----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 04:25:19]------------------------- 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 11.367683700000001 0.000000000000000 0.000000000000000 b 0.000000000000000 6.390775010000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.259946520000000 Atomic positions (fractional): *1 O 0.95421248273981 0.75000000000000 0.17197649480077 15.999 2 O 0.54578751726019 0.25000000000000 0.67197649480077 15.999 3 O 0.04578751726019 0.25000000000000 0.82802350519923 15.999 4 O 0.45421248273981 0.75000000000000 0.32802350519923 15.999 *5 O 0.82479106769158 0.04084920359574 0.79260826567805 15.999 6 O 0.67520893230842 0.95915079640426 0.29260826567805 15.999 7 O 0.17520893230842 0.54084920359574 0.20739173432195 15.999 8 O 0.32479106769158 0.45915079640426 0.70739173432195 15.999 9 O 0.17520893230842 0.95915079640426 0.20739173432195 15.999 10 O 0.32479106769158 0.04084920359574 0.70739173432195 15.999 11 O 0.82479106769158 0.45915079640426 0.79260826567805 15.999 12 O 0.67520893230842 0.54084920359574 0.29260826567805 15.999 *13 O 0.61150525350737 0.75000000000000 0.77623394300106 15.999 14 O 0.88849474649263 0.25000000000000 0.27623394300106 15.999 15 O 0.38849474649263 0.25000000000000 0.22376605699894 15.999 16 O 0.11150525350737 0.75000000000000 0.72376605699894 15.999 *17 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 18 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 19 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 20 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 *21 Ge 0.09787147787733 0.75000000000000 0.05208100340327 72.640 22 Ge 0.40212852212266 0.25000000000000 0.55208100340327 72.640 23 Ge 0.90212852212267 0.25000000000000 0.94791899659673 72.640 24 Ge 0.59787147787733 0.75000000000000 0.44791899659673 72.640 *25 Ho 0.77716404248522 0.75000000000000 0.00699791378803 164.930 26 Ho 0.72283595751478 0.25000000000000 0.50699791378803 164.930 27 Ho 0.22283595751478 0.25000000000000 0.99300208621197 164.930 28 Ho 0.27716404248522 0.75000000000000 0.49300208621197 164.930 -------------------------------- unit cell --------------------------------- Lattice vectors: a 11.367683700000001 0.000000000000000 0.000000000000000 b 0.000000000000000 6.390775010000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.259946520000000 Atomic positions (fractional): *1 O 0.95421248273981 0.75000000000000 0.17197649480077 15.999 > 1 2 O 0.54578751726019 0.25000000000000 0.67197649480077 15.999 > 2 3 O 0.04578751726019 0.25000000000000 0.82802350519923 15.999 > 3 4 O 0.45421248273981 0.75000000000000 0.32802350519923 15.999 > 4 *5 O 0.82479106769158 0.04084920359574 0.79260826567805 15.999 > 5 6 O 0.67520893230842 0.95915079640426 0.29260826567805 15.999 > 6 7 O 0.17520893230842 0.54084920359574 0.20739173432195 15.999 > 7 8 O 0.32479106769158 0.45915079640426 0.70739173432195 15.999 > 8 9 O 0.17520893230842 0.95915079640426 0.20739173432195 15.999 > 9 10 O 0.32479106769158 0.04084920359574 0.70739173432195 15.999 > 10 11 O 0.82479106769158 0.45915079640426 0.79260826567805 15.999 > 11 12 O 0.67520893230842 0.54084920359574 0.29260826567805 15.999 > 12 *13 O 0.61150525350737 0.75000000000000 0.77623394300106 15.999 > 13 14 O 0.88849474649263 0.25000000000000 0.27623394300106 15.999 > 14 15 O 0.38849474649263 0.25000000000000 0.22376605699894 15.999 > 15 16 O 0.11150525350737 0.75000000000000 0.72376605699894 15.999 > 16 *17 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 17 18 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 18 19 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 > 19 20 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 20 *21 Ge 0.09787147787733 0.75000000000000 0.05208100340327 72.640 > 21 22 Ge 0.40212852212266 0.25000000000000 0.55208100340327 72.640 > 22 23 Ge 0.90212852212267 0.25000000000000 0.94791899659673 72.640 > 23 24 Ge 0.59787147787733 0.75000000000000 0.44791899659673 72.640 > 24 *25 Ho 0.77716404248522 0.75000000000000 0.00699791378803 164.930 > 25 26 Ho 0.72283595751478 0.25000000000000 0.50699791378803 164.930 > 26 27 Ho 0.22283595751478 0.25000000000000 0.99300208621197 164.930 > 27 28 Ho 0.27716404248522 0.75000000000000 0.49300208621197 164.930 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.367683700000001 0.000000000000000 0.000000000000000 b 0.000000000000000 12.781550019999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.519893039999999 Atomic positions (fractional): *1 O 0.95421248273981 0.37500000000000 0.08598824740038 15.999 > 1 2 O 0.95421248273981 0.87500000000000 0.08598824740038 15.999 > 1 3 O 0.95421248273981 0.37500000000000 0.58598824740038 15.999 > 1 4 O 0.95421248273981 0.87500000000000 0.58598824740038 15.999 > 1 5 O 0.54578751726019 0.12500000000000 0.33598824740038 15.999 > 2 6 O 0.54578751726019 0.62500000000000 0.33598824740038 15.999 > 2 7 O 0.54578751726019 0.12500000000000 0.83598824740038 15.999 > 2 8 O 0.54578751726019 0.62500000000000 0.83598824740038 15.999 > 2 9 O 0.04578751726019 0.12500000000000 0.41401175259962 15.999 > 3 10 O 0.04578751726019 0.62500000000000 0.41401175259962 15.999 > 3 11 O 0.04578751726019 0.12500000000000 0.91401175259962 15.999 > 3 12 O 0.04578751726019 0.62500000000000 0.91401175259962 15.999 > 3 13 O 0.45421248273981 0.37500000000000 0.16401175259962 15.999 > 4 14 O 0.45421248273981 0.87500000000000 0.16401175259962 15.999 > 4 15 O 0.45421248273981 0.37500000000000 0.66401175259962 15.999 > 4 16 O 0.45421248273981 0.87500000000000 0.66401175259962 15.999 > 4 *17 O 0.82479106769158 0.02042460179787 0.39630413283903 15.999 > 5 18 O 0.82479106769158 0.52042460179787 0.39630413283903 15.999 > 5 19 O 0.82479106769158 0.02042460179787 0.89630413283903 15.999 > 5 20 O 0.82479106769158 0.52042460179787 0.89630413283903 15.999 > 5 21 O 0.67520893230842 0.47957539820213 0.14630413283903 15.999 > 6 22 O 0.67520893230842 0.97957539820213 0.14630413283903 15.999 > 6 23 O 0.67520893230842 0.47957539820213 0.64630413283903 