----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 04:14:34]------------------------- 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: [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.081375440000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.498853770000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.336220380000000 Atomic positions (fractional): *1 O 0.62133033194099 0.25000000000000 0.66625911663873 15.999 2 O 0.87866966805901 0.75000000000000 0.16625911663873 15.999 3 O 0.37866966805901 0.75000000000000 0.33374088336127 15.999 4 O 0.12133033194099 0.25000000000000 0.83374088336127 15.999 *5 O 0.64496290253303 0.75000000000000 0.44627229783877 15.999 6 O 0.85503709746697 0.25000000000000 0.94627229783877 15.999 7 O 0.35503709746697 0.25000000000000 0.55372770216123 15.999 8 O 0.14496290253303 0.75000000000000 0.05372770216123 15.999 *9 O 0.28811098419248 0.43738529713197 0.12760734660431 15.999 10 O 0.21188901580752 0.56261470286803 0.62760734660432 15.999 11 O 0.71188901580752 0.93738529713197 0.87239265339568 15.999 12 O 0.78811098419248 0.06261470286803 0.37239265339569 15.999 *13 O 0.97627367523533 0.95844111844001 0.76942607291707 15.999 14 O 0.52372632476467 0.04155888155999 0.26942607291707 15.999 15 O 0.02372632476467 0.45844111844001 0.23057392708293 15.999 16 O 0.47627367523533 0.54155888155999 0.73057392708293 15.999 17 O 0.02372632476467 0.04155888155999 0.23057392708293 15.999 18 O 0.47627367523533 0.95844111844001 0.73057392708293 15.999 19 O 0.97627367523533 0.54155888155999 0.76942607291707 15.999 20 O 0.52372632476467 0.45844111844001 0.26942607291707 15.999 21 O 0.21188901580752 0.93738529713197 0.62760734660432 15.999 22 O 0.28811098419248 0.06261470286803 0.12760734660431 15.999 23 O 0.78811098419248 0.43738529713197 0.37239265339569 15.999 24 O 0.71188901580752 0.56261470286803 0.87239265339568 15.999 *25 Ca 0.04248831151500 0.75000000000000 0.45699228946995 40.078 26 Ca 0.45751168848500 0.25000000000000 0.95699228946995 40.078 27 Ca 0.95751168848500 0.25000000000000 0.54300771053005 40.078 28 Ca 0.54248831151500 0.75000000000000 0.04300771053005 40.078 *29 Ta 0.64062619558268 0.49464280527812 0.54018734521461 180.948 30 Ta 0.85937380441732 0.50535719472188 0.04018734521461 180.948 31 Ta 0.35937380441732 0.99464280527812 0.45981265478539 180.948 32 Ta 0.14062619558268 0.00535719472188 0.95981265478539 180.948 33 Ta 0.85937380441732 0.99464280527812 0.04018734521461 180.948 34 Ta 0.64062619558268 0.00535719472188 0.54018734521461 180.948 35 Ta 0.14062619558268 0.49464280527812 0.95981265478539 180.948 36 Ta 0.35937380441732 0.50535719472188 0.45981265478539 180.948 -------------------------------- unit cell --------------------------------- Lattice vectors: a 11.081375440000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.498853770000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.336220380000000 Atomic positions (fractional): *1 O 0.62133033194099 0.25000000000000 0.66625911663873 15.999 > 1 2 O 0.87866966805901 0.75000000000000 0.16625911663873 15.999 > 2 3 O 0.37866966805901 0.75000000000000 0.33374088336127 15.999 > 3 4 O 0.12133033194099 0.25000000000000 0.83374088336127 15.999 > 4 *5 O 0.64496290253303 0.75000000000000 0.44627229783877 15.999 > 5 6 O 0.85503709746697 0.25000000000000 0.94627229783877 15.999 > 6 7 O 0.35503709746697 0.25000000000000 0.55372770216123 15.999 > 7 8 O 0.14496290253303 0.75000000000000 0.05372770216123 15.999 > 8 *9 O 0.28811098419248 0.43738529713197 0.12760734660431 15.999 > 9 10 O 0.21188901580752 0.56261470286803 0.62760734660432 15.999 > 10 11 O 0.71188901580752 0.93738529713197 0.87239265339568 15.999 > 11 12 O 0.78811098419248 0.06261470286803 0.37239265339569 15.999 > 12 *13 O 0.97627367523533 0.95844111844001 0.76942607291707 15.999 > 13 14 O 0.52372632476467 0.04155888155999 0.26942607291707 15.999 > 14 15 O 0.02372632476467 0.45844111844001 0.23057392708293 15.999 > 15 16 O 0.47627367523533 0.54155888155999 0.73057392708293 15.999 > 16 17 O 0.02372632476467 0.04155888155999 0.23057392708293 15.999 > 17 18 O 0.47627367523533 0.95844111844001 0.73057392708293 15.999 > 18 19 O 0.97627367523533 0.54155888155999 0.76942607291707 15.999 > 19 20 O 0.52372632476467 0.45844111844001 0.26942607291707 15.999 > 20 21 O 0.21188901580752 0.93738529713197 0.62760734660432 15.999 > 21 22 O 0.28811098419248 0.06261470286803 0.12760734660431 15.999 > 22 23 O 0.78811098419248 0.43738529713197 0.37239265339569 15.999 > 23 24 O 0.71188901580752 0.56261470286803 0.87239265339568 15.999 > 24 *25 Ca 0.04248831151500 0.75000000000000 0.45699228946995 40.078 > 25 26 Ca 0.45751168848500 0.25000000000000 0.95699228946995 40.078 > 26 27 Ca 0.95751168848500 0.25000000000000 0.54300771053005 40.078 > 27 28 Ca 0.54248831151500 0.75000000000000 0.04300771053005 40.078 > 28 *29 Ta 0.64062619558268 0.49464280527812 0.54018734521461 180.948 > 29 30 Ta 0.85937380441732 0.50535719472188 0.04018734521461 180.948 > 30 31 Ta 0.35937380441732 0.99464280527812 0.45981265478539 180.948 > 31 32 Ta 0.14062619558268 0.00535719472188 0.95981265478539 180.948 > 32 33 Ta 0.85937380441732 0.99464280527812 0.04018734521461 180.948 > 33 34 Ta 0.64062619558268 0.00535719472188 0.54018734521461 180.948 > 34 35 Ta 0.14062619558268 0.49464280527812 0.95981265478539 180.948 > 35 36 Ta 0.35937380441732 0.50535719472188 0.45981265478539 180.948 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.081375440000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.997707540000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.672440760000001 Atomic positions (fractional): *1 O 0.62133033194099 0.12500000000000 0.33312955831937 15.999 > 1 2 O 0.62133033194099 0.62500000000000 0.33312955831937 15.999 > 1 3 O 0.62133033194099 0.12500000000000 0.83312955831936 15.999 > 1 4 O 0.62133033194099 0.62500000000000 0.83312955831936 15.999 > 1 5 O 0.87866966805901 0.37500000000000 0.08312955831936 15.999 > 2 6 O 0.87866966805901 0.87500000000000 0.08312955831936 15.999 > 2 7 O 0.87866966805901 0.37500000000000 0.58312955831936 15.999 > 2 8 O 0.87866966805901 0.87500000000000 0.58312955831936 15.999 > 2 9 O 0.37866966805901 0.37500000000000 0.16687044168064 15.999 > 3 10 O 0.37866966805901 0.87500000000000 0.16687044168064 15.999 > 3 11 O 0.37866966805901 0.37500000000000 0.66687044168064 15.999 > 3 12 O 0.37866966805901 0.87500000000000 0.66687044168064 15.999 > 3 13 O 0.12133033194099 0.12500000000000 0.41687044168063 15.999 > 4 14 O 0.12133033194099 0.62500000000000 0.41687044168063 15.999 > 4 15 O 0.12133033194099 0.12500000000000 0.91687044168064 15.999 > 4 16 O 0.12133033194099 0.62500000000000 0.91687044168064 15.999 > 4 *17 O 0.64496290253303 0.37500000000000 0.22313614891939 15.999 > 5 18 O 0.64496290253303 0.87500000000000 0.22313614891939 15.999 > 5 19 O 0.64496290253303 0.37500000000000 0.72313614891939 15.999 > 5 20 O 0.64496290253303 0.87500000000000 0.72313614891939 15.999 > 5 21 O 0.85503709746697 0.12500000000000 0.47313614891939 15.999 > 6 22 O 0.85503709746697 0.62500000000000 0.47313614891939 15.999 > 6 23 O 0.85503709746697 0.12500000000000 0.97313614891939 15.999 > 6 24 O 0.85503709746697 0.62500000000000 0.97313614891939 15.999 > 6 25 O 0.35503709746697 0.12500000000000 0.27686385108061 15.999 > 7 26 O 0.35503709746697 0.62500000000000 0.27686385108061 15.999 > 7 27 O 0.35503709746697 0.12500000000000 0.77686385108061 15.999 > 7 28 O 0.35503709746697 0.62500000000000 0.77686385108061 15.999 > 7 29 O 0.14496290253303 0.37500000000000 0.02686385108061 15.999 > 8 30 O 0.14496290253303 0.87500000000000 0.02686385108061 15.999 > 8 31 O 0.14496290253303 0.37500000000000 0.52686385108061 15.999 > 8 32 O 0.14496290253303 0.87500000000000 0.52686385108061 15.999 > 8 *33 O 0.28811098419248 0.21869264856599 0.06380367330216 15.999 > 9 34 O 0.28811098419248 0.71869264856599 0.06380367330216 15.999 > 9 35 O 0.28811098419248 0.21869264856599 0.56380367330216 15.999 > 9 36 O 0.28811098419248 0.71869264856599 0.56380367330216 15.999 > 9 37 O 0.21188901580752 0.28130735143401 0.31380367330216 15.999 > 10 38 O 0.21188901580752 0.78130735143401 0.31380367330216 15.999 > 10 39 O 0.21188901580752 0.28130735143401 0.81380367330216 15.999 > 10 40 O 0.21188901580752 0.78130735143401 0.81380367330216 15.999 > 10 41 O 0.71188901580752 0.46869264856599 0.43619632669784 15.999 > 11 42 O 0.71188901580752 0.96869264856599 0.43619632669784 15.999 > 11 43 O 0.71188901580752 0.46869264856599 0.93619632669784 15.999 > 11 44 O 0.71188901580752 0.96869264856599 0.93619632669784 15.999 > 11 45 O 0.78811098419248 0.03130735143401 0.18619632669784 15.999 > 12 46 O 0.78811098419248 0.53130735143401 0.18619632669784 15.999 > 12 47 O 0.78811098419248 0.03130735143401 0.68619632669784 15.999 > 12 48 O 0.78811098419248 0.53130735143401 0.68619632669784 15.999 > 12 *49 O 0.97627367523533 0.47922055922001 0.38471303645853 15.999 > 13 50 O 0.97627367523533 0.97922055922001 0.38471303645853 15.999 > 13 51 O 0.97627367523533 0.47922055922001 0.88471303645853 15.999 > 13 52 O 0.97627367523533 0.97922055922001 0.88471303645853 15.999 > 13 53 O 0.52372632476467 0.02077944077999 0.13471303645853 15.999 > 14 54 O 0.52372632476467 0.52077944077999 0.13471303645853 15.999 > 14 55 O 0.52372632476467 0.02077944077999 0.63471303645853 15.999 > 14 56 O 0.52372632476467 0.52077944077999 0.63471303645853 15.999 > 14 57 O 0.02372632476467 0.22922055922001 0.11528696354147 15.999 > 15 58 O 0.02372632476467 0.72922055922001 0.11528696354147 15.999 > 15 59 O 0.02372632476467 0.22922055922001 0.61528696354147 15.999 > 15 60 O 0.02372632476467 0.72922055922001 0.61528696354147 15.999 > 15 61 O 0.47627367523533 0.27077944077999 0.36528696354147 15.999 > 16 62 O 0.47627367523533 0.77077944077999 0.36528696354147 15.999 > 16 63 O 0.47627367523533 0.27077944077999 0.86528696354147 15.999 > 16 64 O 0.47627367523533 0.77077944077999 0.86528696354147 15.999 > 16 65 O 0.02372632476467 0.02077944077999 0.11528696354147 15.999 > 17 66 O 0.02372632476467 0.52077944077999 0.11528696354147 15.999 > 17 67 O 0.02372632476467 0.02077944077999 0.61528696354147 15.999 > 17 68 O 0.02372632476467 0.52077944077999 0.61528696354147 15.999 > 17 69 O 0.47627367523533 0.47922055922001 0.36528696354147 15.999 > 18 70 O 0.47627367523533 0.97922055922001 0.36528696354147 15.999 > 18 71 O 0.47627367523533 0.47922055922001 0.86528696354147 15.999 > 18 72 O 0.47627367523533 0.97922055922001 0.86528696354147 15.999 > 18 73 O 0.97627367523533 0.27077944077999 0.38471303645853 15.999 > 19 74 O 0.97627367523533 0.77077944077999 0.38471303645853 15.999 > 19 75 O 0.97627367523533 0.27077944077999 0.88471303645853 15.999 > 19 76 O 0.97627367523533 0.77077944077999 0.88471303645853 15.999 > 19 77 O 0.52372632476467 0.22922055922001 0.13471303645853 15.999 > 20 78 O 0.52372632476467 0.72922055922001 0.13471303645853 15.999 > 20 79 O 0.52372632476467 0.22922055922001 0.63471303645853 15.999 > 20 80 O 0.52372632476467 0.72922055922001 0.63471303645853 15.999 > 20 81 O 0.21188901580752 0.46869264856599 0.31380367330216 15.999 > 21 82 O 0.21188901580752 0.96869264856599 0.31380367330216 15.999 > 21 83 O 0.21188901580752 0.46869264856599 0.81380367330216 15.999 > 21 84 O 0.21188901580752 0.96869264856599 0.81380367330216 15.999 > 21 85 O 0.28811098419248 0.03130735143401 0.06380367330216 15.999 > 22 86 O 0.28811098419248 0.53130735143401 0.06380367330216 15.999 > 22 87 O 0.28811098419248 0.03130735143401 0.56380367330216 15.999 > 22 88 O 0.28811098419248 0.53130735143401 0.56380367330216 15.999 > 22 89 O 0.78811098419248 0.21869264856599 0.18619632669784 15.999 > 23 90 O 0.78811098419248 0.71869264856599 0.18619632669784 15.999 > 23 91 O 0.78811098419248 0.21869264856599 0.68619632669784 15.999 > 23 92 O 0.78811098419248 0.71869264856599 0.68619632669784 15.999 > 23 93 O 0.71188901580752 0.28130735143401 0.43619632669784 15.999 > 24 94 O 0.71188901580752 0.78130735143401 0.43619632669784 15.999 > 24 95 O 0.71188901580752 0.28130735143401 0.93619632669784 15.999 > 24 96 O 0.71188901580752 0.78130735143401 0.93619632669784 15.999 > 24 *97 Ca 0.04248831151500 0.37500000000000 0.22849614473498 40.078 > 25 98 Ca 0.04248831151500 0.87500000000000 0.22849614473498 40.078 > 25 99 Ca 0.04248831151500 0.37500000000000 0.72849614473498 40.078 > 25 100 Ca 0.04248831151500 0.87500000000000 0.72849614473498 40.078 > 25 101 Ca 0.45751168848500 0.12500000000000 0.47849614473498 40.078 > 26 102 Ca 0.45751168848500 0.62500000000000 0.47849614473498 40.078 > 26 103 Ca 0.45751168848500 0.12500000000000 0.97849614473498 40.078 > 26 104 Ca 0.45751168848500 0.62500000000000 0.97849614473498 40.078 > 26 105 Ca 0.95751168848500 0.12500000000000 0.27150385526502 40.078 > 27 106 Ca 0.95751168848500 0.62500000000000 0.27150385526502 40.078 > 27 107 Ca 0.95751168848500 0.12500000000000 0.77150385526502 40.078 > 27 108 Ca 0.95751168848500 0.62500000000000 0.77150385526502 40.078 > 27 109 Ca 0.54248831151500 0.37500000000000 0.02150385526502 40.078 > 28 110 Ca 0.54248831151500 0.87500000000000 0.02150385526502 40.078 > 28 111 Ca 0.54248831151500 0.37500000000000 0.52150385526502 40.078 > 28 112 Ca 0.54248831151500 0.87500000000000 0.52150385526502 40.078 > 28 *113 Ta 0.64062619558268 0.24732140263906 0.27009367260730 180.948 > 29 114 Ta 0.64062619558268 0.74732140263906 0.27009367260730 180.948 > 29 115 Ta 0.64062619558268 0.24732140263906 0.77009367260730 180.948 > 29 116 Ta 0.64062619558268 0.74732140263906 0.77009367260730 180.948 > 29 117 Ta 0.85937380441732 0.25267859736094 0.02009367260731 180.948 > 30 118 Ta 0.85937380441732 0.75267859736094 0.02009367260731 180.948 > 30 119 Ta 0.85937380441732 0.25267859736094 0.52009367260730 180.948 > 30 120 Ta 0.85937380441732 0.75267859736094 0.52009367260730 180.948 > 30 121 Ta 0.35937380441732 0.49732140263906 0.22990632739269 180.948 > 31 122 Ta 0.35937380441732 0.99732140263906 0.22990632739269 180.948 > 31 123 Ta 0.35937380441732 0.49732140263906 0.72990632739269 180.948 > 31 124 Ta 0.35937380441732 0.99732140263906 0.72990632739269 180.948 > 31 125 Ta 0.14062619558268 0.00267859736094 0.47990632739270 180.948 > 32 126 Ta 0.14062619558268 0.50267859736094 0.47990632739270 180.948 > 32 127 Ta 0.14062619558268 0.00267859736094 0.97990632739270 180.948 > 32 128 Ta 0.14062619558268 0.50267859736094 0.97990632739270 180.948 > 32 129 Ta 0.85937380441732 0.49732140263906 0.02009367260731 180.948 > 33 130 Ta 0.85937380441732 0.99732140263906 0.02009367260731 180.948 > 33 131 Ta 0.85937380441732 0.49732140263906 0.52009367260730 180.948 > 33 132 Ta 0.85937380441732 0.99732140263906 0.52009367260730 180.948 > 33 133 Ta 0.64062619558268 0.00267859736094 0.27009367260730 180.948 > 34 134 Ta 0.64062619558268 0.50267859736094 0.27009367260730 180.948 > 34 135 Ta 0.64062619558268 0.00267859736094 0.77009367260730 180.948 > 34 136 Ta 0.64062619558268 0.50267859736094 0.77009367260730 180.948 > 34 137 Ta 0.14062619558268 0.24732140263906 0.47990632739270 180.948 > 35 138 Ta 0.14062619558268 0.74732140263906 0.47990632739270 180.948 > 35 139 Ta 0.14062619558268 0.24732140263906 0.97990632739270 180.948 > 35 140 Ta 0.14062619558268 0.74732140263906 0.97990632739270 180.948 > 35 141 Ta 0.35937380441732 0.25267859736094 0.22990632739269 180.948 > 36 142 Ta 0.35937380441732 0.75267859736094 0.22990632739269 180.948 > 36 143 Ta 0.35937380441732 0.25267859736094 0.72990632739269 180.948 > 36 144 Ta 0.35937380441732 0.75267859736094 0.72990632739269 180.948 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.1880530 0.0000000 0.0000000 0.0000000 5.4552707 0.0000000 0.0000000 0.0000000 4.5190082 -------------------------- Born effective charges -------------------------- 1 O -1.5542250 0.0000000 0.1853522 0.0000000 -5.7519710 0.0000000 0.2878066 0.0000000 -1.5197144 2 O -1.5542250 0.0000000 -0.1853522 0.0000000 -5.7519710 0.0000000 -0.2878066 0.0000000 -1.5197144 3 O -1.5542250 0.0000000 0.1853522 0.0000000 -5.7519710 0.0000000 0.2878066 0.0000000 -1.5197144 4 O -1.5542250 0.0000000 -0.1853522 0.0000000 -5.7519710 0.0000000 -0.2878066 0.0000000 -1.5197144 5 O -1.3192183 0.0000000 -0.2803499 0.0000000 -6.0707445 0.0000000 -0.0719227 0.0000000 -1.5041909 6 O -1.3192183 0.0000000 0.2803499 0.0000000 -6.0707445 0.0000000 0.0719227 0.0000000 -1.5041909 7 O -1.3192183 0.0000000 -0.2803499 0.0000000 -6.0707445 0.0000000 -0.0719227 0.0000000 -1.5041909 8 O -1.3192183 0.0000000 0.2803499 0.0000000 -6.0707445 0.0000000 0.0719227 0.0000000 -1.5041909 9 O -3.5540595 0.2485866 -2.0825903 0.2713888 -1.5059256 -0.2052852 -1.8325252 -0.1710247 -3.2456749 10 O -3.5540595 0.2485866 2.0825903 0.2713888 -1.5059256 0.2052852 1.8325252 0.1710247 -3.2456749 11 O -3.5540595 -0.2485866 -2.0825903 -0.2713888 -1.5059256 0.2052852 -1.8325252 0.1710247 -3.2456749 12 O -3.5540595 -0.2485866 2.0825903 -0.2713888 -1.5059256 -0.2052852 1.8325252 -0.1710247 -3.2456749 13 O -3.6388872 0.0984455 0.6815023 0.1287331 -1.7381052 -0.1337293 0.2971040 -0.2293296 -2.3616806 14 O -3.6388872 0.0984455 -0.6815023 0.1287331 -1.7381052 0.1337293 -0.2971040 0.2293296 -2.3616806 15 O -3.6388872 -0.0984455 0.6815023 -0.1287331 -1.7381052 0.1337293 0.2971040 0.2293296 -2.3616806 16 O -3.6388872 -0.0984455 -0.6815023 -0.1287331 -1.7381052 -0.1337293 -0.2971040 -0.2293296 -2.3616806 17 O -3.6388872 0.0984455 0.6815023 0.1287331 -1.7381052 -0.1337293 0.2971040 -0.2293296 -2.3616806 18 O -3.6388872 0.0984455 -0.6815023 0.1287331 -1.7381052 0.1337293 -0.2971040 0.2293296 -2.3616806 19 O -3.6388872 -0.0984455 0.6815023 -0.1287331 -1.7381052 0.1337293 0.2971040 0.2293296 -2.3616806 20 O -3.6388872 -0.0984455 -0.6815023 -0.1287331 -1.7381052 -0.1337293 -0.2971040 -0.2293296 -2.3616806 21 O -3.5540595 -0.2485866 2.0825903 -0.2713888 -1.5059256 -0.2052852 1.8325252 -0.1710247 -3.2456749 22 O -3.5540595 -0.2485866 -2.0825903 -0.2713888 -1.5059256 0.2052852 -1.8325252 0.1710247 -3.2456749 23 O -3.5540595 0.2485866 2.0825903 0.2713888 -1.5059256 0.2052852 1.8325252 0.1710247 -3.2456749 24 O -3.5540595 0.2485866 -2.0825903 0.2713888 -1.5059256 -0.2052852 -1.8325252 -0.1710247 -3.2456749 25 Ca 2.3408036 0.0000000 0.1799226 0.0000000 2.4155468 0.0000000 0.2313207 0.0000000 3.2080101 26 Ca 2.3408036 0.0000000 -0.1799226 0.0000000 2.4155468 0.0000000 -0.2313207 0.0000000 3.2080101 27 Ca 2.3408036 0.0000000 0.1799226 0.0000000 2.4155468 0.0000000 0.2313207 0.0000000 3.2080101 28 Ca 2.3408036 0.0000000 -0.1799226 0.0000000 2.4155468 0.0000000 -0.2313207 0.0000000 3.2080101 29 Ta 7.4592665 0.0199367 1.0687661 0.2383506 7.9476151 -1.4807238 -0.3142010 0.4243661 5.5153031 30 Ta 7.4592665 0.0199367 -1.0687661 0.2383506 7.9476151 1.4807238 0.3142010 -0.4243661 5.5153031 31 Ta 7.4592665 -0.0199367 1.0687661 -0.2383506 7.9476151 1.4807238 -0.3142010 -0.4243661 5.5153031 32 Ta 7.4592665 -0.0199367 -1.0687661 -0.2383506 7.9476151 -1.4807238 0.3142010 0.4243661 5.5153031 33 Ta 7.4592665 -0.0199367 -1.0687661 -0.2383506 7.9476151 -1.4807238 0.3142010 0.4243661 5.5153031 34 Ta 7.4592665 -0.0199367 1.0687661 -0.2383506 7.9476151 1.4807238 -0.3142010 -0.4243661 5.5153031 35 Ta 7.4592665 0.0199367 -1.0687661 0.2383506 7.9476151 1.4807238 0.3142010 -0.4243661 5.5153031 36 Ta 7.4592665 0.0199367 1.0687661 0.2383506 7.9476151 -1.4807238 -0.3142010 0.4243661 5.5153031 ---------------------------------------------------------------------------- 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: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3069 Number of blocks in projector: 3069 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: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 684 / 684 (1) 176 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (2) Block: 250 / 500 (2) 244 eigenvectors found. (2) Block: 500 / 500 (2) 244 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 494 eigenvectors found. (1) Block: 612 / 612 (1) 106 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (2) Block: 250 / 500 (2) 244 eigenvectors found. (2) Block: 500 / 500 (2) 244 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 494 eigenvectors found. (1) Block: 612 / 612 (1) 107 eigenvectors found. (1) Complementary block size: 11 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 387 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 387 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 387 Use standard eigh solver. Tree of FC basis block matrices: - (3069, 3027), data: False |-- (387, 381), data: True |-- (387, 381), data: True |-- (387, 381), data: True |-- (612, 606), data: False |-- (612, 5), data: (612, 11) @ (11, 5) |-- (112, 107), data: True |-- (500, 494), data: False |-- (500, 6), data: (500, 12) @ (12, 6) |-- (250, 244), data: True |-- (250, 244), data: True |-- (612, 606), data: False |-- (612, 6), data: (612, 12) @ (12, 6) |-- (112, 106), data: True |-- (500, 494), data: False |-- (500, 6), data: (500, 12) @ (12, 6) |-- (250, 244), data: True |-- (250, 244), data: True |-- (684, 672), data: False |-- (684, 8), data: (684, 20) @ (20, 8) |-- (184, 176), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 560 - Time: 1.121 Solver_block: 200 / 560 - Time: 0.960 Solver_block: 300 / 560 - Time: 0.987 Solver_block: 400 / 560 - Time: 0.942 Solver_block: 500 / 560 - Time: 0.950 Solver_block: 560 / 560 - Time: 0.624 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.873 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3069 Number of blocks in projector: 3069 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: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 684 / 684 (1) 176 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (2) Block: 250 / 500 (2) 244 eigenvectors found. (2) Block: 500 / 500 (2) 244 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 494 eigenvectors found. (1) Block: 612 / 612 (1) 106 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (2) Block: 250 / 500 (2) 244 eigenvectors found. (2) Block: 500 / 500 (2) 244 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 494 eigenvectors found. (1) Block: 612 / 612 (1) 107 eigenvectors found. (1) Complementary block size: 11 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 387 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 387 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 387 Use standard eigh solver. Tree of FC basis block matrices: - (3069, 3027), data: False |-- (387, 381), data: True |-- (387, 381), data: True |-- (387, 381), data: True |-- (612, 606), data: False |-- (612, 5), data: (612, 11) @ (11, 5) |-- (112, 107), data: True |-- (500, 494), data: False |-- (500, 6), data: (500, 12) @ (12, 6) |-- (250, 244), data: True |-- (250, 244), data: True |-- (612, 606), data: False |-- (612, 6), data: (612, 12) @ (12, 6) |-- (112, 106), data: True |-- (500, 494), data: False |-- (500, 6), data: (500, 12) @ (12, 6) |-- (250, 244), data: True |-- (250, 244), data: True |-- (684, 672), data: False |-- (684, 8), data: (684, 20) @ (20, 8) |-- (184, 176), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 04:15:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:15:18]------------------------- 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): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.081375440000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.498853770000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.336220380000000 Atomic positions (fractional): 1 O 0.62133033194099 0.25000000000000 0.66625911663873 15.999 2 O 0.87866966805901 0.75000000000000 0.16625911663873 15.999 3 O 0.37866966805901 0.75000000000000 0.33374088336127 15.999 4 O 0.12133033194099 0.25000000000000 0.83374088336127 15.999 5 O 0.64496290253303 0.75000000000000 0.44627229783877 15.999 6 O 0.85503709746697 0.25000000000000 0.94627229783877 15.999 7 O 0.35503709746697 0.25000000000000 0.55372770216123 15.999 8 O 0.14496290253303 0.75000000000000 0.05372770216123 15.999 9 O 0.28811098419248 0.43738529713197 0.12760734660431 15.999 10 O 0.21188901580752 0.56261470286803 0.62760734660432 15.999 11 O 0.71188901580752 0.93738529713197 0.87239265339568 15.999 12 O 0.78811098419248 0.06261470286803 0.37239265339569 15.999 13 O 0.97627367523533 0.95844111844001 0.76942607291707 15.999 14 O 0.52372632476467 0.04155888155999 0.26942607291707 15.999 15 O 0.02372632476467 0.45844111844001 0.23057392708293 15.999 16 O 0.47627367523533 0.54155888155999 0.73057392708293 15.999 17 O 0.02372632476467 0.04155888155999 0.23057392708293 15.999 18 O 0.47627367523533 0.95844111844001 0.73057392708293 15.999 19 O 0.97627367523533 0.54155888155999 0.76942607291707 15.999 20 O 0.52372632476467 0.45844111844001 0.26942607291707 15.999 21 O 0.21188901580752 0.93738529713197 0.62760734660432 15.999 22 O 0.28811098419248 0.06261470286803 0.12760734660431 15.999 23 O 0.78811098419248 0.43738529713197 0.37239265339569 15.999 24 O 0.71188901580752 0.56261470286803 0.87239265339568 15.999 25 Ca 0.04248831151500 0.75000000000000 0.45699228946995 40.078 26 Ca 0.45751168848500 0.25000000000000 0.95699228946995 40.078 27 Ca 0.95751168848500 0.25000000000000 0.54300771053005 40.078 28 Ca 0.54248831151500 0.75000000000000 0.04300771053005 40.078 29 Ta 0.64062619558268 0.49464280527812 0.54018734521461 180.948 30 Ta 0.85937380441732 0.50535719472188 0.04018734521461 180.948 31 Ta 0.35937380441732 0.99464280527812 0.45981265478539 180.948 32 Ta 0.14062619558268 0.00535719472188 0.95981265478539 180.948 33 Ta 0.85937380441732 0.99464280527812 0.04018734521461 180.948 34 Ta 0.64062619558268 0.00535719472188 0.54018734521461 180.948 35 Ta 0.14062619558268 0.49464280527812 0.95981265478539 180.948 36 Ta 0.35937380441732 0.50535719472188 0.45981265478539 180.948 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.081375440000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.997707540000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.672440760000001 Atomic positions (fractional): 1 O 0.62133033194099 0.12500000000000 0.33312955831937 15.999 > 1 2 O 0.62133033194099 0.62500000000000 0.33312955831937 15.999 > 1 3 O 0.62133033194099 0.12500000000000 0.83312955831936 15.999 > 1 4 O 0.62133033194099 0.62500000000000 0.83312955831936 15.999 > 1 5 O 0.87866966805901 0.37500000000000 0.08312955831936 15.999 > 5 6 O 0.87866966805901 0.87500000000000 0.08312955831936 15.999 > 5 7 O 0.87866966805901 0.37500000000000 0.58312955831936 15.999 > 5 8 O 0.87866966805901 0.87500000000000 0.58312955831936 15.999 > 5 9 O 0.37866966805901 0.37500000000000 0.16687044168064 15.999 > 9 10 O 0.37866966805901 0.87500000000000 0.16687044168064 15.999 > 9 11 O 0.37866966805901 0.37500000000000 0.66687044168064 15.999 > 9 12 O 0.37866966805901 0.87500000000000 0.66687044168064 15.999 > 9 13 O 0.12133033194099 0.12500000000000 0.41687044168063 15.999 > 13 14 O 0.12133033194099 0.62500000000000 0.41687044168063 15.999 > 13 15 O 0.12133033194099 0.12500000000000 0.91687044168064 15.999 > 13 16 O 0.12133033194099 0.62500000000000 0.91687044168064 15.999 > 13 17 O 0.64496290253303 0.37500000000000 0.22313614891939 15.999 > 17 18 O 0.64496290253303 0.87500000000000 0.22313614891939 15.999 > 17 19 O 0.64496290253303 0.37500000000000 0.72313614891939 15.999 > 17 20 O 0.64496290253303 0.87500000000000 0.72313614891939 15.999 > 17 21 O 0.85503709746697 0.12500000000000 0.47313614891939 15.999 > 21 22 O 0.85503709746697 0.62500000000000 0.47313614891939 15.999 > 21 23 O 0.85503709746697 0.12500000000000 0.97313614891939 15.999 > 21 24 O 0.85503709746697 0.62500000000000 0.97313614891939 15.999 > 21 25 O 0.35503709746697 0.12500000000000 0.27686385108061 15.999 > 25 26 O 0.35503709746697 0.62500000000000 0.27686385108061 15.999 > 25 27 O 0.35503709746697 0.12500000000000 0.77686385108061 15.999 > 25 28 O 0.35503709746697 0.62500000000000 0.77686385108061 15.999 > 25 29 O 0.14496290253303 0.37500000000000 0.02686385108061 15.999 > 29 30 O 0.14496290253303 0.87500000000000 0.02686385108061 15.999 > 29 31 O 0.14496290253303 0.37500000000000 0.52686385108061 15.999 > 29 32 O 0.14496290253303 0.87500000000000 0.52686385108061 15.999 > 29 33 O 0.28811098419248 0.21869264856599 0.06380367330216 15.999 > 33 34 O 0.28811098419248 0.71869264856599 0.06380367330216 15.999 > 33 35 O 0.28811098419248 0.21869264856599 0.56380367330216 15.999 > 33 36 O 0.28811098419248 0.71869264856599 0.56380367330216 15.999 > 33 37 O 0.21188901580752 0.28130735143401 0.31380367330216 15.999 > 37 38 O 0.21188901580752 0.78130735143401 0.31380367330216 15.999 > 37 39 O 0.21188901580752 0.28130735143401 0.81380367330216 15.999 > 37 40 O 0.21188901580752 0.78130735143401 0.81380367330216 15.999 > 37 41 O 0.71188901580752 0.46869264856599 0.43619632669784 15.999 > 41 42 O 0.71188901580752 0.96869264856599 0.43619632669784 15.999 > 41 43 O 0.71188901580752 0.46869264856599 0.93619632669784 15.999 > 41 44 O 0.71188901580752 0.96869264856599 0.93619632669784 15.999 > 41 45 O 0.78811098419248 0.03130735143401 0.18619632669784 15.999 > 45 46 O 0.78811098419248 0.53130735143401 0.18619632669784 15.999 > 45 47 O 0.78811098419248 0.03130735143401 0.68619632669784 15.999 > 45 48 O 0.78811098419248 0.53130735143401 0.68619632669784 15.999 > 45 49 O 0.97627367523533 0.47922055922001 0.38471303645853 15.999 > 49 50 O 0.97627367523533 0.97922055922001 0.38471303645853 15.999 > 49 51 O 0.97627367523533 0.47922055922001 0.88471303645853 15.999 > 49 52 O 0.97627367523533 0.97922055922001 0.88471303645853 15.999 > 49 53 O 0.52372632476467 0.02077944077999 0.13471303645853 15.999 > 53 54 O 0.52372632476467 0.52077944077999 0.13471303645853 15.999 > 53 55 O 0.52372632476467 0.02077944077999 0.63471303645853 15.999 > 53 56 O 0.52372632476467 0.52077944077999 0.63471303645853 15.999 > 53 57 O 0.02372632476467 0.22922055922001 0.11528696354147 15.999 > 57 58 O 0.02372632476467 0.72922055922001 0.11528696354147 15.999 > 57 59 O 0.02372632476467 0.22922055922001 0.61528696354147 15.999 > 57 60 O 0.02372632476467 0.72922055922001 0.61528696354147 15.999 > 57 61 O 0.47627367523533 0.27077944077999 0.36528696354147 15.999 > 61 62 O 0.47627367523533 0.77077944077999 0.36528696354147 15.999 > 61 63 O 0.47627367523533 0.27077944077999 0.86528696354147 15.999 > 61 64 O 0.47627367523533 0.77077944077999 0.86528696354147 15.999 > 61 65 O 0.02372632476467 0.02077944077999 0.11528696354147 15.999 > 65 66 O 0.02372632476467 0.52077944077999 0.11528696354147 15.999 > 65 67 O 0.02372632476467 0.02077944077999 0.61528696354147 15.999 > 65 68 O 0.02372632476467 0.52077944077999 0.61528696354147 15.999 > 65 69 O 0.47627367523533 0.47922055922001 0.36528696354147 15.999 > 69 70 O 0.47627367523533 0.97922055922001 0.36528696354147 15.999 > 69 71 O 0.47627367523533 0.47922055922001 0.86528696354147 15.999 > 69 72 O 0.47627367523533 0.97922055922001 0.86528696354147 15.999 > 69 73 O 0.97627367523533 0.27077944077999 0.38471303645853 15.999 > 73 74 O 0.97627367523533 0.77077944077999 0.38471303645853 15.999 > 73 75 O 0.97627367523533 0.27077944077999 0.88471303645853 15.999 > 73 76 O 0.97627367523533 0.77077944077999 0.88471303645853 15.999 > 73 77 O 0.52372632476467 0.22922055922001 0.13471303645853 15.999 > 77 78 O 0.52372632476467 0.72922055922001 0.13471303645853 15.999 > 77 79 O 0.52372632476467 0.22922055922001 0.63471303645853 15.999 > 77 80 O 0.52372632476467 0.72922055922001 0.63471303645853 15.999 > 77 81 O 0.21188901580752 0.46869264856599 0.31380367330216 15.999 > 81 82 O 0.21188901580752 0.96869264856599 0.31380367330216 15.999 > 81 83 O 0.21188901580752 0.46869264856599 0.81380367330216 15.999 > 81 84 O 0.21188901580752 0.96869264856599 0.81380367330216 15.999 > 81 85 O 0.28811098419248 0.03130735143401 0.06380367330216 15.999 > 85 86 O 0.28811098419248 0.53130735143401 0.06380367330216 15.999 > 85 87 O 0.28811098419248 0.03130735143401 0.56380367330216 15.999 > 85 88 O 0.28811098419248 0.53130735143401 0.56380367330216 15.999 > 85 89 O 0.78811098419248 0.21869264856599 0.18619632669784 15.999 > 89 90 O 0.78811098419248 0.71869264856599 0.18619632669784 15.999 > 89 91 O 0.78811098419248 0.21869264856599 0.68619632669784 15.999 > 89 92 O 0.78811098419248 0.71869264856599 0.68619632669784 15.999 > 89 93 O 0.71188901580752 0.28130735143401 0.43619632669784 15.999 > 93 94 O 0.71188901580752 0.78130735143401 0.43619632669784 15.999 > 93 95 O 0.71188901580752 0.28130735143401 0.93619632669784 15.999 > 93 96 O 0.71188901580752 0.78130735143401 0.93619632669784 15.999 > 93 97 Ca 0.04248831151500 0.37500000000000 0.22849614473498 40.078 > 97 98 Ca 0.04248831151500 0.87500000000000 0.22849614473498 40.078 > 97 99 Ca 0.04248831151500 0.37500000000000 0.72849614473498 40.078 > 97 100 Ca 0.04248831151500 0.87500000000000 0.72849614473498 40.078 > 97 101 Ca 0.45751168848500 0.12500000000000 0.47849614473498 40.078 > 101 102 Ca 0.45751168848500 0.62500000000000 0.47849614473498 40.078 > 101 103 Ca 0.45751168848500 0.12500000000000 0.97849614473498 40.078 > 101 104 Ca 0.45751168848500 0.62500000000000 0.97849614473498 40.078 > 101 105 Ca 0.95751168848500 0.12500000000000 0.27150385526502 40.078 > 105 106 Ca 0.95751168848500 0.62500000000000 0.27150385526502 40.078 > 105 107 Ca 0.95751168848500 0.12500000000000 0.77150385526502 40.078 > 105 108 Ca 0.95751168848500 0.62500000000000 0.77150385526502 40.078 > 105 109 Ca 0.54248831151500 0.37500000000000 0.02150385526502 40.078 > 109 110 Ca 0.54248831151500 0.87500000000000 0.02150385526502 40.078 > 109 111 Ca 0.54248831151500 0.37500000000000 0.52150385526502 40.078 > 109 112 Ca 0.54248831151500 0.87500000000000 0.52150385526502 40.078 > 109 113 Ta 0.64062619558268 0.24732140263906 0.27009367260730 180.948 > 113 114 Ta 0.64062619558268 0.74732140263906 0.27009367260730 180.948 > 113 115 Ta 0.64062619558268 0.24732140263906 0.77009367260730 180.948 > 113 116 Ta 0.64062619558268 0.74732140263906 0.77009367260730 180.948 > 113 117 Ta 0.85937380441732 0.25267859736094 0.02009367260731 180.948 > 117 118 Ta 0.85937380441732 0.75267859736094 0.02009367260731 180.948 > 117 119 Ta 0.85937380441732 0.25267859736094 0.52009367260730 180.948 > 117 120 Ta 0.85937380441732 0.75267859736094 0.52009367260730 180.948 > 117 121 Ta 0.35937380441732 0.49732140263906 0.22990632739269 180.948 > 121 122 Ta 0.35937380441732 0.99732140263906 0.22990632739269 180.948 > 121 123 Ta 0.35937380441732 0.49732140263906 0.72990632739269 180.948 > 121 124 Ta 0.35937380441732 0.99732140263906 0.72990632739269 180.948 > 121 125 Ta 0.14062619558268 0.00267859736094 0.47990632739270 180.948 > 125 126 Ta 0.14062619558268 0.50267859736094 0.47990632739270 180.948 > 125 127 Ta 0.14062619558268 0.00267859736094 0.97990632739270 180.948 > 125 128 Ta 0.14062619558268 0.50267859736094 0.97990632739270 180.948 > 125 129 Ta 0.85937380441732 0.49732140263906 0.02009367260731 180.948 > 129 130 Ta 0.85937380441732 0.99732140263906 0.02009367260731 180.948 > 129 131 Ta 0.85937380441732 0.49732140263906 0.52009367260730 180.948 > 129 132 Ta 0.85937380441732 0.99732140263906 0.52009367260730 180.948 > 129 133 Ta 0.64062619558268 0.00267859736094 0.27009367260730 180.948 > 133 134 Ta 0.64062619558268 0.50267859736094 0.27009367260730 180.948 > 133 135 Ta 0.64062619558268 0.00267859736094 0.77009367260730 180.948 > 133 136 Ta 0.64062619558268 0.50267859736094 0.77009367260730 180.948 > 133 137 Ta 0.14062619558268 0.24732140263906 0.47990632739270 180.948 > 137 138 Ta 0.14062619558268 0.74732140263906 0.47990632739270 180.948 > 137 139 Ta 0.14062619558268 0.24732140263906 0.97990632739270 180.948 > 137 140 Ta 0.14062619558268 0.74732140263906 0.97990632739270 180.948 > 137 141 Ta 0.35937380441732 0.25267859736094 0.22990632739269 180.948 > 141 142 Ta 0.35937380441732 0.75267859736094 0.22990632739269 180.948 > 141 143 Ta 0.35937380441732 0.25267859736094 0.72990632739269 180.948 > 141 144 Ta 0.35937380441732 0.75267859736094 0.72990632739269 180.948 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.1880530 0.0000000 0.0000000 0.0000000 5.4552707 0.0000000 0.0000000 0.0000000 4.5190082 -------------------------- Born effective charges -------------------------- 1 O -1.5542250 0.0000000 0.1853522 0.0000000 -5.7519710 0.0000000 0.2878066 0.0000000 -1.5197144 2 O -1.5542250 0.0000000 -0.1853522 0.0000000 -5.7519710 0.0000000 -0.2878066 0.0000000 -1.5197144 3 O -1.5542250 0.0000000 0.1853522 0.0000000 -5.7519710 0.0000000 0.2878066 0.0000000 -1.5197144 4 O -1.5542250 0.0000000 -0.1853522 0.0000000 -5.7519710 0.0000000 -0.2878066 0.0000000 -1.5197144 5 O -1.3192183 0.0000000 -0.2803499 0.0000000 -6.0707445 0.0000000 -0.0719227 0.0000000 -1.5041909 6 O -1.3192183 0.0000000 0.2803499 0.0000000 -6.0707445 0.0000000 0.0719227 0.0000000 -1.5041909 7 O -1.3192183 0.0000000 -0.2803499 0.0000000 -6.0707445 0.0000000 -0.0719227 0.0000000 -1.5041909 8 O -1.3192183 0.0000000 0.2803499 0.0000000 -6.0707445 0.0000000 0.0719227 0.0000000 -1.5041909 9 O -3.5540595 0.2485866 -2.0825903 0.2713888 -1.5059256 -0.2052852 -1.8325252 -0.1710247 -3.2456749 10 O -3.5540595 0.2485866 2.0825903 0.2713888 -1.5059256 0.2052852 1.8325252 0.1710247 -3.2456749 11 O -3.5540595 -0.2485866 -2.0825903 -0.2713888 -1.5059256 0.2052852 -1.8325252 0.1710247 -3.2456749 12 O -3.5540595 -0.2485866 2.0825903 -0.2713888 -1.5059256 -0.2052852 1.8325252 -0.1710247 -3.2456749 13 O -3.6388872 0.0984455 0.6815023 0.1287331 -1.7381052 -0.1337293 0.2971040 -0.2293296 -2.3616806 14 O -3.6388872 0.0984455 -0.6815023 0.1287331 -1.7381052 0.1337293 -0.2971040 0.2293296 -2.3616806 15 O -3.6388872 -0.0984455 0.6815023 -0.1287331 -1.7381052 0.1337293 0.2971040 0.2293296 -2.3616806 16 O -3.6388872 -0.0984455 -0.6815023 -0.1287331 -1.7381052 -0.1337293 -0.2971040 -0.2293296 -2.3616806 17 O -3.6388872 0.0984455 0.6815023 0.1287331 -1.7381052 -0.1337293 0.2971040 -0.2293296 -2.3616806 18 O -3.6388872 0.0984455 -0.6815023 0.1287331 -1.7381052 0.1337293 -0.2971040 0.2293296 -2.3616806 19 O -3.6388872 -0.0984455 0.6815023 -0.1287331 -1.7381052 0.1337293 0.2971040 0.2293296 -2.3616806 20 O -3.6388872 -0.0984455 -0.6815023 -0.1287331 -1.7381052 -0.1337293 -0.2971040 -0.2293296 -2.3616806 21 O -3.5540595 -0.2485866 2.0825903 -0.2713888 -1.5059256 -0.2052852 1.8325252 -0.1710247 -3.2456749 22 O -3.5540595 -0.2485866 -2.0825903 -0.2713888 -1.5059256 0.2052852 -1.8325252 0.1710247 -3.2456749 23 O -3.5540595 0.2485866 2.0825903 0.2713888 -1.5059256 0.2052852 1.8325252 0.1710247 -3.2456749 24 O -3.5540595 0.2485866 -2.0825903 0.2713888 -1.5059256 -0.2052852 -1.8325252 -0.1710247 -3.2456749 25 Ca 2.3408036 0.0000000 0.1799226 0.0000000 2.4155468 0.0000000 0.2313207 0.0000000 3.2080101 26 Ca 2.3408036 0.0000000 -0.1799226 0.0000000 2.4155468 0.0000000 -0.2313207 0.0000000 3.2080101 27 Ca 2.3408036 0.0000000 0.1799226 0.0000000 2.4155468 0.0000000 0.2313207 0.0000000 3.2080101 28 Ca 2.3408036 0.0000000 -0.1799226 0.0000000 2.4155468 0.0000000 -0.2313207 0.0000000 3.2080101 29 Ta 7.4592665 0.0199367 1.0687661 0.2383506 7.9476151 -1.4807238 -0.3142010 0.4243661 5.5153031 30 Ta 7.4592665 0.0199367 -1.0687661 0.2383506 7.9476151 1.4807238 0.3142010 -0.4243661 5.5153031 31 Ta 7.4592665 -0.0199367 1.0687661 -0.2383506 7.9476151 1.4807238 -0.3142010 -0.4243661 5.5153031 32 Ta 7.4592665 -0.0199367 -1.0687661 -0.2383506 7.9476151 -1.4807238 0.3142010 0.4243661 5.5153031 33 Ta 7.4592665 -0.0199367 -1.0687661 -0.2383506 7.9476151 -1.4807238 0.3142010 0.4243661 5.5153031 34 Ta 7.4592665 -0.0199367 1.0687661 -0.2383506 7.9476151 1.4807238 -0.3142010 -0.4243661 5.5153031 35 Ta 7.4592665 0.0199367 -1.0687661 0.2383506 7.9476151 1.4807238 0.3142010 -0.4243661 5.5153031 36 Ta 7.4592665 0.0199367 1.0687661 0.2383506 7.9476151 -1.4807238 -0.3142010 0.4243661 5.5153031 ---------------------------------------------------------------------------- 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[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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: 0.00000002 (xxy) 0.00000002 (xxy) 0.00000002 (xyx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000002 (zx) -0.00000002 (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 04:15:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:15:58]------------------------- 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): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.081375440000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.498853770000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.336220380000000 Atomic positions (fractional): 1 O 0.62133033194099 0.25000000000000 0.66625911663873 15.999 2 O 0.87866966805901 0.75000000000000 0.16625911663873 15.999 3 O 0.37866966805901 0.75000000000000 0.33374088336127 15.999 4 O 0.12133033194099 0.25000000000000 0.83374088336127 15.999 5 O 0.64496290253303 0.75000000000000 0.44627229783877 15.999 6 O 0.85503709746697 0.25000000000000 0.94627229783877 15.999 7 O 0.35503709746697 0.25000000000000 0.55372770216123 15.999 8 O 0.14496290253303 0.75000000000000 0.05372770216123 15.999 9 O 0.28811098419248 0.43738529713197 0.12760734660431 15.999 10 O 0.21188901580752 0.56261470286803 0.62760734660432 15.999 11 O 0.71188901580752 0.93738529713197 0.87239265339568 15.999 12 O 0.78811098419248 0.06261470286803 0.37239265339569 15.999 13 O 0.97627367523533 0.95844111844001 0.76942607291707 15.999 14 O 0.52372632476467 0.04155888155999 0.26942607291707 15.999 15 O 0.02372632476467 0.45844111844001 0.23057392708293 15.999 16 O 0.47627367523533 0.54155888155999 0.73057392708293 15.999 17 O 0.02372632476467 0.04155888155999 0.23057392708293 15.999 18 O 0.47627367523533 0.95844111844001 0.73057392708293 15.999 19 O 0.97627367523533 0.54155888155999 0.76942607291707 15.999 20 O 0.52372632476467 0.45844111844001 0.26942607291707 15.999 21 O 0.21188901580752 0.93738529713197 0.62760734660432 15.999 22 O 0.28811098419248 0.06261470286803 0.12760734660431 15.999 23 O 0.78811098419248 0.43738529713197 0.37239265339569 15.999 24 O 0.71188901580752 0.56261470286803 0.87239265339568 15.999 25 Ca 0.04248831151500 0.75000000000000 0.45699228946995 40.078 26 Ca 0.45751168848500 0.25000000000000 0.95699228946995 40.078 27 Ca 0.95751168848500 0.25000000000000 0.54300771053005 40.078 28 Ca 0.54248831151500 0.75000000000000 0.04300771053005 40.078 29 Ta 0.64062619558268 0.49464280527812 0.54018734521461 180.948 30 Ta 0.85937380441732 0.50535719472188 0.04018734521461 180.948 31 Ta 0.35937380441732 0.99464280527812 0.45981265478539 180.948 32 Ta 0.14062619558268 0.00535719472188 0.95981265478539 180.948 33 Ta 0.85937380441732 0.99464280527812 0.04018734521461 180.948 34 Ta 0.64062619558268 0.00535719472188 0.54018734521461 180.948 35 Ta 0.14062619558268 0.49464280527812 0.95981265478539 180.948 36 Ta 0.35937380441732 0.50535719472188 0.45981265478539 180.948 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.081375440000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.997707540000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.672440760000001 Atomic positions (fractional): 1 O 0.62133033194099 0.12500000000000 0.33312955831937 15.999 > 1 2 O 0.62133033194099 0.62500000000000 0.33312955831937 15.999 > 1 3 O 0.62133033194099 0.12500000000000 0.83312955831936 15.999 > 1 4 O 0.62133033194099 0.62500000000000 0.83312955831936 15.999 > 1 5 O 0.87866966805901 0.37500000000000 0.08312955831936 15.999 > 5 6 O 0.87866966805901 0.87500000000000 0.08312955831936 15.999 > 5 7 O 0.87866966805901 0.37500000000000 0.58312955831936 15.999 > 5 8 O 0.87866966805901 0.87500000000000 0.58312955831936 15.999 > 5 9 O 0.37866966805901 0.37500000000000 0.16687044168064 15.999 > 9 10 O 0.37866966805901 0.87500000000000 0.16687044168064 15.999 > 9 11 O 0.37866966805901 0.37500000000000 0.66687044168064 15.999 > 9 12 O 0.37866966805901 0.87500000000000 0.66687044168064 15.999 > 9 13 O 0.12133033194099 0.12500000000000 0.41687044168063 15.999 > 13 14 O 0.12133033194099 0.62500000000000 0.41687044168063 15.999 > 13 15 O 0.12133033194099 0.12500000000000 0.91687044168064 15.999 > 13 16 O 0.12133033194099 0.62500000000000 0.91687044168064 15.999 > 13 17 O 0.64496290253303 0.37500000000000 0.22313614891939 15.999 > 17 18 O 0.64496290253303 0.87500000000000 0.22313614891939 15.999 > 17 19 O 0.64496290253303 0.37500000000000 0.72313614891939 15.999 > 17 20 O 0.64496290253303 0.87500000000000 0.72313614891939 15.999 > 17 21 O 0.85503709746697 0.12500000000000 0.47313614891939 15.999 > 21 22 O 0.85503709746697 0.62500000000000 0.47313614891939 15.999 > 21 23 O 0.85503709746697 0.12500000000000 0.97313614891939 15.999 > 21 24 O 0.85503709746697 0.62500000000000 0.97313614891939 15.999 > 21 25 O 0.35503709746697 0.12500000000000 0.27686385108061 15.999 > 25 26 O 0.35503709746697 0.62500000000000 0.27686385108061 15.999 > 25 27 O 0.35503709746697 0.12500000000000 0.77686385108061 15.999 > 25 28 O 0.35503709746697 0.62500000000000 0.77686385108061 15.999 > 25 29 O 0.14496290253303 0.37500000000000 0.02686385108061 15.999 > 29 30 O 0.14496290253303 0.87500000000000 0.02686385108061 15.999 > 29 31 O 0.14496290253303 0.37500000000000 0.52686385108061 15.999 > 29 32 O 0.14496290253303 0.87500000000000 0.52686385108061 15.999 > 29 33 O 0.28811098419248 0.21869264856599 0.06380367330216 15.999 > 33 34 O 0.28811098419248 0.71869264856599 0.06380367330216 15.999 > 33 35 O 0.28811098419248 0.21869264856599 0.56380367330216 15.999 > 33 36 O 0.28811098419248 0.71869264856599 0.56380367330216 15.999 > 33 37 O 0.21188901580752 0.28130735143401 0.31380367330216 15.999 > 37 38 O 0.21188901580752 0.78130735143401 0.31380367330216 15.999 > 37 39 O 0.21188901580752 0.28130735143401 0.81380367330216 15.999 > 37 40 O 0.21188901580752 0.78130735143401 0.81380367330216 15.999 > 37 41 O 0.71188901580752 0.46869264856599 0.43619632669784 15.999 > 41 42 O 0.71188901580752 0.96869264856599 0.43619632669784 15.999 > 41 43 O 0.71188901580752 0.46869264856599 0.93619632669784 15.999 > 41 44 O 0.71188901580752 0.96869264856599 0.93619632669784 15.999 > 41 45 O 0.78811098419248 0.03130735143401 0.18619632669784 15.999 > 45 46 O 0.78811098419248 0.53130735143401 0.18619632669784 15.999 > 45 47 O 0.78811098419248 0.03130735143401 0.68619632669784 15.999 > 45 48 O 0.78811098419248 0.53130735143401 0.68619632669784 15.999 > 45 49 O 0.97627367523533 0.47922055922001 0.38471303645853 15.999 > 49 50 O 0.97627367523533 0.97922055922001 0.38471303645853 15.999 > 49 51 O 0.97627367523533 0.47922055922001 0.88471303645853 15.999 > 49 52 O 0.97627367523533 0.97922055922001 0.88471303645853 15.999 > 49 53 O 0.52372632476467 0.02077944077999 0.13471303645853 15.999 > 53 54 O 0.52372632476467 0.52077944077999 0.13471303645853 15.999 > 53 55 O 0.52372632476467 0.02077944077999 0.63471303645853 15.999 > 53 56 O 0.52372632476467 0.52077944077999 0.63471303645853 15.999 > 53 57 O 0.02372632476467 0.22922055922001 0.11528696354147 15.999 > 57 58 O 0.02372632476467 0.72922055922001 0.11528696354147 15.999 > 57 59 O 0.02372632476467 0.22922055922001 0.61528696354147 15.999 > 57 60 O 0.02372632476467 0.72922055922001 0.61528696354147 15.999 > 57 61 O 0.47627367523533 0.27077944077999 0.36528696354147 15.999 > 61 62 O 0.47627367523533 0.77077944077999 0.36528696354147 15.999 > 61 63 O 0.47627367523533 0.27077944077999 0.86528696354147 15.999 > 61 64 O 0.47627367523533 0.77077944077999 0.86528696354147 15.999 > 61 65 O 0.02372632476467 0.02077944077999 0.11528696354147 15.999 > 65 66 O 0.02372632476467 0.52077944077999 0.11528696354147 15.999 > 65 67 O 0.02372632476467 0.02077944077999 0.61528696354147 15.999 > 65 68 O 0.02372632476467 0.52077944077999 0.61528696354147 15.999 > 65 69 O 0.47627367523533 0.47922055922001 0.36528696354147 15.999 > 69 70 O 0.47627367523533 0.97922055922001 0.36528696354147 15.999 > 69 71 O 0.47627367523533 0.47922055922001 0.86528696354147 15.999 > 69 72 O 0.47627367523533 0.97922055922001 0.86528696354147 15.999 > 69 73 O 0.97627367523533 0.27077944077999 0.38471303645853 15.999 > 73 74 O 0.97627367523533 0.77077944077999 0.38471303645853 15.999 > 73 75 O 0.97627367523533 0.27077944077999 0.88471303645853 15.999 > 73 76 O 0.97627367523533 0.77077944077999 0.88471303645853 15.999 > 73 77 O 0.52372632476467 0.22922055922001 0.13471303645853 15.999 > 77 78 O 0.52372632476467 0.72922055922001 0.13471303645853 15.999 > 77 79 O 0.52372632476467 0.22922055922001 0.63471303645853 15.999 > 77 80 O 0.52372632476467 0.72922055922001 0.63471303645853 15.999 > 77 81 O 0.21188901580752 0.46869264856599 0.31380367330216 15.999 > 81 82 O 0.21188901580752 0.96869264856599 0.31380367330216 15.999 > 81 83 O 0.21188901580752 0.46869264856599 0.81380367330216 15.999 > 81 84 O 0.21188901580752 0.96869264856599 0.81380367330216 15.999 > 81 85 O 0.28811098419248 0.03130735143401 0.06380367330216 15.999 > 85 86 O 0.28811098419248 0.53130735143401 0.06380367330216 15.999 > 85 87 O 0.28811098419248 0.03130735143401 0.56380367330216 15.999 > 85 88 O 0.28811098419248 0.53130735143401 0.56380367330216 15.999 > 85 89 O 0.78811098419248 0.21869264856599 0.18619632669784 15.999 > 89 90 O 0.78811098419248 0.71869264856599 0.18619632669784 15.999 > 89 91 O 0.78811098419248 0.21869264856599 0.68619632669784 15.999 > 89 92 O 0.78811098419248 0.71869264856599 0.68619632669784 15.999 > 89 93 O 0.71188901580752 0.28130735143401 0.43619632669784 15.999 > 93 94 O 0.71188901580752 0.78130735143401 0.43619632669784 15.999 > 93 95 O 0.71188901580752 0.28130735143401 0.93619632669784 15.999 > 93 96 O 0.71188901580752 0.78130735143401 0.93619632669784 15.999 > 93 97 Ca 0.04248831151500 0.37500000000000 0.22849614473498 40.078 > 97 98 Ca 0.04248831151500 0.87500000000000 0.22849614473498 40.078 > 97 99 Ca 0.04248831151500 0.37500000000000 0.72849614473498 40.078 > 97 100 Ca 0.04248831151500 0.87500000000000 0.72849614473498 40.078 > 97 101 Ca 0.45751168848500 0.12500000000000 0.47849614473498 40.078 > 101 102 Ca 0.45751168848500 0.62500000000000 0.47849614473498 40.078 > 101 103 Ca 0.45751168848500 0.12500000000000 0.97849614473498 40.078 > 101 104 Ca 0.45751168848500 0.62500000000000 0.97849614473498 40.078 > 101 105 Ca 0.95751168848500 0.12500000000000 0.27150385526502 40.078 > 105 106 Ca 0.95751168848500 0.62500000000000 0.27150385526502 40.078 > 105 107 Ca 0.95751168848500 0.12500000000000 0.77150385526502 40.078 > 105 108 Ca 0.95751168848500 0.62500000000000 0.77150385526502 40.078 > 105 109 Ca 0.54248831151500 0.37500000000000 0.02150385526502 40.078 > 109 110 Ca 0.54248831151500 0.87500000000000 0.02150385526502 40.078 > 109 111 Ca 0.54248831151500 0.37500000000000 0.52150385526502 40.078 > 109 112 Ca 0.54248831151500 0.87500000000000 0.52150385526502 40.078 > 109 113 Ta 0.64062619558268 0.24732140263906 0.27009367260730 180.948 > 113 114 Ta 0.64062619558268 0.74732140263906 0.27009367260730 180.948 > 113 115 Ta 0.64062619558268 0.24732140263906 0.77009367260730 180.948 > 113 116 Ta 0.64062619558268 0.74732140263906 0.77009367260730 180.948 > 113 117 Ta 0.85937380441732 0.25267859736094 0.02009367260731 180.948 > 117 118 Ta 0.85937380441732 0.75267859736094 0.02009367260731 180.948 > 117 119 Ta 0.85937380441732 0.25267859736094 0.52009367260730 180.948 > 117 120 Ta 0.85937380441732 0.75267859736094 0.52009367260730 180.948 > 117 121 Ta 0.35937380441732 0.49732140263906 0.22990632739269 180.948 > 121 122 Ta 0.35937380441732 0.99732140263906 0.22990632739269 180.948 > 121 123 Ta 0.35937380441732 0.49732140263906 0.72990632739269 180.948 > 121 124 Ta 0.35937380441732 0.99732140263906 0.72990632739269 180.948 > 121 125 Ta 0.14062619558268 0.00267859736094 0.47990632739270 180.948 > 125 126 Ta 0.14062619558268 0.50267859736094 0.47990632739270 180.948 > 125 127 Ta 0.14062619558268 0.00267859736094 0.97990632739270 180.948 > 125 128 Ta 0.14062619558268 0.50267859736094 0.97990632739270 180.948 > 125 129 Ta 0.85937380441732 0.49732140263906 0.02009367260731 180.948 > 129 130 Ta 0.85937380441732 0.99732140263906 0.02009367260731 180.948 > 129 131 Ta 0.85937380441732 0.49732140263906 0.52009367260730 180.948 > 129 132 Ta 0.85937380441732 0.99732140263906 0.52009367260730 180.948 > 129 133 Ta 0.64062619558268 0.00267859736094 0.27009367260730 180.948 > 133 134 Ta 0.64062619558268 0.50267859736094 0.27009367260730 180.948 > 133 135 Ta 0.64062619558268 0.00267859736094 0.77009367260730 180.948 > 133 136 Ta 0.64062619558268 0.50267859736094 0.77009367260730 180.948 > 133 137 Ta 0.14062619558268 0.24732140263906 0.47990632739270 180.948 > 137 138 Ta 0.14062619558268 0.74732140263906 0.47990632739270 180.948 > 137 139 Ta 0.14062619558268 0.24732140263906 0.97990632739270 180.948 > 137 140 Ta 0.14062619558268 0.74732140263906 0.97990632739270 180.948 > 137 141 Ta 0.35937380441732 0.25267859736094 0.22990632739269 180.948 > 141 142 Ta 0.35937380441732 0.75267859736094 0.22990632739269 180.948 > 141 143 Ta 0.35937380441732 0.25267859736094 0.72990632739269 180.948 > 141 144 Ta 0.35937380441732 0.75267859736094 0.72990632739269 180.948 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.1880530 0.0000000 0.0000000 0.0000000 5.4552707 0.0000000 0.0000000 0.0000000 4.5190082 -------------------------- Born effective charges -------------------------- 1 O -1.5542250 0.0000000 0.1853522 0.0000000 -5.7519710 0.0000000 0.2878066 0.0000000 -1.5197144 2 O -1.5542250 0.0000000 -0.1853522 0.0000000 -5.7519710 0.0000000 -0.2878066 0.0000000 -1.5197144 3 O -1.5542250 0.0000000 0.1853522 0.0000000 -5.7519710 0.0000000 0.2878066 0.0000000 -1.5197144 4 O -1.5542250 0.0000000 -0.1853522 0.0000000 -5.7519710 0.0000000 -0.2878066 0.0000000 -1.5197144 5 O -1.3192183 0.0000000 -0.2803499 0.0000000 -6.0707445 0.0000000 -0.0719227 0.0000000 -1.5041909 6 O -1.3192183 0.0000000 0.2803499 0.0000000 -6.0707445 0.0000000 0.0719227 0.0000000 -1.5041909 7 O -1.3192183 0.0000000 -0.2803499 0.0000000 -6.0707445 0.0000000 -0.0719227 0.0000000 -1.5041909 8 O -1.3192183 0.0000000 0.2803499 0.0000000 -6.0707445 0.0000000 0.0719227 0.0000000 -1.5041909 9 O -3.5540595 0.2485866 -2.0825903 0.2713888 -1.5059256 -0.2052852 -1.8325252 -0.1710247 -3.2456749 10 O -3.5540595 0.2485866 2.0825903 0.2713888 -1.5059256 0.2052852 1.8325252 0.1710247 -3.2456749 11 O -3.5540595 -0.2485866 -2.0825903 -0.2713888 -1.5059256 0.2052852 -1.8325252 0.1710247 -3.2456749 12 O -3.5540595 -0.2485866 2.0825903 -0.2713888 -1.5059256 -0.2052852 1.8325252 -0.1710247 -3.2456749 13 O -3.6388872 0.0984455 0.6815023 0.1287331 -1.7381052 -0.1337293 0.2971040 -0.2293296 -2.3616806 14 O -3.6388872 0.0984455 -0.6815023 0.1287331 -1.7381052 0.1337293 -0.2971040 0.2293296 -2.3616806 15 O -3.6388872 -0.0984455 0.6815023 -0.1287331 -1.7381052 0.1337293 0.2971040 0.2293296 -2.3616806 16 O -3.6388872 -0.0984455 -0.6815023 -0.1287331 -1.7381052 -0.1337293 -0.2971040 -0.2293296 -2.3616806 17 O -3.6388872 0.0984455 0.6815023 0.1287331 -1.7381052 -0.1337293 0.2971040 -0.2293296 -2.3616806 18 O -3.6388872 0.0984455 -0.6815023 0.1287331 -1.7381052 0.1337293 -0.2971040 0.2293296 -2.3616806 19 O -3.6388872 -0.0984455 0.6815023 -0.1287331 -1.7381052 0.1337293 0.2971040 0.2293296 -2.3616806 20 O -3.6388872 -0.0984455 -0.6815023 -0.1287331 -1.7381052 -0.1337293 -0.2971040 -0.2293296 -2.3616806 21 O -3.5540595 -0.2485866 2.0825903 -0.2713888 -1.5059256 -0.2052852 1.8325252 -0.1710247 -3.2456749 22 O -3.5540595 -0.2485866 -2.0825903 -0.2713888 -1.5059256 0.2052852 -1.8325252 0.1710247 -3.2456749 23 O -3.5540595 0.2485866 2.0825903 0.2713888 -1.5059256 0.2052852 1.8325252 0.1710247 -3.2456749 24 O -3.5540595 0.2485866 -2.0825903 0.2713888 -1.5059256 -0.2052852 -1.8325252 -0.1710247 -3.2456749 25 Ca 2.3408036 0.0000000 0.1799226 0.0000000 2.4155468 0.0000000 0.2313207 0.0000000 3.2080101 26 Ca 2.3408036 0.0000000 -0.1799226 0.0000000 2.4155468 0.0000000 -0.2313207 0.0000000 3.2080101 27 Ca 2.3408036 0.0000000 0.1799226 0.0000000 2.4155468 0.0000000 0.2313207 0.0000000 3.2080101 28 Ca 2.3408036 0.0000000 -0.1799226 0.0000000 2.4155468 0.0000000 -0.2313207 0.0000000 3.2080101 29 Ta 7.4592665 0.0199367 1.0687661 0.2383506 7.9476151 -1.4807238 -0.3142010 0.4243661 5.5153031 30 Ta 7.4592665 0.0199367 -1.0687661 0.2383506 7.9476151 1.4807238 0.3142010 -0.4243661 5.5153031 31 Ta 7.4592665 -0.0199367 1.0687661 -0.2383506 7.9476151 1.4807238 -0.3142010 -0.4243661 5.5153031 32 Ta 7.4592665 -0.0199367 -1.0687661 -0.2383506 7.9476151 -1.4807238 0.3142010 0.4243661 5.5153031 33 Ta 7.4592665 -0.0199367 -1.0687661 -0.2383506 7.9476151 -1.4807238 0.3142010 0.4243661 5.5153031 34 Ta 7.4592665 -0.0199367 1.0687661 -0.2383506 7.9476151 1.4807238 -0.3142010 -0.4243661 5.5153031 35 Ta 7.4592665 0.0199367 -1.0687661 0.2383506 7.9476151 1.4807238 0.3142010 -0.4243661 5.5153031 36 Ta 7.4592665 0.0199367 1.0687661 0.2383506 7.9476151 -1.4807238 -0.3142010 0.4243661 5.5153031 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (xxy) 0.00000002 (xxy) 0.00000002 (xyx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 7 9 ] 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: 293, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 60 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 1.547 ( 0.000 0.000 0.000) 0.000 1.784 ( 0.000 0.000 0.000) 0.000 1.874 ( 0.000 0.000 0.000) 0.000 1.895 ( 0.000 0.000 0.000) 0.000 2.444 ( 0.000 0.000 0.000) 0.000 2.650 ( 0.000 0.000 0.000) 0.000 2.988 ( 0.000 0.000 0.000) 0.000 3.153 ( 0.000 0.000 0.000) 0.000 3.868 ( 0.000 0.000 0.000) 0.000 3.998 ( 0.000 0.000 0.000) 0.000 4.188 ( 0.000 0.000 0.000) 0.000 4.249 ( 0.000 0.000 0.000) 0.000 4.271 ( 0.000 0.000 0.000) 0.000 4.644 ( 0.000 0.000 0.000) 0.000 4.672 ( 0.000 0.000 0.000) 0.000 4.745 ( 0.000 0.000 0.000) 0.000 4.924 ( 0.000 0.000 0.000) 0.000 4.991 ( 0.000 0.000 0.000) 0.000 5.006 ( 0.000 0.000 0.000) 0.000 5.078 ( 0.000 0.000 0.000) 0.000 5.236 ( 0.000 0.000 0.000) 0.000 5.276 ( 0.000 0.000 0.000) 0.000 5.382 ( 0.000 0.000 0.000) 0.000 5.494 ( 0.000 0.000 0.000) 0.000 5.762 ( 0.000 0.000 0.000) 0.000 6.095 ( 0.000 0.000 0.000) 0.000 6.111 ( 0.000 0.000 0.000) 0.000 6.222 ( 0.000 0.000 0.000) 0.000 6.322 ( 0.000 0.000 0.000) 0.000 6.436 ( 0.000 0.000 0.000) 0.000 6.574 ( 0.000 0.000 0.000) 0.000 6.634 ( 0.000 0.000 0.000) 0.000 6.684 ( 0.000 0.000 0.000) 0.000 6.965 ( 0.000 0.000 0.000) 0.000 7.003 ( 0.000 0.000 0.000) 0.000 7.062 ( 0.000 0.000 0.000) 0.000 7.244 ( 0.000 0.000 0.000) 0.000 7.343 ( 0.000 0.000 0.000) 0.000 7.423 ( 0.000 0.000 0.000) 0.000 7.511 ( 0.000 0.000 0.000) 0.000 7.768 ( 0.000 0.000 0.000) 0.000 7.950 ( 0.000 0.000 0.000) 0.000 8.084 ( 0.000 0.000 0.000) 0.000 8.311 ( 0.000 0.000 0.000) 0.000 8.339 ( 0.000 0.000 0.000) 0.000 8.458 ( 0.000 0.000 0.000) 0.000 9.138 ( 0.000 0.000 0.000) 0.000 9.232 ( 0.000 0.000 0.000) 0.000 9.260 ( 0.000 0.000 0.000) 0.000 9.437 ( 0.000 0.000 0.000) 0.000 9.575 ( 0.000 0.000 0.000) 0.000 9.608 ( 0.000 0.000 0.000) 0.000 9.940 ( 0.000 0.000 0.000) 0.000 10.101 ( 0.000 0.000 0.000) 0.000 10.231 ( 0.000 0.000 0.000) 0.000 10.413 ( 0.000 0.000 0.000) 0.000 10.432 ( 0.000 0.000 0.000) 0.000 10.537 ( 0.000 0.000 0.000) 0.000 10.962 ( 0.000 0.000 0.000) 0.000 11.186 ( 0.000 0.000 0.000) 0.000 11.217 ( 0.000 0.000 0.000) 0.000 11.294 ( 0.000 0.000 0.000) 0.000 11.684 ( 0.000 0.000 0.000) 0.000 11.717 ( 0.000 0.000 0.000) 0.000 11.996 ( 0.000 0.000 0.000) 0.000 12.136 ( 0.000 0.000 0.000) 0.000 12.143 ( 0.000 0.000 0.000) 0.000 12.403 ( 0.000 0.000 0.000) 0.000 12.698 ( 0.000 0.000 0.000) 0.000 12.904 ( 0.000 0.000 0.000) 0.000 13.162 ( 0.000 0.000 0.000) 0.000 13.415 ( 0.000 0.000 0.000) 0.000 13.529 ( 0.000 0.000 0.000) 0.000 13.741 ( 0.000 0.000 0.000) 0.000 13.742 ( 0.000 0.000 0.000) 0.000 13.830 ( 0.000 0.000 0.000) 0.000 13.885 ( 0.000 0.000 0.000) 0.000 14.233 ( 0.000 0.000 0.000) 0.000 14.428 ( 0.000 0.000 0.000) 0.000 14.512 ( 0.000 0.000 0.000) 0.000 14.695 ( 0.000 0.000 0.000) 0.000 14.949 ( 0.000 0.000 0.000) 0.000 15.817 ( 0.000 0.000 0.000) 0.000 15.923 ( 0.000 0.000 0.000) 0.000 16.098 ( 0.000 0.000 0.000) 0.000 16.335 ( 0.000 0.000 0.000) 0.000 16.726 ( 0.000 0.000 0.000) 0.000 16.879 ( 0.000 0.000 0.000) 0.000 18.827 ( 0.000 0.000 0.000) 0.000 18.836 ( 0.000 0.000 0.000) 0.000 19.183 ( 0.000 0.000 0.000) 0.000 19.199 ( 0.000 0.000 0.000) 0.000 19.253 ( 0.000 0.000 0.000) 0.000 19.298 ( 0.000 0.000 0.000) 0.000 19.363 ( 0.000 0.000 0.000) 0.000 19.578 ( 0.000 0.000 0.000) 0.000 20.014 ( 0.000 0.000 0.000) 0.000 20.032 ( 0.000 0.000 0.000) 0.000 21.574 ( 0.000 0.000 0.000) 0.000 24.792 ( 0.000 0.000 0.000) 0.000 25.382 ( 0.000 0.000 0.000) 0.000 25.908 ( 0.000 0.000 0.000) 0.000 25.914 ( 0.000 0.000 0.000) 0.000 26.421 ( 0.000 0.000 0.000) 0.000 26.813 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.507 ( 26.917 0.000 0.000) 26.917 0.596 ( 32.636 0.000 0.000) 32.636 1.071 ( 55.815 0.000 0.000) 55.815 1.484 ( -7.127 0.000 0.000) 7.127 1.791 ( 0.795 0.000 0.000) 0.795 1.863 ( -1.100 0.000 0.000) 1.100 2.111 ( 20.853 0.000 0.000) 20.853 2.271 ( -15.607 0.000 0.000) 15.607 2.758 ( 12.284 0.000 0.000) 12.284 2.934 ( -6.001 0.000 0.000) 6.001 3.674 ( 15.449 0.000 0.000) 15.449 3.889 ( -32.669 0.000 0.000) 32.669 3.910 ( 4.442 0.000 0.000) 4.442 4.026 ( 0.828 0.000 0.000) 0.828 4.074 ( -14.178 0.000 0.000) 14.178 4.225 ( -2.619 0.000 0.000) 2.619 4.398 ( -17.120 0.000 0.000) 17.120 4.558 ( -9.469 0.000 0.000) 9.469 4.883 ( 5.899 0.000 0.000) 5.899 4.960 ( -1.999 0.000 0.000) 1.999 5.080 ( 9.128 0.000 0.000) 9.128 5.149 ( 7.542 0.000 0.000) 7.542 5.215 ( 5.561 0.000 0.000) 5.561 5.259 ( 1.799 0.000 0.000) 1.799 5.335 ( 6.719 0.000 0.000) 6.719 5.390 ( 0.285 0.000 0.000) 0.285 5.470 ( -2.630 0.000 0.000) 2.630 5.722 ( -4.538 0.000 0.000) 4.538 6.112 ( 1.428 0.000 0.000) 1.428 6.116 ( 0.587 0.000 0.000) 0.587 6.284 ( 6.314 0.000 0.000) 6.314 6.428 ( 7.884 0.000 0.000) 7.884 6.603 ( 3.189 0.000 0.000) 3.189 6.638 ( 0.183 0.000 0.000) 0.183 6.699 ( 1.609 0.000 0.000) 1.609 6.835 ( -11.667 0.000 0.000) 11.667 7.035 ( -2.249 0.000 0.000) 2.249 7.048 ( 5.285 0.000 0.000) 5.285 7.288 ( 3.219 0.000 0.000) 3.219 7.348 ( 0.459 0.000 0.000) 0.459 7.416 ( 5.000 0.000 0.000) 5.000 7.421 ( -9.526 0.000 0.000) 9.526 7.659 ( -10.608 0.000 0.000) 10.608 7.890 ( -9.578 0.000 0.000) 9.578 8.036 ( 1.597 0.000 0.000) 1.597 8.268 ( -4.129 0.000 0.000) 4.129 8.470 ( 10.693 0.000 0.000) 10.693 8.598 ( 13.335 0.000 0.000) 13.335 8.857 ( 5.255 0.000 0.000) 5.255 9.135 ( -1.100 0.000 0.000) 1.100 9.192 ( -6.376 0.000 0.000) 6.376 9.264 ( 3.117 0.000 0.000) 3.117 9.421 ( -1.686 0.000 0.000) 1.686 9.491 ( -8.215 0.000 0.000) 8.215 10.002 ( 6.062 0.000 0.000) 6.062 10.082 ( -0.043 0.000 0.000) 0.043 10.266 ( 2.725 0.000 0.000) 2.725 10.338 ( -0.892 0.000 0.000) 0.892 10.447 ( 6.072 0.000 0.000) 6.072 10.482 ( -4.564 0.000 0.000) 4.564 10.804 ( -1.474 0.000 0.000) 1.474 11.006 ( 3.579 0.000 0.000) 3.579 11.153 ( -5.259 0.000 0.000) 5.259 11.201 ( -9.101 0.000 0.000) 9.101 11.224 ( 5.459 0.000 0.000) 5.459 11.757 ( 6.902 0.000 0.000) 6.902 11.785 ( 2.535 0.000 0.000) 2.535 11.993 ( 2.851 0.000 0.000) 2.851 12.107 ( -3.222 0.000 0.000) 3.222 12.449 ( 4.303 0.000 0.000) 4.303 12.573 ( -0.027 0.000 0.000) 0.027 12.754 ( -14.017 0.000 0.000) 14.017 13.164 ( 0.432 0.000 0.000) 0.432 13.322 ( -2.999 0.000 0.000) 2.999 13.512 ( 8.364 0.000 0.000) 8.364 13.557 ( 2.788 0.000 0.000) 2.788 13.727 ( -1.673 0.000 0.000) 1.673 13.782 ( 4.157 0.000 0.000) 4.157 13.861 ( -2.674 0.000 0.000) 2.674 13.927 ( 0.107 0.000 0.000) 0.107 14.410 ( -1.489 0.000 0.000) 1.489 14.489 ( -2.432 0.000 0.000) 2.432 14.717 ( 2.162 0.000 0.000) 2.162 14.864 ( -2.242 0.000 0.000) 2.242 15.025 ( 8.488 0.000 0.000) 8.488 15.951 ( 3.095 0.000 0.000) 3.095 15.968 ( -14.002 0.000 0.000) 14.002 16.283 ( -6.022 0.000 0.000) 6.022 16.720 ( 0.631 0.000 0.000) 0.631 16.864 ( -1.698 0.000 0.000) 1.698 18.826 ( -0.163 0.000 0.000) 0.163 18.832 ( -0.441 0.000 0.000) 0.441 19.186 ( -0.612 0.000 0.000) 0.612 19.230 ( 5.003 0.000 0.000) 5.003 19.235 ( -1.554 0.000 0.000) 1.554 19.348 ( 4.114 0.000 0.000) 4.114 19.390 ( 2.302 0.000 0.000) 2.302 19.558 ( -2.499 0.000 0.000) 2.499 20.005 ( -0.903 0.000 0.000) 0.903 20.009 ( -1.986 0.000 0.000) 1.986 21.331 ( 3.370 0.000 0.000) 3.370 21.551 ( -2.404 0.000 0.000) 2.404 25.419 ( 4.071 0.000 0.000) 4.071 25.834 ( -7.290 0.000 0.000) 7.290 25.922 ( 0.838 0.000 0.000) 0.838 25.982 ( -0.691 0.000 0.000) 0.691 26.482 ( 5.932 0.000 0.000) 5.932 26.788 ( -2.715 0.000 0.000) 2.715 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( 21.944 0.000 0.000) 21.944 1.167 ( 30.168 0.000 0.000) 30.168 1.286 ( -14.813 0.000 0.000) 14.813 1.618 ( -12.301 0.000 0.000) 12.301 1.811 ( 1.384 0.000 0.000) 1.384 1.838 ( -1.532 0.000 0.000) 1.532 2.326 ( 39.443 0.000 0.000) 39.443 2.499 ( 19.080 0.000 0.000) 19.080 2.773 ( -11.767 0.000 0.000) 11.767 3.113 ( 26.907 0.000 0.000) 26.907 3.161 ( -45.593 0.000 0.000) 45.593 3.652 ( -29.814 0.000 0.000) 29.814 3.993 ( 18.108 0.000 0.000) 18.108 4.018 ( 7.262 0.000 0.000) 7.262 4.077 ( 3.605 0.000 0.000) 3.605 4.164 ( -3.459 0.000 0.000) 3.459 4.167 ( -9.475 0.000 0.000) 9.475 4.326 ( -15.773 0.000 0.000) 15.773 4.932 ( 0.757 0.000 0.000) 0.757 4.939 ( -0.448 0.000 0.000) 0.448 5.207 ( 5.433 0.000 0.000) 5.433 5.270 ( -1.275 0.000 0.000) 1.275 5.295 ( 7.308 0.000 0.000) 7.308 5.310 ( 4.604 0.000 0.000) 4.604 5.374 ( -2.277 0.000 0.000) 2.277 5.403 ( -4.740 0.000 0.000) 4.740 5.482 ( 8.322 0.000 0.000) 8.322 5.618 ( -6.712 0.000 0.000) 6.712 6.129 ( 0.641 0.000 0.000) 0.641 6.131 ( 0.503 0.000 0.000) 0.503 6.427 ( 9.135 0.000 0.000) 9.135 6.572 ( 5.793 0.000 0.000) 5.793 6.614 ( -11.732 0.000 0.000) 11.732 6.630 ( -1.408 0.000 0.000) 1.408 6.689 ( 5.606 0.000 0.000) 5.606 6.730 ( 0.989 0.000 0.000) 0.989 7.027 ( 3.432 0.000 0.000) 3.432 7.199 ( -13.466 0.000 0.000) 13.466 7.199 ( 11.280 0.000 0.000) 11.280 7.334 ( 1.748 0.000 0.000) 1.748 7.352 ( -0.194 0.000 0.000) 0.194 7.432 ( -13.563 0.000 0.000) 13.563 7.534 ( 7.867 0.000 0.000) 7.867 7.698 ( -10.211 0.000 0.000) 10.211 8.101 ( 4.406 0.000 0.000) 4.406 8.184 ( -4.778 0.000 0.000) 4.778 8.677 ( 11.872 0.000 0.000) 11.872 8.860 ( 14.013 0.000 0.000) 14.013 8.869 ( -7.240 0.000 0.000) 7.240 9.062 ( -7.684 0.000 0.000) 7.684 9.151 ( 5.420 0.000 0.000) 5.420 9.315 ( -10.533 0.000 0.000) 10.533 9.327 ( 3.403 0.000 0.000) 3.403 9.381 ( -2.619 0.000 0.000) 2.619 10.127 ( 4.733 0.000 0.000) 4.733 10.129 ( 7.233 0.000 0.000) 7.233 10.244 ( -5.398 0.000 0.000) 5.398 10.265 ( -5.883 0.000 0.000) 5.883 10.470 ( 3.803 0.000 0.000) 3.803 10.529 ( -0.163 0.000 0.000) 0.163 10.831 ( 6.458 0.000 0.000) 6.458 11.008 ( -11.347 0.000 0.000) 11.347 11.045 ( 1.065 0.000 0.000) 1.065 11.075 ( -2.870 0.000 0.000) 2.870 11.417 ( 14.712 0.000 0.000) 14.712 11.678 ( -12.229 0.000 0.000) 12.229 11.896 ( 7.804 0.000 0.000) 7.804 12.023 ( -5.998 0.000 0.000) 5.998 12.177 ( 14.820 0.000 0.000) 14.820 12.468 ( -16.658 0.000 0.000) 16.658 12.525 ( 3.457 0.000 0.000) 3.457 12.565 ( -1.075 0.000 0.000) 1.075 13.189 ( 2.579 0.000 0.000) 2.579 13.253 ( -4.138 0.000 0.000) 4.138 13.618 ( 3.746 0.000 0.000) 3.746 13.663 ( 7.909 0.000 0.000) 7.909 13.683 ( -3.147 0.000 0.000) 3.147 13.787 ( -5.570 0.000 0.000) 5.570 13.867 ( 4.409 0.000 0.000) 4.409 13.920 ( -1.351 0.000 0.000) 1.351 14.397 ( 0.489 0.000 0.000) 0.489 14.433 ( -3.200 0.000 0.000) 3.200 14.763 ( 2.793 0.000 0.000) 2.793 14.815 ( -2.922 0.000 0.000) 2.922 15.259 ( 17.396 0.000 0.000) 17.396 15.627 ( -21.812 0.000 0.000) 21.812 16.031 ( 5.674 0.000 0.000) 5.674 16.151 ( -7.464 0.000 0.000) 7.464 16.760 ( 3.261 0.000 0.000) 3.261 16.820 ( -3.041 0.000 0.000) 3.041 18.823 ( -0.080 0.000 0.000) 0.080 18.825 ( -0.272 0.000 0.000) 0.272 19.188 ( 0.725 0.000 0.000) 0.725 19.207 ( -1.385 0.000 0.000) 1.385 19.349 ( 7.571 0.000 0.000) 7.571 19.411 ( 2.284 0.000 0.000) 2.284 19.423 ( 0.847 0.000 0.000) 0.847 19.479 ( -6.201 0.000 0.000) 6.201 19.982 ( -0.642 0.000 0.000) 0.642 19.987 ( -0.929 0.000 0.000) 0.929 21.407 ( 4.754 0.000 0.000) 4.754 21.490 ( -4.196 0.000 0.000) 4.196 25.525 ( 7.515 0.000 0.000) 7.515 25.679 ( -9.108 0.000 0.000) 9.108 25.941 ( 1.281 0.000 0.000) 1.281 25.965 ( -1.190 0.000 0.000) 1.190 26.603 ( 6.885 0.000 0.000) 6.885 26.716 ( -5.292 0.000 0.000) 5.292 ======================= Grid point 5 (4/60) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.538 ( 0.000 27.132 0.000) 27.132 0.561 ( 0.000 29.847 0.000) 29.847 1.302 ( 0.000 66.349 0.000) 66.349 1.862 ( 0.000 -3.334 0.000) 3.334 2.029 ( 0.000 41.023 0.000) 41.023 2.268 ( 0.000 34.841 0.000) 34.841 2.314 ( 0.000 46.611 0.000) 46.611 2.481 ( 0.000 3.602 0.000) 3.602 2.644 ( 0.000 -0.243 0.000) 0.243 2.903 ( 0.000 -8.080 0.000) 8.080 3.197 ( 0.000 4.624 0.000) 4.624 3.991 ( 0.000 -0.671 0.000) 0.671 4.123 ( 0.000 -2.307 0.000) 2.307 4.224 ( 0.000 -3.705 0.000) 3.705 4.393 ( 0.000 8.023 0.000) 8.023 4.541 ( 0.000 -5.480 0.000) 5.480 4.541 ( 0.000 -4.949 0.000) 4.949 4.760 ( 0.000 4.164 0.000) 4.164 4.777 ( 0.000 3.936 0.000) 3.936 4.937 ( 0.000 0.434 0.000) 0.434 5.006 ( 0.000 1.057 0.000) 1.057 5.036 ( 0.000 2.510 0.000) 2.510 5.039 ( 0.000 -1.279 0.000) 1.279 5.329 ( 0.000 7.432 0.000) 7.432 5.368 ( 0.000 -0.741 0.000) 0.741 5.424 ( 0.000 -6.625 0.000) 6.625 5.463 ( 0.000 15.309 0.000) 15.309 5.672 ( 0.000 -9.725 0.000) 9.725 6.103 ( 0.000 -0.504 0.000) 0.504 6.123 ( 0.000 2.783 0.000) 2.783 6.270 ( 0.000 -4.305 0.000) 4.305 6.507 ( 0.000 7.288 0.000) 7.288 6.582 ( 0.000 -5.033 0.000) 5.033 6.637 ( 0.000 5.176 0.000) 5.176 6.666 ( 0.000 -2.338 0.000) 2.338 6.944 ( 0.000 -2.707 0.000) 2.707 6.978 ( 0.000 -4.334 0.000) 4.334 7.012 ( 0.000 -4.635 0.000) 4.635 7.318 ( 0.000 6.975 0.000) 6.975 7.349 ( 0.000 3.471 0.000) 3.471 7.461 ( 0.000 -4.226 0.000) 4.226 7.534 ( 0.000 9.849 0.000) 9.849 7.767 ( 0.000 -1.402 0.000) 1.402 7.848 ( 0.000 -10.164 0.000) 10.164 8.097 ( 0.000 1.205 0.000) 1.205 8.199 ( 0.000 -7.097 0.000) 7.097 8.275 ( 0.000 -5.097 0.000) 5.097 8.314 ( 0.000 -10.230 0.000) 10.230 8.470 ( 0.000 3.538 0.000) 3.538 9.148 ( 0.000 -8.897 0.000) 8.897 9.158 ( 0.000 -10.490 0.000) 10.490 9.217 ( 0.000 -14.380 0.000) 14.380 9.821 ( 0.000 12.915 0.000) 12.915 9.838 ( 0.000 20.914 0.000) 20.914 10.017 ( 0.000 -7.915 0.000) 7.915 10.090 ( 0.000 11.445 0.000) 11.445 10.124 ( 0.000 -15.747 0.000) 15.747 10.246 ( 0.000 4.416 0.000) 4.416 10.345 ( 0.000 -8.570 0.000) 8.570 10.493 ( 0.000 -3.665 0.000) 3.665 10.992 ( 0.000 23.051 0.000) 23.051 11.192 ( 0.000 0.422 0.000) 0.422 11.236 ( 0.000 3.132 0.000) 3.132 11.396 ( 0.000 10.042 0.000) 10.042 11.632 ( 0.000 -5.018 0.000) 5.018 11.746 ( 0.000 2.312 0.000) 2.312 12.018 ( 0.000 1.817 0.000) 1.817 12.041 ( 0.000 -4.729 0.000) 4.729 12.081 ( 0.000 4.123 0.000) 4.123 12.107 ( 0.000 -2.428 0.000) 2.428 12.406 ( 0.000 0.516 0.000) 0.516 12.652 ( 0.000 -4.557 0.000) 4.557 13.133 ( 0.000 -2.602 0.000) 2.602 13.378 ( 0.000 -12.980 0.000) 12.980 13.391 ( 0.000 6.477 0.000) 6.477 13.491 ( 0.000 5.630 0.000) 5.630 13.691 ( 0.000 -5.068 0.000) 5.068 13.696 ( 0.000 -4.602 0.000) 4.602 13.813 ( 0.000 -0.539 0.000) 0.539 13.951 ( 0.000 3.839 0.000) 3.839 14.196 ( 0.000 -3.787 0.000) 3.787 14.337 ( 0.000 -7.489 0.000) 7.489 14.472 ( 0.000 -3.963 0.000) 3.963 14.665 ( 0.000 -3.073 0.000) 3.073 15.171 ( 0.000 4.367 0.000) 4.367 15.772 ( 0.000 -3.223 0.000) 3.223 16.196 ( 0.000 8.371 0.000) 8.371 16.260 ( 0.000 32.153 0.000) 32.153 16.450 ( 0.000 9.071 0.000) 9.071 16.913 ( 0.000 20.070 0.000) 20.070 18.836 ( 0.000 0.455 0.000) 0.455 18.880 ( 0.000 4.413 0.000) 4.413 19.146 ( 0.000 -0.218 0.000) 0.218 19.170 ( 0.000 -6.843 0.000) 6.843 19.216 ( 0.000 1.739 0.000) 1.739 19.384 ( 0.000 2.225 0.000) 2.225 19.385 ( 0.000 5.268 0.000) 5.268 19.549 ( 0.000 -3.127 0.000) 3.127 19.974 ( 0.000 -4.182 0.000) 4.182 19.982 ( 0.000 -5.027 0.000) 5.027 21.812 ( 0.000 25.371 0.000) 25.371 24.767 ( 0.000 7.278 0.000) 7.278 24.856 ( 0.000 6.843 0.000) 6.843 25.302 ( 0.000 -8.913 0.000) 8.913 25.863 ( 0.000 -4.616 0.000) 4.616 25.921 ( 0.000 1.352 0.000) 1.352 26.373 ( 0.000 -6.839 0.000) 6.839 26.788 ( 0.000 -2.911 0.000) 2.911 ======================= Grid point 6 (5/60) ======================= q-point: ( 0.20 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( 23.486 20.130 0.000) 30.932 1.048 ( 31.662 21.521 0.000) 38.284 1.500 ( 25.195 51.068 0.000) 56.945 1.935 ( -9.250 37.920 0.000) 39.032 2.078 ( 20.376 -2.674 0.000) 20.551 2.296 ( 2.023 38.913 0.000) 38.966 2.309 ( -8.488 22.458 0.000) 24.008 2.335 ( -4.024 28.799 0.000) 29.078 2.751 ( 12.016 -0.562 0.000) 12.029 2.861 ( -4.689 -7.059 0.000) 8.475 3.441 ( 21.356 -2.565 0.000) 21.510 3.911 ( -26.435 2.408 0.000) 26.545 4.002 ( -0.091 -1.107 0.000) 1.110 4.109 ( -19.059 2.231 0.000) 19.189 4.151 ( -5.962 -1.594 0.000) 6.172 4.357 ( -8.830 8.723 0.000) 12.412 4.433 ( -13.395 3.176 0.000) 13.767 4.579 ( -11.600 2.051 0.000) 11.780 4.898 ( 8.022 1.507 0.000) 8.163 4.990 ( -0.897 2.455 0.000) 2.614 5.040 ( 3.409 -0.916 0.000) 3.530 5.103 ( 7.203 -4.668 0.000) 8.583 5.126 ( 4.045 -4.072 0.000) 5.740 5.318 ( -0.213 5.325 0.000) 5.329 5.390 ( 3.507 1.498 0.000) 3.814 5.464 ( 3.055 -4.222 0.000) 5.211 5.517 ( 3.895 13.461 0.000) 14.013 5.667 ( -1.926 -6.036 0.000) 6.336 6.108 ( 0.550 -0.466 0.000) 0.721 6.125 ( 0.170 2.255 0.000) 2.261 6.360 ( 9.063 -4.681 0.000) 10.200 6.446 ( -1.152 10.758 0.000) 10.820 6.579 ( -0.578 -5.246 0.000) 5.278 6.659 ( 2.196 4.304 0.000) 4.832 6.684 ( 1.615 -1.843 0.000) 2.451 6.875 ( -6.718 1.421 0.000) 6.867 6.983 ( 4.265 -6.734 0.000) 7.971 7.085 ( 1.067 2.854 0.000) 3.047 7.298 ( -2.967 2.457 0.000) 3.853 7.333 ( 0.656 -0.251 0.000) 0.702 7.397 ( -5.979 -3.102 0.000) 6.736 7.504 ( 0.393 9.468 0.000) 9.476 7.648 ( -10.332 -0.766 0.000) 10.360 7.803 ( -5.709 -7.663 0.000) 9.556 8.103 ( 1.279 6.006 0.000) 6.141 8.241 ( -0.290 -5.257 0.000) 5.265 8.346 ( 9.091 -12.073 0.000) 15.113 8.444 ( 9.967 -10.651 0.000) 14.587 8.563 ( 8.300 -7.076 0.000) 10.907 9.007 ( -11.181 -11.162 0.000) 15.799 9.179 ( 3.005 -9.029 0.000) 9.516 9.273 ( 1.750 -11.431 0.000) 11.564 9.651 ( -9.361 15.992 0.000) 18.531 9.745 ( -8.015 19.073 0.000) 20.688 10.039 ( 0.818 -6.090 0.000) 6.144 10.161 ( 5.787 12.699 0.000) 13.955 10.227 ( 7.768 -7.567 0.000) 10.844 10.276 ( 1.792 3.024 0.000) 3.515 10.402 ( 4.232 -7.085 0.000) 8.253 10.444 ( -3.714 -3.084 0.000) 4.828 10.990 ( -0.577 20.592 0.000) 20.600 11.165 ( -6.401 3.690 0.000) 7.388 11.217 ( 2.255 1.064 0.000) 2.494 11.314 ( -6.798 9.500 0.000) 11.682 11.458 ( -16.103 26.744 0.000) 31.217 11.713 ( 6.837 -3.584 0.000) 7.719 11.801 ( 1.600 1.232 0.000) 2.019 12.027 ( 4.054 2.579 0.000) 4.804 12.038 ( -2.427 -6.169 0.000) 6.630 12.446 ( 3.644 -0.029 0.000) 3.644 12.478 ( 4.973 -8.206 0.000) 9.595 12.688 ( -4.422 -5.874 0.000) 7.352 13.134 ( 0.407 -2.580 0.000) 2.612 13.294 ( -3.935 2.040 0.000) 4.432 13.417 ( 3.925 -11.912 0.000) 12.542 13.603 ( 2.646 4.243 