000000000000 132.905 > 4 16 Cs 0.88301945926239 0.93967864748529 0.00000000000000 132.905 > 4 17 Cs 0.36698054073761 0.31032135251471 0.50000000000000 132.905 > 1 18 Cs 0.86698054073761 0.31032135251471 0.50000000000000 132.905 > 1 19 Cs 0.36698054073761 0.81032135251471 0.50000000000000 132.905 > 1 20 Cs 0.86698054073761 0.81032135251471 0.50000000000000 132.905 > 1 21 Cs 0.11698054073761 0.43967864748529 0.50000000000000 132.905 > 2 22 Cs 0.61698054073761 0.43967864748529 0.50000000000000 132.905 > 2 23 Cs 0.11698054073761 0.93967864748529 0.50000000000000 132.905 > 2 24 Cs 0.61698054073761 0.93967864748529 0.50000000000000 132.905 > 2 25 Cs 0.38301945926239 0.06032135251471 0.50000000000000 132.905 > 3 26 Cs 0.88301945926239 0.06032135251471 0.50000000000000 132.905 > 3 27 Cs 0.38301945926239 0.56032135251471 0.50000000000000 132.905 > 3 28 Cs 0.88301945926239 0.56032135251471 0.50000000000000 132.905 > 3 29 Cs 0.13301945926239 0.18967864748529 0.50000000000000 132.905 > 4 30 Cs 0.63301945926239 0.18967864748529 0.50000000000000 132.905 > 4 31 Cs 0.13301945926239 0.68967864748529 0.50000000000000 132.905 > 4 32 Cs 0.63301945926239 0.68967864748529 0.50000000000000 132.905 > 4 *33 Zn 0.00000000000000 0.25000000000000 0.75000000000000 65.380 > 5 34 Zn 0.50000000000000 0.25000000000000 0.75000000000000 65.380 > 5 35 Zn 0.00000000000000 0.75000000000000 0.75000000000000 65.380 > 5 36 Zn 0.50000000000000 0.75000000000000 0.75000000000000 65.380 > 5 37 Zn 0.00000000000000 0.25000000000000 0.25000000000000 65.380 > 6 38 Zn 0.50000000000000 0.25000000000000 0.25000000000000 65.380 > 6 39 Zn 0.00000000000000 0.75000000000000 0.25000000000000 65.380 > 6 40 Zn 0.50000000000000 0.75000000000000 0.25000000000000 65.380 > 6 *41 Zn 0.25000000000000 0.36307149086957 0.75000000000000 65.380 > 7 42 Zn 0.75000000000000 0.36307149086957 0.75000000000000 65.380 > 7 43 Zn 0.25000000000000 0.86307149086957 0.75000000000000 65.380 > 7 44 Zn 0.75000000000000 0.86307149086957 0.75000000000000 65.380 > 7 45 Zn 0.25000000000000 0.13692850913043 0.75000000000000 65.380 > 8 46 Zn 0.75000000000000 0.13692850913043 0.75000000000000 65.380 > 8 47 Zn 0.25000000000000 0.63692850913043 0.75000000000000 65.380 > 8 48 Zn 0.75000000000000 0.63692850913043 0.75000000000000 65.380 > 8 49 Zn 0.25000000000000 0.13692850913043 0.25000000000000 65.380 > 9 50 Zn 0.75000000000000 0.13692850913043 0.25000000000000 65.380 > 9 51 Zn 0.25000000000000 0.63692850913043 0.25000000000000 65.380 > 9 52 Zn 0.75000000000000 0.63692850913043 0.25000000000000 65.380 > 9 53 Zn 0.25000000000000 0.36307149086957 0.25000000000000 65.380 > 10 54 Zn 0.75000000000000 0.36307149086957 0.25000000000000 65.380 > 10 55 Zn 0.25000000000000 0.86307149086957 0.25000000000000 65.380 > 10 56 Zn 0.75000000000000 0.86307149086957 0.25000000000000 65.380 > 10 57 Zn 0.25000000000000 0.00000000000000 0.25000000000000 65.380 > 5 58 Zn 0.75000000000000 0.00000000000000 0.25000000000000 65.380 > 5 59 Zn 0.25000000000000 0.50000000000000 0.25000000000000 65.380 > 5 60 Zn 0.75000000000000 0.50000000000000 0.25000000000000 65.380 > 5 61 Zn 0.25000000000000 0.00000000000000 0.75000000000000 65.380 > 6 62 Zn 0.75000000000000 0.00000000000000 0.75000000000000 65.380 > 6 63 Zn 0.25000000000000 0.50000000000000 0.75000000000000 65.380 > 6 64 Zn 0.75000000000000 0.50000000000000 0.75000000000000 65.380 > 6 65 Zn 0.00000000000000 0.11307149086957 0.25000000000000 65.380 > 7 66 Zn 0.50000000000000 0.11307149086957 0.25000000000000 65.380 > 7 67 Zn 0.00000000000000 0.61307149086957 0.25000000000000 65.380 > 7 68 Zn 0.50000000000000 0.61307149086957 0.25000000000000 65.380 > 7 69 Zn 0.00000000000000 0.38692850913043 0.25000000000000 65.380 > 8 70 Zn 0.50000000000000 0.38692850913043 0.25000000000000 65.380 > 8 71 Zn 0.00000000000000 0.88692850913043 0.25000000000000 65.380 > 8 72 Zn 0.50000000000000 0.88692850913043 0.25000000000000 65.380 > 8 73 Zn 0.00000000000000 0.38692850913043 0.75000000000000 65.380 > 9 74 Zn 0.50000000000000 0.38692850913043 0.75000000000000 65.380 > 9 75 Zn 0.00000000000000 0.88692850913043 0.75000000000000 65.380 > 9 76 Zn 0.50000000000000 0.88692850913043 0.75000000000000 65.380 > 9 77 Zn 0.00000000000000 0.11307149086957 0.75000000000000 65.380 > 10 78 Zn 0.50000000000000 0.11307149086957 0.75000000000000 65.380 > 10 79 Zn 0.00000000000000 0.61307149086957 0.75000000000000 65.380 > 10 80 Zn 0.50000000000000 0.61307149086957 0.75000000000000 65.380 > 10 *81 S 0.11034939798835 0.18345913220117 0.15521809411817 32.065 > 11 82 S 0.61034939798835 0.18345913220117 0.15521809411817 32.065 > 11 83 S 0.11034939798835 0.68345913220117 0.15521809411817 32.065 > 11 84 S 0.61034939798835 0.68345913220117 0.15521809411817 32.065 > 11 85 S 0.11034939798835 0.31654086779883 0.34478190588183 32.065 > 12 86 S 0.61034939798835 0.31654086779883 0.34478190588183 32.065 > 12 87 S 0.11034939798835 0.81654086779883 0.34478190588183 32.065 > 12 88 S 0.61034939798835 0.81654086779883 0.34478190588183 32.065 > 12 89 S 0.38965060201165 0.18345913220117 0.34478190588183 32.065 > 13 90 S 0.88965060201165 0.18345913220117 0.34478190588183 32.065 > 13 91 S 0.38965060201165 0.68345913220117 0.34478190588183 32.065 > 13 92 S 0.88965060201165 0.68345913220117 0.34478190588183 32.065 > 13 93 S 0.38965060201165 0.31654086779883 0.15521809411817 32.065 > 14 94 S 0.88965060201165 0.31654086779883 0.15521809411817 32.065 > 14 95 S 0.38965060201165 0.81654086779883 0.15521809411817 32.065 > 14 96 S 0.88965060201165 0.81654086779883 0.15521809411817 32.065 > 14 97 S 0.38965060201165 0.31654086779883 0.84478190588183 32.065 > 15 98 S 0.88965060201165 0.31654086779883 0.84478190588183 32.065 > 15 99 S 0.38965060201165 0.81654086779883 0.84478190588183 32.065 > 15 100 S 0.88965060201165 0.81654086779883 0.84478190588183 32.065 > 15 101 S 0.38965060201165 0.18345913220117 0.65521809411817 32.065 > 16 102 S 0.88965060201165 0.18345913220117 0.65521809411817 32.065 > 16 103 S 0.38965060201165 0.68345913220117 0.65521809411817 32.065 > 16 104 S 0.88965060201165 0.68345913220117 0.65521809411817 32.065 > 16 105 S 0.11034939798835 0.31654086779883 0.65521809411817 32.065 > 17 106 S 0.61034939798835 0.31654086779883 0.65521809411817 32.065 > 17 107 S 0.11034939798835 0.81654086779883 0.65521809411817 32.065 > 17 108 S 0.61034939798835 0.81654086779883 0.65521809411817 32.065 > 17 109 S 0.11034939798835 0.18345913220117 0.84478190588183 32.065 > 18 110 S 0.61034939798835 0.18345913220117 0.84478190588183 32.065 > 18 111 S 0.11034939798835 0.68345913220117 0.84478190588183 32.065 > 18 112 S 0.61034939798835 0.68345913220117 0.84478190588183 32.065 > 18 113 S 0.36034939798835 0.43345913220117 0.65521809411817 32.065 > 11 114 S 0.86034939798835 0.43345913220117 0.65521809411817 32.065 > 11 115 S 0.36034939798835 0.93345913220117 0.65521809411817 32.065 > 11 116 S 0.86034939798835 0.93345913220117 0.65521809411817 32.065 > 11 117 S 0.36034939798835 0.06654086779883 0.84478190588183 32.065 > 12 118 S 0.86034939798835 0.06654086779883 0.84478190588183 32.065 > 12 119 S 0.36034939798835 0.56654086779883 0.84478190588183 32.065 > 12 120 S 0.86034939798835 0.56654086779883 0.84478190588183 32.065 > 12 121 S 0.13965060201165 0.43345913220117 0.84478190588183 32.065 > 13 122 S 0.63965060201165 0.43345913220117 0.84478190588183 32.065 > 13 123 S 0.13965060201165 0.93345913220117 0.84478190588183 32.065 > 13 124 S 0.63965060201165 0.93345913220117 0.84478190588183 32.065 > 13 125 S 0.13965060201165 0.06654086779883 0.65521809411817 32.065 > 14 126 S 0.63965060201165 0.06654086779883 0.65521809411817 32.065 > 14 127 S 0.13965060201165 0.56654086779883 0.65521809411817 32.065 > 14 128 S 0.63965060201165 0.56654086779883 0.65521809411817 32.065 > 14 129 S 0.13965060201165 0.06654086779883 0.34478190588183 32.065 > 15 130 S 0.63965060201165 0.06654086779883 0.34478190588183 32.065 > 15 131 S 0.13965060201165 0.56654086779883 0.34478190588183 32.065 > 15 132 S 0.63965060201165 0.56654086779883 0.34478190588183 32.065 > 15 133 S 0.13965060201165 0.43345913220117 0.15521809411817 32.065 > 16 134 S 0.63965060201165 0.43345913220117 0.15521809411817 32.065 > 16 135 S 0.13965060201165 0.93345913220117 0.15521809411817 32.065 > 16 136 S 0.63965060201165 0.93345913220117 0.15521809411817 32.065 > 16 137 S 0.36034939798835 0.06654086779883 0.15521809411817 32.065 > 17 138 S 0.86034939798835 0.06654086779883 0.15521809411817 32.065 > 17 139 S 0.36034939798835 0.56654086779883 0.15521809411817 32.065 > 17 140 S 0.86034939798835 0.56654086779883 0.15521809411817 32.065 > 17 141 S 0.36034939798835 0.43345913220117 0.34478190588183 32.065 > 18 142 S 0.86034939798835 0.43345913220117 0.34478190588183 32.065 > 18 143 S 0.36034939798835 0.93345913220117 0.34478190588183 32.065 > 18 144 S 0.86034939798835 0.93345913220117 0.34478190588183 32.065 > 18 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.2351426 0.0000000 0.0000000 0.0000000 5.0856504 0.0000000 0.0000000 0.0000000 4.4862027 -------------------------- Born effective charges -------------------------- 1 Cs 1.2934538 -0.1128613 0.0000000 -0.0218426 1.3048613 0.0000000 0.0000000 0.0000000 1.7476712 2 Cs 1.2934538 0.1128613 0.0000000 0.0218426 1.3048613 0.0000000 0.0000000 0.0000000 1.7476712 3 Cs 1.2934538 0.1128613 0.0000000 0.0218426 1.3048613 0.0000000 0.0000000 0.0000000 1.7476712 4 Cs 1.2934538 -0.1128613 0.0000000 -0.0218426 1.3048613 0.0000000 0.0000000 0.0000000 1.7476712 5 Zn 1.6836040 0.0000000 0.0000000 0.0000000 2.6789941 0.0000000 0.0000000 0.0000000 1.0839967 6 Zn 1.6836040 0.0000000 0.0000000 0.0000000 2.6789941 0.0000000 0.0000000 0.0000000 1.0839967 7 Zn 2.3465409 0.0000000 0.4183053 0.0000000 1.7319665 0.0000000 0.1098206 0.0000000 1.1449029 8 Zn 2.3465409 0.0000000 -0.4183053 0.0000000 1.7319665 0.0000000 -0.1098206 0.0000000 1.1449029 9 Zn 2.3465409 0.0000000 0.4183053 0.0000000 1.7319665 0.0000000 0.1098206 0.0000000 1.1449029 10 Zn 2.3465409 0.0000000 -0.4183053 0.0000000 1.7319665 0.0000000 -0.1098206 0.0000000 1.1449029 11 S -2.2408984 0.2569141 0.1013713 0.3457720 -2.1881625 0.2534752 0.1709021 0.2020005 -1.7172862 12 S -2.2408984 -0.2569141 -0.1013713 -0.3457720 -2.1881625 0.2534752 -0.1709021 0.2020005 -1.7172862 13 S -2.2408984 -0.2569141 0.1013713 -0.3457720 -2.1881625 -0.2534752 0.1709021 -0.2020005 -1.7172862 14 S -2.2408984 0.2569141 -0.1013713 0.3457720 -2.1881625 -0.2534752 -0.1709021 -0.2020005 -1.7172862 15 S -2.2408984 0.2569141 0.1013713 0.3457720 -2.1881625 0.2534752 0.1709021 0.2020005 -1.7172862 16 S -2.2408984 -0.2569141 -0.1013713 -0.3457720 -2.1881625 0.2534752 -0.1709021 0.2020005 -1.7172862 17 S -2.2408984 -0.2569141 0.1013713 -0.3457720 -2.1881625 -0.2534752 0.1709021 -0.2020005 -1.7172862 18 S -2.2408984 0.2569141 -0.1013713 0.3457720 -2.1881625 -0.2534752 -0.1709021 -0.2020005 -1.7172862 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 13968/13968 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1612 Number of blocks in projector: 1612 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 322 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 322 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 290 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 226 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 226 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 226 Use standard eigh solver. Tree of FC basis block matrices: - (1612, 1590), data: False |-- (226, 222), data: True |-- (226, 222), data: True |-- (226, 222), data: True |-- (290, 288), data: True |-- (322, 318), data: True |-- (322, 318), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 320 - Time: 2.943 Solver_block: 200 / 320 - Time: 2.932 Solver_block: 300 / 320 - Time: 2.937 Solver_block: 320 / 320 - Time: 0.690 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 9.618 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 13968/13968 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1612 Number of blocks in projector: 1612 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 322 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 322 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 290 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 226 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 226 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 226 Use standard eigh solver. Tree of FC basis block matrices: - (1612, 1590), data: False |-- (226, 222), data: True |-- (226, 222), data: True |-- (226, 222), data: True |-- (290, 288), data: True |-- (322, 318), data: True |-- (322, 318), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 09:46:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:46:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Ibam (72) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.883443950000000 5.618992590000000 6.863436670000000 b 2.883443950000000 -5.618992590000000 6.863436670000000 c 2.883443950000000 5.618992590000000 -6.863436670000000 Atomic positions (fractional): 1 Cs 0.12064270502943 0.23396108147522 0.35460378650465 132.905 2 Cs 0.37935729497057 0.73396108147522 0.11331837644580 132.905 3 Cs 0.62064270502943 0.26603891852478 0.88668162355420 132.905 4 Cs 0.87935729497057 0.76603891852478 0.64539621349535 132.905 5 Zn 0.25000000000000 0.75000000000000 0.50000000000000 65.380 6 Zn 0.75000000000000 0.25000000000000 0.50000000000000 65.380 7 Zn 0.47614298173914 0.25000000000000 0.22614298173914 65.380 8 Zn 0.02385701826087 0.25000000000000 0.77385701826087 65.380 9 Zn 0.52385701826087 0.75000000000000 0.77385701826087 65.380 10 Zn 0.97614298173914 0.75000000000000 0.22614298173914 65.380 11 S 0.52213635852051 0.37591689009487 0.58761706037904 32.065 12 S 0.97786364147949 0.56548070185853 0.85378053157436 32.065 13 S 0.71170017028417 0.12408310990513 0.14621946842564 32.065 14 S 0.78829982971583 0.93451929814147 0.41238293962096 32.065 15 S 0.47786364147949 0.62408310990513 0.41238293962096 32.065 16 S 0.02213635852051 0.43451929814147 0.14621946842564 32.065 17 S 0.28829982971583 0.87591689009487 0.85378053157436 32.065 18 S 0.21170017028417 0.06548070185853 0.58761706037904 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.533775800000001 0.000000000000000 0.000000000000000 b 0.000000000000000 22.475970360000002 0.000000000000000 c 0.000000000000000 0.000000000000000 13.726873340000001 Atomic positions (fractional): 1 Cs 0.11698054073761 0.06032135251471 0.00000000000000 132.905 > 1 2 Cs 0.61698054073761 0.06032135251471 0.00000000000000 132.905 > 1 3 Cs 0.11698054073761 0.56032135251471 0.00000000000000 132.905 > 1 4 Cs 0.61698054073761 0.56032135251471 0.00000000000000 132.905 > 1 5 Cs 0.36698054073761 0.18967864748529 0.00000000000000 132.905 > 5 6 Cs 0.86698054073761 0.18967864748529 0.00000000000000 132.905 > 5 7 Cs 0.36698054073761 0.68967864748529 0.00000000000000 132.905 > 5 8 Cs 0.86698054073761 0.68967864748529 0.00000000000000 132.905 > 5 9 Cs 0.13301945926239 0.31032135251471 0.00000000000000 132.905 > 9 10 Cs 0.63301945926239 0.31032135251471 0.00000000000000 132.905 > 9 11 Cs 0.13301945926239 0.81032135251471 0.00000000000000 132.905 > 9 12 Cs 0.63301945926239 0.81032135251471 0.00000000000000 132.905 > 9 13 Cs 0.38301945926239 0.43967864748529 0.00000000000000 132.905 > 13 14 Cs 0.88301945926239 0.43967864748529 0.00000000000000 132.905 > 13 15 Cs 0.38301945926239 0.93967864748529 0.00000000000000 132.905 > 13 16 Cs 0.88301945926239 0.93967864748529 0.00000000000000 132.905 > 13 17 Cs 0.36698054073761 0.31032135251471 0.50000000000000 132.905 > 1 18 Cs 0.86698054073761 0.31032135251471 0.50000000000000 132.905 > 1 19 Cs 0.36698054073761 0.81032135251471 0.50000000000000 132.905 > 1 20 Cs 0.86698054073761 0.81032135251471 0.50000000000000 132.905 > 1 21 Cs 0.11698054073761 0.43967864748529 0.50000000000000 132.905 > 5 22 Cs 0.61698054073761 0.43967864748529 0.50000000000000 132.905 > 5 23 Cs 0.11698054073761 0.93967864748529 0.50000000000000 132.905 > 5 24 Cs 0.61698054073761 0.93967864748529 0.50000000000000 132.905 > 5 25 Cs 0.38301945926239 0.06032135251471 0.50000000000000 132.905 > 9 26 Cs 0.88301945926239 0.06032135251471 0.50000000000000 132.905 > 9 27 Cs 0.38301945926239 0.56032135251471 0.50000000000000 132.905 > 9 28 Cs 0.88301945926239 0.56032135251471 0.50000000000000 132.905 > 9 29 Cs 0.13301945926239 0.18967864748529 0.50000000000000 132.905 > 13 30 Cs 0.63301945926239 0.18967864748529 0.50000000000000 132.905 > 13 31 Cs 0.13301945926239 0.68967864748529 0.50000000000000 132.905 > 13 32 Cs 0.63301945926239 0.68967864748529 0.50000000000000 132.905 > 13 33 Zn 0.00000000000000 0.25000000000000 0.75000000000000 65.380 > 33 34 Zn 0.50000000000000 0.25000000000000 0.75000000000000 65.380 > 33 35 Zn 0.00000000000000 0.75000000000000 0.75000000000000 65.380 > 33 36 Zn 0.50000000000000 0.75000000000000 0.75000000000000 65.380 > 33 37 Zn 0.00000000000000 0.25000000000000 0.25000000000000 65.380 > 37 38 Zn 0.50000000000000 0.25000000000000 0.25000000000000 65.380 > 37 39 Zn 0.00000000000000 0.75000000000000 0.25000000000000 65.380 > 37 40 Zn 0.50000000000000 0.75000000000000 0.25000000000000 65.380 > 37 41 Zn 0.25000000000000 0.36307149086957 0.75000000000000 65.380 > 41 42 Zn 0.75000000000000 0.36307149086957 0.75000000000000 65.380 > 41 43 Zn 0.25000000000000 0.86307149086957 0.75000000000000 65.380 > 41 44 Zn 0.75000000000000 0.86307149086957 0.75000000000000 65.380 > 41 45 Zn 0.25000000000000 0.13692850913043 0.75000000000000 65.380 > 45 46 Zn 0.75000000000000 0.13692850913043 0.75000000000000 65.380 > 45 47 Zn 0.25000000000000 0.63692850913043 0.75000000000000 65.380 > 45 48 Zn 0.75000000000000 0.63692850913043 0.75000000000000 65.380 > 45 49 Zn 0.25000000000000 0.13692850913043 0.25000000000000 65.380 > 49 50 Zn 0.75000000000000 0.13692850913043 0.25000000000000 65.380 > 49 51 Zn 0.25000000000000 0.63692850913043 0.25000000000000 65.380 > 49 52 Zn 0.75000000000000 0.63692850913043 0.25000000000000 65.380 > 49 53 Zn 0.25000000000000 0.36307149086957 0.25000000000000 65.380 > 53 54 Zn 0.75000000000000 0.36307149086957 0.25000000000000 65.380 > 53 55 Zn 0.25000000000000 0.86307149086957 0.25000000000000 65.380 > 53 56 Zn 0.75000000000000 0.86307149086957 0.25000000000000 65.380 > 53 57 Zn 0.25000000000000 0.00000000000000 0.25000000000000 65.380 > 33 58 Zn 0.75000000000000 0.00000000000000 0.25000000000000 65.380 > 33 59 Zn 0.25000000000000 0.50000000000000 0.25000000000000 65.380 > 33 60 Zn 0.75000000000000 0.50000000000000 0.25000000000000 65.380 > 33 61 Zn 0.25000000000000 0.00000000000000 0.75000000000000 65.380 > 37 62 Zn 0.75000000000000 0.00000000000000 0.75000000000000 65.380 > 37 63 Zn 0.25000000000000 0.50000000000000 0.75000000000000 65.380 > 37 64 Zn 0.75000000000000 0.50000000000000 0.75000000000000 65.380 > 37 65 Zn 0.00000000000000 0.11307149086957 0.25000000000000 65.380 > 41 66 Zn 0.50000000000000 0.11307149086957 0.25000000000000 65.380 > 41 67 Zn 0.00000000000000 0.61307149086957 0.25000000000000 65.380 > 41 68 Zn 0.50000000000000 0.61307149086957 0.25000000000000 65.380 > 41 69 Zn 0.00000000000000 0.38692850913043 0.25000000000000 65.380 > 45 70 Zn 0.50000000000000 0.38692850913043 0.25000000000000 65.380 > 45 71 Zn 0.00000000000000 0.88692850913043 0.25000000000000 65.380 > 45 72 Zn 0.50000000000000 0.88692850913043 0.25000000000000 65.380 > 45 73 Zn 0.00000000000000 0.38692850913043 0.75000000000000 65.380 > 49 74 Zn 0.50000000000000 0.38692850913043 0.75000000000000 65.380 > 49 75 Zn 0.00000000000000 0.88692850913043 0.75000000000000 65.380 > 49 76 Zn 0.50000000000000 0.88692850913043 0.75000000000000 65.380 > 49 77 Zn 0.00000000000000 0.11307149086957 0.75000000000000 65.380 > 53 78 Zn 0.50000000000000 0.11307149086957 0.75000000000000 65.380 > 53 79 Zn 0.00000000000000 0.61307149086957 0.75000000000000 65.380 > 53 80 Zn 0.50000000000000 0.61307149086957 0.75000000000000 65.380 > 53 81 S 0.11034939798835 0.18345913220117 0.15521809411817 32.065 > 81 82 S 0.61034939798835 0.18345913220117 0.15521809411817 32.065 > 81 83 S 0.11034939798835 0.68345913220117 0.15521809411817 32.065 > 81 84 S 0.61034939798835 0.68345913220117 0.15521809411817 32.065 > 81 85 S 0.11034939798835 0.31654086779883 0.34478190588183 32.065 > 85 86 S 0.61034939798835 0.31654086779883 0.34478190588183 32.065 > 85 87 S 0.11034939798835 0.81654086779883 0.34478190588183 32.065 > 85 88 S 0.61034939798835 0.81654086779883 0.34478190588183 32.065 > 85 89 S 0.38965060201165 0.18345913220117 0.34478190588183 32.065 > 89 90 S 0.88965060201165 0.18345913220117 0.34478190588183 32.065 > 89 91 S 0.38965060201165 0.68345913220117 0.34478190588183 32.065 > 89 92 S 0.88965060201165 0.68345913220117 0.34478190588183 32.065 > 89 93 S 0.38965060201165 0.31654086779883 0.15521809411817 32.065 > 93 94 S 0.88965060201165 0.31654086779883 0.15521809411817 32.065 > 93 95 S 0.38965060201165 0.81654086779883 0.15521809411817 32.065 > 93 96 S 0.88965060201165 0.81654086779883 0.15521809411817 32.065 > 93 97 S 0.38965060201165 0.31654086779883 0.84478190588183 32.065 > 97 98 S 0.88965060201165 0.31654086779883 0.84478190588183 32.065 > 97 99 S 0.38965060201165 0.81654086779883 0.84478190588183 32.065 > 97 100 S 0.88965060201165 0.81654086779883 0.84478190588183 32.065 > 97 101 S 0.38965060201165 0.18345913220117 0.65521809411817 32.065 > 101 102 S 0.88965060201165 0.18345913220117 0.65521809411817 32.065 > 101 103 S 0.38965060201165 0.68345913220117 0.65521809411817 32.065 > 101 104 S 0.88965060201165 0.68345913220117 0.65521809411817 32.065 > 101 105 S 0.11034939798835 0.31654086779883 0.65521809411817 32.065 > 105 106 S 0.61034939798835 0.31654086779883 0.65521809411817 32.065 > 105 107 S 0.11034939798835 0.81654086779883 0.65521809411817 32.065 > 105 108 S 0.61034939798835 0.81654086779883 0.65521809411817 32.065 > 105 109 S 0.11034939798835 0.18345913220117 0.84478190588183 32.065 > 109 110 S 0.61034939798835 0.18345913220117 0.84478190588183 32.065 > 109 111 S 0.11034939798835 0.68345913220117 0.84478190588183 