15.999 > 6 24 O 0.67520893230842 0.97957539820213 0.64630413283903 15.999 > 6 25 O 0.17520893230842 0.27042460179787 0.10369586716097 15.999 > 7 26 O 0.17520893230842 0.77042460179787 0.10369586716097 15.999 > 7 27 O 0.17520893230842 0.27042460179787 0.60369586716097 15.999 > 7 28 O 0.17520893230842 0.77042460179787 0.60369586716097 15.999 > 7 29 O 0.32479106769158 0.22957539820213 0.35369586716097 15.999 > 8 30 O 0.32479106769158 0.72957539820213 0.35369586716097 15.999 > 8 31 O 0.32479106769158 0.22957539820213 0.85369586716097 15.999 > 8 32 O 0.32479106769158 0.72957539820213 0.85369586716097 15.999 > 8 33 O 0.17520893230842 0.47957539820213 0.10369586716097 15.999 > 9 34 O 0.17520893230842 0.97957539820213 0.10369586716097 15.999 > 9 35 O 0.17520893230842 0.47957539820213 0.60369586716097 15.999 > 9 36 O 0.17520893230842 0.97957539820213 0.60369586716097 15.999 > 9 37 O 0.32479106769158 0.02042460179787 0.35369586716097 15.999 > 10 38 O 0.32479106769158 0.52042460179787 0.35369586716097 15.999 > 10 39 O 0.32479106769158 0.02042460179787 0.85369586716097 15.999 > 10 40 O 0.32479106769158 0.52042460179787 0.85369586716097 15.999 > 10 41 O 0.82479106769158 0.22957539820213 0.39630413283903 15.999 > 11 42 O 0.82479106769158 0.72957539820213 0.39630413283903 15.999 > 11 43 O 0.82479106769158 0.22957539820213 0.89630413283903 15.999 > 11 44 O 0.82479106769158 0.72957539820213 0.89630413283903 15.999 > 11 45 O 0.67520893230842 0.27042460179787 0.14630413283903 15.999 > 12 46 O 0.67520893230842 0.77042460179787 0.14630413283903 15.999 > 12 47 O 0.67520893230842 0.27042460179787 0.64630413283903 15.999 > 12 48 O 0.67520893230842 0.77042460179787 0.64630413283903 15.999 > 12 *49 O 0.61150525350737 0.37500000000000 0.38811697150053 15.999 > 13 50 O 0.61150525350737 0.87500000000000 0.38811697150053 15.999 > 13 51 O 0.61150525350737 0.37500000000000 0.88811697150053 15.999 > 13 52 O 0.61150525350737 0.87500000000000 0.88811697150053 15.999 > 13 53 O 0.88849474649263 0.12500000000000 0.13811697150053 15.999 > 14 54 O 0.88849474649263 0.62500000000000 0.13811697150053 15.999 > 14 55 O 0.88849474649263 0.12500000000000 0.63811697150053 15.999 > 14 56 O 0.88849474649263 0.62500000000000 0.63811697150053 15.999 > 14 57 O 0.38849474649263 0.12500000000000 0.11188302849947 15.999 > 15 58 O 0.38849474649263 0.62500000000000 0.11188302849947 15.999 > 15 59 O 0.38849474649263 0.12500000000000 0.61188302849947 15.999 > 15 60 O 0.38849474649263 0.62500000000000 0.61188302849947 15.999 > 15 61 O 0.11150525350737 0.37500000000000 0.36188302849947 15.999 > 16 62 O 0.11150525350737 0.87500000000000 0.36188302849947 15.999 > 16 63 O 0.11150525350737 0.37500000000000 0.86188302849947 15.999 > 16 64 O 0.11150525350737 0.87500000000000 0.86188302849947 15.999 > 16 *65 Na 0.00000000000000 0.00000000000000 0.25000000000000 22.990 > 17 66 Na 0.00000000000000 0.50000000000000 0.25000000000000 22.990 > 17 67 Na 0.00000000000000 0.00000000000000 0.75000000000000 22.990 > 17 68 Na 0.00000000000000 0.50000000000000 0.75000000000000 22.990 > 17 69 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 18 70 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 18 71 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 > 18 72 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 > 18 73 Na 0.00000000000000 0.25000000000000 0.25000000000000 22.990 > 19 74 Na 0.00000000000000 0.75000000000000 0.25000000000000 22.990 > 19 75 Na 0.00000000000000 0.25000000000000 0.75000000000000 22.990 > 19 76 Na 0.00000000000000 0.75000000000000 0.75000000000000 22.990 > 19 77 Na 0.50000000000000 0.25000000000000 0.00000000000000 22.990 > 20 78 Na 0.50000000000000 0.75000000000000 0.00000000000000 22.990 > 20 79 Na 0.50000000000000 0.25000000000000 0.50000000000000 22.990 > 20 80 Na 0.50000000000000 0.75000000000000 0.50000000000000 22.990 > 20 *81 Ge 0.09787147787733 0.37500000000000 0.02604050170164 72.640 > 21 82 Ge 0.09787147787733 0.87500000000000 0.02604050170164 72.640 > 21 83 Ge 0.09787147787733 0.37500000000000 0.52604050170164 72.640 > 21 84 Ge 0.09787147787733 0.87500000000000 0.52604050170164 72.640 > 21 85 Ge 0.40212852212266 0.12500000000000 0.27604050170164 72.640 > 22 86 Ge 0.40212852212266 0.62500000000000 0.27604050170164 72.640 > 22 87 Ge 0.40212852212266 0.12500000000000 0.77604050170164 72.640 > 22 88 Ge 0.40212852212266 0.62500000000000 0.77604050170164 72.640 > 22 89 Ge 0.90212852212267 0.12500000000000 0.47395949829836 72.640 > 23 90 Ge 0.90212852212267 0.62500000000000 0.47395949829836 72.640 > 23 91 Ge 0.90212852212267 0.12500000000000 0.97395949829836 72.640 > 23 92 Ge 0.90212852212267 0.62500000000000 0.97395949829836 72.640 > 23 93 Ge 0.59787147787733 0.37500000000000 0.22395949829836 72.640 > 24 94 Ge 0.59787147787733 0.87500000000000 0.22395949829836 72.640 > 24 95 Ge 0.59787147787733 0.37500000000000 0.72395949829836 72.640 > 24 96 Ge 0.59787147787733 0.87500000000000 0.72395949829836 72.640 > 24 *97 Ho 0.77716404248522 0.37500000000000 0.00349895689402 164.930 > 25 98 Ho 0.77716404248522 0.87500000000000 0.00349895689402 164.930 > 25 99 Ho 0.77716404248522 0.37500000000000 0.50349895689402 164.930 > 25 100 Ho 0.77716404248522 0.87500000000000 0.50349895689402 164.930 > 25 101 Ho 0.72283595751478 0.12500000000000 0.25349895689402 164.930 > 26 102 Ho 0.72283595751478 0.62500000000000 0.25349895689402 164.930 > 26 103 Ho 0.72283595751478 0.12500000000000 0.75349895689402 164.930 > 26 104 Ho 0.72283595751478 0.62500000000000 0.75349895689402 164.930 > 26 105 Ho 0.22283595751478 0.12500000000000 0.49650104310598 164.930 > 27 106 Ho 0.22283595751478 0.62500000000000 0.49650104310598 164.930 > 27 107 Ho 0.22283595751478 0.12500000000000 0.99650104310598 164.930 > 27 108 Ho 0.22283595751478 0.62500000000000 0.99650104310598 164.930 > 27 109 Ho 0.27716404248522 0.37500000000000 0.24650104310598 164.930 > 28 110 Ho 0.27716404248522 0.87500000000000 0.24650104310598 164.930 > 28 111 Ho 0.27716404248522 0.37500000000000 