0.000) 5.001 13.679 ( 0.787 -3.934 0.000) 4.012 13.720 ( 2.753 -5.356 0.000) 6.022 13.877 ( 3.378 -2.757 0.000) 4.360 13.943 ( -0.731 4.744 0.000) 4.800 14.309 ( 2.919 -16.683 0.000) 16.936 14.317 ( -1.863 -7.978 0.000) 8.193 14.563 ( 8.752 -8.703 0.000) 12.343 14.673 ( 0.794 -3.976 0.000) 4.055 15.185 ( 3.898 7.648 0.000) 8.584 16.053 ( -15.258 7.342 0.000) 16.933 16.123 ( 23.757 -24.379 0.000) 34.040 16.301 ( 6.637 29.867 0.000) 30.595 16.431 ( -2.095 10.496 0.000) 10.704 16.860 ( -5.141 17.102 0.000) 17.858 18.836 ( 0.038 0.697 0.000) 0.698 18.866 ( -1.194 3.617 0.000) 3.809 19.128 ( -0.706 -1.335 0.000) 1.510 19.162 ( -0.795 -5.325 0.000) 5.384 19.290 ( 6.395 3.127 0.000) 7.119 19.401 ( 1.588 1.348 0.000) 2.083 19.413 ( 2.708 4.552 0.000) 5.297 19.557 ( 0.405 -2.523 0.000) 2.555 19.970 ( -0.304 -3.727 0.000) 3.740 19.997 ( 0.755 -4.357 0.000) 4.422 21.817 ( 0.861 27.987 0.000) 28.000 22.984 ( -78.324 83.509 0.000) 114.492 25.339 ( 4.121 -8.821 0.000) 9.736 25.671 ( 9.789 -14.328 0.000) 17.352 25.836 ( 1.316 -6.489 0.000) 6.621 25.923 ( 0.156 0.776 0.000) 0.791 26.430 ( 5.984 -5.811 0.000) 8.342 26.761 ( -2.991 -3.151 0.000) 4.344 ======================= Grid point 7 (6/60) ======================= q-point: ( 0.40 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( 25.896 11.679 0.000) 28.408 1.422 ( 13.944 31.157 0.000) 34.135 1.731 ( -12.176 37.424 0.000) 39.355 1.766 ( -14.593 19.720 0.000) 24.532 2.301 ( 5.352 39.099 0.000) 39.464 2.320 ( 0.466 43.024 0.000) 43.027 2.433 ( 28.318 6.531 0.000) 29.061 2.512 ( 25.707 10.229 0.000) 27.667 2.727 ( -10.405 -4.813 0.000) 11.464 3.101 ( 26.696 -1.305 0.000) 26.728 3.257 ( -42.724 9.848 0.000) 43.844 3.638 ( -29.774 -1.416 0.000) 29.808 3.834 ( 20.003 -3.956 0.000) 20.391 4.038 ( -1.147 -1.716 0.000) 2.064 4.116 ( 2.206 -1.477 0.000) 2.654 4.221 ( -9.425 2.492 0.000) 9.749 4.261 ( -2.329 7.855 0.000) 8.193 4.346 ( -12.374 2.400 0.000) 12.605 4.974 ( 1.038 4.093 0.000) 4.223 4.980 ( -0.222 3.767 0.000) 3.773 5.119 ( 4.530 -5.541 0.000) 7.157 5.160 ( -0.036 -6.316 0.000) 6.316 5.211 ( 4.893 -6.778 0.000) 8.359 5.289 ( -3.369 -2.827 0.000) 4.398 5.482 ( 5.556 4.326 0.000) 7.041 5.518 ( 2.171 5.712 0.000) 6.110 5.561 ( 0.919 8.624 0.000) 8.673 5.603 ( -4.371 -0.984 0.000) 4.481 6.121 ( 0.741 -0.128 0.000) 0.752 6.128 ( -0.002 0.814 0.000) 0.814 6.473 ( 4.142 0.675 0.000) 4.197 6.547 ( -3.292 -3.995 0.000) 5.177 6.564 ( 10.437 1.233 0.000) 10.509 6.694 ( -2.595 1.044 0.000) 2.797 6.707 ( 2.769 1.762 0.000) 3.282 6.757 ( -4.348 2.664 0.000) 5.100 7.069 ( 1.528 4.929 0.000) 5.161 7.132 ( 9.856 -6.289 0.000) 11.691 7.170 ( -9.185 1.333 0.000) 9.281 7.303 ( -6.329 -6.559 0.000) 9.114 7.376 ( 2.914 0.811 0.000) 3.025 7.460 ( -8.328 3.636 0.000) 9.087 7.560 ( 5.366 4.045 0.000) 6.720 7.678 ( -7.243 -1.499 0.000) 7.396 8.144 ( 2.923 3.824 0.000) 4.814 8.200 ( -3.117 0.278 0.000) 3.129 8.546 ( 11.859 -12.698 0.000) 17.375 8.617 ( 8.205 -15.100 0.000) 17.185 8.664 ( 1.055 -14.621 0.000) 14.659 8.791 ( -12.295 -12.400 0.000) 17.462 9.239 ( 3.141 -9.284 0.000) 9.801 9.277 ( -0.984 -9.616 0.000) 9.666 9.554 ( -1.296 17.783 0.000) 17.830 9.605 ( -6.332 18.781 0.000) 19.820 10.096 ( 5.559 -3.532 0.000) 6.586 10.216 ( -6.153 -3.340 0.000) 7.001 10.264 ( 3.739 12.668 0.000) 13.209 10.306 ( 0.422 3.001 0.000) 3.030 10.448 ( 3.004 -2.676 0.000) 4.023 10.466 ( 1.918 -5.954 0.000) 6.256 10.980 ( 0.747 15.705 0.000) 15.723 11.046 ( -6.030 7.510 0.000) 9.631 11.204 ( -1.875 11.261 0.000) 11.416 11.214 ( -3.301 10.927 0.000) 11.414 11.465 ( 11.008 6.456 0.000) 12.761 11.685 ( -10.925 0.750 0.000) 10.951 11.857 ( 7.056 -3.051 0.000) 7.688 11.970 ( -5.098 -4.517 0.000) 6.811 12.216 ( 14.467 2.824 0.000) 14.740 12.488 ( -14.243 1.294 0.000) 14.302 12.505 ( 2.222 -1.651 0.000) 2.769 12.519 ( 0.177 -4.430 0.000) 4.433 13.162 ( 2.824 -1.847 0.000) 3.374 13.227 ( -3.951 -0.833 0.000) 4.038 13.500 ( 4.783 -9.838 0.000) 10.939 13.577 ( -3.518 -6.680 0.000) 7.550 13.730 ( 3.054 0.154 0.000) 3.058 13.758 ( 0.489 -4.452 0.000) 4.479 13.922 ( 1.589 2.371 0.000) 2.854 13.934 ( -0.183 5.844 0.000) 5.847 14.288 ( -0.811 -10.240 0.000) 10.272 14.300 ( -1.767 -13.395 0.000) 13.511 14.669 ( 2.716 -9.413 0.000) 9.797 14.685 ( 0.271 -6.210 0.000) 6.216 15.355 ( 15.076 7.770 0.000) 16.960 15.701 ( -21.533 6.773 0.000) 22.573 16.305 ( 4.376 14.712 0.000) 15.349 16.377 ( -3.644 14.401 0.000) 14.855 16.560 ( 13.871 -5.790 0.000) 15.031 16.745 ( -7.620 6.438 0.000) 9.975 18.838 ( 0.237 1.298 0.000) 1.320 18.847 ( -0.790 2.249 0.000) 2.384 19.128 ( 0.612 -2.456 0.000) 2.531 19.144 ( -1.051 -3.564 0.000) 3.716 19.401 ( 4.314 2.123 0.000) 4.808 19.426 ( 0.684 0.759 0.000) 1.021 19.472 ( 4.007 4.026 0.000) 5.680 19.542 ( -2.552 0.814 0.000) 2.678 19.970 ( 0.454 -2.391 0.000) 2.433 19.989 ( -1.341 -1.926 0.000) 2.347 21.869 ( 6.116 37.984 0.000) 38.473 22.118 ( -25.115 60.778 0.000) 65.763 25.447 ( 7.569 -8.531 0.000) 11.405 25.598 ( -8.598 -8.288 0.000) 11.942 25.904 ( 2.363 -4.539 0.000) 5.117 25.924 ( -0.246 -1.017 0.000) 1.046 26.559 ( 7.474 -4.763 0.000) 8.863 26.681 ( -5.777 -3.807 0.000) 6.918 ======================= Grid point 10 (7/60) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( 0.000 21.741 0.000) 21.741 1.131 ( 0.000 29.645 0.000) 29.645 1.766 ( 0.000 -6.484 0.000) 6.484 2.415 ( 0.000 31.506 0.000) 31.506 2.515 ( 0.000 -8.869 0.000) 8.869 2.620 ( 0.000 -0.897 0.000) 0.897 2.647 ( 0.000 31.093 0.000) 31.093 2.941 ( 0.000 31.096 0.000) 31.096 2.989 ( 0.000 30.984 0.000) 30.984 3.214 ( 0.000 27.827 0.000) 27.827 3.398 ( 0.000 29.684 0.000) 29.684 3.978 ( 0.000 -0.225 0.000) 0.225 4.071 ( 0.000 -11.554 0.000) 11.554 4.122 ( 0.000 1.392 0.000) 1.392 4.465 ( 0.000 -2.010 0.000) 2.010 4.482 ( 0.000 -1.439 0.000) 1.439 4.531 ( 0.000 6.160 0.000) 6.160 4.808 ( 0.000 0.622 0.000) 0.622 4.861 ( 0.000 -2.563 0.000) 2.563 4.949 ( 0.000 7.237 0.000) 7.237 5.016 ( 0.000 -10.279 0.000) 10.279 5.028 ( 0.000 1.391 0.000) 1.391 5.053 ( 0.000 2.582 0.000) 2.582 5.296 ( 0.000 -5.189 0.000) 5.189 5.400 ( 0.000 5.417 0.000) 5.417 5.426 ( 0.000 -11.379 0.000) 11.379 5.506 ( 0.000 9.423 0.000) 9.423 5.755 ( 0.000 12.708 0.000) 12.708 6.114 ( 0.000 3.046 0.000) 3.046 6.193 ( 0.000 4.453 0.000) 4.453 6.226 ( 0.000 0.709 0.000) 0.709 6.462 ( 0.000 -7.019 0.000) 7.019 6.572 ( 0.000 -7.747 0.000) 7.747 6.662 ( 0.000 -5.229 0.000) 5.229 6.678 ( 0.000 9.430 0.000) 9.430 6.820 ( 0.000 -11.396 0.000) 11.396 6.839 ( 0.000 -8.720 0.000) 8.720 6.953 ( 0.000 0.106 0.000) 0.106 7.384 ( 0.000 -3.403 0.000) 3.403 7.438 ( 0.000 0.589 0.000) 0.589 7.497 ( 0.000 11.832 0.000) 11.832 7.697 ( 0.000 -4.783 0.000) 4.783 7.701 ( 0.000 1.759 0.000) 1.759 7.772 ( 0.000 14.431 0.000) 14.431 7.997 ( 0.000 -11.298 0.000) 11.298 8.088 ( 0.000 -4.170 0.000) 4.170 8.194 ( 0.000 -3.339 0.000) 3.339 8.257 ( 0.000 3.343 0.000) 3.343 8.477 ( 0.000 -3.258 0.000) 3.258 8.880 ( 0.000 -17.427 0.000) 17.427 8.901 ( 0.000 -16.475 0.000) 16.475 8.944 ( 0.000 -14.194 0.000) 14.194 9.845 ( 0.000 -8.839 0.000) 8.839 9.937 ( 0.000 -3.083 0.000) 3.083 9.971 ( 0.000 -0.937 0.000) 0.937 10.146 ( 0.000 8.630 0.000) 8.630 10.170 ( 0.000 -6.196 0.000) 6.196 10.175 ( 0.000 1.211 0.000) 1.211 10.457 ( 0.000 1.432 0.000) 1.432 10.501 ( 0.000 15.028 0.000) 15.028 11.210 ( 0.000 2.288 0.000) 2.288 11.361 ( 0.000 9.469 0.000) 9.469 11.407 ( 0.000 18.987 0.000) 18.987 11.535 ( 0.000 -3.115 0.000) 3.115 11.655 ( 0.000 16.498 0.000) 16.498 11.773 ( 0.000 0.036 0.000) 0.036 11.856 ( 0.000 -10.463 0.000) 10.463 12.029 ( 0.000 -1.871 0.000) 1.871 12.091 ( 0.000 0.594 0.000) 0.594 12.245 ( 0.000 9.148 0.000) 9.148 12.415 ( 0.000 -0.823 0.000) 0.823 12.539 ( 0.000 -6.711 0.000) 6.711 13.094 ( 0.000 -0.633 0.000) 0.633 13.127 ( 0.000 -11.049 0.000) 11.049 13.526 ( 0.000 -2.334 0.000) 2.334 13.529 ( 0.000 3.800 0.000) 3.800 13.569 ( 0.000 -6.681 0.000) 6.681 13.600 ( 0.000 -1.055 0.000) 1.055 13.874 ( 0.000 6.732 0.000) 6.732 13.912 ( 0.000 -9.243 0.000) 9.243 14.097 ( 0.000 -6.162 0.000) 6.162 14.268 ( 0.000 2.096 0.000) 2.096 14.370 ( 0.000 -6.596 0.000) 6.596 14.585 ( 0.000 -5.099 0.000) 5.099 15.283 ( 0.000 7.021 0.000) 7.021 15.691 ( 0.000 -5.347 0.000) 5.347 16.352 ( 0.000 7.373 0.000) 7.373 16.572 ( 0.000 2.640 0.000) 2.640 17.036 ( 0.000 45.850 0.000) 45.850 17.454 ( 0.000 34.007 0.000) 34.007 18.791 ( 0.000 -6.627 0.000) 6.627 18.960 ( 0.000 -15.693 0.000) 15.693 18.997 ( 0.000 7.600 0.000) 7.600 19.233 ( 0.000 9.129 0.000) 9.129 19.264 ( 0.000 3.173 0.000) 3.173 19.442 ( 0.000 0.416 0.000) 0.416 19.448 ( 0.000 4.488 0.000) 4.488 19.459 ( 0.000 -6.173 0.000) 6.173 19.854 ( 0.000 -7.894 0.000) 7.894 19.858 ( 0.000 -7.942 0.000) 7.942 22.526 ( 0.000 47.813 0.000) 47.813 24.958 ( 0.000 12.223 0.000) 12.223 25.010 ( 0.000 -22.618 0.000) 22.618 25.055 ( 0.000 13.843 0.000) 13.843 25.736 ( 0.000 -8.505 0.000) 8.505 25.996 ( 0.000 7.160 0.000) 7.160 26.173 ( 0.000 -14.234 0.000) 14.234 26.685 ( 0.000 -8.294 0.000) 8.294 ======================= Grid point 11 (8/60) ======================= q-point: ( 0.20 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( 13.851 25.511 0.000) 29.028 1.389 ( 32.342 16.382 0.000) 36.254 2.002 ( 22.122 -5.262 0.000) 22.739 2.416 ( -3.651 8.957 0.000) 9.672 2.476 ( -4.217 -0.712 0.000) 4.276 2.538 ( 0.261 38.005 0.000) 38.006 2.768 ( 11.722 12.646 0.000) 17.243 2.822 ( -8.027 20.856 0.000) 22.347 3.088 ( 5.590 35.875 0.000) 36.307 3.248 ( 1.492 38.865 0.000) 38.893 3.522 ( 14.157 14.639 0.000) 20.365 3.931 ( -11.328 -0.578 0.000) 11.342 4.037 ( -4.560 4.142 0.000) 6.160 4.048 ( -1.219 -7.789 0.000) 7.883 4.159 ( -24.546 4.109 0.000) 24.888 4.422 ( -5.152 0.170 0.000) 5.155 4.497 ( -10.072 3.221 0.000) 10.574 4.619 ( -13.182 1.564 0.000) 13.274 4.947 ( 4.208 -4.159 0.000) 5.916 4.976 ( 3.456 0.094 0.000) 3.458 5.013 ( -0.227 -8.482 0.000) 8.485 5.049 ( 1.586 -0.778 0.000) 1.767 5.091 ( 2.235 5.534 0.000) 5.969 5.274 ( -2.998 -5.871 0.000) 6.592 5.430 ( 3.618 3.263 0.000) 4.872 5.496 ( 5.806 -7.958 0.000) 9.851 5.532 ( 3.318 7.793 0.000) 8.470 5.767 ( -0.050 10.008 0.000) 10.009 6.126 ( 1.364 3.907 0.000) 4.138 6.191 ( -0.255 4.516 0.000) 4.523 6.295 ( 6.686 -0.787 0.000) 6.732 6.467 ( 0.400 -5.858 0.000) 5.872 6.602 ( 2.896 -7.024 0.000) 7.598 6.620 ( -2.311 1.118 0.000) 2.567 6.710 ( 1.806 4.390 0.000) 4.747 6.820 ( -2.231 -7.419 0.000) 7.747 6.826 ( 4.044 -8.566 0.000) 9.472 7.086 ( 10.614 -2.317 0.000) 10.864 7.323 ( -6.316 -3.486 0.000) 7.214 7.382 ( -4.869 2.671 0.000) 5.553 7.431 ( -6.200 11.583 0.000) 13.138 7.602 ( -7.098 -1.374 0.000) 7.230 7.729 ( -0.049 1.970 0.000) 1.970 7.735 ( -2.502 13.477 0.000) 13.707 8.076 ( 7.982 -14.368 0.000) 16.437 8.127 ( 3.079 -4.875 0.000) 5.766 8.227 ( 1.616 4.960 0.000) 5.216 8.270 ( 3.025 -6.865 0.000) 7.502 8.477 ( -0.370 -5.545 0.000) 5.558 8.738 ( -11.201 -15.740 0.000) 19.318 8.929 ( 2.814 -16.475 0.000) 16.714 9.006 ( 2.703 -15.554 0.000) 15.787 9.804 ( -1.980 1.332 0.000) 2.387 9.936 ( 2.454 -1.689 0.000) 2.979 10.050 ( -7.153 12.236 0.000) 14.174 10.095 ( 9.086 -8.579 0.000) 12.497 10.201 ( -0.778 -2.240 0.000) 2.371 10.271 ( 8.973 -4.159 0.000) 9.890 10.396 ( -3.465 -0.797 0.000) 3.555 10.535 ( 0.909 13.571 0.000) 13.602 11.227 ( 2.168 1.146 0.000) 2.452 11.316 ( -3.390 11.152 0.000) 11.656 11.385 ( -2.482 18.152 0.000) 18.321 11.459 ( -5.543 2.992 0.000) 6.300 11.739 ( 6.350 9.186 0.000) 11.167 11.751 ( -9.081 0.233 0.000) 9.084 11.814 ( 0.095 0.890 0.000) 0.895 11.992 ( -3.516 5.810 0.000) 6.792 12.038 ( 4.539 -2.799 0.000) 5.332 12.370 ( 5.907 -1.704 0.000) 6.148 12.451 ( 3.165 -0.205 0.000) 3.172 12.570 ( 0.683 -5.801 0.000) 5.841 13.105 ( 1.938 0.496 0.000) 2.000 13.185 ( 5.384 -10.557 0.000) 11.851 13.412 ( -7.618 8.166 0.000) 11.168 13.540 ( -5.139 -5.413 0.000) 7.464 13.595 ( 2.442 -6.970 0.000) 7.385 13.596 ( 3.091 -6.912 0.000) 7.572 13.917 ( 0.664 -9.269 0.000) 9.293 13.949 ( 5.996 8.245 0.000) 10.194 14.056 ( -3.096 -10.401 0.000) 10.852 14.241 ( -2.938 2.420 0.000) 3.806 14.435 ( 5.427 -6.563 0.000) 8.516 14.581 ( -0.462 -5.522 0.000) 5.542 15.331 ( 5.836 7.882 0.000) 9.808 15.822 ( 13.120 -10.514 0.000) 16.813 16.200 ( -15.771 7.526 0.000) 17.474 16.517 ( -6.117 -0.970 0.000) 6.193 17.069 ( 3.577 45.392 0.000) 45.532 17.401 ( -5.390 35.849 0.000) 36.251 18.798 ( 0.655 -6.431 0.000) 6.464 18.897 ( -3.726 -7.058 0.000) 7.981 19.058 ( 3.561 0.017 0.000) 3.561 19.173 ( -2.712 5.780 0.000) 6.385 19.366 ( 6.707 5.375 0.000) 8.595 19.431 ( -0.371 -0.846 0.000) 0.924 19.454 ( 1.211 -0.587 0.000) 1.346 19.496 ( 2.313 -0.924 0.000) 2.490 19.863 ( 0.640 -7.481 0.000) 7.508 19.874 ( 1.698 -7.855 0.000) 8.036 22.582 ( 6.592 49.814 0.000) 50.249 24.098 ( -52.274 42.213 0.000) 67.190 25.053 ( 4.733 -22.108 0.000) 22.609 25.487 ( 5.199 -6.919 0.000) 8.655 25.711 ( 4.613 -5.156 0.000) 6.918 25.985 ( -1.262 6.456 0.000) 6.578 26.259 ( 8.054 -11.943 0.000) 14.405 26.654 ( -3.482 -8.463 0.000) 9.152 ======================= Grid point 12 (9/60) ======================= q-point: ( 0.40 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( 18.378 17.747 0.000) 25.548 1.789 ( 2.617 13.532 0.000) 13.783 2.288 ( -1.479 20.579 0.000) 20.632 2.372 ( -6.764 15.890 0.000) 17.269 2.388 ( 18.562 -2.118 0.000) 18.682 2.656 ( -11.188 7.522 0.000) 13.482 2.840 ( 28.919 23.399 0.000) 37.200 3.096 ( 24.833 7.664 0.000) 25.989 3.158 ( 0.822 35.935 0.000) 35.944 3.257 ( 0.713 41.939 0.000) 41.945 3.507 ( -30.508 13.712 0.000) 33.448 3.631 ( -30.860 5.095 0.000) 31.278 3.848 ( 19.342 5.821 0.000) 20.199 4.033 ( -0.803 1.220 0.000) 1.461 4.062 ( 3.024 -3.245 0.000) 4.436 4.249 ( -16.291 1.555 0.000) 16.365 4.345 ( -2.057 1.209 0.000) 2.386 4.399 ( -8.794 2.345 0.000) 9.101 4.987 ( 1.258 -10.844 0.000) 10.917 5.004 ( -0.708 -10.147 0.000) 10.171 5.067 ( 3.949 -0.109 0.000) 3.950 5.075 ( 1.150 1.237 0.000) 1.689 5.117 ( 2.030 5.498 0.000) 5.861 5.198 ( -5.060 -1.850 0.000) 5.387 5.510 ( 4.104 -0.825 0.000) 4.187 5.547 ( 0.377 -5.091 0.000) 5.105 5.633 ( 5.934 6.007 0.000) 8.444 5.727 ( -4.146 6.321 0.000) 7.559 6.157 ( 1.710 4.778 0.000) 5.075 6.181 ( -0.942 4.745 0.000) 4.838 6.415 ( 5.149 -3.105 0.000) 6.013 6.465 ( -0.957 -3.931 0.000) 4.046 6.618 ( 2.256 -1.075 0.000) 2.499 6.648 ( 0.982 -5.394 0.000) 5.482 6.730 ( 0.549 0.681 0.000) 0.875 6.761 ( -3.572 -3.490 0.000) 4.994 6.972 ( 10.814 -5.132 0.000) 11.970 7.170 ( -10.251 -3.957 0.000) 10.988 7.276 ( 9.410 4.314 0.000) 10.351 7.311 ( -2.038 7.997 0.000) 8.253 7.332 ( -2.974 5.374 0.000) 6.142 7.454 ( -8.970 -0.557 0.000) 8.987 7.707 ( -0.507 9.379 0.000) 9.393 7.714 ( -1.031 5.022 0.000) 5.127 8.173 ( 1.894 -2.775 0.000) 3.360 8.192 ( 0.657 -3.646 0.000) 3.704 8.291 ( 10.017 -10.096 0.000) 14.222 8.364 ( 5.948 -9.701 0.000) 11.379 8.445 ( -3.594 -11.552 0.000) 12.098 8.516 ( -12.609 -13.082 0.000) 18.169 8.986 ( 3.034 -16.347 0.000) 16.626 9.023 ( -0.735 -15.950 0.000) 15.967 9.814 ( 3.294 10.416 0.000) 10.924 9.915 ( -7.266 14.151 0.000) 15.907 10.019 ( 6.156 -2.714 0.000) 6.728 10.133 ( -5.878 -3.823 0.000) 7.012 10.251 ( 7.405 -8.879 0.000) 11.561 10.346 ( -3.212 -5.987 0.000) 6.794 10.425 ( 7.050 1.303 0.000) 7.169 10.515 ( -3.052 8.808 0.000) 9.322 11.276 ( -0.598 12.157 0.000) 12.172 11.280 ( 1.755 1.967 0.000) 2.636 11.335 ( -0.870 14.752 0.000) 14.777 11.378 ( -3.409 6.013 0.000) 6.912 11.652 ( -0.577 6.751 0.000) 6.776 11.724 ( -7.010 1.370 0.000) 7.143 11.851 ( 5.705 5.980 0.000) 8.264 11.937 ( -3.633 4.304 0.000) 5.632 12.224 ( 13.151 -2.571 0.000) 13.400 12.413 ( -3.802 -5.313 0.000) 6.534 12.497 ( 1.285 1.064 0.000) 1.668 12.516 ( -3.469 1.560 0.000) 3.803 13.169 ( 5.064 3.219 0.000) 6.001 13.279 ( -6.854 6.054 0.000) 9.145 13.301 ( 7.087 -9.719 0.000) 12.029 13.429 ( -6.896 -7.759 0.000) 10.380 13.636 ( 1.489 -7.507 0.000) 7.654 13.638 ( 1.255 -8.034 0.000) 8.132 13.942 ( 2.262 -9.960 0.000) 10.214 13.991 ( -2.559 -9.673 0.000) 10.006 14.068 ( 5.454 3.760 0.000) 6.625 14.167 ( -5.047 3.392 0.000) 6.081 14.520 ( 3.612 -6.966 0.000) 7.847 14.565 ( -1.493 -6.414 0.000) 6.586 15.514 ( 14.813 8.635 0.000) 17.146 15.849 ( -20.927 8.215 0.000) 22.481 16.098 ( 15.815 -14.492 0.000) 21.451 16.353 ( -11.908 -9.155 0.000) 15.021 17.159 ( 6.203 43.499 0.000) 43.939 17.283 ( -7.137 39.855 0.000) 40.489 18.814 ( 1.173 -6.150 0.000) 6.260 18.843 ( -2.224 -6.170 0.000) 6.558 19.108 ( 1.999 1.571 0.000) 2.542 19.138 ( -1.552 3.863 0.000) 4.163 19.438 ( 0.892 -1.403 0.000) 1.663 19.446 ( 0.892 1.343 0.000) 1.612 19.492 ( 3.237 0.058 0.000) 3.237 19.523 ( 0.207 0.151 0.000) 0.256 19.881 ( 1.220 -6.771 0.000) 6.880 19.894 ( 0.145 -7.220 0.000) 7.222 22.794 ( 18.113 54.688 0.000) 57.610 23.278 ( -36.376 56.502 0.000) 67.198 25.179 ( 8.993 -20.365 0.000) 22.262 25.364 ( -10.835 -16.913 0.000) 20.086 25.860 ( 6.895 1.242 0.000) 7.006 25.947 ( -3.134 4.401 0.000) 5.403 26.418 ( 8.840 -9.937 0.000) 13.301 26.561 ( -6.687 -8.966 0.000) 11.186 ======================= Grid point 15 (10/60) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( 0.000 15.561 0.000) 15.561 1.607 ( 0.000 -10.389 0.000) 10.389 1.678 ( 0.000 27.468 0.000) 27.468 2.164 ( 0.000 -23.126 0.000) 23.126 2.567 ( 0.000 2.537 0.000) 2.537 2.600 ( 0.000 -1.234 0.000) 1.234 3.375 ( 0.000 14.250 0.000) 14.250 3.450 ( 0.000 9.480 0.000) 9.480 3.463 ( 0.000 10.377 0.000) 10.377 3.486 ( 0.000 26.830 0.000) 26.830 3.925 ( 0.000 8.785 0.000) 8.785 4.028 ( 0.000 6.398 0.000) 6.398 4.092 ( 0.000 27.700 0.000) 27.700 4.128 ( 0.000 -2.021 0.000) 2.021 4.422 ( 0.000 -7.089 0.000) 7.089 4.483 ( 0.000 4.464 0.000) 4.464 4.547 ( 0.000 -34.750 0.000) 34.750 4.595 ( 0.000 -2.433 0.000) 2.433 4.751 ( 0.000 -2.741 0.000) 2.741 4.784 ( 0.000 -2.747 0.000) 2.747 5.067 ( 0.000 3.039 0.000) 3.039 5.106 ( 0.000 4.736 0.000) 4.736 5.114 ( 0.000 2.677 0.000) 2.677 5.159 ( 0.000 -6.862 0.000) 6.862 5.454 ( 0.000 9.129 0.000) 9.129 5.596 ( 0.000 -2.164 0.000) 2.164 5.602 ( 0.000 14.667 0.000) 14.667 5.827 ( 0.000 -5.719 0.000) 5.719 6.288 ( 0.000 12.826 0.000) 12.826 6.292 ( 0.000 5.281 0.000) 5.281 6.302 ( 0.000 6.569 0.000) 6.569 6.351 ( 0.000 -3.272 0.000) 3.272 6.415 ( 0.000 -5.143 0.000) 5.143 6.504 ( 0.000 -7.378 0.000) 7.378 6.580 ( 0.000 -12.330 0.000) 12.330 6.611 ( 0.000 -14.709 0.000) 14.709 6.841 ( 0.000 7.355 0.000) 7.355 6.945 ( 0.000 -2.906 0.000) 2.906 7.338 ( 0.000 -1.218 0.000) 1.218 7.358 ( 0.000 -3.834 0.000) 3.834 7.658 ( 0.000 2.075 0.000) 2.075 7.780 ( 0.000 16.362 0.000) 16.362 7.781 ( 0.000 -10.007 0.000) 10.007 7.919 ( 0.000 14.781 0.000) 14.781 8.015 ( 0.000 -6.190 0.000) 6.190 8.055 ( 0.000 14.860 0.000) 14.860 8.120 ( 0.000 -5.703 0.000) 5.703 8.331 ( 0.000 -12.710 0.000) 12.710 8.343 ( 0.000 6.355 0.000) 6.355 8.565 ( 0.000 -16.848 0.000) 16.848 8.610 ( 0.000 -5.919 0.000) 5.919 8.691 ( 0.000 -11.210 0.000) 11.210 9.744 ( 0.000 -0.711 0.000) 0.711 9.826 ( 0.000 -8.547 0.000) 8.547 9.977 ( 0.000 5.872 0.000) 5.872 10.098 ( 0.000 -5.116 0.000) 5.116 10.200 ( 0.000 1.343 0.000) 1.343 10.212 ( 0.000 0.533 0.000) 0.533 10.536 ( 0.000 5.832 0.000) 5.832 10.632 ( 0.000 -1.651 0.000) 1.651 11.315 ( 0.000 8.982 0.000) 8.982 11.515 ( 0.000 -9.394 0.000) 9.394 11.540 ( 0.000 7.755 0.000) 7.755 11.578 ( 0.000 5.280 0.000) 5.280 11.761 ( 0.000 1.054 0.000) 1.054 11.857 ( 0.000 12.402 0.000) 12.402 11.904 ( 0.000 -8.366 0.000) 8.366 12.001 ( 0.000 16.287 0.000) 16.287 12.060 ( 0.000 -6.194 0.000) 6.194 12.299 ( 0.000 -12.204 0.000) 12.204 12.382 ( 0.000 4.580 0.000) 4.580 12.437 ( 0.000 -3.060 0.000) 3.060 13.036 ( 0.000 1.609 0.000) 1.609 13.094 ( 0.000 -1.511 0.000) 1.511 13.463 ( 0.000 -2.668 0.000) 2.668 13.465 ( 0.000 -3.156 0.000) 3.156 13.508 ( 0.000 2.786 0.000) 2.786 13.679 ( 0.000 -12.841 0.000) 12.841 13.746 ( 0.000 9.616 0.000) 9.616 13.915 ( 0.000 -6.915 0.000) 6.915 14.072 ( 0.000 7.182 0.000) 7.182 14.228 ( 0.000 -8.128 0.000) 8.128 14.359 ( 0.000 6.065 0.000) 6.065 14.477 ( 0.000 -6.086 0.000) 6.086 15.427 ( 0.000 7.827 0.000) 7.827 15.571 ( 0.000 -7.110 0.000) 7.110 16.475 ( 0.000 5.553 0.000) 5.553 16.560 ( 0.000 -3.127 0.000) 3.127 17.886 ( 0.000 41.046 0.000) 41.046 18.090 ( 0.000 30.315 0.000) 30.315 18.548 ( 0.000 -28.032 0.000) 28.032 18.557 ( 0.000 -18.294 0.000) 18.294 19.156 ( 0.000 8.807 0.000) 8.807 19.321 ( 0.000 -8.177 0.000) 8.177 19.333 ( 0.000 3.911 0.000) 3.911 19.397 ( 0.000 -0.987 0.000) 0.987 19.460 ( 0.000 10.005 0.000) 10.005 19.555 ( 0.000 6.663 0.000) 6.663 19.677 ( 0.000 -10.835 0.000) 10.835 19.698 ( 0.000 -8.143 0.000) 8.143 23.516 ( 0.000 52.472 0.000) 52.472 24.415 ( 0.000 -40.030 0.000) 40.030 25.206 ( 0.000 12.914 0.000) 12.914 25.327 ( 0.000 8.566 0.000) 8.566 25.591 ( 0.000 -1.027 0.000) 1.027 25.847 ( 0.000 -18.948 0.000) 18.948 26.199 ( 0.000 13.565 0.000) 13.565 26.471 ( 0.000 -13.731 0.000) 13.731 ======================= Grid point 16 (11/60) ======================= q-point: ( 0.20 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( 27.668 12.739 0.000) 30.460 1.750 ( 7.598 24.793 0.000) 25.932 1.871 ( 24.451 -8.605 0.000) 25.921 2.190 ( 2.716 -20.863 0.000) 21.039 2.540 ( -1.732 5.803 0.000) 6.056 2.633 ( 4.336 -3.676 0.000) 5.684 3.281 ( -8.693 19.122 0.000) 21.006 3.476 ( -0.323 1.647 0.000) 1.679 3.495 ( 2.155 27.381 0.000) 27.466 3.545 ( 8.487 7.256 0.000) 11.166 3.942 ( 2.259 10.100 0.000) 10.350 3.984 ( -6.973 6.694 0.000) 9.666 4.068 ( -5.388 -1.261 0.000) 5.534 4.115 ( 2.189 25.025 0.000) 25.121 4.316 ( -14.795 12.321 0.000) 19.254 4.351 ( -5.131 -10.269 0.000) 11.479 4.517 ( -9.329 -4.076 0.000) 10.180 4.593 ( 3.104 -28.310 0.000) 28.479 4.640 ( -10.650 1.897 0.000) 10.818 4.745 ( -3.639 -10.048 0.000) 10.686 5.094 ( 2.405 3.540 0.000) 4.280 5.101 ( 1.335 6.627 0.000) 6.760 5.174 ( 3.548 0.335 0.000) 3.564 5.185 ( 2.156 -5.523 0.000) 5.929 5.478 ( 2.174 7.249 0.000) 7.569 5.572 ( -2.284 12.513 0.000) 12.720 5.613 ( 1.945 -2.541 0.000) 3.200 5.794 ( -3.332 -7.137 0.000) 7.877 6.305 ( 0.530 7.253 0.000) 7.272 6.313 ( 1.387 14.350 0.000) 14.417 6.330 ( 3.562 3.438 0.000) 4.950 6.392 ( 3.269 -0.853 0.000) 3.378 6.450 ( 4.251 -7.070 0.000) 8.250 6.514 ( 1.181 -5.535 0.000) 5.660 6.597 ( 1.616 -11.870 0.000) 11.980 6.605 ( -0.440 -14.404 0.000) 14.410 6.889 ( 5.273 8.388 0.000) 9.908 7.021 ( 7.454 -5.080 0.000) 9.021 7.293 ( -4.730 0.649 0.000) 4.774 7.341 ( -2.195 -3.816 0.000) 4.402 7.652 ( -0.536 5.131 0.000) 5.159 7.733 ( -4.331 18.349 0.000) 18.853 7.814 ( 3.694 -11.123 0.000) 11.720 7.901 ( -1.625 12.575 0.000) 12.680 7.984 ( -5.346 9.738 0.000) 11.109 8.031 ( 0.352 -5.507 0.000) 5.518 8.116 ( -0.698 -8.674 0.000) 8.702 8.272 ( -6.585 -15.834 0.000) 17.149 8.358 ( 1.886 8.295 0.000) 8.506 8.555 ( -4.068 0.771 0.000) 4.140 8.597 ( 3.192 -16.628 0.000) 16.931 8.718 ( 1.200 -13.606 0.000) 13.659 9.794 ( 5.388 1.223 0.000) 5.525 9.893 ( 6.140 -8.368 0.000) 10.379 10.033 ( 6.213 7.479 0.000) 9.723 10.175 ( -3.206 1.026 0.000) 3.366 10.185 ( 8.731 -6.748 0.000) 11.035 10.191 ( -2.227 0.725 0.000) 2.342 10.452 ( -7.363 7.981 0.000) 10.859 10.614 ( -3.049 -5.295 0.000) 6.110 11.307 ( -0.448 7.569 0.000) 7.582 11.479 ( -3.165 -8.130 0.000) 8.724 11.515 ( -5.940 8.185 0.000) 10.113 11.550 ( -0.168 6.334 0.000) 6.336 11.767 ( -0.526 -0.278 0.000) 0.595 11.841 ( -1.538 12.905 0.000) 12.997 11.889 ( 0.095 -9.273 0.000) 9.273 12.041 ( -1.899 -5.031 0.000) 5.377 12.072 ( 8.190 16.704 0.000) 18.604 12.360 ( 5.668 -10.961 0.000) 12.340 12.405 ( 1.965 4.582 0.000) 4.986 12.487 ( 3.592 -3.435 0.000) 4.970 13.087 ( 5.081 1.099 0.000) 5.198 13.132 ( 4.144 -0.420 0.000) 4.166 13.425 ( -3.912 -1.689 0.000) 4.261 13.465 ( -0.883 -5.494 0.000) 5.564 13.521 ( 1.283 1.977 0.000) 2.357 13.633 ( -8.703 10.800 0.000) 13.870 13.684 ( 0.496 -12.665 0.000) 12.675 13.843 ( -6.562 -10.866 0.000) 12.694 14.135 ( 5.617 9.147 0.000) 10.734 14.298 ( 5.474 -7.860 0.000) 9.578 14.341 ( -1.904 6.525 0.000) 6.797 14.467 ( -1.134 -6.419 0.000) 6.518 15.486 ( 6.785 8.339 0.000) 10.751 15.646 ( 8.315 -8.559 0.000) 11.933 16.334 ( -14.622 6.539 0.000) 16.018 16.448 ( -11.804 -5.304 0.000) 12.941 17.908 ( 2.274 40.277 0.000) 40.342 18.072 ( -1.952 31.858 0.000) 31.918 18.550 ( 0.194 -26.597 0.000) 26.598 18.560 ( 0.183 -18.928 0.000) 18.929 19.170 ( 1.477 8.058 0.000) 8.193 19.298 ( -2.623 6.314 0.000) 6.838 19.324 ( 0.524 -7.660 0.000) 7.678 19.402 ( -0.428 -4.368 0.000) 4.389 19.507 ( 4.271 9.141 0.000) 10.090 19.574 ( 1.720 6.526 0.000) 6.749 19.694 ( 1.794 -9.846 0.000) 10.008 19.717 ( 1.730 -8.220 0.000) 8.400 23.586 ( 8.023 52.205 0.000) 52.818 24.471 ( 6.352 -39.137 0.000) 39.649 24.769 ( -30.715 29.795 0.000) 42.791 25.243 ( -16.007 -19.574 0.000) 25.286 25.755 ( 14.203 9.406 0.000) 17.035 25.997 ( 11.587 -14.510 0.000) 18.569 26.175 ( -2.623 12.994 0.000) 13.256 26.439 ( -3.467 -13.512 0.000) 13.949 ======================= Grid point 17 (12/60) ======================= q-point: ( 0.40 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( 10.277 18.225 0.000) 20.923 2.028 ( 4.055 11.640 0.000) 12.326 2.227 ( 8.602 -9.098 0.000) 12.521 2.246 ( 2.713 -15.004 0.000) 15.248 2.651 ( 19.180 13.979 0.000) 23.734 2.865 ( 23.849 -8.329 0.000) 25.261 3.046 ( -18.455 19.721 0.000) 27.010 3.322 ( -19.739 -8.894 0.000) 21.650 3.603 ( 10.218 23.793 0.000) 25.894 3.711 ( 7.718 6.772 0.000) 10.268 3.809 ( -8.423 12.076 0.000) 14.723 3.874 ( -15.851 7.310 0.000) 17.456 4.035 ( 8.884 7.145 0.000) 11.401 4.140 ( -2.869 13.584 0.000) 13.883 4.152 ( 1.434 16.169 0.000) 16.232 4.293 ( -13.952 1.106 0.000) 13.996 4.310 ( 2.339 -2.392 0.000) 3.345 4.436 ( -10.379 3.709 0.000) 11.022 4.639 ( 2.207 -23.866 0.000) 23.968 4.682 ( -2.867 -18.598 0.000) 18.818 5.131 ( 1.263 5.727 0.000) 5.865 5.131 ( 1.263 4.353 0.000) 4.532 5.215 ( 0.959 -1.979 0.000) 2.200 5.216 ( 0.968 -0.178 0.000) 0.984 5.514 ( 1.664 5.534 0.000) 5.778 5.540 ( -1.373 7.692 0.000) 7.814 5.661 ( 3.191 -4.830 0.000) 5.789 5.725 ( -3.888 -7.027 0.000) 8.031 6.315 ( 0.475 8.840 0.000) 8.853 6.321 ( -0.142 11.464 0.000) 11.465 6.397 ( 3.133 0.382 0.000) 3.156 6.427 ( 0.108 -0.027 0.000) 0.111 6.531 ( 2.900 -5.056 0.000) 5.828 6.539 ( 1.143 -3.588 0.000) 3.765 6.607 ( 0.917 -11.424 0.000) 11.460 6.620 ( 0.298 -10.394 0.000) 10.398 7.019 ( 8.496 7.515 0.000) 11.343 7.168 ( 7.679 -7.434 0.000) 10.688 7.174 ( -8.119 4.004 0.000) 9.053 7.279 ( -4.642 -5.907 0.000) 7.513 7.648 ( 0.199 14.491 0.000) 14.492 7.665 ( -2.318 20.592 0.000) 20.722 7.847 ( -0.256 7.462 0.000) 7.467 7.884 ( -4.500 9.025 0.000) 10.084 7.948 ( 7.836 -12.814 0.000) 15.020 8.051 ( 1.736 -12.795 0.000) 12.912 8.090 ( -2.102 -12.362 0.000) 12.540 8.115 ( -9.738 -16.537 0.000) 19.191 8.411 ( 3.770 9.651 0.000) 10.361 8.483 ( -3.990 7.245 0.000) 8.271 8.663 ( 3.640 -16.192 0.000) 16.596 8.714 ( -1.669 -15.386 0.000) 15.477 9.923 ( 8.396 3.175 0.000) 8.976 10.015 ( 7.014 -4.617 0.000) 8.397 10.075 ( -7.658 2.389 0.000) 8.022 10.128 ( -4.967 -0.830 0.000) 5.035 10.175 ( 8.334 7.690 0.000) 11.340 10.315 ( -7.447 8.246 0.000) 11.111 10.366 ( 10.026 -8.262 0.000) 12.992 10.521 ( -6.959 -8.114 0.000) 10.690 11.322 ( 2.459 5.203 0.000) 5.755 11.397 ( -5.879 6.178 0.000) 8.528 11.443 ( 0.395 -4.865 0.000) 4.881 11.502 ( -4.829 -0.871 0.000) 4.907 11.764 ( 1.548 7.961 0.000) 8.110 11.805 ( -2.380 12.489 0.000) 12.714 11.934 ( 3.648 -5.053 0.000) 6.232 11.996 ( -2.998 -4.334 0.000) 5.270 12.256 ( 10.650 10.485 0.000) 14.945 12.400 ( -4.022 5.713 0.000) 6.986 12.464 ( 4.992 -7.081 0.000) 8.664 12.517 ( -0.634 -3.217 0.000) 3.279 13.196 ( 6.678 0.524 0.000) 6.699 13.239 ( 7.395 0.316 0.000) 7.401 13.323 ( -6.976 -0.163 0.000) 6.978 13.383 ( -7.958 -2.373 0.000) 8.304 13.542 ( 0.658 1.069 0.000) 1.255 13.546 ( -0.687 4.649 0.000) 4.700 13.699 ( 1.344 -12.623 0.000) 12.695 13.743 ( -3.855 -12.632 0.000) 13.207 14.228 ( 4.328 8.757 0.000) 9.768 14.294 ( -3.176 7.679 0.000) 8.310 14.384 ( 3.788 -7.603 0.000) 8.495 14.437 ( -2.208 -7.116 0.000) 7.451 15.682 ( 14.961 9.011 0.000) 17.465 15.865 ( 15.406 -10.498 0.000) 18.643 16.006 ( -19.768 8.350 0.000) 21.459 16.172 ( -17.474 -9.204 0.000) 19.750 17.962 ( 3.456 38.136 0.000) 38.292 18.024 ( -3.236 35.060 0.000) 35.209 18.555 ( 0.340 -23.547 0.000) 23.549 18.560 ( -0.155 -20.738 0.000) 20.738 19.206 ( 2.367 7.140 0.000) 7.522 19.251 ( -2.584 7.015 0.000) 7.475 19.344 ( 1.733 -6.871 0.000) 7.086 19.379 ( -1.851 -5.999 0.000) 6.278 19.577 ( 2.812 7.017 0.000) 7.559 19.598 ( 0.436 6.413 0.000) 6.427 19.730 ( 1.680 -8.521 0.000) 8.685 19.741 ( 0.529 -8.234 0.000) 8.251 23.816 ( 17.784 50.159 0.000) 53.219 24.228 ( -27.434 43.263 0.000) 51.228 24.645 ( 12.830 -35.978 0.000) 38.197 24.924 ( -17.561 -29.699 0.000) 34.502 25.969 ( 9.397 9.745 0.000) 13.538 26.102 ( -5.552 11.462 0.000) 12.736 26.195 ( 9.850 -12.784 0.000) 16.138 26.346 ( -6.834 -12.991 0.000) 14.679 ======================= Grid point 35 (13/60) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( 0.000 0.000 27.691) 27.691 0.624 ( 0.000 0.000 29.315) 29.315 1.054 ( 0.000 0.000 49.330) 49.330 1.575 ( 0.000 0.000 2.628) 2.628 1.791 ( 0.000 0.000 0.658) 0.658 1.868 ( 0.000 0.000 -0.267) 0.267 1.898 ( 0.000 0.000 0.324) 0.324 2.393 ( 0.000 0.000 -4.292) 4.292 2.670 ( 0.000 0.000 1.657) 1.657 3.018 ( 0.000 0.000 2.262) 2.262 3.119 ( 0.000 0.000 -2.564) 2.564 3.825 ( 0.000 0.000 -3.896) 3.896 4.024 ( 0.000 0.000 2.418) 2.418 4.114 ( 0.000 0.000 -9.485) 9.485 4.230 ( 0.000 0.000 3.400) 3.400 4.397 ( 0.000 0.000 6.741) 6.741 4.439 ( 0.000 0.000 -19.503) 19.503 4.560 ( 0.000 0.000 -7.550) 7.550 4.571 ( 0.000 0.000 -7.249) 7.249 4.962 ( 0.000 0.000 3.474) 3.474 5.020 ( 0.000 0.000 2.501) 2.501 5.085 ( 0.000 0.000 0.990) 0.990 5.196 ( 0.000 0.000 -3.152) 3.152 5.219 ( 0.000 0.000 11.776) 11.776 5.249 ( 0.000 0.000 -5.821) 5.821 5.564 ( 0.000 0.000 6.175) 6.175 5.567 ( 0.000 0.000 -8.953) 8.953 5.766 ( 0.000 0.000 0.111) 0.111 6.062 ( 0.000 0.000 -1.426) 1.426 6.145 ( 0.000 0.000 1.339) 1.339 6.279 ( 0.000 0.000 5.427) 5.427 6.376 ( 0.000 0.000 -0.051) 0.051 6.460 ( 0.000 0.000 7.558) 7.558 6.545 ( 0.000 0.000 -1.992) 1.992 6.843 ( 0.000 0.000 11.642) 11.642 6.936 ( 0.000 0.000 -2.791) 2.791 6.963 ( 0.000 0.000 -2.804) 2.804 7.000 ( 0.000 0.000 -4.379) 4.379 7.181 ( 0.000 0.000 -5.424) 5.424 7.371 ( 0.000 0.000 -4.253) 4.253 7.417 ( 0.000 0.000 5.477) 5.477 7.494 ( 0.000 0.000 3.752) 3.752 7.526 ( 0.000 0.000 1.605) 1.605 7.742 ( 0.000 0.000 -2.370) 2.370 7.913 ( 0.000 0.000 -4.343) 4.343 8.117 ( 0.000 0.000 3.576) 3.576 8.285 ( 0.000 0.000 -1.732) 1.732 8.479 ( 0.000 0.000 2.038) 2.038 8.730 ( 0.000 0.000 4.949) 4.949 9.109 ( 0.000 0.000 -3.928) 3.928 9.209 ( 0.000 0.000 -0.578) 0.578 9.211 ( 0.000 0.000 -5.141) 5.141 9.386 ( 0.000 0.000 -4.484) 4.484 9.567 ( 0.000 0.000 -1.075) 1.075 9.675 ( 0.000 0.000 5.996) 5.996 9.911 ( 0.000 0.000 -8.001) 8.001 10.142 ( 0.000 0.000 -0.012) 0.012 10.300 ( 0.000 0.000 5.027) 5.027 10.362 ( 0.000 0.000 -4.633) 4.633 10.509 ( 0.000 0.000 6.656) 6.656 10.558 ( 0.000 0.000 0.196) 0.196 10.929 ( 0.000 0.000 -2.653) 2.653 11.191 ( 0.000 0.000 0.294) 0.294 11.225 ( 0.000 0.000 0.526) 0.526 11.251 ( 0.000 0.000 -3.444) 3.444 11.786 ( 0.000 0.000 5.015) 5.015 11.895 ( 0.000 0.000 -3.896) 3.896 12.109 ( 0.000 0.000 10.154) 10.154 12.153 ( 0.000 0.000 0.789) 0.789 12.231 ( 0.000 0.000 7.740) 7.740 12.583 ( 0.000 0.000 -9.551) 9.551 12.778 ( 0.000 0.000 -10.072) 10.072 13.131 ( 0.000 0.000 -4.523) 4.523 13.230 ( 0.000 0.000 -1.542) 1.542 13.455 ( 0.000 0.000 3.982) 3.982 13.573 ( 0.000 0.000 -9.259) 9.259 13.679 ( 0.000 0.000 -5.428) 5.428 13.903 ( 0.000 0.000 2.218) 2.218 13.944 ( 0.000 0.000 4.823) 4.823 14.311 ( 0.000 0.000 6.489) 6.489 14.376 ( 0.000 0.000 0.116) 0.116 14.579 ( 0.000 0.000 5.703) 5.703 14.757 ( 0.000 0.000 5.292) 5.292 15.087 ( 0.000 0.000 12.445) 12.445 15.507 ( 0.000 0.000 1.528) 1.528 15.930 ( 0.000 0.000 0.885) 0.885 15.938 ( 0.000 0.000 11.561) 11.561 16.144 ( 0.000 0.000 4.208) 4.208 16.326 ( 0.000 0.000 -0.806) 0.806 16.726 ( 0.000 0.000 -0.064) 0.064 16.865 ( 0.000 0.000 -1.334) 1.334 18.755 ( 0.000 0.000 -6.639) 6.639 18.770 ( 0.000 0.000 -6.295) 6.295 19.166 ( 0.000 0.000 -2.829) 2.829 19.176 ( 0.000 0.000 -2.947) 2.947 19.279 ( 0.000 0.000 -29.564) 29.564 19.376 ( 0.000 0.000 1.111) 1.111 19.409 ( 0.000 0.000 5.874) 5.874 19.730 ( 0.000 0.000 -16.653) 16.653 19.924 ( 0.000 0.000 -8.577) 8.577 22.024 ( 0.000 0.000 34.575) 34.575 23.628 ( 0.000 0.000 1.579) 1.579 24.739 ( 0.000 0.000 -4.998) 4.998 25.426 ( 0.000 0.000 4.110) 4.110 25.784 ( 0.000 0.000 -11.918) 11.918 25.910 ( 0.000 0.000 0.414) 0.414 26.398 ( 0.000 0.000 -2.133) 2.133 26.778 ( 0.000 0.000 -3.288) 3.288 ======================= Grid point 36 (14/60) ======================= q-point: ( 0.20 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( 15.790 0.000 20.113) 25.571 0.933 ( 21.810 0.000 21.471) 30.605 1.416 ( 35.848 0.000 30.881) 47.315 1.522 ( -6.041 0.000 3.470) 6.967 1.798 ( 0.721 0.000 0.611) 0.945 1.863 ( -0.999 0.000 0.002) 0.999 2.121 ( 22.128 0.000 1.095) 22.155 2.256 ( -11.575 0.000 -0.750) 11.599 2.768 ( 11.138 0.000 0.987) 11.181 2.967 ( -5.546 0.000 2.462) 6.068 3.428 ( 16.265 0.000 -15.053) 22.162 3.870 ( 4.699 0.000 -3.546) 5.887 3.897 ( -21.603 0.000 -0.637) 21.612 4.106 ( 4.945 0.000 4.014) 6.369 4.107 ( -15.791 0.000 2.369) 15.968 4.256 ( -9.421 0.000 -4.702) 10.529 4.351 ( -15.068 0.000 -4.452) 15.712 4.405 ( -3.182 0.000 -3.973) 5.091 4.641 ( 7.315 0.000 -14.453) 16.199 5.039 ( -6.198 0.000 2.820) 6.810 5.076 ( 7.532 0.000 -0.334) 7.540 5.163 ( 7.929 0.000 1.942) 8.163 5.219 ( 1.921 0.000 -3.081) 3.631 5.232 ( -0.857 0.000 -3.872) 3.966 5.288 ( 7.967 0.000 5.555) 9.713 5.439 ( -2.079 0.000 -4.832) 5.261 5.530 ( -3.571 0.000 5.440) 6.507 5.750 ( -2.168 0.000 1.206) 2.481 6.119 ( 1.746 0.000 1.951) 2.618 6.131 ( 0.107 0.000 1.271) 1.275 6.329 ( 5.245 0.000 4.199) 6.719 6.412 ( 3.444 0.000 -0.663) 3.507 6.500 ( 2.813 0.000 -5.089) 5.815 6.759 ( 6.581 0.000 5.860) 8.812 6.828 ( 2.543 0.000 11.155) 11.441 6.828 ( -9.658 0.000 -0.843) 9.695 6.979 ( -1.648 0.000 -3.915) 4.248 7.027 ( 6.445 0.000 -1.668) 6.657 7.227 ( 3.843 0.000 -5.260) 6.514 7.380 ( 4.247 0.000 -2.930) 5.159 7.388 ( -2.581 0.000 2.978) 3.941 7.449 ( -8.028 0.000 2.186) 8.320 7.643 ( -9.799 0.000 -1.426) 9.902 7.799 ( -4.605 0.000 -6.826) 8.234 8.081 ( 2.850 0.000 3.685) 4.659 8.287 ( 4.042 0.000 1.121) 4.194 8.348 ( 30.612 0.000 -15.765) 34.433 8.610 ( 12.495 0.000 1.119) 12.545 8.734 ( 3.072 0.000 -1.283) 3.330 9.115 ( -0.346 0.000 -2.814) 2.835 9.139 ( -6.861 0.000 -3.936) 7.910 9.227 ( 1.938 0.000 -2.100) 2.858 9.371 ( -1.574 0.000 -4.374) 4.648 9.477 ( -9.489 0.000 -1.291) 9.577 9.871 ( 5.398 0.000 -15.488) 16.402 9.923 ( 7.354 0.000 -4.541) 8.643 10.178 ( 2.841 0.000 1.005) 3.014 10.355 ( 4.419 0.000 1.499) 4.666 10.433 ( 2.742 0.000 -2.839) 3.947 10.551 ( 0.404 0.000 2.471) 2.503 10.607 ( 12.192 0.000 -0.082) 12.192 10.956 ( 2.529 0.000 -3.303) 4.160 11.169 ( -4.812 0.000 0.944) 4.904 11.211 ( -5.228 0.000 -2.672) 5.871 11.249 ( 7.070 0.000 1.284) 7.186 11.841 ( -11.077 0.000 6.396) 12.790 11.890 ( 7.534 0.000 8.112) 11.071 11.927 ( 0.600 0.000 -7.722) 7.745 12.043 ( -4.904 0.000 4.408) 6.595 12.372 ( 2.713 0.000 0.456) 2.751 12.544 ( -4.487 0.000 -8.416) 9.537 12.669 ( -10.453 0.000 -6.194) 12.150 13.161 ( 4.097 0.000 -2.472) 4.785 13.357 ( 9.455 0.000 -2.265) 9.722 13.540 ( 7.955 0.000 3.122) 8.546 13.605 ( -7.387 0.000 -4.159) 8.478 13.642 ( 4.870 0.000 -8.287) 9.612 13.851 ( -4.659 0.000 8.482) 9.677 13.920 ( -2.831 0.000 4.771) 5.548 14.058 ( -8.834 0.000 11.208) 14.271 14.402 ( 0.039 0.000 -0.102) 0.109 14.568 ( -2.067 0.000 6.816) 7.123 14.769 ( 1.497 0.000 4.463) 4.708 15.015 ( -12.084 0.000 11.531) 16.703 15.150 ( 7.239 0.000 11.453) 13.549 15.942 ( -0.943 0.000 0.674) 1.159 16.038 ( -9.126 0.000 5.139) 10.473 16.278 ( -5.544 0.000 -0.438) 5.561 16.721 ( 0.547 0.000 0.025) 0.548 16.851 ( -1.528 0.000 -1.169) 1.923 17.479 ( 80.572 0.000 -58.698) 99.686 18.752 ( -0.307 0.000 -6.760) 6.767 18.762 ( -0.754 0.000 -6.401) 6.446 19.133 ( -0.562 0.000 -3.886) 3.926 19.213 ( 0.245 0.000 -1.677) 1.695 19.222 ( -7.068 0.000 -31.643) 32.423 19.385 ( 2.332 0.000 2.029) 3.091 19.442 ( 2.270 0.000 4.486) 5.027 19.747 ( 1.848 0.000 -15.225) 15.337 19.906 ( -2.026 0.000 -8.828) 9.057 22.018 ( -0.346 0.000 35.207) 35.209 22.713 ( -47.953 0.000 48.540) 68.232 25.399 ( 28.748 0.000 -32.103) 43.094 25.459 ( 3.704 0.000 3.813) 5.316 25.784 ( -0.226 0.000 -12.696) 12.698 25.841 ( -6.776 0.000 0.877) 6.833 26.458 ( 5.710 0.000 -2.352) 6.176 26.754 ( -2.646 0.000 -3.233) 4.178 ======================= Grid point 37 (15/60) ======================= q-point: ( 0.40 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 17.085 0.000 11.327) 20.499 1.334 ( 22.776 0.000 13.537) 26.495 1.355 ( -12.363 0.000 6.147) 13.807 1.708 ( -14.343 0.000 7.823) 16.338 1.816 ( 1.246 0.000 0.425) 1.316 1.840 ( -1.392 0.000 0.185) 1.405 2.439 ( 39.533 0.000 10.998) 41.034 2.535 ( 19.949 0.000 3.236) 20.209 2.810 ( -11.234 0.000 3.268) 11.700 3.109 ( 26.216 0.000 -0.782) 26.228 3.196 ( -38.399 0.000 2.020) 38.452 3.653 ( -30.754 0.000 -0.249) 30.755 3.834 ( 13.699 0.000 -9.604) 16.730 3.987 ( 7.690 0.000 -2.954) 8.238 4.068 ( -10.934 0.000 -10.762) 15.342 4.142 ( -9.433 0.000 -2.294) 9.708 4.215 ( 5.541 0.000 6.432) 8.490 4.322 ( -5.759 0.000 4.299) 7.187 4.779 ( 7.522 0.000 -10.430) 12.859 4.910 ( -7.197 0.000 -2.729) 7.697 5.187 ( 4.678 0.000 -1.992) 5.085 5.236 ( -0.671 0.000 -2.703) 2.785 5.239 ( 1.874 0.000 -5.669) 5.971 5.293 ( -3.489 0.000 -5.414) 6.441 5.316 ( 8.060 0.000 2.566) 8.459 5.443 ( -5.979 0.000 3.925) 7.152 5.549 ( 8.778 0.000 3.135) 9.321 5.680 ( -5.593 0.000 2.839) 6.272 6.134 ( 0.716 0.000 0.208) 0.746 6.141 ( 0.087 0.000 0.071) 0.112 6.456 ( 8.554 0.000 2.521) 8.918 6.485 ( 3.963 0.000 -2.970) 4.953 6.529 ( -0.381 0.000 -4.189) 4.207 6.634 ( -10.929 0.000 1.443) 11.024 6.808 ( 3.042 0.000 6.704) 7.362 6.870 ( -2.449 0.000 6.768) 7.198 7.037 ( 10.020 0.000 2.976) 10.452 7.193 ( 11.400 0.000 -0.910) 11.437 7.256 ( -12.592 0.000 4.431) 13.349 7.293 ( 3.295 0.000 -3.706) 4.959 7.340 ( -2.768 0.000 -1.143) 2.994 7.430 ( -12.706 0.000 0.131) 12.707 7.491 ( 7.634 0.000 -3.658) 8.465 7.648 ( -9.495 0.000 -4.133) 10.356 8.149 ( 4.761 0.000 3.987) 6.210 8.237 ( -4.658 0.000 4.067) 6.184 8.724 ( 11.330 0.000 4.092) 12.046 8.851 ( 1.832 0.000 -4.475) 4.836 8.858 ( 13.391 0.000 -0.169) 13.392 9.048 ( 3.627 0.000 -7.751) 8.558 9.052 ( -7.332 0.000 -1.131) 7.419 9.260 ( -13.718 0.000 -4.902) 14.568 9.276 ( 3.201 0.000 -4.127) 5.223 9.331 ( -2.764 0.000 -4.346) 5.150 9.917 ( 3.557 0.000 -13.660) 14.116 9.986 ( -2.526 0.000 -12.404) 12.659 10.259 ( 6.667 0.000 4.646) 8.126 10.376 ( -4.746 0.000 3.342) 5.805 10.478 ( 5.338 0.000 1.087) 5.447 10.554 ( -1.682 0.000 1.703) 2.393 10.832 ( 11.779 0.000 0.707) 11.801 11.008 ( 3.290 0.000 -2.183) 3.948 11.047 ( -11.711 0.000 1.480) 11.804 11.080 ( -4.657 0.000 0.105) 4.658 11.462 ( 15.778 0.000 2.487) 15.972 11.762 ( -15.628 0.000 5.732) 16.646 11.811 ( 5.340 0.000 -5.952) 7.996 11.912 ( -3.735 0.000 -7.047) 7.975 12.187 ( 14.422 0.000 1.514) 14.501 12.397 ( 1.726 0.000 -4.481) 4.802 12.446 ( -13.714 0.000 -0.448) 13.722 12.455 ( -4.527 0.000 -8.489) 9.620 13.261 ( 6.811 0.000 1.708) 7.022 13.403 ( -8.072 0.000 5.682) 9.871 13.541 ( 6.099 0.000 -6.632) 9.010 13.649 ( -4.531 0.000 -4.757) 6.570 13.697 ( 8.739 0.000 3.298) 9.341 13.837 ( -6.344 0.000 4.258) 7.641 13.883 ( 6.527 0.000 4.899) 8.161 13.979 ( -3.588 0.000 4.991) 6.147 14.422 ( 2.955 0.000 2.943) 4.171 14.502 ( -4.917 0.000 6.655) 8.275 14.809 ( 2.862 0.000 3.761) 4.726 14.878 ( -5.102 0.000 5.252) 7.322 15.357 ( 15.681 0.000 9.108) 18.134 15.692 ( -19.892 0.000 6.154) 20.822 16.047 ( 5.032 0.000 1.539) 5.262 16.157 ( -6.874 0.000 0.566) 6.898 16.757 ( 2.957 0.000 -0.326) 2.975 16.811 ( -2.781 0.000 -0.802) 2.895 18.495 ( 37.778 0.000 -50.411) 62.995 18.747 ( -0.120 0.000 -6.859) 6.860 18.750 ( -0.443 0.000 -6.657) 6.672 18.992 ( -19.205 0.000 -37.699) 42.309 19.147 ( 1.817 0.000 -3.428) 3.880 19.187 ( -2.303 0.000 -2.145) 3.147 19.441 ( 2.841 0.000 2.625) 3.868 19.467 ( 0.110 0.000 3.574) 3.576 19.794 ( 3.227 0.000 -12.317) 12.733 19.856 ( -3.338 0.000 -9.986) 10.529 22.032 ( 2.873 0.000 38.063) 38.171 22.177 ( -15.445 0.000 45.257) 47.820 25.556 ( 6.887 0.000 3.001) 7.513 25.688 ( 7.760 0.000 -22.227) 23.542 25.698 ( -8.411 0.000 1.903) 8.623 25.766 ( -2.061 0.000 -15.614) 15.749 26.575 ( 6.665 0.000 -2.741) 7.206 26.684 ( -5.144 0.000 -3.054) 5.982 ======================= Grid point 40 (16/60) ======================= q-point: ( 0.00 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( 0.000 16.595 21.181) 26.908 0.976 ( 0.000 21.364 26.557) 34.083 1.565 ( 0.000 49.094 24.653) 54.936 1.867 ( 0.000 -2.340 0.764) 2.462 2.037 ( 0.000 39.499 0.771) 39.507 2.256 ( 0.000 30.243 -1.315) 30.272 2.322 ( 0.000 46.801 0.722) 46.807 2.453 ( 0.000 9.691 -2.023) 9.900 2.661 ( 0.000 -0.741 1.466) 1.643 2.944 ( 0.000 -6.847 3.359) 7.626 3.162 ( 0.000 4.569 -2.622) 5.268 4.024 ( 0.000 -0.034 3.018) 3.018 4.049 ( 0.000 -0.734 -15.772) 15.789 4.125 ( 0.000 -0.952 -5.192) 5.279 4.256 ( 0.000 3.994 -6.753) 7.846 4.432 ( 0.000 -0.891 -14.169) 14.197 4.486 ( 0.000 6.048 4.412) 7.486 4.565 ( 0.000 0.921 -11.738) 11.775 4.656 ( 0.000 7.778 -4.530) 9.001 4.916 ( 0.000 -5.151 -3.270) 6.101 4.981 ( 0.000 -1.319 2.539) 2.861 5.159 ( 0.000 1.015 3.589) 3.730 5.160 ( 0.000 1.812 1.990) 2.691 5.292 ( 0.000 -0.087 -0.929) 0.933 5.351 ( 0.000 6.157 -5.056) 7.967 5.412 ( 0.000 0.089 1.861) 1.863 5.524 ( 0.000 -1.582 5.139) 5.377 5.714 ( 0.000 -4.408 2.498) 5.067 6.077 ( 0.000 1.909 -0.341) 1.940 6.150 ( 0.000 1.963 1.402) 2.412 6.351 ( 0.000 -3.307 4.342) 5.458 6.482 ( 0.000 2.078 -4.916) 5.337 6.519 ( 0.000 6.838 4.729) 8.314 6.689 ( 0.000 5.018 2.777) 5.735 6.811 ( 0.000 -2.838 10.062) 10.454 6.916 ( 0.000 -1.917 -2.434) 3.098 6.927 ( 0.000 -4.643 -3.497) 5.812 7.004 ( 0.000 -2.150 -1.352) 2.540 7.280 ( 0.000 7.368 -4.015) 8.391 7.413 ( 0.000 4.043 5.220) 6.603 7.451 ( 0.000 -5.689 -0.789) 5.743 7.481 ( 0.000 8.437 -3.909) 9.299 7.663 ( 0.000 1.953 -5.026) 5.392 7.824 ( 0.000 -7.990 -2.875) 8.491 8.111 ( 0.000 11.436 -4.671) 12.353 8.147 ( 0.000 2.274 4.438) 4.987 8.227 ( 0.000 -3.473 -0.975) 3.607 8.337 ( 0.000 -10.662 2.259) 10.899 8.699 ( 0.000 -1.610 11.737) 11.847 9.075 ( 0.000 -8.697 -5.810) 10.459 9.127 ( 0.000 -6.856 -5.869) 9.025 9.200 ( 0.000 -13.747 -1.859) 13.872 9.566 ( 0.000 17.240 -31.111) 35.569 9.788 ( 0.000 15.657 -3.639) 16.074 9.855 ( 0.000 13.243 2.106) 13.409 9.871 ( 0.000 -2.835 -9.793) 10.195 10.162 ( 0.000 3.078 2.600) 4.029 10.319 ( 0.000 -3.372 -1.639) 3.750 10.335 ( 0.000 2.911 4.544) 5.396 10.494 ( 0.000 -5.588 -0.305) 5.597 10.833 ( 0.000 31.440 -6.555) 32.116 11.123 ( 0.000 15.542 -8.937) 17.928 11.177 ( 0.000 1.165 -1.188) 1.664 11.256 ( 0.000 2.878 1.404) 3.202 11.367 ( 0.000 10.378 -2.258) 10.621 11.762 ( 0.000 -2.702 0.016) 2.702 11.956 ( 0.000 6.330 0.049) 6.330 12.082 ( 0.000 -5.970 2.139) 6.341 12.121 ( 0.000 0.263 8.824) 8.828 12.193 ( 0.000 -2.543 7.649) 8.060 12.554 ( 0.000 -2.619 -7.898) 8.321 12.730 ( 0.000 -4.400 -3.215) 5.450 13.097 ( 0.000 -3.058 -4.983) 5.847 13.153 ( 0.000 -6.926 -2.876) 7.499 13.448 ( 0.000 -4.095 -5.057) 6.507 13.613 ( 0.000 -6.255 -6.245) 8.839 13.616 ( 0.000 6.392 -0.444) 6.407 13.862 ( 0.000 -3.592 1.377) 3.847 13.973 ( 0.000 0.484 7.270) 7.286 14.243 ( 0.000 -24.468 29.494) 38.322 14.274 ( 0.000 -3.657 6.467) 7.429 14.355 ( 0.000 -16.819 6.305) 17.961 14.542 ( 0.000 -5.238 6.291) 8.186 14.725 ( 0.000 -3.209 5.149) 6.067 15.289 ( 0.000 3.414 10.398) 10.945 15.884 ( 0.000 -3.229 10.534) 11.018 16.202 ( 0.000 13.607 1.353) 13.674 16.313 ( 0.000 26.481 4.426) 26.848 16.477 ( 0.000 8.924 2.695) 9.322 16.924 ( 0.000 21.130 0.979) 21.153 18.301 ( 0.000 58.260 -52.520) 78.438 18.751 ( 0.000 -0.020 -8.207) 8.207 18.812 ( 0.000 4.230 -6.446) 7.710 19.128 ( 0.000 -3.390 -2.242) 4.064 19.183 ( 0.000 1.781 -2.928) 3.427 19.322 ( 0.000 1.489 -22.832) 22.881 19.385 ( 0.000 0.942 0.160) 0.956 19.393 ( 0.000 -1.255 4.723) 4.887 19.715 ( 0.000 -2.320 -17.369) 17.524 19.887 ( 0.000 -3.829 -8.266) 9.109 22.218 ( 0.000 20.082 30.990) 36.927 24.137 ( 0.000 34.631 -26.041) 43.329 24.803 ( 0.000 6.834 -4.943) 8.434 25.351 ( 0.000 -8.296 4.498) 9.437 25.775 ( 0.000 -1.048 -10.473) 10.525 25.888 ( 0.000 -1.835 -0.589) 1.927 26.337 ( 0.000 -6.712 -2.594) 7.196 26.759 ( 0.000 -2.795 -3.202) 4.250 ======================= Grid point 41 (17/60) ======================= q-point: ( 0.20 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( 17.835 14.850 16.853) 28.681 1.220 ( 21.753 23.430 14.792) 35.227 1.740 ( 19.518 37.494 21.802) 47.562 1.957 ( -7.955 37.034 1.937) 37.928 2.093 ( 21.570 -2.311 1.523) 21.747 2.253 ( -2.172 20.357 -1.683) 20.542 2.328 ( 0.456 45.415 0.700) 45.423 2.363 ( -4.616 25.173 1.762) 25.653 2.760 ( 11.038 -0.726 0.898) 11.099 2.903 ( -4.534 -6.060 3.276) 8.247 3.357 ( 16.385 -0.373 -7.137) 17.876 3.920 ( -20.890 2.710 -0.316) 21.067 3.995 ( -0.714 2.216 -6.117) 6.545 4.080 ( -5.385 -1.436 -0.460) 5.592 4.123 ( -9.674 -0.445 -0.058) 9.685 4.255 ( -10.786 1.038 -8.608) 13.839 4.432 ( -12.834 5.941 -6.679) 15.640 4.460 ( -4.435 4.157 -0.139) 6.080 4.690 ( 5.486 5.178 -13.257) 15.253 4.947 ( 4.597 -5.304 -1.871) 7.264 5.067 ( 4.065 -3.833 1.668) 5.831 5.102 ( -2.025 -2.041 0.905) 3.014 5.228 ( 1.885 1.961 -0.711) 2.812 5.290 ( -1.400 -3.878 -2.957) 5.074 5.372 ( -0.824 3.277 -1.832) 3.843 5.441 ( 8.578 9.539 2.306) 13.035 5.548 ( 0.512 -0.972 1.992) 2.275 5.714 ( -0.643 -2.537 2.459) 3.591 6.125 ( 2.446 0.729 1.683) 3.057 6.152 ( 0.504 2.261 1.352) 2.682 6.389 ( 3.051 -1.476 2.306) 4.100 6.442 ( 0.007 5.509 1.846) 5.810 6.527 ( 1.228 3.899 -2.439) 4.760 6.738 ( 0.856 -1.102 4.219) 4.444 6.789 ( 1.564 -3.137 7.473) 8.254 6.872 ( -2.143 1.003 0.815) 2.503 6.968 ( 3.859 -5.372 -0.679) 6.649 7.036 ( 0.466 3.692 -3.516) 5.120 7.275 ( 1.138 2.448 -3.117) 4.123 7.368 ( -3.789 0.805 3.762) 5.400 7.399 ( -5.201 -3.437 0.239) 6.239 7.475 ( 0.571 8.575 -2.084) 8.843 7.660 ( -6.793 1.975 0.352) 7.083 7.749 ( -4.443 -5.206 -3.838) 7.847 8.143 ( 0.565 5.021 3.202) 5.982 8.231 ( 4.760 -7.424 -2.179) 9.084 8.281 ( 10.141 -6.611 -1.652) 12.218 8.466 ( 10.265 -11.005 2.031) 15.185 8.704 ( 1.222 -2.403 8.655) 9.065 9.009 ( -9.083 -9.282 -0.673) 13.005 9.100 ( 2.608 -8.179 -6.762) 10.929 9.245 ( 1.296 -10.832 -3.723) 11.527 9.496 ( -3.773 16.920 -15.691) 23.382 9.709 ( -7.877 16.303 -3.560) 18.453 9.862 ( 2.388 -0.467 -11.401) 11.657 10.017 ( 7.511 5.922 -7.575) 12.201 10.221 ( 5.355 6.241 2.933) 8.731 10.366 ( 3.167 0.926 2.427) 4.096 10.379 ( 4.942 -3.854 -1.315) 6.404 10.484 ( -0.498 -5.946 2.470) 6.458 10.884 ( 4.134 24.961 -5.642) 25.922 11.138 ( 0.976 14.866 -7.865) 16.847 11.189 ( -0.358 2.107 -1.610) 2.676 11.204 ( -3.945 3.218 1.572) 5.329 11.400 ( 4.590 12.185 -2.484) 13.256 11.804 ( -8.394 -4.552 0.474) 9.561 11.840 ( 0.992 -1.530 2.899) 3.425 11.970 ( -3.155 2.722 6.976) 8.126 12.102 ( 1.487 5.143 2.674) 5.984 12.308 ( 3.536 -5.523 -0.173) 6.561 12.513 ( -4.592 -2.847 -7.484) 9.230 12.669 ( -6.991 -0.375 -3.665) 7.902 13.113 ( 3.672 -4.301 -3.515) 6.659 13.271 ( 9.243 -7.941 -2.584) 12.456 13.515 ( 6.079 -3.594 -1.223) 7.167 13.540 ( -7.449 -5.877 -3.714) 10.189 13.626 ( -1.000 -2.335 -1.171) 2.797 13.841 ( 0.171 -0.400 0.651) 0.783 13.919 ( -4.530 -0.701 12.829) 13.624 14.063 ( -1.958 0.977 9.471) 9.721 14.316 ( -1.249 -7.395 0.220) 7.503 14.433 ( -0.683 -16.266 10.460) 19.351 14.652 ( 7.637 -12.947 7.651) 16.867 14.731 ( 0.620 -4.469 5.126) 6.829 15.294 ( 3.136 7.244 10.017) 12.753 16.085 ( -13.297 7.664 3.268) 15.691 16.179 ( 20.191 -18.567 5.242) 27.926 16.320 ( 2.517 30.999 2.206) 31.179 16.477 ( 0.896 8.313 4.274) 9.390 16.874 ( -4.846 18.227 1.315) 18.906 18.456 ( 14.669 41.336 -47.549) 64.689 18.746 ( -0.536 -0.005 -8.648) 8.664 18.817 ( 1.159 6.763 -8.016) 10.551 19.106 ( -1.330 -1.478 -4.379) 4.809 19.197 ( 0.172 -0.325 -1.794) 1.831 19.303 ( -2.505 3.512 -23.753) 24.142 19.395 ( 2.160 1.046 0.900) 2.563 19.428 ( 2.256 -1.086 3.311) 4.151 19.733 ( 1.946 -2.001 -16.328) 16.564 19.874 ( -1.537 -3.378 -8.781) 9.533 22.227 ( 1.418 21.678 31.069) 37.911 23.255 ( -53.048 44.803 16.696) 71.415 25.317 ( 16.611 -6.297 -14.101) 22.681 25.425 ( 12.783 -4.133 -5.049) 14.352 25.751 ( -3.363 -3.563 -8.021) 9.400 25.835 ( -4.027 -0.130 -3.968) 5.655 26.402 ( 6.272 -5.966 -2.518) 9.016 26.731 ( -3.073 -3.059 -3.133) 5.349 ======================= Grid point 42 (18/60) ======================= q-point: ( 0.40 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( 20.878 13.325 10.071) 26.737 1.530 ( 12.755 26.957 9.694) 31.359 1.772 ( -11.653 35.040 3.602) 37.102 1.828 ( -14.536 16.912 5.798) 23.042 2.324 ( 1.604 43.572 1.512) 43.627 2.332 ( 0.230 42.945 1.020) 42.958 2.490 ( 23.343 -0.237 4.518) 23.778 2.581 ( 32.834 11.973 7.694) 35.786 2.769 ( -9.758 -4.063 3.741) 11.213 3.096 ( 26.008 -1.184 -0.659) 26.043 3.274 ( -34.266 7.997 0.443) 35.189 3.640 ( -30.446 -1.301 -0.251) 30.474 3.774 ( 14.076 -1.617 -4.124) 14.757 4.019 ( -6.347 -1.055 -4.320) 7.750 4.063 ( 0.460 1.575 -8.547) 8.703 4.158 ( -3.139 -1.047 -0.693) 3.380 4.268 ( -1.722 5.128 -1.081) 5.517 4.348 ( -6.927 2.349 3.741) 8.215 4.811 ( 6.983 3.286 -10.493) 13.026 4.928 ( -5.585 1.424 -3.959) 6.992 5.114 ( 3.918 -4.811 -2.258) 6.602 5.142 ( 1.531 -6.362 -0.833) 6.596 5.239 ( -0.520 -1.284 -3.447) 3.715 5.252 ( -1.905 -4.558 -0.479) 4.964 5.412 ( 4.633 5.458 -2.719) 7.658 5.496 ( -3.594 4.438 -0.723) 5.757 5.601 ( 6.061 3.432 3.073) 7.613 5.683 ( -2.973 0.981 3.292) 4.543 6.145 ( 0.948 1.307 1.237) 2.033 6.160 ( -0.280 1.954 1.669) 2.586 6.430 ( 2.682 -0.540 -1.053) 2.932 6.472 ( -0.773 -2.608 -1.771) 3.246 6.580 ( 5.238 5.365 0.202) 7.501 6.681 ( -5.254 2.239 0.038) 5.711 6.855 ( 1.466 1.831 7.712) 8.061 6.866 ( 2.133 -0.784 8.544) 8.841 7.027 ( 3.605 1.261 -2.387) 4.504 7.094 ( 4.151 -6.744 -1.490) 8.058 7.231 ( -4.658 -0.414 3.163) 5.645 7.303 ( -5.411 -2.376 -0.560) 5.936 7.354 ( 3.655 0.296 -1.511) 3.966 7.461 ( -7.037 1.750 -0.853) 7.301 7.558 ( 2.692 7.578 0.255) 8.046 7.653 ( -6.090 1.819 -1.525) 6.536 8.177 ( 2.768 2.353 2.664) 4.505 8.227 ( -2.321 -1.819 2.057) 3.596 8.521 ( 12.311 -16.689 -1.228) 20.774 8.618 ( 4.742 -16.538 0.441) 17.210 8.724 ( 0.672 -7.260 4.250) 8.440 8.831 ( -9.772 -10.076 2.754) 14.304 9.164 ( 4.108 -7.785 -6.163) 10.746 9.230 ( -2.658 -8.945 -4.933) 10.555 9.477 ( 1.998 17.792 -7.767) 19.516 9.565 ( -7.201 18.034 -4.230) 19.874 9.934 ( 5.463 1.589 -11.111) 12.483 10.034 ( -4.263 2.918 -10.304) 11.527 10.326 ( 5.582 7.579 3.647) 10.095 10.399 ( -1.609 2.355 2.660) 3.900 10.458 ( 4.007 -2.482 1.049) 4.828 10.492 ( 0.581 -6.652 2.489) 7.126 10.961 ( 5.022 14.107 -1.190) 15.021 11.079 ( -7.516 6.795 1.850) 10.300 11.152 ( 1.029 12.317 -3.165) 12.758 11.185 ( -1.922 7.633 -2.107) 8.148 11.541 ( 11.286 8.507 3.353) 14.525 11.764 ( 4.639 -4.355 -6.715) 9.251 11.786 ( -13.456 2.300 7.104) 15.389 11.861 ( -2.881 -4.091 -5.788) 7.651 12.252 ( 11.589 4.600 2.834) 12.786 12.358 ( 3.644 -2.486 -5.643) 7.162 12.414 ( -5.953 -3.122 -6.875) 9.615 12.497 ( -10.973 3.856 -1.330) 11.707 13.212 ( 6.929 -4.288 0.360) 8.156 13.359 ( -8.779 -3.679 4.318) 10.453 13.438 ( 7.394 -9.398 -4.827) 12.895 13.560 ( -5.463 -7.646 -1.156) 9.468 13.663 ( 8.270 -4.299 -1.835) 9.500 13.795 ( -6.001 -4.536 0.508) 7.540 13.955 ( 6.365 6.870 6.821) 11.586 14.041 ( -2.458 5.712 6.475) 8.978 14.311 ( 1.677 -10.606 2.770) 11.089 14.376 ( -4.501 -12.771 7.459) 15.459 14.727 ( 1.684 -8.410 4.457) 9.666 14.740 ( 0.045 -7.299 4.817) 8.746 15.446 ( 13.784 7.436 8.568) 17.853 15.764 ( -19.862 6.603 6.037) 21.784 16.332 ( 3.090 16.429 2.653) 16.926 16.376 ( -0.990 15.150 0.190) 15.183 16.607 ( 10.991 -3.536 4.246) 12.302 16.767 ( -7.022 7.970 2.069) 10.822 18.680 ( 6.513 7.301 -22.839) 24.847 18.732 ( -1.177 0.283 -10.591) 10.660 18.908 ( 10.132 16.191 -21.219) 28.549 19.069 ( -4.561 2.768 -12.033) 13.163 19.190 ( -0.125 1.816 -5.572) 5.862 19.228 ( -4.639 6.950 -19.352) 21.079 19.440 ( 2.075 -0.026 1.437) 2.525 19.455 ( 0.474 -1.034 2.556) 2.798 19.779 ( 2.951 -1.834 -13.271) 13.718 19.833 ( -2.830 -2.419 -10.387) 11.034 22.297 ( 7.568 27.264 31.527) 42.362 22.564 ( -24.325 37.578 30.755) 54.311 25.465 ( 7.191 -8.856 0.567) 11.421 25.590 ( -3.773 -7.658 -3.273) 9.143 25.704 ( 3.897 -0.828 -13.781) 14.345 25.779 ( -3.080 0.845 -11.593) 12.025 26.530 ( 7.315 -4.802 -2.753) 9.173 26.650 ( -5.722 -3.787 -3.007) 7.492 ======================= Grid point 45 (19/60) ======================= q-point: ( 0.00 0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( 0.000 17.386 12.406) 21.358 1.399 ( 0.000 23.437 21.921) 32.091 1.786 ( 0.000 -5.372 1.984) 5.727 2.423 ( 0.000 15.165 -0.188) 15.166 2.551 ( 0.000 -3.531 2.903) 4.571 2.637 ( 0.000 -1.579 1.276) 2.030 2.656 ( 0.000 42.449 2.933) 42.550 3.003 ( 0.000 32.302 4.747) 32.649 3.004 ( 0.000 26.911 1.395) 26.947 3.192 ( 0.000 23.111 -1.666) 23.171 3.385 ( 0.000 33.826 -0.627) 33.832 3.936 ( 0.000 -8.733 -10.921) 13.983 4.023 ( 0.000 0.214 3.747) 3.753 4.124 ( 0.000 1.128 -1.271) 1.699 4.317 ( 0.000 2.300 -10.606) 10.853 4.409 ( 0.000 -1.076 -6.390) 6.480 4.570 ( 0.000 2.657 3.541) 4.427 4.609 ( 0.000 3.660 -16.364) 16.768 4.832 ( 0.000 -4.518 -10.434) 11.371 4.835 ( 0.000 6.800 -4.137) 7.960 4.920 ( 0.000 -0.698 4.159) 4.217 5.057 ( 0.000 -14.522 -0.544) 14.532 5.161 ( 0.000 -6.267 1.015) 6.348 5.263 ( 0.000 6.399 -6.647) 9.227 5.390 ( 0.000 1.947 2.479) 3.152 5.455 ( 0.000 -7.605 3.537) 8.387 5.572 ( 0.000 11.075 3.356) 11.572 5.770 ( 0.000 9.699 2.522) 10.022 6.123 ( 0.000 1.447 -0.586) 1.561 6.196 ( 0.000 2.408 -0.523) 2.464 6.316 ( 0.000 2.325 7.533) 7.884 6.457 ( 0.000 -3.541 0.062) 3.542 6.608 ( 0.000 -2.150 5.412) 5.824 6.681 ( 0.000 -6.092 1.260) 6.221 6.773 ( 0.000 -7.182 -1.961) 7.445 6.811 ( 0.000 2.071 8.131) 8.391 6.880 ( 0.000 -4.277 3.915) 5.798 6.967 ( 0.000 1.256 1.374) 1.861 7.347 ( 0.000 -4.789 -2.860) 5.578 7.417 ( 0.000 -4.161 -2.385) 4.797 7.444 ( 0.000 10.768 -4.569) 11.697 7.637 ( 0.000 -3.232 -2.768) 4.255 7.697 ( 0.000 4.757 -0.270) 4.765 7.790 ( 0.000 13.957 2.322) 14.149 8.057 ( 0.000 -9.582 4.784) 10.710 8.092 ( 0.000 -3.755 -0.115) 3.757 8.193 ( 0.000 -2.422 -0.198) 2.430 8.284 ( 0.000 3.607 2.573) 4.431 8.612 ( 0.000 -9.273 8.920) 12.867 8.838 ( 0.000 -15.598 -2.553) 15.805 8.918 ( 0.000 -13.692 1.643) 13.790 8.930 ( 0.000 -14.131 -1.349) 14.195 9.661 ( 0.000 2.220 -19.282) 19.409 9.805 ( 0.000 -4.865 -5.255) 7.162 9.903 ( 0.000 -3.365 -5.687) 6.608 10.057 ( 0.000 3.469 -5.115) 6.180 10.251 ( 0.000 2.962 3.099) 4.287 10.274 ( 0.000 -1.911 5.754) 6.063 10.458 ( 0.000 5.119 0.455) 5.140 10.517 ( 0.000 14.864 1.460) 14.935 11.241 ( 0.000 3.518 2.517) 4.325 11.321 ( 0.000 7.604 -12.675) 14.781 11.351 ( 0.000 8.492 -0.783) 8.528 11.381 ( 0.000 21.018 -2.442) 21.160 11.625 ( 0.000 16.054 -2.604) 16.263 11.670 ( 0.000 -7.218 -4.017) 8.260 11.997 ( 0.000 -1.810 6.854) 7.089 12.088 ( 0.000 -3.613 5.047) 6.208 12.122 ( 0.000 9.075 -1.213) 9.156 12.161 ( 0.000 -1.950 4.894) 5.268 12.509 ( 0.000 -1.566 -1.074) 1.899 12.648 ( 0.000 -3.701 4.849) 6.100 12.990 ( 0.000 -8.793 -7.440) 11.518 13.051 ( 0.000 -0.501 -5.923) 5.944 13.311 ( 0.000 -9.185 -10.421) 13.891 13.467 ( 0.000 -8.684 -8.064) 11.851 13.690 ( 0.000 -2.446 4.853) 5.435 13.846 ( 0.000 -7.893 22.454) 23.800 13.865 ( 0.000 6.915 -0.924) 6.977 13.973 ( 0.000 -6.746 3.853) 7.769 14.183 ( 0.000 -5.517 7.007) 8.918 14.276 ( 0.000 0.689 1.047) 1.253 14.441 ( 0.000 -4.988 5.944) 7.760 14.642 ( 0.000 -5.229 4.884) 7.155 15.395 ( 0.000 6.922 10.372) 12.470 15.800 ( 0.000 -5.473 10.429) 11.778 16.373 ( 0.000 7.317 2.158) 7.629 16.597 ( 0.000 2.574 2.657) 3.699 17.066 ( 0.000 45.501 2.852) 45.590 17.484 ( 0.000 34.680 2.688) 34.784 18.728 ( 0.000 -3.606 -6.366) 7.317 18.840 ( 0.000 -0.548 -14.636) 14.646 18.922 ( 0.000 7.051 -7.064) 9.981 19.127 ( 0.000 8.968 -9.956) 13.399 19.230 ( 0.000 2.963 -3.307) 4.440 19.300 ( 0.000 -3.050 -13.824) 14.157 19.387 ( 0.000 0.679 -0.291) 0.738 19.412 ( 0.000 1.961 -2.822) 3.437 19.635 ( 0.000 -5.482 -16.054) 16.964 19.782 ( 0.000 -7.076 -7.184) 10.084 22.798 ( 0.000 40.280 22.408) 46.094 24.689 ( 0.000 24.431 -19.630) 31.340 24.977 ( 0.000 3.728 -3.299) 4.978 25.106 ( 0.000 -10.759 4.690) 11.736 25.701 ( 0.000 -7.765 -3.460) 8.501 25.912 ( 0.000 6.157 -7.241) 9.504 26.136 ( 0.000 -14.355 -3.048) 14.675 26.648 ( 0.000 -9.206 -3.675) 9.913 ======================= Grid point 46 (20/60) ======================= q-point: ( 0.20 0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( 17.195 18.687 9.331) 27.055 1.586 ( 21.236 17.651 17.459) 32.670 2.026 ( 22.692 -4.672 2.280) 23.280 2.410 ( -3.806 7.018 -0.452) 7.996 2.507 ( -5.062 7.547 2.755) 9.496 2.586 ( 3.058 25.986 4.049) 26.477 2.785 ( 10.070 15.366 1.985) 18.479 2.868 ( -6.394 20.863 3.787) 22.147 3.121 ( 5.235 35.638 2.823) 36.131 3.236 ( 2.443 34.050 -1.133) 34.156 3.467 ( 9.765 19.201 -4.087) 21.925 3.952 ( 1.375 -6.307 -7.598) 9.970 3.964 ( -12.615 0.293 1.299) 12.685 4.056 ( -1.900 2.717 1.126) 3.501 4.139 ( -19.760 2.248 -2.373) 20.028 4.288 ( -8.046 1.650 -8.843) 12.069 4.494 ( -8.099 1.515 -8.781) 12.041 4.558 ( -8.537 4.777 2.001) 9.985 4.806 ( 2.676 4.333 -12.090) 13.119 4.878 ( 3.527 -5.270 -6.887) 9.362 4.970 ( 3.742 -0.676 2.125) 4.356 5.038 ( -1.934 -10.672 -0.011) 10.846 5.147 ( -0.864 -5.467 -1.520) 5.740 5.268 ( 0.213 2.212 -4.462) 4.985 5.408 ( 0.252 1.745 2.720) 3.241 5.480 ( 2.469 -7.232 -2.554) 8.058 5.615 ( 3.984 9.048 5.450) 11.289 5.784 ( 0.650 8.583 2.279) 8.905 6.137 ( 1.387 0.198 -1.129) 1.799 6.207 ( 0.819 3.012 0.496) 3.161 6.375 ( 5.059 2.531 7.750) 9.595 6.453 ( -0.481 -1.849 0.109) 1.914 6.647 ( 4.052 -0.734 4.415) 6.037 6.673 ( -1.188 -6.767 1.599) 7.054 6.731 ( -2.892 -0.755 1.520) 3.353 6.817 ( 4.799 -2.417 1.229) 5.512 6.880 ( -0.476 -4.448 5.577) 7.149 7.082 ( 7.828 0.585 -0.253) 7.854 7.280 ( -5.405 -2.324 -2.765) 6.500 7.370 ( -4.192 -2.073 -1.496) 4.910 7.410 ( -3.453 7.577 -1.591) 8.478 7.605 ( -6.219 2.219 -0.027) 6.603 7.707 ( 1.690 2.293 -0.009) 2.849 7.792 ( -0.415 14.093 2.804) 14.375 8.023 ( 2.709 -11.968 -1.136) 12.323 8.155 ( 3.159 -4.352 0.410) 5.393 8.252 ( 4.125 -1.004 1.791) 4.608 8.278 ( 0.141 -2.866 1.477) 3.227 8.597 ( -1.666 -10.185 8.119) 13.131 8.769 ( -9.026 -14.476 2.472) 17.238 8.881 ( 2.512 -14.008 -3.037) 14.552 8.996 ( 1.978 -14.703 -1.127) 14.879 9.671 ( 1.435 5.452 -14.912) 15.942 9.811 ( 1.279 -2.025 -6.374) 6.810 9.940 ( 1.509 0.347 -6.901) 7.072 10.080 ( 1.259 3.888 -3.380) 5.304 10.267 ( 2.879 -5.286 2.749) 6.618 10.322 ( 4.394 -0.434 4.745) 6.481 10.431 ( -1.097 3.196 2.689) 4.318 10.537 ( 1.012 13.924 0.484) 13.969 11.208 ( -2.312 2.705 -1.112) 3.728 11.313 ( 0.048 11.142 -0.794) 11.170 11.345 ( -1.317 8.417 -4.739) 9.749 11.409 ( 0.584 17.321 -1.706) 17.414 11.631 ( 2.114 5.057 -7.579) 9.353 11.702 ( 1.256 0.926 -3.209) 3.568 11.899 ( -4.706 6.203 5.554) 9.565 12.011 ( -8.025 1.828 6.335) 10.386 12.156 ( 4.206 -2.217 6.093) 7.729 12.247 ( 5.961 1.327 -3.813) 7.200 12.471 ( -3.836 -0.559 -2.441) 4.581 12.648 ( -1.547 -1.799 1.607) 2.865 13.027 ( 4.904 -4.983 -7.692) 10.395 13.106 ( 5.286 -6.241 -3.747) 8.996 13.372 ( 4.024 -9.771 -10.582) 14.954 13.438 ( -1.992 -6.981 -5.779) 9.279 13.581 ( -8.660 0.386 8.729) 12.302 13.760 ( -3.861 -6.037 4.305) 8.360 13.961 ( 4.083 -5.283 7.731) 10.215 14.029 ( 4.877 3.321 5.195) 7.861 14.146 ( -2.730 -11.653 7.747) 14.257 14.265 ( -2.030 3.097 2.506) 4.471 14.499 ( 4.973 -6.471 5.438) 9.807 14.636 ( -0.714 -5.632 4.636) 7.329 15.436 ( 5.138 7.869 9.877) 13.634 15.922 ( 12.116 -9.929 9.601) 18.373 16.234 ( -14.452 7.497 3.348) 16.621 16.549 ( -5.375 -0.534 3.286) 6.322 17.097 ( 3.379 45.104 2.656) 45.308 17.430 ( -5.500 36.181 2.649) 36.692 18.728 ( -0.019 -3.399 -6.847) 7.645 18.783 ( -3.282 0.059 -11.707) 12.158 19.006 ( 5.468 3.009 -6.607) 9.089 19.124 ( -0.455 7.342 -8.151) 10.980 19.229 ( 0.909 4.978 -9.245) 10.539 19.303 ( 0.274 -2.837 -13.671) 13.965 19.405 ( 1.964 0.409 -0.276) 2.025 19.442 ( 2.223 2.359 -2.570) 4.137 19.663 ( 2.735 -4.992 -15.431) 16.448 19.779 ( -0.466 -6.466 -7.793) 10.137 22.843 ( 5.402 41.935 21.546) 47.455 24.078 ( -41.417 39.222 -1.392) 57.058 25.092 ( 4.799 -19.845 3.073) 20.646 25.397 ( 15.179 1.911 -8.752) 17.625 25.630 ( -4.507 -8.301 -4.502) 10.463 25.886 ( -2.285 6.387 -8.808) 11.117 26.227 ( 8.179 -12.204 -2.926) 14.980 26.616 ( -3.468 -9.283 -3.638) 10.556 ======================= Grid point 47 (21/60) ======================= q-point: ( 0.40 0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( 16.424 16.185 8.849) 24.698 1.881 ( 0.871 13.076 8.369) 15.549 2.315 ( -0.127 21.569 2.604) 21.726 2.399 ( -4.407 16.925 2.421) 17.656 2.428 ( 17.138 -1.058 3.822) 17.591 2.698 ( -11.111 6.666 3.739) 13.486 2.885 ( 27.597 15.711 3.590) 31.958 3.091 ( 19.115 12.915 -0.206) 23.070 3.200 ( 4.869 34.251 3.031) 34.727 3.253 ( 1.120 39.046 -0.214) 39.062 3.484 ( -23.581 14.376 -2.658) 27.745 3.622 ( -26.132 2.420 -1.074) 26.266 3.818 ( 6.914 6.600 -1.559) 9.685 4.011 ( -6.335 -1.080 -5.895) 8.721 4.036 ( 5.308 -1.169 -2.718) 6.077 4.163 ( -6.125 2.169 -2.429) 6.937 4.342 ( -4.246 1.651 -4.265) 6.241 4.398 ( -7.807 2.688 3.346) 8.909 4.892 ( 5.237 4.230 -10.187) 12.210 4.939 ( 2.049 -6.203 -6.385) 9.135 4.989 ( -1.548 -2.429 -1.366) 3.188 5.002 ( -1.650 -11.031 -0.885) 11.189 5.165 ( 3.245 -1.003 -0.456) 3.427 5.237 ( -3.646 0.420 -0.212) 3.676 5.441 ( 3.226 -1.150 -4.111) 5.350 5.491 ( -1.458 -4.123 -5.146) 6.753 5.693 ( 4.484 5.472 4.931) 8.624 5.765 ( -2.901 5.647 3.332) 7.170 6.176 ( 2.555 2.050 -0.809) 3.374 6.209 ( -0.850 3.205 0.798) 3.411 6.432 ( 1.090 1.205 4.409) 4.699 6.442 ( -0.504 -0.196 0.630) 0.831 6.657 ( 1.196 -1.282 0.644) 1.868 6.692 ( -1.824 -0.233 -1.297) 2.250 6.765 ( 5.920 -6.536 7.636) 11.665 6.849 ( -3.127 -5.738 7.679) 10.084 6.957 ( 9.748 -1.406 -0.692) 9.873 7.115 ( -6.326 1.677 -3.545) 7.443 7.261 ( 4.807 0.147 -0.579) 4.844 7.324 ( 0.149 -0.435 -0.775) 0.901 7.341 ( -2.744 8.287 1.041) 8.792 7.448 ( -9.581 1.194 -0.566) 9.672 7.734 ( 1.592 7.578 2.953) 8.288 7.768 ( -1.904 10.794 3.576) 11.529 8.131 ( 6.036 -12.228 -2.694) 13.900 8.190 ( -0.456 -3.936 -0.285) 3.973 8.283 ( 3.461 -2.879 0.876) 4.586 8.327 ( 1.333 -11.277 -1.568) 11.463 8.559 ( -1.671 -11.598 7.202) 13.754 8.603 ( -7.478 -11.696 5.981) 15.116 8.943 ( 3.697 -14.553 -3.182) 15.349 8.996 ( -1.749 -14.850 -2.341) 15.135 9.723 ( 4.281 9.092 -9.739) 13.994 9.805 ( -3.483 6.326 -8.626) 11.250 9.972 ( 4.052 2.256 -3.869) 6.040 10.059 ( -3.954 0.898 -4.132) 5.790 10.334 ( 3.899 -7.346 4.163) 9.300 10.377 ( -0.225 -3.926 3.326) 5.151 10.466 ( 4.686 3.653 3.221) 6.758 10.532 ( -1.956 9.574 1.383) 9.870 11.209 ( 2.660 5.538 -2.922) 6.803 11.278 ( -4.240 7.514 -1.580) 8.771 11.340 ( 1.733 11.963 0.535) 12.100 11.383 ( -2.667 11.492 0.510) 11.808 11.665 ( 2.494 -2.398 -3.873) 5.193 11.736 ( -0.600 2.202 -5.369) 5.834 11.836 ( -1.367 8.936 4.301) 10.011 11.892 ( -4.088 9.001 1.065) 9.943 12.244 ( 5.970 -3.088 0.508) 6.741 12.340 ( -1.311 -2.200 -4.998) 5.616 12.425 ( 4.195 5.161 -1.098) 6.741 12.563 ( -7.487 2.350 0.242) 7.851 13.143 ( 7.206 -2.150 -4.856) 8.952 13.226 ( 5.548 -10.715 -6.827) 13.863 13.305 ( -5.065 -3.305 -0.855) 6.108 13.395 ( -7.371 -8.656 -2.021) 11.547 13.567 ( 7.144 -3.735 1.368) 8.176 13.684 ( -5.156 -6.019 0.963) 7.984 14.032 ( 3.795 -12.108 7.133) 14.556 14.089 ( -1.751 -13.065 5.535) 14.297 14.119 ( 3.447 6.659 6.604) 9.992 14.203 ( -4.577 5.951 4.015) 8.514 14.576 ( 3.175 -7.148 4.649) 9.099 14.617 ( -1.488 -6.505 4.333) 7.956 15.603 ( 13.556 8.683 8.375) 18.147 15.910 ( -19.264 8.242 5.931) 21.777 16.175 ( 14.238 -12.977 7.400) 20.637 16.403 ( -10.608 -7.848 4.993) 14.109 17.185 ( 6.143 43.236 2.410) 43.737 17.309 ( -7.280 39.714 2.465) 40.451 18.730 ( 0.274 -2.767 -8.051) 8.518 18.742 ( -1.323 -1.588 -9.691) 9.909 19.075 ( 2.401 1.091 -3.846) 4.664 19.107 ( -1.334 3.200 -4.620) 5.777 19.272 ( 2.931 4.518 -15.830) 16.721 19.305 ( -0.522 -0.356 -15.170) 15.183 19.443 ( 1.941 1.159 -1.012) 2.477 19.465 ( -0.104 2.738 -2.432) 3.664 19.718 ( 2.974 -4.459 -13.007) 14.068 19.761 ( -1.654 -5.123 -9.891) 11.261 23.019 ( 15.054 45.886 18.527) 51.724 23.419 ( -29.758 47.679 11.619) 57.392 25.210 ( 8.307 -19.079 2.818) 20.999 25.378 ( -9.441 -15.807 1.261) 18.455 25.717 ( 8.261 3.937 -12.224) 15.270 25.829 ( -4.321 5.673 -10.495) 12.688 26.385 ( 8.640 -10.482 -3.205) 13.957 26.525 ( -6.581 -9.641 -3.499) 12.186 ======================= Grid point 50 (22/60) ======================= q-point: ( 0.00 0.43 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( 0.000 13.203 7.349) 15.110 1.652 ( 0.000 -8.801 4.235) 9.767 1.851 ( 0.000 23.351 15.023) 27.767 2.270 ( 0.000 -19.934 9.300) 21.997 2.542 ( 0.000 3.749 -1.859) 4.184 2.598 ( 0.000 -2.315 -0.092) 2.317 3.387 ( 0.000 18.772 -0.770) 18.788 3.388 ( 0.000 9.836 -6.372) 11.719 3.480 ( 0.000 12.977 0.424) 12.984 3.485 ( 0.000 10.706 3.285) 11.199 3.883 ( 0.000 15.780 -2.477) 15.973 4.062 ( 0.000 14.265 -0.502) 14.273 4.062 ( 0.000 14.206 -0.388) 14.211 4.136 ( 0.000 -0.915 -0.493) 1.039 4.322 ( 0.000 -2.892 -8.711) 9.179 4.412 ( 0.000 -1.509 -4.669) 4.906 4.511 ( 0.000 -21.817 -5.361) 22.466 4.559 ( 0.000 -5.196 -0.679) 5.240 4.731 ( 0.000 1.266 -7.706) 7.810 4.767 ( 0.000 -4.297 0.691) 4.352 4.866 ( 0.000 2.065 -8.317) 8.570 4.996 ( 0.000 -6.508 -9.128) 11.210 5.104 ( 0.000 7.374 1.645) 7.556 5.260 ( 0.000 -8.663 1.372) 8.771 5.471 ( 0.000 12.170 -4.414) 12.945 5.514 ( 0.000 5.946 4.389) 7.391 5.733 ( 0.000 4.709 4.975) 6.850 5.848 ( 0.000 -4.899 1.378) 5.089 6.168 ( 0.000 5.859 -5.256) 7.871 6.231 ( 0.000 1.013 -5.549) 5.641 6.408 ( 0.000 -0.152 4.438) 4.441 6.447 ( 0.000 4.332 8.193) 9.267 6.516 ( 0.000 0.516 8.390) 8.406 6.536 ( 0.000 -5.943 3.041) 6.676 6.577 ( 0.000 -8.935 0.236) 8.938 6.719 ( 0.000 -11.401 8.854) 14.435 6.927 ( 0.000 5.605 7.743) 9.559 6.994 ( 0.000 -0.927 4.715) 4.805 7.285 ( 0.000 -1.250 -4.260) 4.439 7.311 ( 0.000 -4.182 -3.921) 5.733 7.608 ( 0.000 1.379 -3.312) 3.587 7.643 ( 0.000 3.278 -7.026) 7.753 7.843 ( 0.000 10.535 -1.727) 10.675 7.942 ( 0.000 7.424 5.578) 9.286 8.019 ( 0.000 -5.805 -1.372) 5.965 8.129 ( 0.000 13.836 4.372) 14.510 8.144 ( 0.000 -4.648 2.338) 5.203 8.355 ( 0.000 -14.591 0.735) 14.610 8.359 ( 0.000 4.867 1.928) 5.235 8.534 ( 0.000 -13.982 -0.805) 14.005 8.684 ( 0.000 -8.710 6.357) 10.783 8.690 ( 0.000 -9.224 0.121) 9.225 9.700 ( 0.000 0.895 -5.002) 5.082 9.776 ( 0.000 -6.989 -4.295) 8.203 9.813 ( 0.000 7.408 -10.796) 13.093 9.981 ( 0.000 -8.519 -8.842) 12.278 10.280 ( 0.000 1.537 4.980) 5.211 10.287 ( 0.000 0.993 5.209) 5.303 10.601 ( 0.000 7.413 4.990) 8.936 10.687 ( 0.000 0.610 4.030) 4.076 11.310 ( 0.000 4.846 -0.407) 4.863 11.390 ( 0.000 0.546 -8.834) 8.851 11.518 ( 0.000 5.649 -2.294) 6.097 11.539 ( 0.000 -2.705 -3.073) 4.094 11.747 ( 0.000 14.287 -0.137) 14.288 11.883 ( 0.000 2.106 -2.496) 3.266 11.978 ( 0.000 0.889 7.688) 7.740 12.029 ( 0.000 5.877 4.756) 7.560 12.088 ( 0.000 -6.391 1.402) 6.543 12.204 ( 0.000 -3.331 -1.455) 3.635 12.503 ( 0.000 1.201 5.330) 5.464 12.560 ( 0.000 -5.070 7.832) 9.330 12.937 ( 0.000 4.698 -9.202) 10.332 13.075 ( 0.000 -3.631 -1.555) 3.950 13.160 ( 0.000 0.247 -18.162) 18.163 13.295 ( 0.000 -8.994 -11.181) 14.350 13.636 ( 0.000 -0.585 3.917) 3.961 13.707 ( 0.000 -7.302 5.002) 8.851 13.927 ( 0.000 2.632 10.515) 10.840 13.988 ( 0.000 0.638 3.883) 3.935 14.114 ( 0.000 2.368 5.515) 6.002 14.235 ( 0.000 -6.350 1.518) 6.529 14.429 ( 0.000 4.194 5.533) 6.943 14.534 ( 0.000 -5.961 4.766) 7.632 15.537 ( 0.000 7.690 10.325) 12.874 15.679 ( 0.000 -7.071 10.281) 12.478 16.496 ( 0.000 5.648 2.253) 6.081 16.584 ( 0.000 -3.213 2.525) 4.086 17.904 ( 0.000 39.919 1.735) 39.957 18.123 ( 0.000 29.874 2.841) 30.009 18.518 ( 0.000 -22.187 -2.224) 22.298 18.580 ( 0.000 -19.200 1.225) 19.239 19.066 ( 0.000 7.551 -8.619) 11.459 19.194 ( 0.000 -5.348 -11.867) 13.016 19.289 ( 0.000 3.007 -4.083) 5.071 19.315 ( 0.000 2.220 -7.360) 7.688 19.442 ( 0.000 6.786 -2.849) 7.360 19.458 ( 0.000 2.766 -8.246) 8.698 19.536 ( 0.000 -3.941 -12.505) 13.111 19.625 ( 0.000 -9.095 -4.948) 10.354 23.667 ( 0.000 47.673 13.310) 49.497 24.499 ( 0.000 -37.422 7.608) 38.187 25.104 ( 0.000 19.149 -8.631) 21.005 25.312 ( 0.000 8.584 -1.452) 8.706 25.531 ( 0.000 -3.113 -5.163) 6.029 25.804 ( 0.000 -19.597 -3.732) 19.949 26.116 ( 0.000 14.377 -7.732) 16.325 26.411 ( 0.000 -15.080 -5.614) 16.091 ======================= Grid point 51 (23/60) ======================= q-point: ( 0.20 0.43 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( 22.030 13.820 4.353) 26.368 1.902 ( 22.073 -5.772 4.401) 23.236 1.939 ( 11.362 16.706 13.664) 24.390 2.294 ( 2.436 -17.440 9.023) 19.786 2.537 ( 0.266 5.983 -0.035) 5.989 2.632 ( 4.695 -3.795 0.099) 6.038 3.306 ( -8.152 20.384 2.158) 22.060 3.432 ( 2.886 17.032 -7.305) 18.756 3.485 ( 4.200 7.354 -2.298) 8.775 3.524 ( 0.547 2.536 2.406) 3.538 3.907 ( 3.346 13.585 -1.814) 14.109 4.009 ( -9.420 5.733 0.688) 11.048 4.045 ( -3.769 10.170 -3.002) 11.253 4.112 ( 0.434 11.563 -0.334) 11.575 4.267 ( -4.712 -0.084 -6.512) 8.039 4.274 ( -11.491 6.417 -3.164) 13.537 4.490 ( -6.962 -5.861 -2.720) 9.498 4.545 ( 1.437 -16.447 -5.037) 17.261 4.645 ( -8.316 -2.994 0.478) 8.852 4.737 ( -2.411 -11.128 -1.692) 11.511 4.901 ( 4.274 4.972 -9.328) 11.402 5.034 ( 3.950 -6.941 -8.472) 11.643 5.108 ( -0.023 8.098 -0.116) 8.099 5.255 ( -1.115 -6.697 -0.418) 6.802 5.488 ( 1.583 10.276 -3.276) 10.901 5.511 ( -0.069 7.832 2.958) 8.372 5.714 ( -1.417 0.390 3.903) 4.170 5.819 ( -3.122 -7.222 1.709) 8.051 6.198 ( 3.537 7.424 -5.312) 9.790 6.269 ( 2.956 2.872 -3.446) 5.372 6.435 ( 1.851 0.947 2.854) 3.531 6.487 ( 1.840 4.124 6.960) 8.297 6.520 ( 0.622 -4.924 5.032) 7.068 6.551 ( 2.647 -5.312 4.988) 7.753 6.597 ( 2.453 -5.701 2.452) 6.673 6.729 ( 0.138 -10.303 10.020) 14.373 6.940 ( 2.752 7.584 4.686) 9.331 7.053 ( 5.844 -3.928 2.976) 7.644 7.253 ( -3.163 0.789 -3.215) 4.578 7.305 ( -1.233 -3.748 -2.960) 4.932 7.574 ( -2.350 6.454 -4.501) 8.212 7.683 ( 2.953 -0.435 -5.768) 6.495 7.823 ( -3.933 8.731 -3.086) 10.061 7.880 ( -1.615 7.761 5.927) 9.898 8.030 ( -1.597 -6.544 -2.103) 7.057 8.091 ( -3.485 9.451 3.408) 10.634 8.144 ( 0.548 -6.489 5.798) 8.719 8.320 ( -3.699 -14.049 2.416) 14.727 8.372 ( 1.667 5.910 1.671) 6.364 8.547 ( 0.383 -9.315 -0.780) 9.355 8.628 ( -2.036 -7.453 3.405) 8.443 8.723 ( 0.539 -12.491 1.328) 12.573 9.750 ( 4.946 2.046 -5.098) 7.392 9.804 ( 3.477 -0.364 -7.428) 8.209 9.884 ( 5.863 1.277 -8.354) 10.285 10.019 ( 2.779 -8.241 -9.381) 12.792 10.286 ( 1.283 3.503 6.238) 7.268 10.314 ( 3.117 -0.130 6.223) 6.961 10.541 ( -5.129 7.548 6.591) 11.257 10.665 ( -2.918 -2.307 3.947) 5.424 11.269 ( -2.205 5.806 -2.479) 6.688 11.386 ( -1.192 -1.715 -5.974) 6.329 11.502 ( -4.340 -1.263 -2.232) 5.041 11.519 ( -0.545 4.194 -2.547) 4.937 11.779 ( 2.760 13.017 -0.632) 13.322 11.835 ( -3.188 3.877 1.265) 5.177 11.979 ( -2.680 -2.300 5.063) 6.173 12.054 ( -1.982 -0.582 0.919) 2.261 12.096 ( 7.740 5.729 3.490) 10.242 12.272 ( 6.612 -2.634 -2.207) 7.452 12.486 ( -1.790 2.308 3.412) 4.491 12.576 ( 0.900 -5.859 4.524) 7.457 12.983 ( 4.829 3.903 -9.293) 11.177 13.090 ( 1.455 -0.949 -3.193) 3.635 13.201 ( 3.481 -4.244 -15.713) 16.644 13.283 ( -1.385 -7.951 -9.895) 12.769 13.612 ( -1.998 1.926 3.530) 4.490 13.690 ( -2.706 -3.744 7.012) 8.397 13.820 ( -4.881 -0.507 6.159) 7.875 13.943 ( -6.570 -9.519 7.470) 13.769 14.181 ( 6.526 8.422 4.565) 11.592 14.314 ( 4.975 -3.204 2.649) 6.483 14.420 ( -0.617 1.992 5.729) 6.097 14.521 ( -1.350 -6.246 4.575) 7.859 15.591 ( 6.262 8.320 9.949) 14.402 15.751 ( 7.876 -8.493 9.980) 15.290 16.369 ( -13.254 6.653 3.516) 15.241 16.484 ( -10.521 -5.249 3.697) 12.325 17.925 ( 2.143 39.184 1.588) 39.275 18.098 ( -2.503 31.193 2.310) 31.378 18.522 ( 0.380 -21.512 -2.304) 21.639 18.568 ( -1.065 -18.672 0.116) 18.702 19.085 ( 2.031 6.214 -7.967) 10.306 19.194 ( 0.127 -3.329 -11.214) 11.698 19.259 ( -2.536 2.253 -4.744) 5.832 19.308 ( -1.067 -0.469 -8.169) 8.251 19.461 ( 2.651 5.834 -6.377) 9.041 19.501 ( 3.113 4.075 -4.667) 6.934 19.567 ( 2.906 -4.444 -11.991) 13.115 19.638 ( 1.074 -7.913 -5.380) 9.628 23.728 ( 6.862 47.615 12.428) 49.686 24.550 ( 5.662 -36.690 7.074) 37.793 24.744 ( -26.493 30.706 -1.977) 40.603 25.238 ( -14.196 -20.100 -0.291) 24.609 25.664 ( 13.497 12.231 -8.034) 19.908 25.944 ( 10.794 -14.951 -4.825) 19.061 26.094 ( -2.356 13.164 -7.564) 15.364 26.380 ( -3.376 -14.873 -5.536) 16.225 ======================= Grid point 52 (24/60) ======================= q-point: ( 0.40 0.43 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( 11.235 16.130 6.052) 20.567 2.113 ( 1.555 11.436 7.815) 13.939 2.259 ( 10.052 -10.299 3.537) 14.820 2.332 ( 0.357 -11.379 6.847) 13.285 2.682 ( 20.054 13.418 3.212) 24.342 2.880 ( 24.691 -7.325 1.544) 25.801 3.078 ( -18.203 19.817 3.009) 27.076 3.345 ( -19.949 -7.209 1.855) 21.293 3.539 ( 8.488 15.726 -6.739) 19.099 3.618 ( 6.137 6.705 -7.123) 11.548 3.781 ( -10.978 7.193 -4.105) 13.752 3.845 ( -14.588 4.118 -2.924) 15.437 4.034 ( 10.270 10.431 -0.614) 14.651 4.111 ( 0.875 16.666 -2.045) 16.814 4.158 ( -3.296 14.834 -1.459) 15.266 4.230 ( -3.204 4.875 1.280) 5.972 4.338 ( -3.948 0.008 -1.121) 4.104 4.437 ( -9.327 2.868 -0.076) 9.759 4.627 ( 3.168 -21.750 -1.517) 22.032 4.685 ( -3.143 -18.749 -0.318) 19.013 4.999 ( 5.706 5.929 -7.292) 10.995 5.081 ( -2.744 6.483 -4.007) 8.100 5.124 ( 4.879 -5.238 -6.213) 9.479 5.208 ( -3.970 -5.074 -3.495) 7.329 5.510 ( 0.794 8.967 -0.743) 9.032 5.517 ( 0.255 10.482 -0.350) 10.491 5.706 ( 1.089 -5.844 2.284) 6.368 5.753 ( -3.642 -8.252 1.774) 9.193 6.274 ( 4.017 8.446 -3.687) 10.053 6.310 ( 0.722 7.514 -1.734) 7.745 6.440 ( -0.228 -2.183 0.290) 2.214 6.465 ( -2.476 -0.506 3.359) 4.204 6.574 ( 4.070 -3.518 3.649) 6.501 6.624 ( -0.157 -3.317 3.130) 4.564 6.628 ( 4.329 -6.051 7.895) 10.849 6.703 ( -3.054 -8.067 8.814) 12.332 7.039 ( 7.328 7.536 1.849) 10.673 7.163 ( -3.232 2.985 -0.775) 4.467 7.181 ( 3.779 -4.901 0.884) 6.252 7.267 ( -3.105 -5.182 -1.130) 6.146 7.558 ( 1.574 12.570 -4.321) 13.385 7.644 ( -6.770 15.385 -3.205) 17.111 7.832 ( 6.367 -15.172 -5.286) 17.282 7.908 ( 3.304 10.172 5.732) 12.134 7.957 ( -5.537 -9.351 -3.145) 11.313 8.002 ( -5.962 7.755 3.514) 10.394 8.177 ( 2.845 -10.689 6.895) 13.034 8.242 ( -4.285 -12.459 5.209) 14.168 8.425 ( 4.006 6.984 1.551) 8.200 8.503 ( -4.244 3.735 1.888) 5.961 8.652 ( 3.286 -14.571 -0.408) 14.942 8.706 ( -2.286 -14.338 -0.160) 14.520 9.849 ( 5.035 4.340 -7.441) 9.978 9.879 ( 3.000 3.841 -8.673) 9.949 9.961 ( 2.614 -2.750 -7.218) 8.155 10.022 ( -2.848 -5.918 -7.171) 9.724 10.334 ( 3.876 6.119 8.533) 11.193 10.388 ( 1.030 5.331 6.787) 8.691 10.480 ( 1.819 -1.594 7.341) 7.729 10.582 ( -6.014 -5.186 4.843) 9.302 11.276 ( 3.169 5.001 -2.968) 6.623 11.353 ( -3.276 3.513 -2.899) 5.611 11.419 ( -1.882 -5.179 -2.307) 5.974 11.468 ( -4.770 -2.266 -2.524) 5.853 11.799 ( -0.114 10.330 0.826) 10.364 11.808 ( -0.140 12.008 0.529) 12.021 11.960 ( 1.304 -2.578 1.983) 3.504 12.005 ( -2.967 -3.210 0.860) 4.455 12.265 ( 