32.065 > 109 112 S 0.61034939798835 0.68345913220117 0.84478190588183 32.065 > 109 113 S 0.36034939798835 0.43345913220117 0.65521809411817 32.065 > 81 114 S 0.86034939798835 0.43345913220117 0.65521809411817 32.065 > 81 115 S 0.36034939798835 0.93345913220117 0.65521809411817 32.065 > 81 116 S 0.86034939798835 0.93345913220117 0.65521809411817 32.065 > 81 117 S 0.36034939798835 0.06654086779883 0.84478190588183 32.065 > 85 118 S 0.86034939798835 0.06654086779883 0.84478190588183 32.065 > 85 119 S 0.36034939798835 0.56654086779883 0.84478190588183 32.065 > 85 120 S 0.86034939798835 0.56654086779883 0.84478190588183 32.065 > 85 121 S 0.13965060201165 0.43345913220117 0.84478190588183 32.065 > 89 122 S 0.63965060201165 0.43345913220117 0.84478190588183 32.065 > 89 123 S 0.13965060201165 0.93345913220117 0.84478190588183 32.065 > 89 124 S 0.63965060201165 0.93345913220117 0.84478190588183 32.065 > 89 125 S 0.13965060201165 0.06654086779883 0.65521809411817 32.065 > 93 126 S 0.63965060201165 0.06654086779883 0.65521809411817 32.065 > 93 127 S 0.13965060201165 0.56654086779883 0.65521809411817 32.065 > 93 128 S 0.63965060201165 0.56654086779883 0.65521809411817 32.065 > 93 129 S 0.13965060201165 0.06654086779883 0.34478190588183 32.065 > 97 130 S 0.63965060201165 0.06654086779883 0.34478190588183 32.065 > 97 131 S 0.13965060201165 0.56654086779883 0.34478190588183 32.065 > 97 132 S 0.63965060201165 0.56654086779883 0.34478190588183 32.065 > 97 133 S 0.13965060201165 0.43345913220117 0.15521809411817 32.065 > 101 134 S 0.63965060201165 0.43345913220117 0.15521809411817 32.065 > 101 135 S 0.13965060201165 0.93345913220117 0.15521809411817 32.065 > 101 136 S 0.63965060201165 0.93345913220117 0.15521809411817 32.065 > 101 137 S 0.36034939798835 0.06654086779883 0.15521809411817 32.065 > 105 138 S 0.86034939798835 0.06654086779883 0.15521809411817 32.065 > 105 139 S 0.36034939798835 0.56654086779883 0.15521809411817 32.065 > 105 140 S 0.86034939798835 0.56654086779883 0.15521809411817 32.065 > 105 141 S 0.36034939798835 0.43345913220117 0.34478190588183 32.065 > 109 142 S 0.86034939798835 0.43345913220117 0.34478190588183 32.065 > 109 143 S 0.36034939798835 0.93345913220117 0.34478190588183 32.065 > 109 144 S 0.86034939798835 0.93345913220117 0.34478190588183 32.065 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.2351426 0.0000000 0.0000000 0.0000000 5.0856504 0.0000000 0.0000000 0.0000000 4.4862027 -------------------------- Born effective charges -------------------------- 1 Cs 1.2934538 -0.1128613 0.0000000 -0.0218426 1.3048613 0.0000000 0.0000000 0.0000000 1.7476712 2 Cs 1.2934538 0.1128613 0.0000000 0.0218426 1.3048613 0.0000000 0.0000000 0.0000000 1.7476712 3 Cs 1.2934538 0.1128613 0.0000000 0.0218426 1.3048613 0.0000000 0.0000000 0.0000000 1.7476712 4 Cs 1.2934538 -0.1128613 0.0000000 -0.0218426 1.3048613 0.0000000 0.0000000 0.0000000 1.7476712 5 Zn 1.6836040 0.0000000 0.0000000 0.0000000 2.6789941 0.0000000 0.0000000 0.0000000 1.0839967 6 Zn 1.6836040 0.0000000 0.0000000 0.0000000 2.6789941 0.0000000 0.0000000 0.0000000 1.0839967 7 Zn 2.3465409 0.0000000 0.4183053 0.0000000 1.7319665 0.0000000 0.1098206 0.0000000 1.1449029 8 Zn 2.3465409 0.0000000 -0.4183053 0.0000000 1.7319665 0.0000000 -0.1098206 0.0000000 1.1449029 9 Zn 2.3465409 0.0000000 0.4183053 0.0000000 1.7319665 0.0000000 0.1098206 0.0000000 1.1449029 10 Zn 2.3465409 0.0000000 -0.4183053 0.0000000 1.7319665 0.0000000 -0.1098206 0.0000000 1.1449029 11 S -2.2408984 0.2569141 0.1013713 0.3457720 -2.1881625 0.2534752 0.1709021 0.2020005 -1.7172862 12 S -2.2408984 -0.2569141 -0.1013713 -0.3457720 -2.1881625 0.2534752 -0.1709021 0.2020005 -1.7172862 13 S -2.2408984 -0.2569141 0.1013713 -0.3457720 -2.1881625 -0.2534752 0.1709021 -0.2020005 -1.7172862 14 S -2.2408984 0.2569141 -0.1013713 0.3457720 -2.1881625 -0.2534752 -0.1709021 -0.2020005 -1.7172862 15 S -2.2408984 0.2569141 0.1013713 0.3457720 -2.1881625 0.2534752 0.1709021 0.2020005 -1.7172862 16 S -2.2408984 -0.2569141 -0.1013713 -0.3457720 -2.1881625 0.2534752 -0.1709021 0.2020005 -1.7172862 17 S -2.2408984 -0.2569141 0.1013713 -0.3457720 -2.1881625 -0.2534752 0.1709021 -0.2020005 -1.7172862 18 S -2.2408984 0.2569141 -0.1013713 0.3457720 -2.1881625 -0.2534752 -0.1709021 -0.2020005 -1.7172862 ---------------------------------------------------------------------------- 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[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, 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[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:46:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:46:40]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Ibam (72) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.883443950000000 5.618992590000000 6.863436670000000 b 2.883443950000000 -5.618992590000000 6.863436670000000 c 2.883443950000000 5.618992590000000 -6.863436670000000 Atomic positions (fractional): 1 Cs 0.12064270502943 0.23396108147522 0.35460378650465 132.905 2 Cs 0.37935729497057 0.73396108147522 0.11331837644580 132.905 3 Cs 0.62064270502943 0.26603891852478 0.88668162355420 132.905 4 Cs 0.87935729497057 0.76603891852478 0.64539621349535 132.905 5 Zn 0.25000000000000 0.75000000000000 0.50000000000000 65.380 6 Zn 0.75000000000000 0.25000000000000 0.50000000000000 65.380 7 Zn 0.47614298173914 0.25000000000000 0.22614298173914 65.380 8 Zn 0.02385701826087 0.25000000000000 0.77385701826087 65.380 9 Zn 0.52385701826087 0.75000000000000 0.77385701826087 65.380 10 Zn 0.97614298173914 0.75000000000000 0.22614298173914 65.380 11 S 0.52213635852051 0.37591689009487 0.58761706037904 32.065 12 S 0.97786364147949 0.56548070185853 0.85378053157436 32.065 13 S 0.71170017028417 0.12408310990513 0.14621946842564 32.065 14 S 0.78829982971583 0.93451929814147 0.41238293962096 32.065 15 S 0.47786364147949 0.62408310990513 0.41238293962096 32.065 16 S 0.02213635852051 0.43451929814147 0.14621946842564 32.065 17 S 0.28829982971583 0.87591689009487 0.85378053157436 32.065 18 S 0.21170017028417 0.06548070185853 0.58761706037904 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.533775800000001 0.000000000000000 0.000000000000000 b 0.000000000000000 22.475970360000002 0.000000000000000 c 0.000000000000000 0.000000000000000 13.726873340000001 Atomic positions (fractional): 1 Cs 0.11698054073761 0.06032135251471 0.00000000000000 132.905 > 1 2 Cs 0.61698054073761 0.06032135251471 0.00000000000000 132.905 > 1 3 Cs 0.11698054073761 0.56032135251471 0.00000000000000 132.905 > 1 4 Cs 0.61698054073761 0.56032135251471 0.00000000000000 132.905 > 1 5 Cs 0.36698054073761 0.18967864748529 0.00000000000000 132.905 > 5 6 Cs 0.86698054073761 0.18967864748529 0.00000000000000 132.905 > 5 7 Cs 0.36698054073761 0.68967864748529 0.00000000000000 132.905 > 5 8 Cs 0.86698054073761 0.68967864748529 0.00000000000000 132.905 > 5 9 Cs 0.13301945926239 0.31032135251471 0.00000000000000 132.905 > 9 10 Cs 0.63301945926239 0.31032135251471 0.00000000000000 132.905 > 9 11 Cs 0.13301945926239 0.81032135251471 0.00000000000000 132.905 > 9 12 Cs 0.63301945926239 0.81032135251471 0.00000000000000 132.905 > 9 13 Cs 0.38301945926239 0.43967864748529 0.00000000000000 132.905 > 13 14 Cs 0.88301945926239 0.43967864748529 0.00000000000000 132.905 > 13 15 Cs 0.38301945926239 0.93967864748529 0.00000000000000 132.905 > 13 16 Cs 0.88301945926239 0.93967864748529 0.00000000000000 132.905 > 13 17 Cs 0.36698054073761 0.31032135251471 0.50000000000000 132.905 > 1 18 Cs 0.86698054073761 0.31032135251471 0.50000000000000 132.905 > 1 19 Cs 0.36698054073761 0.81032135251471 0.50000000000000 132.905 > 1 20 Cs 0.86698054073761 0.81032135251471 0.50000000000000 132.905 > 1 21 Cs 0.11698054073761 0.43967864748529 0.50000000000000 132.905 > 5 22 Cs 0.61698054073761 0.43967864748529 0.50000000000000 132.905 > 5 23 Cs 0.11698054073761 0.93967864748529 0.50000000000000 132.905 > 5 24 Cs 0.61698054073761 0.93967864748529 0.50000000000000 132.905 > 5 25 Cs 0.38301945926239 0.06032135251471 0.50000000000000 132.905 > 9 26 Cs 0.88301945926239 0.06032135251471 0.50000000000000 132.905 > 9 27 Cs 0.38301945926239 0.56032135251471 0.50000000000000 132.905 > 9 28 Cs 0.88301945926239 0.56032135251471 0.50000000000000 132.905 > 9 29 Cs 0.13301945926239 0.18967864748529 0.50000000000000 132.905 > 13 30 Cs 0.63301945926239 0.18967864748529 0.50000000000000 132.905 > 13 31 Cs 0.13301945926239 0.68967864748529 0.50000000000000 132.905 > 13 32 Cs 0.63301945926239 0.68967864748529 0.50000000000000 132.905 > 13 33 Zn 0.00000000000000 0.25000000000000 0.75000000000000 65.380 > 33 34 Zn 0.50000000000000 0.25000000000000 0.75000000000000 65.380 > 33 35 Zn 0.00000000000000 0.75000000000000 0.75000000000000 65.380 > 33 36 Zn 0.50000000000000 0.75000000000000 0.75000000000000 65.380 > 33 37 Zn 0.00000000000000 0.25000000000000 0.25000000000000 65.380 > 37 38 Zn 0.50000000000000 0.25000000000000 0.25000000000000 65.380 > 37 39 Zn 0.00000000000000 0.75000000000000 0.25000000000000 65.380 > 37 40 Zn 0.50000000000000 0.75000000000000 0.25000000000000 65.380 > 37 41 Zn 0.25000000000000 0.36307149086957 0.75000000000000 65.380 > 41 42 Zn 0.75000000000000 0.36307149086957 0.75000000000000 65.380 > 41 43 Zn 0.25000000000000 0.86307149086957 0.75000000000000 65.380 > 41 44 Zn 0.75000000000000 0.86307149086957 0.75000000000000 65.380 > 41 45 Zn 0.25000000000000 0.13692850913043 0.75000000000000 65.380 > 45 46 Zn 0.75000000000000 0.13692850913043 0.75000000000000 65.380 > 45 47 Zn 0.25000000000000 0.63692850913043 0.75000000000000 65.380 > 45 48 Zn 0.75000000000000 0.63692850913043 0.75000000000000 65.380 > 45 49 Zn 0.25000000000000 0.13692850913043 0.25000000000000 65.380 > 49 50 Zn 0.75000000000000 0.13692850913043 0.25000000000000 65.380 > 49 51 Zn 0.25000000000000 0.63692850913043 0.25000000000000 65.380 > 49 52 Zn 0.75000000000000 0.63692850913043 0.25000000000000 65.380 > 49 53 Zn 0.25000000000000 0.36307149086957 0.25000000000000 65.380 > 53 54 Zn 0.75000000000000 0.36307149086957 0.25000000000000 65.380 > 53 55 Zn 0.25000000000000 0.86307149086957 0.25000000000000 65.380 > 53 56 Zn 0.75000000000000 0.86307149086957 0.25000000000000 65.380 > 53 57 Zn 0.25000000000000 0.00000000000000 0.25000000000000 65.380 > 33 58 Zn 0.75000000000000 0.00000000000000 0.25000000000000 65.380 > 33 59 Zn 0.25000000000000 0.50000000000000 0.25000000000000 65.380 > 33 60 Zn 0.75000000000000 0.50000000000000 0.25000000000000 65.380 > 33 61 Zn 0.25000000000000 0.00000000000000 0.75000000000000 65.380 > 37 62 Zn 0.75000000000000 0.00000000000000 0.75000000000000 65.380 > 37 63 Zn 0.25000000000000 0.50000000000000 0.75000000000000 65.380 > 37 64 Zn 0.75000000000000 0.50000000000000 0.75000000000000 65.380 > 37 65 Zn 0.00000000000000 0.11307149086957 0.25000000000000 65.380 > 41 66 Zn 0.50000000000000 0.11307149086957 0.25000000000000 65.380 > 41 67 Zn 0.00000000000000 0.61307149086957 0.25000000000000 65.380 > 41 68 Zn 0.50000000000000 0.61307149086957 0.25000000000000 65.380 > 41 69 Zn 0.00000000000000 0.38692850913043 0.25000000000000 65.380 > 45 70 Zn 0.50000000000000 0.38692850913043 0.25000000000000 65.380 > 45 71 Zn 0.00000000000000 0.88692850913043 0.25000000000000 65.380 > 45 72 Zn 0.50000000000000 0.88692850913043 0.25000000000000 65.380 > 45 73 Zn 0.00000000000000 0.38692850913043 0.75000000000000 65.380 > 49 74 Zn 0.50000000000000 0.38692850913043 0.75000000000000 65.380 > 49 75 Zn 0.00000000000000 0.88692850913043 0.75000000000000 65.380 > 49 76 Zn 0.50000000000000 0.88692850913043 0.75000000000000 65.380 > 49 77 Zn 0.00000000000000 0.11307149086957 0.75000000000000 65.380 > 53 78 Zn 0.50000000000000 0.11307149086957 0.75000000000000 65.380 > 53 79 Zn 0.00000000000000 0.61307149086957 0.75000000000000 65.380 > 53 80 Zn 0.50000000000000 0.61307149086957 0.75000000000000 65.380 > 53 81 S 0.11034939798835 0.18345913220117 0.15521809411817 32.065 > 81 82 S 0.61034939798835 0.18345913220117 0.15521809411817 32.065 > 81 83 S 0.11034939798835 0.68345913220117 0.15521809411817 32.065 > 81 84 S 0.61034939798835 0.68345913220117 0.15521809411817 32.065 > 81 85 S 0.11034939798835 0.31654086779883 0.34478190588183 32.065 > 85 86 S 0.61034939798835 0.31654086779883 0.34478190588183 32.065 > 85 87 S 0.11034939798835 0.81654086779883 0.34478190588183 32.065 > 85 88 S 0.61034939798835 0.81654086779883 0.34478190588183 32.065 > 85 89 S 0.38965060201165 0.18345913220117 0.34478190588183 32.065 > 89 90 S 0.88965060201165 0.18345913220117 0.34478190588183 32.065 > 89 91 S 0.38965060201165 0.68345913220117 0.34478190588183 32.065 > 89 92 S 0.88965060201165 0.68345913220117 0.34478190588183 32.065 > 89 93 S 0.38965060201165 0.31654086779883 0.15521809411817 32.065 > 93 94 S 0.88965060201165 0.31654086779883 0.15521809411817 32.065 > 93 95 S 0.38965060201165 0.81654086779883 0.15521809411817 32.065 > 93 96 S 0.88965060201165 0.81654086779883 0.15521809411817 32.065 > 93 97 S 0.38965060201165 0.31654086779883 0.84478190588183 32.065 > 97 98 S 0.88965060201165 0.31654086779883 0.84478190588183 32.065 > 97 99 S 0.38965060201165 0.81654086779883 0.84478190588183 32.065 > 97 100 S 0.88965060201165 0.81654086779883 0.84478190588183 32.065 > 97 101 S 0.38965060201165 0.18345913220117 0.65521809411817 32.065 > 101 102 S 0.88965060201165 0.18345913220117 0.65521809411817 32.065 > 101 103 S 0.38965060201165 0.68345913220117 0.65521809411817 32.065 > 101 104 S 0.88965060201165 0.68345913220117 0.65521809411817 32.065 > 101 105 S 0.11034939798835 0.31654086779883 0.65521809411817 32.065 > 105 106 S 0.61034939798835 0.31654086779883 0.65521809411817 32.065 > 105 107 S 0.11034939798835 0.81654086779883 0.65521809411817 32.065 > 105 108 S 0.61034939798835 0.81654086779883 0.65521809411817 32.065 > 105 109 S 0.11034939798835 0.18345913220117 0.84478190588183 32.065 > 109 110 S 0.61034939798835 0.18345913220117 0.84478190588183 32.065 > 109 111 S 0.11034939798835 0.68345913220117 0.84478190588183 32.065 > 109 112 S 0.61034939798835 0.68345913220117 0.84478190588183 32.065 > 109 113 S 0.36034939798835 0.43345913220117 0.65521809411817 32.065 > 81 114 S 0.86034939798835 0.43345913220117 0.65521809411817 32.065 > 81 115 S 0.36034939798835 0.93345913220117 0.65521809411817 32.065 > 81 116 S 0.86034939798835 0.93345913220117 0.65521809411817 32.065 > 81 117 S 0.36034939798835 0.06654086779883 0.84478190588183 32.065 > 85 118 S 0.86034939798835 0.06654086779883 0.84478190588183 32.065 > 85 119 S 0.36034939798835 0.56654086779883 0.84478190588183 32.065 > 85 120 S 0.86034939798835 0.56654086779883 0.84478190588183 32.065 > 85 121 S 0.13965060201165 0.43345913220117 0.84478190588183 32.065 > 89 122 S 0.63965060201165 0.43345913220117 0.84478190588183 32.065 > 89 123 S 0.13965060201165 0.93345913220117 0.84478190588183 32.065 > 89 124 S 0.63965060201165 0.93345913220117 0.84478190588183 32.065 > 89 125 S 0.13965060201165 0.06654086779883 0.65521809411817 32.065 > 93 126 S 0.63965060201165 0.06654086779883 0.65521809411817 32.065 > 93 127 S 0.13965060201165 0.56654086779883 0.65521809411817 32.065 > 93 128 S 0.63965060201165 0.56654086779883 0.65521809411817 32.065 > 93 129 S 0.13965060201165 0.06654086779883 0.34478190588183 32.065 > 97 130 S 0.63965060201165 0.06654086779883 0.34478190588183 32.065 > 97 131 S 0.13965060201165 0.56654086779883 0.34478190588183 32.065 > 97 132 S 0.63965060201165 0.56654086779883 0.34478190588183 32.065 > 97 133 S 0.13965060201165 0.43345913220117 0.15521809411817 32.065 > 101 134 S 0.63965060201165 0.43345913220117 0.15521809411817 32.065 > 101 135 S 0.13965060201165 0.93345913220117 0.15521809411817 32.065 > 101 136 S 0.63965060201165 0.93345913220117 0.15521809411817 32.065 > 101 137 S 0.36034939798835 0.06654086779883 0.15521809411817 32.065 > 105 138 S 0.86034939798835 0.06654086779883 0.15521809411817 32.065 > 105 139 S 0.36034939798835 0.56654086779883 0.15521809411817 32.065 > 105 140 S 0.86034939798835 0.56654086779883 0.15521809411817 32.065 > 105 141 S 0.36034939798835 0.43345913220117 0.34478190588183 32.065 > 109 142 S 0.86034939798835 0.43345913220117 0.34478190588183 32.065 > 109 143 S 0.36034939798835 0.93345913220117 0.34478190588183 32.065 > 109 144 S 0.86034939798835 0.93345913220117 0.34478190588183 32.065 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.2351426 0.0000000 0.0000000 0.0000000 5.0856504 0.0000000 0.0000000 0.0000000 4.4862027 -------------------------- Born effective charges -------------------------- 1 Cs 1.2934538 -0.1128613 0.0000000 -0.0218426 1.3048613 0.0000000 0.0000000 0.0000000 1.7476712 2 Cs 1.2934538 0.1128613 0.0000000 0.0218426 1.3048613 0.0000000 0.0000000 0.0000000 1.7476712 3 Cs 1.2934538 0.1128613 0.0000000 0.0218426 1.3048613 0.0000000 0.0000000 0.0000000 1.7476712 4 Cs 1.2934538 -0.1128613 0.0000000 -0.0218426 1.3048613 0.0000000 0.0000000 0.0000000 1.7476712 5 Zn 1.6836040 0.0000000 0.0000000 0.0000000 2.6789941 0.0000000 0.0000000 0.0000000 1.0839967 6 Zn 1.6836040 0.0000000 0.0000000 0.0000000 2.6789941 0.0000000 0.0000000 0.0000000 1.0839967 7 Zn 2.3465409 0.0000000 0.4183053 0.0000000 1.7319665 0.0000000 0.1098206 0.0000000 1.1449029 8 Zn 2.3465409 0.0000000 -0.4183053 0.0000000 1.7319665 0.0000000 -0.1098206 0.0000000 1.1449029 9 Zn 2.3465409 0.0000000 0.4183053 0.0000000 1.7319665 0.0000000 0.1098206 0.0000000 1.1449029 10 Zn 2.3465409 0.0000000 -0.4183053 0.0000000 1.7319665 0.0000000 -0.1098206 0.0000000 1.1449029 11 S -2.2408984 0.2569141 0.1013713 0.3457720 -2.1881625 0.2534752 0.1709021 0.2020005 -1.7172862 12 S -2.2408984 -0.2569141 -0.1013713 -0.3457720 -2.1881625 0.2534752 -0.1709021 0.2020005 -1.7172862 13 S -2.2408984 -0.2569141 0.1013713 -0.3457720 -2.1881625 -0.2534752 0.1709021 -0.2020005 -1.7172862 14 S -2.2408984 0.2569141 -0.1013713 0.3457720 -2.1881625 -0.2534752 -0.1709021 -0.2020005 -1.7172862 15 S -2.2408984 0.2569141 0.1013713 0.3457720 -2.1881625 0.2534752 0.1709021 0.2020005 -1.7172862 16 S -2.2408984 -0.2569141 -0.1013713 -0.3457720 -2.1881625 0.2534752 -0.1709021 0.2020005 -1.7172862 17 S -2.2408984 -0.2569141 0.1013713 -0.3457720 -2.1881625 -0.2534752 0.1709021 -0.2020005 -1.7172862 18 S -2.2408984 0.2569141 -0.1013713 0.3457720 -2.1881625 -0.2534752 -0.1709021 -0.2020005 -1.7172862 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... Generalized regular grid: [ 1 4 72 ] Grid generation matrix: [ 0 9 9 ] [ 4 0 4 ] [ 4 4 0 ] 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: 0.54, Number of G-points: 291, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/65) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.393 ( 0.000 0.000 0.000) 0.000 1.405 ( 0.000 0.000 0.000) 0.000 1.421 ( 0.000 0.000 0.000) 0.000 1.586 ( 0.000 0.000 0.000) 0.000 1.594 ( 0.000 0.000 0.000) 0.000 1.649 ( 0.000 0.000 0.000) 0.000 1.735 ( 0.000 0.000 0.000) 0.000 1.794 ( 0.000 0.000 0.000) 0.000 1.979 ( 0.000 0.000 0.000) 0.000 2.052 ( 0.000 0.000 0.000) 0.000 2.110 ( 0.000 0.000 0.000) 0.000 2.311 ( 0.000 0.000 0.000) 0.000 2.464 ( 0.000 0.000 0.000) 0.000 2.574 ( 0.000 0.000 0.000) 0.000 2.624 ( 0.000 0.000 0.000) 0.000 2.808 ( 0.000 0.000 0.000) 0.000 2.920 ( 0.000 0.000 0.000) 0.000 2.930 ( 0.000 0.000 0.000) 0.000 2.954 ( 0.000 0.000 0.000) 0.000 2.981 ( 0.000 0.000 0.000) 0.000 2.982 ( 0.000 0.000 0.000) 0.000 3.196 ( 0.000 0.000 0.000) 0.000 3.484 ( 0.000 0.000 0.000) 0.000 3.733 ( 0.000 0.000 0.000) 0.000 4.529 ( 0.000 0.000 0.000) 0.000 4.571 ( 0.000 0.000 0.000) 0.000 4.620 ( 0.000 0.000 0.000) 0.000 5.648 ( 0.000 0.000 0.000) 0.000 5.760 ( 0.000 0.000 0.000) 0.000 5.934 ( 0.000 0.000 0.000) 0.000 5.984 ( 0.000 0.000 0.000) 0.000 6.003 ( 0.000 0.000 0.000) 0.000 6.257 ( 0.000 0.000 0.000) 0.000 6.546 ( 0.000 0.000 0.000) 0.000 6.691 ( 0.000 0.000 0.000) 0.000 7.596 ( 0.000 0.000 0.000) 0.000 7.822 ( 0.000 0.000 0.000) 0.000 7.825 ( 0.000 0.000 0.000) 0.000 7.943 ( 0.000 0.000 0.000) 0.000 7.946 ( 0.000 0.000 0.000) 0.000 8.081 ( 0.000 0.000 0.000) 0.000 8.264 ( 0.000 0.000 0.000) 0.000 8.346 ( 0.000 0.000 0.000) 0.000 8.396 ( 0.000 0.000 0.000) 0.000 8.975 ( 0.000 0.000 0.000) 0.000 8.988 ( 0.000 0.000 0.000) 0.000 9.150 ( 0.000 0.000 0.000) 0.000 9.157 ( 0.000 0.000 0.000) 0.000 9.186 ( 0.000 0.000 0.000) 0.000 9.242 ( 0.000 0.000 0.000) 0.000 9.895 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/65) ======================= q-point: ( 0.00 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.523 ( 0.000 14.822 -9.102) 17.394 0.616 ( 0.000 17.471 -10.304) 20.283 0.998 ( 0.000 25.371 -18.836) 31.599 1.313 ( -0.000 -7.008 4.492) 8.325 1.402 ( -0.000 -0.669 -0.402) 0.781 1.442 ( -0.000 -0.169 -0.859) 0.875 1.497 ( -0.000 -5.323 1.614) 5.562 1.575 ( -0.000 1.704 -7.834) 8.017 1.723 ( 0.000 3.738 0.812) 3.825 1.780 ( 0.000 3.862 1.671) 4.208 1.880 ( 0.000 4.457 0.382) 4.473 2.034 ( 0.000 3.421 5.318) 6.323 2.061 ( 0.000 0.495 -0.223) 0.543 2.067 ( -0.000 -2.624 1.673) 3.112 2.160 ( -0.000 -10.339 -3.363) 10.872 2.427 ( -0.000 -7.416 3.227) 8.088 2.575 ( -0.000 -14.487 -8.030) 16.563 2.667 ( -0.000 -13.355 2.293) 13.551 2.698 ( 0.000 4.068 2.060) 4.560 2.863 ( 0.000 0.044 -0.067) 0.080 2.912 ( -0.000 -0.174 0.407) 0.442 2.937 ( -0.000 -1.903 0.026) 1.903 3.012 ( 0.000 2.974 0.161) 2.979 3.102 ( 0.000 7.250 -1.669) 7.440 3.167 ( -0.000 -2.360 0.131) 2.363 3.436 ( -0.000 -3.974 0.281) 3.984 3.940 ( 0.000 14.173 -0.183) 14.174 4.459 ( -0.000 -6.432 0.650) 6.464 4.567 ( 0.000 0.365 0.358) 0.511 4.609 ( -0.000 -1.470 -0.599) 1.587 5.655 ( 0.000 1.238 0.733) 1.439 5.725 ( -0.000 -2.863 -0.486) 2.904 6.001 ( 0.000 0.953 -0.034) 0.954 6.013 ( 0.000 0.737 0.278) 0.787 6.285 ( -0.000 0.422 -2.340) 2.378 6.425 ( 0.000 7.606 13.091) 15.140 6.591 ( 0.000 5.021 2.731) 5.715 6.681 ( -0.000 -1.623 -0.832) 1.824 7.633 ( 0.000 1.517 -1.756) 2.321 7.775 ( -0.000 -1.786 1.545) 2.362 7.871 ( 0.000 2.323 5.236) 5.728 7.906 ( -0.000 -5.884 -2.720) 6.482 8.149 ( 0.000 5.988 0.876) 6.052 8.286 ( -0.000 -0.306 -1.538) 1.568 8.369 ( 0.000 1.468 -0.380) 1.517 8.435 ( 0.000 3.380 5.910) 6.808 8.473 ( 0.000 6.428 0.396) 6.440 8.841 ( -0.000 -12.151 -3.099) 12.540 9.154 ( -0.000 -2.146 -2.619) 3.386 9.159 ( 0.000 0.853 0.164) 0.869 9.197 ( -0.000 -0.654 -1.441) 1.583 9.235 ( 0.000 5.340 8.266) 9.841 9.644 ( 0.000 3.120 -2.592) 4.056 9.857 ( -0.000 -2.012 1.512) 2.516 ======================= Grid point 2 (3/65) ======================= q-point: ( 0.00 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( -0.000 -8.991 5.072) 10.323 0.953 ( 0.000 8.991 -5.072) 10.323 1.166 ( -0.000 -10.000 5.733) 11.527 1.166 ( 0.000 10.000 -5.733) 11.527 1.429 ( -0.000 -1.346 0.674) 1.505 1.429 ( 0.000 1.346 -0.674) 1.505 1.730 ( 0.000 4.663 -4.014) 6.153 1.730 ( -0.000 -4.663 4.014) 6.153 1.801 ( -0.000 -1.640 0.229) 1.656 1.801 ( 0.000 1.640 -0.229) 1.656 1.933 ( -0.000 -5.492 -2.846) 6.186 1.933 ( 0.000 5.492 2.846) 6.186 2.003 ( -0.000 -6.190 -1.614) 6.397 2.003 ( 0.000 6.190 1.614) 6.397 2.145 ( -0.000 -5.338 0.588) 5.370 2.145 ( 0.000 5.338 -0.588) 5.370 2.459 ( -0.000 -0.975 -1.757) 2.010 2.459 ( 0.000 0.975 1.757) 2.010 2.792 ( -0.000 -5.992 -1.390) 6.151 2.792 ( 0.000 5.992 1.390) 6.151 2.911 ( 0.000 0.333 -0.244) 0.413 2.911 ( -0.000 -0.333 0.244) 0.413 3.089 ( -0.000 -3.806 0.087) 3.807 3.089 ( 0.000 3.806 -0.087) 3.807 3.300 ( -0.000 -7.372 0.598) 7.396 3.300 ( 0.000 7.372 -0.598) 7.396 4.245 ( -0.000 -11.811 0.264) 11.814 4.245 ( 0.000 11.811 -0.264) 11.814 4.583 ( -0.000 -1.646 -0.552) 1.736 4.583 ( 0.000 1.646 0.552) 1.736 5.679 ( -0.000 -2.339 -0.967) 2.531 5.679 ( 0.000 2.339 0.967) 2.531 6.015 ( 0.000 0.105 -0.231) 0.254 6.015 ( -0.000 -0.105 0.231) 0.254 6.351 ( -0.000 -1.041 -5.398) 5.497 6.351 ( 0.000 1.041 5.398) 5.497 6.647 ( -0.000 -3.343 -1.505) 3.666 6.647 ( 0.000 3.343 1.505) 3.666 7.706 ( 0.000 1.806 -1.773) 2.531 7.706 ( -0.000 -1.806 1.773) 2.531 7.848 ( -0.000 -3.754 -3.751) 5.307 7.848 ( 0.000 3.754 3.751) 5.307 8.257 ( -0.000 -3.721 -0.047) 3.721 8.257 ( 0.000 3.721 0.047) 3.721 8.407 ( -0.000 -0.489 -2.225) 2.278 8.407 ( 0.000 0.489 2.225) 2.278 8.636 ( -0.000 -11.135 -3.502) 11.673 8.636 ( 0.000 11.135 3.502) 11.673 9.165 ( -0.000 -2.383 -3.745) 4.439 9.165 ( 0.000 2.383 3.745) 4.439 9.203 ( -0.000 -2.622 -3.770) 4.592 9.203 ( 0.000 2.622 3.770) 4.592 9.763 ( 0.000 2.947 -2.487) 3.857 9.763 ( -0.000 -2.947 2.487) 3.857 ======================= Grid point 5 (4/65) ======================= q-point: ( 0.01 0.24 -0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( 14.989 0.000 6.955) 16.523 0.937 ( 18.131 0.000 7.437) 19.597 1.336 ( 12.233 0.000 5.233) 13.306 1.357 ( 7.978 0.000 4.945) 9.387 1.403 ( -4.575 -0.000 -0.447) 4.597 1.428 ( -0.158 -0.000 1.035) 1.047 1.470 ( 0.839 0.000 2.152) 2.310 1.472 ( -5.343 -0.000 0.610) 5.377 1.720 ( 1.230 0.000 2.226) 2.544 1.750 ( 2.187 0.000 2.918) 3.647 2.000 ( 1.928 0.000 -0.050) 1.929 2.027 ( 1.142 0.000 -2.051) 2.348 2.054 ( 6.779 0.000 -3.088) 7.449 2.110 ( 3.175 0.000 -2.472) 4.024 2.369 ( -1.298 -0.000 1.751) 2.180 2.478 ( -8.822 -0.000 -0.387) 8.830 2.487 ( 2.296 0.000 1.325) 2.651 2.720 ( 5.445 0.000 -3.802) 6.641 2.738 ( 5.325 0.000 -4.049) 6.689 2.830 ( -3.733 -0.000 -0.734) 3.804 2.865 ( -2.002 -0.000 1.209) 2.339 2.875 ( -5.006 -0.000 -0.175) 5.010 2.959 ( -7.391 -0.000 -0.222) 7.394 2.993 ( -1.411 -0.000 1.309) 1.924 3.343 ( 8.990 0.000 -0.073) 8.991 3.613 ( 4.076 0.000 -0.391) 4.095 3.871 ( 5.661 0.000 1.593) 5.881 4.129 ( -17.750 -0.000 -0.259) 17.751 4.354 ( -13.225 -0.000 0.270) 13.228 4.456 ( -5.443 -0.000 -0.355) 5.455 5.713 ( 3.692 0.000 -0.531) 3.730 5.848 ( 2.977 0.000 -0.030) 2.977 5.999 ( 2.950 0.000 -0.243) 2.960 6.015 ( 1.235 0.000 0.205) 1.251 6.297 ( 0.522 0.000 0.033) 0.523 6.357 ( -4.369 -0.000 -0.667) 4.419 6.615 ( -1.398 -0.000 0.866) 1.645 6.729 ( 4.200 0.000 -5.189) 6.676 7.645 ( -0.778 -0.000 -2.748) 2.856 7.756 ( -6.649 -0.000 0.856) 6.704 7.760 ( 1.180 0.000 3.508) 3.701 7.866 ( -7.583 -0.000 -2.115) 7.872 7.905 ( -1.426 -0.000 2.971) 3.295 8.169 ( 10.932 0.000 -1.345) 11.015 8.312 ( -0.427 -0.000 -2.303) 2.343 8.612 ( 7.252 0.000 3.092) 7.884 8.841 ( -2.734 -0.000 -0.770) 2.840 8.869 ( -4.882 -0.000 0.388) 4.897 8.995 ( 0.159 0.000 -0.745) 0.761 9.010 ( -4.542 -0.000 -1.898) 4.922 9.181 ( -2.281 -0.000 2.895) 3.686 9.562 ( 4.420 0.000 0.285) 4.429 9.673 ( 4.826 0.000 -6.971) 8.479 9.687 ( -7.677 -0.000 0.163) 7.679 ======================= Grid point 6 (5/65) ======================= q-point: ( 0.01 -0.01 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( 14.739 12.063 0.000) 19.046 0.838 ( 16.818 2.781 0.000) 17.046 1.331 ( -4.039 -3.479 -0.000) 5.331 1.344 ( -1.388 0.806 -0.000) 1.606 1.432 ( 1.002 1.283 0.000) 1.628 1.457 ( 2.161 0.728 0.000) 2.280 1.469 ( 10.773 6.391 0.000) 12.526 1.535 ( 5.645 6.494 0.000) 8.605 1.607 ( -2.888 1.412 -0.000) 3.215 1.786 ( -2.076 -0.605 -0.000) 2.162 1.933 ( 5.720 -2.337 0.000) 6.179 2.032 ( -0.893 0.473 -0.000) 1.010 2.096 ( 0.394 -15.767 -0.000) 15.772 2.104 ( 1.271 2.054 0.000) 2.415 2.274 ( 9.314 8.281 0.000) 12.463 2.375 ( -3.069 -1.427 -0.000) 3.385 2.630 ( -1.720 3.113 0.000) 3.557 2.652 ( 6.966 -6.575 0.000) 9.579 2.826 ( -1.673 -1.151 -0.000) 2.031 2.830 ( -0.183 1.237 0.000) 1.251 2.867 ( 0.367 1.471 0.000) 1.516 2.933 ( -0.787 -2.060 -0.000) 2.205 2.959 ( -6.134 0.099 -0.000) 6.134 3.063 ( -0.458 7.913 0.000) 7.926 3.195 ( 6.273 -7.041 0.000) 9.430 3.558 ( 2.772 -5.318 -0.000) 5.997 3.974 ( 1.609 7.861 0.000) 8.024 4.147 ( -15.342 0.900 -0.000) 15.369 4.337 ( -12.778 -1.061 -0.000) 12.821 4.426 ( -5.422 -2.669 -0.000) 6.044 5.734 ( 3.578 1.378 0.000) 3.834 5.812 ( 3.315 -2.837 0.000) 4.363 6.031 ( 0.999 1.244 0.000) 1.595 6.033 ( 1.884 2.038 0.000) 2.775 6.288 ( 0.465 -0.597 0.000) 0.756 6.378 ( -5.842 0.879 -0.000) 5.908 6.596 ( -0.991 -0.882 -0.000) 1.326 6.741 ( 1.661 -3.175 -0.000) 3.584 7.662 ( -4.954 -4.438 -0.000) 6.651 7.750 ( -2.682 0.234 -0.000) 2.692 7.762 ( -4.521 6.531 -0.000) 7.943 7.884 ( 3.259 1.155 0.000) 3.458 7.950 ( -8.540 3.505 -0.000) 9.231 8.138 ( 9.803 -3.077 0.000) 10.274 8.399 ( 0.430 5.140 0.000) 5.158 8.533 ( 3.354 -5.324 -0.000) 6.292 8.711 ( 0.791 -3.022 -0.000) 3.124 8.897 ( 3.097 -5.083 -0.000) 5.952 9.022 ( -5.122 5.495 -0.000) 7.512 9.102 ( -4.235 2.053 -0.000) 4.706 9.149 ( -2.207 0.585 -0.000) 2.283 9.552 ( 5.334 -0.511 0.000) 5.358 9.635 ( -7.589 -3.909 -0.000) 8.536 9.744 ( 1.821 -0.332 0.000) 1.851 ======================= Grid point 7 (6/65) ======================= q-point: ( 0.01 -0.26 0.49) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( 6.160 8.946 -3.478) 11.405 1.118 ( 9.505 11.354 -0.497) 14.816 1.234 ( 0.548 -2.393 4.732) 5.331 1.258 ( 3.327 -2.905 7.294) 8.527 1.451 ( 0.683 1.733 -0.406) 1.907 1.465 ( 2.386 0.152 0.154) 2.396 1.594 ( -3.382 4.949 -5.837) 8.367 1.691 ( -4.971 -5.118 1.563) 7.304 1.737 ( -3.147 4.485 -4.445) 7.055 1.818 ( 2.637 -5.595 -2.501) 6.671 1.849 ( 2.458 5.570 -1.861) 6.366 1.926 ( 2.961 2.053 2.419) 4.340 2.059 ( -0.193 1.121 -0.856) 1.424 2.114 ( 1.616 -1.152 1.219) 2.329 2.320 ( 4.057 3.119 0.898) 5.195 2.411 ( 7.272 -8.230 3.244) 11.452 2.552 ( 9.244 5.715 -2.581) 11.170 2.641 ( 7.620 -5.831 0.388) 9.603 2.760 ( -3.051 -2.195 -0.905) 3.866 2.813 ( -1.521 -1.126 1.354) 2.327 2.855 ( 1.311 -3.033 -1.417) 3.595 2.911 ( 1.538 2.880 0.989) 3.412 2.969 ( -2.214 -3.308 -0.247) 3.988 2.987 ( -0.555 3.442 0.587) 3.536 3.371 ( 0.390 10.076 -0.273) 10.087 3.380 ( 0.005 -10.218 0.095) 10.218 4.116 ( -7.800 3.181 -0.404) 8.433 4.135 ( -7.129 -2.641 0.397) 7.613 4.338 ( -8.808 1.381 -0.635) 8.938 4.366 ( -8.602 -1.332 0.558) 8.722 5.750 ( 3.564 -2.707 -0.493) 4.503 5.772 ( 3.415 2.367 0.468) 4.181 6.051 ( 0.929 0.018 -0.164) 0.944 6.059 ( 1.341 0.131 0.180) 1.360 6.285 ( -0.600 -1.351 -2.195) 2.647 6.380 ( -3.884 0.768 1.885) 4.385 6.586 ( 0.663 -0.770 -1.371) 1.707 6.660 ( 0.922 -1.271 1.884) 2.453 7.601 ( -4.337 -4.300 -4.435) 7.548 7.736 ( -4.428 -1.400 -0.569) 4.679 7.872 ( -4.130 3.943 2.168) 6.108 7.928 ( -1.100 3.430 3.995) 5.379 7.990 ( -0.415 2.026 -0.061) 2.069 8.059 ( 5.843 -2.178 1.540) 6.423 8.409 ( -0.667 -8.114 -3.901) 9.028 8.533 ( -1.845 8.428 2.067) 8.871 8.718 ( 5.490 1.360 -1.440) 5.837 8.786 ( 6.103 -2.940 1.643) 6.971 9.065 ( -3.804 -1.418 -1.346) 4.277 9.106 ( -4.518 -0.546 0.673) 4.601 9.239 ( 0.877 2.868 -3.491) 4.603 9.441 ( -1.572 -1.913 6.234) 6.708 9.621 ( -2.995 -1.516 -3.577) 4.905 9.719 ( 1.416 0.065 1.740) 2.245 ======================= Grid point 8 (7/65) ======================= q-point: ( 0.01 0.49 -0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( 8.010 -6.415 8.332) 13.219 1.061 ( 11.937 1.052 10.223) 15.752 1.278 ( -2.551 5.942 -1.743) 6.697 1.333 ( 4.076 6.002 0.303) 7.262 1.448 ( 1.473 -0.136 1.414) 2.047 1.484 ( 0.698 1.366 1.968) 2.496 1.538 ( -5.058 -4.275 0.629) 6.652 1.709 ( 3.260 -6.690 3.632) 8.280 1.739 ( -0.707 -0.178 2.603) 2.703 1.823 ( -1.305 1.404 3.477) 3.970 1.885 ( 7.973 1.415 -0.961) 8.154 2.027 ( 1.374 -2.385 -0.560) 2.809 2.076 ( 0.064 0.640 -0.574) 0.862 2.128 ( 0.545 10.352 -0.602) 10.384 2.150 ( 6.541 -5.175 -0.699) 8.370 2.466 ( 0.107 -3.605 1.008) 3.745 2.504 ( 6.343 5.350 -5.641) 10.034 2.629 ( 0.399 -2.169 -1.708) 2.789 2.740 ( 3.481 -4.796 -3.935) 7.114 2.806 ( -5.150 0.844 -1.320) 5.384 2.876 ( 0.439 1.281 0.928) 1.642 2.942 ( -3.116 0.364 0.331) 3.154 2.958 ( -3.589 0.510 0.113) 3.627 3.087 ( -0.137 -6.787 0.920) 6.850 3.187 ( 6.323 7.067 -0.233) 9.486 3.549 ( 2.841 5.044 -0.436) 5.805 4.006 ( 1.913 -6.812 1.153) 7.169 4.138 ( -15.474 -0.820 -0.381) 15.501 4.351 ( -12.464 0.683 0.580) 12.497 4.412 ( -5.613 2.823 -0.645) 6.316 5.716 ( 3.615 -1.375 -0.749) 3.939 5.819 ( 3.317 2.319 0.286) 4.057 6.028 ( 1.626 -2.147 -0.194) 2.700 6.038 ( 1.288 -1.237 0.272) 1.806 6.297 ( -1.230 -1.623 -2.229) 3.019 6.358 ( -1.687 0.621 1.576) 2.391 6.624 ( 1.270 0.506 -0.854) 1.612 6.630 ( 2.002 0.513 -1.575) 2.599 7.616 ( -2.219 -2.760 -4.849) 6.004 7.741 ( -5.808 -1.585 -3.888) 7.166 7.833 ( -1.116 0.721 6.179) 6.320 7.880 ( -5.563 0.757 3.909) 6.841 7.986 ( -1.071 -1.031 2.746) 3.122 8.092 ( 8.459 3.203 -2.017) 9.267 8.325 ( -0.429 -5.343 -3.465) 6.383 8.658 ( 2.382 4.329 4.062) 6.397 8.723 ( 0.545 2.590 0.523) 2.698 8.816 ( 4.663 3.417 -2.917) 6.476 9.027 ( -3.753 -4.213 -0.585) 5.672 9.065 ( -4.839 -2.875 -0.779) 5.682 9.252 ( 0.432 -1.835 2.801) 3.376 9.446 ( 0.794 5.394 -2.474) 5.987 9.638 ( -0.727 -2.630 -2.753) 3.877 9.692 ( -1.102 0.264 1.172) 1.631 ======================= Grid point 9 (8/65) ======================= q-point: ( 0.03 0.47 -0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( -0.714 -0.000 0.041) 0.715 1.276 ( -1.163 -0.000 0.459) 1.250 1.349 ( 9.196 0.000 1.702) 9.352 1.444 ( 1.765 0.000 -0.461) 1.825 1.459 ( -1.762 -0.000 -0.217) 1.775 1.459 ( -0.114 -0.000 3.344) 3.346 1.614 ( 3.774 0.000 3.369) 5.059 1.650 ( -1.128 -0.000 -3.489) 3.667 1.760 ( 0.217 -0.000 3.426) 3.433 1.810 ( -3.599 -0.000 -1.804) 4.025 2.028 ( 2.393 0.000 1.932) 3.076 2.062 ( -0.499 -0.000 0.819) 0.959 2.297 ( 1.109 0.000 -0.067) 1.111 2.330 ( 9.439 0.000 -2.121) 9.675 2.331 ( 1.454 0.000 0.426) 1.515 2.401 ( 0.621 0.000 1.441) 1.569 2.532 ( -7.113 -0.000 -3.317) 7.848 2.547 ( -9.475 -0.000 0.347) 9.482 2.734 ( 2.361 0.000 -4.843) 5.387 2.766 ( -0.870 -0.000 1.800) 1.999 2.920 ( 2.662 0.000 -1.557) 3.084 2.939 ( 11.246 0.000 1.888) 11.403 2.984 ( 4.053 0.000 1.205) 4.228 3.122 ( 18.436 0.000 0.781) 18.452 3.328 ( -20.879 -0.000 -0.658) 20.890 3.451 ( -11.083 -0.000 0.153) 11.084 3.717 ( 1.979 0.000 -0.689) 2.096 3.789 ( -8.363 -0.000 0.409) 8.373 4.128 ( 5.430 0.000 1.277) 5.578 4.231 ( -5.359 -0.000 -0.790) 5.417 5.855 ( 3.244 0.000 -0.885) 3.363 5.898 ( -1.087 -0.000 0.781) 1.339 6.091 ( 2.730 0.000 0.595) 2.794 6.154 ( -3.732 -0.000 -0.728) 3.802 6.159 ( 5.428 0.000 -0.295) 5.436 6.261 ( -4.830 -0.000 0.631) 4.871 6.690 ( 2.859 0.000 1.350) 3.162 6.731 ( -1.013 -0.000 -1.831) 2.093 7.563 ( 0.559 0.000 -4.151) 4.189 7.609 ( -2.141 -0.000 0.452) 2.188 7.657 ( -0.681 -0.000 0.417) 0.799 7.702 ( -3.436 -0.000 3.704) 5.053 8.090 ( 4.132 0.000 3.522) 5.429 8.163 ( -3.427 -0.000 -3.904) 5.195 8.550 ( 9.599 0.000 -2.737) 9.982 8.700 ( -5.637 -0.000 2.546) 6.186 8.820 ( 0.543 0.000 0.890) 1.043 8.828 ( 0.234 0.000 -0.645) 0.687 8.936 ( 1.285 0.000 1.939) 2.327 8.955 ( -0.881 -0.000 -2.233) 2.401 9.122 ( 0.979 0.000 1.865) 2.107 9.226 ( -8.669 -0.000 -1.437) 8.787 9.723 ( 3.072 0.000 -4.863) 5.752 9.755 ( -0.244 -0.000 3.530) 3.539 ======================= Grid point 10 (9/65) ======================= q-point: ( 0.03 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( 2.373 1.858 -0.440) 3.046 1.318 ( -2.066 1.914 0.401) 2.845 1.360 ( 7.912 2.540 0.556) 8.328 1.391 ( 1.936 -1.400 3.134) 3.941 1.398 ( 6.443 -3.536 1.303) 7.464 1.473 ( 0.855 0.525 -0.337) 1.058 1.535 ( 1.352 0.611 -1.749) 2.294 1.606 ( -5.081 -4.794 0.171) 6.988 1.756 ( 1.785 -1.892 1.723) 3.120 1.834 ( 2.338 3.592 -0.883) 4.376 1.953 ( -0.551 -3.110 0.162) 3.163 2.052 ( -1.822 -5.143 -1.601) 5.686 2.106 ( 0.889 -5.577 1.767) 5.917 2.191 ( 1.425 -2.882 -2.032) 3.804 2.382 ( 4.831 2.998 2.555) 6.234 2.619 ( -5.693 1.594 -0.840) 5.972 2.640 ( -0.387 4.606 0.982) 4.725 2.688 ( 0.364 5.062 0.770) 5.133 2.784 ( -5.009 11.536 -0.466) 12.585 2.823 ( 0.755 1.421 -3.278) 3.652 2.913 ( 1.775 1.379 2.541) 3.393 2.979 ( 3.753 1.672 -1.966) 4.555 3.013 ( 9.043 4.801 0.235) 10.241 3.087 ( 17.892 -1.473 0.435) 17.958 3.341 ( -16.896 -1.019 -0.433) 16.933 3.379 ( -5.098 -6.228 0.186) 8.050 3.688 ( -1.980 -3.032 -0.634) 3.677 3.715 ( -9.712 -4.911 0.341) 10.888 4.131 ( 3.048 1.774 0.801) 3.616 4.229 ( -3.926 -1.165 -0.519) 4.128 5.872 ( 2.770 0.300 -0.630) 2.857 5.878 ( -0.621 -0.587 0.516) 0.999 6.079 ( 1.849 -0.248 0.490) 1.929 6.131 ( 1.210 -1.579 -0.501) 2.052 6.193 ( -0.717 1.150 -0.438) 1.425 6.227 ( -3.614 -1.789 0.488) 4.062 6.671 ( 2.420 0.386 1.036) 2.660 6.752 ( -0.842 -0.717 -1.158) 1.601 7.511 ( -3.665 -2.843 3.649) 5.902 7.619 ( -1.210 0.683 -0.776) 1.591 7.666 ( -1.755 -0.223 -0.809) 1.945 7.719 ( 0.953 1.162 -2.936) 3.298 8.097 ( 3.828 5.071 2.650) 6.884 8.280 ( -2.425 3.948 -2.627) 5.326 8.538 ( 3.713 -4.835 -0.659) 6.132 8.556 ( 0.603 -5.128 0.531) 5.191 8.859 ( 2.884 1.521 1.124) 3.449 8.897 ( -1.770 5.204 0.552) 5.524 8.931 ( 0.021 2.171 0.078) 2.173 8.983 ( -0.697 -0.406 -1.042) 1.318 9.072 ( 0.948 -1.722 1.234) 2.321 9.217 ( -8.571 -2.874 -1.387) 9.146 9.689 ( -0.299 -0.504 2.803) 2.863 9.800 ( 1.350 -0.052 -3.063) 3.348 ======================= Grid point 11 (10/65) ======================= q-point: ( 0.03 -0.03 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( 5.159 -1.290 0.000) 5.318 1.350 ( -0.344 1.079 0.000) 1.132 1.359 ( 4.731 4.001 0.000) 6.196 1.412 ( -4.175 2.863 -0.000) 5.062 1.413 ( 2.426 1.994 0.000) 3.141 1.487 ( -5.517 -5.266 -0.000) 7.627 1.520 ( 1.151 1.732 0.000) 2.079 1.580 ( 1.329 0.503 0.000) 1.421 1.684 ( 3.892 -0.371 0.000) 3.910 1.913 ( 0.802 -1.957 -0.000) 2.115 1.921 ( -3.139 1.602 -0.000) 3.524 1.977 ( 2.005 4.210 0.000) 4.663 2.024 ( -1.001 -3.119 -0.000) 3.275 2.219 ( 1.310 -0.050 0.000) 1.311 2.400 ( 4.289 2.523 0.000) 4.976 2.527 ( -4.782 -2.297 -0.000) 5.305 2.670 ( 3.739 -5.153 0.000) 6.366 2.783 ( -2.677 3.504 -0.000) 4.410 2.865 ( 1.539 -2.161 0.000) 2.653 2.912 ( 5.760 0.124 0.000) 5.762 2.942 ( 4.781 -0.304 0.000) 4.791 3.036 ( 5.326 -0.330 0.000) 5.336 3.153 ( 3.827 -3.782 0.000) 5.380 3.160 ( 5.242 8.841 0.000) 10.278 3.236 ( -2.751 4.093 -0.000) 4.931 3.242 ( -4.347 -6.562 -0.000) 7.871 3.622 ( -10.180 -1.733 -0.000) 10.327 3.662 ( -11.109 1.100 -0.000) 11.163 4.165 ( -1.088 1.717 0.000) 2.033 4.205 ( -1.094 -1.385 -0.000) 1.765 5.855 ( 1.282 -0.977 0.000) 1.612 5.890 ( 1.445 0.740 0.000) 1.623 6.073 ( 0.405 0.582 0.000) 0.709 6.111 ( 0.993 -0.512 0.000) 1.117 6.188 ( -1.655 -1.084 -0.000) 1.978 6.224 ( -2.631 1.308 -0.000) 2.938 6.671 ( 1.660 0.525 0.000) 1.741 6.742 ( 1.070 -0.963 0.000) 1.439 7.426 ( -1.234 -0.987 -0.000) 1.580 7.610 ( -1.162 -0.788 -0.000) 1.403 7.709 ( -2.800 1.083 -0.000) 3.002 7.773 ( -1.734 1.078 -0.000) 2.042 8.173 ( 2.513 2.132 0.000) 3.296 8.340 ( 2.668 -2.313 0.000) 3.531 8.398 ( 0.838 -3.223 -0.000) 3.330 8.552 ( 1.283 2.859 0.000) 3.133 8.860 ( 1.951 0.250 0.000) 1.967 8.955 ( -0.076 -1.452 -0.000) 1.454 8.971 ( 2.328 -0.555 0.000) 2.393 8.989 ( -0.071 0.752 0.000) 0.756 9.057 ( -4.343 3.573 -0.000) 5.624 9.165 ( -7.528 -2.263 -0.000) 7.861 9.643 ( 1.523 -1.064 0.000) 1.858 9.826 ( 0.850 0.053 0.000) 0.852 ======================= Grid point 12 (11/65) ======================= q-point: ( 0.03 0.72 -0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( 2.219 -0.289 -0.130) 2.242 1.345 ( -4.190 -3.983 0.527) 5.805 1.398 ( 5.274 -0.329 1.491) 5.491 1.410 ( 0.531 2.017 -0.304) 2.107 1.458 ( -0.739 0.784 -0.064) 1.079 1.524 ( -0.444 2.898 2.079) 3.594 1.537 ( -2.778 2.267 -0.824) 3.680 1.568 ( -0.730 3.133 0.453) 3.249 1.740 ( 1.657 1.446 -2.051) 3.007 1.879 ( -2.227 -3.330 2.703) 4.833 1.981 ( 0.338 6.513 0.595) 6.548 2.029 ( -2.056 5.682 0.333) 6.052 2.106 ( 1.557 5.078 -1.029) 5.410 2.177 ( 2.184 1.803 1.617) 3.261 2.485 ( -0.547 -2.008 -2.250) 3.065 2.496 ( 2.381 -4.682 0.922) 5.333 2.580 ( 3.214 1.025 -4.623) 5.724 2.693 ( 1.975 -14.489 -0.835) 14.647 2.769 ( -5.296 -7.208 0.333) 8.951 2.810 ( 3.064 -4.584 0.931) 5.592 2.900 ( 3.461 0.206 -0.706) 3.538 3.006 ( 7.652 -1.933 1.556) 8.044 3.033 ( 1.896 -3.972 0.876) 4.488 3.112 ( 16.242 1.501 0.621) 16.323 3.324 ( -17.293 0.537 -0.328) 17.304 3.386 ( -5.853 6.281 0.155) 8.587 3.661 ( -1.281 3.349 -0.554) 3.628 3.732 ( -9.647 4.605 0.401) 10.697 4.167 ( 2.513 -1.349 0.743) 2.947 4.203 ( -4.334 1.160 -0.589) 4.525 5.844 ( 2.775 -0.392 -0.601) 2.866 5.902 ( -0.174 0.674 0.525) 0.872 6.102 ( 2.032 0.010 0.514) 2.096 6.109 ( 0.419 1.840 -0.443) 1.939 6.173 ( 0.147 -0.838 -0.418) 0.948 6.252 ( -4.515 1.556 0.584) 4.811 6.694 ( 0.430 0.426 -1.267) 1.404 6.716 ( 2.528 -0.475 0.871) 2.716 7.468 ( 0.583 1.212 -3.511) 3.760 7.602 ( 0.677 -1.611 -2.064) 2.704 7.690 ( -4.501 1.230 3.845) 6.046 7.766 ( -3.649 0.788 3.133) 4.874 8.151 ( -1.718 -4.417 -3.072) 5.648 8.216 ( 4.136 -4.974 2.583) 6.965 8.449 ( 7.109 3.790 -2.084) 8.322 8.639 ( -2.285 5.895 1.919) 6.607 8.856 ( 1.677 -2.503 -0.942) 3.157 8.914 ( -2.076 -2.200 -0.527) 3.070 8.925 ( 0.700 -2.685 -0.211) 2.783 8.973 ( 1.404 -0.690 0.810) 1.762 9.140 ( -2.443 1.173 1.857) 3.285 9.161 ( -7.314 3.505 -1.075) 8.181 9.651 ( 3.507 -0.871 -3.453) 4.999 9.807 ( 0.581 0.263 2.390) 2.474 ======================= Grid point 13 (12/65) ======================= q-point: ( 0.04 -0.29 -0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( -16.071 -0.000 -2.612) 16.282 1.255 ( -13.932 -0.000 -3.570) 14.383 1.312 ( 3.204 0.000 0.048) 3.204 1.331 ( 2.001 0.000 0.303) 2.024 1.393 ( 1.236 0.000 -3.157) 3.390 1.447 ( -1.261 -0.000 -0.533) 1.369 1.497 ( -2.013 -0.000 -1.588) 2.564 1.623 ( -7.592 -0.000 -2.981) 8.156 1.729 ( 0.745 0.000 -2.130) 2.257 1.806 ( -3.103 -0.000 -1.794) 3.585 1.990 ( 1.601 0.000 0.121) 1.605 2.025 ( -0.965 -0.000 -0.985) 1.378 2.208 ( -6.899 -0.000 2.303) 7.273 2.256 ( -7.058 -0.000 3.540) 7.896 2.342 ( 4.972 0.000 -0.001) 4.972 2.368 ( -3.559 -0.000 -2.429) 4.309 2.627 ( -10.069 -0.000 -0.436) 10.078 2.724 ( 6.114 0.000 2.539) 6.621 2.739 ( 7.911 0.000 0.782) 7.949 2.785 ( 2.785 0.000 -0.537) 2.837 2.806 ( -2.653 -0.000 2.889) 3.922 2.873 ( -2.025 -0.000 0.617) 2.117 2.878 ( -4.343 -0.000 1.106) 4.482 2.970 ( 1.182 0.000 -2.034) 2.352 3.477 ( -4.229 -0.000 -0.263) 4.238 3.682 ( -3.019 -0.000 0.493) 3.059 3.751 ( 20.929 0.000 0.381) 20.932 3.988 ( -6.255 -0.000 -1.409) 6.412 4.058 ( 16.723 0.000 -0.250) 16.725 4.347 ( 5.654 0.000 0.374) 5.667 5.793 ( -4.365 -0.000 0.561) 4.401 5.889 ( -1.006 -0.000 -0.271) 1.042 6.042 ( -1.606 -0.000 -0.307) 1.635 6.068 ( -4.297 -0.000 0.247) 4.304 6.249 ( 4.541 0.000 0.927) 4.635 6.310 ( 1.597 0.000 -0.977) 1.872 6.619 ( -1.718 -0.000 -0.935) 1.956 6.772 ( -0.620 -0.000 2.355) 2.436 7.649 ( -0.771 -0.000 2.444) 2.562 7.655 ( 3.840 0.000 -0.070) 3.841 7.686 ( 6.062 0.000 -3.301) 6.903 7.740 ( 5.271 0.000 1.186) 5.403 7.953 ( -4.361 -0.000 -2.254) 4.909 8.284 ( 2.327 0.000 2.751) 3.603 8.385 ( -11.298 -0.000 1.589) 11.409 8.716 ( -1.273 -0.000 -3.103) 3.354 8.790 ( -0.126 -0.000 -0.203) 0.239 8.812 ( 1.324 0.000 -0.478) 1.408 8.942 ( 2.684 0.000 1.254) 2.963 8.996 ( 0.146 0.000 1.121) 1.131 9.116 ( 3.450 0.000 -2.607) 4.324 9.453 ( 10.932 0.000 1.833) 11.084 9.678 ( -2.410 -0.000 -2.672) 3.598 9.754 ( -3.401 -0.000 5.120) 6.147 ======================= Grid point 14 (13/65) ======================= q-point: ( 0.04 -0.54 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( -10.707 4.496 -3.543) 12.141 1.252 ( -0.251 -2.096 0.718) 2.230 1.278 ( -9.598 -4.171 -5.879) 12.003 1.400 ( -0.667 0.964 -1.989) 2.309 1.438 ( 2.182 0.637 -0.192) 2.282 1.474 ( -0.584 0.342 -2.066) 2.174 1.501 ( -0.597 -0.836 -1.061) 1.477 1.684 ( 4.161 -3.625 1.646) 5.759 1.748 ( -1.269 0.642 -1.869) 2.349 1.820 ( -0.606 -0.360 -2.850) 2.936 1.983 ( -0.548 -3.566 1.459) 3.892 2.043 ( -1.905 -1.926 -0.623) 2.779 2.089 ( -1.754 -0.462 1.840) 2.584 2.124 ( 0.133 -9.324 -0.791) 9.358 2.314 ( -7.274 6.757 -1.236) 10.005 2.563 ( -6.634 7.517 0.239) 10.029 2.633 ( -4.286 0.670 4.690) 6.388 2.677 ( -4.756 1.508 -0.277) 4.997 2.718 ( 0.793 1.091 2.449) 2.796 2.794 ( -2.928 2.043 1.961) 4.073 2.844 ( 1.742 -0.244 -0.773) 1.921 2.898 ( -1.320 2.256 0.995) 2.797 2.936 ( 1.096 4.207 -1.454) 4.584 3.042 ( 2.942 8.097 -1.492) 8.743 3.335 ( -7.015 -11.839 -0.139) 13.761 3.564 ( 3.103 -7.588 0.241) 8.202 3.816 ( 15.321 4.202 0.868) 15.910 3.980 ( 10.069 -2.597 -0.913) 10.438 4.133 ( 4.246 4.416 -1.056) 6.216 4.307 ( 5.176 -2.593 0.651) 5.826 5.791 ( -3.924 1.024 0.795) 4.133 5.873 ( -2.061 -1.768 -0.429) 2.749 6.061 ( -1.245 0.847 -0.529) 1.596 6.070 ( -2.725 0.461 0.371) 2.788 6.240 ( 3.880 0.920 1.184) 4.160 6.311 ( 3.170 -1.724 -1.460) 3.893 6.643 ( -2.230 0.397 -1.338) 2.631 6.699 ( -2.786 -1.513 2.812) 4.238 7.574 ( 2.172 0.693 5.197) 5.675 7.661 ( 1.988 2.560 3.538) 4.798 7.710 ( 7.051 -2.790 -6.461) 9.963 7.786 ( 5.207 -0.949 -3.445) 6.315 8.057 ( -5.649 4.251 -2.983) 7.673 8.233 ( -2.862 -0.683 3.497) 4.570 8.350 ( -5.412 1.993 2.813) 6.417 8.633 ( 1.663 -7.745 -2.420) 8.283 8.807 ( -4.441 1.621 -1.129) 4.860 8.885 ( -2.798 -1.029 1.513) 3.343 8.952 ( 3.050 4.458 -0.453) 5.421 8.998 ( 2.492 1.701 1.336) 3.300 9.186 ( 5.787 1.127 -4.157) 7.214 9.358 ( 8.547 -4.553 2.838) 10.091 9.664 ( -3.594 1.710 5.502) 6.791 9.726 ( -2.284 -0.690 -3.255) 4.035 ======================= Grid point 15 (14/65) ======================= q-point: ( 0.04 0.21 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( -6.423 -2.294 2.023) 7.114 1.264 ( -3.423 -1.228 -1.821) 4.067 1.305 ( -8.544 -7.020 0.003) 11.058 1.340 ( -3.934 0.908 -2.111) 4.556 1.458 ( -0.217 -1.302 0.177) 1.332 1.508 ( 0.429 -2.338 -1.187) 2.657 1.530 ( 0.900 -2.818 0.844) 3.077 1.585 ( 5.667 5.748 -1.578) 8.224 1.692 ( 0.627 -2.673 5.829) 6.443 1.867 ( -1.337 3.415 -0.755) 3.744 1.904 ( -3.695 -3.911 0.662) 5.421 1.974 ( -0.877 1.552 -2.503) 3.073 2.045 ( 1.129 -0.766 1.528) 2.048 2.139 ( -1.485 0.463 -2.986) 3.367 2.391 ( -3.510 -3.819 4.484) 6.856 2.548 ( -6.160 7.477 -2.852) 10.098 2.644 ( 3.305 -0.039 2.551) 4.175 2.724 ( -7.400 1.613 -0.255) 7.578 2.817 ( -1.676 -1.539 -1.284) 2.613 2.822 ( -3.507 -0.697 -0.577) 3.621 2.890 ( -2.129 1.730 1.404) 3.081 2.935 ( -3.334 -4.850 -0.832) 5.944 2.998 ( -6.711 13.444 0.350) 15.030 3.028 ( -4.652 -9.423 -0.900) 10.547 3.337 ( 4.032 -12.042 0.109) 12.700 3.342 ( 3.997 11.952 -0.084) 12.603 3.891 ( 14.536 3.814 0.708) 15.045 3.923 ( 14.129 -3.684 -0.674) 14.617 4.216 ( 3.894 -4.249 0.612) 5.796 4.244 ( 3.908 3.838 -0.606) 5.511 5.816 ( -3.082 2.264 0.474) 3.853 5.838 ( -3.201 -1.911 -0.481) 3.759 6.066 ( -0.694 -0.285 0.381) 0.841 6.083 ( -1.220 0.124 -0.380) 1.284 6.246 ( 3.048 1.533 1.051) 3.570 6.293 ( 4.672 -1.791 -1.017) 5.106 6.631 ( -3.274 -0.768 1.414) 3.648 6.695 ( -2.322 2.000 -1.384) 3.362 7.517 ( 3.893 2.793 4.444) 6.535 7.665 ( 2.886 1.546 1.034) 3.434 7.762 ( 6.095 -3.243 -3.473) 7.729 7.805 ( 5.326 -2.029 -4.017) 6.973 8.109 ( -6.662 -4.420 2.581) 8.401 8.212 ( -7.685 4.440 -2.239) 9.153 8.407 ( -0.385 7.108 2.826) 7.659 8.513 ( 0.187 -6.455 -2.091) 6.788 8.814 ( -4.300 -0.973 1.607) 4.692 8.885 ( -4.123 1.273 -1.747) 4.655 8.997 ( 2.807 0.497 1.030) 3.031 9.026 ( 3.398 0.860 -0.409) 3.529 9.185 ( 5.563 -5.136 2.689) 8.035 9.319 ( 9.353 3.658 -3.438) 10.615 9.628 ( -2.630 2.220 3.528) 4.929 9.767 ( -2.541 -0.534 -2.775) 3.800 ======================= Grid point 16 (15/65) ======================= q-point: ( 0.04 -0.04 -0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( -14.652 -7.788 -0.000) 16.594 1.142 ( -13.934 3.071 -0.000) 14.268 1.273 ( 1.380 1.073 0.000) 1.748 1.335 ( -0.479 0.080 -0.000) 0.486 1.427 ( 5.285 -3.762 0.000) 6.487 1.453 ( -1.141 -1.116 -0.000) 1.596 1.508 ( -2.846 -1.577 -0.000) 3.254 1.636 ( -3.249 4.003 -0.000) 5.156 1.708 ( -1.814 -1.942 -0.000) 2.657 1.754 ( -2.706 -1.785 -0.000) 3.242 1.993 ( 1.580 -0.198 0.000) 1.593 2.046 ( -2.786 0.307 -0.000) 2.803 2.100 ( 0.597 13.356 0.000) 13.369 2.153 ( -4.051 -0.043 -0.000) 4.051 2.323 ( 1.139 -0.437 0.000) 1.220 2.526 ( -14.089 -11.907 -0.000) 18.446 2.638 ( -1.272 1.207 -0.000) 1.754 2.758 ( 1.364 0.289 0.000) 1.394 2.793 ( -5.310 4.431 -0.000) 6.916 2.794 ( 0.060 -2.070 -0.000) 2.071 2.844 ( 2.125 -0.990 0.000) 2.345 2.904 ( 2.576 -2.144 0.000) 3.351 2.949 ( -3.418 -2.433 -0.000) 4.196 3.005 ( 4.164 -12.131 -0.000) 12.826 3.332 ( -6.490 11.295 0.000) 13.027 3.569 ( 3.393 7.940 0.000) 8.635 3.838 ( 14.536 -4.471 0.000) 15.208 3.955 ( 8.525 2.197 0.000) 8.804 4.109 ( 5.362 -4.276 0.000) 6.858 4.321 ( 5.160 2.444 0.000) 5.709 5.810 ( -4.052 -1.015 -0.000) 4.177 5.863 ( -1.726 1.937 -0.000) 2.594 6.049 ( -0.946 -0.747 -0.000) 1.206 6.079 ( -2.953 -0.578 -0.000) 3.009 6.270 ( 5.135 -1.032 0.000) 5.238 6.276 ( 1.830 1.855 0.000) 2.606 6.611 ( -2.248 -0.101 -0.000) 2.250 6.765 ( -0.716 2.379 0.000) 2.485 7.558 ( 4.997 4.453 0.000) 6.693 7.677 ( 4.076 0.039 0.000) 4.076 7.708 ( 1.418 -2.985 -0.000) 3.305 7.802 ( 6.031 -2.488 0.000) 6.524 7.982 ( -5.417 -4.048 -0.000) 6.762 8.306 ( -4.600 1.679 -0.000) 4.897 8.423 ( -4.567 -3.042 -0.000) 5.487 8.556 ( 0.318 8.170 0.000) 8.176 8.773 ( -4.403 -0.947 -0.000) 4.504 8.935 ( -0.801 1.412 0.000) 1.623 8.939 ( 3.314 -5.675 -0.000) 6.572 9.026 ( 3.147 -1.027 0.000) 3.311 9.088 ( 3.384 -0.382 0.000) 3.405 9.435 ( 11.410 3.143 0.000) 11.835 9.635 ( -3.005 1.350 -0.000) 3.294 9.797 ( -2.445 0.421 -0.000) 2.481 ======================= Grid point 17 (16/65) ======================= q-point: ( 0.06 -0.06 -0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.326 ( -17.255 -0.000 -0.000) 17.255 0.448 ( -22.705 -0.000 -0.000) 22.705 0.672 ( -33.509 -0.000 -0.000) 33.509 1.379 ( 2.322 0.000 0.000) 2.322 1.398 ( -0.539 -0.000 -0.000) 0.539 1.429 ( -0.712 -0.000 -0.000) 0.712 1.528 ( 5.534 0.000 0.000) 5.534 1.576 ( 3.685 0.000 0.000) 3.685 1.671 ( -1.469 -0.000 -0.000) 1.469 1.710 ( 1.211 0.000 0.000) 1.211 1.971 ( -3.500 -0.000 -0.000) 3.500 1.981 ( -0.574 -0.000 -0.000) 0.574 2.080 ( -2.299 -0.000 -0.000) 2.299 2.091 ( 1.791 0.000 0.000) 1.791 2.329 ( -1.797 -0.000 -0.000) 1.797 2.449 ( 1.101 0.000 0.000) 1.101 2.641 ( -5.349 -0.000 -0.000) 5.349 2.670 ( -4.463 -0.000 -0.000) 4.463 2.672 ( 10.151 0.000 0.000) 10.151 2.882 ( 1.930 0.000 0.000) 1.930 2.904 ( 1.668 0.000 0.000) 1.668 2.937 ( 1.783 0.000 0.000) 1.783 2.987 ( -0.156 -0.000 -0.000) 0.156 3.117 ( 6.996 0.000 0.000) 6.996 3.152 ( -10.597 -0.000 -0.000) 10.597 3.534 ( -4.137 -0.000 -0.000) 4.137 3.765 ( -3.322 -0.000 -0.000) 3.322 4.415 ( 10.925 0.000 0.000) 10.925 4.545 ( 3.121 0.000 0.000) 3.121 4.551 ( 7.122 0.000 0.000) 7.122 5.665 ( -1.785 -0.000 -0.000) 1.785 5.789 ( -2.782 -0.000 -0.000) 2.782 5.954 ( -1.894 -0.000 -0.000) 1.894 5.993 ( -0.855 -0.000 -0.000) 0.855 6.268 ( -1.097 -0.000 -0.000) 1.097 6.481 ( 5.460 0.000 0.000) 5.460 6.656 ( 3.042 0.000 0.000) 3.042 6.745 ( -2.617 -0.000 -0.000) 2.617 7.649 ( -4.747 -0.000 -0.000) 4.747 7.721 ( 3.845 0.000 0.000) 3.845 7.864 ( 6.641 0.000 0.000) 6.641 7.921 ( 2.522 0.000 0.000) 2.522 7.982 ( -9.481 -0.000 -0.000) 9.481 8.054 ( 7.327 0.000 0.000) 7.327 8.310 ( -2.569 -0.000 -0.000) 2.569 8.430 ( -7.169 -0.000 -0.000) 7.169 8.933 ( 3.890 0.000 0.000) 3.890 8.993 ( -0.436 -0.000 -0.000) 0.436 9.000 ( 8.787 0.000 0.000) 8.787 9.113 ( 3.462 0.000 0.000) 3.462 9.181 ( 0.809 0.000 0.000) 0.809 9.403 ( -9.350 -0.000 -0.000) 9.350 9.686 ( -2.968 -0.000 -0.000) 2.968 9.840 ( 5.653 0.000 0.000) 5.653 ======================= Grid point 18 (17/65) ======================= q-point: ( 0.06 -0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.627 ( -10.639 10.174 -8.658) 17.078 0.672 ( -7.048 13.541 -9.397) 17.926 1.205 ( -16.646 19.248 -11.817) 28.057 1.324 ( -1.369 -4.817 3.038) 5.857 1.388 ( 2.668 -3.524 1.480) 4.661 1.431 ( 0.843 -0.089 -0.395) 0.935 1.466 ( 0.329 -0.614 -2.243) 2.348 1.580 ( 0.459 0.913 -5.954) 6.041 1.703 ( 2.915 3.776 -0.502) 4.797 1.796 ( -2.247 1.752 0.577) 2.907 1.858 ( 1.240 1.249 1.262) 2.165 2.031 ( -0.396 0.851 1.333) 1.631 2.073 ( -0.671 -2.104 0.901) 2.385 2.117 ( -4.004 4.421 3.388) 6.860 2.135 ( 1.698 -11.107 -2.393) 11.488 2.473 ( -2.000 -6.652 1.043) 7.024 2.507 ( 2.334 -7.661 -2.601) 8.421 2.669 ( 0.883 -4.641 1.457) 4.944 2.738 ( -3.296 4.923 2.518) 6.437 2.848 ( 0.486 -1.937 -0.270) 2.015 2.898 ( 1.695 -0.301 0.565) 1.812 2.940 ( -0.379 -3.230 -0.223) 3.259 3.023 ( -2.289 -1.033 -0.007) 2.511 3.089 ( 6.379 -2.218 0.143) 6.755 3.131 ( -1.685 7.571 -0.781) 7.795 3.486 ( -3.980 -4.070 0.268) 5.699 3.954 ( -1.274 12.132 -0.611) 12.214 4.380 ( 8.347 -3.841 0.417) 9.198 4.517 ( 4.618 -0.842 0.509) 4.722 4.540 ( 6.953 -1.546 -0.593) 7.148 5.674 ( -1.957 1.350 0.629) 2.459 5.752 ( -2.660 -2.795 -0.316) 3.871 6.009 ( -0.387 2.341 0.073) 2.374 6.012 ( -0.987 1.192 -0.074) 1.549 6.290 ( -0.646 0.589 -1.835) 2.033 6.434 ( 1.634 1.129 5.811) 6.141 6.630 ( -3.779 2.154 5.189) 6.771 6.648 ( 2.769 -1.360 -0.831) 3.194 7.685 ( -4.485 1.194 -2.069) 5.082 7.760 ( 3.228 2.273 4.177) 5.747 7.889 ( 1.772 -3.379 -0.008) 3.815 7.904 ( -2.146 -3.146 -1.620) 4.138 7.997 ( 7.606 5.295 -0.301) 9.273 8.110 ( 9.403 3.278 1.206) 10.031 8.363 ( -1.735 6.016 1.287) 6.392 8.479 ( -5.761 0.291 -3.617) 6.809 8.727 ( -6.141 -4.598 3.281) 8.343 8.793 ( 0.870 -10.552 -0.533) 10.601 9.114 ( 3.509 4.778 0.905) 5.997 9.158 ( 3.163 0.915 -0.213) 3.299 9.185 ( -1.828 -0.072 -1.309) 2.250 9.367 ( -9.593 -1.215 4.752) 10.774 9.640 ( -0.290 2.252 -0.827) 2.417 9.807 ( 5.005 -1.705 1.275) 5.439 ======================= Grid point 19 (18/65) ======================= q-point: ( 0.06 -0.56 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( -4.731 -7.745 3.765) 9.826 0.999 ( -4.731 7.745 -3.765) 9.826 1.144 ( 1.067 -2.013 -0.095) 2.281 1.144 ( 1.067 2.013 0.095) 2.281 1.438 ( -0.809 -0.954 0.022) 1.251 1.438 ( -0.809 0.954 -0.022) 1.251 1.742 ( 1.496 -1.685 -0.377) 2.285 1.742 ( 1.496 1.685 0.377) 2.285 1.810 ( -1.332 -2.759 -1.931) 3.621 1.810 ( -1.332 2.759 1.931) 3.621 1.881 ( 2.181 -8.478 -1.261) 8.844 1.881 ( 2.181 8.478 1.261) 8.844 2.050 ( -2.670 -3.226 -0.090) 4.189 2.050 ( -2.670 3.226 0.090) 4.189 2.200 ( -5.482 -7.959 -0.452) 9.675 2.200 ( -5.482 7.959 0.452) 9.675 2.492 ( -3.780 1.444 -1.942) 4.488 2.492 ( -3.780 -1.444 1.942) 4.488 2.811 ( -1.309 -4.725 -1.713) 5.194 2.811 ( -1.309 4.725 1.713) 5.194 2.885 ( 2.334 -0.565 -0.413) 2.437 2.885 ( 2.334 0.565 0.413) 2.437 3.033 ( 3.959 -1.976 0.082) 4.426 3.033 ( 3.959 1.976 -0.082) 4.426 3.343 ( -2.928 -8.114 0.485) 8.640 3.343 ( -2.928 8.114 -0.485) 8.640 4.217 ( 2.863 -9.828 0.319) 10.241 4.217 ( 2.863 9.828 -0.319) 10.241 4.515 ( 6.717 -1.399 -0.650) 6.892 4.515 ( 6.717 1.399 0.650) 6.892 5.703 ( -2.337 -2.445 -0.833) 3.484 5.703 ( -2.337 2.445 0.833) 3.484 6.030 ( -1.311 0.035 -0.120) 1.317 6.030 ( -1.311 -0.035 0.120) 1.317 6.354 ( 0.006 -0.948 -4.720) 4.814 6.354 ( 0.006 0.948 4.720) 4.814 6.629 ( 1.440 -2.287 -1.738) 3.213 6.629 ( 1.440 2.287 1.738) 3.213 7.738 ( -1.076 -2.407 -3.984) 4.777 7.738 ( -1.076 2.407 3.984) 4.777 7.850 ( -1.712 -0.789 -1.035) 2.150 7.850 ( -1.712 0.789 1.035) 2.150 8.102 ( 9.977 -2.353 0.403) 10.259 8.102 ( 9.977 2.353 -0.403) 10.259 8.492 ( -2.102 -7.186 -3.851) 8.420 8.492 ( -2.102 7.186 3.851) 8.420 8.647 ( -3.310 -2.272 -1.890) 4.437 8.647 ( -3.310 2.272 1.890) 4.437 9.164 ( 2.888 -1.497 -1.198) 3.466 9.164 ( 2.888 1.497 1.198) 3.466 9.249 ( -5.914 -3.766 -6.272) 9.407 9.249 ( -5.914 3.766 6.272) 9.407 9.729 ( 3.084 1.001 -1.343) 3.510 9.729 ( 3.084 -1.001 1.343) 3.510 ======================= Grid point 22 (19/65) ======================= q-point: ( 0.07 0.18 -0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.483 ( 10.662 0.000 14.083) 17.664 0.587 ( 16.997 0.000 13.211) 21.527 0.878 ( 24.036 0.000 19.608) 31.019 1.378 ( -1.671 -0.000 -0.174) 1.680 1.408 ( 0.484 0.000 0.917) 1.037 1.453 ( 0.354 0.000 2.524) 2.548 1.527 ( -5.316 -0.000 -0.065) 5.316 1.571 ( -4.196 -0.000 -0.689) 4.252 1.693 ( 1.448 0.000 2.379) 2.785 1.721 ( 1.098 0.000 1.232) 1.650 1.881 ( 7.474 0.000 -5.249) 9.133 1.961 ( 1.614 0.000 -2.395) 2.888 2.071 ( 1.366 0.000 -0.743) 1.556 2.075 ( -1.547 -0.000 -1.391) 2.080 2.351 ( 1.370 0.000 1.717) 2.196 2.598 ( -0.641 -0.000 0.460) 0.789 2.636 ( 4.238 0.000 -3.615) 5.570 2.641 ( -11.176 -0.000 4.727) 12.135 2.666 ( -9.994 -0.000 -0.704) 10.019 2.881 ( -1.644 -0.000 -0.164) 1.653 2.901 ( -1.559 -0.000 -0.214) 1.574 2.940 ( -2.032 -0.000 0.015) 2.033 2.996 ( -0.047 -0.000 0.984) 0.985 3.117 ( -7.038 -0.000 -0.037) 7.038 3.149 ( 10.657 0.000 -0.344) 10.663 3.531 ( 4.166 0.000 -0.367) 4.182 3.780 ( 3.610 0.000 1.187) 3.800 4.410 ( -10.738 -0.000 -0.477) 10.749 4.535 ( -4.002 -0.000 -0.745) 4.070 4.560 ( -6.254 -0.000 0.597) 6.283 5.659 ( 1.865 0.000 -0.637) 1.970 5.790 ( 2.474 0.000 0.043) 2.474 5.953 ( 1.785 0.000 -0.091) 1.787 5.994 ( 0.883 0.000 0.129) 0.892 6.274 ( 1.663 0.000 -0.265) 1.684 6.399 ( 5.012 0.000 -9.034) 10.331 6.592 ( 8.504 0.000 -5.934) 10.369 6.663 ( -3.017 -0.000 0.807) 3.123 7.653 ( 2.526 0.000 -0.327) 2.548 7.713 ( -1.432 -0.000 0.134) 1.438 7.909 ( -9.148 -0.000 0.731) 9.177 7.942 ( 3.859 0.000 0.313) 3.872 7.995 ( 2.645 0.000 2.970) 3.977 8.026 ( -9.372 -0.000 -0.412) 9.381 8.301 ( 1.431 0.000 -0.926) 1.705 8.469 ( 6.875 0.000 3.132) 7.555 8.806 ( 9.933 0.000 -9.747) 13.917 8.972 ( -1.836 -0.000 -1.239) 2.215 9.022 ( -6.812 -0.000 1.436) 6.962 9.120 ( -6.113 -0.000 1.042) 6.201 9.183 ( 1.629 0.000 0.036) 1.630 9.418 ( 9.261 0.000 1.613) 9.400 9.583 ( 3.946 0.000 -4.968) 6.345 9.826 ( -5.412 -0.000 -1.459) 5.605 ======================= Grid point 23 (20/65) ======================= q-point: ( 0.07 -0.07 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.554 ( 9.936 15.122 0.000) 18.094 0.574 ( 10.355 16.822 0.000) 19.754 1.077 ( 22.070 24.270 0.000) 32.804 1.376 ( -1.412 0.171 -0.000) 1.423 1.413 ( 1.043 0.210 0.000) 1.064 1.423 ( -3.536 -4.812 -0.000) 5.971 1.436 ( -0.201 1.448 0.000) 1.462 1.504 ( 0.164 -5.147 -0.000) 5.149 1.701 ( -4.324 4.154 -0.000) 5.996 1.798 ( 0.875 2.001 0.000) 2.184 1.874 ( -0.070 0.907 0.000) 0.910 2.042 ( -0.207 0.975 0.000) 0.997 2.094 ( -0.233 0.182 -0.000) 0.296 2.098 ( -0.507 -15.396 -0.000) 15.404 2.155 ( 3.961 4.545 0.000) 6.029 2.418 ( -1.445 -2.419 -0.000) 2.818 2.524 ( 5.814 -6.937 0.000) 9.051 2.681 ( -1.940 -4.542 -0.000) 4.940 2.762 ( 3.935 4.549 0.000) 6.015 2.845 ( -0.865 -2.263 -0.000) 2.423 2.904 ( -1.532 -0.374 -0.000) 1.577 2.938 ( 0.201 -3.433 -0.000) 3.439 3.023 ( 2.070 -0.588 0.000) 2.152 3.091 ( -6.596 -2.150 -0.000) 6.937 3.122 ( 2.638 7.184 0.000) 7.653 3.489 ( 3.982 -4.146 0.000) 5.749 3.948 ( 0.962 12.499 0.000) 12.536 4.384 ( -8.501 -3.985 -0.000) 9.389 4.522 ( -4.332 -1.028 -0.000) 4.453 4.533 ( -7.118 -1.473 -0.000) 7.269 5.680 ( 1.884 1.342 0.000) 2.313 5.749 ( 2.779 -2.986 0.000) 4.079 6.010 ( 0.302 2.414 0.000) 2.433 6.011 ( 0.977 1.142 0.000) 1.503 6.272 ( 0.872 0.010 0.000) 0.872 6.483 ( -4.547 -0.268 -0.000) 4.555 6.639 ( -2.854 -1.417 -0.000) 3.186 6.706 ( 1.776 -1.787 0.000) 2.520 7.661 ( 3.845 0.681 0.000) 3.905 7.821 ( -4.790 -3.565 -0.000) 5.972 7.854 ( 0.341 2.278 0.000) 2.303 7.893 ( -2.619 -1.875 -0.000) 3.221 8.001 ( -4.105 5.021 -0.000) 6.485 8.139 ( -9.281 4.619 -0.000) 10.367 8.375 ( 1.895 6.544 0.000) 6.813 8.434 ( 5.777 -0.334 0.000) 5.786 8.750 ( -3.779 -9.152 -0.000) 9.902 8.801 ( 8.176 -8.508 0.000) 11.800 9.120 ( -4.115 4.048 -0.000) 5.772 9.161 ( 0.446 -2.094 -0.000) 2.141 9.164 ( -1.439 1.390 -0.000) 2.001 9.447 ( 4.947 3.950 0.000) 6.330 9.627 ( 4.017 -2.989 0.000) 5.008 9.818 ( -5.209 -1.859 -0.000) 5.530 ======================= Grid point 24 (21/65) ======================= q-point: ( 0.07 -0.32 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( 4.991 15.378 -1.352) 16.224 0.985 ( 2.182 12.413 -3.694) 13.133 1.195 ( 1.516 -2.877 8.980) 9.551 1.267 ( -2.020 -5.959 7.127) 9.507 1.428 ( 1.037 1.009 -0.994) 1.756 1.443 ( 0.483 0.704 0.124) 0.863 1.635 ( -0.129 6.694 -9.076) 11.278 1.693 ( 6.757 11.174 -6.723) 14.687 1.768 ( -2.157 -6.578 -0.208) 6.926 1.799 ( 0.129 1.255 -1.002) 1.612 1.845 ( -3.220 -3.268 -2.678) 5.312 1.924 ( -2.874 6.393 2.270) 7.367 2.052 ( 0.996 -0.153 0.468) 1.111 2.082 ( 1.353 -1.816 0.922) 2.445 2.225 ( 5.170 1.131 4.520) 6.960 2.287 ( 5.973 -6.583 6.200) 10.837 2.422 ( 3.272 1.383 -4.531) 5.758 2.500 ( 5.334 -6.153 -1.667) 8.312 2.783 ( 1.112 -6.018 -1.208) 6.238 2.839 ( 1.487 3.204 1.209) 3.733 2.879 ( -3.458 -0.589 -0.261) 3.517 2.893 ( -1.203 0.634 0.367) 1.409 3.033 ( -3.990 1.828 -0.012) 4.389 3.036 ( -3.935 -2.010 0.151) 4.421 3.332 ( 3.211 8.157 -0.617) 8.788 3.349 ( 2.888 -8.163 0.084) 8.659 4.212 ( -2.970 9.884 -0.227) 10.323 4.223 ( -2.749 -9.817 0.224) 10.197 4.503 ( -6.818 -1.387 -0.572) 6.981 4.525 ( -6.519 1.348 0.360) 6.666 5.688 ( 2.518 -2.582 -0.627) 3.661 5.716 ( 2.167 2.296 0.569) 3.208 6.028 ( 1.377 0.092 -0.099) 1.383 6.033 ( 1.247 -0.133 0.111) 1.259 6.277 ( 0.863 -2.425 -3.247) 4.144 6.431 ( -1.410 -1.014 3.266) 3.700 6.604 ( -1.852 -2.360 -0.900) 3.132 6.665 ( -1.136 1.164 2.007) 2.583 7.664 ( -1.811 -3.503 -3.417) 5.218 7.784 ( 3.282 1.348 0.623) 3.603 7.835 ( 5.542 -0.906 0.172) 5.618 7.855 ( -1.903 -1.856 -0.623) 2.731 8.111 ( -9.542 4.043 0.995) 10.410 8.149 ( -8.623 0.728 4.202) 9.620 8.417 ( 0.795 -6.109 -4.055) 7.375 8.554 ( 2.617 7.424 2.723) 8.329 8.618 ( 4.032 -2.893 -1.189) 5.103 8.680 ( 2.031 1.639 1.475) 2.998 9.116 ( 0.255 -4.258 -3.332) 5.413 9.173 ( -0.300 0.987 -0.094) 1.036 9.186 ( 0.154 0.236 -0.636) 0.696 9.398 ( 4.354 2.753 9.242) 10.581 9.673 ( -1.669 1.203 -4.404) 4.861 9.753 ( -3.578 -3.106 0.769) 4.800 ======================= Grid point 25 (22/65) ======================= q-point: ( 0.07 0.43 -0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( 7.454 -2.697 14.536) 16.557 0.878 ( 4.376 -8.786 12.401) 15.816 1.270 ( 2.061 8.446 -1.284) 8.788 1.341 ( -3.061 7.491 -2.462) 8.459 1.413 ( 2.254 -1.621 4.100) 4.952 1.467 ( 0.903 1.007 2.833) 3.139 1.561 ( 5.930 -10.029 10.793) 15.882 1.645 ( -2.046 -6.121 1.053) 6.539 1.747 ( 0.307 -2.581 3.419) 4.295 1.761 ( 3.244 -1.761 -2.375) 4.389 1.852 ( -1.390 -0.417 0.718) 1.619 1.970 ( 4.057 -3.524 -5.497) 7.688 2.055 ( 1.380 -0.623 -0.761) 1.695 2.076 ( 0.530 -0.639 -0.538) 0.989 2.178 ( -3.152 11.901 2.096) 12.489 2.398 ( 4.142 7.231 -4.791) 9.613 2.542 ( -5.827 6.315 -1.458) 8.716 2.628 ( 0.601 4.737 -2.767) 5.519 2.679 ( 2.432 -5.450 -3.704) 7.024 2.854 ( 0.131 1.329 0.329) 1.375 2.886 ( -2.148 0.112 -0.666) 2.252 2.945 ( 0.615 2.654 0.300) 2.741 3.024 ( 2.826 1.551 0.036) 3.224 3.087 ( -6.509 2.343 -0.081) 6.918 3.141 ( 1.025 -8.189 0.282) 8.258 3.479 ( 4.005 3.996 -0.494) 5.679 3.965 ( 1.886 -11.727 0.558) 11.891 4.371 ( -8.008 3.600 -0.507) 8.795 4.505 ( -4.725 0.671 -0.713) 4.826 4.551 ( -6.955 1.474 0.563) 7.132 5.659 ( 2.126 -1.343 -0.874) 2.663 5.759 ( 2.456 2.342 0.407) 3.418 6.007 ( 0.501 -2.361 -0.098) 2.416 6.013 ( 1.087 -1.145 0.095) 1.582 6.274 ( 3.620 -5.677 -6.334) 9.244 6.359 ( 1.488 -0.507 1.768) 2.366 6.574 ( 0.885 -2.138 -1.500) 2.758 6.668 ( -2.741 1.209 1.206) 3.230 7.662 ( -2.140 -3.292 -4.258) 5.792 7.750 ( 4.312 -0.458 2.771) 5.146 7.859 ( -3.996 0.592 -2.709) 4.864 7.894 ( 6.190 1.939 -2.226) 6.858 8.052 ( -9.009 -0.917 5.068) 10.377 8.126 ( -8.795 -0.757 2.422) 9.154 8.329 ( 0.251 -5.202 -2.382) 5.727 8.536 ( 7.153 -1.113 2.412) 7.630 8.654 ( 11.275 0.985 -3.885) 11.966 8.824 ( -6.075 10.557 2.591) 12.453 9.079 ( -2.102 -4.507 -2.755) 5.685 9.170 ( -4.207 -0.645 0.935) 4.358 9.191 ( 2.663 -0.867 -0.427) 2.833 9.359 ( 7.373 4.908 3.428) 9.498 9.652 ( -1.406 -4.858 0.463) 5.079 9.771 ( -4.231 1.346 -2.727) 5.211 ======================= Grid point 26 (23/65) ======================= q-point: ( 0.08 0.42 -0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( 12.408 0.000 5.303) 13.494 1.306 ( -2.626 -0.000 0.260) 2.639 1.333 ( -2.762 -0.000 0.464) 2.801 1.347 ( 8.436 0.000 5.177) 9.898 1.455 ( 0.253 0.000 3.466) 3.475 1.461 ( 0.607 0.000 0.976) 1.149 1.538 ( 2.469 0.000 2.639) 3.614 1.662 ( 0.841 0.000 0.098) 0.847 1.776 ( -0.584 -0.000 2.795) 2.856 1.848 ( 0.174 0.000 2.275) 2.282 2.000 ( 0.076 -0.000 1.672) 1.674 2.050 ( 1.158 0.000 1.755) 2.102 2.148 ( 8.150 0.000 -4.191) 9.164 2.205 ( 10.358 0.000 -1.342) 10.445 2.342 ( -4.696 -0.000 0.005) 4.696 2.401 ( 2.481 0.000 0.959) 2.660 2.634 ( 9.697 0.000 0.174) 9.698 2.667 ( -5.320 -0.000 -3.666) 6.461 2.687 ( -0.269 0.000 -5.367) 5.374 2.756 ( 1.349 0.000 -3.336) 3.598 2.758 ( -3.138 -0.000 -1.329) 3.408 2.876 ( 2.594 0.000 0.770) 2.706 2.887 ( 0.341 0.000 2.075) 2.103 3.009 ( -0.852 -0.000 2.145) 2.308 3.483 ( 4.515 0.000 0.330) 4.527 3.671 ( 2.916 0.000 -0.653) 2.988 3.743 ( -21.206 -0.000 -0.450) 21.211 4.019 ( 5.949 0.000 1.716) 6.192 4.064 ( -16.885 -0.000 0.412) 16.890 4.337 ( -5.677 -0.000 -0.626) 5.711 5.780 ( 4.267 0.000 -0.775) 4.337 5.895 ( 1.428 0.000 0.357) 1.472 6.049 ( 1.778 0.000 0.421) 1.828 6.063 ( 4.295 0.000 -0.266) 4.303 6.230 ( -3.837 -0.000 -1.071) 3.984 6.333 ( -2.432 -0.000 1.423) 2.818 6.640 ( 1.801 0.000 1.230) 2.181 6.718 ( 2.519 0.000 -3.284) 4.139 7.593 ( 1.213 0.000 -3.224) 3.444 7.598 ( -3.998 -0.000 -4.836) 6.275 7.767 ( -7.574 -0.000 5.118) 9.141 7.782 ( -5.018 -0.000 4.661) 6.849 8.003 ( 4.787 0.000 2.966) 5.631 8.221 ( -2.543 -0.000 -4.021) 4.757 8.348 ( 11.005 0.000 -2.377) 11.259 8.773 ( 0.054 -0.000 2.660) 2.661 8.794 ( 0.879 0.000 0.273) 0.921 8.823 ( -1.218 -0.000 0.683) 1.396 8.920 ( -0.589 -0.000 -1.011) 1.170 8.969 ( -0.512 -0.000 -1.783) 1.855 9.177 ( -4.842 -0.000 3.934) 6.239 9.416 ( -10.269 -0.000 -1.992) 10.460 9.640 ( 5.244 0.000 -6.813) 8.598 9.733 ( 2.404 0.000 3.040) 3.876 ======================= Grid point 27 (24/65) ======================= q-point: ( 0.08 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( 13.603 6.734 1.374) 15.241 1.182 ( 12.948 -3.208 4.065) 13.946 1.267 ( -0.850 -1.381 -0.667) 1.754 1.359 ( 0.785 -0.004 2.274) 2.406 1.432 ( -4.585 2.948 0.512) 5.475 1.451 ( 1.148 0.489 0.156) 1.258 1.499 ( 2.069 0.921 -0.547) 2.330 1.671 ( 1.090 -2.879 3.143) 4.399 1.712 ( 0.102 -0.807 0.309) 0.871 1.777 ( 3.012 2.744 2.217) 4.638 1.993 ( -1.552 -0.491 -0.048) 1.629 2.044 ( 2.658 -1.042 -0.235) 2.864 2.106 ( 0.099 -11.654 0.485) 11.664 2.134 ( 2.815 -0.867 -1.861) 3.484 2.314 ( 2.464 2.728 -0.747) 3.751 2.541 ( 11.363 11.171 1.517) 16.007 2.651 ( 2.939 -0.634 1.187) 3.233 2.723 ( -0.197 -0.291 -3.422) 3.440 2.767 ( 3.376 -2.614 -2.522) 4.959 2.805 ( 0.280 1.148 0.517) 1.290 2.840 ( -1.900 0.571 -0.225) 1.997 2.914 ( -2.145 3.036 0.944) 3.836 2.928 ( 2.826 3.039 -1.888) 4.559 3.017 ( -3.570 10.451 1.147) 11.103 3.333 ( 6.660 -11.477 0.092) 13.270 3.568 ( -3.322 -7.826 -0.150) 8.503 3.831 ( -14.741 4.392 -0.710) 15.397 3.964 ( -9.059 -2.347 0.808) 9.393 4.116 ( -5.010 4.345 0.728) 6.672 4.317 ( -5.166 -2.501 -0.426) 5.755 5.804 ( 4.013 1.017 -0.577) 4.180 5.866 ( 1.825 -1.890 0.312) 2.646 6.052 ( 1.032 0.774 0.362) 1.340 6.077 ( 2.883 0.555 -0.269) 2.948 6.260 ( -4.486 0.955 -0.910) 4.676 6.287 ( -2.514 -1.733 1.024) 3.221 6.620 ( 2.252 0.185 1.006) 2.473 6.746 ( 1.398 -2.122 -2.019) 3.246 7.598 ( -5.027 -3.967 3.989) 7.545 7.662 ( -2.969 1.206 -2.560) 4.102 7.707 ( -2.622 1.603 0.174) 3.078 7.764 ( -5.500 1.581 -2.530) 6.257 8.006 ( 5.324 4.163 2.394) 7.170 8.286 ( 4.088 -1.409 -2.104) 4.809 8.398 ( 4.721 2.657 -2.314) 5.891 8.585 ( -0.930 -8.059 2.600) 8.519 8.784 ( 4.634 1.258 1.124) 4.931 8.916 ( 1.361 -0.799 -1.664) 2.294 8.944 ( -3.177 4.802 0.404) 5.772 9.018 ( -2.861 1.202 -0.779) 3.200 9.118 ( -4.322 0.701 3.008) 5.312 9.409 ( -10.192 -3.619 -2.482) 11.097 9.665 ( 2.420 -1.124 2.887) 3.931 9.757 ( 2.983 0.291 -4.084) 5.066 ======================= Grid point 28 (25/65) ======================= q-point: ( 0.08 -0.08 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( 7.093 3.261 0.000) 7.806 1.282 ( 2.164 1.364 0.000) 2.558 1.304 ( 8.539 7.947 0.000) 11.665 1.363 ( -0.917 2.546 0.000) 2.706 1.466 ( 0.191 0.586 0.000) 0.617 1.503 ( 0.475 3.243 0.000) 3.277 1.535 ( 3.191 1.016 0.000) 3.349 1.602 ( -6.081 -5.306 -0.000) 8.071 1.629 ( -0.599 2.804 0.000) 2.867 1.865 ( 4.198 -6.813 -0.000) 8.003 1.901 ( 3.503 7.473 0.000) 8.254 1.997 ( -0.790 -0.161 -0.000) 0.806 2.034 ( -0.453 0.322 -0.000) 0.556 2.175 ( 2.804 0.166 0.000) 2.809 2.341 ( 1.282 1.230 0.000) 1.777 2.575 ( 6.188 -7.231 0.000) 9.517 2.619 ( -4.538 -0.206 -0.000) 4.542 2.723 ( 9.779 -1.436 0.000) 9.884 2.824 ( 2.972 -1.193 0.000) 3.202 2.841 ( -0.268 3.795 0.000) 3.804 2.871 ( 2.924 -1.757 0.000) 3.411 2.943 ( 3.722 6.616 0.000) 7.591 2.995 ( 7.201 -15.660 -0.000) 17.236 3.037 ( 4.212 9.257 0.000) 10.170 3.336 ( -4.025 12.398 0.000) 13.035 3.343 ( -3.969 -12.273 -0.000) 12.899 3.884 ( -14.616 -3.844 -0.000) 15.113 3.930 ( -14.040 3.663 -0.000) 14.510 4.210 ( -3.885 4.365 -0.000) 5.843 4.250 ( -3.906 -3.787 -0.000) 5.441 5.811 ( 3.067 -2.334 0.000) 3.854 5.843 ( 3.232 1.834 0.000) 3.716 6.062 ( 0.586 0.293 0.000) 0.655 6.087 ( 1.325 -0.067 0.000) 1.327 6.236 ( -2.664 -1.484 -0.000) 3.050 6.303 ( -4.971 1.859 -0.000) 5.307 6.617 ( 3.413 0.515 0.000) 3.452 6.708 ( 2.069 -2.270 0.000) 3.071 7.474 ( -3.757 -2.582 -0.000) 4.559 7.651 ( -3.038 -2.220 -0.000) 3.763 7.795 ( -5.232 4.228 -0.000) 6.727 7.852 ( -7.062 1.922 -0.000) 7.319 8.082 ( 6.609 4.253 0.000) 7.860 8.235 ( 7.863 -4.140 0.000) 8.886 8.376 ( 1.043 -7.301 -0.000) 7.375 8.533 ( 0.046 6.209 0.000) 6.209 8.797 ( 4.187 0.948 0.000) 4.293 8.904 ( 4.199 -1.304 0.000) 4.397 8.985 ( -2.847 -1.065 -0.000) 3.040 9.030 ( -3.540 -1.047 -0.000) 3.692 9.159 ( -4.956 5.616 -0.000) 7.490 9.356 ( -10.950 -3.315 -0.000) 11.441 9.591 ( 3.367 -2.575 0.000) 4.239 9.793 ( 2.554 0.089 0.000) 2.556 ======================= Grid point 29 (26/65) ======================= q-point: ( 0.08 0.67 -0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( 3.341 1.765 -0.095) 3.780 1.249 ( 4.294 -0.299 4.070) 5.924 1.379 ( 3.923 3.666 4.569) 7.050 1.430 ( 3.068 2.930 0.907) 4.338 1.449 ( -5.193 -4.117 1.526) 6.801 1.503 ( 1.426 1.746 1.274) 2.589 1.537 ( 1.653 1.156 1.964) 2.815 1.626 ( -3.675 1.713 -4.640) 6.162 1.746 ( -1.471 3.468 -0.718) 3.835 1.871 ( 3.667 3.387 0.611) 5.029 1.950 ( 1.344 1.293 -0.606) 1.961 2.063 ( 0.328 2.195 -0.204) 2.229 2.080 ( 0.193 2.659 2.316) 3.531 2.141 ( 0.872 6.431 0.983) 6.563 2.355 ( 7.412 -7.706 2.642) 11.013 2.482 ( 3.639 2.677 -6.629) 8.022 2.591 ( 4.030 -11.003 -1.055) 11.765 2.670 ( 1.888 -1.337 -0.728) 2.425 2.696 ( 4.962 -3.834 -0.209) 6.274 2.748 ( 4.105 -4.697 -2.443) 6.699 2.862 ( -1.580 -0.593 0.970) 1.947 2.889 ( 1.288 -0.831 -0.261) 1.555 2.963 ( -0.229 -3.839 1.345) 4.074 3.067 ( -2.369 -6.322 1.096) 6.840 3.337 ( 7.304 12.101 0.112) 14.135 3.560 ( -2.836 7.396 -0.198) 7.923 3.802 ( -15.938 -3.967 -0.571) 16.434 3.994 ( -10.730 2.697 0.566) 11.078 4.150 ( -3.683 -4.395 0.784) 5.788 4.296 ( -5.152 2.626 -0.536) 5.807 5.778 ( 3.844 -1.025 -0.552) 4.017 5.880 ( 2.292 1.629 0.296) 2.827 6.064 ( 2.634 -0.330 -0.270) 2.668 6.070 ( 1.429 -0.918 0.392) 1.744 6.221 ( -3.207 -0.706 -0.812) 3.383 6.336 ( -3.885 1.749 1.128) 4.408 6.651 ( 3.723 0.853 -1.837) 4.238 6.666 ( 2.306 -0.593 0.713) 2.485 7.489 ( -2.356 0.381 -3.612) 4.330 7.607 ( -1.587 -3.295 -2.218) 4.277 7.823 ( -8.744 2.155 5.046) 10.323 7.853 ( -5.171 1.940 3.601) 6.593 8.108 ( 6.007 -4.136 2.289) 7.644 8.167 ( 1.978 -0.490 -3.380) 3.947 8.302 ( 6.596 -1.176 -2.271) 7.074 8.667 ( -1.730 7.034 1.316) 7.362 8.816 ( 2.988 -0.632 -0.247) 3.064 8.872 ( 4.578 -0.040 0.219) 4.584 8.955 ( -2.590 -3.096 -0.385) 4.055 8.976 ( -2.352 -2.905 -0.770) 3.816 9.260 ( -6.838 -0.659 3.557) 7.736 9.314 ( -7.664 4.789 -1.695) 9.194 9.569 ( 3.735 -2.904 -4.434) 6.484 9.777 ( 2.602 0.296 2.103) 3.359 ======================= Grid point 30 (27/65) ======================= q-point: ( 0.10 -0.35 -0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( 0.531 0.000 0.128) 0.546 1.275 ( 0.227 0.000 0.369) 0.433 1.324 ( -9.870 -0.000 -1.088) 9.930 1.409 ( -1.738 -0.000 -2.020) 2.665 1.453 ( -2.591 -0.000 0.646) 2.670 1.476 ( -3.345 -0.000 1.326) 3.598 1.554 ( -3.245 -0.000 -2.846) 4.316 1.692 ( -0.717 -0.000 1.131) 1.339 1.696 ( 0.978 0.000 -3.246) 3.390 1.829 ( 1.040 0.000 0.346) 1.096 2.007 ( -3.511 -0.000 -0.355) 3.529 2.048 ( -1.366 -0.000 -0.640) 1.509 2.298 ( -0.643 -0.000 0.040) 0.644 2.326 ( -2.569 -0.000 -0.185) 2.576 2.363 ( -8.654 -0.000 1.405) 8.767 2.378 ( 2.747 0.000 -0.961) 2.910 2.542 ( 10.888 0.000 -0.220) 10.890 2.590 ( 7.365 0.000 2.896) 7.914 2.712 ( 4.159 0.000 -3.296) 5.307 2.797 ( -1.975 -0.000 1.679) 2.592 2.909 ( -3.798 -0.000 -0.773) 3.876 2.961 ( -3.769 -0.000 2.140) 4.334 2.975 ( -10.476 -0.000 -0.058) 10.477 3.109 ( -18.974 -0.000 -0.520) 18.982 3.341 ( 20.829 0.000 0.725) 20.842 3.447 ( 10.292 0.000 -0.273) 10.295 3.729 ( -1.927 -0.000 0.538) 2.001 3.783 ( 8.697 0.000 -0.202) 8.700 4.106 ( -5.939 -0.000 -0.971) 6.018 4.243 ( 5.055 0.000 0.516) 5.081 5.870 ( -3.285 -0.000 0.637) 3.346 5.885 ( 1.315 0.000 -0.553) 1.426 6.081 ( -2.603 -0.000 -0.433) 2.639 6.165 ( -5.559 -0.000 0.288) 5.567 6.166 ( 3.892 0.000 0.528) 3.927 6.252 ( 4.356 0.000 -0.356) 4.371 6.666 ( -2.663 -0.000 -1.048) 2.862 6.760 ( 1.764 0.000 1.187) 2.126 7.559 ( 5.348 0.000 -2.766) 6.021 7.606 ( 1.517 0.000 -0.512) 1.601 7.673 ( 1.344 0.000 1.357) 1.910 7.697 ( -3.185 -0.000 2.631) 4.131 8.032 ( -3.643 -0.000 -2.629) 4.493 8.227 ( 3.517 0.000 2.875) 4.542 8.593 ( -9.777 -0.000 1.804) 9.942 8.652 ( 5.957 0.000 -2.386) 6.417 8.806 ( -0.434 -0.000 -0.570) 0.716 8.837 ( -1.866 -0.000 0.346) 1.898 8.904 ( 1.056 0.000 -1.318) 1.689 8.989 ( 0.567 0.000 1.396) 1.507 9.094 ( -2.256 -0.000 -1.075) 2.499 9.251 ( 9.013 0.000 1.214) 9.094 9.694 ( 0.928 0.000 -2.755) 2.907 9.801 ( -1.477 -0.000 3.347) 3.659 ======================= Grid point 31 (28/65) ======================= q-point: ( 0.10 -0.60 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( -2.385 1.151 0.428) 2.682 1.331 ( 3.757 3.627 -0.868) 5.294 1.373 ( -8.035 1.770 -0.980) 8.285 1.417 ( -4.254 -2.920 -0.351) 5.172 1.456 ( -0.263 -0.474 -1.847) 1.925 1.469 ( 1.329 0.645 -1.589) 2.170 1.522 ( -1.944 -3.297 -0.794) 3.909 1.592 ( 4.927 -5.576 1.625) 7.616 1.779 ( -2.350 1.274 1.042) 2.869 1.828 ( 1.136 0.690 -1.874) 2.298 1.967 ( -0.681 -4.899 -1.232) 5.097 2.024 ( 3.536 -5.005 0.932) 6.199 2.142 ( -1.707 -4.558 -1.630) 5.133 2.147 ( -1.983 -4.133 2.260) 5.111 2.438 ( -6.264 5.279 -3.324) 8.840 2.564 ( 6.329 2.931 4.090) 8.085 2.646 ( -3.944 6.141 1.465) 7.444 2.731 ( 2.475 2.309 0.690) 3.454 2.741 ( -1.626 3.388 -0.145) 3.761 2.793 ( 3.222 9.588 -0.086) 10.115 2.934 ( -3.822 1.674 2.582) 4.907 2.964 ( -3.063 1.266 -2.847) 4.369 3.020 ( -7.245 5.060 -0.536) 8.853 3.098 ( -17.106 -1.543 -0.774) 17.193 3.332 ( 17.144 -0.671 0.495) 17.164 3.383 ( 5.513 -6.331 -0.206) 8.397 3.674 ( 1.606 -3.179 0.820) 3.655 3.723 ( 9.718 -4.724 -0.501) 10.817 4.149 ( -2.787 1.539 -1.083) 3.363 4.216 ( 4.143 -1.182 0.771) 4.376 5.858 ( -2.782 0.346 0.871) 2.935 5.890 ( 0.417 -0.639 -0.738) 1.061 6.090 ( -1.951 -0.130 -0.708) 2.079 6.119 ( -0.785 -1.719 0.660) 2.002 6.183 ( 0.274 1.025 0.601) 1.219 6.239 ( 4.041 -1.628 -0.744) 4.420 6.694 ( -2.541 0.402 -1.336) 2.899 6.724 ( 0.277 -0.602 1.691) 1.816 7.551 ( -0.326 -0.338 5.044) 5.066 7.596 ( 4.365 -1.569 -5.044) 6.852 7.658 ( -1.268 0.828 3.089) 3.440 7.703 ( 3.300 -0.379 -3.395) 4.750 8.155 ( -4.240 5.076 -3.382) 7.429 8.220 ( 2.468 4.287 3.671) 6.160 8.495 ( -7.334 -3.819 2.796) 8.728 8.596 ( 2.981 -6.438 -2.617) 7.563 8.869 ( -2.355 2.824 0.254) 3.686 8.909 ( 1.640 4.887 -0.655) 5.197 8.936 ( -1.827 -0.135 -0.063) 1.833 8.963 ( 1.314 0.999 0.533) 1.734 9.102 ( 0.615 -1.388 -2.041) 2.544 9.187 ( 7.956 -3.203 1.679) 8.739 9.728 ( -2.441 0.412 4.463) 5.104 9.750 ( -0.098 -0.380 -3.569) 3.591 ======================= Grid point 32 (29/65) ======================= q-point: ( 0.10 0.15 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( -5.281 1.942 1.509) 5.826 1.345 ( -4.180 -3.575 -0.922) 5.577 1.382 ( -0.742 -0.858 2.399) 2.653 1.413 ( 2.047 -2.066 0.234) 2.918 1.425 ( -0.674 -2.851 1.091) 3.126 1.477 ( 4.798 5.454 -0.816) 7.310 1.499 ( -1.188 -1.465 -1.695) 2.535 1.553 ( -0.800 -0.452 -2.745) 2.895 1.726 ( -3.120 0.127 4.098) 5.152 1.886 ( -0.594 0.600 -2.065) 2.231 1.917 ( 1.729 -3.403 -1.106) 3.975 1.953 ( 2.188 2.050 -2.709) 4.041 2.045 ( -0.983 0.356 2.963) 3.142 2.178 ( -1.768 0.180 -3.480) 3.908 2.461 ( -3.533 -3.420 5.394) 7.298 2.575 ( 3.498 2.562 4.541) 6.279 2.642 ( -3.419 4.889 -2.938) 6.650 2.752 ( 2.394 -3.151 -3.278) 5.138 2.873 ( -1.880 1.909 0.779) 2.790 2.904 ( -4.669 -0.503 -0.694) 4.747 2.957 ( -5.122 0.093 1.491) 5.335 3.022 ( -5.281 0.339 -1.388) 5.471 3.153 ( -4.250 1.899 -0.016) 4.655 3.159 ( -4.952 -5.418 -0.172) 7.342 3.237 ( 3.096 -4.512 0.070) 5.472 3.241 ( 4.018 6.154 -0.074) 7.350 3.628 ( 10.332 1.629 0.602) 10.477 3.656 ( 10.990 -1.180 -0.620) 11.070 4.171 ( 1.087 -1.662 0.610) 2.078 4.199 ( 1.091 1.426 -0.603) 1.894 5.860 ( -1.302 0.946 0.523) 1.692 5.885 ( -1.416 -0.779 -0.553) 1.708 6.078 ( -0.469 -0.573 0.570) 0.934 6.105 ( -0.887 0.525 -0.601) 1.193 6.193 ( 1.781 1.106 0.573) 2.173 6.219 ( 2.465 -1.264 -0.553) 2.825 6.682 ( -1.565 -0.590 1.114) 2.010 6.732 ( -1.148 0.895 -1.052) 1.797 7.465 ( 1.370 1.049 4.081) 4.431 7.628 ( 0.847 0.405 1.630) 1.881 7.667 ( 2.976 -0.598 -4.017) 5.035 7.743 ( 1.475 -1.117 -2.878) 3.421 8.202 ( -2.598 -2.357 2.888) 4.543 8.318 ( -2.849 2.578 -2.293) 4.474 8.418 ( -0.540 3.221 2.088) 3.876 8.523 ( -0.846 -3.076 -2.719) 4.192 8.881 ( -2.398 -0.268 2.013) 3.142 8.946 ( -1.709 1.048 -1.016) 2.247 8.975 ( -0.708 0.588 0.302) 0.968 8.987 ( 0.253 -0.686 -0.247) 0.772 9.071 ( 4.861 -3.345 1.484) 6.085 9.146 ( 7.070 2.467 -1.823) 7.707 9.672 ( -1.372 0.913 3.023) 3.444 9.801 ( -0.935 -0.209 -2.617) 2.787 ======================= Grid point 33 (30/65) ======================= q-point: ( 0.10 -0.10 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( -2.281 -2.070 -0.000) 3.081 1.317 ( 1.808 -0.421 0.000) 1.856 1.352 ( -8.684 -2.917 -0.000) 9.161 1.359 ( -2.232 1.483 -0.000) 2.680 1.386 ( -6.934 3.559 -0.000) 7.794 1.477 ( -1.600 -1.173 -0.000) 1.985 1.558 ( -2.124 -1.631 -0.000) 2.678 1.598 ( 5.725 3.838 0.000) 6.892 1.740 ( -1.772 3.798 0.000) 4.191 1.841 ( -3.994 -5.494 -0.000) 6.793 1.954 ( 0.638 2.151 0.000) 2.244 2.068 ( 2.335 10.851 0.000) 11.099 2.089 ( -1.799 0.675 -0.000) 1.921 2.212 ( -0.947 1.801 0.000) 2.035 2.356 ( -4.202 -1.398 -0.000) 4.428 2.602 ( 4.437 4.075 0.000) 6.024 2.646 ( 2.092 -7.979 -0.000) 8.249 2.688 ( 0.495 -7.572 -0.000) 7.588 2.786 ( 5.975 -12.057 -0.000) 13.456 2.871 ( 0.390 -3.445 -0.000) 3.467 2.873 ( -3.190 1.560 -0.000) 3.551 2.998 ( -3.690 -1.579 -0.000) 4.014 3.011 ( -9.508 -4.553 -0.000) 10.541 3.083 ( -18.145 1.399 -0.000) 18.199 3.345 ( 16.862 1.259 0.000) 16.909 3.377 ( 4.802 6.115 0.000) 7.775 3.694 ( 2.114 2.934 0.000) 3.616 3.712 ( 9.716 5.055 0.000) 10.952 4.123 ( -3.156 -1.884 -0.000) 3.675 4.234 ( 3.837 1.146 0.000) 4.004 5.873 ( 0.719 0.573 0.000) 0.920 5.878 ( -2.785 -0.292 -0.000) 2.800 6.074 ( -1.806 0.291 -0.000) 1.829 6.135 ( -1.399 1.527 -0.000) 2.071 6.197 ( 0.913 -1.188 0.000) 1.499 6.223 ( 3.444 1.880 0.000) 3.924 6.661 ( -2.363 -0.386 -0.000) 2.394 6.763 ( 1.076 0.736 0.000) 1.303 7.476 ( 3.411 3.231 0.000) 4.698 7.613 ( 2.464 -0.582 0.000) 2.532 7.688 ( 0.431 -0.333 0.000) 0.545 7.749 ( -0.696 -1.235 -0.000) 1.418 8.070 ( -3.611 -5.037 -0.000) 6.198 8.306 ( 2.288 -3.659 -0.000) 4.316 8.527 ( 3.050 6.585 0.000) 7.257 8.568 ( -7.509 2.871 -0.000) 8.039 8.845 ( -2.483 -0.902 -0.000) 2.642 8.892 ( 1.559 -5.166 -0.000) 5.396 8.931 ( 0.577 -2.863 -0.000) 2.921 8.993 ( 0.411 0.701 0.000) 0.812 9.060 ( -1.586 1.894 -0.000) 2.470 9.231 ( 8.834 2.734 0.000) 9.248 9.661 ( 0.438 0.552 0.000) 0.705 9.829 ( -0.869 0.261 -0.000) 0.908 ======================= Grid point 34 (31/65) ======================= q-point: ( 0.11 -0.11 -0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( -18.171 -0.000 -0.000) 18.171 0.865 ( -20.348 -0.000 -0.000) 20.348 1.251 ( -25.130 -0.000 -0.000) 25.130 1.340 ( 1.152 0.000 0.000) 1.152 1.411 ( 6.037 0.000 0.000) 6.037 1.416 ( -1.257 -0.000 -0.000) 1.257 1.448 ( -1.363 -0.000 -0.000) 1.363 1.467 ( 6.589 0.000 0.000) 6.589 1.699 ( -1.272 -0.000 -0.000) 1.272 1.722 ( -2.362 -0.000 -0.000) 2.362 2.000 ( -1.103 -0.000 -0.000) 1.103 2.041 ( 2.046 0.000 0.000) 2.046 2.092 ( -8.524 -0.000 -0.000) 8.524 2.133 ( -3.539 -0.000 -0.000) 3.539 2.348 ( 0.920 0.000 0.000) 0.920 2.469 ( -4.742 -0.000 -0.000) 4.742 2.482 ( 9.040 0.000 0.000) 9.040 2.756 ( -5.881 -0.000 -0.000) 5.881 2.777 ( -6.023 -0.000 -0.000) 6.023 2.835 ( 3.060 0.000 0.000) 3.060 2.854 ( 3.543 0.000 0.000) 3.543 2.876 ( 4.912 0.000 0.000) 4.912 2.964 ( 8.008 0.000 0.000) 8.008 2.977 ( 1.138 0.000 0.000) 1.138 3.344 ( -8.804 -0.000 -0.000) 8.804 3.617 ( -4.118 -0.000 -0.000) 4.118 3.855 ( -5.711 -0.000 -0.000) 5.711 4.132 ( 17.774 0.000 0.000) 17.774 4.352 ( 13.303 0.000 0.000) 13.303 4.459 ( 5.397 0.000 0.000) 5.397 5.718 ( -3.672 -0.000 -0.000) 3.672 5.849 ( -2.878 -0.000 -0.000) 2.878 6.002 ( -2.989 -0.000 -0.000) 2.989 6.013 ( -1.184 -0.000 -0.000) 1.184 6.294 ( -1.246 -0.000 -0.000) 1.246 6.367 ( 6.008 0.000 0.000) 6.008 6.606 ( 1.430 0.000 0.000) 1.430 6.785 ( -1.353 -0.000 -0.000) 1.353 7.674 ( 1.087 0.000 0.000) 1.087 7.725 ( -0.735 -0.000 -0.000) 0.735 7.734 ( 6.115 0.000 0.000) 6.115 7.875 ( 0.379 0.000 0.000) 0.379 7.903 ( 7.942 0.000 0.000) 7.942 8.182 ( -11.081 -0.000 -0.000) 11.081 8.335 ( 0.031 0.000 0.000) 0.031 8.577 ( -7.418 -0.000 -0.000) 7.418 8.847 ( 4.523 0.000 0.000) 4.523 8.866 ( 4.968 0.000 0.000) 4.968 9.002 ( -0.431 -0.000 -0.000) 0.431 9.034 ( 4.288 0.000 0.000) 4.288 9.147 ( 2.697 0.000 0.000) 2.697 9.559 ( -6.558 -0.000 -0.000) 6.558 9.686 ( 9.956 0.000 0.000) 9.956 9.750 ( -3.318 -0.000 -0.000) 3.318 ======================= Grid point 35 (32/65) ======================= q-point: ( 0.11 -0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( -12.873 10.143 -4.377) 16.963 0.902 ( -15.267 1.589 -6.639) 16.724 1.313 ( 3.699 -4.083 1.777) 5.789 1.337 ( -1.349 -2.694 0.612) 3.074 1.428 ( -1.284 0.547 -0.397) 1.451 1.455 ( -2.743 1.343 -0.973) 3.205 1.516 ( 0.998 2.384 -2.209) 3.399 1.595 ( -8.800 11.951 -6.197) 16.084 1.653 ( 0.606 0.686 -4.865) 4.951 1.792 ( 2.293 -1.458 -0.645) 2.793 1.917 ( -6.706 -2.183 1.686) 7.251 2.031 ( 0.583 1.088 0.052) 1.236 2.088 ( -0.763 -4.222 0.662) 4.341 2.116 ( -0.148 -8.979 -0.957) 9.031 2.223 ( -6.889 5.908 4.631) 10.189 2.419 ( 1.238 1.287 -3.487) 3.918 2.592 ( -4.502 -3.577 3.692) 6.833 2.651 ( -1.304 0.095 0.595) 1.436 2.803 ( -2.128 2.124 2.587) 3.966 2.825 ( 3.446 -0.772 0.662) 3.593 2.865 ( 0.006 0.306 -0.144) 0.339 2.936 ( 1.309 -1.429 -0.309) 1.963 2.957 ( 5.601 -0.178 0.085) 5.605 3.071 ( 0.451 7.559 -0.786) 7.613 3.192 ( -6.290 -7.056 0.244) 9.456 3.556 ( -2.784 -5.220 0.262) 5.922 3.985 ( -1.658 7.467 -1.019) 7.716 4.145 ( 15.372 0.890 0.294) 15.400 4.341 ( 12.727 -0.930 -0.446) 12.769 4.422 ( 5.457 -2.738 0.418) 6.119 5.728 ( -3.589 1.380 0.540) 3.883 5.814 ( -3.317 -2.679 -0.201) 4.268 6.031 ( -1.706 1.972 0.111) 2.610 6.033 ( -1.182 1.341 -0.167) 1.795 6.301 ( -0.010 -0.018 -1.155) 1.155 6.363 ( 4.845 0.582 1.456) 5.092 6.605 ( 0.931 -0.799 -0.945) 1.548 6.702 ( -3.104 -2.075 3.778) 5.311 7.685 ( 3.909 -0.039 0.693) 3.970 7.729 ( 2.407 -0.173 -1.659) 2.929 7.788 ( 5.953 2.232 -1.264) 6.482 7.865 ( 1.485 1.534 2.600) 3.364 7.943 ( 3.052 2.243 -1.240) 3.986 8.125 ( -9.544 -3.117 1.425) 10.141 8.377 ( -0.037 5.254 2.164) 5.683 8.579 ( -2.798 -5.015 -4.146) 7.083 8.714 ( -0.810 -2.819 -0.396) 2.960 8.870 ( -3.569 -4.339 2.628) 6.202 9.026 ( 4.998 4.947 -0.342) 7.040 9.086 ( 3.897 2.329 1.228) 4.703 9.189 ( 2.096 0.993 -3.496) 4.196 9.512 ( -3.240 -3.618 3.749) 6.135 9.652 ( 1.827 -1.196 -1.218) 2.501 9.709 ( 0.762 0.881 2.944) 3.167 ======================= Grid point 36 (33/65) ======================= q-point: ( 0.11 -0.61 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( -6.713 2.889 -3.529) 8.115 1.122 ( -6.713 -2.889 3.529) 8.115 1.164 ( -4.208 -5.501 1.853) 7.170 1.164 ( -4.208 5.501 -1.853) 7.170 1.459 ( -1.243 -0.367 -0.042) 1.296 1.459 ( -1.243 0.367 0.042) 1.296 1.659 ( 5.614 -5.593 1.391) 8.046 1.659 ( 5.614 5.593 -1.391) 8.046 1.838 ( 0.368 0.893 -4.201) 4.310 1.838 ( 0.368 -0.893 4.201) 4.310 1.867 ( -1.687 -5.999 -2.627) 6.763 1.867 ( -1.687 5.999 2.627) 6.763 2.084 ( -0.749 1.373 -1.745) 2.343 2.084 ( -0.749 -1.373 1.745) 2.343 2.341 ( -8.151 -8.543 3.164) 12.224 2.341 ( -8.151 8.543 -3.164) 12.224 2.609 ( -7.787 -5.525 2.786) 9.946 2.609 ( -7.787 5.525 -2.786) 9.946 2.785 ( 2.873 -0.553 -1.625) 3.347 2.785 ( 2.873 0.553 1.625) 3.347 2.885 ( -1.910 -3.539 -1.692) 4.363 2.885 ( -1.910 3.539 1.692) 4.363 2.976 ( 1.564 -3.436 -0.482) 3.806 2.976 ( 1.564 3.436 0.482) 3.806 3.377 ( -0.118 -10.350 0.264) 10.354 3.377 ( -0.118 10.350 -0.264) 10.354 4.126 ( 7.453 -2.920 0.545) 8.023 4.126 ( 7.453 2.920 -0.545) 8.023 4.353 ( 8.739 -0.817 0.057) 8.777 4.353 ( 8.739 0.817 -0.057) 8.777 5.761 ( -3.478 -2.538 -0.670) 4.357 5.761 ( -3.478 2.538 0.670) 4.357 6.055 ( -1.140 -0.048 -0.225) 1.163 6.055 ( -1.140 0.048 0.225) 1.163 6.335 ( 2.314 -1.193 -2.831) 3.846 6.335 ( 2.314 1.193 2.831) 3.846 6.620 ( -1.038 0.021 -2.233) 2.463 6.620 ( -1.038 -0.021 2.233) 2.463 7.700 ( 3.803 -3.921 -5.120) 7.487 7.700 ( 3.803 3.921 5.120) 7.487 7.856 ( 5.595 -1.358 -1.503) 5.950 7.856 ( 5.595 1.358 1.503) 5.950 8.023 ( -5.231 0.852 -1.634) 5.546 8.023 ( -5.231 -0.852 1.634) 5.546 8.481 ( 1.409 -8.343 -3.578) 9.187 8.481 ( 1.409 8.343 3.578) 9.187 8.751 ( -5.800 0.120 -1.167) 5.918 8.751 ( -5.800 -0.120 1.167) 5.918 9.090 ( 4.288 -0.502 -1.091) 4.454 9.090 ( 4.288 0.502 1.091) 4.454 9.327 ( -0.316 -0.698 -4.988) 5.047 9.327 ( -0.316 0.698 4.988) 5.047 9.678 ( 0.984 -0.953 -2.681) 3.010 9.678 ( 0.984 0.953 2.681) 3.010 ======================= Grid point 39 (34/65) ======================= q-point: ( 0.12 0.12 -0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.356 ( 0.000 -0.000 19.171) 19.171 0.384 ( 0.000 -0.000 20.681) 20.681 0.597 ( 0.000 -0.000 32.282) 32.282 1.396 ( -0.000 0.000 -0.951) 0.951 1.403 ( 0.000 -0.000 0.969) 0.969 1.449 ( 0.000 -0.000 2.813) 2.813 1.590 ( -0.000 0.000 -0.398) 0.398 1.599 ( 0.000 -0.000 0.809) 0.809 1.673 ( 0.000 -0.000 2.596) 2.596 1.710 ( -0.000 0.000 -2.669) 2.669 1.788 ( -0.000 0.000 -0.300) 0.300 1.946 ( -0.000 0.000 -3.607) 3.607 2.055 ( 0.000 -0.000 0.355) 0.355 2.091 ( -0.000 0.000 -1.718) 1.718 2.341 ( 0.000 -0.000 2.590) 2.590 2.549 ( -0.000 0.000 -2.670) 2.670 2.592 ( -0.000 0.000 -3.542) 3.542 2.805 ( -0.000 0.000 -0.362) 0.362 2.907 ( -0.000 0.000 -1.258) 1.258 2.925 ( -0.000 0.000 -0.586) 0.586 2.948 ( -0.000 0.000 -0.691) 0.691 2.971 ( -0.000 0.000 -1.021) 1.021 2.985 ( 0.000 -0.000 0.295) 0.295 3.069 ( -0.000 0.000 -5.575) 5.575 3.199 ( 0.000 -0.000 0.150) 0.150 3.480 ( -0.000 0.000 -0.389) 0.389 3.735 ( 0.000 -0.000 0.265) 0.265 4.521 ( -0.000 0.000 -0.822) 0.822 4.566 ( -0.000 0.000 -0.513) 0.513 4.626 ( 0.000 -0.000 0.504) 0.504 5.641 ( -0.000 0.000 -0.742) 0.742 5.787 ( -0.000 0.000 -0.448) 0.448 5.935 ( 0.000 -0.000 0.050) 0.050 5.985 ( 0.000 -0.000 0.099) 0.099 6.001 ( -0.000 0.000 -0.222) 0.222 6.277 ( 0.000 -0.000 2.086) 2.086 6.547 ( 0.000 -0.000 0.099) 0.099 6.699 ( 0.000 -0.000 0.776) 0.776 7.611 ( 0.000 -0.000 1.445) 1.445 7.802 ( -0.000 0.000 -1.786) 1.786 7.804 ( -0.000 0.000 -1.832) 1.832 8.005 ( 0.000 -0.000 5.511) 5.511 8.039 ( -0.000 0.000 -4.316) 4.316 8.265 ( 0.000 -0.000 0.068) 0.068 8.344 ( -0.000 0.000 -0.091) 0.091 8.359 ( -0.000 0.000 -0.179) 0.179 8.408 ( 0.000 -0.000 0.963) 0.963 8.977 ( -0.000 0.000 -1.058) 1.058 9.150 ( 0.000 -0.000 0.058) 0.058 9.176 ( 0.000 -0.000 2.068) 2.068 9.205 ( 0.000 -0.000 1.982) 1.982 9.254 ( 0.000 -0.000 1.230) 1.230 9.540 ( 0.000 -0.000 0.099) 0.099 9.880 ( -0.000 0.000 -1.690) 1.690 ======================= Grid point 40 (35/65) ======================= q-point: ( 0.12 -0.13 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.465 ( 0.000 20.215 0.000) 20.215 0.511 ( 0.000 21.821 0.000) 21.821 0.784 ( 0.000 34.030 0.000) 34.030 1.393 ( -0.000 -0.987 -0.000) 0.987 1.397 ( 0.000 0.313 0.000) 0.313 1.445 ( 0.000 1.992 0.000) 1.992 1.451 ( -0.000 -5.466 -0.000) 5.466 1.515 ( -0.000 -5.408 -0.000) 5.408 1.729 ( 0.000 3.924 0.000) 3.924 1.798 ( 0.000 3.756 0.000) 3.756 1.885 ( 0.000 4.921 0.000) 4.921 2.059 ( 0.000 0.684 0.000) 0.684 2.087 ( -0.000 -0.638 -0.000) 0.638 2.106 ( -0.000 -14.534 -0.000) 14.534 2.116 ( 0.000 1.673 0.000) 1.673 2.433 ( -0.000 -2.707 -0.000) 2.707 2.458 ( -0.000 -6.494 -0.000) 6.494 2.688 ( -0.000 -15.129 -0.000) 15.129 2.717 ( 0.000 4.826 0.000) 4.826 2.862 ( -0.000 -0.241 -0.000) 0.241 2.916 ( -0.000 -0.342 -0.000) 0.342 2.937 ( -0.000 -1.529 -0.000) 1.529 3.013 ( 0.000 2.847 0.000) 2.847 3.083 ( 0.000 7.956 0.000) 7.956 3.168 ( -0.000 -2.427 -0.000) 2.427 3.438 ( -0.000 -4.068 -0.000) 4.068 3.939 ( 0.000 14.216 0.000) 14.216 4.465 ( -0.000 -6.817 -0.000) 6.817 4.570 ( 0.000 0.267 0.000) 0.267 4.602 ( -0.000 -1.465 -0.000) 1.465 5.662 ( 0.000 1.223 0.000) 1.223 5.720 ( -0.000 -2.927 -0.000) 2.927 6.000 ( 0.000 0.952 0.000) 0.952 6.015 ( 0.000 0.752 0.000) 0.752 6.263 ( 0.000 0.176 0.000) 0.176 6.532 ( -0.000 -1.498 -0.000) 1.498 6.673 ( -0.000 -1.649 -0.000) 1.649 6.685 ( 0.000 0.333 0.000) 0.333 7.614 ( 0.000 1.536 