0.74650104310598 164.930 > 28 112 Ho 0.27716404248522 0.87500000000000 0.74650104310598 164.930 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4040559 0.0000000 0.0000000 0.0000000 3.2768219 0.0000000 0.0000000 0.0000000 3.2229620 -------------------------- Born effective charges -------------------------- 1 O -3.1381791 0.0000000 -0.0727213 0.0000000 -1.3815191 0.0000000 -0.1498844 0.0000000 -1.3580268 2 O -3.1381791 0.0000000 0.0727213 0.0000000 -1.3815191 0.0000000 0.1498844 0.0000000 -1.3580268 3 O -3.1381791 0.0000000 -0.0727213 0.0000000 -1.3815191 0.0000000 -0.1498844 0.0000000 -1.3580268 4 O -3.1381791 0.0000000 0.0727213 0.0000000 -1.3815191 0.0000000 0.1498844 0.0000000 -1.3580268 5 O -1.6762373 -0.2645748 -0.3265384 -0.3346615 -2.5864423 0.3976586 -0.4003589 0.3203583 -1.8462482 6 O -1.6762373 -0.2645748 0.3265384 -0.3346615 -2.5864423 -0.3976586 0.4003589 -0.3203583 -1.8462482 7 O -1.6762373 0.2645748 -0.3265384 0.3346615 -2.5864423 -0.3976586 -0.4003589 -0.3203583 -1.8462482 8 O -1.6762373 0.2645748 0.3265384 0.3346615 -2.5864423 0.3976586 0.4003589 0.3203583 -1.8462482 9 O -1.6762373 -0.2645748 -0.3265384 -0.3346615 -2.5864423 0.3976586 -0.4003589 0.3203583 -1.8462482 10 O -1.6762373 -0.2645748 0.3265384 -0.3346615 -2.5864423 -0.3976586 0.4003589 -0.3203583 -1.8462482 11 O -1.6762373 0.2645748 -0.3265384 0.3346615 -2.5864423 -0.3976586 -0.4003589 -0.3203583 -1.8462482 12 O -1.6762373 0.2645748 0.3265384 0.3346615 -2.5864423 0.3976586 0.4003589 0.3203583 -1.8462482 13 O -1.8947707 0.0000000 -0.5432419 0.0000000 -1.3179839 0.0000000 -0.6222520 0.0000000 -2.4238851 14 O -1.8947707 0.0000000 0.5432419 0.0000000 -1.3179839 0.0000000 0.6222520 0.0000000 -2.4238851 15 O -1.8947707 0.0000000 -0.5432419 0.0000000 -1.3179839 0.0000000 -0.6222520 0.0000000 -2.4238851 16 O -1.8947707 0.0000000 0.5432419 0.0000000 -1.3179839 0.0000000 0.6222520 0.0000000 -2.4238851 17 Na 1.0460210 -0.1581733 -0.0008146 -0.1055471 0.9806990 0.0649866 0.0123697 0.0305910 1.1971798 18 Na 1.0460210 -0.1581733 0.0008146 -0.1055471 0.9806990 -0.0649866 -0.0123697 -0.0305910 1.1971798 19 Na 1.0460210 0.1581733 -0.0008146 0.1055471 0.9806990 -0.0649866 0.0123697 -0.0305910 1.1971798 20 Na 1.0460210 0.1581733 0.0008146 0.1055471 0.9806990 0.0649866 -0.0123697 0.0305910 1.1971798 21 Ge 3.3001377 0.0000000 -0.1785224 0.0000000 2.9520577 0.0000000 0.1374627 0.0000000 2.9471665 22 Ge 3.3001377 0.0000000 0.1785224 0.0000000 2.9520577 0.0000000 -0.1374627 0.0000000 2.9471665 23 Ge 3.3001377 0.0000000 -0.1785224 0.0000000 2.9520577 0.0000000 0.1374627 0.0000000 2.9471665 24 Ge 3.3001377 0.0000000 0.1785224 0.0000000 2.9520577 0.0000000 -0.1374627 0.0000000 2.9471665 25 Ho 4.0392657 0.0000000 0.1283448 0.0000000 3.9396309 0.0000000 0.1104657 0.0000000 3.3300620 26 Ho 4.0392657 0.0000000 -0.1283448 0.0000000 3.9396309 0.0000000 -0.1104657 0.0000000 3.3300620 27 Ho 4.0392657 0.0000000 0.1283448 0.0000000 3.9396309 0.0000000 0.1104657 0.0000000 3.3300620 28 Ho 4.0392657 0.0000000 -0.1283448 0.0000000 3.9396309 0.0000000 -0.1104657 0.0000000 3.3300620 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1910 Number of blocks in projector: 1910 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: 458 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 264 Use standard eigh solver. Tree of FC basis block matrices: - (1910, 1872), data: False |-- (264, 258), data: True |-- (264, 258), data: True |-- (264, 258), data: True |-- (330, 326), data: True |-- (330, 326), data: True |-- (458, 446), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 3.056 Solver_block: 200 / 480 - Time: 3.077 Solver_block: 300 / 480 - Time: 3.069 Solver_block: 400 / 480 - Time: 3.062 Solver_block: 480 / 480 - Time: 2.483 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.799 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1910 Number of blocks in projector: 1910 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: 458 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 264 Use standard eigh solver. Tree of FC basis block matrices: - (1910, 1872), data: False |-- (264, 258), data: True |-- (264, 258), data: True |-- (264, 258), data: True |-- (330, 326), data: True |-- (330, 326), data: True |-- (458, 446), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) 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 04:25:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:25:54]------------------------- 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 11.367683700000001 0.000000000000000 0.000000000000000 b 0.000000000000000 6.390775010000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.259946520000000 Atomic positions (fractional): 1 O 0.95421248273981 0.75000000000000 0.17197649480077 15.999 2 O 0.54578751726019 0.25000000000000 0.67197649480077 15.999 3 O 0.04578751726019 0.25000000000000 0.82802350519923 15.999 4 O 0.45421248273981 0.75000000000000 0.32802350519923 15.999 5 O 0.82479106769158 0.04084920359574 0.79260826567805 15.999 6 O 0.67520893230842 0.95915079640426 0.29260826567805 15.999 7 O 0.17520893230842 0.54084920359574 0.20739173432195 15.999 8 O 0.32479106769158 0.45915079640426 0.70739173432195 15.999 9 O 0.17520893230842 0.95915079640426 0.20739173432195 15.999 10 O 0.32479106769158 0.04084920359574 0.70739173432195 15.999 11 O 0.82479106769158 0.45915079640426 0.79260826567805 15.999 12 O 0.67520893230842 0.54084920359574 0.29260826567805 15.999 13 O 0.61150525350737 0.75000000000000 0.77623394300106 15.999 14 O 0.88849474649263 0.25000000000000 0.27623394300106 15.999 15 O 0.38849474649263 0.25000000000000 0.22376605699894 15.999 16 O 0.11150525350737 0.75000000000000 0.72376605699894 15.999 17 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 18 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 19 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 20 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 21 Ge 0.09787147787733 0.75000000000000 0.05208100340327 72.640 22 Ge 0.40212852212266 