9.359 9.086 0.668) 13.061 12.378 ( 0.245 6.183 -2.391) 6.634 12.460 ( 2.427 -2.443 1.103) 3.616 12.552 ( -4.094 -4.901 0.814) 6.438 13.096 ( 6.705 -0.089 -8.812) 11.073 13.130 ( 2.716 -0.301 -7.423) 7.910 13.218 ( -2.064 -4.383 -8.805) 10.050 13.241 ( -3.533 -7.448 -8.458) 11.811 13.598 ( 1.281 6.055 5.152) 8.053 13.636 ( -2.291 2.921 6.030) 7.081 13.786 ( 0.225 -11.069 5.399) 12.318 13.831 ( -4.870 -12.089 6.968) 14.779 14.282 ( 4.453 8.375 4.857) 10.657 14.341 ( -1.836 7.157 4.177) 8.488 14.440 ( 2.765 -7.058 4.758) 8.950 14.488 ( -2.278 -7.007 4.336) 8.549 15.772 ( 13.769 9.129 8.603) 18.626 15.955 ( 14.159 -10.238 8.642) 19.493 16.070 ( -18.074 8.435 6.197) 20.886 16.236 ( -15.855 -8.961 6.236) 19.250 17.976 ( 3.429 37.098 1.364) 37.281 18.041 ( -3.575 34.124 1.542) 34.346 18.532 ( 0.721 -19.949 -2.256) 20.089 18.548 ( -1.068 -18.658 -1.517) 18.750 19.131 ( 2.851 4.971 -6.970) 9.024 19.181 ( -2.294 4.429 -7.151) 8.719 19.238 ( 1.177 -4.498 -9.170) 10.281 19.276 ( -2.327 -3.652 -9.250) 10.213 19.516 ( 2.694 5.399 -6.266) 8.699 19.538 ( 0.502 4.815 -4.719) 6.761 19.621 ( 2.612 -5.376 -10.080) 11.719 19.648 ( -0.288 -6.256 -7.215) 9.553 23.925 ( 15.264 46.329 9.606) 49.715 24.279 ( -23.581 41.198 4.584) 47.690 24.705 ( 11.433 -34.237 5.457) 36.506 24.954 ( -15.660 -29.054 2.779) 33.123 25.877 ( 9.620 12.196 -8.448) 17.682 26.012 ( -5.332 12.877 -8.240) 16.191 26.143 ( 9.192 -14.072 -4.958) 17.525 26.289 ( -6.688 -14.450 -5.347) 16.797 ======================= Grid point 70 (25/60) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( 0.000 0.000 21.808) 21.808 1.207 ( 0.000 0.000 26.381) 26.381 1.650 ( 0.000 0.000 4.288) 4.288 1.809 ( 0.000 0.000 1.014) 1.014 1.870 ( 0.000 0.000 0.213) 0.213 1.920 ( 0.000 0.000 2.447) 2.447 1.985 ( 0.000 0.000 34.039) 34.039 2.332 ( 0.000 0.000 4.253) 4.253 2.693 ( 0.000 0.000 -0.397) 0.397 3.058 ( 0.000 0.000 1.487) 1.487 3.086 ( 0.000 0.000 0.061) 0.061 3.710 ( 0.000 0.000 -7.171) 7.171 3.850 ( 0.000 0.000 -14.960) 14.960 3.979 ( 0.000 0.000 -20.870) 20.870 4.107 ( 0.000 0.000 3.879) 3.879 4.288 ( 0.000 0.000 0.909) 0.909 4.367 ( 0.000 0.000 -9.908) 9.908 4.405 ( 0.000 0.000 -2.844) 2.844 4.661 ( 0.000 0.000 11.735) 11.735 4.998 ( 0.000 0.000 -1.043) 1.043 5.000 ( 0.000 0.000 -12.031) 12.031 5.104 ( 0.000 0.000 0.667) 0.667 5.127 ( 0.000 0.000 3.044) 3.044 5.186 ( 0.000 0.000 -12.457) 12.457 5.229 ( 0.000 0.000 9.064) 9.064 5.592 ( 0.000 0.000 9.155) 9.155 5.728 ( 0.000 0.000 9.013) 9.013 5.801 ( 0.000 0.000 2.932) 2.932 6.008 ( 0.000 0.000 -4.395) 4.395 6.057 ( 0.000 0.000 -9.753) 9.753 6.425 ( 0.000 0.000 7.362) 7.362 6.444 ( 0.000 0.000 6.182) 6.182 6.522 ( 0.000 0.000 -0.312) 0.312 6.647 ( 0.000 0.000 10.193) 10.193 6.852 ( 0.000 0.000 -4.860) 4.860 6.882 ( 0.000 0.000 -6.013) 6.013 6.937 ( 0.000 0.000 -1.065) 1.065 7.051 ( 0.000 0.000 -6.125) 6.125 7.081 ( 0.000 0.000 9.276) 9.276 7.289 ( 0.000 0.000 -1.892) 1.892 7.517 ( 0.000 0.000 -0.370) 0.370 7.528 ( 0.000 0.000 4.871) 4.871 7.611 ( 0.000 0.000 4.643) 4.643 7.681 ( 0.000 0.000 -3.094) 3.094 7.783 ( 0.000 0.000 -7.278) 7.278 8.210 ( 0.000 0.000 4.674) 4.674 8.265 ( 0.000 0.000 -0.033) 0.033 8.541 ( 0.000 0.000 3.855) 3.855 8.845 ( 0.000 0.000 5.555) 5.555 8.988 ( 0.000 0.000 -6.404) 6.404 9.020 ( 0.000 0.000 -13.564) 13.564 9.223 ( 0.000 0.000 1.264) 1.264 9.275 ( 0.000 0.000 -5.500) 5.500 9.514 ( 0.000 0.000 -4.220) 4.220 9.793 ( 0.000 0.000 -2.670) 2.670 9.822 ( 0.000 0.000 7.038) 7.038 10.149 ( 0.000 0.000 1.205) 1.205 10.290 ( 0.000 0.000 -1.638) 1.638 10.414 ( 0.000 0.000 5.055) 5.055 10.522 ( 0.000 0.000 -3.366) 3.366 10.633 ( 0.000 0.000 5.032) 5.032 10.875 ( 0.000 0.000 -2.131) 2.131 11.165 ( 0.000 0.000 -2.996) 2.996 11.176 ( 0.000 0.000 -3.550) 3.550 11.258 ( 0.000 0.000 2.671) 2.671 11.830 ( 0.000 0.000 -2.788) 2.788 11.840 ( 0.000 0.000 -0.779) 0.779 12.157 ( 0.000 0.000 -0.208) 0.208 12.357 ( 0.000 0.000 -9.378) 9.378 12.359 ( 0.000 0.000 12.124) 12.124 12.432 ( 0.000 0.000 8.880) 8.880 12.601 ( 0.000 0.000 -4.493) 4.493 12.944 ( 0.000 0.000 -12.040) 12.040 13.183 ( 0.000 0.000 -2.840) 2.840 13.447 ( 0.000 0.000 -3.086) 3.086 13.551 ( 0.000 0.000 -6.087) 6.087 13.584 ( 0.000 0.000 8.414) 8.414 13.910 ( 0.000 0.000 -1.196) 1.196 14.051 ( 0.000 0.000 4.803) 4.803 14.357 ( 0.000 0.000 -2.475) 2.475 14.467 ( 0.000 0.000 8.084) 8.084 14.716 ( 0.000 0.000 6.720) 6.720 14.883 ( 0.000 0.000 6.211) 6.211 15.424 ( 0.000 0.000 18.863) 18.863 15.523 ( 0.000 0.000 -0.983) 0.983 15.965 ( 0.000 0.000 2.523) 2.523 16.262 ( 0.000 0.000 6.841) 6.841 16.289 ( 0.000 0.000 21.790) 21.790 16.303 ( 0.000 0.000 -1.355) 1.355 16.720 ( 0.000 0.000 -0.497) 0.497 16.828 ( 0.000 0.000 -2.089) 2.089 18.574 ( 0.000 0.000 -10.208) 10.208 18.582 ( 0.000 0.000 -11.391) 11.391 18.610 ( 0.000 0.000 -28.802) 28.802 19.105 ( 0.000 0.000 -2.532) 2.532 19.139 ( 0.000 0.000 -1.055) 1.055 19.387 ( 0.000 0.000 -18.161) 18.161 19.405 ( 0.000 0.000 1.671) 1.671 19.508 ( 0.000 0.000 3.394) 3.394 19.664 ( 0.000 0.000 -16.070) 16.070 22.751 ( 0.000 0.000 33.468) 33.468 23.680 ( 0.000 0.000 3.515) 3.515 24.590 ( 0.000 0.000 -9.005) 9.005 25.450 ( 0.000 0.000 -19.369) 19.369 25.544 ( 0.000 0.000 6.983) 6.983 25.936 ( 0.000 0.000 2.330) 2.330 26.331 ( 0.000 0.000 -4.367) 4.367 26.679 ( 0.000 0.000 -6.181) 6.181 ======================= Grid point 71 (26/60) ======================= q-point: ( 0.20 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( 7.171 0.000 18.989) 20.298 1.375 ( 14.819 0.000 21.149) 25.824 1.616 ( -3.807 0.000 5.207) 6.450 1.814 ( 0.525 0.000 0.920) 1.060 1.863 ( -0.834 0.000 -0.006) 0.834 2.039 ( 0.082 0.000 15.846) 15.846 2.163 ( 24.175 0.000 3.091) 24.372 2.357 ( 9.358 0.000 19.187) 21.347 2.775 ( 9.188 0.000 -1.419) 9.297 3.016 ( -4.588 0.000 2.368) 5.163 3.183 ( 6.201 0.000 -8.101) 10.202 3.761 ( 5.291 0.000 -7.096) 8.852 3.788 ( -5.182 0.000 -11.570) 12.677 3.961 ( -5.656 0.000 -13.494) 14.632 4.132 ( -20.533 0.000 -1.395) 20.580 4.179 ( 7.259 0.000 3.187) 7.927 4.243 ( -7.780 0.000 -4.014) 8.754 4.418 ( 4.555 0.000 -5.284) 6.976 4.576 ( -5.963 0.000 11.446) 12.906 5.007 ( 0.819 0.000 -10.846) 10.876 5.036 ( 4.146 0.000 -3.366) 5.340 5.060 ( -7.210 0.000 -5.022) 8.787 5.181 ( 3.070 0.000 1.217) 3.303 5.255 ( -0.282 0.000 -7.855) 7.860 5.283 ( 6.075 0.000 8.993) 10.853 5.505 ( 2.066 0.000 9.891) 10.105 5.680 ( -4.946 0.000 8.446) 9.788 5.794 ( -1.412 0.000 3.807) 4.060 6.052 ( -0.404 0.000 -9.540) 9.548 6.113 ( 2.476 0.000 -3.924) 4.640 6.436 ( 1.873 0.000 5.026) 5.364 6.453 ( 1.272 0.000 2.607) 2.901 6.469 ( 1.780 0.000 3.906) 4.293 6.789 ( -6.180 0.000 -2.954) 6.850 6.861 ( 11.039 0.000 3.478) 11.574 6.940 ( 0.192 0.000 1.853) 1.863 6.966 ( 7.967 0.000 -5.204) 9.516 7.075 ( 1.384 0.000 10.890) 10.977 7.098 ( 4.532 0.000 -6.223) 7.698 7.315 ( 2.985 0.000 -2.586) 3.950 7.455 ( -6.710 0.000 3.523) 7.578 7.493 ( -6.371 0.000 1.589) 6.566 7.609 ( -7.465 0.000 -1.578) 7.630 7.659 ( -0.615 0.000 -6.228) 6.258 7.994 ( 27.359 0.000 -13.236) 30.392 8.179 ( 0.989 0.000 4.463) 4.572 8.332 ( 3.971 0.000 2.267) 4.573 8.646 ( 10.334 0.000 2.448) 10.620 8.817 ( -2.050 0.000 5.859) 6.208 8.979 ( -4.337 0.000 -12.414) 13.150 9.011 ( 1.911 0.000 -5.946) 6.246 9.214 ( -1.224 0.000 0.079) 1.227 9.264 ( -1.346 0.000 -5.179) 5.351 9.446 ( -8.494 0.000 -2.135) 8.758 9.667 ( -6.615 0.000 -5.009) 8.298 9.867 ( -1.030 0.000 -1.276) 1.640 10.214 ( 7.068 0.000 1.895) 7.317 10.380 ( 4.859 0.000 -0.360) 4.872 10.397 ( 3.053 0.000 1.758) 3.523 10.573 ( 3.550 0.000 0.094) 3.552 10.684 ( 5.815 0.000 4.357) 7.266 10.900 ( 2.812 0.000 -1.866) 3.375 11.138 ( -4.072 0.000 -3.632) 5.456 11.198 ( -4.844 0.000 1.729) 5.143 11.236 ( 7.406 0.000 -2.499) 7.817 11.830 ( -2.400 0.000 -1.192) 2.680 11.935 ( 6.792 0.000 -6.800) 9.611 11.979 ( -11.852 0.000 5.263) 12.967 12.202 ( -10.407 0.000 11.135) 15.242 12.341 ( -1.747 0.000 -8.059) 8.246 12.427 ( -3.476 0.000 2.876) 4.511 12.621 ( -1.106 0.000 3.070) 3.263 13.019 ( 8.043 0.000 -10.109) 12.918 13.264 ( 6.504 0.000 -6.024) 8.865 13.488 ( 2.657 0.000 -3.919) 4.734 13.512 ( -3.065 0.000 -5.403) 6.212 13.647 ( 6.487 0.000 7.021) 9.559 13.925 ( 1.834 0.000 0.884) 2.036 14.025 ( -3.014 0.000 4.718) 5.598 14.286 ( -9.030 0.000 6.282) 11.000 14.422 ( 1.056 0.000 4.036) 4.172 14.727 ( -0.122 0.000 7.424) 7.425 14.874 ( -0.356 0.000 5.059) 5.071 15.240 ( -17.009 0.000 8.175) 18.872 15.466 ( 5.053 0.000 17.985) 18.681 15.980 ( 0.912 0.000 2.780) 2.925 16.175 ( -8.558 0.000 7.835) 11.603 16.266 ( -4.331 0.000 -0.661) 4.381 16.719 ( 0.583 0.000 -0.169) 0.606 16.819 ( -1.051 0.000 -1.796) 2.081 16.944 ( 50.435 0.000 -3.190) 50.536 18.548 ( -7.550 0.000 -27.788) 28.795 18.567 ( -0.519 0.000 -10.500) 10.513 18.579 ( -0.469 0.000 -10.787) 10.797 19.051 ( -1.855 0.000 -3.611) 4.060 19.172 ( -0.560 0.000 -2.242) 2.311 19.411 ( 2.615 0.000 -18.316) 18.502 19.431 ( 3.405 0.000 2.474) 4.209 19.530 ( 1.669 0.000 3.406) 3.793 19.639 ( -2.830 0.000 -16.519) 16.760 22.742 ( -0.471 0.000 32.561) 32.565 23.328 ( -26.701 0.000 17.892) 32.141 24.882 ( 21.324 0.000 -19.414) 28.838 25.435 ( -1.901 0.000 -19.746) 19.837 25.571 ( 2.942 0.000 6.663) 7.283 25.879 ( -5.566 0.000 2.939) 6.294 26.384 ( 5.151 0.000 -4.673) 6.954 26.656 ( -2.482 0.000 -6.108) 6.593 ======================= Grid point 72 (27/60) ======================= q-point: ( 0.40 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( 9.426 0.000 13.216) 16.233 1.512 ( -7.551 0.000 8.186) 11.137 1.644 ( 14.437 0.000 15.363) 21.082 1.827 ( 0.897 0.000 0.642) 1.103 1.845 ( -1.042 0.000 0.275) 1.078 1.894 ( -12.764 0.000 9.157) 15.709 2.617 ( 20.921 0.000 3.916) 21.285 2.739 ( 27.183 0.000 14.563) 30.838 2.876 ( -9.094 0.000 1.055) 9.155 3.080 ( 24.228 0.000 -0.666) 24.237 3.148 ( -13.514 0.000 -7.618) 15.513 3.620 ( -30.784 0.000 -3.291) 30.959 3.721 ( 0.136 0.000 -2.349) 2.353 3.808 ( -8.289 0.000 -6.623) 10.610 3.913 ( 8.177 0.000 -3.090) 8.741 4.084 ( -9.701 0.000 -2.840) 10.108 4.323 ( 7.956 0.000 2.584) 8.365 4.457 ( -6.748 0.000 4.463) 8.090 4.601 ( 13.296 0.000 -4.721) 14.110 4.854 ( -13.596 0.000 -3.037) 13.931 5.063 ( 4.636 0.000 -8.533) 9.711 5.125 ( 4.919 0.000 -3.653) 6.127 5.165 ( -6.208 0.000 -6.130) 8.724 5.191 ( -1.893 0.000 -1.315) 2.305 5.422 ( 8.377 0.000 7.687) 11.369 5.566 ( -7.354 0.000 7.735) 10.673 5.637 ( 7.831 0.000 5.389) 9.507 5.746 ( -4.210 0.000 4.218) 5.959 6.052 ( 0.758 0.000 -8.187) 8.222 6.086 ( -2.795 0.000 -5.217) 5.919 6.499 ( 2.248 0.000 2.947) 3.706 6.510 ( 6.339 0.000 2.030) 6.656 6.511 ( 1.372 0.000 1.717) 2.198 6.650 ( -8.525 0.000 -0.363) 8.532 6.940 ( 0.729 0.000 3.456) 3.532 6.950 ( 0.290 0.000 5.853) 5.860 7.124 ( 8.173 0.000 -6.061) 10.175 7.177 ( 8.781 0.000 8.162) 11.989 7.188 ( 3.418 0.000 -6.477) 7.324 7.345 ( -8.654 0.000 3.250) 9.244 7.347 ( -2.719 0.000 2.705) 3.835 7.405 ( 6.192 0.000 -4.010) 7.377 7.442 ( -9.774 0.000 0.992) 9.824 7.549 ( -8.721 0.000 -4.917) 10.012 8.235 ( 5.315 0.000 3.104) 6.155 8.309 ( -1.138 0.000 1.488) 1.874 8.576 ( 22.051 0.000 -16.261) 27.398 8.792 ( -3.681 0.000 -4.653) 5.933 8.856 ( 11.462 0.000 0.166) 11.464 8.924 ( 4.480 0.000 -1.777) 4.820 9.009 ( -4.072 0.000 -2.915) 5.008 9.192 ( -18.093 0.000 0.553) 18.101 9.194 ( 0.212 0.000 -3.233) 3.240 9.226 ( -2.535 0.000 -5.010) 5.615 9.647 ( 3.886 0.000 -10.451) 11.150 9.767 ( -8.022 0.000 -8.547) 11.722 10.350 ( 6.333 0.000 3.801) 7.386 10.412 ( 0.021 0.000 0.795) 0.795 10.514 ( 5.981 0.000 2.237) 6.386 10.591 ( -1.842 0.000 1.638) 2.465 10.848 ( 11.001 0.000 0.374) 11.007 10.978 ( 5.627 0.000 -0.581) 5.657 11.029 ( -8.218 0.000 -2.660) 8.638 11.090 ( -6.433 0.000 1.017) 6.513 11.453 ( 15.802 0.000 -3.787) 16.249 11.766 ( -0.579 0.000 1.669) 1.766 11.773 ( -18.222 0.000 -6.238) 19.260 11.836 ( -6.235 0.000 0.730) 6.278 12.296 ( 13.912 0.000 9.688) 16.953 12.318 ( 0.225 0.000 -4.335) 4.341 12.355 ( -3.422 0.000 -0.475) 3.455 12.522 ( -9.683 0.000 7.590) 12.304 13.176 ( 8.504 0.000 -9.185) 12.517 13.308 ( -4.413 0.000 -10.921) 11.779 13.471 ( 2.622 0.000 -1.471) 3.006 13.524 ( -1.219 0.000 -4.883) 5.032 13.792 ( 8.722 0.000 5.341) 10.227 13.937 ( -6.754 0.000 4.727) 8.244 13.994 ( 6.057 0.000 4.113) 7.321 14.125 ( -8.091 0.000 6.965) 10.676 14.523 ( 9.091 0.000 6.466) 11.156 14.678 ( -5.973 0.000 8.926) 10.740 14.891 ( 2.621 0.000 3.543) 4.407 14.997 ( -9.852 0.000 5.255) 11.166 15.619 ( 11.924 0.000 15.363) 19.448 15.872 ( -14.110 0.000 10.431) 17.546 16.097 ( 2.505 0.000 3.403) 4.225 16.174 ( -5.182 0.000 1.081) 5.293 16.748 ( 2.274 0.000 -0.459) 2.320 16.790 ( -2.104 0.000 -1.163) 2.404 17.771 ( 38.363 0.000 -18.523) 42.601 18.301 ( -20.775 0.000 -24.530) 32.146 18.561 ( -0.009 0.000 -10.504) 10.504 18.567 ( -0.624 0.000 -10.470) 10.488 19.059 ( 2.502 0.000 -4.637) 5.269 19.122 ( -3.917 0.000 -3.880) 5.513 19.478 ( 4.595 0.000 -18.367) 18.933 19.505 ( 3.672 0.000 3.140) 4.831 19.544 ( -0.567 0.000 3.373) 3.421 19.567 ( -4.849 0.000 -17.606) 18.262 22.765 ( 4.132 0.000 30.778) 31.054 22.934 ( -15.496 0.000 27.838) 31.860 25.197 ( 13.097 0.000 -22.926) 26.403 25.366 ( -6.150 0.000 -21.230) 22.103 25.648 ( 5.516 0.000 5.725) 7.950 25.762 ( -6.800 0.000 4.332) 8.063 26.490 ( 6.072 0.000 -5.310) 8.067 26.590 ( -4.758 0.000 -5.835) 7.529 ======================= Grid point 75 (28/60) ======================= q-point: ( 0.00 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( 0.000 7.775 23.008) 24.286 1.452 ( 0.000 25.347 19.291) 31.853 1.902 ( 0.000 -1.373 3.816) 4.056 2.060 ( 0.000 35.273 1.448) 35.302 2.183 ( 0.000 22.014 15.389) 26.860 2.247 ( 0.000 22.180 13.054) 25.737 2.340 ( 0.000 46.912 0.938) 46.921 2.427 ( 0.000 19.793 1.654) 19.862 2.683 ( 0.000 -1.056 -0.263) 1.088 3.017 ( 0.000 -3.525 3.365) 4.874 3.126 ( 0.000 4.278 -0.256) 4.285 3.757 ( 0.000 0.944 -10.288) 10.331 3.879 ( 0.000 3.008 -14.828) 15.130 4.012 ( 0.000 2.876 -21.621) 21.811 4.106 ( 0.000 0.625 4.378) 4.423 4.259 ( 0.000 -2.290 1.124) 2.551 4.365 ( 0.000 -0.576 -8.537) 8.556 4.502 ( 0.000 7.678 -3.970) 8.644 4.721 ( 0.000 5.035 9.966) 11.166 4.850 ( 0.000 -9.875 -5.545) 11.326 4.995 ( 0.000 -1.101 -0.658) 1.282 5.073 ( 0.000 -1.277 -6.105) 6.237 5.118 ( 0.000 -4.554 -9.446) 10.487 5.250 ( 0.000 0.369 4.427) 4.443 5.326 ( 0.000 10.949 1.644) 11.072 5.545 ( 0.000 -0.201 8.473) 8.475 5.637 ( 0.000 -7.502 5.626) 9.377 5.812 ( 0.000 0.920 6.121) 6.190 6.034 ( 0.000 2.336 -3.928) 4.570 6.081 ( 0.000 2.238 -8.669) 8.953 6.450 ( 0.000 2.116 0.950) 2.319 6.474 ( 0.000 1.332 7.695) 7.809 6.670 ( 0.000 4.469 8.027) 9.188 6.770 ( 0.000 5.092 4.705) 6.933 6.835 ( 0.000 -4.839 -4.978) 6.943 6.854 ( 0.000 4.622 -2.936) 5.476 6.970 ( 0.000 2.198 -0.951) 2.395 7.027 ( 0.000 -4.254 8.944) 9.904 7.188 ( 0.000 7.097 -4.172) 8.233 7.398 ( 0.000 13.153 -2.639) 13.415 7.469 ( 0.000 -7.550 2.456) 7.939 7.527 ( 0.000 0.325 4.397) 4.409 7.625 ( 0.000 3.831 0.073) 3.832 7.743 ( 0.000 -2.597 -3.559) 4.406 7.991 ( 0.000 21.413 -7.952) 22.842 8.224 ( 0.000 -1.979 0.599) 2.067 8.251 ( 0.000 3.802 4.899) 6.201 8.407 ( 0.000 -11.295 4.346) 12.103 8.793 ( 0.000 0.736 -5.735) 5.782 8.880 ( 0.000 -10.325 -4.698) 11.344 9.003 ( 0.000 -1.807 -5.782) 6.057 9.136 ( 0.000 -11.904 -4.016) 12.563 9.298 ( 0.000 2.625 -1.869) 3.222 9.670 ( 0.000 10.719 -7.389) 13.019 9.703 ( 0.000 -6.068 -4.599) 7.614 9.918 ( 0.000 6.492 3.279) 7.273 10.202 ( 0.000 3.431 1.818) 3.883 10.307 ( 0.000 3.479 0.789) 3.567 10.439 ( 0.000 3.370 5.024) 6.050 10.471 ( 0.000 -4.394 -1.781) 4.741 10.810 ( 0.000 18.745 1.191) 18.782 11.021 ( 0.000 12.917 -2.992) 13.259 11.141 ( 0.000 2.062 -2.352) 3.127 11.271 ( 0.000 5.821 -1.289) 5.962 11.333 ( 0.000 7.772 0.227) 7.776 11.725 ( 0.000 -5.660 -2.735) 6.286 11.974 ( 0.000 8.176 -0.610) 8.199 12.111 ( 0.000 -3.299 0.473) 3.333 12.275 ( 0.000 -5.246 -2.821) 5.956 12.343 ( 0.000 -5.229 8.179) 9.708 12.477 ( 0.000 5.630 6.343) 8.481 12.599 ( 0.000 -0.475 -4.011) 4.039 12.898 ( 0.000 -4.428 -12.474) 13.237 13.111 ( 0.000 -7.482 -2.370) 7.849 13.365 ( 0.000 -7.107 -2.015) 7.387 13.472 ( 0.000 -7.566 -6.560) 10.014 13.693 ( 0.000 9.287 6.376) 11.266 13.853 ( 0.000 -5.547 -1.673) 5.794 14.079 ( 0.000 1.386 3.720) 3.970 14.310 ( 0.000 -3.911 -2.158) 4.467 14.427 ( 0.000 -3.770 7.730) 8.600 14.665 ( 0.000 -5.187 7.255) 8.918 14.847 ( 0.000 -34.136 16.812) 38.052 14.847 ( 0.000 -3.966 6.012) 7.202 15.567 ( 0.000 4.983 15.962) 16.721 16.171 ( 0.000 5.587 13.551) 14.658 16.284 ( 0.000 8.883 8.337) 12.182 16.440 ( 0.000 21.360 8.707) 23.066 16.566 ( 0.000 11.537 5.832) 12.927 16.949 ( 0.000 23.855 1.345) 23.893 17.497 ( 0.000 52.932 -27.091) 59.462 18.497 ( 0.000 -1.062 -16.410) 16.444 18.619 ( 0.000 3.752 -11.616) 12.207 18.782 ( 0.000 10.275 -21.360) 23.703 19.111 ( 0.000 -2.919 -0.799) 3.027 19.114 ( 0.000 0.897 -3.195) 3.319 19.363 ( 0.000 -2.563 -17.954) 18.136 19.395 ( 0.000 -1.157 0.801) 1.407 19.483 ( 0.000 -2.595 3.257) 4.164 19.637 ( 0.000 -2.774 -15.448) 15.695 22.887 ( 0.000 14.541 31.343) 34.552 23.872 ( 0.000 19.259 -3.796) 19.630 24.658 ( 0.000 7.255 -8.791) 11.398 25.464 ( 0.000 1.654 -17.482) 17.560 25.476 ( 0.000 -7.206 6.315) 9.582 25.902 ( 0.000 -3.779 2.082) 4.314 26.264 ( 0.000 -7.134 -4.483) 8.426 26.658 ( 0.000 -2.918 -6.354) 6.992 ======================= Grid point 76 (29/60) ======================= q-point: ( 0.20 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( 11.118 10.016 17.742) 23.210 1.566 ( 11.469 24.495 16.877) 31.881 2.004 ( -5.338 33.087 2.476) 33.606 2.130 ( 7.746 6.248 4.458) 10.905 2.161 ( 9.804 9.265 4.596) 14.250 2.343 ( 1.242 44.479 2.721) 44.579 2.347 ( 5.516 35.794 6.703) 36.831 2.434 ( 7.536 12.351 14.757) 20.666 2.768 ( 9.462 -0.346 -0.989) 9.520 2.979 ( -4.077 -3.072 4.045) 6.514 3.207 ( 6.208 3.289 -5.921) 9.188 3.798 ( 3.319 1.254 -9.569) 10.206 3.808 ( -5.138 1.950 -11.731) 12.955 3.992 ( -5.307 2.904 -11.517) 13.009 4.109 ( -16.170 -1.839 -2.210) 16.424 4.171 ( 1.123 -0.452 4.469) 4.630 4.257 ( -4.896 0.841 -5.015) 7.059 4.481 ( 0.948 5.871 -6.728) 8.979 4.614 ( -7.192 3.302 9.376) 12.269 4.894 ( 3.735 -7.329 -4.654) 9.451 5.023 ( 0.935 -2.556 -4.128) 4.945 5.063 ( -2.645 -1.466 -7.661) 8.237 5.118 ( -0.018 -4.061 -3.792) 5.556 5.293 ( 4.386 -0.437 4.865) 6.565 5.341 ( -2.793 6.197 0.362) 6.807 5.532 ( 3.820 1.501 3.644) 5.488 5.632 ( -1.096 -2.429 7.270) 7.743 5.813 ( -0.493 1.696 6.353) 6.594 6.068 ( 0.666 0.380 -7.744) 7.782 6.103 ( 2.143 1.226 -5.992) 6.481 6.457 ( 1.743 2.313 2.189) 3.631 6.509 ( 1.987 2.396 5.885) 6.658 6.589 ( -4.344 9.355 6.201) 12.035 6.765 ( -3.420 -2.413 -1.465) 4.435 6.836 ( 6.357 -3.953 -0.576) 7.508 6.971 ( 5.413 1.326 -0.013) 5.573 6.988 ( 2.507 2.602 0.990) 3.746 7.013 ( -0.540 -3.744 8.457) 9.264 7.211 ( 2.568 4.834 -2.556) 6.041 7.400 ( -1.257 7.547 -1.286) 7.759 7.429 ( -3.447 -3.798 -0.261) 5.136 7.448 ( -5.824 2.160 2.676) 6.764 7.650 ( -5.678 2.547 -1.633) 6.434 7.702 ( -0.038 2.896 0.590) 2.956 8.112 ( 10.428 2.806 -7.931) 13.398 8.223 ( 3.036 4.107 3.239) 6.048 8.311 ( 5.691 -2.217 2.939) 6.778 8.514 ( 9.366 -10.175 2.013) 13.975 8.781 ( -0.594 4.060 -5.111) 6.554 8.887 ( -0.638 -10.275 -4.984) 11.438 8.974 ( -1.645 -1.808 -6.194) 6.659 9.124 ( -1.532 -11.021 -5.018) 12.206 9.290 ( -0.608 2.530 -2.951) 3.934 9.619 ( -7.733 5.257 -3.135) 9.862 9.673 ( 0.884 7.526 -8.039) 11.048 9.941 ( -0.402 5.364 -1.452) 5.572 10.266 ( 7.061 4.051 1.582) 8.293 10.364 ( 4.287 -0.131 0.943) 4.391 10.416 ( 1.548 2.355 1.921) 3.411 10.526 ( 2.976 -3.307 1.823) 4.808 10.837 ( 2.781 16.618 -0.256) 16.851 11.042 ( 2.707 12.383 -2.336) 12.889 11.135 ( -1.080 2.987 -2.971) 4.349 11.248 ( -3.887 4.451 2.061) 6.258 11.343 ( 4.358 9.111 -3.197) 10.594 11.738 ( -0.819 -6.255 -2.803) 6.903 11.951 ( -9.513 -1.826 4.025) 10.490 12.062 ( 3.043 9.111 -4.611) 10.655 12.205 ( -5.705 -0.836 8.778) 10.502 12.325 ( -2.732 -2.123 -2.539) 4.292 12.375 ( -5.491 -3.023 0.310) 6.276 12.642 ( 0.012 1.818 3.755) 4.172 12.960 ( 7.045 -5.608 -10.350) 13.719 13.184 ( 5.668 -7.998 -5.729) 11.354 13.406 ( 2.821 -7.595 -3.431) 8.799 13.446 ( -1.676 -6.231 -5.627) 8.561 13.722 ( 2.448 6.015 6.869) 9.453 13.839 ( -0.888 -6.829 0.025) 6.886 14.083 ( -0.180 3.447 4.175) 5.417 14.283 ( -5.423 -0.278 2.705) 6.066 14.335 ( -1.759 -7.747 7.344) 10.819 14.660 ( -1.885 -8.190 9.506) 12.688 14.811 ( -0.614 -9.996 5.935) 11.642 14.882 ( -0.253 -16.570 8.721) 18.726 15.579 ( 2.795 6.877 16.771) 18.340 16.189 ( -9.040 9.984 6.476) 14.945 16.319 ( 8.032 4.811 6.914) 11.639 16.422 ( -0.874 22.035 8.398) 23.597 16.610 ( 5.335 3.993 8.787) 11.028 16.911 ( -3.669 21.120 2.212) 21.550 17.671 ( 18.199 45.378 -26.801) 55.756 18.472 ( -3.126 -0.374 -17.768) 18.045 18.619 ( 0.079 4.484 -11.424) 12.273 18.759 ( -2.827 11.300 -19.400) 22.629 19.045 ( -1.928 -0.899 -3.930) 4.469 19.154 ( -0.566 -1.653 -2.561) 3.100 19.372 ( 1.539 -3.197 -14.213) 14.650 19.437 ( 4.277 -0.400 -2.245) 4.847 19.500 ( 1.036 -3.026 2.053) 3.801 19.617 ( -2.062 -2.219 -14.984) 15.288 22.887 ( 0.477 15.452 30.328) 34.041 23.535 ( -26.108 20.929 10.672) 35.122 24.920 ( 19.120 4.437 -17.622) 26.377 25.447 ( -2.250 1.664 -18.267) 18.480 25.508 ( 3.531 -6.968 6.316) 10.046 25.839 ( -6.022 -4.489 2.528) 7.925 26.326 ( 5.865 -6.230 -4.742) 9.783 26.632 ( -2.866 -3.207 -6.245) 7.583 ======================= Grid point 77 (30/60) ======================= q-point: ( 0.40 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( 13.192 16.201 11.245) 23.727 1.777 ( 9.711 19.953 12.825) 25.630 1.867 ( -8.920 29.338 5.332) 31.124 1.982 ( -10.758 14.406 7.940) 19.655 2.349 ( 0.371 45.412 0.878) 45.422 2.355 ( -0.188 42.415 1.008) 42.427 2.585 ( 19.578 -2.217 4.213) 20.149 2.786 ( 13.339 1.870 6.812) 15.094 2.872 ( 4.125 2.747 6.409) 8.101 3.076 ( 23.989 -0.197 -0.322) 23.992 3.201 ( -11.043 5.520 -7.543) 14.468 3.610 ( -30.085 -1.032 -2.571) 30.213 3.732 ( -0.608 1.381 -2.588) 2.995 3.828 ( -8.363 2.106 -4.871) 9.904 3.941 ( 6.985 1.528 -3.773) 8.084 4.095 ( -8.610 0.264 -3.686) 9.370 4.320 ( 7.845 0.082 3.696) 8.673 4.461 ( -7.227 0.561 3.326) 7.975 4.630 ( 11.218 3.235 -5.204) 12.782 4.856 ( -11.843 0.277 -3.320) 12.303 4.989 ( 4.318 -5.844 -7.618) 10.527 5.067 ( -3.280 -6.772 -7.500) 10.624 5.152 ( 5.484 1.011 -1.640) 5.813 5.252 ( -5.084 2.813 -0.144) 5.812 5.404 ( 6.417 -1.757 3.455) 7.497 5.514 ( -5.322 -4.943 2.751) 7.766 5.696 ( 6.028 5.326 5.911) 9.982 5.781 ( -3.210 3.256 5.673) 7.286 6.078 ( 0.936 1.446 -7.455) 7.651 6.103 ( -1.465 1.357 -6.611) 6.906 6.488 ( 1.681 1.562 4.374) 4.939 6.516 ( -0.859 1.933 4.840) 5.282 6.596 ( 3.365 4.404 0.757) 5.594 6.674 ( -5.220 0.750 -1.051) 5.378 6.962 ( 3.630 0.236 2.487) 4.406 6.990 ( -0.546 4.264 2.115) 4.791 7.058 ( 7.011 -6.503 5.763) 11.165 7.087 ( 5.145 -5.205 1.272) 7.428 7.250 ( -0.565 2.918 -2.914) 4.162 7.288 ( -7.500 -0.531 1.251) 7.622 7.350 ( -0.802 -1.106 1.143) 1.781 7.412 ( -3.957 0.231 -3.177) 5.080 7.574 ( 1.137 11.397 1.231) 11.520 7.651 ( -5.054 8.670 1.360) 10.127 8.223 ( 3.981 -2.015 0.496) 4.490 8.270 ( -0.557 -2.862 2.148) 3.622 8.510 ( 12.701 -13.232 -0.087) 18.341 8.634 ( 1.207 -17.652 0.798) 17.711 8.779 ( -0.248 2.418 -1.749) 2.994 8.820 ( -4.595 -3.073 -5.982) 8.145 9.012 ( 4.866 -3.833 -7.111) 9.431 9.084 ( -2.762 -8.142 -6.838) 10.985 9.307 ( 3.969 8.045 -5.280) 10.409 9.449 ( -10.205 11.834 -4.739) 16.329 9.734 ( 5.849 9.395 -7.846) 13.566 9.862 ( -7.188 7.920 -6.290) 12.407 10.401 ( 5.499 5.321 3.478) 8.405 10.426 ( 2.391 1.100 1.063) 2.839 10.484 ( 3.966 -2.479 1.327) 4.862 10.542 ( -1.604 -3.892 1.815) 4.584 10.930 ( 7.819 10.105 -1.851) 12.910 11.077 ( -6.449 6.855 -2.605) 9.766 11.106 ( 3.423 11.338 -1.148) 11.899 11.163 ( -3.654 6.665 0.837) 7.647 11.509 ( 12.619 4.619 -4.632) 14.214 11.683 ( -3.963 -4.756 -2.614) 6.720 11.816 ( -5.424 -0.030 2.140) 5.831 11.876 ( -13.159 5.366 -0.571) 14.223 12.283 ( -0.756 -2.948 -4.721) 5.617 12.298 ( -1.474 -4.727 -0.617) 4.990 12.360 ( 12.313 5.523 8.631) 16.019 12.564 ( -8.458 3.708 7.321) 11.785 13.103 ( 7.789 -6.954 -9.837) 14.345 13.219 ( -3.680 -8.548 -10.930) 14.355 13.414 ( 2.576 -5.717 -1.600) 6.472 13.462 ( -0.653 -6.139 -4.980) 7.932 13.769 ( 3.449 -2.642 7.707) 8.847 13.827 ( -1.690 -6.825 3.177) 7.715 14.088 ( 2.166 5.647 4.241) 7.386 14.167 ( -5.899 4.123 4.392) 8.431 14.415 ( 8.460 -10.119 7.098) 14.979 14.575 ( -7.616 -10.896 10.104) 16.698 14.817 ( 1.134 -6.748 3.697) 7.778 14.850 ( -2.389 -9.142 4.778) 10.588 15.700 ( 10.775 6.954 15.346) 19.999 15.948 ( -15.389 6.570 11.370) 20.230 16.400 ( 1.759 22.187 2.394) 22.385 16.416 ( -0.290 19.355 5.087) 20.015 16.730 ( 6.526 0.821 7.354) 9.866 16.832 ( -4.932 12.055 4.172) 13.677 18.058 ( 21.358 23.909 -25.344) 40.867 18.357 ( -10.848 5.891 -22.094) 25.309 18.632 ( 1.659 7.094 -11.454) 13.575 18.687 ( -4.298 11.143 -14.280) 18.616 19.052 ( 2.281 -0.895 -5.222) 5.768 19.109 ( -3.532 -1.365 -4.266) 5.704 19.423 ( 3.781 -4.198 -12.612) 13.820 19.488 ( -2.576 -4.235 -5.419) 7.344 19.519 ( 3.907 -0.173 -3.285) 5.108 19.574 ( -2.460 -0.607 -8.854) 9.209 22.934 ( 5.801 17.937 27.798) 33.587 23.132 ( -16.805 20.646 22.792) 35.045 25.207 ( 12.292 1.629 -20.167) 23.674 25.372 ( -6.348 1.102 -18.969) 20.033 25.596 ( 6.007 -5.833 4.722) 9.612 25.716 ( -7.056 -5.165 3.502) 9.420 26.445 ( 6.752 -4.992 -5.375) 9.970 26.557 ( -5.347 -3.959 -5.924) 8.908 ======================= Grid point 80 (31/60) ======================= q-point: ( 0.00 0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( 0.000 10.130 16.820) 19.635 1.842 ( 0.000 3.062 7.510) 8.110 1.899 ( 0.000 13.220 19.728) 23.748 2.407 ( 0.000 6.120 -0.315) 6.128 2.603 ( 0.000 8.964 1.233) 9.048 2.652 ( 0.000 -2.142 0.021) 2.142 2.787 ( 0.000 34.903 7.975) 35.802 3.044 ( 0.000 12.917 2.774) 13.212 3.099 ( 0.000 35.240 4.158) 35.485 3.181 ( 0.000 22.601 0.977) 22.623 3.381 ( 0.000 37.067 -0.241) 37.067 3.731 ( 0.000 -2.008 -7.268) 7.540 3.956 ( 0.000 5.008 -12.745) 13.694 4.034 ( 0.000 -0.865 -10.218) 10.255 4.192 ( 0.000 8.957 -6.274) 10.936 4.210 ( 0.000 -3.104 -1.868) 3.623 4.338 ( 0.000 -1.812 -7.560) 7.774 4.634 ( 0.000 4.238 -2.333) 4.838 4.656 ( 0.000 -11.158 -7.391) 13.384 4.801 ( 0.000 1.853 4.999) 5.331 4.929 ( 0.000 -5.483 -9.274) 10.773 5.001 ( 0.000 -7.019 -3.572) 7.876 5.052 ( 0.000 -0.739 1.518) 1.688 5.267 ( 0.000 3.211 2.743) 4.223 5.416 ( 0.000 -4.602 2.152) 5.080 5.547 ( 0.000 1.688 4.001) 4.343 5.635 ( 0.000 8.576 2.810) 9.024 5.865 ( 0.000 4.436 5.624) 7.163 6.058 ( 0.000 -0.984 -5.280) 5.371 6.118 ( 0.000 0.903 -6.882) 6.940 6.471 ( 0.000 -0.477 0.257) 0.542 6.504 ( 0.000 3.789 9.515) 10.241 6.694 ( 0.000 -6.683 -3.638) 7.609 6.721 ( 0.000 -4.540 2.697) 5.280 6.779 ( 0.000 -0.516 8.835) 8.850 6.969 ( 0.000 0.016 3.567) 3.567 6.999 ( 0.000 4.293 7.524) 8.663 7.009 ( 0.000 6.954 2.795) 7.494 7.300 ( 0.000 5.190 -6.780) 8.539 7.333 ( 0.000 -6.784 2.348) 7.179 7.393 ( 0.000 -4.788 -0.968) 4.885 7.612 ( 0.000 -3.936 -0.296) 3.947 7.699 ( 0.000 3.942 1.658) 4.277 7.872 ( 0.000 20.389 4.954) 20.982 8.079 ( 0.000 -2.252 -1.204) 2.554 8.163 ( 0.000 -10.436 5.001) 11.572 8.196 ( 0.000 -5.813 0.902) 5.883 8.356 ( 0.000 4.177 4.038) 5.810 8.614 ( 0.000 -15.597 -6.834) 17.029 8.883 ( 0.000 -10.520 0.876) 10.556 8.885 ( 0.000 -13.376 -2.946) 13.697 8.979 ( 0.000 2.436 5.326) 5.857 9.276 ( 0.000 4.344 -14.215) 14.864 9.659 ( 0.000 -0.839 -7.485) 7.532 9.751 ( 0.000 -2.245 -8.879) 9.158 9.950 ( 0.000 -4.357 -4.650) 6.372 10.285 ( 0.000 5.850 1.126) 5.957 10.380 ( 0.000 -0.955 4.026) 4.138 10.493 ( 0.000 11.366 3.036) 11.765 10.570 ( 0.000 10.451 3.555) 11.040 11.174 ( 0.000 10.376 -2.293) 10.626 11.281 ( 0.000 9.368 0.472) 9.379 11.316 ( 0.000 20.748 -3.486) 21.039 11.344 ( 0.000 3.414 0.554) 3.459 11.554 ( 0.000 14.349 -4.158) 14.939 11.613 ( 0.000 -5.776 -2.051) 6.129 12.037 ( 0.000 0.707 -0.515) 0.875 12.170 ( 0.000 -4.819 -1.465) 5.037 12.199 ( 0.000 10.521 3.281) 11.020 12.233 ( 0.000 -5.597 5.789) 8.052 12.576 ( 0.000 -1.645 -4.937) 5.204 12.588 ( 0.000 4.236 8.015) 9.066 12.807 ( 0.000 -3.513 -14.766) 15.179 12.914 ( 0.000 -12.176 -2.018) 12.342 13.202 ( 0.000 -9.457 -1.496) 9.574 13.296 ( 0.000 -10.207 -7.559) 12.702 13.726 ( 0.000 -6.686 -3.413) 7.506 13.892 ( 0.000 10.709 5.761) 12.161 13.997 ( 0.000 -10.875 -1.814) 11.025 14.275 ( 0.000 -1.426 7.809) 7.938 14.343 ( 0.000 -4.577 7.799) 9.043 14.364 ( 0.000 -12.062 14.866) 19.144 14.579 ( 0.000 -4.695 6.535) 8.047 14.757 ( 0.000 -5.576 5.448) 7.795 15.689 ( 0.000 7.401 17.219) 18.742 16.115 ( 0.000 -5.795 19.268) 20.121 16.450 ( 0.000 7.376 5.325) 9.098 16.704 ( 0.000 2.674 8.123) 8.551 17.150 ( 0.000 44.652 5.094) 44.941 17.552 ( 0.000 35.981 3.457) 36.147 18.346 ( 0.000 29.790 -26.884) 40.127 18.543 ( 0.000 6.332 -11.164) 12.834 18.713 ( 0.000 5.674 -12.487) 13.715 18.901 ( 0.000 -1.471 -16.683) 16.748 19.056 ( 0.000 -0.322 -2.968) 2.985 19.135 ( 0.000 1.218 -5.234) 5.374 19.295 ( 0.000 -4.154 -16.853) 17.357 19.359 ( 0.000 -2.743 -2.032) 3.414 19.420 ( 0.000 -3.331 1.588) 3.690 19.565 ( 0.000 -4.552 -13.329) 14.085 23.317 ( 0.000 30.543 25.507) 39.793 24.354 ( 0.000 29.399 -10.706) 31.287 24.868 ( 0.000 13.898 -7.127) 15.619 25.237 ( 0.000 -17.256 7.524) 18.825 25.544 ( 0.000 5.166 -13.096) 14.078 25.788 ( 0.000 -6.850 -2.054) 7.152 26.053 ( 0.000 -15.055 -4.938) 15.844 26.534 ( 0.000 -10.753 -7.121) 12.898 ======================= Grid point 81 (32/60) ======================= q-point: ( 0.20 0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( 14.053 11.933 13.138) 22.638 1.990 ( 11.166 17.575 18.302) 27.722 2.095 ( 21.849 -3.075 4.636) 22.546 2.414 ( -0.484 9.610 1.423) 9.727 2.571 ( -3.156 12.494 2.606) 13.147 2.661 ( 3.462 6.380 2.202) 7.585 2.850 ( 7.258 21.417 3.645) 22.905 2.964 ( -4.720 13.578 5.654) 15.447 3.179 ( 2.958 35.039 1.902) 35.215 3.216 ( 4.268 25.282 0.126) 25.640 3.401 ( 2.481 30.304 -2.107) 30.478 3.780 ( 4.317 -1.348 -7.145) 8.456 3.866 ( -7.531 3.914 -12.653) 15.236 4.027 ( -3.884 -0.499 -4.316) 5.828 4.081 ( -16.538 -0.792 -2.573) 16.756 4.211 ( -0.369 6.415 -0.297) 6.433 4.252 ( -2.666 -1.484 -7.502) 8.099 4.601 ( -4.724 3.599 -7.258) 9.378 4.648 ( -0.548 -1.174 -0.683) 1.465 4.769 ( 0.989 -4.790 0.668) 4.936 4.918 ( 1.102 -9.072 -10.602) 13.997 5.015 ( -3.461 -0.367 -3.591) 5.001 5.068 ( 2.460 -3.333 4.445) 6.076 5.273 ( 0.961 0.716 2.445) 2.723 5.430 ( 0.385 -5.866 0.498) 5.900 5.461 ( -5.842 4.140 1.456) 7.307 5.715 ( 5.331 6.266 3.762) 9.046 5.870 ( 0.103 4.018 5.336) 6.681 6.053 ( 0.182 -2.057 -6.268) 6.600 6.136 ( 0.991 1.652 -7.182) 7.436 6.481 ( 0.927 -0.715 0.923) 1.490 6.546 ( 2.421 1.804 5.086) 5.915 6.706 ( 0.389 -0.990 1.957) 2.227 6.712 ( -1.552 -4.413 1.775) 5.004 6.781 ( 3.394 1.324 6.864) 7.771 6.926 ( -0.944 1.800 6.940) 7.231 6.990 ( 1.909 -0.293 3.153) 3.698 7.088 ( 2.073 4.890 1.570) 5.539 7.252 ( -2.364 0.122 -0.736) 2.479 7.321 ( -2.153 -6.343 -2.505) 7.152 7.384 ( -1.540 1.233 -0.055) 1.974 7.591 ( -4.983 1.454 -0.866) 5.263 7.740 ( 4.964 1.667 3.034) 6.052 7.854 ( -1.349 16.604 3.417) 17.006 8.044 ( -1.165 -6.621 2.350) 7.121 8.159 ( 2.986 -3.601 0.673) 4.726 8.274 ( 3.171 -13.498 0.745) 13.885 8.346 ( -0.931 4.165 4.097) 5.916 8.635 ( 1.443 -15.081 -4.459) 15.792 8.818 ( -5.709 -10.921 1.010) 12.365 8.877 ( -0.572 -10.608 0.114) 10.624 8.988 ( -0.355 -3.736 1.907) 4.210 9.326 ( 5.633 8.114 -14.716) 17.723 9.648 ( -1.106 1.125 -8.785) 8.925 9.802 ( 4.517 0.017 -6.874) 8.226 9.972 ( 1.390 -3.438 -5.195) 6.383 10.328 ( 4.444 3.051 2.388) 5.895 10.400 ( 2.517 1.565 3.040) 4.245 10.497 ( 0.915 8.245 3.704) 9.085 10.579 ( 0.566 9.522 3.498) 10.160 11.189 ( -3.841 11.257 -1.033) 11.939 11.250 ( 3.891 6.669 -2.303) 8.057 11.305 ( 1.326 13.052 -1.105) 13.166 11.382 ( -0.081 14.318 -1.089) 14.360 11.522 ( -2.429 5.492 -3.775) 7.093 11.634 ( 1.025 -0.582 -2.843) 3.078 11.968 ( -5.452 5.197 1.110) 7.614 12.117 ( -6.536 -3.598 -0.184) 7.463 12.213 ( -0.778 -4.823 2.229) 5.370 12.295 ( 8.395 7.921 5.014) 12.584 12.397 ( -10.508 3.201 -3.625) 11.567 12.660 ( 0.408 -1.175 3.324) 3.549 12.843 ( 5.527 -5.753 -9.668) 12.535 12.995 ( 5.189 -9.701 -6.494) 12.775 13.223 ( 1.912 -10.959 -3.467) 11.653 13.299 ( 0.639 -8.816 -6.221) 10.809 13.701 ( -1.821 -6.179 -0.152) 6.444 13.839 ( -5.246 5.428 7.596) 10.709 14.036 ( 3.760 -11.133 -1.283) 11.821 14.216 ( -2.307 0.687 7.688) 8.056 14.323 ( -2.612 0.290 7.372) 7.826 14.394 ( 0.669 -10.906 12.019) 16.243 14.623 ( 3.616 -6.508 5.554) 9.289 14.744 ( -1.332 -5.952 5.117) 7.961 15.722 ( 4.128 8.157 17.017) 19.317 16.212 ( 9.505 -8.194 17.763) 21.748 16.344 ( -10.995 7.719 7.306) 15.292 16.671 ( -3.673 0.796 8.857) 9.622 17.176 ( 2.921 44.245 4.809) 44.601 17.500 ( -5.394 36.641 3.737) 37.224 18.378 ( 3.061 22.983 -24.002) 33.372 18.526 ( -1.698 5.422 -12.130) 13.394 18.746 ( 3.538 9.202 -14.000) 17.123 18.923 ( 1.565 2.596 -17.042) 17.309 19.002 ( -3.049 -1.814 -4.241) 5.529 19.131 ( -1.761 -0.302 -4.878) 5.195 19.301 ( 0.920 -3.897 -14.971) 15.497 19.405 ( 4.593 -2.985 -3.405) 6.450 19.432 ( 0.347 -3.280 -0.993) 3.444 19.557 ( -0.772 -3.869 -12.102) 12.729 23.340 ( 2.900 31.802 24.262) 40.105 24.068 ( -22.743 32.957 0.985) 40.055 25.055 ( 12.638 6.695 -10.167) 17.547 25.294 ( 6.202 -12.792 3.666) 14.681 25.511 ( -3.704 2.276 -11.068) 11.892 25.710 ( -6.475 -6.120 -3.547) 9.590 26.141 ( 7.664 -13.281 -5.293) 16.221 26.504 ( -3.292 -10.824 -7.021) 13.315 ======================= Grid point 82 (33/60) ======================= q-point: ( 0.40 0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( 14.281 13.235 9.976) 21.878 2.088 ( -5.169 12.013 9.908) 16.407 2.401 ( 2.512 21.329 5.454) 22.158 2.452 ( 4.570 13.771 2.156) 14.668 2.545 ( 10.184 5.528 6.907) 13.490 2.777 ( -7.265 8.580 2.650) 11.550 2.973 ( 21.983 5.837 4.807) 23.247 3.076 ( 13.180 9.313 -1.236) 16.186 3.205 ( 0.587 28.676 -2.794) 28.818 3.281 ( 3.793 34.287 1.889) 34.548 3.403 ( -6.962 24.407 -3.845) 25.670 3.589 ( -27.103 0.478 -2.545) 27.227 3.765 ( -2.058 1.871 -5.520) 6.181 3.853 ( -5.615 -0.364 -4.427) 7.160 3.974 ( 5.206 3.361 -1.370) 6.346 4.125 ( -8.420 5.483 -2.588) 10.376 4.320 ( 7.721 -0.873 2.317) 8.109 4.471 ( -8.312 -0.214 1.503) 8.449 4.719 ( 7.611 4.653 -6.799) 11.216 4.825 ( 2.127 -7.885 -4.327) 9.242 4.895 ( -5.090 -3.763 -9.498) 11.414 4.916 ( -4.015 -4.158 -4.563) 7.365 5.148 ( 6.506 -2.022 2.717) 7.335 5.262 ( -4.284 -2.457 3.175) 5.871 5.390 ( -0.272 0.966 -1.586) 1.877 5.417 ( -1.772 -1.934 0.010) 2.623 5.794 ( 3.569 2.728 4.034) 6.037 5.850 ( -2.408 2.551 4.230) 5.495 6.083 ( 2.892 0.399 -7.063) 7.642 6.131 ( -1.760 2.222 -7.533) 8.048 6.503 ( 1.792 -1.428 1.703) 2.855 6.545 ( -2.161 -1.771 1.469) 3.157 6.675 ( -0.644 2.668 3.149) 4.178 6.688 ( -1.476 3.462 3.553) 5.176 6.924 ( 7.184 -5.559 6.050) 10.914 6.961 ( 3.642 -0.733 2.553) 4.507 7.016 ( 0.467 -1.708 5.900) 6.160 7.070 ( -2.980 3.594 0.198) 4.673 7.250 ( 2.294 -1.428 -0.823) 2.825 7.291 ( -0.514 -1.756 -2.066) 2.760 7.357 ( -0.402 4.075 0.639) 4.145 7.445 ( -9.339 4.129 0.932) 10.253 7.808 ( 2.012 7.716 3.384) 8.662 7.832 ( -1.090 12.727 2.462) 13.009 8.107 ( 6.434 -13.849 0.658) 15.285 8.193 ( -1.368 -7.394 0.822) 7.565 8.306 ( 1.636 -10.973 0.245) 11.097 8.332 ( -0.728 0.075 2.481) 2.586 8.647 ( 0.782 -12.760 0.387) 12.790 8.705 ( -5.692 -10.792 2.917) 12.545 8.897 ( 2.747 -9.559 -1.303) 10.031 8.954 ( -2.995 -8.247 -1.010) 8.832 9.459 ( 8.265 9.067 -13.051) 17.912 9.592 ( -5.621 5.387 -10.856) 13.360 9.890 ( 4.972 2.481 -4.213) 6.973 9.964 ( -2.586 0.398 -4.558) 5.255 10.418 ( 4.369 -0.403 3.941) 5.898 10.448 ( 1.304 1.437 2.807) 3.412 10.535 ( 2.861 5.994 3.313) 7.422 10.575 ( -1.263 8.349 3.051) 8.978 11.164 ( 2.947 8.614 -1.740) 9.269 11.261 ( -5.163 6.283 -0.241) 8.136 11.340 ( 2.390 13.887 -0.866) 14.118 11.376 ( -0.595 17.853 -1.949) 17.969 11.520 ( 4.028 -4.506 -5.067) 7.887 11.618 ( -3.878 -0.036 -4.877) 6.231 11.896 ( -0.560 9.309 1.254) 9.410 11.973 ( -7.532 4.415 2.406) 9.056 12.205 ( 0.668 -3.829 -2.279) 4.505 12.253 ( -5.028 0.864 -5.041) 7.172 12.475 ( 9.802 4.774 6.443) 12.664 12.614 ( -5.276 -0.213 4.874) 7.186 12.960 ( 6.080 -6.622 -10.546) 13.858 13.035 ( -1.385 -8.569 -10.383) 13.534 13.263 ( 2.986 -9.803 -2.598) 10.572 13.308 ( -0.826 -9.510 -4.634) 10.611 13.692 ( 1.280 -3.919 5.312) 6.724 13.745 ( -4.356 -1.138 6.979) 8.305 14.114 ( 4.449 -9.976 0.677) 10.944 14.185 ( -2.843 -4.828 3.578) 6.648 14.301 ( 1.815 3.192 8.984) 9.706 14.365 ( -3.592 -4.004 10.139) 11.477 14.678 ( 2.373 -7.000 4.375) 8.589 14.714 ( -1.828 -6.539 4.435) 8.110 15.854 ( 10.693 8.921 15.402) 20.765 16.095 ( -14.997 8.556 11.682) 20.847 16.404 ( 10.578 -8.745 14.423) 19.909 16.570 ( -7.495 -4.129 11.089) 14.006 17.256 ( 5.889 42.154 4.342) 42.785 17.379 ( -7.331 38.882 4.075) 39.777 18.436 ( 3.104 11.718 -18.475) 22.097 18.487 ( -2.521 6.090 -14.514) 15.940 18.826 ( 4.662 11.271 -15.607) 19.808 18.899 ( -3.359 8.833 -15.118) 17.829 19.016 ( 3.307 -2.889 -7.114) 8.360 19.079 ( -3.436 -1.156 -6.178) 7.163 19.339 ( 3.290 -3.963 -13.190) 14.161 19.405 ( -3.221 -3.510 -8.058) 9.361 19.489 ( 3.896 -3.003 -4.592) 6.730 19.538 ( -1.630 -3.036 -7.483) 8.238 23.443 ( 9.154 34.508 20.488) 41.162 23.687 ( -17.907 35.777 13.175) 42.122 25.241 ( 8.766 -4.345 -4.807) 10.901 25.379 ( -4.404 -5.590 -3.698) 8.020 25.465 ( 5.349 -2.114 -7.652) 9.572 25.591 ( -6.777 -2.153 -7.198) 10.118 26.287 ( 8.002 -11.872 -6.086) 15.557 26.417 ( -6.185 -11.139 -6.695) 14.393 ======================= Grid point 85 (34/60) ======================= q-point: ( 0.00 0.43 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( 0.000 8.334 11.518) 14.217 1.776 ( 0.000 -5.413 7.574) 9.309 2.220 ( 0.000 16.145 18.401) 24.480 2.497 ( 0.000 -12.287 10.580) 