0.000) 1.536 7.795 ( -0.000 -1.786 -0.000) 1.786 7.870 ( -0.000 -6.058 -0.000) 6.058 7.932 ( -0.000 -0.973 -0.000) 0.973 8.162 ( 0.000 5.392 0.000) 5.392 8.267 ( 0.000 0.175 0.000) 0.175 8.365 ( 0.000 1.109 0.000) 1.109 8.477 ( 0.000 7.609 0.000) 7.609 8.523 ( -0.000 -1.366 -0.000) 1.366 8.800 ( -0.000 -11.066 -0.000) 11.066 9.129 ( -0.000 -2.586 -0.000) 2.586 9.160 ( 0.000 0.975 0.000) 0.975 9.184 ( -0.000 -0.197 -0.000) 0.197 9.391 ( 0.000 8.934 0.000) 8.934 9.579 ( -0.000 -1.834 -0.000) 1.834 9.870 ( -0.000 -2.174 -0.000) 2.174 ======================= Grid point 41 (36/65) ======================= q-point: ( 0.12 -0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( 0.000 16.085 -1.414) 16.147 0.982 ( 0.000 12.902 -2.724) 13.186 1.187 ( 0.000 -1.870 8.847) 9.043 1.292 ( -0.000 -7.854 6.926) 10.471 1.414 ( 0.000 3.720 -0.926) 3.833 1.438 ( -0.000 -0.077 0.131) 0.152 1.584 ( 0.000 16.849 -8.825) 19.021 1.654 ( 0.000 3.941 -9.868) 10.626 1.791 ( 0.000 0.201 -0.356) 0.409 1.793 ( -0.000 -8.155 -1.049) 8.222 1.886 ( -0.000 -1.154 -1.933) 2.252 1.976 ( 0.000 5.726 1.651) 5.959 2.046 ( -0.000 -3.518 3.001) 4.624 2.054 ( 0.000 -0.298 1.741) 1.767 2.174 ( 0.000 6.416 3.155) 7.150 2.208 ( -0.000 -9.585 6.643) 11.661 2.399 ( -0.000 -2.833 -4.015) 4.914 2.449 ( -0.000 -3.360 -2.951) 4.472 2.769 ( -0.000 -7.230 -1.053) 7.306 2.815 ( 0.000 4.886 0.944) 4.976 2.908 ( -0.000 -0.050 -0.074) 0.089 2.916 ( -0.000 -0.612 0.249) 0.660 3.089 ( 0.000 3.759 -0.001) 3.759 3.092 ( -0.000 -3.902 0.185) 3.906 3.286 ( 0.000 7.673 -0.863) 7.722 3.306 ( -0.000 -7.564 0.034) 7.564 4.241 ( 0.000 11.620 -0.190) 11.621 4.249 ( -0.000 -12.018 0.183) 12.019 4.572 ( -0.000 -1.608 -0.565) 1.704 4.590 ( 0.000 1.628 0.240) 1.645 5.663 ( -0.000 -2.465 -0.719) 2.567 5.694 ( 0.000 2.178 0.656) 2.274 6.012 ( -0.000 -0.079 -0.151) 0.170 6.019 ( -0.000 -0.314 0.178) 0.361 6.267 ( -0.000 -3.082 -3.412) 4.598 6.443 ( -0.000 -1.803 3.986) 4.375 6.627 ( -0.000 -3.068 -0.751) 3.159 6.681 ( 0.000 2.539 1.975) 3.217 7.674 ( 0.000 2.130 -1.510) 2.611 7.729 ( -0.000 -3.055 0.410) 3.082 7.782 ( -0.000 -3.677 -2.554) 4.477 7.893 ( 0.000 0.018 1.084) 1.084 8.262 ( 0.000 4.008 0.389) 4.027 8.263 ( -0.000 -1.417 0.572) 1.528 8.378 ( -0.000 -1.074 -1.030) 1.488 8.455 ( -0.000 -0.959 2.705) 2.870 8.584 ( -0.000 -9.765 -2.080) 9.984 8.700 ( 0.000 13.140 3.040) 13.487 9.083 ( -0.000 -3.699 -3.590) 5.155 9.180 ( -0.000 -0.820 -0.442) 0.931 9.190 ( 0.000 1.851 0.516) 1.922 9.348 ( 0.000 3.096 10.330) 10.784 9.692 ( 0.000 2.035 -5.607) 5.965 9.792 ( -0.000 -3.848 0.934) 3.960 ======================= Grid point 42 (37/65) ======================= q-point: ( 0.12 0.37 -0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( -0.000 -4.639 16.290) 16.938 0.839 ( -0.000 -11.278 13.261) 17.408 1.254 ( 0.000 9.899 -2.019) 10.103 1.334 ( -0.000 -6.121 10.281) 11.965 1.410 ( 0.000 4.146 3.017) 5.128 1.462 ( 0.000 1.965 1.024) 2.216 1.500 ( -0.000 -5.121 5.961) 7.859 1.666 ( -0.000 -6.298 -1.368) 6.445 1.727 ( 0.000 -1.069 4.252) 4.384 1.749 ( -0.000 -4.352 -1.515) 4.608 1.880 ( -0.000 -2.758 0.543) 2.811 1.909 ( -0.000 -3.881 -8.098) 8.980 2.050 ( 0.000 1.188 -0.493) 1.286 2.066 ( 0.000 0.135 0.303) 0.331 2.218 ( 0.000 10.774 2.816) 11.136 2.356 ( 0.000 7.439 -3.965) 8.430 2.611 ( 0.000 10.909 -3.541) 11.469 2.618 ( 0.000 12.530 -3.003) 12.885 2.646 ( -0.000 -3.074 -3.476) 4.640 2.863 ( -0.000 -0.770 -0.032) 0.770 2.905 ( -0.000 -0.179 -0.256) 0.312 2.937 ( 0.000 2.489 0.041) 2.489 3.008 ( -0.000 -3.330 -0.218) 3.337 3.122 ( -0.000 -7.598 0.261) 7.603 3.165 ( 0.000 2.670 -0.023) 2.671 3.428 ( 0.000 3.900 -0.546) 3.938 3.944 ( -0.000 -14.062 0.249) 14.064 4.445 ( 0.000 5.855 -0.770) 5.906 4.558 ( -0.000 -0.545 -0.634) 0.836 4.620 ( 0.000 1.373 0.505) 1.463 5.638 ( -0.000 -1.233 -1.006) 1.591 5.735 ( 0.000 2.462 0.513) 2.515 6.001 ( -0.000 -0.950 0.048) 0.951 6.006 ( -0.000 -0.707 -0.363) 0.795 6.212 ( -0.000 -13.371 -8.684) 15.944 6.340 ( -0.000 -1.040 3.475) 3.627 6.572 ( -0.000 -2.394 -0.352) 2.420 6.700 ( 0.000 1.462 1.154) 1.862 7.665 ( -0.000 -1.898 1.234) 2.264 7.747 ( 0.000 1.795 -1.491) 2.334 7.782 ( -0.000 -1.751 -3.837) 4.218 7.923 ( 0.000 2.359 -1.473) 2.781 8.165 ( -0.000 -3.839 3.129) 4.953 8.309 ( 0.000 -0.217 0.859) 0.886 8.360 ( -0.000 -2.214 -2.563) 3.387 8.379 ( -0.000 -2.474 0.785) 2.596 8.463 ( -0.000 -4.138 -0.741) 4.204 8.896 ( 0.000 8.888 2.923) 9.356 9.131 ( 0.000 2.678 -3.043) 4.054 9.164 ( -0.000 -0.937 -0.343) 0.998 9.207 ( 0.000 1.628 2.448) 2.940 9.250 ( 0.000 0.978 4.892) 4.989 9.670 ( -0.000 -5.835 0.693) 5.876 9.814 ( 0.000 1.691 -3.235) 3.650 ======================= Grid point 43 (38/65) ======================= q-point: ( 0.14 0.36 -0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( 8.899 0.000 10.886) 14.061 1.111 ( 13.595 0.000 10.904) 17.428 1.365 ( -0.013 -0.000 1.261) 1.261 1.396 ( -4.768 -0.000 -0.248) 4.774 1.451 ( -0.083 -0.000 1.431) 1.434 1.468 ( -1.321 -0.000 0.906) 1.602 1.517 ( 0.209 0.000 2.693) 2.701 1.566 ( 9.466 0.000 10.648) 14.247 1.769 ( 1.069 0.000 2.620) 2.830 1.818 ( 2.785 0.000 4.051) 4.916 1.953 ( 10.157 0.000 -3.995) 10.914 1.990 ( 5.617 0.000 -1.954) 5.948 2.025 ( -0.217 -0.000 -0.635) 0.671 2.060 ( 0.513 0.000 -1.731) 1.805 2.397 ( -1.794 -0.000 1.006) 2.057 2.469 ( -8.285 -0.000 -0.595) 8.307 2.490 ( 2.099 0.000 -1.385) 2.515 2.627 ( 4.333 0.000 -6.102) 7.483 2.639 ( 5.135 0.000 -6.417) 8.219 2.812 ( -4.567 -0.000 -1.143) 4.708 2.867 ( -4.867 -0.000 -0.681) 4.914 2.893 ( -0.459 -0.000 1.747) 1.806 2.959 ( -7.740 -0.000 0.122) 7.741 3.019 ( -0.298 -0.000 1.435) 1.466 3.341 ( 9.393 0.000 -0.098) 9.394 3.604 ( 3.986 0.000 -0.539) 4.022 3.902 ( 5.984 0.000 1.541) 6.179 4.124 ( -17.705 -0.000 -0.273) 17.707 4.361 ( -13.004 -0.000 0.440) 13.012 4.446 ( -5.557 -0.000 -0.674) 5.597 5.701 ( 3.729 0.000 -0.725) 3.799 5.848 ( 3.169 0.000 -0.022) 3.169 5.994 ( 2.877 0.000 -0.282) 2.891 6.020 ( 1.344 0.000 0.287) 1.374 6.276 ( 0.006 0.000 -2.185) 2.185 6.364 ( -1.157 -0.000 1.459) 1.862 6.634 ( -1.322 -0.000 1.143) 1.748 6.634 ( 5.836 0.000 -4.544) 7.396 7.587 ( -0.760 -0.000 -3.243) 3.331 7.706 ( -6.959 -0.000 -4.805) 8.457 7.839 ( 3.447 0.000 4.756) 5.873 7.900 ( -7.349 -0.000 4.614) 8.677 7.971 ( -3.987 -0.000 4.000) 5.648 8.138 ( 10.248 0.000 -1.900) 10.422 8.258 ( -1.278 -0.000 -3.557) 3.780 8.666 ( 7.274 0.000 2.609) 7.727 8.816 ( 1.908 0.000 -1.945) 2.724 8.879 ( -4.783 -0.000 0.721) 4.837 8.976 ( -0.546 -0.000 -1.262) 1.375 8.985 ( -6.781 -0.000 -0.589) 6.807 9.234 ( 0.467 0.000 2.673) 2.713 9.551 ( 2.662 0.000 -5.507) 6.117 9.564 ( -1.378 -0.000 -0.171) 1.388 9.694 ( -1.489 -0.000 0.603) 1.607 ======================= Grid point 45 (39/65) ======================= q-point: ( 0.14 -0.14 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( 6.657 10.101 0.000) 12.097 1.117 ( 9.986 12.809 0.000) 16.242 1.283 ( -1.757 -0.981 -0.000) 2.013 1.381 ( -0.719 2.225 0.000) 2.338 1.433 ( 1.574 -0.783 0.000) 1.758 1.462 ( 4.075 0.678 0.000) 4.131 1.496 ( 0.170 4.009 0.000) 4.013 1.699 ( -4.611 5.875 -0.000) 7.468 1.711 ( -5.040 -4.572 -0.000) 6.805 1.791 ( 2.474 -10.895 -0.000) 11.172 1.821 ( 5.606 11.369 0.000) 12.676 1.948 ( 3.397 2.968 0.000) 4.511 2.051 ( -0.717 0.911 -0.000) 1.159 2.125 ( 2.384 -0.825 0.000) 2.522 2.339 ( -0.526 -1.602 -0.000) 1.686 2.433 ( 7.968 -1.870 0.000) 8.184 2.535 ( 9.247 2.536 0.000) 9.589 2.638 ( 8.215 -6.278 0.000) 10.339 2.752 ( -2.686 -3.245 -0.000) 4.212 2.830 ( 1.183 -6.038 -0.000) 6.152 2.838 ( -1.098 1.644 0.000) 1.977 2.920 ( 1.191 2.535 0.000) 2.801 2.967 ( -2.413 -3.389 -0.000) 4.160 2.993 ( -0.017 3.530 0.000) 3.530 3.369 ( 0.551 10.245 0.000) 10.259 3.381 ( 0.003 -10.436 -0.000) 10.436 4.112 ( -7.951 3.329 -0.000) 8.620 4.139 ( -7.001 -2.564 -0.000) 7.455 4.332 ( -8.816 1.440 -0.000) 8.933 4.371 ( -8.525 -1.369 -0.000) 8.634 5.745 ( 3.608 -2.783 0.000) 4.557 5.776 ( 3.392 2.300 0.000) 4.099 6.050 ( 0.836 0.027 0.000) 0.836 6.061 ( 1.426 0.177 0.000) 1.437 6.264 ( 0.108 -1.517 -0.000) 1.520 6.398 ( -4.444 0.746 -0.000) 4.507 6.573 ( 0.422 -1.012 -0.000) 1.096 6.679 ( 0.661 -1.938 -0.000) 2.048 7.559 ( -4.504 -4.037 -0.000) 6.048 7.726 ( -4.790 -2.445 -0.000) 5.378 7.899 ( -4.604 4.721 -0.000) 6.594 7.936 ( 7.927 3.345 0.000) 8.604 8.026 ( -9.503 2.899 -0.000) 9.935 8.074 ( 6.374 -2.133 0.000) 6.722 8.365 ( 0.098 -8.229 -0.000) 8.229 8.553 ( -1.997 8.501 0.000) 8.732 8.704 ( 5.318 1.040 0.000) 5.419 8.803 ( 6.288 -3.310 0.000) 7.106 9.050 ( -3.426 -2.112 -0.000) 4.025 9.113 ( -4.628 -0.929 -0.000) 4.720 9.206 ( 0.716 3.627 0.000) 3.697 9.543 ( 0.838 -0.166 0.000) 0.854 9.546 ( -7.374 -3.634 -0.000) 8.221 9.736 ( 2.545 -0.432 0.000) 2.582 ======================= Grid point 46 (40/65) ======================= q-point: ( 0.14 0.61 -0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( 3.372 -2.096 6.618) 7.717 1.243 ( 5.220 4.171 6.267) 9.161 1.277 ( 0.731 5.661 5.174) 7.704 1.346 ( 5.215 6.630 1.219) 8.523 1.469 ( 2.027 0.543 0.585) 2.179 1.512 ( 0.955 3.107 0.528) 3.293 1.552 ( -4.808 -5.271 1.333) 7.258 1.682 ( -1.327 -2.770 -5.186) 6.027 1.722 ( 2.495 3.478 -3.661) 5.632 1.847 ( -1.701 4.184 -2.185) 5.017 1.921 ( 2.097 0.618 4.536) 5.035 2.036 ( 4.121 -4.678 1.715) 6.466 2.074 ( -0.423 0.629 0.266) 0.804 2.133 ( 0.440 12.004 0.816) 12.040 2.196 ( 7.719 -8.267 5.535) 12.592 2.395 ( 4.873 3.951 -5.603) 8.412 2.446 ( 3.870 -6.932 -3.486) 8.671 2.599 ( 1.314 -1.584 -1.227) 2.396 2.676 ( 3.925 -7.458 -2.684) 8.846 2.783 ( -6.206 0.920 -1.057) 6.363 2.892 ( 0.760 1.601 0.678) 1.898 2.948 ( -5.502 0.359 0.220) 5.518 2.961 ( -0.587 0.055 0.220) 0.629 3.102 ( 0.455 -6.028 0.591) 6.074 3.184 ( 6.337 7.019 -0.089) 9.457 3.542 ( 2.928 4.943 -0.352) 5.756 4.023 ( 2.338 -6.485 0.667) 6.926 4.132 ( -15.682 -0.697 -0.271) 15.700 4.362 ( -12.115 0.618 0.585) 12.145 4.399 ( -5.760 2.731 -0.686) 6.411 5.704 ( 3.650 -1.342 -0.531) 3.925 5.823 ( 3.299 1.981 0.214) 3.854 6.024 ( 1.467 -2.213 -0.182) 2.661 6.042 ( 1.495 -1.239 0.211) 1.953 6.252 ( 1.056 -1.294 -2.096) 2.680 6.392 ( -1.822 0.306 1.679) 2.496 6.574 ( 3.034 -0.252 -1.996) 3.640 6.649 ( -0.729 0.104 0.963) 1.212 7.538 ( -2.513 -1.117 -3.276) 4.277 7.678 ( -5.821 -3.256 -2.592) 7.156 7.917 ( 3.230 0.283 3.060) 4.459 7.983 ( -4.926 1.201 5.851) 7.742 8.028 ( 0.482 0.973 1.540) 1.884 8.062 ( 1.918 2.468 -0.651) 3.193 8.255 ( -0.420 -5.402 -4.019) 6.746 8.718 ( 4.793 1.560 2.129) 5.472 8.733 ( -1.816 4.125 0.527) 4.538 8.774 ( 4.706 3.423 -1.425) 5.991 9.001 ( -1.800 -3.523 -1.811) 4.351 9.062 ( -6.325 -3.319 0.221) 7.146 9.272 ( 5.152 0.218 -0.270) 5.164 9.447 ( -5.300 1.928 2.211) 6.058 9.585 ( -4.759 -1.708 -2.921) 5.840 9.713 ( 3.326 -0.473 0.973) 3.498 ======================= Grid point 47 (41/65) ======================= q-point: ( 0.15 0.60 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( -0.754 -0.000 0.159) 0.771 1.287 ( -2.439 -0.000 0.568) 2.505 1.393 ( 7.737 0.000 3.234) 8.386 1.440 ( -1.519 -0.000 0.070) 1.520 1.461 ( -3.035 -0.000 0.249) 3.045 1.522 ( -0.649 -0.000 3.121) 3.188 1.571 ( -1.109 -0.000 -4.881) 5.005 1.666 ( 3.410 0.000 2.139) 4.025 1.768 ( -6.066 -0.000 -2.500) 6.561 1.811 ( -0.211 -0.000 2.071) 2.082 2.067 ( -0.405 -0.000 2.005) 2.046 2.076 ( -2.215 -0.000 0.696) 2.322 2.286 ( 10.238 0.000 -1.466) 10.342 2.303 ( 2.318 0.000 -0.211) 2.328 2.341 ( -1.397 -0.000 0.562) 1.506 2.427 ( 4.701 0.000 1.238) 4.861 2.477 ( -6.755 -0.000 -2.423) 7.177 2.555 ( -6.630 -0.000 0.565) 6.654 2.641 ( 2.248 0.000 -4.855) 5.350 2.761 ( 4.019 0.000 -1.664) 4.350 2.924 ( -0.344 -0.000 1.387) 1.429 2.961 ( 17.986 0.000 0.639) 17.997 3.017 ( -1.855 -0.000 1.910) 2.663 3.135 ( 17.909 0.000 0.559) 17.918 3.319 ( -20.907 -0.000 -0.329) 20.910 3.452 ( -11.686 -0.000 0.034) 11.686 3.706 ( 2.065 0.000 -0.448) 2.113 3.797 ( -8.057 -0.000 0.386) 8.067 4.148 ( 4.992 0.000 0.838) 5.062 4.217 ( -5.650 -0.000 -0.608) 5.682 5.841 ( 3.198 0.000 -0.613) 3.256 5.911 ( -0.832 -0.000 0.550) 0.998 6.101 ( 2.856 0.000 0.413) 2.885 6.142 ( -3.631 -0.000 -0.509) 3.666 6.155 ( 5.334 0.000 -0.149) 5.336 6.273 ( -5.347 -0.000 0.567) 5.377 6.699 ( -0.231 -0.000 -1.434) 1.453 6.711 ( 3.012 0.000 0.879) 3.138 7.493 ( 1.156 0.000 -2.996) 3.211 7.575 ( 1.874 0.000 -2.044) 2.773 7.709 ( -5.159 -0.000 2.928) 5.932 7.774 ( -4.671 -0.000 3.654) 5.931 8.094 ( -2.862 -0.000 -3.341) 4.399 8.151 ( 4.461 0.000 2.766) 5.249 8.502 ( 9.302 0.000 -2.210) 9.561 8.737 ( -4.752 -0.000 1.442) 4.966 8.817 ( -0.403 -0.000 -0.460) 0.612 8.836 ( 0.927 0.000 0.874) 1.274 8.914 ( -1.399 -0.000 -2.019) 2.456 8.967 ( 2.440 0.000 1.287) 2.758 9.158 ( -0.804 -0.000 1.815) 1.985 9.203 ( -8.317 -0.000 -0.915) 8.367 9.640 ( 4.665 0.000 -3.737) 5.977 9.811 ( 0.505 0.000 2.342) 2.396 ======================= Grid point 50 (42/65) ======================= q-point: ( 0.15 -0.15 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( 2.141 0.078 0.000) 2.142 1.350 ( -3.721 -3.915 -0.000) 5.401 1.398 ( -2.069 2.793 -0.000) 3.476 1.436 ( 4.937 1.188 0.000) 5.078 1.447 ( -1.564 1.179 -0.000) 1.959 1.515 ( -1.600 -1.389 -0.000) 2.119 1.543 ( -2.415 7.588 0.000) 7.963 1.581 ( -0.179 -0.911 -0.000) 0.928 1.721 ( 1.979 2.976 0.000) 3.574 1.906 ( -3.073 -4.630 -0.000) 5.556 2.004 ( -4.328 3.507 -0.000) 5.571 2.007 ( 4.895 9.834 0.000) 10.985 2.108 ( -0.117 5.480 0.000) 5.481 2.195 ( 1.788 -0.368 0.000) 1.825 2.447 ( -2.203 0.921 -0.000) 2.388 2.519 ( 1.370 1.828 0.000) 2.284 2.529 ( 6.976 -6.162 0.000) 9.308 2.687 ( 2.288 -15.295 -0.000) 15.465 2.771 ( -5.641 -9.064 -0.000) 10.676 2.814 ( 4.559 -5.156 0.000) 6.882 2.900 ( 3.457 2.034 0.000) 4.011 3.019 ( 10.021 -3.179 0.000) 10.513 3.044 ( -0.977 -2.446 -0.000) 2.634 3.118 ( 15.850 1.460 0.000) 15.917 3.321 ( -17.318 0.513 -0.000) 17.325 3.388 ( -5.983 6.237 -0.000) 8.643 3.656 ( -1.149 3.430 0.000) 3.617 3.736 ( -9.610 4.573 -0.000) 10.643 4.174 ( 2.412 -1.302 0.000) 2.740 4.198 ( -4.418 1.157 -0.000) 4.567 5.838 ( 2.771 -0.410 0.000) 2.801 5.907 ( -0.064 0.685 0.000) 0.688 6.104 ( 0.238 1.933 0.000) 1.948 6.107 ( 2.101 -0.094 0.000) 2.103 6.169 ( 0.320 -0.740 -0.000) 0.806 6.258 ( -4.730 1.558 -0.000) 4.980 6.682 ( 0.622 0.339 0.000) 0.708 6.725 ( 2.635 -0.529 0.000) 2.688 7.435 ( 0.642 1.554 0.000) 1.681 7.582 ( 0.788 -1.582 -0.000) 1.768 7.727 ( -4.878 0.676 -0.000) 4.925 7.799 ( -4.019 1.098 -0.000) 4.166 8.119 ( -1.478 -4.556 -0.000) 4.790 8.242 ( 4.314 -4.868 0.000) 6.505 8.428 ( 7.038 3.706 0.000) 7.954 8.658 ( -1.804 5.502 0.000) 5.790 8.845 ( 1.327 -1.811 0.000) 2.246 8.905 ( -1.989 -1.531 -0.000) 2.510 8.926 ( 0.301 -4.001 -0.000) 4.012 8.981 ( 2.117 -0.348 0.000) 2.145 9.151 ( -7.018 3.643 -0.000) 7.908 9.160 ( -3.361 1.127 -0.000) 3.545 9.617 ( 4.031 -1.082 0.000) 4.174 9.830 ( 0.791 0.214 0.000) 0.819 ======================= Grid point 51 (43/65) ======================= q-point: ( 0.17 -0.17 -0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( -17.521 -0.000 -0.000) 17.521 1.221 ( -16.171 -0.000 -0.000) 16.171 1.313 ( 3.558 0.000 0.000) 3.558 1.344 ( -1.573 -0.000 -0.000) 1.573 1.351 ( 5.002 0.000 0.000) 5.002 1.442 ( -1.341 -0.000 -0.000) 1.341 1.484 ( -2.282 -0.000 -0.000) 2.282 1.591 ( -10.265 -0.000 -0.000) 10.265 1.708 ( 0.833 0.000 0.000) 0.833 1.789 ( -4.002 -0.000 -0.000) 4.002 1.993 ( 1.988 0.000 0.000) 1.988 2.016 ( -0.698 -0.000 -0.000) 0.698 2.229 ( -6.518 -0.000 -0.000) 6.518 2.318 ( -11.106 -0.000 -0.000) 11.106 2.318 ( 1.309 0.000 0.000) 1.309 2.342 ( 5.082 0.000 0.000) 5.082 2.622 ( -10.241 -0.000 -0.000) 10.241 2.744 ( 8.322 0.000 0.000) 8.322 2.759 ( 5.950 0.000 0.000) 5.950 2.764 ( 4.357 0.000 0.000) 4.357 2.830 ( -1.613 -0.000 -0.000) 1.613 2.889 ( -3.418 -0.000 -0.000) 3.418 2.894 ( -5.392 -0.000 -0.000) 5.392 2.945 ( 1.988 0.000 0.000) 1.988 3.474 ( -4.115 -0.000 -0.000) 4.115 3.687 ( -3.071 -0.000 -0.000) 3.071 3.755 ( 20.820 0.000 0.000) 20.820 3.974 ( -6.461 -0.000 -0.000) 6.461 4.056 ( 16.639 0.000 0.000) 16.639 4.350 ( 5.634 0.000 0.000) 5.634 5.799 ( -4.404 -0.000 -0.000) 4.404 5.886 ( -0.832 -0.000 -0.000) 0.832 6.039 ( -1.539 -0.000 -0.000) 1.539 6.071 ( -4.296 -0.000 -0.000) 4.296 6.259 ( 5.109 0.000 0.000) 5.109 6.300 ( 1.002 0.000 0.000) 1.002 6.610 ( -1.678 -0.000 -0.000) 1.678 6.795 ( 0.359 0.000 0.000) 0.359 7.642 ( 3.455 0.000 0.000) 3.455 7.651 ( 6.303 0.000 0.000) 6.303 7.677 ( -1.359 -0.000 -0.000) 1.359 7.765 ( 5.882 0.000 0.000) 5.882 7.931 ( -4.289 -0.000 -0.000) 4.289 8.312 ( 2.227 0.000 0.000) 2.227 8.401 ( -11.412 -0.000 -0.000) 11.412 8.683 ( -1.726 -0.000 -0.000) 1.726 8.788 ( 0.073 0.000 0.000) 0.073 8.807 ( 1.373 0.000 0.000) 1.373 8.956 ( 3.733 0.000 0.000) 3.733 9.007 ( 0.001 0.000 0.000) 0.001 9.090 ( 2.550 0.000 0.000) 2.550 9.473 ( 11.649 0.000 0.000) 11.649 9.650 ( -2.866 -0.000 -0.000) 2.866 9.804 ( -2.216 -0.000 -0.000) 2.216 ======================= Grid point 53 (44/65) ======================= q-point: ( 0.17 -0.67 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( -4.844 -0.056 -2.932) 5.662 1.218 ( -4.844 0.056 2.932) 5.662 1.310 ( -8.251 -5.863 0.590) 10.139 1.310 ( -8.251 5.863 -0.590) 10.139 1.477 ( -0.203 0.337 -1.648) 1.694 1.477 ( -0.203 -0.337 1.648) 1.694 1.555 ( 4.796 -5.810 1.335) 7.651 1.555 ( 4.796 5.810 -1.335) 7.651 1.805 ( 1.425 0.812 -5.310) 5.557 1.805 ( 1.425 -0.812 5.310) 5.557 1.930 ( -2.761 -0.982 -1.444) 3.267 1.930 ( -2.761 0.982 1.444) 3.267 2.086 ( -0.047 0.695 -2.742) 2.829 2.086 ( -0.047 -0.695 2.742) 2.829 2.478 ( -5.621 -1.745 -0.369) 5.898 2.478 ( -5.621 1.745 0.369) 5.898 2.697 ( -0.473 0.743 -2.647) 2.790 2.697 ( -0.473 -0.743 2.647) 2.790 2.810 ( -4.497 -1.348 0.286) 4.703 2.810 ( -4.497 1.348 -0.286) 4.703 2.915 ( -2.404 -3.648 -1.115) 4.509 2.915 ( -2.404 3.648 1.115) 4.509 3.010 ( -5.680 -13.198 -0.782) 14.390 3.010 ( -5.680 13.198 0.782) 14.390 3.340 ( 4.032 -12.442 0.141) 13.080 3.340 ( 4.032 12.442 -0.141) 13.080 3.907 ( 14.338 -3.854 -0.958) 14.878 3.907 ( 14.338 3.854 0.958) 14.878 4.230 ( 3.907 -4.090 0.815) 5.714 4.230 ( 3.907 4.090 -0.815) 5.714 5.827 ( -3.133 -2.093 -0.672) 3.827 5.827 ( -3.133 2.093 0.672) 3.827 6.075 ( -0.958 0.227 -0.523) 1.115 6.075 ( -0.958 -0.227 0.523) 1.115 6.270 ( 3.902 -1.689 -1.439) 4.489 6.270 ( 3.902 1.689 1.439) 4.489 6.663 ( -2.854 1.255 -1.906) 3.654 6.663 ( -2.854 -1.255 1.906) 3.654 7.620 ( 4.041 -3.022 -6.049) 7.877 7.620 ( 4.041 3.022 6.049) 7.877 7.742 ( 4.722 -2.579 -2.327) 5.862 7.742 ( 4.722 2.579 2.327) 5.862 8.162 ( -7.160 -1.052 0.200) 7.239 8.162 ( -7.160 1.052 -0.200) 7.239 8.464 ( 0.274 -7.048 -3.103) 7.706 8.464 ( 0.274 7.048 3.103) 7.706 8.849 ( -4.291 -0.063 -1.663) 4.603 8.849 ( -4.291 0.063 1.663) 4.603 9.015 ( 3.084 -0.123 -0.647) 3.154 9.015 ( 3.084 0.123 0.647) 3.154 9.248 ( 7.175 2.630 -3.174) 8.275 9.248 ( 7.175 -2.630 3.174) 8.275 9.701 ( -2.419 -1.458 -4.128) 5.002 9.701 ( -2.419 1.458 4.128) 5.002 ======================= Grid point 60 (45/65) ======================= q-point: ( 0.19 0.31 -0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( 5.986 0.000 15.825) 16.920 0.862 ( 10.890 0.000 15.946) 19.310 1.278 ( 10.401 0.000 20.286) 22.797 1.381 ( 1.554 0.000 2.896) 3.287 1.427 ( 0.208 0.000 1.025) 1.046 1.506 ( -1.722 -0.000 2.388) 2.944 1.529 ( -3.249 -0.000 0.887) 3.368 1.545 ( -3.357 -0.000 -2.116) 3.968 1.718 ( 6.406 0.000 -3.210) 7.166 1.749 ( 0.773 0.000 3.017) 3.114 1.837 ( 2.776 0.000 1.557) 3.183 1.892 ( 4.028 0.000 -4.625) 6.133 2.047 ( -1.201 -0.000 -1.413) 1.854 2.062 ( -0.236 -0.000 -0.020) 0.236 2.384 ( 0.496 0.000 1.651) 1.723 2.535 ( 4.094 0.000 -4.618) 6.171 2.543 ( 4.166 0.000 -6.365) 7.608 2.649 ( -9.997 -0.000 -1.020) 10.048 2.650 ( -14.145 -0.000 -4.847) 14.952 2.876 ( -1.786 -0.000 -0.317) 1.814 2.900 ( -0.447 -0.000 0.051) 0.450 2.929 ( -1.668 -0.000 -1.111) 2.004 3.012 ( 0.461 0.000 0.635) 0.785 3.116 ( -7.208 -0.000 -0.016) 7.208 3.142 ( 10.715 0.000 -0.386) 10.722 3.523 ( 4.193 0.000 -0.492) 4.222 3.797 ( 4.692 0.000 0.597) 4.730 4.400 ( -10.353 -0.000 -0.526) 10.366 4.520 ( -3.695 -0.000 -0.781) 3.776 4.570 ( -6.546 -0.000 0.415) 6.559 5.644 ( 2.034 0.000 -0.849) 2.205 5.790 ( 2.226 0.000 -0.036) 2.227 5.951 ( 1.550 0.000 -0.099) 1.553 5.997 ( 0.949 0.000 0.185) 0.967 6.186 ( 10.893 0.000 -6.211) 12.539 6.350 ( 2.316 0.000 1.922) 3.010 6.550 ( 1.244 0.000 -0.793) 1.475 6.681 ( -2.947 -0.000 1.050) 3.128 7.622 ( -2.400 -0.000 -2.516) 3.477 7.744 ( 3.880 0.000 2.715) 4.736 7.852 ( -7.573 -0.000 -4.804) 8.969 7.921 ( 8.940 0.000 -1.752) 9.110 8.069 ( -10.404 -0.000 3.372) 10.937 8.086 ( -3.304 -0.000 5.902) 6.764 8.277 ( -1.071 -0.000 -1.662) 1.977 8.518 ( 7.577 0.000 2.080) 7.857 8.666 ( 14.018 0.000 -5.483) 15.053 8.952 ( -0.875 -0.000 -0.898) 1.254 9.050 ( -8.789 -0.000 1.540) 8.923 9.147 ( -7.708 -0.000 1.729) 7.899 9.183 ( 1.958 0.000 -0.017) 1.958 9.459 ( 9.045 0.000 2.797) 9.468 9.542 ( -0.400 -0.000 -0.496) 0.637 9.786 ( -4.692 -0.000 -2.909) 5.520 ======================= Grid point 62 (46/65) ======================= q-point: ( 0.19 -0.19 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( 0.632 16.122 0.000) 16.134 0.950 ( 6.597 15.826 0.000) 17.146 1.329 ( -2.698 -2.257 -0.000) 3.517 1.374 ( 1.598 -1.109 0.000) 1.945 1.409 ( 0.889 0.202 0.000) 0.912 1.422 ( -0.062 0.105 0.000) 0.122 1.502 ( -0.732 4.168 0.000) 4.231 1.615 ( 10.934 18.538 0.000) 21.522 1.773 ( -0.118 -12.365 -0.000) 12.365 1.780 ( -1.182 -1.599 -0.000) 1.988 1.819 ( -4.775 3.559 -0.000) 5.955 1.945 ( -2.840 6.208 0.000) 6.827 2.056 ( 0.275 -0.000 0.000) 0.275 2.087 ( 1.098 -1.171 0.000) 1.605 2.291 ( 6.424 5.986 0.000) 8.781 2.348 ( -0.366 -3.520 -0.000) 3.539 2.387 ( 5.693 -2.017 0.000) 6.040 2.456 ( 8.108 -12.364 -0.000) 14.785 2.771 ( 1.068 -6.534 -0.000) 6.621 2.851 ( 1.715 2.588 0.000) 3.104 2.876 ( -4.159 -0.657 -0.000) 4.211 2.897 ( -0.669 0.717 -0.000) 0.980 3.032 ( -4.012 1.862 -0.000) 4.423 3.037 ( -3.916 -2.138 -0.000) 4.462 3.326 ( 3.413 8.403 0.000) 9.069 3.349 ( 2.932 -8.352 -0.000) 8.851 4.210 ( -3.012 9.928 0.000) 10.375 4.225 ( -2.700 -9.827 -0.000) 10.191 4.498 ( -6.827 -1.366 -0.000) 6.962 4.528 ( -6.412 1.322 -0.000) 6.546 5.682 ( 2.596 -2.640 0.000) 3.703 5.721 ( 2.103 2.238 0.000) 3.070 6.027 ( 1.402 0.091 0.000) 1.405 6.034 ( 1.225 -0.151 0.000) 1.235 6.246 ( 1.066 -2.965 -0.000) 3.151 6.462 ( -2.061 -1.512 -0.000) 2.556 6.596 ( -2.011 -2.280 -0.000) 3.040 6.687 ( -1.204 -0.006 -0.000) 1.204 7.631 ( -2.715 -3.667 -0.000) 4.563 7.783 ( 4.324 1.280 0.000) 4.509 7.843 ( 6.883 -1.197 0.000) 6.986 7.844 ( -3.679 -2.631 -0.000) 4.523 8.122 ( -9.200 4.496 -0.000) 10.240 8.204 ( -7.019 1.460 -0.000) 7.169 8.369 ( -0.212 -5.845 -0.000) 5.849 8.581 ( 2.519 7.740 0.000) 8.139 8.607 ( 4.184 -3.139 0.000) 5.231 8.694 ( 1.343 1.447 0.000) 1.974 9.082 ( 1.437 -4.648 -0.000) 4.865 9.170 ( 0.585 0.959 0.000) 1.123 9.185 ( -2.127 0.704 -0.000) 2.241 9.555 ( -1.287 4.969 0.000) 5.133 9.567 ( 3.521 -2.474 0.000) 4.303 9.760 ( -3.693 -3.371 -0.000) 5.000 ======================= Grid point 63 (47/65) ======================= q-point: ( 0.19 0.56 -0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 1.993 -4.180 10.697) 11.657 1.116 ( 4.603 1.636 13.297) 14.166 1.258 ( 2.879 8.156 0.133) 8.650 1.309 ( -1.786 8.842 -0.150) 9.021 1.440 ( 0.545 1.113 -0.388) 1.299 1.490 ( 1.371 3.223 -0.486) 3.536 1.609 ( -0.904 -4.800 -1.641) 5.153 1.696 ( -1.954 -4.516 -2.394) 5.472 1.708 ( 0.855 -0.166 -4.899) 4.976 1.835 ( 3.458 0.535 4.233) 5.492 1.893 ( 0.413 0.726 2.609) 2.739 1.924 ( 6.012 -8.221 5.919) 11.780 2.061 ( 1.885 -1.943 2.022) 3.379 2.076 ( 0.394 -0.069 0.649) 0.762 2.206 ( -3.851 12.299 0.944) 12.923 2.322 ( 2.538 3.146 -3.200) 5.155 2.446 ( -2.458 1.386 -8.539) 8.993 2.585 ( 1.531 3.578 -1.652) 4.228 2.615 ( 2.325 -4.412 -3.048) 5.844 2.859 ( 0.734 0.858 0.287) 1.165 2.876 ( -2.725 -0.056 -0.445) 2.762 2.950 ( 0.602 1.916 0.185) 2.017 3.025 ( 3.362 1.658 0.102) 3.750 3.086 ( -6.660 2.332 -0.063) 7.057 3.142 ( 1.250 -8.430 -0.104) 8.522 3.470 ( 4.070 4.061 -0.421) 5.765 3.973 ( 2.302 -11.645 0.277) 11.873 4.364 ( -7.715 3.468 -0.302) 8.464 4.493 ( -4.699 0.641 -0.537) 4.773 4.559 ( -6.946 1.347 0.285) 7.081 5.645 ( 2.281 -1.288 -0.621) 2.692 5.766 ( 2.353 1.890 0.279) 3.031 6.005 ( 0.567 -2.448 -0.088) 2.514 6.015 ( 1.193 -1.097 0.069) 1.622 6.174 ( 5.677 -5.599 -3.792) 8.829 6.405 ( 0.264 -1.122 2.261) 2.538 6.558 ( -0.694 -1.509 -0.503) 1.736 6.688 ( -2.648 0.846 0.888) 2.918 7.594 ( -3.554 -1.836 -2.818) 4.893 7.798 ( 6.094 -0.455 2.178) 6.487 7.805 ( -6.315 -2.103 -2.692) 7.180 7.857 ( 8.432 2.227 -1.626) 8.872 8.142 ( -8.118 -0.503 4.339) 9.219 8.179 ( -6.998 1.081 2.991) 7.687 8.279 ( -1.871 -4.377 -3.033) 5.644 8.566 ( 8.510 -1.649 0.942) 8.720 8.600 ( 11.009 -0.213 -1.892) 11.172 8.880 ( -7.689 9.744 3.277) 12.838 9.024 ( -1.456 -2.221 -3.159) 4.127 9.180 ( 1.947 -0.170 -0.100) 1.957 9.190 ( -5.021 0.014 0.609) 5.058 9.450 ( 5.152 2.164 5.735) 8.007 9.658 ( -2.001 -4.967 0.139) 5.357 9.708 ( -2.731 1.117 -3.963) 4.941 ======================= Grid point 64 (48/65) ======================= q-point: ( 0.21 0.54 -0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( 8.474 0.000 5.476) 10.090 1.307 ( -3.180 -0.000 0.059) 3.181 1.352 ( -3.804 -0.000 2.104) 4.347 1.438 ( 3.166 0.000 3.974) 5.080 1.481 ( -0.401 -0.000 1.104) 1.175 1.509 ( 1.937 0.000 2.110) 2.864 1.584 ( 3.841 0.000 2.179) 4.416 1.611 ( -2.407 -0.000 -5.161) 5.695 1.827 ( -0.581 -0.000 2.765) 2.825 1.868 ( -3.915 -0.000 0.032) 3.915 2.056 ( 1.824 0.000 3.692) 4.118 2.062 ( 9.958 0.000 -4.464) 10.913 2.084 ( 1.196 0.000 1.449) 1.879 2.227 ( 10.179 0.000 3.665) 10.819 2.342 ( -4.441 -0.000 0.067) 4.441 2.394 ( 2.819 0.000 -2.028) 3.473 2.570 ( 2.211 0.000 -5.715) 6.128 2.599 ( -1.499 -0.000 -3.393) 3.710 2.644 ( 11.078 0.000 0.167) 11.079 2.696 ( -0.838 -0.000 -2.700) 2.827 2.745 ( -5.348 -0.000 -0.387) 5.363 2.891 ( 3.782 0.000 0.655) 3.838 2.929 ( -0.042 -0.000 1.968) 1.968 3.043 ( -0.485 -0.000 1.446) 1.526 3.488 ( 4.807 0.000 0.214) 4.812 3.661 ( 2.835 0.000 -0.443) 2.869 3.736 ( -21.493 -0.000 -0.285) 21.495 4.045 ( 5.861 0.000 1.044) 5.953 4.072 ( -17.042 -0.000 0.388) 17.046 4.326 ( -5.622 -0.000 -0.542) 5.648 5.768 ( 4.165 0.000 -0.533) 4.199 5.900 ( 1.845 0.000 0.235) 1.860 6.055 ( 2.136 0.000 0.285) 2.155 6.060 ( 4.118 0.000 -0.139) 4.120 6.213 ( -3.327 -0.000 -0.673) 3.394 6.358 ( -3.202 -0.000 1.183) 3.414 6.659 ( 1.865 0.000 0.818) 2.036 6.663 ( 3.922 0.000 -2.388) 4.592 7.520 ( -3.805 -0.000 -3.241) 4.998 7.542 ( 1.261 0.000 -2.147) 2.490 7.853 ( -9.045 -0.000 3.795) 9.809 7.875 ( -5.743 -0.000 4.994) 7.610 8.053 ( 5.560 0.000 2.341) 6.032 8.144 ( -2.292 -0.000 -4.249) 4.828 8.306 ( 10.731 0.000 -1.937) 10.904 8.797 ( -1.390 -0.000 0.222) 1.408 8.806 ( 1.618 0.000 0.828) 1.817 8.834 ( -1.150 -0.000 0.494) 1.251 8.910 ( 1.573 0.000 -0.133) 1.578 8.937 ( -0.892 -0.000 -1.475) 1.724 9.253 ( -6.402 -0.000 4.071) 7.587 9.386 ( -9.933 -0.000 -1.262) 10.013 9.523 ( 6.692 0.000 -5.613) 8.735 9.780 ( 2.771 0.000 1.909) 3.365 ======================= Grid point 67 (49/65) ======================= q-point: ( 0.21 -0.21 0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 1.944 3.277 0.000) 3.811 1.298 ( 3.668 0.097 0.000) 3.669 1.431 ( -1.094 3.231 0.000) 3.411 1.436 ( 2.802 3.896 0.000) 4.799 1.475 ( -5.994 -5.156 -0.000) 7.906 1.525 ( 0.835 -0.433 0.000) 0.941 1.531 ( 3.287 4.835 0.000) 5.847 1.573 ( 0.111 -0.129 0.000) 0.170 1.743 ( -3.862 5.949 0.000) 7.093 1.854 ( 10.428 6.536 0.000) 12.307 1.958 ( -2.010 -3.423 -0.000) 3.970 2.059 ( -1.127 2.361 0.000) 2.617 2.111 ( -0.110 8.436 0.000) 8.437 2.158 ( 2.179 1.010 0.000) 2.402 2.388 ( 4.026 3.067 0.000) 5.061 2.399 ( 6.090 -7.055 0.000) 9.320 2.578 ( 2.103 -10.237 -0.000) 10.451 2.663 ( 0.820 -4.593 -0.000) 4.666 2.695 ( 9.804 -1.187 0.000) 9.876 2.723 ( 2.572 -7.030 -0.000) 7.486 2.873 ( -3.304 -2.820 -0.000) 4.344 2.885 ( 3.541 0.964 0.000) 3.670 2.977 ( 0.057 -3.370 -0.000) 3.370 3.077 ( -2.111 -5.692 -0.000) 6.071 3.339 ( 7.409 12.183 0.000) 14.259 3.558 ( -2.715 7.327 0.000) 7.814 3.797 ( -16.194 -3.855 -0.000) 16.647 4.000 ( -10.907 2.709 -0.000) 11.239 4.158 ( -3.531 -4.379 -0.000) 5.626 4.290 ( -5.116 2.629 -0.000) 5.752 5.773 ( 3.815 -1.022 0.000) 3.950 5.883 ( 2.384 1.567 0.000) 2.853 6.061 ( 2.606 -0.240 0.000) 2.617 6.074 ( 1.511 -0.977 0.000) 1.799 6.213 ( -2.921 -0.587 -0.000) 2.979 6.347 ( -4.205 1.806 -0.000) 4.576 6.632 ( 4.216 0.666 0.000) 4.268 6.675 ( 2.145 -0.788 0.000) 2.285 7.454 ( -2.411 0.787 -0.000) 2.537 7.586 ( -1.475 -3.423 -0.000) 3.728 7.869 ( -8.930 1.990 -0.000) 9.149 7.896 ( -6.190 2.301 -0.000) 6.604 8.124 ( 1.591 -1.280 0.000) 2.042 8.138 ( 6.372 -4.259 0.000) 7.664 8.278 ( 7.417 -0.639 0.000) 7.445 8.680 ( -1.614 6.641 0.000) 6.834 8.811 ( 2.532 0.258 0.000) 2.545 8.878 ( 5.066 -1.067 0.000) 5.177 8.946 ( -2.117 -1.843 -0.000) 2.807 8.972 ( -2.645 -3.870 -0.000) 4.688 9.288 ( -5.426 5.521 -0.000) 7.741 9.308 ( -9.778 -0.938 -0.000) 9.823 9.523 ( 4.288 -3.463 0.000) 5.512 9.797 ( 2.760 0.118 0.000) 2.762 ======================= Grid point 68 (50/65) ======================= q-point: ( 0.22 -0.22 -0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( 0.406 0.000 0.000) 0.406 1.282 ( 2.066 0.000 0.000) 2.066 1.312 ( -12.083 -0.000 -0.000) 12.083 1.390 ( -2.833 -0.000 -0.000) 2.833 1.467 ( -1.287 -0.000 -0.000) 1.287 1.483 ( -8.887 -0.000 -0.000) 8.887 1.530 ( -2.223 -0.000 -0.000) 2.223 1.660 ( 2.658 0.000 0.000) 2.658 1.700 ( -2.130 -0.000 -0.000) 2.130 1.831 ( 0.157 0.000 0.000) 0.157 2.006 ( -3.738 -0.000 -0.000) 3.738 2.041 ( -2.122 -0.000 -0.000) 2.122 2.298 ( -0.622 -0.000 -0.000) 0.622 2.324 ( -2.361 -0.000 -0.000) 2.361 2.369 ( 3.736 0.000 0.000) 3.736 2.377 ( -8.341 -0.000 -0.000) 8.341 2.540 ( 11.373 0.000 0.000) 11.373 2.626 ( 7.440 0.000 0.000) 7.440 2.671 ( 5.166 0.000 0.000) 5.166 2.807 ( -1.520 -0.000 -0.000) 1.520 2.907 ( -2.919 -0.000 -0.000) 2.919 2.975 ( -11.184 -0.000 -0.000) 11.184 2.982 ( -3.725 -0.000 -0.000) 3.725 3.105 ( -19.204 -0.000 -0.000) 19.204 3.349 ( 20.861 0.000 0.000) 20.861 3.443 ( 9.832 0.000 0.000) 9.832 3.734 ( -1.914 -0.000 -0.000) 1.914 3.781 ( 8.835 0.000 0.000) 8.835 4.097 ( -6.173 -0.000 -0.000) 6.173 4.248 ( 4.927 0.000 0.000) 4.927 5.876 ( -3.301 -0.000 -0.000) 3.301 5.880 ( 1.401 0.000 0.000) 1.401 6.077 ( -2.550 -0.000 -0.000) 2.550 6.168 ( -5.626 -0.000 -0.000) 5.626 6.171 ( 3.978 0.000 0.000) 3.978 6.249 ( 4.167 0.000 0.000) 4.167 6.656 ( -2.566 -0.000 -0.000) 2.566 6.771 ( 2.072 0.000 0.000) 2.072 7.532 ( 5.328 0.000 0.000) 5.328 7.593 ( 1.996 0.000 0.000) 1.996 7.695 ( 0.988 0.000 0.000) 0.988 7.725 ( -3.553 -0.000 -0.000) 3.553 8.006 ( -3.334 -0.000 -0.000) 3.334 8.256 ( 3.505 0.000 0.000) 3.505 8.610 ( -9.822 -0.000 -0.000) 9.822 8.627 ( 5.847 0.000 0.000) 5.847 8.801 ( -0.410 -0.000 -0.000) 0.410 8.840 ( -3.314 -0.000 -0.000) 3.314 8.892 ( 2.913 0.000 0.000) 2.913 9.002 ( 0.442 0.000 0.000) 0.442 9.084 ( -2.705 -0.000 -0.000) 2.705 9.263 ( 9.155 0.000 0.000) 9.155 9.667 ( 1.186 0.000 0.000) 1.186 9.833 ( -0.761 -0.000 -0.000) 0.761 ======================= Grid point 70 (51/65) ======================= q-point: ( 0.22 -0.72 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( -5.230 -3.320 -1.884) 6.475 1.318 ( -5.230 3.320 1.884) 6.475 1.414 ( 1.427 -2.282 -0.274) 2.706 1.414 ( 1.427 2.282 0.274) 2.706 1.453 ( -1.150 -1.364 -0.238) 1.800 1.453 ( -1.150 1.364 0.238) 1.800 1.499 ( 1.440 -0.345 -2.296) 2.732 1.499 ( 1.440 0.345 2.296) 2.732 1.815 ( -2.500 -0.899 -5.018) 5.678 1.815 ( -2.500 0.899 5.018) 5.678 1.916 ( 3.548 -2.170 0.900) 4.255 1.916 ( 3.548 2.170 -0.900) 4.255 2.110 ( -1.674 0.156 -3.838) 4.191 2.110 ( -1.674 -0.156 3.838) 4.191 2.562 ( -3.401 4.147 -4.980) 7.319 2.562 ( -3.401 -4.147 4.980) 7.319 2.672 ( 2.566 -2.819 -5.096) 6.364 2.672 ( 2.566 2.819 5.096) 6.364 2.889 ( -3.068 -1.319 -0.884) 3.455 2.889 ( -3.068 1.319 0.884) 3.455 2.990 ( -5.240 0.014 -1.899) 5.574 2.990 ( -5.240 -0.014 1.899) 5.574 3.155 ( -4.656 -6.955 -0.076) 8.370 3.155 ( -4.656 6.955 0.076) 8.370 3.239 ( 3.557 -5.756 0.138) 6.768 3.239 ( 3.557 5.756 -0.138) 6.768 3.642 ( 10.677 -1.456 -0.846) 10.809 3.642 ( 10.677 1.456 0.846) 10.809 4.185 ( 1.087 -1.225 0.558) 1.730 4.185 ( 1.087 1.225 -0.558) 1.730 5.872 ( -1.355 -0.867 -0.757) 1.778 5.872 ( -1.355 0.867 0.757) 1.778 6.092 ( -0.657 0.529 -0.811) 1.170 6.092 ( -0.657 -0.529 0.811) 1.170 6.206 ( 2.102 -1.177 -0.788) 2.535 6.206 ( 2.102 1.177 0.788) 2.535 6.707 ( -1.349 0.694 -1.492) 2.128 6.707 ( -1.349 -0.694 1.492) 2.128 7.561 ( 1.732 -1.215 -6.003) 6.365 7.561 ( 1.732 1.215 6.003) 6.365 7.683 ( 1.485 -1.177 -3.282) 3.789 7.683 ( 1.485 1.177 3.282) 3.789 8.264 ( -2.822 2.417 -3.363) 5.012 8.264 ( -2.822 -2.417 3.363) 5.012 8.467 ( -0.403 -3.435 -3.086) 4.636 8.467 ( -0.403 3.435 3.086) 4.636 8.919 ( -2.735 -0.237 -1.634) 3.195 8.919 ( -2.735 0.237 1.634) 3.195 8.981 ( 0.262 -0.950 -0.297) 1.029 8.981 ( 0.262 0.950 0.297) 1.029 9.107 ( 6.010 2.830 -2.218) 7.004 9.107 ( 6.010 -2.830 2.218) 7.004 9.739 ( -1.131 -0.567 -3.912) 4.112 9.739 ( -1.131 0.567 3.912) 4.112 ======================= Grid point 77 (52/65) ======================= q-point: ( 0.25 0.25 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( 0.000 -0.000 17.546) 17.546 0.746 ( 0.000 -0.000 18.930) 18.930 1.166 ( 0.000 -0.000 29.899) 29.899 1.373 ( -0.000 0.000 -1.492) 1.492 1.424 ( 0.000 -0.000 1.151) 1.151 1.511 ( 0.000 -0.000 3.635) 3.635 1.581 ( -0.000 0.000 -0.527) 0.527 1.581 ( -0.000 0.000 -3.471) 3.471 1.650 ( -0.000 0.000 -3.375) 3.375 1.740 ( 0.000 -0.000 4.595) 4.595 1.807 ( 0.000 -0.000 2.709) 2.709 1.850 ( -0.000 0.000 -6.769) 6.769 2.060 ( -0.000 0.000 -1.477) 1.477 2.064 ( 0.000 -0.000 0.631) 0.631 2.390 ( 0.000 -0.000 2.484) 2.484 2.483 ( -0.000 0.000 -4.358) 4.358 2.500 ( -0.000 0.000 -6.290) 6.290 2.796 ( -0.000 0.000 -0.536) 0.536 2.865 ( -0.000 0.000 -11.623) 11.623 2.881 ( -0.000 0.000 -1.479) 1.479 2.912 ( -0.000 0.000 -0.748) 0.748 2.932 ( -0.000 0.000 -0.902) 0.902 2.992 ( 0.000 -0.000 0.409) 0.409 3.002 ( -0.000 0.000 -0.778) 0.778 3.200 ( -0.000 0.000 -0.031) 0.031 3.471 ( -0.000 0.000 -0.526) 0.526 3.741 ( 0.000 -0.000 0.377) 0.377 4.504 ( -0.000 0.000 -0.867) 0.867 4.553 ( -0.000 0.000 -0.783) 0.783 4.635 ( 0.000 -0.000 0.490) 0.490 5.625 ( -0.000 0.000 -0.970) 0.970 5.777 ( -0.000 0.000 -0.626) 0.626 5.936 ( 0.000 -0.000 0.069) 0.069 5.987 ( 0.000 -0.000 0.144) 0.144 5.996 ( -0.000 0.000 -0.303) 0.303 6.327 ( 0.000 -0.000 3.107) 3.107 6.549 ( 0.000 -0.000 0.133) 0.133 6.716 ( 0.000 -0.000 0.993) 0.993 7.638 ( 0.000 -0.000 1.191) 1.191 7.766 ( -0.000 0.000 -1.827) 1.827 7.772 ( -0.000 0.000 -1.400) 1.400 7.943 ( -0.000 0.000 -5.709) 5.709 8.121 ( 0.000 -0.000 6.577) 6.577 8.266 ( 0.000 -0.000 0.095) 0.095 8.344 ( 0.000 -0.000 0.052) 0.052 8.355 ( -0.000 0.000 -0.252) 0.252 8.423 ( 0.000 -0.000 0.575) 0.575 8.956 ( -0.000 0.000 -1.079) 1.079 9.152 ( 0.000 -0.000 0.080) 0.080 9.232 ( 0.000 -0.000 4.047) 4.047 9.252 ( 0.000 -0.000 2.884) 2.884 9.279 ( 0.000 -0.000 1.338) 1.338 9.543 ( 0.000 -0.000 0.142) 0.142 9.834 ( -0.000 0.000 -3.324) 3.324 ======================= Grid point 79 (53/65) ======================= q-point: ( 0.25 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( 0.000 16.987 0.000) 16.987 0.948 ( 0.000 17.067 0.000) 17.067 1.355 ( -0.000 -2.479 -0.000) 2.479 1.377 ( -0.000 -1.611 -0.000) 1.611 1.403 ( -0.000 -0.128 -0.000) 0.128 1.407 ( 0.000 1.240 0.000) 1.240 1.481 ( 0.000 21.570 0.000) 21.570 1.512 ( 0.000 3.850 0.000) 3.850 1.777 ( -0.000 -13.270 -0.000) 13.270 1.788 ( -0.000 -0.284 -0.000) 0.284 1.870 ( 0.000 2.459 0.000) 2.459 1.991 ( 0.000 5.361 0.000) 5.361 2.067 ( -0.000 -0.609 -0.000) 0.609 2.069 ( 0.000 0.637 0.000) 0.637 2.213 ( 0.000 8.212 0.000) 8.212 2.330 ( -0.000 -4.123 -0.000) 4.123 2.352 ( -0.000 -4.160 -0.000) 4.160 2.371 ( -0.000 -11.928 -0.000) 11.928 2.759 ( -0.000 -7.764 -0.000) 7.764 2.824 ( 0.000 4.462 0.000) 4.462 2.908 ( -0.000 -0.237 -0.000) 0.237 2.919 ( -0.000 -0.700 -0.000) 0.700 3.089 ( 0.000 3.735 0.000) 3.735 3.094 ( -0.000 -4.001 -0.000) 4.001 3.276 ( 0.000 8.021 0.000) 8.021 3.305 ( -0.000 -7.732 -0.000) 7.732 4.239 ( 0.000 11.547 0.000) 11.547 4.251 ( -0.000 -12.107 -0.000) 12.107 4.566 ( -0.000 -1.555 -0.000) 1.555 4.592 ( 0.000 1.619 0.000) 1.619 5.656 ( -0.000 -2.503 -0.000) 2.503 5.701 ( 0.000 2.101 0.000) 2.101 6.010 ( -0.000 -0.149 -0.000) 0.149 6.021 ( -0.000 -0.407 -0.000) 0.407 6.235 ( -0.000 -3.643 -0.000) 3.643 6.480 ( -0.000 -2.796 -0.000) 2.796 6.620 ( -0.000 -2.871 -0.000) 2.871 6.703 ( 0.000 1.171 0.000) 1.171 7.659 ( 0.000 2.360 0.000) 2.360 7.724 ( -0.000 -5.947 -0.000) 5.947 7.766 ( -0.000 -0.766 -0.000) 0.766 7.899 ( -0.000 -1.988 -0.000) 1.988 8.266 ( 0.000 3.755 0.000) 3.755 8.269 ( 0.000 0.032 0.000) 0.032 8.368 ( -0.000 -1.207 -0.000) 1.207 8.484 ( -0.000 -1.966 -0.000) 1.966 8.565 ( -0.000 -9.410 -0.000) 9.410 8.731 ( 0.000 14.389 0.000) 14.389 9.048 ( -0.000 -4.222 -0.000) 4.222 9.176 ( -0.000 -0.539 -0.000) 0.539 9.194 ( 0.000 2.114 0.000) 2.114 9.522 ( -0.000 -3.264 -0.000) 3.264 9.570 ( 0.000 6.748 0.000) 6.748 9.800 ( -0.000 -4.158 -0.000) 4.158 ======================= Grid point 80 (54/65) ======================= q-point: ( 0.25 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( 0.000 -0.394 15.325) 15.330 1.070 ( -0.000 -5.164 11.140) 12.279 1.238 ( 0.000 8.218 0.479) 8.232 1.330 ( 0.000 8.958 -2.405) 9.275 1.455 ( 0.000 1.433 -2.967) 3.295 1.458 ( 0.000 2.618 0.947) 2.784 1.613 ( -0.000 -4.881 -2.388) 5.434 1.693 ( -0.000 -2.300 -2.559) 3.440 1.724 ( -0.000 -3.753 -2.601) 4.566 1.797 ( 0.000 2.637 2.357) 3.537 1.846 ( -0.000 -9.247 12.632) 15.655 1.895 ( -0.000 -0.548 0.814) 0.982 2.051 ( -0.000 -0.538 1.291) 1.399 2.071 ( 0.000 0.867 0.291) 0.914 2.256 ( 0.000 10.444 1.136) 10.506 2.298 ( 0.000 2.631 -2.222) 3.443 2.488 ( 0.000 5.747 -10.622) 12.077 2.553 ( 0.000 11.611 -2.302) 11.837 2.582 ( -0.000 -3.685 -3.149) 4.847 2.861 ( -0.000 -1.818 -0.203) 1.829 2.903 ( -0.000 -0.471 -0.012) 0.472 2.940 ( 0.000 3.028 0.217) 3.035 3.004 ( -0.000 -3.761 -0.140) 3.763 3.119 ( -0.000 -8.249 -0.351) 8.256 3.165 ( 0.000 2.784 -0.005) 2.784 3.418 ( 0.000 4.022 -0.478) 4.051 3.949 ( -0.000 -13.939 0.172) 13.940 4.433 ( 0.000 5.536 -0.464) 5.555 4.546 ( -0.000 -0.643 -0.534) 0.836 4.627 ( 0.000 1.356 0.252) 1.379 5.622 ( -0.000 -1.168 -0.695) 1.359 5.742 ( 0.000 1.859 0.275) 1.879 6.001 ( -0.000 -0.693 -0.239) 0.733 6.002 ( -0.000 -0.943 0.036) 0.943 6.106 ( -0.000 -10.838 -3.421) 11.365 6.399 ( -0.000 -1.672 2.608) 3.098 6.569 ( -0.000 -1.694 -0.113) 1.698 6.719 ( 0.000 1.102 0.841) 1.386 7.659 ( -0.000 -1.970 -1.548) 2.505 7.723 ( 0.000 2.080 -1.077) 2.343 7.752 ( -0.000 -0.198 0.178) 0.266 7.875 ( -0.000 -1.485 -2.716) 3.096 8.234 ( 0.000 -0.944 3.427) 3.555 8.316 ( -0.000 -2.372 -0.064) 2.373 8.332 ( 0.000 0.802 -0.619) 1.013 8.395 ( -0.000 -4.057 0.774) 4.130 8.450 ( -0.000 -2.163 -0.570) 2.237 8.944 ( 0.000 2.422 2.165) 3.249 9.088 ( 0.000 10.013 -1.667) 10.151 9.162 ( -0.000 -0.723 -0.026) 0.723 9.241 ( 0.000 2.729 1.402) 3.068 9.361 ( 0.000 -1.400 6.546) 6.694 9.678 ( -0.000 -6.645 0.215) 6.648 9.741 ( 0.000 2.001 -4.512) 4.935 ======================= Grid point 81 (55/65) ======================= q-point: ( 0.26 0.49 -0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( 3.768 0.000 9.842) 10.539 1.305 ( 8.336 0.000 9.338) 12.517 1.394 ( -4.100 -0.000 0.081) 4.100 1.397 ( 1.233 0.000 2.554) 2.836 1.474 ( -0.277 -0.000 0.122) 0.302 1.480 ( 0.284 0.000 1.832) 1.854 1.554 ( -0.351 -0.000 0.924) 0.989 1.636 ( 0.501 0.000 -4.757) 4.783 1.796 ( 4.084 0.000 -0.229) 4.090 1.901 ( 3.029 0.000 4.798) 5.674 1.925 ( 3.684 0.000 -3.506) 5.086 1.961 ( 7.950 0.000 4.235) 9.008 2.044 ( 3.880 0.000 4.384) 5.855 2.070 ( 0.419 0.000 1.930) 1.975 2.371 ( -2.476 -0.000 -5.412) 5.952 2.457 ( 6.383 0.000 -0.965) 6.455 2.459 ( -7.529 -0.000 -0.437) 7.542 2.519 ( 3.093 0.000 -4.900) 5.795 2.522 ( 5.545 0.000 -5.779) 8.009 2.793 ( -5.435 -0.000 -0.839) 5.499 2.854 ( -4.474 -0.000 -0.563) 4.509 2.923 ( 0.729 0.000 1.296) 1.486 2.960 ( -7.692 -0.000 0.023) 7.692 3.041 ( 0.573 0.000 0.925) 1.088 3.340 ( 9.739 0.000 -0.059) 9.739 3.595 ( 3.909 0.000 -0.377) 3.927 3.923 ( 6.610 0.000 0.746) 6.652 4.120 ( -17.680 -0.000 -0.160) 17.681 4.371 ( -12.959 -0.000 0.580) 12.972 4.432 ( -5.457 -0.000 -0.791) 5.514 5.689 ( 3.756 0.000 -0.493) 3.788 5.848 ( 3.301 0.000 0.003) 3.301 5.990 ( 2.823 0.000 -0.168) 2.828 6.025 ( 1.444 0.000 0.202) 1.458 6.237 ( 2.215 0.000 -1.744) 2.819 6.395 ( -0.806 -0.000 1.572) 1.767 6.572 ( 4.233 0.000 -2.281) 4.808 6.652 ( -1.245 -0.000 0.764) 1.461 7.536 ( -0.838 -0.000 -2.158) 2.315 7.629 ( -7.122 -0.000 -3.208) 7.811 7.915 ( 6.158 0.000 3.157) 6.920 7.993 ( -6.527 -0.000 5.238) 8.369 8.040 ( -4.468 -0.000 3.260) 5.531 8.106 ( 7.322 0.000 -1.497) 7.473 8.184 ( -2.132 -0.000 -4.429) 4.915 8.705 ( 7.209 0.000 1.720) 7.412 8.777 ( 5.271 0.000 -2.057) 5.658 8.895 ( -5.094 -0.000 0.937) 5.179 8.952 ( -1.115 -0.000 -1.374) 1.770 8.984 ( -8.611 -0.000 0.237) 8.614 9.271 ( 5.398 0.000 1.376) 5.571 9.482 ( -3.542 -0.000 -2.247) 4.194 9.557 ( -6.533 -0.000 -0.478) 6.551 9.706 ( 4.137 0.000 0.631) 4.185 ======================= Grid point 84 (56/65) ======================= q-point: ( 0.26 -0.26 0.49) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( 1.334 3.597 0.000) 3.837 1.297 ( -1.325 3.530 0.000) 3.770 1.344 ( 6.224 6.924 0.000) 9.310 1.423 ( 2.668 1.182 0.000) 2.918 1.473 ( 1.740 3.386 0.000) 3.807 1.483 ( 2.936 1.690 0.000) 3.388 1.590 ( -1.066 -1.749 -0.000) 2.049 1.594 ( -5.802 -5.475 -0.000) 7.977 1.663 ( 7.421 4.521 0.000) 8.690 1.825 ( -4.003 4.876 -0.000) 6.308 1.968 ( 1.562 0.080 0.000) 1.565 2.057 ( 4.626 -2.724 0.000) 5.368 2.078 ( -0.551 1.080 0.000) 1.212 2.140 ( -0.789 13.980 0.000) 14.002 2.304 ( 3.542 -4.846 0.000) 6.002 2.321 ( 3.619 -2.019 0.000) 4.144 2.378 ( 10.048 -9.282 0.000) 13.679 2.588 ( 1.543 -1.027 0.000) 1.854 2.650 ( 4.298 -8.775 -0.000) 9.771 2.772 ( -6.670 0.992 -0.000) 6.744 2.898 ( 0.825 1.405 0.000) 1.629 2.949 ( -6.624 0.561 -0.000) 6.648 2.964 ( 0.913 -0.145 0.000) 0.924 3.107 ( 0.752 -5.721 -0.000) 5.770 3.184 ( 6.336 6.975 0.000) 9.423 3.538 ( 2.972 4.922 0.000) 5.749 4.029 ( 2.571 -6.427 -0.000) 6.923 4.129 ( -15.824 -0.629 -0.000) 15.836 4.369 ( -12.555 0.582 -0.000) 12.569 4.391 ( -5.209 2.709 -0.000) 5.871 5.699 ( 3.669 -1.318 0.000) 3.899 5.825 ( 3.283 1.845 0.000) 3.766 6.022 ( 1.407 -2.227 -0.000) 2.635 6.044 ( 1.587 -1.250 0.000) 2.021 6.232 ( 2.103 -1.070 0.000) 2.360 6.409 ( -2.062 0.255 -0.000) 2.078 6.556 ( 2.333 -0.469 0.000) 2.380 6.658 ( -0.722 -0.114 -0.000) 0.731 7.507 ( -2.716 -0.489 -0.000) 2.760 7.654 ( -5.643 -3.631 -0.000) 6.710 7.948 ( 4.062 0.156 0.000) 4.065 8.016 ( 8.876 3.472 0.000) 9.531 8.060 ( -3.511 0.620 -0.000) 3.565 8.073 ( -9.657 1.268 -0.000) 9.740 8.203 ( 0.571 -5.949 -0.000) 5.977 8.732 ( 6.002 1.326 0.000) 6.147 8.736 ( 0.702 1.804 0.000) 1.936 8.768 ( 0.722 5.676 0.000) 5.721 8.981 ( -1.192 -3.406 -0.000) 3.608 9.065 ( -6.577 -3.323 -0.000) 7.368 9.267 ( 5.886 1.647 0.000) 6.113 9.484 ( -7.349 -1.891 -0.000) 7.588 9.546 ( -5.478 0.372 -0.000) 5.490 9.723 ( 4.710 -0.708 0.000) 4.763 ======================= Grid point 85 (57/65) ======================= q-point: ( 0.28 -0.28 -0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( -0.733 -0.000 -0.000) 0.733 1.293 ( -2.545 -0.000 -0.000) 2.545 1.442 ( -2.776 -0.000 -0.000) 2.776 1.451 ( 7.698 0.000 0.000) 7.698 1.464 ( -3.561 -0.000 -0.000) 3.561 1.493 ( -1.460 -0.000 -0.000) 1.460 1.558 ( -0.496 -0.000 -0.000) 0.496 1.686 ( 3.111 0.000 0.000) 3.111 1.740 ( -7.583 -0.000 -0.000) 7.583 1.831 ( -0.900 -0.000 -0.000) 0.900 2.083 ( -2.745 -0.000 -0.000) 2.745 2.088 ( -2.159 -0.000 -0.000) 2.159 2.270 ( 12.604 0.000 0.000) 12.604 2.303 ( 1.095 0.000 0.000) 1.095 2.347 ( -3.157 -0.000 -0.000) 3.157 2.440 ( 6.356 0.000 0.000) 6.356 2.453 ( -6.665 -0.000 -0.000) 6.665 2.573 ( 4.588 0.000 0.000) 4.588 2.578 ( -7.018 -0.000 -0.000) 7.018 2.741 ( 5.394 0.000 0.000) 5.394 2.941 ( -0.917 -0.000 -0.000) 0.917 2.967 ( 18.250 0.000 0.000) 18.250 3.037 ( -1.820 -0.000 -0.000) 1.820 3.140 ( 17.661 0.000 0.000) 17.661 3.316 ( -20.909 -0.000 -0.000) 20.909 3.452 ( -11.903 -0.000 -0.000) 11.903 3.702 ( 2.112 0.000 0.000) 2.112 3.801 ( -7.946 -0.000 -0.000) 7.946 4.156 ( 4.830 0.000 0.000) 4.830 4.211 ( -5.763 -0.000 -0.000) 5.763 5.835 ( 3.177 0.000 0.000) 3.177 5.916 ( -0.718 -0.000 -0.000) 0.718 6.105 ( 2.907 0.000 0.000) 2.907 6.137 ( -3.606 -0.000 -0.000) 3.606 6.153 ( 5.305 0.000 0.000) 5.305 6.279 ( -5.583 -0.000 -0.000) 5.583 6.685 ( 0.111 0.000 0.000) 0.111 6.719 ( 3.064 0.000 0.000) 3.064 7.465 ( 1.306 0.000 0.000) 1.306 7.555 ( 1.965 0.000 0.000) 1.965 7.737 ( -5.402 -0.000 -0.000) 5.402 7.812 ( -5.520 -0.000 -0.000) 5.520 8.059 ( -2.216 -0.000 -0.000) 2.216 8.178 ( 4.572 0.000 0.000) 4.572 8.480 ( 9.137 0.000 0.000) 9.137 8.750 ( -4.269 -0.000 -0.000) 4.269 8.812 ( -0.579 -0.000 -0.000) 0.579 8.847 ( 1.628 0.000 0.000) 1.628 8.892 ( -2.128 -0.000 -0.000) 2.128 8.979 ( 2.807 0.000 0.000) 2.807 9.177 ( -1.809 -0.000 -0.000) 1.809 9.195 ( -8.169 -0.000 -0.000) 8.169 9.603 ( 5.447 0.000 0.000) 5.447 9.833 ( 0.833 0.000 0.000) 0.833 ======================= Grid point 98 (58/65) ======================= q-point: ( 0.32 0.43 -0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( 3.661 0.000 13.940) 14.412 1.140 ( 7.315 0.000 13.851) 15.664 1.347 ( 1.606 0.000 -1.246) 2.033 1.437 ( 0.052 0.000 -0.260) 0.266 1.493 ( 0.038 0.000 -3.521) 3.521 1.520 ( -4.222 -0.000 0.418) 4.242 1.567 ( -0.520 -0.000 1.772) 1.847 1.593 ( 2.930 0.000 -2.142) 3.629 1.725 ( 2.228 0.000 -5.998) 6.398 1.753 ( 5.389 0.000 17.821) 18.618 1.867 ( 2.995 0.000 2.379) 3.825 1.898 ( 2.454 0.000 3.772) 4.500 2.033 ( -0.897 -0.000 0.391) 0.978 2.072 ( -0.470 -0.000 1.085) 1.182 2.390 ( 0.613 0.000 -2.467) 2.542 2.421 ( 4.131 0.000 -6.282) 7.518 2.461 ( 2.692 0.000 -2.978) 4.014 2.492 ( -8.230 -0.000 -10.601) 13.421 2.633 ( -9.850 -0.000 -0.727) 9.877 2.871 ( -2.522 -0.000 -0.219) 2.531 2.902 ( 1.268 0.000 0.147) 1.277 2.909 ( -1.377 -0.000 -0.822) 1.604 3.020 ( 1.469 0.000 0.301) 1.500 3.115 ( -7.277 -0.000 -0.094) 7.277 3.136 ( 10.663 0.000 -0.205) 10.665 3.515 ( 4.200 0.000 -0.343) 4.214 3.804 ( 5.226 0.000 0.218) 5.231 4.393 ( -10.037 -0.000 -0.304) 10.041 4.508 ( -3.294 -0.000 -0.500) 3.332 4.575 ( -6.890 -0.000 0.171) 6.892 5.631 ( 2.177 0.000 -0.567) 2.249 5.789 ( 2.368 0.000 -0.067) 2.369 5.950 ( 1.346 0.000 -0.056) 1.347 6.000 ( 1.014 0.000 0.134) 1.023 6.109 ( 9.411 0.000 -2.504) 9.739 6.391 ( 0.910 0.000 1.971) 2.172 6.541 ( -0.505 -0.000 -0.252) 0.565 6.698 ( -2.860 -0.000 0.690) 2.942 7.579 ( -3.594 -0.000 -1.896) 4.063 7.773 ( -6.962 -0.000 -3.423) 7.758 7.793 ( 5.426 0.000 2.272) 5.882 7.890 ( 9.447 0.000 -1.477) 9.561 8.125 ( -7.344 -0.000 2.721) 7.832 8.183 ( -4.374 -0.000 4.128) 6.014 8.243 ( -4.517 -0.000 -1.991) 4.937 8.546 ( 9.180 0.000 1.084) 9.244 8.596 ( 12.508 0.000 -2.476) 12.751 8.940 ( -0.211 -0.000 -0.431) 0.479 9.076 ( -10.876 -0.000 1.170) 10.938 9.173 ( -2.412 -0.000 0.773) 2.533 9.185 ( -4.808 -0.000 0.461) 4.830 9.517 ( 8.867 0.000 3.382) 9.490 9.543 ( -1.460 -0.000 0.351) 1.502 9.724 ( -3.891 -0.000 -3.690) 5.362 ======================= Grid point 101 (59/65) ======================= q-point: ( 0.32 -0.32 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( -3.371 5.719 0.000) 6.638 1.226 ( 5.058 7.293 0.000) 8.875 1.305 ( 0.455 3.312 0.000) 3.343 1.340 ( 4.602 -1.172 0.000) 4.749 1.415 ( 3.594 0.451 0.000) 3.622 1.467 ( -0.166 2.760 0.000) 2.765 1.589 ( 0.362 -1.227 -0.000) 1.279 1.606 ( 0.554 1.855 0.000) 1.936 1.682 ( -3.116 -5.866 -0.000) 6.642 1.861 ( 2.221 3.832 0.000) 4.429 1.908 ( 1.447 3.146 0.000) 3.462 2.001 ( 1.174 -3.534 -0.000) 3.724 2.075 ( 0.222 0.922 0.000) 0.948 2.180 ( -1.930 10.041 0.000) 10.225 2.222 ( 3.444 -7.482 -0.000) 8.236 2.282 ( -1.778 2.084 -0.000) 2.740 2.294 ( 1.671 -0.433 0.000) 1.726 2.576 ( 1.588 8.951 0.000) 9.091 2.578 ( 2.909 -9.924 -0.000) 10.341 2.863 ( 1.392 0.753 0.000) 1.582 2.871 ( -3.382 -0.164 -0.000) 3.386 2.952 ( 0.556 1.576 0.000) 1.671 3.026 ( 3.593 1.640 0.000) 3.949 3.085 ( -6.738 2.314 -0.000) 7.124 3.141 ( 1.441 -8.413 -0.000) 8.535 3.466 ( 4.106 4.127 0.000) 5.822 3.976 ( 2.426 -11.648 -0.000) 11.898 4.361 ( -7.608 3.434 -0.000) 8.347 4.488 ( -4.655 0.662 -0.000) 4.702 4.561 ( -6.949 1.294 -0.000) 7.068 5.639 ( 2.338 -1.248 0.000) 2.650 5.768 ( 2.339 1.700 0.000) 2.891 6.004 ( 0.567 -2.520 -0.000) 2.583 6.015 ( 1.244 -1.075 0.000) 1.644 6.140 ( 5.732 -5.057 0.000) 7.644 6.427 ( -0.041 -1.370 -0.000) 1.371 6.553 ( -1.125 -1.320 -0.000) 1.734 6.696 ( -2.606 0.612 -0.000) 2.677 7.567 ( -3.866 -1.274 -0.000) 4.071 7.778 ( -6.064 -2.807 -0.000) 6.682 7.823 ( 6.142 -0.586 0.000) 6.170 7.838 ( 8.725 2.662 0.000) 9.122 8.195 ( -8.388 2.105 -0.000) 8.648 8.221 ( -5.070 0.234 -0.000) 5.075 8.227 ( -3.191 -5.623 -0.000) 6.466 8.571 ( 10.399 -0.898 0.000) 10.437 8.586 ( 9.147 -1.453 0.000) 9.262 8.924 ( -10.685 11.912 -0.000) 16.002 8.981 ( 1.020 -3.763 -0.000) 3.899 9.178 ( 2.304 -0.011 0.000) 2.304 9.197 ( -6.049 0.284 -0.000) 6.056 9.524 ( 4.590 -0.935 0.000) 4.684 9.645 ( -3.922 2.885 -0.000) 4.869 9.666 ( -0.483 -5.075 -0.000) 5.098 ======================= Grid point 102 (60/65) ======================= q-point: ( 0.33 0.67 -0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( 5.727 0.000 0.000) 5.727 1.308 ( -3.103 -0.000 -0.000) 3.103 1.402 ( -4.519 -0.000 -0.000) 4.519 1.473 ( 1.265 0.000 0.000) 1.265 1.495 ( -2.081 -0.000 -0.000) 2.081 1.515 ( -0.101 -0.000 -0.000) 0.101 1.543 ( 1.826 0.000 0.000) 1.826 1.607 ( 4.636 0.000 0.000) 4.636 1.861 ( -1.989 -0.000 -0.000) 1.989 1.865 ( -5.181 -0.000 -0.000) 5.181 2.008 ( 13.512 0.000 0.000) 13.512 2.096 ( 2.137 0.000 0.000) 2.137 2.101 ( 0.084 0.000 0.000) 0.084 2.311 ( 5.237 0.000 0.000) 5.237 2.328 ( 6.578 0.000 0.000) 6.578 2.343 ( -4.392 -0.000 -0.000) 4.392 2.512 ( 2.677 0.000 0.000) 2.677 2.564 ( 1.054 0.000 0.000) 1.054 2.646 ( 11.323 0.000 0.000) 11.323 2.670 ( -2.758 -0.000 -0.000) 2.758 2.741 ( -5.449 -0.000 -0.000) 5.449 2.897 ( 4.279 0.000 0.000) 4.279 2.948 ( 0.127 0.000 0.000) 0.127 3.057 ( -0.278 -0.000 -0.000) 0.278 3.490 ( 4.930 0.000 0.000) 4.930 3.657 ( 2.807 0.000 0.000) 2.807 3.733 ( -21.613 -0.000 -0.000) 21.613 4.054 ( 5.875 0.000 0.000) 5.875 4.076 ( -17.126 -0.000 -0.000) 17.126 4.320 ( -5.561 -0.000 -0.000) 5.561 5.763 ( 4.123 0.000 0.000) 4.123 5.903 ( 2.016 0.000 0.000) 2.016 6.058 ( 4.395 0.000 0.000) 4.395 6.059 ( 1.937 0.000 0.000) 1.937 6.207 ( -3.137 -0.000 -0.000) 3.137 6.370 ( -3.566 -0.000 -0.000) 3.566 6.640 ( 4.413 0.000 0.000) 4.413 6.667 ( 1.886 0.000 0.000) 1.886 7.489 ( -3.775 -0.000 -0.000) 3.775 7.522 ( 1.282 0.000 0.000) 1.282 7.890 ( -9.761 -0.000 -0.000) 9.761 7.933 ( -6.810 -0.000 -0.000) 6.810 8.077 ( 5.935 0.000 0.000) 5.935 8.093 ( -1.362 -0.000 -0.000) 1.362 8.287 ( 10.675 0.000 0.000) 10.675 8.799 ( -0.964 -0.000 -0.000) 0.964 8.812 ( 0.952 0.000 0.000) 0.952 8.839 ( -1.152 -0.000 -0.000) 1.152 8.910 ( 2.363 0.000 0.000) 2.363 8.922 ( -1.041 -0.000 -0.000) 1.041 9.301 ( -8.881 -0.000 -0.000) 8.881 9.374 ( -9.808 -0.000 -0.000) 9.808 9.461 ( 9.002 0.000 0.000) 9.002 9.798 ( 2.954 0.000 0.000) 2.954 ======================= Grid point 116 (61/65) ======================= q-point: ( 0.38 0.37 -0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( 0.000 -0.000 14.853) 14.853 1.063 ( 0.000 -0.000 15.430) 15.430 1.339 ( -0.000 0.000 -2.594) 2.594 1.433 ( -0.000 0.000 -0.623) 0.623 1.481 ( -0.000 0.000 -6.609) 6.609 1.562 ( 0.000 -0.000 1.427) 1.427 1.568 ( 0.000 -0.000 2.325) 2.325 1.574 ( -0.000 0.000 -0.117) 0.117 1.710 ( -0.000 0.000 -7.932) 7.932 1.712 ( 0.000 -0.000 21.895) 21.895 1.828 ( 0.000 -0.000 4.513) 4.513 1.870 ( 0.000 -0.000 3.439) 3.439 2.044 ( 0.000 -0.000 0.176) 0.176 2.078 ( 0.000 -0.000 0.914) 0.914 2.379 ( -0.000 0.000 -6.287) 6.287 2.404 ( -0.000 0.000 -3.851) 3.851 2.416 ( -0.000 0.000 -0.738) 0.738 2.602 ( -0.000 0.000 -15.640) 15.640 2.787 ( -0.000 0.000 -0.397) 0.397 2.858 ( -0.000 0.000 -0.905) 0.905 2.901 ( -0.000 0.000 -0.445) 0.445 2.918 ( -0.000 0.000 -0.552) 0.552 2.998 ( 0.000 -0.000 0.283) 0.283 2.999 ( 0.000 -0.000 0.034) 0.034 3.199 ( -0.000 0.000 -0.060) 0.060 3.462 ( -0.000 0.000 -0.365) 0.365 3.748 ( 0.000 -0.000 0.277) 0.277 4.492 ( -0.000 0.000 -0.486) 0.486 4.540 ( -0.000 0.000 -0.593) 0.593 4.642 ( 0.000 -0.000 0.271) 0.271 5.609 ( -0.000 0.000 -0.638) 0.638 5.767 ( -0.000 0.000 -0.437) 0.437 5.937 ( 0.000 -0.000 0.047) 0.047 5.990 ( 0.000 -0.000 0.105) 0.105 5.991 ( -0.000 0.000 -0.210) 0.210 6.379 ( 0.000 -0.000 2.353) 2.353 6.552 ( 0.000 -0.000 0.089) 0.089 6.732 ( 0.000 -0.000 0.639) 0.639 7.642 ( -0.000 0.000 -0.674) 0.674 7.752 ( 0.000 -0.000 0.164) 0.164 7.752 ( -0.000 0.000 -0.770) 0.770 7.850 ( -0.000 0.000 -3.998) 3.998 8.224 ( 0.000 -0.000 4.298) 4.298 8.268 ( 0.000 -0.000 0.067) 0.067 8.346 ( 0.000 -0.000 0.115) 0.115 8.351 ( -0.000 0.000 -0.178) 0.178 8.428 ( 0.000 -0.000 0.099) 0.099 8.941 ( -0.000 0.000 -0.567) 0.567 9.153 ( 0.000 -0.000 0.055) 0.055 9.299 ( 0.000 -0.000 0.759) 0.759 9.300 ( 0.000 -0.000 2.101) 2.101 9.315 ( 0.000 -0.000 4.508) 4.508 9.545 ( 0.000 -0.000 0.102) 0.102 9.765 ( -0.000 0.000 -3.794) 3.794 ======================= Grid point 119 (62/65) ======================= q-point: ( 0.38 -0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( 0.000 6.935 0.000) 6.935 1.264 ( 0.000 11.200 0.000) 11.200 1.289 ( -0.000 -3.192 -0.000) 3.192 1.289 ( -0.000 -3.000 -0.000) 3.000 1.374 ( -0.000 -0.843 -0.000) 0.843 1.462 ( 0.000 2.883 0.000) 2.883 1.590 ( 0.000 2.477 0.000) 2.477 1.597 ( -0.000 -2.353 -0.000) 2.353 1.713 ( -0.000 -5.607 -0.000) 5.607 1.816 ( 0.000 6.563 0.000) 6.563 1.903 ( 0.000 0.588 0.000) 0.588 1.994 ( -0.000 -1.970 -0.000) 1.970 2.075 ( 0.000 1.093 0.000) 1.093 2.194 ( 0.000 4.622 0.000) 4.622 2.197 ( -0.000 -3.468 -0.000) 3.468 2.278 ( -0.000 -1.501 -0.000) 1.501 2.328 ( 0.000 6.135 0.000) 6.135 2.535 ( 0.000 18.935 0.000) 18.935 2.548 ( -0.000 -10.428 -0.000) 10.428 2.859 ( -0.000 -2.182 -0.000) 2.182 2.903 ( -0.000 -0.576 -0.000) 0.576 2.942 ( 0.000 3.163 0.000) 3.163 3.003 ( -0.000 -3.967 -0.000) 3.967 3.115 ( -0.000 -8.250 -0.000) 8.250 3.165 ( 0.000 2.771 0.000) 2.771 3.413 ( 0.000 4.127 0.000) 4.127 3.950 ( -0.000 -13.884 -0.000) 13.884 4.429 ( 0.000 5.449 0.000) 5.449 4.541 ( -0.000 -0.659 -0.000) 0.659 4.629 ( 0.000 1.375 0.000) 1.375 5.615 ( -0.000 -1.125 -0.000) 1.125 5.745 ( 0.000 1.569 0.000) 1.569 5.998 ( -0.000 -0.691 -0.000) 0.691 6.003 ( -0.000 -0.939 -0.000) 0.939 6.076 ( -0.000 -9.594 -0.000) 9.594 6.424 ( -0.000 -1.924 -0.000) 1.924 6.568 ( -0.000 -1.495 -0.000) 1.495 6.728 ( 0.000 0.863 0.000) 0.863 7.640 ( -0.000 -1.473 -0.000) 1.473 7.712 ( 0.000 2.246 0.000) 2.246 7.757 ( -0.000 -0.119 -0.000) 0.119 7.848 ( -0.000 -2.426 -0.000) 2.426 8.267 ( -0.000 -0.174 -0.000) 0.174 8.313 ( -0.000 -3.175 -0.000) 3.175 8.329 ( 0.000 1.866 0.000) 1.866 8.402 ( -0.000 -4.957 -0.000) 4.957 8.445 ( -0.000 -1.379 -0.000) 1.379 8.966 ( -0.000 -2.709 -0.000) 2.709 9.072 ( 0.000 15.144 0.000) 15.144 9.162 ( -0.000 -0.655 -0.000) 0.655 9.255 ( 0.000 3.254 0.000) 3.254 9.439 ( -0.000 -4.012 -0.000) 4.012 9.679 ( -0.000 -6.827 -0.000) 6.827 9.684 ( 0.000 3.470 0.000) 3.470 ======================= Grid point 120 (63/65) ======================= q-point: ( 0.39 0.61 -0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( 0.656 0.000 0.000) 0.656 1.382 ( -4.081 -0.000 -0.000) 4.081 1.413 ( 4.638 0.000 0.000) 4.638 1.446 ( 6.464 0.000 0.000) 6.464 1.503 ( -4.727 -0.000 -0.000) 4.727 1.513 ( 2.701 0.000 0.000) 2.701 1.525 ( 3.170 0.000 0.000) 3.170 1.538 ( -2.102 -0.000 -0.000) 2.102 1.777 ( 9.761 0.000 0.000) 9.761 1.896 ( -1.297 -0.000 -0.000) 1.297 1.934 ( -1.956 -0.000 -0.000) 1.956 2.012 ( 5.215 0.000 0.000) 5.215 2.095 ( 0.475 0.000 0.000) 0.475 2.172 ( 6.286 0.000 0.000) 6.286 2.246 ( 2.156 0.000 0.000) 2.156 2.445 ( 3.421 0.000 0.000) 3.421 2.457 ( -7.407 -0.000 -0.000) 7.407 2.460 ( 6.377 0.000 0.000) 6.377 2.477 ( 4.632 0.000 0.000) 4.632 2.784 ( -5.827 -0.000 -0.000) 5.827 2.849 ( -4.290 -0.000 -0.000) 4.290 2.935 ( 1.206 0.000 0.000) 1.206 2.960 ( -7.619 -0.000 -0.000) 7.619 3.050 ( 0.912 0.000 0.000) 0.912 3.339 ( 9.867 0.000 0.000) 9.867 3.592 ( 3.880 0.000 0.000) 3.880 3.930 ( 6.895 0.000 0.000) 6.895 4.119 ( -17.676 -0.000 -0.000) 17.676 4.378 ( -13.380 -0.000 -0.000) 13.380 4.423 ( -4.967 -0.000 -0.000) 4.967 5.685 ( 3.765 0.000 0.000) 3.765 5.848 ( 3.340 0.000 0.000) 3.340 5.988 ( 2.805 0.000 0.000) 2.805 6.027 ( 1.483 0.000 0.000) 1.483 6.220 ( 3.146 0.000 0.000) 3.146 6.411 ( -0.826 -0.000 -0.000) 0.826 6.551 ( 3.213 0.000 0.000) 3.213 6.660 ( -1.214 -0.000 -0.000) 1.214 7.515 ( -0.865 -0.000 -0.000) 0.865 7.599 ( -7.130 -0.000 -0.000) 7.130 7.945 ( 6.944 0.000 0.000) 6.944 8.070 ( -7.373 -0.000 -0.000) 7.373 8.076 ( 10.948 0.000 0.000) 10.948 8.087 ( -9.100 -0.000 -0.000) 9.100 8.115 ( -1.184 -0.000 -0.000) 1.184 8.727 ( 7.096 0.000 0.000) 7.096 8.751 ( 6.240 0.000 0.000) 6.240 8.908 ( -6.393 -0.000 -0.000) 6.393 8.934 ( -0.285 -0.000 -0.000) 0.285 8.987 ( -9.088 -0.000 -0.000) 9.088 9.284 ( 8.241 0.000 0.000) 8.241 9.463 ( -7.007 -0.000 -0.000) 7.007 9.552 ( -8.227 -0.000 -0.000) 8.227 9.713 ( 6.054 0.000 0.000) 6.054 ======================= Grid point 138 (64/65) ======================= q-point: ( 0.44 0.56 -0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( -2.113 -0.000 -0.000) 2.113 1.292 ( 8.202 0.000 0.000) 8.202 1.308 ( 5.349 0.000 0.000) 5.349 1.414 ( 1.004 0.000 0.000) 1.004 1.443 ( 3.453 0.000 0.000) 3.453 1.531 ( -3.571 -0.000 -0.000) 3.571 1.553 ( -0.503 -0.000 -0.000) 0.503 1.573 ( -1.495 -0.000 -0.000) 1.495 1.649 ( 3.731 0.000 0.000) 3.731 1.897 ( 1.216 0.000 0.000) 1.216 1.933 ( 2.701 0.000 0.000) 2.701 1.957 ( -0.994 -0.000 -0.000) 0.994 2.089 ( 0.010 0.000 0.000) 0.010 2.140 ( -1.930 -0.000 -0.000) 1.930 2.224 ( 0.172 0.000 0.000) 0.172 2.353 ( 4.245 0.000 0.000) 4.245 2.391 ( 2.260 0.000 0.000) 2.260 2.453 ( -1.192 -0.000 -0.000) 1.192 2.626 ( -9.789 -0.000 -0.000) 9.789 2.869 ( -2.883 -0.000 -0.000) 2.883 2.902 ( -1.394 -0.000 -0.000) 1.394 2.904 ( 2.039 0.000 0.000) 2.039 3.023 ( 1.784 0.000 0.000) 1.784 3.114 ( -7.315 -0.000 -0.000) 7.315 3.134 ( 10.614 0.000 0.000) 10.614 3.511 ( 4.200 0.000 0.000) 4.200 3.806 ( 5.313 0.000 0.000) 5.313 4.390 ( -9.924 -0.000 -0.000) 9.924 4.503 ( -3.095 -0.000 -0.000) 3.095 4.576 ( -7.056 -0.000 -0.000) 7.056 5.625 ( 2.229 0.000 0.000) 2.229 5.788 ( 2.494 0.000 0.000) 2.494 5.949 ( 1.269 0.000 0.000) 1.269 6.002 ( 1.040 0.000 0.000) 1.040 6.087 ( 8.486 0.000 0.000) 8.486 6.410 ( 0.585 0.000 0.000) 0.585 6.539 ( -0.961 -0.000 -0.000) 0.961 6.704 ( -2.818 -0.000 -0.000) 2.818 7.561 ( -3.844 -0.000 -0.000) 3.844 7.740 ( -6.629 -0.000 -0.000) 6.629 7.816 ( 5.656 0.000 0.000) 5.656 7.874 ( 9.675 0.000 0.000) 9.675 8.157 ( -3.956 -0.000 -0.000) 3.956 8.218 ( -7.988 -0.000 -0.000) 7.988 8.222 ( -4.570 -0.000 -0.000) 4.570 8.560 ( 12.800 0.000 0.000) 12.800 8.570 ( 8.772 0.000 0.000) 8.772 8.936 ( 0.008 0.000 0.000) 0.008 9.087 ( -11.789 -0.000 -0.000) 11.789 9.177 ( 2.859 0.000 0.000) 2.859 9.193 ( -10.682 -0.000 -0.000) 10.682 9.547 ( -1.552 -0.000 -0.000) 1.552 9.560 ( 9.831 0.000 0.000) 9.831 9.678 ( -4.597 -0.000 -0.000) 4.597 ======================= Grid point 156 (65/65) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( -0.000 0.000 -0.000) 0.000 1.250 ( -0.000 0.000 -0.000) 0.000 1.252 ( 0.000 -0.000 0.000) 0.000 1.398 ( 0.000 -0.000 0.000) 0.000 1.407 ( 0.000 -0.000 0.000) 0.000 1.551 ( 0.000 -0.000 0.000) 0.000 1.579 ( 0.000 -0.000 0.000) 0.000 1.590 ( 0.000 -0.000 0.000) 0.000 1.615 ( 0.000 -0.000 0.000) 0.000 1.876 ( 0.000 -0.000 0.000) 0.000 1.906 ( 0.000 -0.000 0.000) 0.000 1.972 ( -0.000 0.000 -0.000) 0.000 2.091 ( 0.000 -0.000 0.000) 0.000 2.175 ( -0.000 0.000 -0.000) 0.000 2.226 ( 0.000 -0.000 0.000) 0.000 2.310 ( 0.000 -0.000 0.000) 0.000 2.364 ( 0.000 -0.000 0.000) 0.000 2.476 ( 0.000 -0.000 0.000) 0.000 2.783 ( 0.000 -0.000 0.000) 0.000 2.850 ( 0.000 -0.000 0.000) 0.000 2.896 ( 0.000 -0.000 0.000) 0.000 2.913 ( 0.000 -0.000 0.000) 0.000 2.999 ( 0.000 -0.000 0.000) 0.000 3.001 ( 0.000 -0.000 0.000) 0.000 3.198 ( 0.000 -0.000 0.000) 0.000 3.459 ( 0.000 -0.000 0.000) 0.000 3.750 ( 0.000 -0.000 0.000) 0.000 4.487 ( 0.000 -0.000 0.000) 0.000 4.534 ( 0.000 -0.000 0.000) 0.000 4.645 ( 0.000 -0.000 0.000) 0.000 5.603 ( 0.000 -0.000 0.000) 0.000 5.762 ( 0.000 -0.000 0.000) 0.000 5.937 ( 0.000 -0.000 0.000) 0.000 5.989 ( 0.000 -0.000 0.000) 0.000 5.991 ( 0.000 -0.000 0.000) 0.000 6.402 ( 0.000 -0.000 0.000) 0.000 6.552 ( 0.000 -0.000 0.000) 0.000 6.738 ( 0.000 -0.000 0.000) 0.000 7.632 ( 0.000 -0.000 0.000) 0.000 7.745 ( 0.000 -0.000 0.000) 0.000 7.756 ( 0.000 -0.000 0.000) 0.000 7.811 ( 0.000 -0.000 0.000) 0.000 8.265 ( 0.000 -0.000 0.000) 0.000 8.269 ( 0.000 -0.000 0.000) 0.000 8.347 ( 0.000 -0.000 0.000) 0.000 8.350 ( 0.000 -0.000 0.000) 0.000 8.429 ( 0.000 -0.000 0.000) 0.000 8.936 ( 0.000 -0.000 0.000) 0.000 9.154 ( 0.000 -0.000 0.000) 0.000 9.306 ( 0.000 -0.000 0.000) 0.000 9.320 ( 0.000 -0.000 0.000) 0.000 9.365 ( 0.000 -0.000 0.000) 0.000 9.546 ( 0.000 -0.000 0.000) 0.000 9.723 ( 0.000 -0.000 0.000) 0.000 =================== 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 3/15552 10.0 91.274 60.683 70.531 0.000 0.000 0.000 3/15552 20.0 17.582 12.800 13.468 0.000 0.000 0.000 3/15552 30.0 9.299 7.570 6.931 0.000 0.000 0.000 3/15552 40.0 6.756 5.743 4.702 0.000 0.000 0.000 3/15552 50.0 5.516 4.704 3.575 0.000 0.000 0.000 3/15552 60.0 4.725 3.978 2.887 0.000 0.000 0.000 3/15552 70.0 4.147 3.431 2.422 0.000 0.000 0.000 3/15552 80.0 3.696 3.005 2.087 0.000 0.000 0.000 3/15552 90.0 3.333 2.668 1.834 0.000 0.000 0.000 3/15552 100.0 3.034 2.396 1.636 0.000 0.000 0.000 3/15552 110.0 2.784 2.173 1.478 0.000 0.000 0.000 3/15552 120.0 2.572 1.987 1.348 0.000 0.000 0.000 3/15552 130.0 2.390 1.830 1.239 0.000 0.000 0.000 3/15552 140.0 2.231 1.697 1.147 0.000 0.000 0.000 3/15552 150.0 2.092 1.581 1.068 0.000 0.000 0.000 3/15552 160.0 1.970 1.481 0.999 0.000 0.000 0.000 3/15552 170.0 1.861 1.392 0.939 0.000 0.000 0.000 3/15552 180.0 1.763 1.314 0.886 0.000 0.000 0.000 3/15552 190.0 1.675 1.244 0.838 0.000 0.000 0.000 3/15552 200.0 1.596 1.181 0.796 0.000 0.000 0.000 3/15552 210.0 1.523 1.124 0.757 0.000 0.000 0.000 3/15552 220.0 1.457 1.073 0.722 0.000 0.000 0.000 3/15552 230.0 1.396 1.026 0.691 0.000 0.000 0.000 3/15552 240.0 1.341 0.983 0.662 0.000 0.000 0.000 3/15552 250.0 1.289 0.943 0.635 0.000 0.000 0.000 3/15552 260.0 1.241 0.907 0.610 0.000 0.000 0.000 3/15552 270.0 1.197 0.873 0.588 0.000 0.000 0.000 3/15552 280.0 1.156 0.842 0.566 0.000 0.000 0.000 3/15552 290.0 1.117 0.813 0.547 0.000 0.000 0.000 3/15552 300.0 1.081 0.786 0.528 0.000 0.000 0.000 3/15552 310.0 1.047 0.761 0.511 0.000 0.000 0.000 3/15552 320.0 1.016 0.737 0.495 0.000 0.000 0.000 3/15552 330.0 0.986 0.715 0.480 0.000 0.000 0.000 3/15552 340.0 0.957 0.694 0.466 0.000 0.000 0.000 3/15552 350.0 0.931 0.674 0.453 0.000 0.000 0.000 3/15552 360.0 0.906 0.655 0.440 0.000 0.000 0.000 3/15552 370.0 0.882 0.637 0.428 0.000 0.000 0.000 3/15552 380.0 0.859 0.621 0.417 0.000 0.000 0.000 3/15552 390.0 0.838 0.605 0.406 0.000 0.000 0.000 3/15552 400.0 0.817 0.590 0.396 0.000 0.000 0.000 3/15552 410.0 0.798 0.575 0.386 0.000 0.000 0.000 3/15552 420.0 0.779 0.562 0.377 0.000 0.000 0.000 3/15552 430.0 0.761 0.549 0.368 0.000 0.000 0.000 3/15552 440.0 0.744 0.536 0.360 0.000 0.000 0.000 3/15552 450.0 0.728 0.524 0.352 0.000 0.000 0.000 3/15552 460.0 0.713 0.513 0.344 0.000 0.000 0.000 3/15552 470.0 0.698 0.502 0.337 0.000 0.000 0.000 3/15552 480.0 0.683 0.492 0.330 0.000 0.000 0.000 3/15552 490.0 0.670 0.482 0.323 0.000 0.000 0.000 3/15552 500.0 0.657 0.472 0.317 0.000 0.000 0.000 3/15552 510.0 0.644 0.463 0.311 0.000 0.000 0.000 3/15552 520.0 0.632 0.454 0.305 0.000 0.000 0.000 3/15552 530.0 0.620 0.445 0.299 0.000 0.000 0.000 3/15552 540.0 0.609 0.437 0.293 0.000 0.000 0.000 3/15552 550.0 0.598 0.429 0.288 0.000 0.000 0.000 3/15552 560.0 0.587 0.422 0.283 0.000 0.000 0.000 3/15552 570.0 0.577 0.414 0.278 0.000 0.000 0.000 3/15552 580.0 0.567 0.407 0.273 0.000 0.000 0.000 3/15552 590.0 0.558 0.400 0.268 0.000 0.000 0.000 3/15552 600.0 0.549 0.394 0.264 0.000 0.000 0.000 3/15552 610.0 0.540 0.387 0.260 0.000 0.000 0.000 3/15552 620.0 0.531 0.381 0.255 0.000 0.000 0.000 3/15552 630.0 0.523 0.375 0.251 0.000 0.000 0.000 3/15552 640.0 0.515 0.369 0.248 0.000 0.000 0.000 3/15552 650.0 0.507 0.363 0.244 0.000 0.000 0.000 3/15552 660.0 0.499 0.358 0.240 0.000 0.000 0.000 3/15552 670.0 0.492 0.353 0.236 0.000 0.000 0.000 3/15552 680.0 0.485 0.348 0.233 0.000 0.000 0.000 3/15552 690.0 0.478 0.342 0.230 0.000 0.000 0.000 3/15552 700.0 0.471 0.338 0.226 0.000 0.000 0.000 3/15552 710.0 0.465 0.333 0.223 0.000 0.000 0.000 3/15552 720.0 0.458 0.328 0.220 0.000 0.000 0.000 3/15552 730.0 0.452 0.324 0.217 0.000 0.000 0.000 3/15552 740.0 0.446 0.319 0.214 0.000 0.000 0.000 3/15552 750.0 0.440 0.315 0.211 0.000 0.000 0.000 3/15552 760.0 0.434 0.311 0.208 0.000 0.000 0.000 3/15552 770.0 0.429 0.307 0.206 0.000 0.000 0.000 3/15552 780.0 0.423 0.303 0.203 0.000 0.000 0.000 3/15552 790.0 0.418 0.299 0.201 0.000 0.000 0.000 3/15552 800.0 0.413 0.296 0.198 0.000 0.000 0.000 3/15552 810.0 0.408 0.292 0.196 0.000 0.000 0.000 3/15552 820.0 0.403 0.288 0.193 0.000 0.000 0.000 3/15552 830.0 0.398 0.285 0.191 0.000 0.000 0.000 3/15552 840.0 0.393 0.282 0.189 0.000 0.000 0.000 3/15552 850.0 0.389 0.278 0.186 0.000 0.000 0.000 3/15552 860.0 0.384 0.275 0.184 0.000 0.000 0.000 3/15552 870.0 0.380 0.272 0.182 0.000 0.000 0.000 3/15552 880.0 0.376 0.269 0.180 0.000 0.000 0.000 3/15552 890.0 0.372 0.266 0.178 0.000 0.000 0.000 3/15552 900.0 0.367 0.263 0.176 0.000 0.000 0.000 3/15552 910.0 0.363 0.260 0.174 0.000 0.000 0.000 3/15552 920.0 0.360 0.257 0.172 0.000 0.000 0.000 3/15552 930.0 0.356 0.254 0.170 0.000 0.000 0.000 3/15552 940.0 0.352 0.252 0.169 0.000 0.000 0.000 3/15552 950.0 0.348 0.249 0.167 0.000 0.000 0.000 3/15552 960.0 0.345 0.246 0.165 0.000 0.000 0.000 3/15552 970.0 0.341 0.244 0.163 0.000 0.000 0.000 3/15552 980.0 0.338 0.241 0.162 0.000 0.000 0.000 3/15552 990.0 0.334 0.239 0.160 0.000 0.000 0.000 3/15552 1000.0 0.331 0.237 0.158 0.000 0.000 0.000 3/15552 Thermal conductivity related properties were written into "kappa-m1472.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:48:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|