0.25000000000000 0.55208100340327 72.640 23 Ge 0.90212852212267 0.25000000000000 0.94791899659673 72.640 24 Ge 0.59787147787733 0.75000000000000 0.44791899659673 72.640 25 Ho 0.77716404248522 0.75000000000000 0.00699791378803 164.930 26 Ho 0.72283595751478 0.25000000000000 0.50699791378803 164.930 27 Ho 0.22283595751478 0.25000000000000 0.99300208621197 164.930 28 Ho 0.27716404248522 0.75000000000000 0.49300208621197 164.930 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.367683700000001 0.000000000000000 0.000000000000000 b 0.000000000000000 12.781550019999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.519893039999999 Atomic positions (fractional): 1 O 0.95421248273981 0.37500000000000 0.08598824740038 15.999 > 1 2 O 0.95421248273981 0.87500000000000 0.08598824740038 15.999 > 1 3 O 0.95421248273981 0.37500000000000 0.58598824740038 15.999 > 1 4 O 0.95421248273981 0.87500000000000 0.58598824740038 15.999 > 1 5 O 0.54578751726019 0.12500000000000 0.33598824740038 15.999 > 5 6 O 0.54578751726019 0.62500000000000 0.33598824740038 15.999 > 5 7 O 0.54578751726019 0.12500000000000 0.83598824740038 15.999 > 5 8 O 0.54578751726019 0.62500000000000 0.83598824740038 15.999 > 5 9 O 0.04578751726019 0.12500000000000 0.41401175259962 15.999 > 9 10 O 0.04578751726019 0.62500000000000 0.41401175259962 15.999 > 9 11 O 0.04578751726019 0.12500000000000 0.91401175259962 15.999 > 9 12 O 0.04578751726019 0.62500000000000 0.91401175259962 15.999 > 9 13 O 0.45421248273981 0.37500000000000 0.16401175259962 15.999 > 13 14 O 0.45421248273981 0.87500000000000 0.16401175259962 15.999 > 13 15 O 0.45421248273981 0.37500000000000 0.66401175259962 15.999 > 13 16 O 0.45421248273981 0.87500000000000 0.66401175259962 15.999 > 13 17 O 0.82479106769158 0.02042460179787 0.39630413283903 15.999 > 17 18 O 0.82479106769158 0.52042460179787 0.39630413283903 15.999 > 17 19 O 0.82479106769158 0.02042460179787 0.89630413283903 15.999 > 17 20 O 0.82479106769158 0.52042460179787 0.89630413283903 15.999 > 17 21 O 0.67520893230842 0.47957539820213 0.14630413283903 15.999 > 21 22 O 0.67520893230842 0.97957539820213 0.14630413283903 15.999 > 21 23 O 0.67520893230842 0.47957539820213 0.64630413283903 15.999 > 21 24 O 0.67520893230842 0.97957539820213 0.64630413283903 15.999 > 21 25 O 0.17520893230842 0.27042460179787 0.10369586716097 15.999 > 25 26 O 0.17520893230842 0.77042460179787 0.10369586716097 15.999 > 25 27 O 0.17520893230842 0.27042460179787 0.60369586716097 15.999 > 25 28 O 0.17520893230842 0.77042460179787 0.60369586716097 15.999 > 25 29 O 0.32479106769158 0.22957539820213 0.35369586716097 15.999 > 29 30 O 0.32479106769158 0.72957539820213 0.35369586716097 15.999 > 29 31 O 0.32479106769158 0.22957539820213 0.85369586716097 15.999 > 29 32 O 0.32479106769158 0.72957539820213 0.85369586716097 15.999 > 29 33 O 0.17520893230842 0.47957539820213 0.10369586716097 15.999 > 33 34 O 0.17520893230842 0.97957539820213 0.10369586716097 15.999 > 33 35 O 0.17520893230842 0.47957539820213 0.60369586716097 15.999 > 33 36 O 0.17520893230842 0.97957539820213 0.60369586716097 15.999 > 33 37 O 0.32479106769158 0.02042460179787 0.35369586716097 15.999 > 37 38 O 0.32479106769158 0.52042460179787 0.35369586716097 15.999 > 37 39 O 0.32479106769158 0.02042460179787 0.85369586716097 15.999 > 37 40 O 0.32479106769158 0.52042460179787 0.85369586716097 15.999 > 37 41 O 0.82479106769158 0.22957539820213 0.39630413283903 15.999 > 41 42 O 0.82479106769158 0.72957539820213 0.39630413283903 15.999 > 41 43 O 0.82479106769158 0.22957539820213 0.89630413283903 15.999 > 41 44 O 0.82479106769158 0.72957539820213 0.89630413283903 15.999 > 41 45 O 0.67520893230842 0.27042460179787 0.14630413283903 15.999 > 45 46 O 0.67520893230842 0.77042460179787 0.14630413283903 15.999 > 45 47 O 0.67520893230842 0.27042460179787 0.64630413283903 15.999 > 45 48 O 0.67520893230842 0.77042460179787 0.64630413283903 15.999 > 45 49 O 0.61150525350737 0.37500000000000 0.38811697150053 15.999 > 49 50 O 0.61150525350737 0.87500000000000 0.38811697150053 15.999 > 49 51 O 0.61150525350737 0.37500000000000 0.88811697150053 15.999 > 49 52 O 0.61150525350737 0.87500000000000 0.88811697150053 15.999 > 49 53 O 0.88849474649263 0.12500000000000 0.13811697150053 15.999 > 53 54 O 0.88849474649263 0.62500000000000 0.13811697150053 15.999 > 53 55 O 0.88849474649263 0.12500000000000 0.63811697150053 15.999 > 53 56 O 0.88849474649263 0.62500000000000 0.63811697150053 15.999 > 53 57 O 0.38849474649263 0.12500000000000 0.11188302849947 15.999 > 57 58 O 0.38849474649263 0.62500000000000 0.11188302849947 15.999 > 57 59 O 0.38849474649263 0.12500000000000 0.61188302849947 15.999 > 57 60 O 0.38849474649263 0.62500000000000 0.61188302849947 15.999 > 57 61 O 0.11150525350737 0.37500000000000 0.36188302849947 15.999 > 61 62 O 0.11150525350737 0.87500000000000 0.36188302849947 15.999 > 61 63 O 0.11150525350737 0.37500000000000 0.86188302849947 15.999 > 61 64 O 0.11150525350737 0.87500000000000 0.86188302849947 15.999 > 61 65 Na 0.00000000000000 0.00000000000000 0.25000000000000 22.990 > 65 66 Na 0.00000000000000 0.50000000000000 0.25000000000000 22.990 > 65 67 Na 0.00000000000000 0.00000000000000 0.75000000000000 22.990 > 65 68 Na 0.00000000000000 0.50000000000000 0.75000000000000 22.990 > 65 69 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 69 70 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 69 71 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 > 69 72 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 > 69 73 Na 0.00000000000000 0.25000000000000 0.25000000000000 22.990 > 73 74 Na 0.00000000000000 0.75000000000000 0.25000000000000 22.990 > 73 75 Na 0.00000000000000 0.25000000000000 0.75000000000000 22.990 > 73 76 Na 0.00000000000000 0.75000000000000 0.75000000000000 22.990 > 73 77 Na 0.50000000000000 0.25000000000000 0.00000000000000 22.990 > 77 78 Na 0.50000000000000 0.75000000000000 0.00000000000000 22.990 > 77 79 Na 0.50000000000000 0.25000000000000 0.50000000000000 