16.214 2.516 ( 0.000 5.189 0.125) 5.190 2.600 ( 0.000 -3.588 0.918) 3.703 3.252 ( 0.000 7.096 -5.258) 8.832 3.281 ( 0.000 9.660 -7.023) 11.943 3.565 ( 0.000 13.152 6.240) 14.557 3.569 ( 0.000 15.087 3.715) 15.538 3.826 ( 0.000 14.825 -5.049) 15.662 3.967 ( 0.000 10.251 -6.877) 12.344 4.009 ( 0.000 0.904 -7.674) 7.727 4.065 ( 0.000 4.485 -4.634) 6.449 4.137 ( 0.000 -1.755 -9.001) 9.171 4.324 ( 0.000 -0.522 -3.940) 3.975 4.402 ( 0.000 -9.609 -4.146) 10.465 4.480 ( 0.000 19.140 -10.045) 21.616 4.565 ( 0.000 -11.019 -2.996) 11.419 4.776 ( 0.000 -1.160 2.844) 3.072 4.801 ( 0.000 -10.199 -6.830) 12.275 4.841 ( 0.000 -7.317 1.854) 7.548 5.140 ( 0.000 7.591 2.155) 7.890 5.282 ( 0.000 -7.453 2.035) 7.725 5.420 ( 0.000 12.399 -0.286) 12.403 5.588 ( 0.000 -1.236 2.471) 2.763 5.792 ( 0.000 5.427 0.706) 5.472 5.865 ( 0.000 -4.965 0.051) 4.965 6.069 ( 0.000 3.682 -3.967) 5.412 6.110 ( 0.000 -0.968 -5.494) 5.579 6.441 ( 0.000 -1.207 -2.386) 2.674 6.504 ( 0.000 -7.028 -5.199) 8.742 6.644 ( 0.000 1.818 10.813) 10.965 6.658 ( 0.000 -1.524 8.588) 8.722 6.774 ( 0.000 5.584 12.208) 13.424 6.920 ( 0.000 -5.511 8.644) 10.252 7.109 ( 0.000 4.186 7.948) 8.983 7.121 ( 0.000 2.728 6.405) 6.962 7.223 ( 0.000 -3.419 0.034) 3.419 7.233 ( 0.000 -4.683 -2.481) 5.300 7.491 ( 0.000 5.740 -7.045) 9.087 7.539 ( 0.000 -2.235 -3.264) 3.956 7.822 ( 0.000 8.620 0.115) 8.620 7.989 ( 0.000 -8.662 -0.974) 8.717 8.054 ( 0.000 4.829 4.478) 6.586 8.154 ( 0.000 3.910 -1.976) 4.381 8.199 ( 0.000 7.210 2.685) 7.694 8.312 ( 0.000 -15.691 -3.110) 15.996 8.423 ( 0.000 3.881 3.806) 5.436 8.597 ( 0.000 -14.793 5.631) 15.828 8.707 ( 0.000 -1.298 1.685) 2.127 8.844 ( 0.000 -10.890 7.741) 13.360 9.507 ( 0.000 13.591 -10.901) 17.423 9.641 ( 0.000 0.633 -7.105) 7.133 9.665 ( 0.000 -5.042 -6.293) 8.064 9.783 ( 0.000 -11.526 -9.360) 14.848 10.378 ( 0.000 2.700 3.294) 4.259 10.384 ( 0.000 1.095 4.445) 4.578 10.709 ( 0.000 8.913 5.007) 10.223 10.756 ( 0.000 5.287 2.248) 5.745 11.249 ( 0.000 1.685 -3.402) 3.796 11.293 ( 0.000 -2.683 -1.428) 3.039 11.468 ( 0.000 2.699 -1.557) 3.116 11.489 ( 0.000 -2.515 -1.465) 2.910 11.743 ( 0.000 17.399 -0.727) 17.414 11.826 ( 0.000 11.032 -2.636) 11.342 12.056 ( 0.000 -0.715 0.227) 0.750 12.102 ( 0.000 -7.218 -0.026) 7.218 12.171 ( 0.000 4.862 7.509) 8.946 12.302 ( 0.000 -3.309 9.300) 9.871 12.581 ( 0.000 1.694 -8.494) 8.662 12.596 ( 0.000 -1.447 0.523) 1.539 12.739 ( 0.000 -1.682 -5.057) 5.329 12.796 ( 0.000 -0.882 -13.102) 13.132 13.051 ( 0.000 -3.941 -0.689) 4.000 13.110 ( 0.000 -8.252 -6.404) 10.446 13.652 ( 0.000 0.446 -3.287) 3.317 13.765 ( 0.000 -10.743 -1.651) 10.869 14.076 ( 0.000 7.862 6.247) 10.042 14.175 ( 0.000 -4.095 13.346) 13.960 14.275 ( 0.000 -1.598 8.408) 8.559 14.303 ( 0.000 -2.853 4.765) 5.553 14.552 ( 0.000 2.622 5.660) 6.238 14.644 ( 0.000 -5.954 5.212) 7.913 15.838 ( 0.000 7.997 17.968) 19.667 15.986 ( 0.000 -7.456 18.690) 20.122 16.581 ( 0.000 6.392 6.165) 8.880 16.684 ( 0.000 -3.921 7.528) 8.488 17.956 ( 0.000 36.875 3.094) 37.005 18.189 ( 0.000 28.332 2.901) 28.480 18.445 ( 0.000 -11.553 -5.409) 12.757 18.597 ( 0.000 -14.175 0.158) 14.176 18.815 ( 0.000 4.349 -14.590) 15.225 18.857 ( 0.000 0.762 -18.446) 18.462 19.130 ( 0.000 8.301 -10.183) 13.138 19.162 ( 0.000 1.942 -8.182) 8.409 19.220 ( 0.000 -3.691 -12.691) 13.217 19.281 ( 0.000 -5.819 -7.096) 9.177 19.400 ( 0.000 1.950 -4.308) 4.728 19.473 ( 0.000 -4.839 -9.568) 10.722 24.003 ( 0.000 39.065 17.591) 42.843 24.701 ( 0.000 -31.568 11.079) 33.456 24.921 ( 0.000 28.431 -7.327) 29.360 25.258 ( 0.000 15.000 -4.256) 15.592 25.420 ( 0.000 -13.692 -3.950) 14.250 25.703 ( 0.000 -21.006 -5.923) 21.825 25.891 ( 0.000 16.561 -13.367) 21.283 26.248 ( 0.000 -18.469 -9.703) 20.862 ======================= Grid point 86 (35/60) ======================= q-point: ( 0.20 0.43 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( 17.810 10.434 8.514) 22.328 2.001 ( 21.219 -6.512 5.648) 22.904 2.280 ( 5.449 13.255 15.956) 21.447 2.504 ( 0.360 -9.487 8.800) 12.945 2.561 ( 5.851 5.696 3.488) 8.879 2.654 ( 7.216 -3.674 3.336) 8.758 3.245 ( 0.813 11.756 -8.482) 14.519 3.312 ( 1.109 10.547 -3.790) 11.262 3.443 ( -7.232 11.191 0.935) 13.357 3.609 ( -1.799 3.074 4.409) 5.668 3.870 ( 3.673 11.894 -3.952) 13.060 3.927 ( -9.977 2.612 -8.769) 13.537 3.955 ( -4.321 11.364 -6.274) 13.681 4.034 ( 0.464 5.631 -4.035) 6.943 4.169 ( 3.066 -2.012 -4.428) 5.750 4.218 ( -9.768 12.277 -1.898) 15.804 4.411 ( -2.655 2.381 -3.904) 5.287 4.428 ( 1.319 -4.739 -5.129) 7.107 4.613 ( 2.125 -8.853 -8.475) 12.439 4.657 ( -9.194 -8.245 -1.340) 12.422 4.810 ( 3.333 2.300 -0.120) 4.051 4.930 ( 4.926 -8.055 1.271) 9.527 5.117 ( -2.664 7.290 1.163) 7.848 5.255 ( -3.213 -6.571 1.628) 7.493 5.437 ( 1.907 11.234 -1.239) 11.462 5.568 ( -1.962 3.513 2.132) 4.554 5.752 ( -2.734 -1.821 0.261) 3.296 5.839 ( -3.373 -8.158 -0.305) 8.832 6.097 ( 4.110 7.493 -3.987) 9.430 6.172 ( 4.424 1.261 -5.419) 7.109 6.430 ( -1.496 -2.920 -3.102) 4.516 6.484 ( -2.030 -7.193 -5.335) 9.183 6.665 ( 2.312 0.971 9.831) 10.146 6.715 ( 4.754 -3.536 9.375) 11.090 6.795 ( 2.262 8.098 11.451) 14.207 6.942 ( 0.795 -5.278 8.522) 10.056 7.059 ( -1.824 6.458 5.691) 8.799 7.129 ( -0.096 -0.880 3.644) 3.750 7.209 ( -0.345 -1.046 0.002) 1.101 7.248 ( -0.223 -2.885 -1.587) 3.300 7.476 ( -0.884 5.768 -4.757) 7.528 7.574 ( 3.542 -3.623 -3.853) 6.366 7.793 ( -3.837 4.997 -0.030) 6.301 7.973 ( -0.833 -6.676 0.564) 6.751 8.012 ( -3.396 4.266 2.790) 6.125 8.122 ( -2.661 8.026 -0.246) 8.459 8.236 ( 2.714 2.064 2.308) 4.118 8.324 ( 0.660 -17.328 -1.301) 17.389 8.428 ( 0.787 5.424 3.674) 6.598 8.595 ( -0.157 -11.034 5.337) 12.258 8.678 ( -2.596 -2.927 1.509) 4.193 8.813 ( -3.197 -11.502 6.040) 13.380 9.555 ( 4.657 12.486 -10.569) 17.009 9.666 ( 2.792 1.673 -7.315) 8.006 9.733 ( 5.642 -4.868 -6.585) 9.944 9.819 ( 3.270 -10.762 -9.156) 14.503 10.407 ( 3.569 3.649 4.902) 7.077 10.426 ( 4.379 1.161 4.325) 6.263 10.679 ( -2.815 8.196 6.163) 10.634 10.737 ( -2.085 3.583 2.645) 4.918 11.240 ( -1.384 0.741 0.157) 1.577 11.292 ( 0.991 -1.928 -2.676) 3.444 11.444 ( -2.870 0.506 -2.380) 3.763 11.482 ( -1.069 -1.097 -0.758) 1.709 11.756 ( 1.045 17.762 -1.646) 17.869 11.823 ( -0.671 11.532 -1.999) 11.723 12.050 ( -2.383 -2.919 0.942) 3.884 12.089 ( -2.889 -7.069 1.643) 7.811 12.145 ( 0.808 9.841 0.700) 9.899 12.325 ( 1.616 -5.387 6.213) 8.380 12.498 ( -4.198 4.018 -4.795) 7.534 12.583 ( -2.295 -5.772 -3.989) 7.382 12.780 ( 5.651 3.455 -6.655) 9.389 12.910 ( 7.542 -3.227 -9.645) 12.661 13.036 ( -0.657 -4.485 -1.765) 4.864 13.124 ( 0.859 -8.875 -5.223) 10.334 13.651 ( 0.587 2.183 -1.024) 2.482 13.789 ( 2.245 -11.228 0.299) 11.454 13.958 ( -8.412 6.599 8.690) 13.778 14.117 ( -6.908 -9.915 9.207) 15.192 14.315 ( 5.737 5.419 7.729) 11.046 14.401 ( 5.037 -0.932 5.043) 7.188 14.543 ( -0.648 0.386 5.572) 5.623 14.627 ( -1.763 -6.115 4.990) 8.087 15.884 ( 5.296 8.720 17.656) 20.392 16.051 ( 6.872 -8.657 18.274) 21.357 16.489 ( -9.697 7.373 8.171) 14.668 16.616 ( -7.319 -5.511 9.218) 12.997 17.970 ( 1.568 36.033 2.635) 36.163 18.152 ( -3.651 28.930 2.328) 29.252 18.445 ( 0.021 -11.246 -5.576) 12.552 18.548 ( -4.023 -11.199 -2.577) 12.175 18.864 ( 4.431 -0.148 -12.014) 12.806 18.876 ( 2.078 0.232 -17.405) 17.530 19.102 ( -3.202 7.837 -9.439) 12.679 19.139 ( -3.018 1.066 -7.637) 8.280 19.236 ( 2.589 -1.414 -14.080) 14.386 19.320 ( 4.460 -5.976 -8.371) 11.210 19.417 ( 0.778 1.942 -5.904) 6.264 19.479 ( 0.334 -4.035 -9.140) 9.997 24.042 ( 4.489 39.405 16.555) 42.976 24.707 ( -15.188 27.803 0.237) 31.682 24.743 ( 2.460 -26.793 9.757) 28.620 25.245 ( -9.812 -20.644 1.284) 22.893 25.459 ( 10.320 15.840 -10.863) 21.804 25.806 ( 6.667 -10.159 -8.617) 14.896 25.879 ( 0.092 8.100 -12.131) 14.587 26.219 ( -3.184 -18.281 -9.621) 20.902 ======================= Grid point 87 (36/60) ======================= q-point: ( 0.40 0.43 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( 13.219 12.717 6.877) 19.590 2.301 ( -3.533 9.635 8.468) 13.305 2.349 ( 11.769 -8.050 4.241) 14.876 2.482 ( -3.635 -7.952 6.129) 10.678 2.801 ( 20.667 11.952 8.613) 25.380 2.947 ( 25.186 -4.248 5.436) 26.114 3.163 ( -16.056 18.705 4.338) 25.030 3.310 ( 2.521 10.910 -7.529) 13.493 3.392 ( -4.893 -1.129 -5.989) 7.815 3.501 ( -7.019 -1.380 -0.353) 7.162 3.631 ( -12.291 0.830 -8.947) 15.225 3.733 ( -14.914 -4.810 -7.480) 17.365 3.999 ( 6.529 20.052 -1.782) 21.163 4.098 ( -4.225 22.385 -2.646) 22.933 4.131 ( 9.091 12.344 1.586) 15.412 4.272 ( 7.325 -1.870 -0.611) 7.585 4.308 ( -8.132 9.986 -0.190) 12.879 4.417 ( -6.348 -4.949 -2.506) 8.431 4.563 ( 1.365 -15.821 -4.583) 16.528 4.613 ( -2.225 -15.642 -7.572) 17.521 4.902 ( 6.508 7.224 -1.444) 9.829 5.002 ( -0.949 3.749 -1.331) 4.090 5.067 ( 1.429 -3.003 1.225) 3.544 5.167 ( -6.158 -6.727 1.099) 9.186 5.480 ( 2.607 11.101 -1.143) 11.460 5.526 ( -2.463 10.121 0.601) 10.434 5.728 ( 0.518 -9.366 -0.070) 9.381 5.769 ( -3.639 -10.678 -0.490) 11.292 6.184 ( 4.623 9.300 -4.603) 11.360 6.228 ( 0.726 7.425 -5.600) 9.328 6.401 ( -0.417 -7.948 -3.590) 8.731 6.434 ( -3.139 -8.629 -4.810) 10.366 6.724 ( 3.980 3.446 9.201) 10.601 6.779 ( 0.152 2.788 9.319) 9.728 6.822 ( 2.276 -2.298 9.390) 9.931 6.902 ( -4.577 -5.318 8.849) 11.293 7.083 ( 3.740 6.495 1.956) 7.745 7.147 ( -1.445 4.281 -0.364) 4.533 7.198 ( 1.909 -3.960 0.413) 4.416 7.238 ( -1.050 -3.771 -1.441) 4.171 7.491 ( 3.523 9.970 -1.950) 10.752 7.593 ( -4.986 10.538 -1.233) 11.723 7.763 ( 4.849 -14.249 -1.247) 15.103 7.892 ( -7.200 -16.384 -1.846) 17.991 8.020 ( 2.737 12.535 4.146) 13.484 8.072 ( -2.822 11.423 1.883) 11.916 8.277 ( 1.990 -5.159 2.331) 6.000 8.314 ( -1.836 -13.507 2.179) 13.805 8.472 ( 4.179 5.074 2.788) 7.140 8.557 ( -4.407 1.129 3.259) 5.596 8.672 ( 2.667 -11.993 2.443) 12.527 8.741 ( -4.348 -12.447 3.557) 13.656 9.646 ( 4.738 10.159 -10.087) 15.080 9.698 ( -0.384 6.428 -9.323) 11.330 9.824 ( 3.941 -7.240 -6.024) 10.210 9.861 ( 0.338 -9.208 -7.634) 11.966 10.496 ( 5.304 6.237 6.723) 10.594 10.525 ( 4.579 4.574 5.461) 8.468 10.629 ( -1.483 3.014 6.772) 7.560 10.679 ( -4.283 0.193 4.018) 5.876 11.243 ( 2.861 3.118 0.118) 4.233 11.319 ( -0.782 0.888 -0.032) 1.184 11.369 ( -1.901 -4.766 -1.726) 5.414 11.435 ( -4.514 -4.580 -0.178) 6.433 11.770 ( 0.816 17.841 -2.688) 18.061 11.798 ( -1.985 15.133 -2.302) 15.436 11.995 ( -1.006 -3.293 0.907) 3.560 12.023 ( -3.189 -4.170 0.470) 5.270 12.227 ( 6.329 9.648 -4.731) 12.471 12.324 ( -2.917 5.784 -3.590) 7.406 12.466 ( 1.041 -6.098 -1.849) 6.456 12.524 ( -4.098 -8.224 -3.563) 9.855 12.907 ( 7.074 3.333 -6.312) 10.050 12.986 ( -0.768 3.107 -5.911) 6.722 13.062 ( 4.086 -10.274 -3.551) 11.613 13.121 ( -1.596 -9.366 -3.986) 10.304 13.692 ( 4.118 4.754 3.338) 7.120 13.791 ( -5.642 5.173 8.572) 11.492 13.874 ( 3.384 -10.921 2.564) 11.717 13.984 ( -7.404 -11.880 7.236) 15.758 14.403 ( 3.744 6.729 6.062) 9.800 14.445 ( -0.404 6.134 5.193) 8.047 14.548 ( 1.580 -6.298 4.952) 8.166 14.588 ( -2.386 -6.685 4.673) 8.498 16.032 ( 11.018 9.669 16.039) 21.729 16.220 ( 11.281 -9.878 16.493) 22.290 16.265 ( -13.774 9.032 12.444) 20.643 16.437 ( -11.810 -8.604 13.017) 19.569 18.012 ( 3.014 33.793 1.772) 33.974 18.077 ( -4.146 31.006 1.561) 31.321 18.452 ( 0.946 -10.754 -5.675) 12.196 18.484 ( -2.737 -10.341 -4.873) 11.755 18.928 ( 3.723 1.629 -13.702) 14.292 18.952 ( 4.299 -1.042 -10.372) 11.276 19.026 ( -3.805 2.084 -11.516) 12.306 19.065 ( -4.831 -1.609 -9.251) 10.560 19.317 ( 5.424 2.976 -13.114) 14.500 19.397 ( -1.952 1.830 -9.852) 10.209 19.411 ( 3.508 -4.189 -8.285) 9.925 19.469 ( -1.865 -3.948 -8.374) 9.444 24.173 ( 10.115 39.478 13.302) 42.869 24.407 ( -15.509 37.421 7.470) 41.191 24.857 ( 8.480 -30.449 8.730) 32.791 25.040 ( -11.442 -27.598 5.474) 30.374 25.646 ( 9.249 16.940 -13.031) 23.288 25.781 ( -5.623 16.779 -13.380) 22.185 25.997 ( 8.523 -17.858 -8.730) 21.628 26.133 ( -6.298 -17.984 -9.336) 21.219 ======================= Grid point 105 (37/60) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( 0.000 0.000 14.304) 14.304 1.709 ( 0.000 0.000 21.501) 21.501 1.740 ( 0.000 0.000 3.864) 3.864 1.831 ( 0.000 0.000 0.973) 0.973 1.868 ( 0.000 0.000 -0.311) 0.311 2.023 ( 0.000 0.000 7.426) 7.426 2.164 ( 0.000 0.000 0.057) 0.057 2.624 ( 0.000 0.000 -6.343) 6.343 2.848 ( 0.000 0.000 26.861) 26.861 3.091 ( 0.000 0.000 1.908) 1.908 3.117 ( 0.000 0.000 1.890) 1.890 3.526 ( 0.000 0.000 -10.268) 10.268 3.534 ( 0.000 0.000 -14.319) 14.319 3.572 ( 0.000 0.000 -16.137) 16.137 4.189 ( 0.000 0.000 -6.406) 6.406 4.244 ( 0.000 0.000 -4.432) 4.432 4.247 ( 0.000 0.000 8.747) 8.747 4.372 ( 0.000 0.000 0.211) 0.211 4.740 ( 0.000 0.000 -10.475) 10.475 4.850 ( 0.000 0.000 -5.634) 5.634 4.985 ( 0.000 0.000 5.510) 5.510 5.034 ( 0.000 0.000 5.505) 5.505 5.113 ( 0.000 0.000 -0.962) 0.962 5.202 ( 0.000 0.000 3.748) 3.748 5.499 ( 0.000 0.000 14.877) 14.877 5.727 ( 0.000 0.000 -3.733) 3.733 5.811 ( 0.000 0.000 -4.586) 4.586 5.827 ( 0.000 0.000 -3.901) 3.901 5.901 ( 0.000 0.000 6.249) 6.249 5.934 ( 0.000 0.000 -0.487) 0.487 6.515 ( 0.000 0.000 0.012) 0.012 6.523 ( 0.000 0.000 0.540) 0.540 6.570 ( 0.000 0.000 4.548) 4.548 6.720 ( 0.000 0.000 -8.170) 8.170 6.778 ( 0.000 0.000 -1.121) 1.121 6.907 ( 0.000 0.000 14.887) 14.887 6.921 ( 0.000 0.000 -6.963) 6.963 6.946 ( 0.000 0.000 1.444) 1.444 7.119 ( 0.000 0.000 -2.741) 2.741 7.401 ( 0.000 0.000 9.780) 9.780 7.498 ( 0.000 0.000 -1.432) 1.432 7.614 ( 0.000 0.000 3.170) 3.170 7.634 ( 0.000 0.000 -1.055) 1.055 7.648 ( 0.000 0.000 -4.404) 4.404 7.674 ( 0.000 0.000 0.774) 0.774 8.263 ( 0.000 0.000 -1.622) 1.622 8.298 ( 0.000 0.000 3.712) 3.712 8.637 ( 0.000 0.000 5.116) 5.116 8.669 ( 0.000 0.000 -18.274) 18.274 8.872 ( 0.000 0.000 -4.536) 4.536 8.957 ( 0.000 0.000 5.450) 5.450 9.180 ( 0.000 0.000 -3.105) 3.105 9.240 ( 0.000 0.000 -0.104) 0.104 9.395 ( 0.000 0.000 -6.921) 6.921 9.797 ( 0.000 0.000 2.428) 2.428 9.927 ( 0.000 0.000 2.420) 2.420 10.197 ( 0.000 0.000 3.290) 3.290 10.302 ( 0.000 0.000 2.585) 2.585 10.439 ( 0.000 0.000 -4.060) 4.060 10.479 ( 0.000 0.000 0.733) 0.733 10.736 ( 0.000 0.000 5.483) 5.483 10.852 ( 0.000 0.000 0.106) 0.106 11.079 ( 0.000 0.000 -4.931) 4.931 11.098 ( 0.000 0.000 -4.197) 4.197 11.322 ( 0.000 0.000 3.249) 3.249 11.681 ( 0.000 0.000 -9.438) 9.438 11.865 ( 0.000 0.000 2.878) 2.878 12.163 ( 0.000 0.000 1.229) 1.229 12.167 ( 0.000 0.000 -7.799) 7.799 12.548 ( 0.000 0.000 -4.177) 4.177 12.561 ( 0.000 0.000 6.773) 6.773 12.596 ( 0.000 0.000 2.372) 2.372 12.778 ( 0.000 0.000 2.211) 2.211 13.118 ( 0.000 0.000 -3.204) 3.204 13.406 ( 0.000 0.000 -1.523) 1.523 13.444 ( 0.000 0.000 -4.110) 4.110 13.790 ( 0.000 0.000 10.592) 10.592 13.883 ( 0.000 0.000 -0.360) 0.360 14.123 ( 0.000 0.000 1.707) 1.707 14.260 ( 0.000 0.000 -6.931) 6.931 14.638 ( 0.000 0.000 8.157) 8.157 14.833 ( 0.000 0.000 4.134) 4.134 15.000 ( 0.000 0.000 4.940) 4.940 15.433 ( 0.000 0.000 -7.623) 7.623 15.827 ( 0.000 0.000 18.532) 18.532 16.028 ( 0.000 0.000 3.207) 3.207 16.277 ( 0.000 0.000 -0.672) 0.672 16.408 ( 0.000 0.000 6.197) 6.197 16.711 ( 0.000 0.000 -0.063) 0.063 16.784 ( 0.000 0.000 -1.894) 1.894 16.820 ( 0.000 0.000 28.457) 28.457 18.189 ( 0.000 0.000 -11.831) 11.831 18.326 ( 0.000 0.000 -12.105) 12.105 18.351 ( 0.000 0.000 -10.646) 10.646 18.969 ( 0.000 0.000 -20.722) 20.722 19.072 ( 0.000 0.000 -0.571) 0.571 19.120 ( 0.000 0.000 -0.895) 0.895 19.279 ( 0.000 0.000 -20.094) 20.094 19.444 ( 0.000 0.000 2.065) 2.065 19.547 ( 0.000 0.000 0.422) 0.422 23.400 ( 0.000 0.000 29.039) 29.039 23.779 ( 0.000 0.000 6.159) 6.159 24.378 ( 0.000 0.000 -11.069) 11.069 25.006 ( 0.000 0.000 -22.860) 22.860 25.706 ( 0.000 0.000 8.353) 8.353 26.017 ( 0.000 0.000 5.523) 5.523 26.217 ( 0.000 0.000 -6.533) 6.533 26.527 ( 0.000 0.000 -8.256) 8.256 ======================= Grid point 106 (38/60) ======================= q-point: ( 0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( 2.868 0.000 12.794) 13.111 1.721 ( -2.024 0.000 4.372) 4.818 1.797 ( 8.345 0.000 18.716) 20.492 1.834 ( 0.312 0.000 0.881) 0.934 1.862 ( -0.548 0.000 -0.086) 0.554 2.145 ( -2.225 0.000 2.629) 3.444 2.249 ( 22.313 0.000 5.022) 22.871 2.686 ( 6.270 0.000 -6.782) 9.236 2.845 ( 0.386 0.000 15.605) 15.609 3.071 ( -5.421 0.000 -3.788) 6.614 3.077 ( -0.900 0.000 3.656) 3.765 3.551 ( 6.316 0.000 -6.038) 8.738 3.576 ( 4.683 0.000 -10.206) 11.229 3.732 ( 11.443 0.000 -9.132) 14.640 4.067 ( -12.726 0.000 -2.646) 12.998 4.188 ( -6.497 0.000 -3.021) 7.165 4.224 ( -0.200 0.000 2.058) 2.068 4.409 ( 2.546 0.000 3.354) 4.211 4.695 ( -6.014 0.000 -5.656) 8.256 4.854 ( -3.975 0.000 -12.458) 13.076 4.906 ( 1.476 0.000 7.662) 7.803 5.015 ( -0.026 0.000 2.459) 2.459 5.223 ( -0.005 0.000 1.899) 1.899 5.228 ( 3.309 0.000 3.413) 4.754 5.525 ( 3.307 0.000 13.233) 13.640 5.608 ( -2.341 0.000 -2.266) 3.258 5.801 ( -0.797 0.000 -10.132) 10.163 5.851 ( -4.837 0.000 6.951) 8.468 5.905 ( 1.201 0.000 4.103) 4.275 6.011 ( 5.358 0.000 -4.011) 6.693 6.491 ( -0.799 0.000 1.796) 1.966 6.497 ( -0.544 0.000 0.615) 0.821 6.573 ( 0.156 0.000 3.766) 3.770 6.697 ( -3.710 0.000 -6.625) 7.593 6.844 ( 7.175 0.000 -3.952) 8.191 6.925 ( 3.181 0.000 3.390) 4.649 6.968 ( 4.450 0.000 -6.692) 8.037 7.056 ( 6.849 0.000 8.329) 10.783 7.165 ( 4.708 0.000 -2.157) 5.179 7.377 ( -2.261 0.000 8.017) 8.330 7.504 ( -6.014 0.000 -0.431) 6.029 7.531 ( -6.990 0.000 3.265) 7.715 7.557 ( 0.197 0.000 -2.324) 2.332 7.590 ( -5.383 0.000 0.029) 5.383 7.782 ( 9.613 0.000 -7.751) 12.349 8.256 ( 2.455 0.000 1.080) 2.682 8.370 ( 4.398 0.000 1.031) 4.517 8.640 ( -3.779 0.000 -16.977) 17.393 8.713 ( 7.601 0.000 3.761) 8.481 8.903 ( 3.005 0.000 -4.180) 5.148 8.947 ( 0.034 0.000 6.075) 6.075 9.164 ( -1.769 0.000 -3.103) 3.572 9.219 ( -2.484 0.000 -0.729) 2.589 9.359 ( -3.335 0.000 -5.926) 6.801 9.650 ( -13.033 0.000 2.333) 13.240 9.843 ( -9.652 0.000 -1.453) 9.760 10.251 ( 7.394 0.000 2.011) 7.663 10.400 ( 2.118 0.000 0.361) 2.148 10.432 ( 8.117 0.000 2.580) 8.518 10.570 ( 4.770 0.000 -0.420) 4.788 10.765 ( 3.087 0.000 3.836) 4.924 10.886 ( 3.811 0.000 0.634) 3.863 11.060 ( -3.991 0.000 -4.037) 5.677 11.143 ( 7.077 0.000 -5.342) 8.867 11.254 ( -6.137 0.000 2.972) 6.819 11.708 ( -0.958 0.000 -12.357) 12.394 11.859 ( -0.875 0.000 3.416) 3.526 12.047 ( -8.041 0.000 0.998) 8.102 12.214 ( 2.047 0.000 -2.976) 3.612 12.439 ( -2.256 0.000 10.761) 10.995 12.478 ( -6.541 0.000 -0.586) 6.567 12.718 ( 3.793 0.000 3.807) 5.374 12.837 ( 5.870 0.000 -4.467) 7.376 13.129 ( -0.290 0.000 -6.542) 6.548 13.420 ( 0.065 0.000 -2.937) 2.937 13.442 ( 1.642 0.000 -1.377) 2.143 13.817 ( 3.094 0.000 8.705) 9.239 13.938 ( 5.505 0.000 1.161) 5.626 14.096 ( -3.030 0.000 1.723) 3.485 14.267 ( 0.085 0.000 -5.061) 5.062 14.596 ( -1.885 0.000 9.697) 9.878 14.852 ( 1.186 0.000 4.138) 4.305 14.968 ( -2.828 0.000 3.987) 4.888 15.301 ( -12.241 0.000 -2.497) 12.493 15.852 ( 3.111 0.000 17.534) 17.808 16.047 ( 1.737 0.000 3.372) 3.793 16.255 ( -2.276 0.000 0.261) 2.291 16.349 ( -6.277 0.000 7.746) 9.970 16.718 ( 0.891 0.000 0.229) 0.920 16.782 ( -0.370 0.000 -1.567) 1.610 17.122 ( 28.150 0.000 17.512) 33.152 18.162 ( -3.641 0.000 -9.385) 10.067 18.327 ( 0.050 0.000 -11.765) 11.765 18.347 ( -0.469 0.000 -10.810) 10.820 18.985 ( 1.893 0.000 -21.545) 21.628 18.998 ( -4.070 0.000 -1.167) 4.234 19.118 ( -2.962 0.000 -2.976) 4.199 19.243 ( -3.959 0.000 -20.616) 20.993 19.485 ( 4.259 0.000 2.617) 4.999 19.576 ( 2.191 0.000 0.924) 2.378 23.355 ( -3.924 0.000 26.263) 26.555 23.618 ( -13.503 0.000 11.773) 17.914 24.532 ( 13.172 0.000 -14.665) 19.712 24.995 ( -1.631 0.000 -21.953) 22.013 25.728 ( 2.405 0.000 8.234) 8.578 25.969 ( -4.420 0.000 5.709) 7.220 26.266 ( 4.526 0.000 -6.567) 7.976 26.506 ( -2.310 0.000 -8.200) 8.519 ======================= Grid point 107 (39/60) ======================= q-point: ( 0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( 4.071 0.000 9.456) 10.295 1.668 ( -3.647 0.000 6.259) 7.244 1.841 ( 0.522 0.000 0.655) 0.838 1.852 ( -0.598 0.000 0.313) 0.675 1.956 ( 8.220 0.000 14.107) 16.328 2.078 ( -5.264 0.000 8.602) 10.085 2.653 ( 16.536 0.000 -1.203) 16.580 2.788 ( 1.170 0.000 -7.702) 7.790 2.875 ( 3.043 0.000 -2.352) 3.846 2.957 ( -6.004 0.000 -8.995) 10.815 3.154 ( 14.902 0.000 6.979) 16.455 3.538 ( -17.405 0.000 -3.604) 17.774 3.729 ( 11.304 0.000 6.903) 13.245 3.860 ( -0.395 0.000 4.874) 4.890 3.883 ( 1.793 0.000 0.013) 1.793 4.031 ( -10.111 0.000 -2.455) 10.405 4.290 ( 7.583 0.000 -5.568) 9.408 4.423 ( -3.646 0.000 -2.102) 4.208 4.590 ( -0.583 0.000 -2.349) 2.420 4.706 ( -9.719 0.000 -9.825) 13.820 5.024 ( 8.106 0.000 5.636) 9.873 5.063 ( 5.003 0.000 -1.627) 5.261 5.165 ( -7.141 0.000 6.546) 9.687 5.167 ( -5.497 0.000 -1.386) 5.669 5.621 ( 6.791 0.000 10.723) 12.693 5.679 ( 6.458 0.000 -4.351) 7.787 5.746 ( -6.594 0.000 8.778) 10.979 5.769 ( -3.176 0.000 -7.061) 7.742 5.936 ( 2.998 0.000 2.730) 4.055 6.010 ( -4.050 0.000 0.660) 4.103 6.523 ( 3.437 0.000 -0.769) 3.522 6.525 ( 3.182 0.000 0.207) 3.189 6.567 ( -1.160 0.000 1.798) 2.140 6.608 ( -5.468 0.000 -3.668) 6.584 6.980 ( 6.673 0.000 -6.620) 9.400 7.014 ( 5.891 0.000 4.240) 7.258 7.037 ( 1.317 0.000 -7.412) 7.528 7.097 ( -2.141 0.000 7.549) 7.846 7.287 ( 8.662 0.000 -1.874) 8.862 7.346 ( -0.244 0.000 3.124) 3.134 7.391 ( -4.739 0.000 -0.210) 4.744 7.427 ( -2.553 0.000 4.019) 4.761 7.466 ( -9.338 0.000 -2.418) 9.646 7.472 ( -6.268 0.000 1.749) 6.507 8.090 ( 19.551 0.000 -13.795) 23.928 8.303 ( -1.344 0.000 -4.138) 4.351 8.434 ( 3.006 0.000 -0.362) 3.028 8.522 ( -7.918 0.000 -11.238) 13.747 8.870 ( 8.393 0.000 1.179) 8.475 8.950 ( 0.590 0.000 -2.258) 2.333 9.016 ( 8.777 0.000 6.045) 10.658 9.126 ( -1.575 0.000 -3.267) 3.627 9.153 ( -4.056 0.000 -2.244) 4.636 9.236 ( -12.372 0.000 1.746) 12.494 9.497 ( 0.636 0.000 -3.852) 3.904 9.630 ( -11.717 0.000 -4.904) 12.702 10.399 ( 6.611 0.000 1.458) 6.770 10.443 ( 1.420 0.000 1.994) 2.448 10.564 ( 5.194 0.000 2.293) 5.677 10.614 ( -0.189 0.000 0.528) 0.561 10.847 ( 5.913 0.000 -0.258) 5.919 10.964 ( -6.400 0.000 -3.336) 7.217 10.988 ( 7.178 0.000 1.665) 7.369 11.126 ( -7.654 0.000 2.573) 8.075 11.328 ( 12.803 0.000 -7.351) 14.763 11.571 ( -12.642 0.000 -11.142) 16.852 11.846 ( 0.561 0.000 5.345) 5.375 11.909 ( -6.298 0.000 4.595) 7.796 12.266 ( 4.060 0.000 -0.735) 4.126 12.358 ( -6.055 0.000 0.459) 6.072 12.530 ( 9.905 0.000 11.182) 14.939 12.694 ( -6.247 0.000 7.294) 9.604 12.957 ( 6.902 0.000 -9.902) 12.070 13.073 ( -5.511 0.000 -10.732) 12.065 13.440 ( 2.031 0.000 -0.999) 2.263 13.465 ( -0.073 0.000 -1.379) 1.381 13.902 ( 6.024 0.000 4.896) 7.763 14.014 ( -5.814 0.000 2.410) 6.293 14.064 ( 8.075 0.000 2.892) 8.577 14.208 ( -6.848 0.000 1.002) 6.921 14.673 ( 10.140 0.000 7.432) 12.572 14.837 ( -4.641 0.000 6.076) 7.646 14.941 ( 1.452 0.000 1.135) 1.843 15.062 ( -12.209 0.000 0.441) 12.217 15.947 ( 7.143 0.000 14.075) 15.783 16.058 ( -2.427 0.000 5.643) 6.143 16.207 ( -2.367 0.000 4.039) 4.682 16.226 ( -4.820 0.000 8.327) 9.622 16.742 ( 1.586 0.000 0.009) 1.586 16.768 ( -1.191 0.000 -0.763) 1.415 17.649 ( 26.736 0.000 4.708) 27.147 18.017 ( -13.604 0.000 -3.463) 14.038 18.329 ( 0.231 0.000 -11.219) 11.222 18.336 ( -0.586 0.000 -11.006) 11.022 18.972 ( 1.381 0.000 -3.274) 3.554 19.036 ( -4.937 0.000 -4.172) 6.464 19.043 ( 4.645 0.000 -22.490) 22.965 19.146 ( -6.195 0.000 -21.848) 22.709 19.563 ( 3.548 0.000 2.403) 4.285 19.598 ( -0.172 0.000 1.717) 1.726 23.311 ( 0.476 0.000 21.994) 21.999 23.399 ( -9.237 0.000 18.213) 20.422 24.764 ( 11.459 0.000 -18.322) 21.610 24.927 ( -6.329 0.000 -20.331) 21.294 25.790 ( 4.372 0.000 7.754) 8.902 25.879 ( -5.240 0.000 6.785) 8.573 26.357 ( 5.261 0.000 -7.295) 8.994 26.445 ( -4.268 0.000 -7.926) 9.002 ======================= Grid point 110 (40/60) ======================= q-point: ( 0.00 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( 0.000 3.442 19.459) 19.761 1.792 ( 0.000 24.316 13.658) 27.889 2.029 ( 0.000 1.503 8.267) 8.403 2.100 ( 0.000 30.612 2.287) 30.697 2.196 ( 0.000 13.178 0.153) 13.179 2.358 ( 0.000 46.663 0.642) 46.668 2.375 ( 0.000 35.893 -0.378) 35.895 2.618 ( 0.000 -0.395 -6.108) 6.121 2.840 ( 0.000 0.712 20.982) 20.994 3.084 ( 0.000 0.365 2.664) 2.689 3.146 ( 0.000 2.371 1.686) 2.909 3.557 ( 0.000 2.255 -13.315) 13.504 3.596 ( 0.000 5.087 -8.235) 9.679 3.613 ( 0.000 4.276 -15.410) 15.992 4.137 ( 0.000 -3.159 -2.748) 4.187 4.222 ( 0.000 -2.558 -4.342) 5.040 4.298 ( 0.000 2.608 4.013) 4.786 4.421 ( 0.000 4.573 -2.136) 5.048 4.668 ( 0.000 -7.093 -9.142) 11.571 4.812 ( 0.000 -4.580 -10.463) 11.422 4.995 ( 0.000 1.415 10.692) 10.785 5.032 ( 0.000 -3.131 0.981) 3.281 5.083 ( 0.000 4.821 6.483) 8.078 5.360 ( 0.000 9.797 1.208) 9.872 5.417 ( 0.000 -6.110 8.694) 10.626 5.699 ( 0.000 -2.638 5.409) 6.018 5.745 ( 0.000 -8.816 4.139) 9.739 5.837 ( 0.000 1.166 -5.943) 6.056 5.861 ( 0.000 4.629 -9.357) 10.439 6.004 ( 0.000 2.253 2.142) 3.108 6.466 ( 0.000 1.369 0.501) 1.458 6.601 ( 0.000 1.074 0.984) 1.457 6.710 ( 0.000 0.035 -3.128) 3.128 6.737 ( 0.000 1.136 -4.586) 4.725 6.869 ( 0.000 1.147 9.958) 10.024 6.919 ( 0.000 11.324 4.845) 12.317 6.978 ( 0.000 5.152 1.866) 5.479 7.078 ( 0.000 -0.831 -3.443) 3.542 7.187 ( 0.000 8.571 3.309) 9.188 7.406 ( 0.000 6.564 4.454) 7.932 7.510 ( 0.000 -3.803 0.605) 3.851 7.555 ( 0.000 1.506 -1.394) 2.052 7.639 ( 0.000 2.740 0.872) 2.876 7.754 ( 0.000 5.751 4.754) 7.462 7.801 ( 0.000 18.797 -9.149) 20.906 8.222 ( 0.000 -2.094 -2.050) 2.930 8.341 ( 0.000 4.587 3.828) 5.975 8.509 ( 0.000 -11.788 5.163) 12.869 8.684 ( 0.000 -15.842 -2.709) 16.072 8.773 ( 0.000 7.880 -12.857) 15.079 8.863 ( 0.000 -5.173 -0.249) 5.179 9.049 ( 0.000 -11.106 -3.930) 11.781 9.296 ( 0.000 -0.914 -0.240) 0.945 9.500 ( 0.000 6.346 -8.400) 10.528 9.713 ( 0.000 -6.732 4.587) 8.146 9.960 ( 0.000 0.611 0.234) 0.654 10.251 ( 0.000 3.888 2.989) 4.904 10.352 ( 0.000 6.667 3.363) 7.467 10.431 ( 0.000 -0.041 -1.872) 1.873 10.518 ( 0.000 4.336 1.992) 4.772 10.842 ( 0.000 12.825 2.024) 12.984 10.988 ( 0.000 12.226 0.005) 12.226 11.079 ( 0.000 3.240 -3.600) 4.843 11.207 ( 0.000 9.581 -4.072) 10.410 11.367 ( 0.000 3.324 2.132) 3.949 11.638 ( 0.000 -3.926 -5.988) 7.160 11.943 ( 0.000 7.451 -0.530) 7.470 12.118 ( 0.000 -3.757 1.032) 3.896 12.139 ( 0.000 -2.331 -6.401) 6.812 12.479 ( 0.000 -6.749 -2.259) 7.117 12.606 ( 0.000 3.428 4.350) 5.539 12.608 ( 0.000 0.780 3.262) 3.354 12.732 ( 0.000 -3.515 1.797) 3.948 13.050 ( 0.000 -7.076 -3.255) 7.789 13.336 ( 0.000 -6.716 -1.447) 6.870 13.358 ( 0.000 -8.287 -4.237) 9.308 13.773 ( 0.000 -5.750 -0.208) 5.754 13.903 ( 0.000 5.753 8.403) 10.184 14.092 ( 0.000 -6.206 -3.658) 7.204 14.253 ( 0.000 2.117 -2.320) 3.141 14.586 ( 0.000 -4.564 7.424) 8.714 14.786 ( 0.000 -4.472 4.022) 6.015 14.951 ( 0.000 -4.459 3.947) 5.956 15.043 ( 0.000 -24.508 3.038) 24.696 15.940 ( 0.000 6.729 19.054) 20.207 16.347 ( 0.000 26.280 6.758) 27.135 16.474 ( 0.000 7.239 5.759) 9.250 16.699 ( 0.000 23.930 5.390) 24.530 16.790 ( 0.000 3.258 21.913) 22.154 16.993 ( 0.000 25.079 4.963) 25.565 17.067 ( 0.000 33.207 -14.818) 36.363 18.168 ( 0.000 1.380 -12.420) 12.496 18.359 ( 0.000 3.302 -12.237) 12.675 18.454 ( 0.000 7.775 -12.555) 14.768 18.953 ( 0.000 -1.373 -19.290) 19.339 19.065 ( 0.000 -0.809 -1.368) 1.589 19.100 ( 0.000 -2.364 -1.225) 2.663 19.262 ( 0.000 -1.656 -19.199) 19.270 19.424 ( 0.000 -2.214 1.480) 2.663 19.521 ( 0.000 -2.843 0.444) 2.878 23.499 ( 0.000 10.798 27.533) 29.575 23.884 ( 0.000 11.714 4.088) 12.407 24.449 ( 0.000 7.817 -10.918) 13.428 25.040 ( 0.000 4.164 -21.947) 22.338 25.639 ( 0.000 -7.367 8.339) 11.127 25.982 ( 0.000 -4.224 5.571) 6.991 26.149 ( 0.000 -7.326 -6.569) 9.840 26.501 ( 0.000 -3.348 -8.471) 9.109 ======================= Grid point 111 (41/60) ======================= q-point: ( 0.20 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 3.811 11.653 15.161) 19.498 1.890 ( 8.163 19.081 13.690) 24.862 2.060 ( -3.001 28.229 3.089) 28.555 2.184 ( -0.775 9.868 2.126) 10.124 2.249 ( 19.438 3.222 5.224) 20.384 2.357 ( 0.053 45.832 0.491) 45.834 2.380 ( 0.996 37.784 0.246) 37.798 2.676 ( 5.599 -0.386 -5.688) 7.991 2.855 ( 2.279 1.518 12.142) 12.447 3.065 ( -1.650 0.712 2.757) 3.291 3.129 ( -2.585 4.562 -1.046) 5.347 3.540 ( 2.660 0.619 -10.153) 10.514 3.635 ( 4.858 2.443 -6.177) 8.229 3.772 ( 10.731 4.508 -9.577) 15.073 4.049 ( -10.843 -1.640 -1.883) 11.127 4.170 ( -5.824 -2.352 -3.141) 7.022 4.273 ( -0.126 4.047 2.682) 4.856 4.410 ( -0.712 0.533 0.161) 0.903 4.642 ( -3.494 -5.218 -7.168) 9.529 4.808 ( -1.271 -5.116 -11.819) 12.941 4.912 ( -2.538 1.059 6.762) 7.300 5.036 ( -0.502 0.569 5.853) 5.902 5.163 ( 2.386 0.736 5.964) 6.466 5.356 ( -2.829 6.829 0.898) 7.447 5.434 ( 3.749 -6.183 5.066) 8.829 5.605 ( -3.243 -3.729 3.182) 5.878 5.764 ( -0.406 -2.949 3.265) 4.418 5.850 ( -0.764 4.064 -7.413) 8.489 5.914 ( 4.604 -0.802 -1.509) 4.911 6.005 ( -0.174 0.288 -0.488) 0.592 6.483 ( 2.064 1.671 0.467) 2.697 6.588 ( -1.351 -0.595 -0.707) 1.637 6.671 ( -4.109 7.622 1.305) 8.757 6.698 ( -3.125 1.860 -3.732) 5.211 6.873 ( 4.972 -0.179 4.945) 7.015 6.991 ( 3.276 5.450 1.905) 6.638 7.022 ( 4.815 2.260 2.228) 5.767 7.129 ( 3.492 -0.978 0.001) 3.626 7.207 ( 1.379 4.144 3.730) 5.743 7.370 ( -3.450 3.716 0.924) 5.155 7.445 ( -5.251 -1.012 0.951) 5.431 7.483 ( -5.554 4.520 0.341) 7.169 7.626 ( -3.226 3.583 -0.630) 4.862 7.760 ( -1.201 7.327 3.627) 8.263 7.911 ( 12.246 15.359 -9.113) 21.654 8.268 ( 4.972 2.753 -0.660) 5.721 8.367 ( 2.893 1.232 2.341) 3.920 8.543 ( 3.425 -12.576 1.345) 13.103 8.676 ( -1.027 -16.721 -2.098) 16.883 8.759 ( -2.922 9.936 -12.520) 16.249 8.870 ( 1.942 -7.619 0.960) 7.921 9.037 ( -1.429 -10.878 -3.697) 11.577 9.271 ( -2.027 -0.636 -0.034) 2.125 9.507 ( 1.394 6.644 -7.743) 10.297 9.639 ( -7.925 1.283 4.323) 9.118 9.907 ( -6.394 3.982 -2.306) 7.878 10.303 ( 6.484 4.414 2.308) 8.176 10.407 ( 3.648 0.869 2.391) 4.447 10.447 ( 4.194 2.984 1.326) 5.315 10.561 ( 2.441 1.041 1.171) 2.900 10.841 ( 0.422 10.077 0.764) 10.114 11.024 ( 3.773 11.717 0.388) 12.316 11.065 ( -1.840 3.859 -3.691) 5.648 11.244 ( 4.696 8.791 -3.918) 10.709 11.310 ( -5.134 4.587 1.751) 7.104 11.657 ( -0.203 -4.305 -6.556) 7.846 11.942 ( -1.761 6.566 -1.951) 7.072 12.019 ( -7.693 -1.618 1.002) 7.925 12.178 ( 2.178 -3.033 -3.065) 4.831 12.412 ( -6.118 -6.446 0.077) 8.887 12.480 ( -1.553 3.791 10.415) 11.191 12.754 ( 3.500 3.141 4.482) 6.497 12.768 ( 5.290 -6.549 -5.392) 9.997 13.052 ( -1.035 -7.876 -6.603) 10.330 13.349 ( 0.209 -7.049 -3.192) 7.741 13.364 ( 2.164 -7.333 -1.396) 7.772 13.817 ( 4.438 -5.666 1.458) 7.344 13.910 ( 0.670 3.549 7.678) 8.485 14.114 ( 1.691 -2.541 -1.900) 3.595 14.243 ( -0.909 0.406 -2.630) 2.812 14.536 ( -3.132 -4.901 9.088) 10.790 14.806 ( 1.228 -4.335 4.248) 6.193 14.904 ( -4.328 -7.649 3.333) 9.399 15.006 ( -4.259 -18.078 2.311) 18.716 15.962 ( 2.750 7.146 19.074) 20.554 16.340 ( -3.006 18.083 7.590) 19.840 16.446 ( -1.216 15.822 5.194) 16.697 16.610 ( -5.755 27.555 6.660) 28.927 16.832 ( 2.769 3.785 9.821) 10.883 16.975 ( -1.683 23.886 3.899) 24.260 17.311 ( 22.397 23.702 -5.379) 33.050 18.141 ( -3.360 1.279 -11.266) 11.825 18.366 ( 0.778 3.966 -11.860) 12.529 18.454 ( -0.353 8.411 -11.934) 14.604 18.964 ( 1.411 -1.923 -20.028) 20.170 18.987 ( -4.258 -1.437 -1.893) 4.877 19.097 ( -3.018 -2.202 -3.443) 5.080 19.224 ( -4.179 -1.780 -19.815) 20.329 19.467 ( 4.328 -2.123 2.077) 5.249 19.550 ( 2.266 -2.739 0.692) 3.621 23.465 ( -2.905 11.862 25.062) 27.879 23.739 ( -12.309 13.259 9.782) 20.567 24.589 ( 12.046 6.363 -14.355) 19.790 25.028 ( -1.798 3.957 -21.178) 21.619 25.663 ( 2.640 -7.160 8.174) 11.183 25.925 ( -5.011 -5.209 5.499) 9.081 26.208 ( 5.255 -6.236 -6.372) 10.349 26.477 ( -2.618 -3.590 -8.371) 9.477 ======================= Grid point 112 (42/60) ======================= q-point: ( 0.40 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( 6.630 18.668 10.077) 22.226 1.977 ( -5.280 25.486 5.436) 26.589 2.033 ( 6.196 16.295 10.333) 20.266 2.131 ( -4.373 10.858 6.209) 13.251 2.363 ( 0.679 43.463 0.579) 43.472 2.375 ( -0.343 40.897 1.177) 40.916 2.631 ( 15.123 -0.847 -0.570) 15.158 2.763 ( 0.424 -1.009 -6.246) 6.342 2.927 ( 5.276 4.821 -2.610) 7.609 3.026 ( -4.753 6.748 -7.914) 11.435 3.158 ( 14.038 0.454 7.103) 15.739 3.531 ( -16.938 -0.999 -4.196) 17.479 3.711 ( 9.051 -1.349 3.869) 9.935 3.863 ( -3.517 0.142 4.319) 5.571 3.927 ( 3.638 3.485 0.660) 5.081 4.035 ( -7.291 -0.022 -2.101) 7.587 4.328 ( 5.592 3.584 -4.382) 7.957 4.404 ( -1.102 -1.754 -2.961) 3.614 4.578 ( -0.280 -1.323 -4.904) 5.087 4.692 ( -9.637 -1.346 -10.868) 14.587 4.963 ( 5.549 -5.157 5.841) 9.566 5.036 ( -1.089 -4.979 5.056) 7.179 5.159 ( 0.817 4.124 3.153) 5.255 5.247 ( -7.344 5.517 -0.247) 9.189 5.531 ( 5.324 -7.473 5.921) 10.920 5.592 ( -0.968 -7.983 2.482) 8.416 5.773 ( 1.931 3.499 0.185) 4.001 5.819 ( -2.493 4.187 -4.409) 6.571 5.964 ( 1.499 0.388 0.869) 1.775 5.991 ( -1.401 -1.407 -1.695) 2.610 6.530 ( 2.743 0.082 -0.487) 2.787 6.570 ( -0.835 -1.710 -2.174) 2.889 6.619 ( -1.243 7.527 2.420) 8.004 6.640 ( -2.752 4.262 -1.286) 5.233 6.980 ( 5.802 -0.925 0.804) 5.930 7.058 ( -1.839 -0.014 3.028) 3.543 7.085 ( 6.393 1.857 -0.053) 6.658 7.189 ( -3.105 2.031 -1.127) 3.878 7.202 ( 4.649 -2.374 4.919) 7.172 7.299 ( -4.827 0.687 -0.217) 4.880 7.366 ( -1.947 -0.561 0.532) 2.094 7.393 ( -4.116 5.588 1.718) 7.150 7.600 ( 2.011 11.028 0.507) 11.221 7.685 ( -5.897 10.725 0.841) 12.268 8.163 ( 12.758 3.738 -5.513) 14.392 8.307 ( -2.737 0.354 0.228) 2.769 8.483 ( 9.105 5.512 -4.026) 11.379 8.602 ( 0.940 -7.369 -7.099) 10.275 8.647 ( -2.669 -16.506 -0.207) 16.722 8.665 ( -4.583 1.565 -7.589) 9.003 8.937 ( 4.323 -9.176 -0.634) 10.163 8.999 ( -2.676 -10.676 -2.660) 11.323 9.275 ( 4.192 3.570 1.430) 5.688 9.436 ( -11.666 3.295 2.611) 12.400 9.592 ( 6.591 14.480 -5.920) 16.975 9.749 ( -9.842 10.804 -4.951) 15.430 10.444 ( 6.887 3.750 1.741) 8.033 10.481 ( 3.464 2.782 2.958) 5.338 10.516 ( 2.273 -2.541 1.792) 3.852 10.568 ( -1.940 -1.843 0.892) 2.821 10.891 ( 5.558 6.362 -1.611) 8.600 11.002 ( -5.187 5.706 -3.970) 8.673 11.106 ( 4.672 10.278 1.143) 11.347 11.199 ( -5.895 6.381 2.369) 9.004 11.391 ( 10.463 5.517 -6.407) 13.452 11.579 ( -8.548 -0.124 -7.932) 11.662 11.874 ( -3.204 3.515 2.600) 5.420 11.892 ( -4.852 -1.190 4.233) 6.548 12.225 ( 3.338 -3.827 -0.991) 5.174 12.303 ( -5.325 -5.304 0.548) 7.536 12.578 ( 9.641 4.380 10.603) 14.985 12.728 ( -5.379 2.090 6.562) 8.738 12.882 ( 6.112 -6.494 -9.427) 12.977 12.989 ( -5.442 -8.092 -10.420) 14.271 13.375 ( 2.014 -6.491 -1.607) 6.984 13.393 ( 0.418 -6.986 -1.927) 7.259 13.903 ( 3.755 -4.693 4.365) 7.429 13.925 ( 0.667 -1.686 6.368) 6.621 14.135 ( 1.581 2.858 0.372) 3.288 14.200 ( -4.409 0.203 -0.832) 4.492 14.574 ( 8.146 -8.301 7.398) 13.783 14.753 ( -8.790 -9.690 6.479) 14.599 14.864 ( 1.331 -6.568 0.587) 6.727 14.916 ( -4.392 -8.546 1.458) 9.719 16.052 ( 7.317 7.438 17.388) 20.278 16.212 ( -9.423 8.160 12.989) 18.003 16.466 ( 2.537 26.304 3.490) 26.655 16.524 ( -3.895 28.003 4.345) 28.604 16.884 ( 2.958 10.623 6.406) 12.753 16.935 ( -2.620 18.316 5.053) 19.180 17.732 ( 21.360 10.999 -5.407) 24.627 18.023 ( -10.648 3.299 -8.465) 13.997 18.390 ( 1.877 5.968 -11.202) 12.830 18.430 ( -2.201 8.326 -10.914) 13.903 18.957 ( 1.190 -1.776 -3.592) 4.180 19.011 ( -0.292 -2.497 -11.596) 11.865 19.023 ( 0.113 -2.095 -14.615) 14.765 19.123 ( -6.456 -2.260 -21.111) 22.192 19.544 ( 3.365 -2.291 1.823) 4.460 19.575 ( -0.012 -2.556 1.250) 2.845 23.440 ( 1.358 13.850 20.949) 25.150 23.535 ( -9.004 14.569 16.665) 23.897 24.804 ( 10.764 4.674 -17.788) 21.310 24.959 ( -6.165 3.903 -19.699) 21.007 25.731 ( 4.704 -6.663 7.622) 11.163 25.826 ( -5.630 -6.046 6.615) 10.584 26.312 ( 5.863 -5.132 -7.226) 10.626 26.410 ( -4.771 -4.237 -7.992) 10.227 ======================= Grid point 115 (43/60) ======================= q-point: ( 0.00 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( 0.000 4.878 16.458) 17.166 1.986 ( 0.000 -0.116 8.607) 8.607 2.258 ( 0.000 13.664 9.538) 16.664 2.459 ( 0.000 16.548 7.508) 18.172 2.576 ( 0.000 2.454 -4.039) 4.727 2.657 ( 0.000 14.266 0.799) 14.289 2.925 ( 0.000 10.621 5.032) 11.752 3.139 ( 0.000 6.218 6.240) 8.810 3.179 ( 0.000 38.471 3.315) 38.614 3.198 ( 0.000 16.224 -0.590) 16.235 3.349 ( 0.000 40.059 -2.825) 40.159 3.595 ( 0.000 1.342 -7.994) 8.106 3.715 ( 0.000 8.984 -9.049) 12.752 3.726 ( 0.000 6.963 -13.615) 15.292 4.092 ( 0.000 -0.530 -4.994) 5.022 4.137 ( 0.000 -6.526 -4.851) 8.131 4.313 ( 0.000 -0.973 2.163) 2.372 4.495 ( 0.000 -0.166 -8.473) 8.474 4.496 ( 0.000 -10.324 -6.975) 12.460 4.712 ( 0.000 -2.507 -8.562) 8.922 4.993 ( 0.000 -1.899 3.550) 4.026 5.017 ( 0.000 -0.377 12.644) 12.649 5.170 ( 0.000 1.816 8.392) 8.586 5.342 ( 0.000 1.066 3.829) 3.974 5.471 ( 0.000 -1.773 2.425) 3.004 5.613 ( 0.000 -1.254 2.159) 2.497 5.691 ( 0.000 2.604 2.521) 3.624 5.895 ( 0.000 3.940 -6.948) 7.987 5.953 ( 0.000 4.023 -7.733) 8.717 5.989 ( 0.000 -3.611 2.212) 4.234 6.448 ( 0.000 -4.223 -2.090) 4.712 6.516 ( 0.000 -8.394 -7.119) 11.006 6.776 ( 0.000 3.668 2.534) 4.458 6.780 ( 0.000 6.454 9.964) 11.871 6.940 ( 0.000 2.177 6.397) 6.757 7.008 ( 0.000 1.607 0.493) 1.681 7.078 ( 0.000 4.484 -1.726) 4.805 7.082 ( 0.000 6.538 3.185) 7.273 7.210 ( 0.000 0.962 1.029) 1.409 7.395 ( 0.000 -4.018 1.506) 4.291 7.407 ( 0.000 -5.857 3.391) 6.768 7.604 ( 0.000 -4.800 -0.866) 4.878 7.777 ( 0.000 4.920 4.591) 6.729 7.995 ( 0.000 23.520 7.225) 24.605 8.033 ( 0.000 0.999 -3.351) 3.497 8.239 ( 0.000 -10.404 3.073) 10.849 8.257 ( 0.000 -12.740 3.899) 13.323 8.445 ( 0.000 4.827 4.737) 6.763 8.456 ( 0.000 -4.959 -7.376) 8.888 8.794 ( 0.000 6.325 -6.112) 8.796 8.815 ( 0.000 -11.675 -3.460) 12.177 9.000 ( 0.000 9.706 -5.862) 11.339 9.133 ( 0.000 -11.102 -1.155) 11.162 9.543 ( 0.000 -1.561 -10.721) 10.834 9.597 ( 0.000 -5.744 2.849) 6.412 9.870 ( 0.000 -9.542 -3.226) 10.073 10.321 ( 0.000 4.640 2.461) 5.252 10.434 ( 0.000 0.553 1.181) 1.304 10.575 ( 0.000 14.025 4.476) 14.722 10.644 ( 0.000 8.189 3.104) 8.758 11.177 ( 0.000 12.513 1.911) 12.658 11.250 ( 0.000 19.529 -2.530) 19.692 11.265 ( 0.000 14.536 -1.566) 14.621 11.362 ( 0.000 -0.748 0.895) 1.167 11.457 ( 0.000 12.469 -5.025) 13.444 11.557 ( 0.000 -3.754 -3.756) 5.311 12.032 ( 0.000 -0.200 0.397) 0.445 12.117 ( 0.000 0.858 -2.096) 2.265 12.164 ( 0.000 11.183 -3.961) 11.864 12.323 ( 0.000 -8.393 -1.391) 8.507 12.572 ( 0.000 -6.305 -3.448) 7.187 12.603 ( 0.000 -1.896 5.810) 6.112 12.750 ( 0.000 3.813 6.218) 7.295 12.860 ( 0.000 -12.074 -3.200) 12.491 13.168 ( 0.000 -10.472 -4.597) 11.436 13.182 ( 0.000 -8.458 -1.450) 8.581 13.612 ( 0.000 -9.252 -5.346) 10.686 13.889 ( 0.000 -13.242 -7.996) 15.468 14.061 ( 0.000 9.454 9.061) 13.095 14.338 ( 0.000 5.119 1.326) 5.288 14.495 ( 0.000 -4.404 6.674) 7.996 14.656 ( 0.000 -14.652 7.621) 16.516 14.694 ( 0.000 -5.647 5.976) 8.222 14.849 ( 0.000 -6.027 3.055) 6.757 16.086 ( 0.000 8.491 20.079) 21.800 16.565 ( 0.000 -4.397 21.756) 22.196 16.587 ( 0.000 7.700 7.861) 11.003 16.937 ( 0.000 3.416 13.428) 13.856 17.282 ( 0.000 42.298 7.845) 43.020 17.613 ( 0.000 35.735 2.171) 35.801 17.831 ( 0.000 36.938 -21.414) 42.696 18.314 ( 0.000 14.109 -10.285) 17.460 18.439 ( 0.000 4.574 -12.664) 13.465 18.569 ( 0.000 2.340 -15.513) 15.688 18.943 ( 0.000 0.761 -15.299) 15.318 19.021 ( 0.000 -5.589 -1.433) 5.770 19.036 ( 0.000 -2.281 -3.876) 4.498 19.226 ( 0.000 -1.884 -15.928) 16.039 19.355 ( 0.000 -5.192 -0.806) 5.254 19.434 ( 0.000 -6.294 -0.280) 6.300 23.825 ( 0.000 23.439 23.004) 32.841 24.250 ( 0.000 26.592 0.358) 26.594 24.688 ( 0.000 17.241 -9.868) 19.865 25.195 ( 0.000 12.845 -19.088) 23.007 25.407 ( 0.000 -17.383 8.594) 19.391 25.823 ( 0.000 -13.226 4.727) 14.045 25.930 ( 0.000 -15.772 -6.894) 17.213 26.360 ( 0.000 -12.356 -9.272) 15.448 ======================= Grid point 116 (44/60) ======================= q-point: ( 0.20 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( 8.607 6.977 13.813) 17.707 2.181 ( 18.398 -0.363 5.588) 19.231 2.290 ( 2.008 10.775 6.809) 12.903 2.502 ( 3.324 21.074 6.856) 22.409 2.600 ( 1.251 10.763 0.440) 10.844 2.669 ( 4.146 9.771 -0.520) 10.627 2.920 ( 1.207 6.536 3.132) 7.347 3.103 ( -1.930 10.761 7.088) 13.029 3.171 ( -2.058 22.271 -2.637) 22.521 3.254 ( 3.704 32.042 2.625) 32.362 3.358 ( 1.085 35.798 -2.207) 35.883 3.583 ( -4.751 4.362 -11.251) 12.969 3.656 ( 4.462 0.933 -6.394) 7.852 3.889 ( 8.818 6.916 -8.310) 13.952 4.021 ( -8.412 0.033 -2.148) 8.682 4.092 ( -4.369 -5.194 -3.839) 7.798 4.312 ( 0.938 -0.463 2.855) 3.041 4.460 ( -2.892 3.136 -6.642) 7.894 4.501 ( -0.377 -9.233 -7.401) 11.839 4.673 ( -1.700 -7.378 -9.272) 11.971 4.951 ( -3.789 2.525 7.986) 9.192 5.015 ( -2.833 -1.806 6.816) 7.599 5.216 ( 3.814 -0.377 8.984) 9.768 5.327 ( 0.260 -0.165 1.820) 1.846 5.467 ( -0.681 -4.766 1.919) 5.183 5.500 ( -8.157 3.116 2.089) 8.978 5.768 ( 4.621 1.822 1.257) 5.124 5.912 ( 0.430 -0.898 -6.211) 6.290 5.947 ( 0.003 5.829 -5.401) 7.946 5.977 ( -0.969 -2.220 -0.356) 2.448 6.458 ( 0.808 -4.985 -2.573) 5.667 6.498 ( -1.475 -7.823 -6.405) 10.218 6.771 ( -0.411 4.507 2.751) 5.296 6.821 ( 1.725 8.450 6.203) 10.623 6.931 ( 0.694 4.643 6.324) 7.876 7.014 ( -0.147 1.386 0.349) 1.437 7.050 ( 2.495 -0.529 3.531) 4.356 7.133 ( 1.375 4.212 2.063) 4.888 7.217 ( 0.350 0.951 -0.609) 1.182 7.313 ( -4.832 -5.097 1.588) 7.201 7.409 ( -2.217 -2.613 1.901) 3.919 7.585 ( -2.745 -1.023 -0.046) 2.930 7.802 ( 2.108 5.212 2.102) 6.002 7.926 ( -3.751 11.113 2.096) 11.915 8.098 ( 2.589 6.994 3.650) 8.303 8.210 ( 1.711 -8.543 4.108) 9.633 8.287 ( 0.262 -17.628 0.542) 17.639 8.431 ( -1.011 4.145 4.029) 5.868 8.521 ( 5.139 -5.066 -5.277) 8.940 8.788 ( -2.193 -10.776 -4.043) 11.717 8.807 ( 0.610 4.281 -4.157) 5.998 8.976 ( -3.035 5.875 -5.982) 8.917 9.154 ( 3.554 -4.024 -1.734) 5.641 9.501 ( -2.946 -2.761 -6.135) 7.344 9.682 ( 6.687 -1.393 -2.218) 7.182 9.887 ( 1.110 -6.868 -3.328) 7.712 10.373 ( 5.343 4.267 2.299) 7.214 10.452 ( 2.012 2.235 1.660) 3.435 10.583 ( 1.154 11.420 4.365) 12.280 10.658 ( 0.798 7.952 3.479) 8.716 11.161 ( -4.601 19.359 -1.362) 19.944 11.231 ( 3.023 8.951 -0.173) 9.449 11.275 ( 1.091 15.090 -1.638) 15.218 11.365 ( -1.821 2.798 -0.472) 3.372 11.443 ( -0.418 9.947 -3.703) 10.622 11.576 ( 0.845 -2.388 -3.458) 4.286 11.979 ( -4.774 2.330 0.841) 5.378 12.084 ( -3.855 1.490 -1.240) 4.315 12.175 ( -1.053 5.570 -6.529) 8.647 12.268 ( -4.365 -6.948 0.290) 8.210 12.547 ( 0.939 1.514 8.435) 8.621 12.606 ( 0.982 -9.469 -4.683) 10.609 12.802 ( 1.358 -2.237 2.207) 3.423 12.872 ( 2.208 -6.153 -3.834) 7.578 13.172 ( 1.283 -10.522 -2.462) 10.882 13.205 ( 1.667 -8.645 -2.748) 9.223 13.659 ( 4.969 -8.341 -1.895) 9.892 13.946 ( 5.952 -11.763 -6.493) 14.695 14.031 ( -3.702 6.494 9.240) 11.885 14.306 ( -2.984 3.375 1.902) 4.890 14.468 ( -2.047 -1.040 6.579) 6.968 14.631 ( -3.206 -13.843 7.820) 16.220 14.711 ( 1.677 -5.364 3.333) 6.534 14.829 ( -2.037 -6.313 2.769) 7.188 16.116 ( 3.443 8.963 19.829) 22.031 16.525 ( -6.440 8.589 9.166) 14.116 16.626 ( 5.952 -4.282 20.698) 21.958 16.914 ( -2.518 3.079 13.529) 14.102 17.297 ( 2.004 42.019 6.835) 42.618 17.572 ( -4.320 35.434 2.904) 35.814 17.912 ( 8.014 31.252 -18.842) 37.362 18.277 ( -3.475 11.974 -10.901) 16.561 18.470 ( 2.897 6.867 -12.012) 14.137 18.599 ( 2.595 5.596 -14.696) 15.938 18.929 ( -2.999 -4.134 -7.581) 9.141 18.937 ( -2.294 -0.755 -11.560) 11.809 19.035 ( -2.951 -3.928 -5.025) 7.028 19.189 ( -4.371 -1.273 -17.220) 17.812 19.391 ( 3.995 -6.223 0.443) 7.408 19.467 ( 2.442 -6.013 -0.632) 6.520 23.818 ( -0.175 25.131 21.375) 32.993 24.137 ( -9.938 28.058 5.951) 30.355 24.795 ( 9.446 15.555 -13.065) 22.402 25.177 ( -2.196 12.513 -18.645) 22.562 25.436 ( 3.128 -17.092 8.242) 19.231 25.742 ( -6.314 -14.641 4.274) 16.507 26.015 ( 6.686 -14.358 -6.296) 17.044 26.333 ( -3.024 -12.458 -9.149) 15.749 ======================= Grid point 117 (45/60) ======================= q-point: ( 0.40 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( 10.721 9.697 9.579) 17.341 2.257 ( -6.642 9.634 6.361) 13.319 2.456 ( 7.449 5.760 -0.396) 9.424 2.519 ( -0.967 18.838 2.760) 19.064 2.670 ( 8.697 13.708 4.056) 16.733 2.788 ( 0.815 15.515 -1.295) 15.590 3.001 ( 8.161 6.472 -0.290) 10.420 3.117 ( -4.150 16.744 -4.011) 17.711 3.157 ( 12.297 1.444 7.509) 14.481 3.292 ( 1.440 38.788 -0.831) 38.823 3.344 ( -2.719 34.581 -2.455) 34.775 3.496 ( -13.851 -1.812 -5.238) 14.918 3.688 ( 4.114 -0.528 0.197) 4.152 3.844 ( -9.416 -1.792 2.539) 9.916 3.989 ( 4.655 3.494 1.301) 5.965 4.068 ( -0.514 5.289 -3.606) 6.422 4.344 ( 2.943 -2.997 -1.125) 4.348 4.412 ( -2.930 1.599 -4.977) 5.992 4.521 ( 4.490 -4.436 -10.968) 12.655 4.633 ( -4.852 -6.197 -11.099) 13.606 4.897 ( -0.807 0.469 6.560) 6.626 4.935 ( -4.246 -3.711 6.768) 8.809 5.260 ( 2.698 3.324 7.070) 8.265 5.348 ( -6.409 0.961 4.102) 7.669 5.391 ( 3.682 -3.670 0.919) 5.279 5.448 ( -2.007 -3.602 1.709) 4.464 5.836 ( 3.009 0.279 -0.835) 3.135 5.884 ( -2.464 -2.080 -3.019) 4.417 5.960 ( 0.515 3.486 -3.229) 4.780 5.965 ( -0.289 1.374 -4.711) 4.916 6.469 ( 0.493 -6.422 -3.699) 7.428 6.480 ( -0.637 -7.247 -5.211) 8.949 6.767 ( 0.459 7.754 3.841) 8.665 6.796 ( -2.506 9.600 4.275) 10.803 6.983 ( 3.256 1.884 1.651) 4.108 7.018 ( -0.305 -0.543 1.277) 1.421 7.123 ( 2.716 -3.372 6.244) 7.598 7.137 ( -0.174 2.696 2.942) 3.994 7.216 ( 0.870 -0.037 -2.154) 2.323 7.252 ( -2.126 -3.664 -1.166) 4.393 7.392 ( 2.122 1.901 3.073) 4.190 7.490 ( -7.043 3.074 2.817) 8.185 7.836 ( 1.736 8.259 -0.568) 8.458 7.872 ( -2.365 8.856 0.389) 9.175 8.153 ( 4.193 -9.927 3.613) 11.366 8.224 ( -2.614 -12.345 1.782) 12.744 8.321 ( 4.447 -5.335 1.832) 7.183 8.397 ( -3.193 2.414 3.751) 5.486 8.612 ( 5.253 -8.381 -2.874) 10.300 8.714 ( -5.509 -9.999 -1.671) 11.538 8.840 ( 2.872 1.762 -4.598) 5.701 8.905 ( -4.116 1.982 -5.379) 7.057 9.272 ( 8.559 2.322 -3.679) 9.601 9.419 ( -6.668 -0.381 -4.892) 8.279 9.803 ( 6.038 2.309 -3.475) 7.339 9.881 ( -2.267 -0.873 -3.539) 4.293 10.481 ( 4.890 3.332 1.991) 6.243 10.498 ( 2.254 3.955 2.160) 5.039 10.612 ( 1.787 8.484 3.999) 9.548 10.651 ( -1.827 7.863 3.785) 8.916 11.125 ( 2.358 15.134 -1.987) 15.445 11.225 ( -5.876 14.337 -3.921) 15.983 11.314 ( 1.791 11.415 -0.656) 11.573 11.327 ( 0.099 9.370 -1.310) 9.461 11.468 ( 3.689 0.922 -1.572) 4.114 11.552 ( -3.854 -1.927 -2.708) 5.089 11.912 ( -0.724 4.657 1.413) 4.920 11.976 ( -6.704 5.759 -0.700) 8.866 12.158 ( 0.561 -2.372 -2.272) 3.332 12.194 ( -3.267 -4.450 -0.103) 5.521 12.613 ( 2.609 -5.929 2.804) 7.059 12.623 ( 0.940 -11.637 -6.004) 13.128 12.818 ( 3.114 -1.092 -1.700) 3.713 12.888 ( -2.106 2.137 -0.279) 3.013 13.211 ( 2.241 -10.136 -2.196) 10.611 13.228 ( 0.511 -9.462 -2.950) 9.925 13.776 ( 7.675 -5.555 4.009) 10.288 13.922 ( -7.827 0.029 8.348) 11.443 14.085 ( 8.617 -7.765 -3.181) 12.027 14.227 ( -6.342 -0.810 0.320) 6.402 14.466 ( 2.620 -0.856 6.655) 7.203 14.548 ( -5.434 -7.557 6.565) 11.390 14.744 ( 1.981 -6.076 2.026) 6.704 14.785 ( -2.563 -6.301 2.159) 7.137 16.215 ( 7.507 9.604 18.136) 21.852 16.374 ( -9.462 9.417 14.041) 19.375 16.746 ( 6.492 -1.329 16.994) 18.240 16.848 ( -4.726 1.933 14.395) 15.273 17.362 ( 5.161 38.987 5.746) 39.745 17.471 ( -6.382 35.961 4.529) 36.803 18.072 ( 8.474 20.135 -14.466) 26.202 18.197 ( -5.498 12.937 -11.778) 18.339 18.538 ( 4.572 8.919 -12.051) 15.674 18.611 ( -2.313 10.233 -12.181) 16.076 18.898 ( 1.341 -4.615 -4.441) 6.544 18.951 ( -1.143 -3.497 -9.438) 10.130 18.971 ( 0.934 -2.656 -16.044) 16.289 19.079 ( -7.222 -1.337 -18.959) 20.332 19.463 ( 3.171 -6.556 0.088) 7.283 19.493 ( 0.005 -6.277 -0.416) 6.291 23.845 ( 3.705 28.161 17.971) 33.612 23.959 ( -8.716 29.376 13.178) 33.356 24.970 ( 9.077 13.246 -15.990) 22.661 25.106 ( -5.811 12.264 -17.552) 22.186 25.515 ( 5.434 -16.375 7.279) 18.725 25.624 ( -6.484 -15.580 5.927) 17.886 26.140 ( 6.878 -13.435 -7.675) 16.932 26.254 ( -5.525 -12.806 -8.678) 16.427 ======================= Grid point 120 (46/60) ======================= q-point: ( 0.00 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( 0.000 3.978 13.059) 13.651 1.963 ( 0.000 -2.139 10.298) 10.518 2.439 ( 0.000 6.841 0.284) 6.847 2.537 ( 0.000 -3.682 -3.473) 5.062 2.678 ( 0.000 6.816 16.437) 17.794 2.761 ( 0.000 -1.595 10.282) 10.405 3.167 ( 0.000 9.205 -3.463) 9.835 3.214 ( 0.000 2.065 1.934) 2.829 3.555 ( 0.000 18.386 -6.141) 19.385 3.648 ( 0.000 5.235 -7.363) 9.034 3.675 ( 0.000 13.221 0.192) 13.223 3.792 ( 0.000 -1.495 -6.857) 7.019 3.850 ( 0.000 4.672 -7.761) 9.058 3.923 ( 0.000 -1.078 -10.527) 10.583 4.029 ( 0.000 7.830 0.887) 7.880 4.245 ( 0.000 4.745 -2.402) 5.318 4.271 ( 0.000 -7.820 -8.830) 11.795 4.368 ( 0.000 -9.141 -12.427) 15.427 4.380 ( 0.000 16.811 -0.376) 16.815 4.699 ( 0.000 -6.601 -4.235) 7.843 4.955 ( 0.000 -1.354 8.828) 8.932 4.969 ( 0.000 -2.986 12.858) 13.200 5.197 ( 0.000 4.755 3.033) 5.640 5.341 ( 0.000 -8.515 2.884) 8.990 5.464 ( 0.000 9.595 4.391) 10.552 5.624 ( 0.000 -3.219 1.288) 3.467 5.775 ( 0.000 3.963 -1.855) 4.376 5.831 ( 0.000 -5.384 -3.625) 6.491 6.015 ( 0.000 3.454 -3.728) 5.082 6.031 ( 0.000 4.212 0.646) 4.261 6.336 ( 0.000 -5.821 -6.547) 8.760 6.339 ( 0.000 -7.708 -10.090) 12.697 6.844 ( 0.000 2.691 8.209) 8.639 6.875 ( 0.000 -0.203 10.193) 10.195 6.981 ( 0.000 5.719 6.532) 8.682 7.022 ( 0.000 0.632 1.984) 2.082 7.192 ( 0.000 5.368 2.204) 5.803 7.220 ( 0.000 4.446 2.577) 5.139 7.247 ( 0.000 0.702 1.131) 1.331 7.305 ( 0.000 -4.552 5.481) 7.125 7.395 ( 0.000 4.738 -0.591) 4.774 7.488 ( 0.000 -6.131 -1.053) 6.221 7.842 ( 0.000 2.447 1.500) 2.870 7.966 ( 0.000 -12.381 -2.127) 12.563 8.094 ( 0.000 6.652 -1.770) 6.883 8.119 ( 0.000 1.522 1.752) 2.321 8.254 ( 0.000 -2.558 2.581) 3.634 8.286 ( 0.000 -10.526 0.471) 10.536 8.511 ( 0.000 6.021 4.824) 7.716 8.716 ( 0.000 -13.995 5.348) 14.982 8.757 ( 0.000 7.869 2.923) 8.395 8.928 ( 0.000 -6.155 -1.473) 6.329 9.336 ( 0.000 17.116 -4.961) 17.821 9.493 ( 0.000 -2.229 -9.983) 10.229 9.500 ( 0.000 -3.377 -4.944) 5.987 9.636 ( 0.000 -14.281 -4.563) 14.993 10.427 ( 0.000 4.583 1.731) 4.899 10.452 ( 0.000 1.044 2.035) 2.287 10.788 ( 0.000 5.920 1.198) 6.040 10.797 ( 0.000 6.878 3.148) 7.564 11.250 ( 0.000 -0.612 2.826) 2.892 11.269 ( 0.000 -4.782 0.036) 4.783 11.457 ( 0.000 3.257 -0.157) 3.261 11.474 ( 0.000 -0.793 -0.405) 0.890 11.702 ( 0.000 18.804 -3.213) 19.076 11.770 ( 0.000 15.156 -3.116) 15.473 12.052 ( 0.000 0.231 0.001) 0.231 12.092 ( 0.000 -7.132 -0.695) 7.166 12.273 ( 0.000 6.600 -1.300) 6.727 12.340 ( 0.000 3.802 -10.070) 10.763 12.450 ( 0.000 -5.217 -4.012) 6.581 12.505 ( 0.000 -9.480 7.631) 12.170 12.699 ( 0.000 0.323 0.282) 0.429 12.768 ( 0.000 -2.392 4.246) 4.874 13.012 ( 0.000 -4.380 -3.401) 5.546 13.042 ( 0.000 -6.147 -0.574) 6.174 13.509 ( 0.000 0.820 -9.095) 9.132 13.642 ( 0.000 -11.459 -9.059) 14.607 14.239 ( 0.000 8.907 8.174) 12.089 14.381 ( 0.000 -3.592 4.405) 5.684 14.436 ( 0.000 -1.450 6.685) 6.840 14.451 ( 0.000 -4.805 9.395) 10.552 14.649 ( 0.000 1.416 3.567) 3.838 14.731 ( 0.000 -5.975 2.832) 6.613 16.256 ( 0.000 9.177 21.327) 23.217 16.427 ( 0.000 -8.553 22.662) 24.222 16.747 ( 0.000 8.523 8.864) 12.297 16.894 ( 0.000 -6.197 11.664) 13.208 18.025 ( 0.000 31.135 3.297) 31.309 18.212 ( 0.000 24.145 -1.661) 24.202 18.268 ( 0.000 8.028 -11.071) 13.676 18.495 ( 0.000 -9.338 -13.088) 16.078 18.517 ( 0.000 3.780 -11.993) 12.575 18.603 ( 0.000 4.939 -2.747) 5.652 18.879 ( 0.000 0.200 -11.066) 11.068 18.982 ( 0.000 -3.687 -7.998) 8.807 19.038 ( 0.000 5.391 -6.032) 8.090 19.172 ( 0.000 -6.297 -4.944) 8.006 19.250 ( 0.000 -2.518 -9.882) 10.198 19.301 ( 0.000 -6.435 -4.778) 8.015 24.363 ( 0.000 31.457 16.460) 35.503 24.843 ( 0.000 33.202 0.464) 33.205 24.929 ( 0.000 -21.080 9.604) 23.164 25.126 ( 0.000 16.261 -7.088) 17.739 25.405 ( 0.000 -17.494 1.472) 17.556 25.559 ( 0.000 -22.447 -7.845) 23.778 25.590 ( 0.000 14.715 -14.110) 20.386 26.022 ( 0.000 -22.481 -11.658) 25.324 ======================= Grid point 121 (47/60) ======================= q-point: ( 0.20 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( 12.384 6.278 10.002) 17.112 2.133 ( 16.085 -3.926 7.022) 17.985 2.456 ( 1.034 6.960 1.236) 7.145 2.560 ( 1.552 -4.002 -2.138) 4.795 2.776 ( 10.767 5.390 15.520) 19.643 2.816 ( 7.156 1.014 9.100) 11.621 3.128 ( -1.910 11.648 -2.297) 12.025 3.240 ( 1.494 0.862 -0.648) 1.842 3.450 ( -8.403 14.882 -2.264) 17.240 3.632 ( -6.575 1.525 -4.715) 8.233 3.691 ( 0.296 3.625 -9.432) 10.109 3.753 ( -4.560 2.123 -4.016) 6.437 3.852 ( 3.780 14.008 -4.320) 15.139 4.013 ( -0.135 7.626 0.885) 7.678 4.037 ( 8.564 -0.669 -8.441) 12.043 4.186 ( -5.066 7.850 -0.164) 9.344 4.263 ( -0.320 -8.176 -10.026) 12.941 4.366 ( -0.049 5.301 -7.344) 9.057 4.412 ( 1.385 -1.787 -3.544) 4.203 4.615 ( -6.789 -3.611 -1.081) 7.765 4.951 ( -1.349 0.221 10.471) 10.560 5.018 ( 4.217 -2.684 5.627) 7.526 5.159 ( -3.469 2.876 2.765) 5.287 5.307 ( -3.555 -9.041 2.198) 9.961 5.459 ( -0.010 10.422 3.674) 11.051 5.605 ( -2.015 1.875 1.815) 3.297 5.743 ( -2.538 -3.767 -1.043) 4.660 5.805 ( -2.864 -6.497 -2.450) 7.511 6.039 ( 2.762 6.637 -2.914) 7.757 6.068 ( 2.685 5.559 -3.115) 6.915 6.326 ( -1.265 -7.907 -7.945) 11.280 6.329 ( -0.832 -7.302 -7.205) 10.292 6.853 ( 1.196 3.835 7.419) 8.437 6.913 ( 3.206 -2.606 8.664) 9.599 6.982 ( -0.427 5.624 5.344) 7.770 7.038 ( 1.885 0.673 1.859) 2.732 7.149 ( -3.381 6.330 3.471) 7.972 7.215 ( -2.751 1.487 2.930) 4.285 7.222 ( -0.938 -0.729 0.877) 1.477 7.251 ( -3.812 -0.694 1.456) 4.139 7.416 ( 1.797 4.823 -0.126) 5.148 7.535 ( 4.571 -4.787 -0.139) 6.621 7.812 ( -3.476 -0.743 1.546) 3.876 7.949 ( -2.594 -13.659 -2.412) 14.111 8.073 ( -1.022 9.048 1.983) 9.319 8.107 ( -0.674 5.183 -0.098) 5.228 8.270 ( 1.379 -5.916 1.831) 6.345 8.317 ( 2.615 -12.367 0.503) 12.651 8.517 ( 0.667 7.694 4.801) 9.094 8.711 ( -3.924 4.108 3.321) 6.580 8.718 ( -0.043 -9.876 4.076) 10.684 8.890 ( -3.936 -7.977 0.007) 8.895 9.378 ( 4.264 16.664 -5.986) 18.212 9.492 ( 1.439 2.784 -8.657) 9.207 9.593 ( 7.022 -6.317 -5.999) 11.190 9.677 ( 3.646 -13.959 -4.443) 15.096 10.479 ( 5.507 4.745 2.211) 7.599 10.497 ( 4.876 2.094 2.437) 5.839 10.773 ( -1.256 6.347 2.480) 6.929 10.795 ( -0.825 4.665 3.260) 5.751 11.266 ( -0.335 -1.795 1.276) 2.227 11.285 ( 3.604 -1.943 2.858) 4.994 11.420 ( -2.969 3.405 -0.158) 4.520 11.480 ( -0.149 -1.358 0.261) 1.391 11.700 ( -0.303 19.274 -3.832) 19.653 11.765 ( -0.943 15.803 -3.585) 16.232 12.056 ( -1.266 -3.076 0.183) 3.332 12.082 ( 0.353 -3.856 -1.217) 4.059 12.148 ( -10.174 6.041 -1.516) 11.929 12.303 ( -4.908 0.173 -8.026) 9.409 12.420 ( -3.002 -7.074 -4.821) 9.072 12.471 ( -2.712 -8.256 0.077) 8.691 12.752 ( 5.618 3.974 2.728) 7.403 12.848 ( 6.965 -2.738 1.914) 7.724 13.007 ( 0.173 -4.302 -1.525) 4.568 13.053 ( 0.886 -6.875 -1.908) 7.190 13.578 ( 7.100 1.568 -4.858) 8.745 13.713 ( 7.357 -11.131 -6.377) 14.788 14.157 ( -8.298 6.643 9.234) 14.081 14.288 ( -7.729 -6.041 6.228) 11.620 14.471 ( 2.039 0.358 6.314) 6.644 14.500 ( 3.633 -0.319 4.219) 5.577 14.639 ( -0.856 -0.327 3.628) 3.742 14.711 ( -2.072 -5.930 2.777) 6.867 16.297 ( 4.435 9.828 20.961) 23.572 16.481 ( 5.665 -9.276 22.058) 24.591 16.698 ( -5.329 9.239 10.872) 15.230 16.860 ( -3.841 -6.990 13.138) 15.369 18.022 ( -0.082 29.711 1.812) 29.767 18.170 ( -4.092 23.919 -1.377) 24.305 18.285 ( 1.212 6.161 -8.673) 10.707 18.420 ( -4.646 -1.574 -10.167) 11.288 18.553 ( 3.260 1.008 -12.166) 12.636 18.674 ( 5.227 -5.182 -4.942) 8.865 18.897 ( 3.356 9.819 -12.310) 16.100 18.963 ( -6.740 2.697 -7.625) 10.528 18.974 ( -2.791 -1.518 -8.443) 9.021 19.199 ( 1.792 -4.514 -7.761) 9.156 19.220 ( -1.238 -4.581 -7.506) 8.881 19.331 ( 1.543 -7.636 -5.350) 9.450 24.384 ( 2.442 32.413 15.804) 36.143 24.746 ( -8.334 33.344 4.618) 34.679 24.964 ( 3.478 -23.701 10.068) 25.985 25.209 ( 6.860 17.224 -9.764) 20.954 25.323 ( -6.478 -20.535 3.059) 21.749 25.549 ( -2.394 16.991 -14.800) 22.660 25.662 ( 6.903 -20.687 -8.873) 23.544 25.994 ( -3.016 -22.351 -11.616) 25.370 ======================= Grid point 122 (48/60) ======================= q-point: ( 0.40 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.267 ( 11.716 8.808 5.563) 15.678 2.408 ( 10.350 -4.412 1.889) 11.409 2.428 ( -3.787 6.345 3.172) 8.041 2.547 ( -3.785 -4.696 0.098) 6.032 3.014 ( 14.637 10.246 8.385) 19.737 3.083 ( 18.474 1.067 3.323) 18.801 3.144 ( 4.757 11.376 1.085) 12.378 3.255 ( -0.494 9.332 -1.657) 9.491 3.298 ( -7.333 7.337 1.225) 10.446 3.463 ( -14.155 3.151 -5.465) 15.497 3.576 ( -8.878 -7.435 3.417) 12.074 3.596 ( -9.417 -5.482 -2.787) 11.247 3.955 ( 6.009 19.603 -3.210) 20.753 4.035 ( -1.580 15.330 -2.758) 15.656 4.148 ( 4.953 12.937 -0.643) 13.867 4.208 ( 8.424 0.103 -4.509) 9.555 4.260 ( -1.707 -5.764 -7.269) 9.433 4.322 ( -4.782 0.320 -4.739) 6.740 4.425 ( 1.361 -9.561 -7.005) 11.930 4.499 ( -6.035 -6.283 -0.958) 8.765 4.951 ( 1.955 7.332 5.002) 9.088 5.015 ( -4.182 9.577 1.628) 10.576 5.150 ( 3.150 -9.763 5.099) 11.456 5.227 ( -4.860 -9.811 2.861) 11.317 5.485 ( 2.997 10.384 2.093) 11.009 5.552 ( -3.789 8.667 2.071) 9.683 5.716 ( 0.086 -10.744 -0.650) 10.764 5.747 ( -2.947 -9.520 -0.750) 9.994 6.089 ( 2.203 9.495 -4.897) 10.908 6.103 ( 0.808 9.071 -5.477) 10.627 6.305 ( -0.607 -9.962 -5.844) 11.566 6.310 ( -1.016 -9.738 -5.960) 11.462 6.890 ( 2.886 5.253 5.779) 8.326 6.946 ( -2.370 5.186 5.379) 7.839 6.978 ( 2.791 -2.293 5.484) 6.566 7.039 ( -2.878 -2.064 4.199) 5.494 7.120 ( 1.138 4.399 2.155) 5.029 7.168 ( -3.132 1.628 2.288) 4.206 7.193 ( -0.174 -2.137 -0.698) 2.255 7.210 ( -1.095 -1.714 -1.120) 2.322 7.485 ( 5.993 9.251 1.347) 11.104 7.585 ( -2.127 7.302 -0.093) 7.606 7.767 ( 1.748 -13.027 1.143) 13.194 7.862 ( -6.324 -14.724 -1.500) 16.095 8.080 ( 1.137 9.528 1.895) 9.781 8.097 ( -0.639 8.974 0.930) 9.045 8.304 ( 2.372 -9.791 1.214) 10.147 8.340 ( -0.773 -13.359 0.503) 13.391 8.548 ( 3.192 8.471 4.333) 10.036 8.625 ( -4.899 5.953 3.013) 8.278 8.741 ( 2.510 -10.639 3.464) 11.467 8.808 ( -4.587 -9.748 1.781) 10.920 9.462 ( 4.217 14.089 -7.128) 16.343 9.508 ( -0.557 9.080 -8.270) 12.294 9.704 ( 4.202 -9.806 -5.240) 11.886 9.729 ( 1.266 -12.612 -4.691) 13.516 10.602 ( 6.663 6.583 3.225) 9.906 10.608 ( 5.955 5.618 3.011) 8.723 10.743 ( -2.032 3.189 3.631) 5.242 10.757 ( -3.236 1.787 3.898) 5.372 11.272 ( 1.898 3.447 2.512) 4.668 11.339 ( -3.382 4.206 1.316) 5.555 11.377 ( 3.658 -5.376 2.555) 6.986 11.457 ( -3.086 -5.301 1.696) 6.364 11.694 ( 0.086 21.354 -4.541) 21.832 11.724 ( -3.056 20.097 -4.394) 20.798 11.992 ( -2.626 -4.474 -1.061) 5.295 12.012 ( -3.993 -4.909 -1.642) 6.537 12.135 ( 4.178 5.725 -2.947) 7.676 12.216 ( -4.314 4.936 -5.005) 8.248 12.368 ( -1.125 -12.680 -6.856) 14.458 12.404 ( -4.071 -11.525 -6.428) 13.810 12.878 ( 6.815 5.195 2.283) 8.868 12.943 ( 1.072 2.619 0.663) 2.906 13.024 ( 2.220 -8.031 -0.990) 8.391 13.060 ( -0.679 -7.514 -2.179) 7.853 13.747 ( 11.207 3.314 2.228) 11.897 13.888 ( 11.212 -10.006 -0.874) 15.053 13.967 ( -11.692 4.582 7.710) 14.736 14.110 ( -11.714 -9.080 4.328) 15.440 14.514 ( 2.446 4.371 4.249) 6.568 14.541 ( 0.264 4.109 3.691) 5.530 14.632 ( 0.656 -5.196 2.996) 6.034 14.666 ( -2.598 -6.066 2.630) 7.104 16.411 ( 7.954 10.768 19.218) 23.421 16.567 ( -8.624 10.509 15.373) 20.521 16.613 ( 8.257 -9.904 20.083) 23.866 16.758 ( -7.247 -8.810 16.667) 20.197 18.035 ( 1.759 27.223 -0.028) 27.280 18.089 ( -4.162 25.127 -0.856) 25.484 18.305 ( 1.420 0.603 -7.445) 7.603 18.347 ( -3.294 -1.173 -7.888) 8.628 18.653 ( 7.621 4.009 -11.145) 14.083 18.773 ( 5.872 -6.575 -7.317) 11.456 18.809 ( -8.944 5.208 -8.152) 13.175 18.886 ( -6.167 -3.630 -7.888) 10.650 19.010 ( 7.482 10.979 -14.836) 19.915 19.137 ( -5.868 8.268 -13.789) 17.115 19.279 ( 4.006 -12.975 -4.240) 14.226 19.332 ( -1.569 -10.328 -5.170) 11.656 24.458 ( 5.795 33.979 13.848) 37.148 24.589 ( -8.458 34.327 10.168) 36.787 25.052 ( 6.130 -25.146 9.552) 27.589 25.177 ( -7.364 -24.027 7.309) 26.172 25.359 ( 7.391 19.130 -13.734) 24.682 25.478 ( -5.414 19.754 -15.079) 25.434 25.794 ( 7.331 -22.230 -10.353) 25.595 25.915 ( -5.725 -22.188 -11.308) 25.553 ======================= Grid point 140 (49/60) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( 0.000 0.000 6.807) 6.807 1.788 ( 0.000 0.000 0.209) 0.209 1.848 ( 0.000 0.000 0.629) 0.629 1.859 ( 0.000 0.000 -0.504) 0.504 2.071 ( 0.000 0.000 11.902) 11.902 2.179 ( 0.000 0.000 0.080) 0.080 2.215 ( 0.000 0.000 10.646) 10.646 2.443 ( 0.000 0.000 -10.483) 10.483 3.102 ( 0.000 0.000 -2.451) 2.451 3.124 ( 0.000 0.000 -1.610) 1.610 3.155 ( 0.000 0.000 4.914) 4.914 3.309 ( 0.000 0.000 -9.634) 9.634 3.362 ( 0.000 0.000 0.484) 0.484 3.386 ( 0.000 0.000 -1.995) 1.995 4.117 ( 0.000 0.000 -0.577) 0.577 4.152 ( 0.000 0.000 -3.560) 3.560 4.421 ( 0.000 0.000 5.708) 5.708 4.427 ( 0.000 0.000 3.920) 3.920 4.606 ( 0.000 0.000 -2.124) 2.124 4.655 ( 0.000 0.000 -7.166) 7.166 5.094 ( 0.000 0.000 1.067) 1.067 5.146 ( 0.000 0.000 1.490) 1.490 5.180 ( 0.000 0.000 6.662) 6.662 5.253 ( 0.000 0.000 0.083) 0.083 5.542 ( 0.000 0.000 -2.485) 2.485 5.654 ( 0.000 0.000 -8.733) 8.733 5.785 ( 0.000 0.000 11.254) 11.254 5.896 ( 0.000 0.000 3.565) 3.565 5.937 ( 0.000 0.000 -3.144) 3.144 5.939 ( 0.000 0.000 -0.507) 0.507 6.494 ( 0.000 0.000 0.831) 0.831 6.554 ( 0.000 0.000 2.457) 2.457 6.578 ( 0.000 0.000 -5.832) 5.832 6.603 ( 0.000 0.000 -1.235) 1.235 6.774 ( 0.000 0.000 -0.306) 0.306 6.792 ( 0.000 0.000 -3.663) 3.663 6.986 ( 0.000 0.000 2.317) 2.317 7.039 ( 0.000 0.000 -2.580) 2.580 7.258 ( 0.000 0.000 14.605) 14.605 7.447 ( 0.000 0.000 -4.156) 4.156 7.535 ( 0.000 0.000 2.829) 2.829 7.629 ( 0.000 0.000 -4.887) 4.887 7.638 ( 0.000 0.000 1.019) 1.019 7.651 ( 0.000 0.000 0.290) 0.290 7.717 ( 0.000 0.000 12.411) 12.411 8.062 ( 0.000 0.000 -17.872) 17.872 8.363 ( 0.000 0.000 2.568) 2.568 8.420 ( 0.000 0.000 -4.272) 4.272 8.734 ( 0.000 0.000 3.792) 3.792 8.798 ( 0.000 0.000 -2.832) 2.832 9.085 ( 0.000 0.000 6.914) 6.914 9.161 ( 0.000 0.000 1.311) 1.311 9.211 ( 0.000 0.000 -2.517) 2.517 9.240 ( 0.000 0.000 -7.702) 7.702 9.865 ( 0.000 0.000 3.524) 3.524 9.926 ( 0.000 0.000 -1.985) 1.985 10.276 ( 0.000 0.000 4.024) 4.024 10.353 ( 0.000 0.000 -2.465) 2.465 10.383 ( 0.000 0.000 2.694) 2.694 10.453 ( 0.000 0.000 -2.788) 2.788 10.864 ( 0.000 0.000 6.492) 6.492 10.885 ( 0.000 0.000 3.095) 3.095 10.973 ( 0.000 0.000 -4.986) 4.986 10.994 ( 0.000 0.000 -5.775) 5.775 11.394 ( 0.000 0.000 3.951) 3.951 11.503 ( 0.000 0.000 -6.935) 6.935 11.941 ( 0.000 0.000 4.069) 4.069 12.034 ( 0.000 0.000 -5.146) 5.146 12.225 ( 0.000 0.000 4.953) 4.953 12.370 ( 0.000 0.000 -8.806) 8.806 12.644 ( 0.000 0.000 1.522) 1.522 12.645 ( 0.000 0.000 1.665) 1.665 12.926 ( 0.000 0.000 7.674) 7.674 13.047 ( 0.000 0.000 -4.091) 4.091 13.376 ( 0.000 0.000 -1.075) 1.075 13.381 ( 0.000 0.000 -1.787) 1.787 13.929 ( 0.000 0.000 5.167) 5.167 13.991 ( 0.000 0.000 8.060) 8.060 14.086 ( 0.000 0.000 -8.949) 8.949 14.109 ( 0.000 0.000 -3.145) 3.145 14.794 ( 0.000 0.000 6.281) 6.281 14.872 ( 0.000 0.000 -0.807) 0.807 15.100 ( 0.000 0.000 5.252) 5.252 15.246 ( 0.000 0.000 -8.891) 8.891 16.089 ( 0.000 0.000 2.354) 2.354 16.093 ( 0.000 0.000 4.293) 4.293 16.332 ( 0.000 0.000 7.375) 7.375 16.461 ( 0.000 0.000 -2.238) 2.238 16.728 ( 0.000 0.000 1.452) 1.452 16.753 ( 0.000 0.000 -1.107) 1.107 17.435 ( 0.000 0.000 29.382) 29.382 17.955 ( 0.000 0.000 -17.240) 17.240 18.137 ( 0.000 0.000 -4.555) 4.555 18.162 ( 0.000 0.000 -6.351) 6.351 18.675 ( 0.000 0.000 -2.062) 2.062 18.875 ( 0.000 0.000 -17.170) 17.170 19.077 ( 0.000 0.000 0.836) 0.836 19.099 ( 0.000 0.000 -1.141) 1.141 19.490 ( 0.000 0.000 2.258) 2.258 19.533 ( 0.000 0.000 -1.603) 1.603 23.932 ( 0.000 0.000 10.595) 10.595 23.980 ( 0.000 0.000 24.808) 24.808 24.145 ( 0.000 0.000 -10.921) 10.921 24.508 ( 0.000 0.000 -24.760) 24.760 25.885 ( 0.000 0.000 8.726) 8.726 26.063 ( 0.000 0.000 -8.146) 8.146 26.162 ( 0.000 0.000 8.154) 8.154 26.344 ( 0.000 0.000 -9.044) 9.044 ======================= Grid point 141 (50/60) ======================= q-point: ( 0.20 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( 0.335 0.000 5.887) 5.897 1.778 ( -1.009 0.000 0.625) 1.186 1.849 ( 0.121 0.000 0.543) 0.556 1.858 ( -0.120 0.000 -0.353) 0.373 2.114 ( 4.248 0.000 10.521) 11.346 2.203 ( 2.214 0.000 1.341) 2.589 2.367 ( 14.428 0.000 6.401) 15.784 2.521 ( 7.404 0.000 -8.233) 11.073 2.930 ( -11.444 0.000 -1.009) 11.488 2.976 ( -11.624 0.000 -5.114) 12.700 3.183 ( 3.644 0.000 6.893) 7.797 3.362 ( 5.618 0.000 -9.886) 11.371 3.558 ( 16.491 0.000 2.563) 16.689 3.608 ( 17.826 0.000 -3.035) 18.083 4.053 ( -6.795 0.000 1.323) 6.922 4.111 ( -5.075 0.000 -3.793) 6.336 4.330 ( -5.553 0.000 7.768) 9.549 4.450 ( -1.409 0.000 -1.532) 2.081 4.595 ( -2.321 0.000 -2.097) 3.128 4.633 ( -3.437 0.000 -6.954) 7.757 5.094 ( 4.151 0.000 9.559) 10.422 5.121 ( -4.727 0.000 6.356) 7.921 5.223 ( -4.093 0.000 -2.541) 4.817 5.296 ( 11.126 0.000 -4.541) 12.017 5.477 ( -6.117 0.000 0.731) 6.161 5.629 ( -2.026 0.000 -8.391) 8.632 5.786 ( 0.838 0.000 10.661) 10.694 5.920 ( -1.593 0.000 -1.346) 2.086 5.965 ( 2.933 0.000 1.605) 3.343 5.983 ( 7.099 0.000 0.007) 7.099 6.495 ( -0.029 0.000 0.524) 0.525 6.541 ( -1.261 0.000 3.008) 3.262 6.557 ( -1.956 0.000 -5.273) 5.624 6.596 ( -0.912 0.000 -1.437) 1.702 6.806 ( 3.661 0.000 -0.463) 3.691 6.842 ( 4.384 0.000 -4.329) 6.161 7.000 ( 2.786 0.000 3.664) 4.603 7.077 ( 4.314 0.000 -3.781) 5.737 7.288 ( 1.666 0.000 10.370) 10.503 7.421 ( -2.582 0.000 -2.791) 3.802 7.507 ( -4.705 0.000 1.831) 5.049 7.581 ( -5.392 0.000 1.682) 5.648 7.599 ( -5.189 0.000 0.082) 5.190 7.607 ( -6.498 0.000 -4.352) 7.821 7.715 ( 6.072 0.000 10.925) 12.499 8.057 ( 0.278 0.000 -18.124) 18.126 8.400 ( 3.093 0.000 2.122) 3.751 8.445 ( 1.898 0.000 -2.748) 3.339 8.786 ( 5.336 0.000 2.931) 6.088 8.837 ( 4.009 0.000 -2.370) 4.657 9.080 ( 0.290 0.000 6.703) 6.709 9.141 ( -2.310 0.000 0.997) 2.516 9.185 ( -2.959 0.000 -2.436) 3.833 9.223 ( -1.090 0.000 -6.871) 6.957 9.721 ( -13.543 0.000 3.864) 14.083 9.796 ( -12.902 0.000 -3.106) 13.270 10.309 ( 5.860 0.000 3.364) 6.757 10.374 ( 4.281 0.000 -2.475) 4.945 10.497 ( 8.044 0.000 2.981) 8.579 10.548 ( 6.115 0.000 -1.821) 6.380 10.857 ( -0.677 0.000 4.996) 5.041 10.929 ( 4.831 0.000 3.535) 5.986 10.965 ( -3.108 0.000 -5.088) 5.962 11.026 ( 5.877 0.000 -5.458) 8.021 11.334 ( -5.718 0.000 5.071) 7.643 11.479 ( -3.799 0.000 -9.064) 9.828 11.943 ( 0.158 0.000 4.036) 4.039 12.017 ( -1.822 0.000 -3.027) 3.533 12.239 ( 1.746 0.000 4.683) 4.998 12.373 ( -0.110 0.000 -7.358) 7.359 12.632 ( 2.789 0.000 7.402) 7.910 12.735 ( 4.929 0.000 -2.249) 5.418 12.868 ( -4.440 0.000 5.306) 6.919 12.995 ( -5.445 0.000 -6.377) 8.385 13.393 ( 2.250 0.000 0.251) 2.264 13.415 ( 2.451 0.000 -1.363) 2.805 13.985 ( -0.491 0.000 6.856) 6.873 13.997 ( 6.596 0.000 4.832) 8.176 14.086 ( -2.442 0.000 -2.722) 3.657 14.130 ( 4.237 0.000 -7.293) 8.434 14.781 ( -0.492 0.000 7.549) 7.565 14.882 ( 1.023 0.000 -1.609) 1.907 15.053 ( -4.672 0.000 4.701) 6.628 15.181 ( -6.981 0.000 -7.270) 10.079 16.086 ( 0.547 0.000 3.932) 3.970 16.112 ( 1.129 0.000 1.611) 1.967 16.332 ( 0.070 0.000 7.705) 7.706 16.439 ( -2.320 0.000 -0.447) 2.362 16.736 ( 0.788 0.000 1.316) 1.534 16.757 ( 0.351 0.000 -0.852) 0.921 17.581 ( 14.672 0.000 24.455) 28.518 18.010 ( 5.030 0.000 -12.347) 13.332 18.138 ( 0.094 0.000 -4.812) 4.813 18.158 ( -0.475 0.000 -6.196) 6.214 18.649 ( -2.496 0.000 -4.592) 5.226 18.830 ( -4.811 0.000 -17.309) 17.965 19.003 ( -5.476 0.000 1.530) 5.685 19.053 ( -5.023 0.000 -2.993) 5.847 19.537 ( 4.143 0.000 2.218) 4.700 19.572 ( 3.251 0.000 -1.091) 3.429 23.798 ( -10.014 0.000 13.562) 16.859 23.857 ( -9.264 0.000 9.919) 13.573 24.305 ( 10.870 0.000 -3.391) 11.387 24.544 ( 2.442 0.000 -20.436) 20.581 25.906 ( 2.235 0.000 8.668) 8.952 26.061 ( -0.721 0.000 -2.968) 3.054 26.166 ( 0.950 0.000 2.954) 3.103 26.324 ( -2.121 0.000 -8.922) 9.170 ======================= Grid point 142 (51/60) ======================= q-point: ( 0.40 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( 0.892 0.000 3.937) 4.037 1.757 ( -1.228 0.000 1.937) 2.294 1.852 ( 0.208 0.000 0.296) 0.362 1.855 ( -0.177 0.000 -0.027) 0.179 2.197 ( 4.096 0.000 7.945) 8.939 2.233 ( 0.351 0.000 4.668) 4.682 2.604 ( 8.470 0.000 -1.570) 8.615 2.640 ( 3.742 0.000 -5.175) 6.386 2.776 ( -4.388 0.000 -3.811) 5.811 2.799 ( -6.661 0.000 -5.592) 8.697 3.322 ( 11.739 0.000 8.215) 14.328 3.462 ( 1.385 0.000 -4.774) 4.971 3.865 ( 15.717 0.000 4.686) 16.401 3.909 ( -5.440 0.000 2.444) 5.963 3.933 ( 14.271 0.000 -0.153) 14.272 3.972 ( -8.982 0.000 -3.198) 9.534 4.218 ( -5.312 0.000 1.958) 5.661 4.340 ( -11.784 0.000 -6.930) 13.670 4.541 ( -1.157 0.000 -0.640) 1.323 4.563 ( -3.046 0.000 -2.863) 4.180 5.068 ( -0.107 0.000 1.901) 1.904 5.123 ( -5.564 0.000 -2.794) 6.226 5.216 ( 7.817 0.000 11.091) 13.568 5.351 ( -7.048 0.000 8.835) 11.302 5.479 ( 7.820 0.000 -10.655) 13.216 5.581 ( -3.751 0.000 -9.852) 10.542 5.826 ( 3.243 0.000 7.676) 8.333 5.883 ( -2.659 0.000 2.832) 3.885 6.035 ( 4.187 0.000 4.648) 6.256 6.073 ( 1.367 0.000 1.863) 2.311 6.496 ( 0.479 0.000 -1.033) 1.138 6.519 ( -1.945 0.000 -3.623) 4.112 6.531 ( 0.795 0.000 0.922) 1.217 6.566 ( -2.343 0.000 -1.636) 2.858 6.885 ( 4.009 0.000 -1.934) 4.451 6.909 ( 1.850 0.000 -4.126) 4.522 7.109 ( 8.845 0.000 4.649) 9.992 7.196 ( 7.410 0.000 -3.003) 7.995 7.280 ( -2.937 0.000 7.161) 7.740 7.375 ( -3.143 0.000 0.050) 3.143 7.383 ( -5.084 0.000 -1.047) 5.191 7.428 ( -10.387 0.000 -3.093) 10.838 7.490 ( -3.116 0.000 1.866) 3.632 7.502 ( -4.165 0.000 0.711) 4.225 7.909 ( 11.808 0.000 -1.165) 11.865 8.051 ( -2.970 0.000 -13.068) 13.401 8.445 ( 1.529 0.000 1.136) 1.904 8.461 ( -0.251 0.000 -0.378) 0.453 8.899 ( 5.873 0.000 1.326) 6.021 8.920 ( 3.952 0.000 -0.856) 4.043 9.085 ( -2.948 0.000 -0.327) 2.966 9.108 ( -4.838 0.000 -2.028) 5.246 9.133 ( 5.947 0.000 4.988) 7.762 9.220 ( -0.603 0.000 -3.067) 3.126 9.488 ( -8.179 0.000 2.128) 8.452 9.548 ( -11.999 0.000 -3.319) 12.449 10.438 ( 6.271 0.000 2.107) 6.616 10.466 ( 3.586 0.000 -0.135) 3.589 10.600 ( 2.947 0.000 1.125) 3.154 10.615 ( 1.166 0.000 -0.350) 1.217 10.851 ( 0.671 0.000 1.057) 1.252 10.895 ( -3.909 0.000 -2.999) 4.927 11.051 ( 8.234 0.000 4.516) 9.391 11.172 ( 8.801 0.000 -6.495) 10.938 11.208 ( -7.111 0.000 4.861) 8.613 11.356 ( -9.281 0.000 -8.996) 12.925 11.949 ( 0.802 0.000 3.674) 3.761 11.977 ( -2.210 0.000 1.188) 2.509 12.288 ( 3.467 0.000 2.716) 4.404 12.349 ( -2.709 0.000 -1.995) 3.364 12.721 ( 5.616 0.000 6.500) 8.590 12.783 ( -0.394 0.000 0.748) 0.845 12.826 ( 0.566 0.000 -1.684) 1.777 12.886 ( -5.515 0.000 -6.672) 8.656 13.435 ( 1.834 0.000 0.374) 1.871 13.447 ( 0.698 0.000 -0.611) 0.928 13.988 ( 1.230 0.000 3.240) 3.466 14.031 ( -3.236 0.000 -0.762) 3.325 14.124 ( 6.311 0.000 3.050) 7.009 14.186 ( 0.270 0.000 -2.525) 2.539 14.820 ( 5.604 0.000 6.426) 8.526 14.914 ( 2.696 0.000 -1.190) 2.947 14.952 ( -6.209 0.000 2.415) 6.662 15.022 ( -8.983 0.000 -3.432) 9.616 16.106 ( 1.407 0.000 2.514) 2.881 16.123 ( -0.142 0.000 0.884) 0.895 16.343 ( 1.443 0.000 7.231) 7.374 16.386 ( -3.073 0.000 3.815) 4.899 16.752 ( 0.820 0.000 0.829) 1.166 16.761 ( -0.093 0.000 -0.043) 0.102 17.880 ( 15.699 0.000 14.842) 21.604 18.058 ( -2.530 0.000 2.044) 3.253 18.141 ( 0.257 0.000 -5.327) 5.333 18.148 ( -0.521 0.000 -5.813) 5.836 18.624 ( 1.445 0.000 -12.975) 13.055 18.715 ( -7.145 0.000 -17.358) 18.771 18.934 ( -1.381 0.000 -0.250) 1.404 18.961 ( -4.041 0.000 -2.680) 4.849 19.602 ( 2.489 0.000 1.290) 2.804 19.616 ( 1.033 0.000 0.049) 1.034 23.672 ( -2.903 0.000 11.588) 11.946 23.704 ( -6.105 0.000 9.296) 11.121 24.472 ( 7.131 0.000 -7.477) 10.332 24.554 ( -1.858 0.000 -13.883) 14.007 25.960 ( 3.559 0.000 8.075) 8.824 26.024 ( -3.162 0.000 5.386) 6.245 26.207 ( 3.333 0.000 -5.447) 6.386 26.272 ( -3.518 0.000 -8.213) 8.934 ======================= Grid point 145 (52/60) ======================= q-point: ( 0.00 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( 0.000 26.697 8.019) 27.875 2.050 ( 0.000 10.827 8.471) 13.747 2.148 ( 0.000 19.958 2.754) 20.147 2.204 ( 0.000 5.621 -0.402) 5.635 2.221 ( 0.000 2.065 9.822) 10.037 2.363 ( 0.000 44.573 -0.312) 44.574 2.368 ( 0.000 41.791 -0.252) 41.792 2.442 ( 0.000 1.182 -10.082) 10.151 3.074 ( 0.000 -3.559 1.934) 4.051 3.083 ( 0.000 -0.387 -1.718) 1.761 3.213 ( 0.000 4.387 4.864) 6.550 3.327 ( 0.000 3.372 -6.960) 7.734 3.419 ( 0.000 3.143 -3.192) 4.479 3.449 ( 0.000 5.217 -5.606) 7.658 4.102 ( 0.000 -1.914 0.307) 1.939 4.140 ( 0.000 -2.020 -2.958) 3.582 4.397 ( 0.000 -2.503 3.117) 3.998 4.416 ( 0.000 -1.104 0.684) 1.299 4.553 ( 0.000 -4.964 -1.168) 5.100 4.609 ( 0.000 -3.971 -6.780) 7.858 5.089 ( 0.000 0.789 4.715) 4.780 5.169 ( 0.000 2.153 1.544) 2.649 5.254 ( 0.000 7.358 7.987) 10.860 5.359 ( 0.000 8.744 -1.916) 8.951 5.509 ( 0.000 -4.513 2.710) 5.264 5.661 ( 0.000 0.126 -9.495) 9.496 5.741 ( 0.000 -1.872 3.512) 3.979 5.792 ( 0.000 -8.301 -0.000) 8.301 5.866 ( 0.000 -1.846 5.614) 5.910 5.987 ( 0.000 0.503 -4.636) 4.663 6.487 ( 0.000 0.060 1.822) 1.823 6.538 ( 0.000 -4.652 -3.112) 5.598 6.669 ( 0.000 6.005 -1.323) 6.149 6.684 ( 0.000 9.511 -1.835) 9.686 6.964 ( 0.000 2.306 0.904) 2.477 6.980 ( 0.000 3.801 -0.320) 3.814 7.037 ( 0.000 10.691 2.216) 10.918 7.056 ( 0.000 -0.221 0.509) 0.555 7.312 ( 0.000 12.075 10.269) 15.851 7.480 ( 0.000 5.838 -3.977) 7.064 7.522 ( 0.000 -4.622 2.589) 5.298 7.565 ( 0.000 7.350 5.516) 9.190 7.603 ( 0.000 -2.142 -5.710) 6.099 7.664 ( 0.000 9.611 -3.134) 10.109 7.883 ( 0.000 8.669 7.633) 11.550 8.088 ( 0.000 1.610 -10.517) 10.640 8.418 ( 0.000 6.165 3.862) 7.275 8.530 ( 0.000 10.549 -8.091) 13.294 8.604 ( 0.000 -12.343 3.529) 12.837 8.651 ( 0.000 -13.538 -1.340) 13.604 8.914 ( 0.000 -10.956 3.772) 11.587 8.982 ( 0.000 -12.051 -2.730) 12.357 9.284 ( 0.000 -0.391 0.125) 0.410 9.344 ( 0.000 3.098 -5.830) 6.602 9.830 ( 0.000 -3.770 5.594) 6.746 9.925 ( 0.000 -2.074 -3.310) 3.906 10.322 ( 0.000 3.634 3.567) 5.092 10.387 ( 0.000 2.796 -2.471) 3.731 10.436 ( 0.000 7.541 4.173) 8.619 10.511 ( 0.000 6.853 -2.451) 7.278 10.903 ( 0.000 7.529 3.841) 8.452 10.993 ( 0.000 4.807 -4.491) 6.578 11.025 ( 0.000 11.779 3.379) 12.254 11.113 ( 0.000 10.810 -4.672) 11.777 11.418 ( 0.000 1.183 3.041) 3.263 11.507 ( 0.000 -0.579 -5.644) 5.673 11.969 ( 0.000 3.617 2.417) 4.350 12.033 ( 0.000 0.684 -3.893) 3.952 12.175 ( 0.000 -4.545 4.684) 6.527 12.314 ( 0.000 -5.357 -8.499) 10.046 12.677 ( 0.000 3.028 2.663) 4.033 12.695 ( 0.000 4.381 1.637) 4.676 12.850 ( 0.000 -7.144 6.946) 9.964 12.973 ( 0.000 -7.564 -4.541) 8.822 13.297 ( 0.000 -8.207 -1.500) 8.343 13.300 ( 0.000 -7.422 -1.537) 7.580 13.808 ( 0.000 -10.021 4.453) 10.965 13.950 ( 0.000 -10.624 -8.257) 13.456 14.083 ( 0.000 6.900 7.642) 10.296 14.201 ( 0.000 6.097 -3.665) 7.114 14.728 ( 0.000 -5.810 5.954) 8.319 14.814 ( 0.000 -5.610 -1.641) 5.845 15.011 ( 0.000 -6.930 1.955) 7.201 15.044 ( 0.000 -13.783 -1.404) 13.854 16.306 ( 0.000 8.763 14.623) 17.047 16.479 ( 0.000 31.573 2.562) 31.677 16.523 ( 0.000 9.498 1.490) 9.614 16.668 ( 0.000 39.043 -7.802) 39.815 16.942 ( 0.000 16.472 1.307) 16.524 16.961 ( 0.000 21.421 0.686) 21.432 17.420 ( 0.000 0.785 27.678) 27.689 17.916 ( 0.000 -1.013 -16.746) 16.777 18.170 ( 0.000 3.216 -4.343) 5.404 18.218 ( 0.000 4.197 -8.848) 9.793 18.688 ( 0.000 1.646 -1.592) 2.290 18.874 ( 0.000 0.097 -16.203) 16.203 19.057 ( 0.000 -2.071 0.399) 2.109 19.076 ( 0.000 -2.541 -1.168) 2.797 19.465 ( 0.000 -2.834 2.200) 3.588 19.507 ( 0.000 -2.885 -1.606) 3.302 24.003 ( 0.000 7.801 12.139) 14.429 24.062 ( 0.000 9.448 21.628) 23.601 24.218 ( 0.000 8.145 -10.868) 13.582 24.562 ( 0.000 6.195 -23.774) 24.568 25.818 ( 0.000 -7.379 8.690) 11.401 25.995 ( 0.000 -7.394 -8.132) 10.990 