22.990 > 77 80 Na 0.50000000000000 0.75000000000000 0.50000000000000 22.990 > 77 81 Ge 0.09787147787733 0.37500000000000 0.02604050170164 72.640 > 81 82 Ge 0.09787147787733 0.87500000000000 0.02604050170164 72.640 > 81 83 Ge 0.09787147787733 0.37500000000000 0.52604050170164 72.640 > 81 84 Ge 0.09787147787733 0.87500000000000 0.52604050170164 72.640 > 81 85 Ge 0.40212852212266 0.12500000000000 0.27604050170164 72.640 > 85 86 Ge 0.40212852212266 0.62500000000000 0.27604050170164 72.640 > 85 87 Ge 0.40212852212266 0.12500000000000 0.77604050170164 72.640 > 85 88 Ge 0.40212852212266 0.62500000000000 0.77604050170164 72.640 > 85 89 Ge 0.90212852212267 0.12500000000000 0.47395949829836 72.640 > 89 90 Ge 0.90212852212267 0.62500000000000 0.47395949829836 72.640 > 89 91 Ge 0.90212852212267 0.12500000000000 0.97395949829836 72.640 > 89 92 Ge 0.90212852212267 0.62500000000000 0.97395949829836 72.640 > 89 93 Ge 0.59787147787733 0.37500000000000 0.22395949829836 72.640 > 93 94 Ge 0.59787147787733 0.87500000000000 0.22395949829836 72.640 > 93 95 Ge 0.59787147787733 0.37500000000000 0.72395949829836 72.640 > 93 96 Ge 0.59787147787733 0.87500000000000 0.72395949829836 72.640 > 93 97 Ho 0.77716404248522 0.37500000000000 0.00349895689402 164.930 > 97 98 Ho 0.77716404248522 0.87500000000000 0.00349895689402 164.930 > 97 99 Ho 0.77716404248522 0.37500000000000 0.50349895689402 164.930 > 97 100 Ho 0.77716404248522 0.87500000000000 0.50349895689402 164.930 > 97 101 Ho 0.72283595751478 0.12500000000000 0.25349895689402 164.930 > 101 102 Ho 0.72283595751478 0.62500000000000 0.25349895689402 164.930 > 101 103 Ho 0.72283595751478 0.12500000000000 0.75349895689402 164.930 > 101 104 Ho 0.72283595751478 0.62500000000000 0.75349895689402 164.930 > 101 105 Ho 0.22283595751478 0.12500000000000 0.49650104310598 164.930 > 105 106 Ho 0.22283595751478 0.62500000000000 0.49650104310598 164.930 > 105 107 Ho 0.22283595751478 0.12500000000000 0.99650104310598 164.930 > 105 108 Ho 0.22283595751478 0.62500000000000 0.99650104310598 164.930 > 105 109 Ho 0.27716404248522 0.37500000000000 0.24650104310598 164.930 > 109 110 Ho 0.27716404248522 0.87500000000000 0.24650104310598 164.930 > 109 111 Ho 0.27716404248522 0.37500000000000 0.74650104310598 164.930 > 109 112 Ho 0.27716404248522 0.87500000000000 0.74650104310598 164.930 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4040559 0.0000000 0.0000000 0.0000000 3.2768219 0.0000000 0.0000000 0.0000000 3.2229620 -------------------------- Born effective charges -------------------------- 1 O -3.1381791 0.0000000 -0.0727213 0.0000000 -1.3815191 0.0000000 -0.1498844 0.0000000 -1.3580268 2 O -3.1381791 0.0000000 0.0727213 0.0000000 -1.3815191 0.0000000 0.1498844 0.0000000 -1.3580268 3 O -3.1381791 0.0000000 -0.0727213 0.0000000 -1.3815191 0.0000000 -0.1498844 0.0000000 -1.3580268 4 O -3.1381791 0.0000000 0.0727213 0.0000000 -1.3815191 0.0000000 0.1498844 0.0000000 -1.3580268 5 O -1.6762373 -0.2645748 -0.3265384 -0.3346615 -2.5864423 0.3976586 -0.4003589 0.3203583 -1.8462482 6 O -1.6762373 -0.2645748 0.3265384 -0.3346615 -2.5864423 -0.3976586 0.4003589 -0.3203583 -1.8462482 7 O -1.6762373 0.2645748 -0.3265384 0.3346615 -2.5864423 -0.3976586 -0.4003589 -0.3203583 -1.8462482 8 O -1.6762373 0.2645748 0.3265384 0.3346615 -2.5864423 0.3976586 0.4003589 0.3203583 -1.8462482 9 O -1.6762373 -0.2645748 -0.3265384 -0.3346615 -2.5864423 0.3976586 -0.4003589 0.3203583 -1.8462482 10 O -1.6762373 -0.2645748 0.3265384 -0.3346615 -2.5864423 -0.3976586 0.4003589 -0.3203583 -1.8462482 11 O -1.6762373 0.2645748 -0.3265384 0.3346615 -2.5864423 -0.3976586 -0.4003589 -0.3203583 -1.8462482 12 O -1.6762373 0.2645748 0.3265384 0.3346615 -2.5864423 0.3976586 0.4003589 0.3203583 -1.8462482 13 O -1.8947707 0.0000000 -0.5432419 0.0000000 -1.3179839 0.0000000 -0.6222520 0.0000000 -2.4238851 14 O -1.8947707 0.0000000 0.5432419 0.0000000 -1.3179839 0.0000000 0.6222520 0.0000000 -2.4238851 15 O -1.8947707 0.0000000 -0.5432419 0.0000000 -1.3179839 0.0000000 -0.6222520 0.0000000 -2.4238851 16 O -1.8947707 0.0000000 0.5432419 0.0000000 -1.3179839 0.0000000 0.6222520 0.0000000 -2.4238851 17 Na 1.0460210 -0.1581733 -0.0008146 -0.1055471 0.9806990 0.0649866 0.0123697 0.0305910 1.1971798 18 Na 1.0460210 -0.1581733 0.0008146 -0.1055471 0.9806990 -0.0649866 -0.0123697 -0.0305910 1.1971798 19 Na 1.0460210 0.1581733 -0.0008146 0.1055471 0.9806990 -0.0649866 0.0123697 -0.0305910 1.1971798 20 Na 1.0460210 0.1581733 0.0008146 0.1055471 0.9806990 0.0649866 -0.0123697 0.0305910 1.1971798 21 Ge 3.3001377 0.0000000 -0.1785224 0.0000000 2.9520577 0.0000000 0.1374627 0.0000000 2.9471665 22 Ge 3.3001377 0.0000000 0.1785224 0.0000000 2.9520577 0.0000000 -0.1374627 0.0000000 2.9471665 23 Ge 3.3001377 0.0000000 -0.1785224 0.0000000 2.9520577 0.0000000 0.1374627 0.0000000 2.9471665 24 Ge 3.3001377 0.0000000 0.1785224 0.0000000 2.9520577 0.0000000 -0.1374627 0.0000000 2.9471665 25 Ho 4.0392657 0.0000000 0.1283448 0.0000000 3.9396309 0.0000000 0.1104657 0.0000000 3.3300620 26 Ho 4.0392657 0.0000000 -0.1283448 0.0000000 3.9396309 0.0000000 -0.1104657 0.0000000 3.3300620 27 Ho 4.0392657 0.0000000 0.1283448 0.0000000 3.9396309 0.0000000 0.1104657 0.0000000 3.3300620 28 Ho 4.0392657 0.0000000 -0.1283448 0.0000000 3.9396309 0.0000000 -0.1104657 0.0000000 3.3300620 ---------------------------------------------------------------------------- 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[ 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[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (xzx) 0.00000002 (xzx) 0.00000002 (xxz) 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 04:26:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:26:19]------------------------- 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 11.367683700000001 0.000000000000000 0.000000000000000 b 0.000000000000000 6.390775010000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.259946520000000 Atomic positions (fractional): 1 O 0.95421248273981 0.75000000000000 0.17197649480077 15.999 2 O 0.54578751726019 0.25000000000000 0.67197649480077 15.999 3 O 0.04578751726019 0.25000000000000 0.82802350519923 15.999 4 O 0.45421248273981 0.75000000000000 0.32802350519923 15.999 5 O 0.82479106769158 0.04084920359574 0.79260826567805 15.999 6 O 0.67520893230842 0.95915079640426 0.29260826567805 15.999 7 O 0.17520893230842 0.54084920359574 0.20739173432195 15.999 8 O 0.32479106769158 0.45915079640426 0.70739173432195 15.999 9 O 0.17520893230842 0.95915079640426 0.20739173432195 15.999 10 O 0.32479106769158 0.04084920359574 0.70739173432195 15.999 11 O 0.82479106769158 0.45915079640426 0.79260826567805 15.999 12 O 0.67520893230842 0.54084920359574 0.29260826567805 15.999 13 O 0.61150525350737 0.75000000000000 0.77623394300106 15.999 14 O 0.88849474649263 0.25000000000000 0.27623394300106 15.999 15 O 0.38849474649263 0.25000000000000 0.22376605699894 15.999 16 O 0.11150525350737 0.75000000000000 0.72376605699894 15.999 17 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 18 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 19 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 20 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 21 Ge 0.09787147787733 0.75000000000000 0.05208100340327 72.640 22 Ge 0.40212852212266 0.25000000000000 0.55208100340327 72.640 23 Ge 0.90212852212267 0.25000000000000 0.94791899659673 72.640 24 Ge 0.59787147787733 0.75000000000000 0.44791899659673 72.640 25 Ho 0.77716404248522 0.75000000000000 0.00699791378803 164.930 26 Ho 0.72283595751478 0.25000000000000 0.50699791378803 164.930 27 Ho 0.22283595751478 0.25000000000000 0.99300208621197 164.930 28 Ho 0.27716404248522 0.75000000000000 0.49300208621197 164.930 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.367683700000001 0.000000000000000 0.000000000000000 b 0.000000000000000 12.781550019999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.519893039999999 Atomic positions (fractional): 1 O 0.95421248273981 0.37500000000000 0.08598824740038 15.999 > 1 2 O 0.95421248273981 0.87500000000000 0.08598824740038 15.999 > 1 3 O 0.95421248273981 0.37500000000000 0.58598824740038 15.999 > 1 4 O 0.95421248273981 0.87500000000000 0.58598824740038 15.999 > 1 5 O 0.54578751726019 0.12500000000000 0.33598824740038 15.999 > 5 6 O 0.54578751726019 0.62500000000000 0.33598824740038 15.999 > 5 7 O 0.54578751726019 0.12500000000000 0.83598824740038 15.999 > 5 8 O 0.54578751726019 0.62500000000000 0.83598824740038 15.999 > 5 9 O 0.04578751726019 0.12500000000000 0.41401175259962 15.999 > 9 10 O 0.04578751726019 0.62500000000000 0.41401175259962 15.999 > 9 11 O 0.04578751726019 0.12500000000000 0.91401175259962 15.999 > 9 12 O 0.04578751726019 0.62500000000000 0.91401175259962 15.999 > 9 13 O 0.45421248273981 0.37500000000000 0.16401175259962 15.999 > 13 14 O 0.45421248273981 0.87500000000000 0.16401175259962 15.999 > 13 15 O 0.45421248273981 0.37500000000000 0.66401175259962 15.999 > 13 16 O 0.45421248273981 0.87500000000000 0.66401175259962 15.999 > 13 17 O 0.82479106769158 0.02042460179787 0.39630413283903 15.999 > 17 18 O 0.82479106769158 0.52042460179787 0.39630413283903 15.999 > 17 19 O 0.82479106769158 0.02042460179787 0.89630413283903 15.999 > 17 20 O 0.82479106769158 0.52042460179787 0.89630413283903 15.999 > 17 21 O 0.67520893230842 0.47957539820213 0.14630413283903 15.999 > 21 22 O 0.67520893230842 0.97957539820213 0.14630413283903 15.999 > 21 23 O 0.67520893230842 0.47957539820213 0.64630413283903 15.999 > 21 24 O 0.67520893230842 0.97957539820213 0.64630413283903 15.999 > 21 25 O 0.17520893230842 0.27042460179787 0.10369586716097 15.999 > 25 26 O 0.17520893230842 0.77042460179787 0.10369586716097 15.999 > 25 27 O 0.17520893230842 0.27042460179787 0.60369586716097 15.999 > 25 28 O 0.17520893230842 0.77042460179787 0.60369586716097 15.999 > 25 29 O 0.32479106769158 0.22957539820213 0.35369586716097 15.999 > 29 30 O 0.32479106769158 0.72957539820213 0.35369586716097 15.999 > 29 31 O 0.32479106769158 0.22957539820213 0.85369586716097 15.999 > 29 32 O 0.32479106769158 0.72957539820213 0.85369586716097 15.999 > 29 33 O 0.17520893230842 0.47957539820213 0.10369586716097 15.999 > 33 34 O 0.17520893230842 0.97957539820213 0.10369586716097 15.999 > 33 35 O 0.17520893230842 0.47957539820213 0.60369586716097 15.999 > 33 36 O 0.17520893230842 0.97957539820213 0.60369586716097 15.999 > 33 37 O 0.32479106769158 0.02042460179787 0.35369586716097 15.999 > 37 38 O 0.32479106769158 0.52042460179787 0.35369586716097 15.999 > 37 39 O 0.32479106769158 0.02042460179787 0.85369586716097 15.999 > 37 40 O 0.32479106769158 0.52042460179787 0.85369586716097 15.999 > 37 41 O 0.82479106769158 0.22957539820213 0.39630413283903 15.999 > 41 42 O 0.82479106769158 0.72957539820213 0.39630413283903 15.999 > 41 43 O 0.82479106769158 0.22957539820213 0.89630413283903 15.999 > 41 44 O 0.82479106769158 0.72957539820213 0.89630413283903 15.999 > 41 45 O 0.67520893230842 0.27042460179787 0.14630413283903 15.999 > 45 46 O 0.67520893230842 0.77042460179787 0.14630413283903 15.999 > 45 47 O 0.67520893230842 0.27042460179787 0.64630413283903 15.999 > 45 48 O 0.67520893230842 0.77042460179787 0.64630413283903 15.999 > 45 49 O 0.61150525350737 0.37500000000000 0.38811697150053 15.999 > 49 50 O 0.61150525350737 0.87500000000000 0.38811697150053 15.999 > 49 51 O 0.61150525350737 0.37500000000000 0.88811697150053 15.999 > 49 52 O 0.61150525350737 0.87500000000000 0.88811697150053 15.999 > 49 53 O 0.88849474649263 0.12500000000000 0.13811697150053 15.999 > 53 54 O 0.88849474649263 0.62500000000000 0.13811697150053 15.999 > 53 55 O 0.88849474649263 0.12500000000000 0.63811697150053 15.999 > 53 56 O 0.88849474649263 0.62500000000000 0.63811697150053 15.999 > 53 57 O 0.38849474649263 0.12500000000000 0.11188302849947 15.999 > 57 58 O 0.38849474649263 0.62500000000000 0.11188302849947 15.999 > 57 59 O 0.38849474649263 0.12500000000000 0.61188302849947 15.999 > 57 60 O 0.38849474649263 0.62500000000000 0.61188302849947 