26.129 ( 0.000 -4.122 8.297) 9.264 26.314 ( 0.000 -3.791 -9.237) 9.985 ======================= Grid point 146 (53/60) ======================= q-point: ( 0.20 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( -0.155 21.921 7.805) 23.269 2.069 ( 0.164 23.120 1.948) 23.202 2.162 ( 1.811 13.564 6.617) 15.200 2.226 ( 1.482 7.257 0.830) 7.453 2.356 ( 5.747 27.198 2.515) 27.912 2.375 ( 6.686 21.471 3.860) 22.816 2.379 ( 3.242 35.946 -0.259) 36.093 2.520 ( 7.099 0.963 -8.096) 10.811 2.947 ( -8.179 2.082 0.620) 8.463 3.009 ( -7.910 3.806 -5.093) 10.149 3.213 ( 1.814 2.668 6.914) 7.629 3.372 ( 5.011 0.832 -7.665) 9.196 3.578 ( 13.594 0.468 0.184) 13.603 3.623 ( 15.837 2.583 -4.460) 16.655 4.050 ( -5.567 -0.859 1.690) 5.881 4.103 ( -4.391 -1.572 -2.981) 5.535 4.339 ( -4.306 0.711 4.105) 5.991 4.408 ( -1.781 -3.681 -1.824) 4.478 4.544 ( -2.236 -4.636 -1.190) 5.283 4.596 ( -2.555 -3.576 -6.891) 8.174 5.081 ( 1.432 -0.058 9.815) 9.919 5.204 ( -2.445 6.194 7.367) 9.930 5.277 ( 3.448 3.875 -1.266) 5.339 5.339 ( 0.244 5.404 -5.636) 7.812 5.421 ( -7.022 -4.741 4.243) 9.476 5.600 ( -4.426 -4.079 -8.320) 10.269 5.769 ( 2.259 -0.613 6.012) 6.451 5.835 ( 2.487 -3.776 0.993) 4.629 5.917 ( 4.665 -4.374 1.712) 6.620 5.985 ( -0.066 -0.582 -3.665) 3.711 6.490 ( 0.299 -0.592 0.557) 0.866 6.522 ( -1.428 -4.229 -2.893) 5.319 6.654 ( -1.488 7.090 -0.343) 7.253 6.672 ( -1.260 8.763 -1.294) 8.947 6.956 ( 0.800 1.879 2.552) 3.268 6.995 ( 1.821 3.674 -1.282) 4.297 7.082 ( 4.156 5.911 2.066) 7.515 7.109 ( 4.167 3.162 -1.153) 5.356 7.326 ( 0.625 8.128 8.116) 11.503 7.425 ( -7.348 -4.159 1.489) 8.574 7.448 ( -4.802 2.402 -0.597) 5.403 7.503 ( -3.816 11.422 0.185) 12.044 7.601 ( -1.486 -1.687 -0.060) 2.249 7.690 ( 0.063 7.309 -6.225) 9.601 7.931 ( 6.234 14.644 7.688) 17.675 8.137 ( 4.939 6.903 -10.767) 13.710 8.425 ( 0.481 3.279 3.245) 4.638 8.512 ( -1.268 5.961 -5.438) 8.167 8.622 ( 0.874 -12.684 1.354) 12.786 8.654 ( -0.039 -14.645 -1.065) 14.684 8.918 ( 0.684 -10.672 2.928) 11.087 8.973 ( -0.899 -11.527 -2.516) 11.832 9.283 ( 0.489 0.976 1.698) 2.019 9.362 ( 2.381 4.440 -5.799) 7.682 9.746 ( -8.956 2.232 5.179) 10.583 9.842 ( -8.811 3.112 -3.892) 10.123 10.364 ( 5.368 4.401 3.216) 7.650 10.417 ( 4.161 2.990 -1.451) 5.325 10.498 ( 4.911 2.985 3.228) 6.592 10.556 ( 3.143 3.337 -1.815) 4.930 10.883 ( -1.476 5.727 3.387) 6.815 10.971 ( -2.047 4.003 -4.586) 6.423 11.068 ( 3.865 11.469 3.047) 12.480 11.150 ( 4.047 10.514 -4.556) 12.153 11.372 ( -4.478 2.696 4.219) 6.717 11.494 ( -2.409 0.599 -7.501) 7.901 11.959 ( -0.959 2.319 2.314) 3.413 12.007 ( -2.564 -0.235 -1.923) 3.214 12.192 ( 1.892 -4.308 4.216) 6.318 12.318 ( -0.016 -5.263 -6.929) 8.701 12.673 ( 2.418 3.595 7.298) 8.487 12.757 ( 1.626 -2.068 0.435) 2.666 12.807 ( -1.399 -2.000 2.553) 3.533 12.916 ( -5.589 -7.860 -6.381) 11.565 13.316 ( 2.378 -7.563 -0.040) 7.928 13.335 ( 2.444 -7.784 -1.409) 8.279 13.873 ( 6.340 -9.054 4.521) 11.942 13.994 ( 3.879 -7.443 -5.652) 10.119 14.084 ( 0.419 4.683 5.699) 7.388 14.188 ( -1.391 5.445 -3.517) 6.630 14.705 ( -1.650 -6.541 7.118) 9.807 14.819 ( 0.363 -6.351 -3.060) 7.059 14.964 ( -4.766 -7.785 2.488) 9.461 15.004 ( -4.202 -11.077 -1.408) 11.931 16.321 ( 1.628 9.046 13.912) 16.674 16.487 ( 0.894 31.654 2.194) 31.743 16.499 ( -2.565 8.776 2.670) 9.525 16.625 ( -3.744 35.274 -4.613) 35.771 16.948 ( 1.282 17.550 3.110) 17.869 16.987 ( 1.351 24.084 -1.075) 24.145 17.556 ( 13.474 -0.624 21.788) 25.625 17.948 ( 2.536 -2.516 -11.916) 12.440 18.180 ( 1.091 3.942 -4.498) 6.080 18.231 ( 1.598 5.089 -9.067) 10.520 18.657 ( -3.109 1.076 -3.757) 4.994 18.827 ( -5.082 -0.182 -16.357) 17.129 18.984 ( -5.497 -2.123 1.195) 6.013 19.030 ( -5.003 -2.489 -2.963) 6.325 19.511 ( 4.064 -2.892 2.019) 5.381 19.545 ( 3.128 -3.038 -1.107) 4.499 23.894 ( -8.124 10.393 13.620) 18.961 23.960 ( -7.962 11.508 9.908) 17.146 24.356 ( 9.740 5.798 -4.278) 12.115 24.588 ( 1.711 5.223 -20.123) 20.860 25.840 ( 2.390 -7.242 8.580) 11.479 25.995 ( -0.461 -7.238 -3.911) 8.240 26.131 ( 0.762 -4.211 4.022) 5.873 26.293 ( -2.288 -3.928 -9.022) 10.103 ======================= Grid point 147 (54/60) ======================= q-point: ( 0.40 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( 1.605 24.505 4.878) 25.037 2.056 ( -1.450 26.531 1.621) 26.620 2.195 ( 1.876 11.789 4.937) 12.918 2.228 ( -1.341 11.351 2.065) 11.615 2.388 ( 2.079 37.917 2.178) 38.036 2.408 ( 0.620 36.605 1.338) 36.634 2.586 ( 7.257 -0.258 -1.876) 7.500 2.624 ( 2.557 0.233 -5.492) 6.063 2.853 ( -1.330 7.021 -2.328) 7.515 2.885 ( -4.571 8.189 -5.085) 10.668 3.320 ( 9.876 -0.370 7.613) 12.475 3.447 ( 0.043 -1.613 -4.535) 4.814 3.830 ( 10.158 -3.288 5.771) 12.137 3.903 ( 11.686 0.701 -1.547) 11.809 3.944 ( -4.350 0.006 1.574) 4.626 3.997 ( -3.455 0.945 -2.442) 4.335 4.256 ( -3.576 3.741 0.370) 5.189 4.334 ( -7.686 -0.589 -5.053) 9.217 4.490 ( -1.772 -4.922 -1.743) 5.514 4.515 ( -4.307 -4.168 -4.579) 7.543 5.128 ( 2.053 0.536 6.840) 7.161 5.168 ( -1.067 1.758 6.404) 6.726 5.228 ( -1.420 7.005 0.680) 7.180 5.296 ( -6.019 -3.693 5.873) 9.185 5.453 ( 6.485 -2.466 -7.776) 10.422 5.538 ( -3.295 -4.444 -8.493) 10.136 5.813 ( 2.623 -0.514 6.096) 6.656 5.850 ( -0.958 -2.010 3.703) 4.321 5.986 ( 2.089 -5.694 0.025) 6.066 5.992 ( 0.731 -3.443 -0.797) 3.609 6.494 ( 0.114 -2.402 -1.759) 2.979 6.501 ( -0.719 -3.402 -2.684) 4.393 6.632 ( -0.346 8.675 0.578) 8.701 6.645 ( -1.455 8.535 -0.278) 8.662 7.013 ( 5.052 1.636 2.118) 5.717 7.054 ( 3.841 5.857 -1.629) 7.191 7.120 ( -1.260 -4.406 1.815) 4.929 7.153 ( -1.257 -0.180 -1.616) 2.055 7.296 ( -2.075 -1.120 2.546) 3.470 7.313 ( -3.437 0.394 0.795) 3.550 7.402 ( 1.382 9.205 3.918) 10.099 7.454 ( -2.768 15.548 2.833) 16.045 7.573 ( 0.295 1.698 -2.145) 2.751 7.634 ( -4.973 6.331 -5.408) 9.698 8.101 ( 10.417 17.138 1.451) 20.108 8.210 ( 0.345 15.321 -7.835) 17.211 8.430 ( 0.890 -1.037 0.644) 1.510 8.477 ( -3.022 2.966 -3.798) 5.689 8.631 ( 0.611 -17.812 0.905) 17.845 8.645 ( -0.757 -17.764 -0.285) 17.783 8.937 ( 1.056 -11.072 0.338) 11.128 8.954 ( -1.022 -11.042 -1.497) 11.190 9.340 ( 6.721 3.483 4.403) 8.757 9.440 ( 4.595 0.717 -4.398) 6.401 9.553 ( -9.133 15.539 3.683) 18.397 9.648 ( -11.256 11.713 -4.819) 16.944 10.488 ( 6.860 3.358 2.184) 7.944 10.514 ( 5.226 1.681 0.064) 5.490 10.556 ( 0.406 -0.240 1.787) 1.849 10.578 ( -1.249 0.369 -0.159) 1.312 10.877 ( 1.252 4.363 0.626) 4.582 10.922 ( -3.115 4.355 -3.429) 6.358 11.154 ( 5.596 8.918 3.508) 11.097 11.244 ( 2.018 5.779 -2.810) 6.735 11.284 ( -0.823 7.314 1.534) 7.519 11.404 ( -7.204 4.114 -7.785) 11.377 11.945 ( -0.228 0.079 2.850) 2.860 11.961 ( -2.032 -1.087 1.581) 2.794 12.239 ( 3.125 -4.663 2.350) 6.085 12.295 ( -2.605 -5.187 -1.883) 6.103 12.732 ( 1.279 -7.644 -0.572) 7.771 12.751 ( 1.510 -2.871 2.135) 3.883 12.813 ( -1.486 -1.567 -2.162) 3.056 12.835 ( -1.170 2.880 -0.792) 3.208 13.358 ( 1.732 -7.508 -0.017) 7.706 13.367 ( 0.813 -7.730 -0.770) 7.810 13.991 ( 5.240 -4.157 4.126) 7.859 14.034 ( 0.016 2.709 2.622) 3.770 14.113 ( 2.381 -3.434 -0.967) 4.289 14.156 ( -2.111 0.429 -2.936) 3.641 14.712 ( 3.354 -9.046 5.767) 11.240 14.806 ( -4.072 -11.451 -2.582) 12.424 14.878 ( -1.581 -4.505 2.413) 5.349 14.918 ( -4.362 -6.316 -1.047) 7.747 16.367 ( 3.429 9.392 11.310) 15.095 16.437 ( -4.004 9.484 6.992) 12.445 16.513 ( 2.004 30.435 0.462) 30.504 16.560 ( -3.212 31.624 -1.351) 31.816 16.977 ( 1.571 20.844 2.561) 21.059 16.996 ( -0.317 23.701 0.709) 23.714 17.817 ( 12.793 -3.581 10.397) 16.870 17.957 ( -2.756 -4.714 -1.531) 5.671 18.215 ( 2.935 6.118 -3.769) 7.762 18.259 ( -0.191 7.139 -5.236) 8.855 18.618 ( 0.767 -0.564 -11.851) 11.889 18.706 ( -7.393 -0.770 -16.482) 18.080 18.914 ( -1.465 -2.216 -0.411) 2.688 18.939 ( -3.949 -2.362 -2.691) 5.330 19.574 ( 2.380 -3.095 1.084) 4.052 19.587 ( 1.021 -3.169 -0.058) 3.330 23.794 ( -2.055 13.122 11.836) 17.790 23.828 ( -5.468 13.405 9.520) 17.326 24.509 ( 6.716 4.369 -8.099) 11.392 24.589 ( -2.079 4.233 -14.144) 14.909 25.897 ( 3.723 -6.956 7.768) 11.072 25.962 ( -3.068 -6.869 4.437) 8.733 26.170 ( 3.324 -4.442 -4.465) 7.122 26.237 ( -3.731 -4.248 -7.993) 9.791 ======================= Grid point 150 (55/60) ======================= q-point: ( 0.00 0.29 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( 0.000 2.744 12.211) 12.515 2.200 ( 0.000 0.152 11.310) 11.311 2.294 ( 0.000 4.516 -3.575) 5.760 2.429 ( 0.000 -0.635 -9.715) 9.736 2.650 ( 0.000 31.221 6.431) 31.877 2.688 ( 0.000 25.301 1.429) 25.342 3.017 ( 0.000 -2.350 4.103) 4.728 3.113 ( 0.000 4.955 -5.500) 7.403 3.236 ( 0.000 39.531 2.871) 39.635 3.289 ( 0.000 29.468 0.987) 29.485 3.321 ( 0.000 21.336 6.212) 22.221 3.446 ( 0.000 9.471 -3.807) 10.207 3.503 ( 0.000 6.307 -7.637) 9.904 3.528 ( 0.000 5.225 -9.662) 10.984 4.037 ( 0.000 -3.782 -0.387) 3.802 4.059 ( 0.000 -5.756 -2.291) 6.195 4.299 ( 0.000 -8.928 -2.108) 9.174 4.332 ( 0.000 -9.011 -5.618) 10.619 4.472 ( 0.000 -2.044 4.130) 4.608 4.578 ( 0.000 1.758 -5.384) 5.664 5.119 ( 0.000 1.588 7.158) 7.332 5.210 ( 0.000 1.661 1.511) 2.245 5.367 ( 0.000 -7.192 10.343) 12.598 5.439 ( 0.000 8.987 6.721) 11.222 5.494 ( 0.000 0.007 -0.934) 0.934 5.598 ( 0.000 -1.143 -5.708) 5.821 5.730 ( 0.000 -0.306 0.627) 0.698 5.751 ( 0.000 2.590 -3.805) 4.603 5.860 ( 0.000 1.605 0.702) 1.752 5.963 ( 0.000 -2.298 -5.660) 6.108 6.400 ( 0.000 -9.855 -2.202) 10.098 6.405 ( 0.000 -7.921 -1.635) 8.088 6.839 ( 0.000 9.631 3.792) 10.351 6.906 ( 0.000 11.649 0.400) 11.656 6.984 ( 0.000 1.311 -1.943) 2.344 6.998 ( 0.000 3.535 -1.218) 3.739 7.064 ( 0.000 3.203 3.524) 4.762 7.109 ( 0.000 2.532 -0.636) 2.610 7.334 ( 0.000 -3.809 8.589) 9.395 7.442 ( 0.000 -5.300 -0.703) 5.346 7.456 ( 0.000 -2.412 3.732) 4.443 7.550 ( 0.000 -3.274 -4.634) 5.674 7.859 ( 0.000 6.307 3.624) 7.274 7.945 ( 0.000 3.845 -4.612) 6.004 8.159 ( 0.000 23.006 7.715) 24.265 8.289 ( 0.000 6.102 -1.101) 6.201 8.313 ( 0.000 -15.198 1.187) 15.244 8.323 ( 0.000 -5.969 -3.643) 6.993 8.570 ( 0.000 4.824 7.474) 8.896 8.705 ( 0.000 -3.308 -3.267) 4.649 8.759 ( 0.000 -7.772 -1.477) 7.912 8.812 ( 0.000 9.666 -8.676) 12.989 9.171 ( 0.000 -7.814 4.628) 9.081 9.324 ( 0.000 -3.596 -9.613) 10.263 9.706 ( 0.000 -9.441 5.634) 10.995 9.802 ( 0.000 -10.344 -3.667) 10.974 10.381 ( 0.000 3.125 2.975) 4.315 10.430 ( 0.000 1.799 -1.448) 2.310 10.659 ( 0.000 12.983 3.044) 13.335 10.686 ( 0.000 9.497 0.564) 9.513 11.205 ( 0.000 22.774 -0.262) 22.776 11.223 ( 0.000 18.031 -1.979) 18.139 11.253 ( 0.000 9.632 3.928) 10.402 11.351 ( 0.000 11.090 -5.021) 12.174 11.393 ( 0.000 -1.535 2.390) 2.840 11.466 ( 0.000 -2.673 -4.394) 5.143 12.062 ( 0.000 0.464 2.439) 2.483 12.091 ( 0.000 5.169 -0.639) 5.209 12.115 ( 0.000 4.090 -0.278) 4.099 12.190 ( 0.000 -6.852 -6.985) 9.785 12.652 ( 0.000 -9.802 6.611) 11.823 12.736 ( 0.000 1.596 5.169) 5.410 12.782 ( 0.000 -10.570 -3.764) 11.220 12.820 ( 0.000 5.032 -0.115) 5.034 13.105 ( 0.000 -10.653 -1.329) 10.735 13.125 ( 0.000 -9.705 -3.093) 10.186 13.575 ( 0.000 -13.637 2.567) 13.876 13.703 ( 0.000 -14.462 -8.738) 16.897 14.231 ( 0.000 8.239 6.750) 10.651 14.328 ( 0.000 6.727 -2.469) 7.165 14.615 ( 0.000 -5.368 4.689) 7.128 14.684 ( 0.000 -7.163 -1.719) 7.366 14.828 ( 0.000 -8.771 4.443) 9.832 14.877 ( 0.000 -6.923 -0.416) 6.936 16.475 ( 0.000 9.651 15.641) 18.378 16.665 ( 0.000 9.426 -1.644) 9.568 16.984 ( 0.000 3.123 15.891) 16.195 17.161 ( 0.000 2.199 2.996) 3.716 17.463 ( 0.000 37.806 5.598) 38.218 17.505 ( 0.000 42.438 -7.254) 43.053 17.687 ( 0.000 26.030 9.635) 27.756 18.044 ( 0.000 15.214 -18.241) 23.753 18.248 ( 0.000 4.789 -4.241) 6.397 18.288 ( 0.000 3.208 -8.256) 8.857 18.754 ( 0.000 5.646 -1.178) 5.767 18.891 ( 0.000 2.266 -12.675) 12.876 18.993 ( 0.000 -6.375 -0.971) 6.449 18.993 ( 0.000 -4.821 -1.497) 5.048 19.372 ( 0.000 -7.242 1.705) 7.440 19.411 ( 0.000 -7.486 -1.751) 7.688 24.243 ( 0.000 17.716 14.448) 22.861 24.379 ( 0.000 24.304 14.305) 28.201 24.473 ( 0.000 18.615 -10.403) 21.325 24.777 ( 0.000 17.303 -20.572) 26.882 25.589 ( 0.000 -16.850 8.841) 19.028 25.770 ( 0.000 -16.364 -8.330) 18.363 25.965 ( 0.000 -14.189 8.436) 16.507 26.159 ( 0.000 -13.629 -9.825) 16.801 ======================= Grid point 151 (56/60) ======================= q-point: ( 0.20 0.29 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( 4.623 4.227 10.885) 12.558 2.309 ( 5.942 1.989 3.051) 6.969 2.329 ( 6.930 3.175 1.471) 7.763 2.480 ( 4.096 0.872 -7.069) 8.217 2.676 ( 0.770 26.951 3.570) 27.197 2.691 ( 2.079 26.670 1.717) 26.805 2.986 ( -0.774 2.976 3.508) 4.665 3.078 ( -2.379 12.857 -5.321) 14.116 3.247 ( 1.167 16.978 6.240) 18.126 3.292 ( -1.760 38.521 0.563) 38.565 3.331 ( 0.414 30.738 -0.099) 30.741 3.410 ( -1.188 3.780 -6.320) 7.460 3.572 ( 10.569 0.264 1.023) 10.621 3.701 ( 12.836 5.772 -9.051) 16.733 4.011 ( -2.852 -2.167 0.525) 3.621 4.035 ( -2.662 -4.930 -1.730) 5.864 4.293 ( -0.520 -7.553 -2.586) 8.000 4.314 ( -1.051 -7.585 -4.948) 9.117 4.472 ( -2.217 -1.542 2.749) 3.854 4.547 ( -3.048 0.437 -4.025) 5.068 5.092 ( -2.673 0.980 8.193) 8.673 5.256 ( 4.712 -1.401 -1.894) 5.268 5.265 ( -9.083 -6.254 8.713) 14.054 5.428 ( -1.459 8.764 6.353) 10.922 5.472 ( -3.167 -6.859 -3.344) 8.262 5.507 ( -5.656 7.350 -1.885) 9.463 5.771 ( 2.687 -0.258 0.654) 2.777 5.812 ( 4.727 -0.020 -2.678) 5.433 5.866 ( 0.345 0.256 0.837) 0.941 5.952 ( -1.029 -1.824 -4.921) 5.348 6.392 ( -0.646 -9.285 -2.147) 9.552 6.402 ( -0.378 -7.920 -2.210) 8.231 6.829 ( -0.809 9.025 2.924) 9.521 6.880 ( -2.461 10.879 -0.849) 11.186 6.989 ( 1.133 2.836 1.080) 3.239 7.021 ( 0.990 5.703 -1.051) 5.883 7.092 ( 3.578 -0.256 2.458) 4.349 7.138 ( 2.482 0.735 -1.476) 2.979 7.303 ( -3.749 -3.657 6.192) 8.109 7.358 ( -6.210 -3.637 1.184) 7.294 7.457 ( -0.572 -2.011 3.370) 3.966 7.551 ( -0.207 -2.506 -3.865) 4.611 7.838 ( -1.991 8.732 2.100) 9.199 7.899 ( -3.711 6.856 -3.316) 8.471 8.227 ( 3.852 12.663 7.341) 15.135 8.287 ( 0.847 -10.252 2.600) 10.610 8.296 ( -1.139 -16.396 0.128) 16.436 8.387 ( 6.737 11.556 -6.465) 14.857 8.556 ( -1.732 4.122 6.809) 8.146 8.695 ( -1.316 -4.715 -4.626) 6.735 8.755 ( -0.276 -3.424 -1.138) 3.619 8.802 ( -1.171 6.503 -7.292) 9.841 9.196 ( 3.037 -6.156 4.936) 8.454 9.341 ( 1.461 -4.269 -8.312) 9.457 9.728 ( 2.140 -5.739 4.467) 7.581 9.816 ( 0.950 -6.936 -3.704) 7.920 10.425 ( 4.484 3.360 2.443) 6.113 10.461 ( 3.209 2.597 -0.792) 4.204 10.668 ( 1.075 11.613 3.379) 12.142 10.702 ( 1.250 9.434 0.361) 9.523 11.148 ( -4.461 21.000 0.559) 21.476 11.190 ( -2.662 18.359 -3.082) 18.805 11.285 ( 2.054 9.444 2.459) 9.972 11.347 ( -0.853 4.614 -2.719) 5.423 11.405 ( 1.335 4.753 1.713) 5.225 11.483 ( 1.038 -0.496 -4.907) 5.040 12.015 ( -3.677 2.572 2.314) 5.049 12.062 ( -4.448 5.177 -1.908) 7.087 12.116 ( 1.258 -1.932 1.584) 2.797 12.201 ( 0.204 -5.770 -5.349) 7.871 12.577 ( -5.800 -11.638 3.517) 13.470 12.668 ( -7.095 -10.642 -2.814) 13.096 12.797 ( 3.381 1.995 4.262) 5.795 12.871 ( 4.084 3.931 -0.865) 5.734 13.136 ( 2.743 -10.421 -0.598) 10.792 13.154 ( 2.247 -9.955 -2.165) 10.432 13.669 ( 9.398 -11.348 3.328) 15.105 13.790 ( 8.830 -12.449 -7.571) 17.037 14.204 ( -3.601 6.651 6.770) 10.151 14.301 ( -3.297 5.586 -2.475) 6.942 14.589 ( -2.044 -4.592 4.927) 7.038 14.667 ( -1.959 -8.132 -2.199) 8.649 14.804 ( -2.070 -7.155 4.099) 8.502 14.853 ( -2.459 -6.692 -0.554) 7.151 16.493 ( 2.015 9.975 14.670) 17.854 16.651 ( -1.645 9.757 0.454) 9.905 16.999 ( 1.485 6.241 13.482) 14.930 17.132 ( -2.752 6.371 3.210) 7.646 17.442 ( 0.761 38.078 6.032) 38.560 17.564 ( 1.479 34.161 -5.859) 34.691 17.748 ( 7.610 23.673 8.635) 26.322 18.046 ( -0.309 13.507 -13.609) 19.176 18.281 ( 2.994 7.428 -5.239) 9.570 18.312 ( 3.714 3.506 -9.754) 11.011 18.707 ( -4.945 4.613 -2.458) 7.196 18.838 ( -5.803 2.001 -12.941) 14.323 18.916 ( -5.399 -5.165 0.073) 7.472 18.955 ( -4.787 -5.386 -3.369) 7.955 19.413 ( 3.656 -7.796 1.489) 8.739 19.446 ( 2.829 -7.735 -1.438) 8.361 24.203 ( -2.898 21.837 14.286) 26.255 24.321 ( -5.049 26.446 9.422) 28.525 24.553 ( 6.515 15.393 -6.839) 18.060 24.778 ( -0.367 15.768 -18.945) 24.651 25.615 ( 2.704 -16.672 8.686) 18.992 25.773 ( -0.082 -16.142 -4.841) 16.853 25.966 ( 0.515 -14.349 4.864) 15.160 26.135 ( -2.569 -13.764 -9.521) 16.932 ======================= Grid point 152 (57/60) ======================= q-point: ( 0.40 0.29 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( 5.816 5.938 7.229) 11.016 2.342 ( -0.807 5.565 0.855) 5.688 2.452 ( 3.131 5.433 1.056) 6.359 2.503 ( -2.005 6.339 -3.032) 7.307 2.716 ( 4.114 20.784 1.027) 21.212 2.744 ( 1.826 20.629 -2.118) 20.818 3.023 ( 3.484 11.337 1.586) 11.966 3.057 ( -0.400 15.526 -1.976) 15.657 3.262 ( -0.369 32.091 -0.277) 32.095 3.283 ( -1.599 34.894 -1.532) 34.965 3.317 ( 4.593 8.480 4.963) 10.846 3.410 ( -2.223 0.947 -3.529) 4.277 3.777 ( 9.982 -0.833 7.242) 12.360 3.917 ( -2.280 0.483 3.264) 4.010 3.940 ( 5.466 1.610 -6.068) 8.324 3.998 ( 0.016 0.512 -2.537) 2.588 4.289 ( 0.759 -5.832 -2.278) 6.307 4.329 ( 3.581 -1.705 -5.685) 6.932 4.368 ( -7.237 -3.296 1.028) 8.019 4.454 ( -7.780 -0.656 -6.312) 10.040 5.054 ( -0.216 -3.842 8.318) 9.165 5.112 ( -6.525 -6.099 6.213) 10.880 5.355 ( 5.180 -1.775 -2.753) 6.129 5.389 ( -1.181 5.097 0.345) 5.243 5.400 ( -2.584 0.926 2.059) 3.431 5.445 ( -3.555 1.591 -1.546) 4.190 5.816 ( 2.437 -0.315 2.267) 3.343 5.853 ( -1.256 1.533 1.598) 2.546 5.889 ( 2.972 -3.513 -2.443) 5.210 5.930 ( -1.564 -1.768 -3.498) 4.220 6.386 ( 0.060 -8.273 -2.536) 8.653 6.393 ( -0.583 -7.890 -2.823) 8.400 6.820 ( 0.083 9.296 1.538) 9.423 6.838 ( -1.854 9.963 0.064) 10.134 7.020 ( 2.335 2.579 1.955) 3.990 7.042 ( 0.736 2.053 0.521) 2.242 7.146 ( 1.425 1.998 -0.343) 2.478 7.171 ( -0.186 0.755 -2.167) 2.302 7.232 ( -1.615 -3.580 3.493) 5.256 7.259 ( -3.749 -4.020 0.618) 5.531 7.474 ( 2.615 -0.555 4.293) 5.058 7.529 ( -2.507 -1.168 -0.065) 2.767 7.811 ( -0.230 10.481 -0.729) 10.508 7.837 ( -2.815 9.213 -2.702) 10.005 8.232 ( -0.174 -13.960 2.864) 14.251 8.252 ( -2.157 -16.163 0.643) 16.319 8.396 ( 6.856 7.025 5.331) 11.170 8.500 ( -4.448 4.580 6.246) 8.932 8.523 ( 7.464 5.519 -5.837) 10.965 8.640 ( -5.043 -1.031 -5.829) 7.776 8.757 ( 0.681 -0.509 -1.953) 2.130 8.777 ( -1.353 1.187 -4.334) 4.693 9.279 ( 5.393 -4.844 2.910) 7.811 9.349 ( -1.504 -5.713 -3.157) 6.698 9.771 ( 2.528 1.518 0.581) 3.005 9.813 ( -1.581 0.025 -2.933) 3.332 10.514 ( 4.053 4.096 1.227) 5.892 10.525 ( 2.751 4.290 0.340) 5.108 10.689 ( 1.103 9.359 2.946) 9.874 10.710 ( -0.718 8.656 1.258) 8.776 11.097 ( -0.167 19.218 -0.094) 19.218 11.136 ( -3.281 18.738 -3.644) 19.369 11.312 ( 0.858 5.914 0.662) 6.013 11.326 ( -1.042 2.570 -0.028) 2.773 11.439 ( 2.331 7.188 -0.350) 7.565 11.479 ( -1.593 3.689 -3.662) 5.436 11.962 ( -1.360 1.857 2.512) 3.407 11.982 ( -3.432 3.176 0.615) 4.716 12.143 ( 1.856 -4.222 0.848) 4.689 12.182 ( -2.082 -5.475 -1.725) 6.106 12.509 ( -0.864 -13.749 -2.165) 13.945 12.549 ( -4.994 -14.234 -4.911) 15.864 12.879 ( 4.468 4.561 4.183) 7.633 12.920 ( 0.442 3.980 0.505) 4.036 13.179 ( 1.608 -10.396 -0.696) 10.543 13.185 ( 0.925 -10.324 -1.205) 10.436 13.870 ( 11.931 -6.616 5.084) 14.559 13.981 ( 10.105 -7.760 -5.002) 13.687 14.089 ( -7.733 1.292 6.166) 9.974 14.194 ( -8.782 0.740 -3.480) 9.475 14.576 ( 1.058 -3.679 3.849) 5.429 14.619 ( -3.062 -6.380 0.182) 7.079 14.779 ( -0.160 -5.546 1.656) 5.790 14.803 ( -2.527 -5.936 -0.319) 6.459 16.544 ( 3.392 10.462 11.341) 15.798 16.606 ( -3.209 10.355 5.790) 12.290 17.033 ( 2.205 10.999 8.829) 14.276 17.078 ( -2.873 11.369 5.156) 12.810 17.486 ( 3.463 32.376 5.578) 33.035 17.546 ( -2.670 30.732 1.097) 30.868 17.910 ( 8.290 16.628 0.630) 18.591 18.015 ( -3.454 12.386 -6.405) 14.365 18.352 ( 5.291 8.536 -4.348) 10.944 18.405 ( 3.117 9.932 -7.600) 12.888 18.614 ( -2.281 0.612 -9.057) 9.360 18.701 ( -8.469 1.255 -14.295) 16.663 18.845 ( -1.561 -5.024 -0.846) 5.329 18.869 ( -3.780 -5.051 -2.949) 6.964 19.471 ( 2.175 -8.317 0.539) 8.614 19.483 ( 0.858 -8.214 -0.567) 8.278 24.179 ( 0.661 26.762 13.129) 29.816 24.228 ( -4.486 28.286 10.636) 30.550 24.668 ( 5.763 13.213 -10.400) 17.775 24.749 ( -3.043 13.625 -15.213) 20.648 25.679 ( 4.079 -16.247 7.615) 18.401 25.747 ( -2.965 -15.931 3.467) 16.572 26.000 ( 3.350 -14.458 -3.663) 15.286 26.072 ( -4.114 -14.123 -8.127) 16.805 ======================= Grid point 155 (58/60) ======================= q-point: ( 0.00 0.43 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( 0.000 1.879 11.789) 11.937 2.194 ( 0.000 -0.709 11.363) 11.385 2.369 ( 0.000 3.084 -6.593) 7.279 2.411 ( 0.000 -1.448 -8.597) 8.718 2.941 ( 0.000 4.030 6.687) 7.808 2.979 ( 0.000 -1.193 7.721) 7.813 3.139 ( 0.000 16.640 2.431) 16.817 3.256 ( 0.000 3.313 -2.749) 4.306 3.456 ( 0.000 10.939 1.775) 11.082 3.515 ( 0.000 3.820 -2.671) 4.661 3.632 ( 0.000 8.881 -4.618) 10.010 3.656 ( 0.000 9.199 -7.581) 11.921 3.730 ( 0.000 -2.575 -1.308) 2.888 3.762 ( 0.000 -0.859 -4.259) 4.345 4.047 ( 0.000 -0.181 -1.542) 1.553 4.078 ( 0.000 -9.202 -6.739) 11.405 4.181 ( 0.000 5.348 -1.869) 5.665 4.216 ( 0.000 17.514 -2.195) 17.651 4.450 ( 0.000 0.368 6.309) 6.319 4.591 ( 0.000 -4.074 -6.308) 7.509 5.146 ( 0.000 1.915 7.780) 8.012 5.221 ( 0.000 -5.593 5.851) 8.094 5.243 ( 0.000 2.288 4.239) 4.817 5.363 ( 0.000 -8.521 -1.840) 8.717 5.590 ( 0.000 5.351 6.801) 8.654 5.651 ( 0.000 0.757 1.087) 1.325 5.730 ( 0.000 0.213 -2.072) 2.083 5.743 ( 0.000 -2.843 -3.792) 4.739 5.951 ( 0.000 8.866 -1.495) 8.991 6.016 ( 0.000 8.762 -5.320) 10.250 6.175 ( 0.000 -12.953 -1.613) 13.053 6.218 ( 0.000 -11.022 -4.086) 11.755 6.969 ( 0.000 3.897 3.735) 5.398 7.003 ( 0.000 -0.032 1.380) 1.380 7.045 ( 0.000 2.564 0.747) 2.671 7.047 ( 0.000 1.371 0.569) 1.484 7.215 ( 0.000 7.622 0.757) 7.659 7.234 ( 0.000 5.882 -0.556) 5.908 7.319 ( 0.000 4.214 5.323) 6.789 7.371 ( 0.000 -0.465 0.614) 0.770 7.434 ( 0.000 0.533 2.625) 2.679 7.480 ( 0.000 -3.979 -1.085) 4.124 7.870 ( 0.000 -4.497 1.150) 4.641 7.905 ( 0.000 -9.234 -2.613) 9.596 8.104 ( 0.000 2.594 1.742) 3.125 8.132 ( 0.000 0.369 -0.487) 0.611 8.298 ( 0.000 -8.830 1.422) 8.944 8.306 ( 0.000 -9.570 0.688) 9.595 8.634 ( 0.000 8.086 7.087) 10.752 8.798 ( 0.000 -3.092 -5.304) 6.139 8.813 ( 0.000 0.471 -0.124) 0.487 8.817 ( 0.000 5.899 2.152) 6.279 9.254 ( 0.000 14.660 -2.387) 14.853 9.301 ( 0.000 3.709 -6.984) 7.908 9.491 ( 0.000 -11.863 2.896) 12.212 9.560 ( 0.000 -14.402 -3.330) 14.782 10.458 ( 0.000 3.869 1.198) 4.050 10.472 ( 0.000 2.075 -0.004) 2.075 10.812 ( 0.000 3.440 1.140) 3.624 10.829 ( 0.000 3.162 -0.044) 3.163 11.314 ( 0.000 -0.669 3.859) 3.917 11.332 ( 0.000 0.266 3.758) 3.768 11.441 ( 0.000 2.927 -1.590) 3.331 11.444 ( 0.000 -0.065 -2.695) 2.695 11.646 ( 0.000 18.706 -0.705) 18.719 11.690 ( 0.000 15.916 -4.062) 16.426 12.064 ( 0.000 1.618 1.045) 1.926 12.081 ( 0.000 -3.662 -0.356) 3.679 12.175 ( 0.000 1.491 -3.250) 3.576 12.189 ( 0.000 -1.090 -4.264) 4.401 12.493 ( 0.000 -4.304 3.743) 5.704 12.556 ( 0.000 -9.453 -1.795) 9.622 12.806 ( 0.000 4.268 8.309) 9.341 12.862 ( 0.000 -1.498 3.597) 3.896 12.959 ( 0.000 -2.714 -1.645) 3.173 13.001 ( 0.000 -3.400 -4.167) 5.378 13.358 ( 0.000 -5.548 -2.657) 6.151 13.440 ( 0.000 -11.596 -8.819) 14.569 14.378 ( 0.000 6.405 4.683) 7.934 14.426 ( 0.000 2.216 0.010) 2.216 14.544 ( 0.000 -1.577 3.537) 3.873 14.571 ( 0.000 -4.206 1.588) 4.496 14.714 ( 0.000 -2.311 2.974) 3.766 14.755 ( 0.000 -5.383 -0.545) 5.410 16.671 ( 0.000 10.699 16.649) 19.790 16.848 ( 0.000 2.556 6.357) 6.851 16.888 ( 0.000 -1.278 11.140) 11.214 17.066 ( 0.000 -9.304 1.241) 9.386 18.083 ( 0.000 16.718 2.912) 16.970 18.085 ( 0.000 15.605 -3.924) 16.091 18.117 ( 0.000 14.632 -5.197) 15.527 18.229 ( 0.000 -1.117 -11.355) 11.410 18.398 ( 0.000 15.394 0.703) 15.410 18.496 ( 0.000 18.868 -7.001) 20.125 18.783 ( 0.000 -11.108 1.253) 11.179 18.853 ( 0.000 -10.415 -4.540) 11.361 18.946 ( 0.000 9.907 -2.123) 10.132 18.997 ( 0.000 9.183 -7.518) 11.867 19.181 ( 0.000 -12.473 0.428) 12.481 19.219 ( 0.000 -12.246 -2.950) 12.596 24.669 ( 0.000 25.954 12.570) 28.837 24.896 ( 0.000 24.128 -9.525) 25.940 24.953 ( 0.000 33.578 10.009) 35.038 25.180 ( 0.000 -22.267 8.268) 23.753 25.229 ( 0.000 25.817 -13.673) 29.214 25.380 ( 0.000 -23.743 -9.165) 25.450 25.565 ( 0.000 -27.250 8.206) 28.458 25.777 ( 0.000 -25.904 -11.435) 28.316 ======================= Grid point 156 (59/60) ======================= q-point: ( 0.20 0.43 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.243 ( 6.925 3.333 9.569) 12.273 2.294 ( 8.958 -1.896 8.152) 12.260 2.409 ( 3.826 3.690 -5.281) 7.493 2.461 ( 4.521 -1.894 -6.894) 8.459 2.953 ( 1.990 5.328 4.236) 7.092 2.996 ( 1.749 0.057 1.771) 2.490 3.178 ( 5.267 17.125 7.873) 19.570 3.286 ( 3.059 4.673 0.458) 5.604 3.391 ( -5.467 9.071 0.317) 10.596 3.476 ( -5.479 0.742 -6.407) 8.463 3.613 ( 1.624 7.771 2.066) 8.204 3.715 ( -1.732 0.376 -2.995) 3.480 3.773 ( 6.883 7.067 -1.621) 9.997 3.842 ( 8.767 1.676 -8.227) 12.139 4.020 ( -1.297 -0.193 -1.598) 2.066 4.059 ( -0.654 -10.042 -7.293) 12.429 4.188 ( -0.884 8.154 -0.364) 8.210 4.211 ( -0.147 11.195 -2.342) 11.438 4.468 ( 0.422 2.105 5.175) 5.602 4.572 ( -2.761 -1.482 -3.794) 4.921 5.118 ( -3.574 1.429 4.267) 5.747 5.151 ( -5.980 -3.899 4.255) 8.311 5.217 ( -1.970 -0.794 4.269) 4.768 5.315 ( -4.368 -8.421 -2.090) 9.714 5.577 ( -1.240 6.483 6.313) 9.134 5.643 ( -1.362 5.073 0.822) 5.317 5.717 ( -0.392 -4.888 -0.187) 4.907 5.758 ( 0.677 -4.389 -2.271) 4.988 5.964 ( 1.280 9.185 -1.901) 9.467 6.016 ( -0.074 8.771 -4.848) 10.022 6.180 ( 0.628 -12.218 -1.979) 12.393 6.217 ( -0.200 -10.929 -4.027) 11.649 6.961 ( -0.514 5.446 3.218) 6.346 7.001 ( -0.565 3.598 -0.486) 3.675 7.052 ( 0.756 -2.539 2.494) 3.639 7.066 ( 1.984 -0.485 0.653) 2.144 7.192 ( -2.287 7.934 0.764) 8.292 7.209 ( -2.326 5.104 -0.775) 5.662 7.274 ( -4.208 0.550 3.132) 5.274 7.300 ( -5.541 -1.886 1.027) 5.942 7.460 ( 2.808 3.943 3.513) 5.981 7.524 ( 3.381 -0.383 -1.838) 3.867 7.846 ( -2.644 -6.120 1.711) 6.882 7.890 ( -2.130 -9.616 -2.639) 10.197 8.103 ( 0.053 4.376 1.264) 4.555 8.117 ( -0.929 2.133 0.174) 2.333 8.310 ( 1.152 -9.954 1.604) 10.148 8.327 ( 1.673 -11.403 0.048) 11.525 8.630 ( -0.199 8.514 6.063) 10.454 8.738 ( -4.189 7.590 -1.903) 8.876 8.798 ( -0.752 -8.073 2.435) 8.466 8.834 ( -0.603 0.595 -2.570) 2.706 9.292 ( 3.795 14.953 -1.962) 15.551 9.332 ( 3.005 6.336 -5.773) 9.083 9.547 ( 5.270 -11.775 1.364) 12.973 9.602 ( 3.715 -14.389 -3.191) 15.200 10.513 ( 5.880 4.447 1.176) 7.465 10.524 ( 5.609 3.060 0.262) 6.395 10.815 ( 0.045 3.337 1.615) 3.708 10.833 ( 0.065 2.463 0.216) 2.473 11.323 ( 1.010 1.314 3.918) 4.254 11.357 ( 2.170 0.468 2.532) 3.367 11.420 ( -0.999 3.513 0.231) 3.659 11.467 ( 1.081 -0.788 -2.375) 2.726 11.628 ( -1.558 19.872 -1.124) 19.965 11.677 ( -1.539 16.344 -4.439) 17.006 12.060 ( -3.038 -3.701 0.121) 4.790 12.070 ( -0.093 4.015 -0.178) 4.020 12.106 ( -5.978 -2.909 -0.340) 6.657 12.162 ( -2.272 -2.284 -5.027) 5.971 12.387 ( -8.626 -5.116 1.549) 10.148 12.441 ( -9.795 -9.555 -2.866) 13.981 12.859 ( 4.524 2.977 5.635) 7.815 12.899 ( 3.770 -1.353 1.709) 4.355 12.979 ( 1.963 -3.715 -0.669) 4.254 13.011 ( 0.853 -4.687 -2.752) 5.501 13.506 ( 13.994 -3.475 -0.670) 14.435 13.570 ( 12.871 -9.069 -6.141) 16.900 14.311 ( -7.959 4.235 5.133) 10.374 14.360 ( -7.608 -0.263 0.557) 7.633 14.554 ( 0.681 0.304 1.983) 2.119 14.563 ( 0.562 -1.856 1.263) 2.315 14.703 ( -1.184 -2.635 2.625) 3.903 14.737 ( -1.917 -5.086 -0.285) 5.443 16.698 ( 2.813 11.223 15.574) 19.401 16.853 ( -0.422 9.984 2.216) 10.236 16.910 ( 3.002 -8.469 15.917) 18.278 17.064 ( -0.400 -9.352 3.039) 9.842 18.029 ( -2.142 18.990 0.106) 19.111 18.091 ( -2.487 15.725 -4.690) 16.597 18.150 ( 2.763 10.802 -3.245) 11.612 18.210 ( -1.398 -0.358 -8.290) 8.414 18.420 ( 3.095 12.785 1.119) 13.202 18.556 ( 5.535 15.189 -9.178) 18.590 18.734 ( -3.836 -8.446 0.589) 9.295 18.823 ( -3.913 -8.263 -6.060) 10.969 18.888 ( -5.174 11.846 -0.209) 12.928 18.971 ( -3.104 12.052 -8.535) 15.091 19.195 ( 1.688 -15.363 0.891) 15.482 19.240 ( 1.462 -13.709 -3.333) 14.184 24.687 ( 2.072 27.526 13.141) 30.572 24.912 ( -2.460 28.832 9.457) 30.443 24.943 ( 3.131 28.518 -9.154) 30.115 25.194 ( -0.807 8.766 -6.348) 10.853 25.220 ( 1.256 -5.882 0.886) 6.079 25.391 ( 0.473 -22.995 -5.256) 23.593 25.560 ( 0.057 -27.853 4.175) 28.164 25.751 ( -2.853 -26.004 -11.339) 28.512 ======================= Grid point 157 (60/60) ======================= q-point: ( 0.40 0.43 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.372 ( 6.385 4.631 4.412) 9.038 2.428 ( 3.592 1.207 -0.330) 3.803 2.460 ( 1.602 0.555 1.013) 1.975 2.508 ( -0.654 -2.096 -2.980) 3.702 3.042 ( 7.033 9.774 -0.232) 12.043 3.063 ( 5.079 7.850 -1.939) 9.548 3.275 ( -2.892 -0.267 2.055) 3.558 3.299 ( -3.960 -0.045 -0.818) 4.044 3.328 ( 5.514 15.555 6.970) 17.915 3.399 ( -0.913 12.541 -0.922) 12.608 3.612 ( -1.097 -1.388 3.791) 4.183 3.649 ( -4.691 -1.876 1.319) 5.222 3.895 ( 5.646 7.168 -0.447) 9.136 3.958 ( 0.065 4.822 -4.770) 6.783 4.079 ( 6.864 -5.062 -4.860) 9.816 4.088 ( 2.367 -8.049 -6.268) 10.472 4.170 ( 2.034 12.438 1.789) 12.730 4.225 ( 2.720 8.615 -3.324) 9.627 4.404 ( -6.181 1.676 2.567) 6.900 4.469 ( -8.694 -0.550 -2.628) 9.099 5.043 ( -1.803 3.395 3.170) 4.983 5.067 ( -3.562 3.422 2.183) 5.400 5.206 ( 0.843 -9.757 0.791) 9.825 5.242 ( -3.142 -10.140 -1.400) 10.707 5.564 ( 0.429 8.759 4.194) 9.721 5.598 ( -2.934 8.484 1.239) 9.062 5.728 ( 1.360 -7.941 2.112) 8.329 5.753 ( -1.097 -7.579 0.511) 7.675 5.990 ( 1.389 9.429 -2.964) 9.981 6.010 ( -0.712 9.027 -3.979) 9.891 6.196 ( 0.925 -11.161 -2.791) 11.541 6.210 ( -0.580 -10.834 -3.565) 11.420 6.961 ( 0.633 6.398 1.685) 6.646 6.981 ( -1.408 6.168 -0.361) 6.337 7.075 ( 1.548 -3.783 3.089) 5.124 7.093 ( 0.231 -4.371 1.181) 4.534 7.154 ( -0.924 5.490 0.471) 5.587 7.168 ( -1.829 2.691 -1.167) 3.456 7.213 ( -1.910 -0.700 1.205) 2.364 7.216 ( -2.816 -0.946 1.271) 3.232 7.530 ( 4.264 7.792 2.399) 9.201 7.571 ( 0.748 6.417 -1.388) 6.608 7.795 ( -1.526 -11.349 1.415) 11.538 7.827 ( -4.036 -11.870 -1.696) 12.652 8.109 ( 0.481 6.904 0.842) 6.971 8.113 ( 0.080 6.242 0.446) 6.258 8.331 ( 1.052 -12.726 1.098) 12.817 8.344 ( -0.039 -13.696 -0.130) 13.697 8.636 ( 1.115 8.328 3.718) 9.188 8.673 ( -2.886 7.570 0.858) 8.147 8.791 ( 0.162 -6.331 1.101) 6.428 8.808 ( -1.634 -3.994 -0.991) 4.428 9.363 ( 3.066 13.838 -2.174) 14.340 9.379 ( 1.304 10.616 -3.698) 11.317 9.635 ( 3.451 -12.761 -1.029) 13.259 9.655 ( 1.298 -13.915 -2.511) 14.199 10.643 ( 6.900 6.851 1.145) 9.791 10.649 ( 6.550 6.458 0.721) 9.226 10.800 ( -1.775 1.148 1.870) 2.822 10.812 ( -2.611 0.607 0.972) 2.851 11.343 ( 1.244 4.646 3.767) 6.109 11.371 ( -1.278 5.215 1.259) 5.515 11.430 ( 2.444 0.181 1.743) 3.007 11.470 ( -1.163 -1.491 -1.379) 2.340 11.609 ( 0.089 21.555 -1.853) 21.635 11.638 ( -2.471 19.126 -3.404) 19.584 11.968 ( -4.487 -6.971 -0.714) 8.321 11.974 ( -4.746 -6.850 -1.322) 8.438 12.111 ( 2.407 1.759 0.334) 3.000 12.143 ( -0.505 1.210 -2.534) 2.853 12.265 ( -3.463 -8.932 -1.771) 9.742 12.292 ( -5.699 -9.995 -3.819) 12.123 12.938 ( 3.528 1.783 2.527) 4.692 12.960 ( 1.650 0.460 0.339) 1.746 13.010 ( 1.282 -5.747 -0.262) 5.894 13.023 ( 0.119 -5.589 -1.423) 5.769 13.794 ( 16.863 -0.453 2.487) 17.051 13.849 ( 16.572 -5.474 -2.556) 17.639 14.099 ( -14.596 0.956 4.655) 15.350 14.152 ( -14.679 -4.027 -0.344) 15.226 14.577 ( 1.827 2.656 1.834) 3.709 14.589 ( 1.095 2.123 0.804) 2.521 14.678 ( -0.961 -4.462 1.597) 4.836 14.695 ( -2.338 -5.145 0.179) 5.654 16.762 ( 3.879 12.083 12.118) 17.546 16.824 ( -2.691 12.103 6.625) 14.057 16.982 ( 4.196 -9.914 12.824) 16.743 17.042 ( -2.256 -9.587 7.613) 12.448 18.012 ( 0.378 19.083 -0.903) 19.108 18.041 ( -2.592 18.090 -2.993) 18.519 18.177 ( 0.690 3.684 -4.310) 5.711 18.191 ( -0.864 0.874 -5.620) 5.752 18.519 ( 7.438 8.701 -0.238) 11.449 18.640 ( -1.185 2.920 -9.643) 10.145 18.677 ( -0.167 -2.980 -1.014) 3.152 18.731 ( -4.358 -3.194 -5.404) 7.642 18.822 ( -0.137 17.483 -1.981) 17.596 18.889 ( -5.465 17.779 -8.389) 20.404 19.231 ( 1.870 -17.579 -0.512) 17.686 19.252 ( -0.299 -16.466 -2.464) 16.652 24.746 ( 4.333 30.214 13.801) 33.498 24.834 ( -5.112 31.714 13.311) 34.772 25.034 ( 5.758 25.084 -13.408) 29.020 25.133 ( -4.818 25.367 -14.376) 29.553 25.286 ( 4.631 -23.502 8.598) 25.450 25.365 ( -3.494 -23.066 5.042) 23.868 25.596 ( 3.959 -27.493 -6.422) 28.509 25.680 ( -4.720 -26.452 -10.497) 28.847 =================== 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 3/34020 10.0 2529.431 2161.149 1956.747 0.000 0.000 -0.000 3/34020 20.0 482.534 694.134 368.974 0.000 0.000 -0.000 3/34020 30.0 191.625 331.126 131.114 0.000 0.000 -0.000 3/34020 40.0 103.041 186.877 63.278 0.000 0.000 -0.000 3/34020 50.0 65.132 119.780 37.088 0.000 0.000 -0.000 3/34020 60.0 45.593 84.117 24.785 0.000 0.000 -0.000 3/34020 70.0 34.192 63.092 18.097 0.000 0.000 -0.000 3/34020 80.0 26.921 49.668 14.042 0.000 0.000 -0.000 3/34020 90.0 21.969 40.550 11.377 0.000 0.000 -0.000 3/34020 100.0 18.423 34.048 9.516 0.000 0.000 -0.000 3/34020 110.0 15.786 29.228 8.156 0.000 0.000 -0.000 3/34020 120.0 13.761 25.541 7.125 0.000 0.000 -0.000 3/34020 130.0 12.169 22.645 6.321 0.000 0.000 -0.000 3/34020 140.0 10.889 20.322 5.679 0.000 0.000 -0.000 3/34020 150.0 9.842 18.423 5.156 0.000 0.000 -0.000 3/34020 160.0 8.973 16.846 4.724 0.000 0.000 -0.000 3/34020 170.0 8.242 15.518 4.360 0.000 0.000 -0.000 3/34020 180.0 7.619 14.387 4.051 0.000 0.000 -0.000 3/34020 190.0 7.083 13.412 3.785 0.000 0.000 -0.000 3/34020 200.0 6.618 12.564 3.553 0.000 0.000 -0.000 3/34020 210.0 6.210 11.821 3.351 0.000 0.000 -0.000 3/34020 220.0 5.851 11.164 3.171 0.000 0.000 -0.000 3/34020 230.0 5.531 10.578 3.012 0.000 0.000 -0.000 3/34020 240.0 5.245 10.054 2.869 0.000 0.000 -0.000 3/34020 250.0 4.988 9.582 2.740 0.000 0.000 -0.000 3/34020 260.0 4.756 9.154 2.623 0.000 0.000 -0.000 3/34020 270.0 4.545 8.765 2.517 0.000 0.000 -0.000 3/34020 280.0 4.353 8.409 2.419 0.000 0.000 -0.000 3/34020 290.0 4.177 8.082 2.329 0.000 0.000 -0.000 3/34020 300.0 4.015 7.781 2.247 0.000 0.000 -0.000 3/34020 310.0 3.865 7.503 2.170 0.000 0.000 -0.000 3/34020 320.0 3.727 7.245 2.099 0.000 0.000 -0.000 3/34020 330.0 3.598 7.005 2.032 0.000 0.000 -0.000 3/34020 340.0 3.479 6.781 1.970 0.000 0.000 -0.000 3/34020 350.0 3.367 6.572 1.912 0.000 0.000 -0.000 3/34020 360.0 3.263 6.376 1.858 0.000 0.000 -0.000 3/34020 370.0 3.165 6.191 1.806 0.000 0.000 -0.000 3/34020 380.0 3.073 6.018 1.758 0.000 0.000 -0.000 3/34020 390.0 2.986 5.854 1.712 0.000 0.000 -0.000 3/34020 400.0 2.905 5.699 1.668 0.000 0.000 -0.000 3/34020 410.0 2.828 5.553 1.627 0.000 0.000 -0.000 3/34020 420.0 2.754 5.414 1.588 0.000 0.000 -0.000 3/34020 430.0 2.685 5.282 1.551 0.000 0.000 -0.000 3/34020 440.0 2.619 5.157 1.516 0.000 0.000 -0.000 3/34020 450.0 2.557 5.037 1.482 0.000 0.000 -0.000 3/34020 460.0 2.497 4.924 1.450 0.000 0.000 -0.000 3/34020 470.0 2.441 4.815 1.419 0.000 0.000 -0.000 3/34020 480.0 2.387 4.711 1.389 0.000 0.000 -0.000 3/34020 490.0 2.335 4.612 1.361 0.000 0.000 -0.000 3/34020 500.0 2.285 4.517 1.334 0.000 0.000 -0.000 3/34020 510.0 2.238 4.426 1.308 0.000 0.000 -0.000 3/34020 520.0 2.193 4.338 1.283 0.000 0.000 -0.000 3/34020 530.0 2.149 4.254 1.259 0.000 0.000 -0.000 3/34020 540.0 2.107 4.173 1.235 0.000 0.000 -0.000 3/34020 550.0 2.067 4.096 1.213 0.000 0.000 -0.000 3/34020 560.0 2.028 4.021 1.191 0.000 0.000 -0.000 3/34020 570.0 1.991 3.949 1.171 0.000 0.000 -0.000 3/34020 580.0 1.955 3.879 1.151 0.000 0.000 -0.000 3/34020 590.0 1.921 3.812 1.131 0.000 0.000 -0.000 3/34020 600.0 1.887 3.747 1.113 0.000 0.000 -0.000 3/34020 610.0 1.855 3.685 1.094 0.000 0.000 -0.000 3/34020 620.0 1.824 3.624 1.077 0.000 0.000 -0.000 3/34020 630.0 1.794 3.566 1.060 0.000 0.000 -0.000 3/34020 640.0 1.765 3.509 1.044 0.000 0.000 -0.000 3/34020 650.0 1.737 3.455 1.028 0.000 0.000 -0.000 3/34020 660.0 1.710 3.401 1.012 0.000 0.000 -0.000 3/34020 670.0 1.684 3.350 0.997 0.000 0.000 -0.000 3/34020 680.0 1.658 3.300 0.983 0.000 0.000 -0.000 3/34020 690.0 1.633 3.252 0.969 0.000 0.000 -0.000 3/34020 700.0 1.609 3.205 0.955 0.000 0.000 -0.000 3/34020 710.0 1.586 3.159 0.942 0.000 0.000 -0.000 3/34020 720.0 1.563 3.115 0.929 0.000 0.000 -0.000 3/34020 730.0 1.541 3.071 0.916 0.000 0.000 -0.000 3/34020 740.0 1.520 3.029 0.904 0.000 0.000 -0.000 3/34020 750.0 1.499 2.989 0.892 0.000 0.000 -0.000 3/34020 760.0 1.479 2.949 0.880 0.000 0.000 -0.000 3/34020 770.0 1.459 2.910 0.869 0.000 0.000 -0.000 3/34020 780.0 1.440 2.873 0.858 0.000 0.000 -0.000 3/34020 790.0 1.421 2.836 0.847 0.000 0.000 -0.000 3/34020 800.0 1.403 2.800 0.836 0.000 0.000 -0.000 3/34020 810.0 1.386 2.765 0.826 0.000 0.000 -0.000 3/34020 820.0 1.368 2.731 0.816 0.000 0.000 -0.000 3/34020 830.0 1.352 2.698 0.806 0.000 0.000 -0.000 3/34020 840.0 1.335 2.666 0.797 0.000 0.000 -0.000 3/34020 850.0 1.319 2.634 0.788 0.000 0.000 -0.000 3/34020 860.0 1.303 2.603 0.779 0.000 0.000 -0.000 3/34020 870.0 1.288 2.573 0.770 0.000 0.000 -0.000 3/34020 880.0 1.273 2.544 0.761 0.000 0.000 -0.000 3/34020 890.0 1.259 2.515 0.752 0.000 0.000 -0.000 3/34020 900.0 1.245 2.487 0.744 0.000 0.000 -0.000 3/34020 910.0 1.231 2.460 0.736 0.000 0.000 -0.000 3/34020 920.0 1.217 2.433 0.728 0.000 0.000 -0.000 3/34020 930.0 1.204 2.406 0.720 0.000 0.000 -0.000 3/34020 940.0 1.191 2.381 0.713 0.000 0.000 -0.000 3/34020 950.0 1.178 2.355 0.705 0.000 0.000 -0.000 3/34020 960.0 1.166 2.331 0.698 0.000 0.000 -0.000 3/34020 970.0 1.153 2.307 0.691 0.000 0.000 -0.000 3/34020 980.0 1.141 2.283 0.684 0.000 0.000 -0.000 3/34020 990.0 1.130 2.260 0.677 0.000 0.000 -0.000 3/34020 1000.0 1.118 2.237 0.670 0.000 0.000 -0.000 3/34020 Thermal conductivity related properties were written into "kappa-m579.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:30:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|