15.999 > 57 61 O 0.11150525350737 0.37500000000000 0.36188302849947 15.999 > 61 62 O 0.11150525350737 0.87500000000000 0.36188302849947 15.999 > 61 63 O 0.11150525350737 0.37500000000000 0.86188302849947 15.999 > 61 64 O 0.11150525350737 0.87500000000000 0.86188302849947 15.999 > 61 65 Na 0.00000000000000 0.00000000000000 0.25000000000000 22.990 > 65 66 Na 0.00000000000000 0.50000000000000 0.25000000000000 22.990 > 65 67 Na 0.00000000000000 0.00000000000000 0.75000000000000 22.990 > 65 68 Na 0.00000000000000 0.50000000000000 0.75000000000000 22.990 > 65 69 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 69 70 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 69 71 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 > 69 72 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 > 69 73 Na 0.00000000000000 0.25000000000000 0.25000000000000 22.990 > 73 74 Na 0.00000000000000 0.75000000000000 0.25000000000000 22.990 > 73 75 Na 0.00000000000000 0.25000000000000 0.75000000000000 22.990 > 73 76 Na 0.00000000000000 0.75000000000000 0.75000000000000 22.990 > 73 77 Na 0.50000000000000 0.25000000000000 0.00000000000000 22.990 > 77 78 Na 0.50000000000000 0.75000000000000 0.00000000000000 22.990 > 77 79 Na 0.50000000000000 0.25000000000000 0.50000000000000 22.990 > 77 80 Na 0.50000000000000 0.75000000000000 0.50000000000000 22.990 > 77 81 Ge 0.09787147787733 0.37500000000000 0.02604050170164 72.640 > 81 82 Ge 0.09787147787733 0.87500000000000 0.02604050170164 72.640 > 81 83 Ge 0.09787147787733 0.37500000000000 0.52604050170164 72.640 > 81 84 Ge 0.09787147787733 0.87500000000000 0.52604050170164 72.640 > 81 85 Ge 0.40212852212266 0.12500000000000 0.27604050170164 72.640 > 85 86 Ge 0.40212852212266 0.62500000000000 0.27604050170164 72.640 > 85 87 Ge 0.40212852212266 0.12500000000000 0.77604050170164 72.640 > 85 88 Ge 0.40212852212266 0.62500000000000 0.77604050170164 72.640 > 85 89 Ge 0.90212852212267 0.12500000000000 0.47395949829836 72.640 > 89 90 Ge 0.90212852212267 0.62500000000000 0.47395949829836 72.640 > 89 91 Ge 0.90212852212267 0.12500000000000 0.97395949829836 72.640 > 89 92 Ge 0.90212852212267 0.62500000000000 0.97395949829836 72.640 > 89 93 Ge 0.59787147787733 0.37500000000000 0.22395949829836 72.640 > 93 94 Ge 0.59787147787733 0.87500000000000 0.22395949829836 72.640 > 93 95 Ge 0.59787147787733 0.37500000000000 0.72395949829836 72.640 > 93 96 Ge 0.59787147787733 0.87500000000000 0.72395949829836 72.640 > 93 97 Ho 0.77716404248522 0.37500000000000 0.00349895689402 164.930 > 97 98 Ho 0.77716404248522 0.87500000000000 0.00349895689402 164.930 > 97 99 Ho 0.77716404248522 0.37500000000000 0.50349895689402 164.930 > 97 100 Ho 0.77716404248522 0.87500000000000 0.50349895689402 164.930 > 97 101 Ho 0.72283595751478 0.12500000000000 0.25349895689402 164.930 > 101 102 Ho 0.72283595751478 0.62500000000000 0.25349895689402 164.930 > 101 103 Ho 0.72283595751478 0.12500000000000 0.75349895689402 164.930 > 101 104 Ho 0.72283595751478 0.62500000000000 0.75349895689402 164.930 > 101 105 Ho 0.22283595751478 0.12500000000000 0.49650104310598 164.930 > 105 106 Ho 0.22283595751478 0.62500000000000 0.49650104310598 164.930 > 105 107 Ho 0.22283595751478 0.12500000000000 0.99650104310598 164.930 > 105 108 Ho 0.22283595751478 0.62500000000000 0.99650104310598 164.930 > 105 109 Ho 0.27716404248522 0.37500000000000 0.24650104310598 164.930 > 109 110 Ho 0.27716404248522 0.87500000000000 0.24650104310598 164.930 > 109 111 Ho 0.27716404248522 0.37500000000000 0.74650104310598 164.930 > 109 112 Ho 0.27716404248522 0.87500000000000 0.74650104310598 164.930 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.4040559 0.0000000 0.0000000 0.0000000 3.2768219 0.0000000 0.0000000 0.0000000 3.2229620 -------------------------- Born effective charges -------------------------- 1 O -3.1381791 0.0000000 -0.0727213 0.0000000 -1.3815191 0.0000000 -0.1498844 0.0000000 -1.3580268 2 O -3.1381791 0.0000000 0.0727213 0.0000000 -1.3815191 0.0000000 0.1498844 0.0000000 -1.3580268 3 O -3.1381791 0.0000000 -0.0727213 0.0000000 -1.3815191 0.0000000 -0.1498844 0.0000000 -1.3580268 4 O -3.1381791 0.0000000 0.0727213 0.0000000 -1.3815191 0.0000000 0.1498844 0.0000000 -1.3580268 5 O -1.6762373 -0.2645748 -0.3265384 -0.3346615 -2.5864423 0.3976586 -0.4003589 0.3203583 -1.8462482 6 O -1.6762373 -0.2645748 0.3265384 -0.3346615 -2.5864423 -0.3976586 0.4003589 -0.3203583 -1.8462482 7 O -1.6762373 0.2645748 -0.3265384 0.3346615 -2.5864423 -0.3976586 -0.4003589 -0.3203583 -1.8462482 8 O -1.6762373 0.2645748 0.3265384 0.3346615 -2.5864423 0.3976586 0.4003589 0.3203583 -1.8462482 9 O -1.6762373 -0.2645748 -0.3265384 -0.3346615 -2.5864423 0.3976586 -0.4003589 0.3203583 -1.8462482 10 O -1.6762373 -0.2645748 0.3265384 -0.3346615 -2.5864423 -0.3976586 0.4003589 -0.3203583 -1.8462482 11 O -1.6762373 0.2645748 -0.3265384 0.3346615 -2.5864423 -0.3976586 -0.4003589 -0.3203583 -1.8462482 12 O -1.6762373 0.2645748 0.3265384 0.3346615 -2.5864423 0.3976586 0.4003589 0.3203583 -1.8462482 13 O -1.8947707 0.0000000 -0.5432419 0.0000000 -1.3179839 0.0000000 -0.6222520 0.0000000 -2.4238851 14 O -1.8947707 0.0000000 0.5432419 0.0000000 -1.3179839 0.0000000 0.6222520 0.0000000 -2.4238851 15 O -1.8947707 0.0000000 -0.5432419 0.0000000 -1.3179839 0.0000000 -0.6222520 0.0000000 -2.4238851 16 O -1.8947707 0.0000000 0.5432419 0.0000000 -1.3179839 0.0000000 0.6222520 0.0000000 -2.4238851 17 Na 1.0460210 -0.1581733 -0.0008146 -0.1055471 0.9806990 0.0649866 0.0123697 0.0305910 1.1971798 18 Na 1.0460210 -0.1581733 0.0008146 -0.1055471 0.9806990 -0.0649866 -0.0123697 -0.0305910 1.1971798 19 Na 1.0460210 0.1581733 -0.0008146 0.1055471 0.9806990 -0.0649866 0.0123697 -0.0305910 1.1971798 20 Na 1.0460210 0.1581733 0.0008146 0.1055471 0.9806990 0.0649866 -0.0123697 0.0305910 1.1971798 21 Ge 3.3001377 0.0000000 -0.1785224 0.0000000 2.9520577 0.0000000 0.1374627 0.0000000 2.9471665 22 Ge 3.3001377 0.0000000 0.1785224 0.0000000 2.9520577 0.0000000 -0.1374627 0.0000000 2.9471665 23 Ge 3.3001377 0.0000000 -0.1785224 0.0000000 2.9520577 0.0000000 0.1374627 0.0000000 2.9471665 24 Ge 3.3001377 0.0000000 0.1785224 0.0000000 2.9520577 0.0000000 -0.1374627 0.0000000 2.9471665 25 Ho 4.0392657 0.0000000 0.1283448 0.0000000 3.9396309 0.0000000 0.1104657 0.0000000 3.3300620 26 Ho 4.0392657 0.0000000 -0.1283448 0.0000000 3.9396309 0.0000000 -0.1104657 0.0000000 3.3300620 27 Ho 4.0392657 0.0000000 0.1283448 0.0000000 3.9396309 0.0000000 0.1104657 0.0000000 3.3300620 28 Ho 4.0392657 0.0000000 -0.1283448 0.0000000 3.9396309 0.0000000 -0.1104657 0.0000000 3.3300620 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (xzx) 0.00000002 (xzx) 0.00000002 (xxz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- 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 ... [ 4 8 10 ] 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: 0.57, Number of G-points: 293, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/90) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 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 1.775 ( 0.000 0.000 0.000) 0.000 2.021 ( 0.000 0.000 0.000) 0.000 2.457 ( 0.000 0.000 0.000) 0.000 2.999 ( 0.000 0.000 0.000) 0.000 3.089 ( 0.000 0.000 0.000) 0.000 3.203 ( 0.000 0.000 0.000) 0.000 3.242 ( 0.000 0.000 0.000) 0.000 3.379 ( 0.000 0.000 0.000) 0.000 3.575 ( 0.000 0.000 0.000) 0.000 3.651 ( 0.000 0.000 0.000) 0.000 3.943 ( 0.000 0.000 0.000) 0.000 3.992 ( 0.000 0.000 0.000) 0.000 4.065 ( 0.000 0.000 0.000) 0.000 4.361 ( 0.000 0.000 0.000) 0.000 4.519 ( 0.000 0.000 0.000) 0.000 4.638 ( 0.000 0.000 0.000) 0.000 4.650 ( 0.000 0.000 0.000) 0.000 4.739 ( 0.000 0.000 0.000) 0.000 4.893 ( 0.000 0.000 0.000) 0.000 5.057 ( 0.000 0.000 0.000) 0.000 5.104 ( 0.000 0.000 0.000) 0.000 5.189 ( 0.000 0.000 0.000) 0.000 5.454 ( 0.000 0.000 0.000) 0.000 5.628 ( 0.000 0.000 0.000) 0.000 5.695 ( 0.000 0.000 0.000) 0.000 5.820 ( 0.000 0.000 0.000) 0.000 5.899 ( 0.000 0.000 0.000) 0.000 6.135 ( 0.000 0.000 0.000) 0.000 6.266 ( 0.000 0.000 0.000) 0.000 6.631 ( 0.000 0.000 0.000) 0.000 6.820 ( 0.000 0.000 0.000) 0.000 6.931 ( 0.000 0.000 0.000) 0.000 7.264 ( 0.000 0.000 0.000) 0.000 7.300 ( 0.000 0.000 0.000) 0.000 7.399 ( 0.000 0.000 0.000) 0.000 7.406 ( 0.000 0.000 0.000) 0.000 7.883 ( 0.000 0.000 0.000) 0.000 8.162 ( 0.000 0.000 0.000) 0.000 8.195 ( 0.000 0.000 0.000) 0.000 8.417 ( 0.000 0.000 0.000) 0.000 8.435 ( 0.000 0.000 0.000) 0.000 8.492 ( 0.000 0.000 0.000) 0.000 8.571 ( 0.000 0.000 0.000) 0.000 8.788 ( 0.000 0.000 0.000) 0.000 9.009 ( 0.000 0.000 0.000) 0.000 9.172 ( 0.000 0.000 0.000) 0.000 9.190 ( 0.000 0.000 0.000) 0.000 10.603 ( 0.000 0.000 0.000) 0.000 10.737 ( 0.000 0.000 0.000) 0.000 10.840 ( 0.000 0.000 0.000) 0.000 10.932 ( 0.000 0.000 0.000) 0.000 11.051 ( 0.000 0.000 0.000) 0.000 11.289 ( 0.000 0.000 0.000) 0.000 11.495 ( 0.000 0.000 0.000) 0.000 11.953 ( 0.000 0.000 0.000) 0.000 11.974 ( 0.000 0.000 0.000) 0.000 12.174 ( 0.000 0.000 0.000) 0.000 12.234 ( 0.000 0.000 0.000) 0.000 12.269 ( 0.000 0.000 0.000) 0.000 12.595 ( 0.000 0.000 0.000) 0.000 12.912 ( 0.000 0.000 0.000) 0.000 13.474 ( 0.000 0.000 0.000) 0.000 13.586 ( 0.000 0.000 0.000) 0.000 15.132 ( 0.000 0.000 0.000) 0.000 15.978 ( 0.000 0.000 0.000) 0.000 18.569 ( 0.000 0.000 0.000) 0.000 18.601 ( 0.000 0.000 0.000) 0.000 18.660 ( 0.000 0.000 0.000) 0.000 18.677 ( 0.000 0.000 0.000) 0.000 20.405 ( 0.000 0.000 0.000) 0.000 20.520 ( 0.000 0.000 0.000) 0.000 21.117 ( 0.000 0.000 0.000) 0.000 21.189 ( 0.000 0.000 0.000) 0.000 21.989 ( 0.000 0.000 0.000) 0.000 22.199 ( 0.000 0.000 0.000) 0.000 22.522 ( 0.000 0.000 0.000) 0.000 22.652 ( 0.000 0.000 0.000) 0.000 22.910 ( 0.000 0.000 0.000) 0.000 22.986 ( 0.000 0.000 0.000) 0.000 23.256 ( 0.000 0.000 0.000) 0.000 24.481 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/90) ======================= q-point: ( 0.25 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.642 ( 27.935 0.000 0.000) 27.935 0.675 ( 29.862 0.000 0.000) 29.862 1.247 ( 53.339 0.000 0.000) 53.339 1.611 ( -13.902 0.000 0.000) 13.902 1.821 ( -15.025 0.000 0.000) 15.025 2.531 ( 5.844 0.000 0.000) 5.844 2.856 ( -8.009 0.000 0.000) 8.009 3.230 ( 7.803 0.000 0.000) 7.803 3.243 ( 2.394 0.000 0.000) 2.394 3.248 ( 0.227 0.000 0.000) 0.227 3.358 ( -29.745 0.000 0.000) 29.745 3.499 ( 9.208 0.000 0.000) 9.208 3.530 ( -4.300 0.000 0.000) 4.300 3.859 ( -5.853 0.000 0.000) 5.853 3.955 ( 2.305 0.000 0.000) 2.305 4.152 ( 6.103 0.000 0.000) 6.103 4.242 ( -8.217 0.000 0.000) 8.217 4.554 ( -7.672 0.000 0.000) 7.672 4.624 ( 8.226 0.000 0.000) 8.226 4.755 ( 7.144 0.000 0.000) 7.144 4.922 ( 1.794 0.000 0.000) 1.794 4.964 ( -0.505 0.000 0.000) 0.505 4.997 ( -5.150 0.000 0.000) 5.150 5.106 ( -6.512 0.000 0.000) 6.512 5.124 ( 1.656 0.000 0.000) 1.656 5.298 ( -7.976 0.000 0.000) 7.976 5.683 ( 3.994 0.000 0.000) 3.994 5.737 ( 3.227 0.000 0.000) 3.227 5.884 ( -0.909 0.000 0.000) 0.909 6.025 ( 10.666 0.000 0.000) 10.666 6.059 ( -5.953 0.000 0.000) 5.953 6.239 ( -2.173 0.000 0.000) 2.173 6.657 ( 3.697 0.000 0.000) 3.697 6.943 ( -4.674 0.000 0.000) 4.674 7.044 ( 8.635 0.000 0.000) 8.635 7.279 ( 1.268 0.000 0.000) 1.268 7.337 ( 0.251 0.000 0.000) 0.251 7.385 ( -4.590 0.000 0.000) 4.590 7.468 ( 8.429 0.000 0.000) 8.429 8.004 ( -11.606 0.000 0.000) 11.606 8.139 ( 1.603 0.000 0.000) 1.603 8.203 ( 0.255 0.000 0.000) 0.255 8.338 ( -2.317 0.000 0.000) 2.317 8.408 ( -2.305 0.000 0.000) 2.305 8.680 ( 12.404 0.000 0.000) 12.404 8.687 ( 7.901 0.000 0.000) 7.901 8.969 ( -3.606 0.000 0.000) 3.606 9.172 ( 0.087 0.000 0.000) 0.087 9.185 ( -0.370 0.000 0.000) 0.370 9.315 ( -11.710 0.000 0.000) 11.710 10.632 ( 2.658 0.000 0.000) 2.658 10.775 ( 3.290 0.000 0.000) 3.290 10.845 ( -6.026 0.000 0.000) 6.026 10.987 ( -4.884 0.000 0.000) 4.884 11.404 ( 8.469 0.000 0.000) 8.469 11.560 ( 5.136 0.000 0.000) 5.136 11.820 ( -8.966 0.000 0.000) 8.966 11.839 ( -7.170 0.000 0.000) 7.170 12.231 ( 7.157 0.000 0.000) 7.157 12.290 ( 1.622 0.000 0.000) 1.622 12.290 ( 7.418 0.000 0.000) 7.418 12.556 ( -3.536 0.000 0.000) 3.536 12.663 ( 0.785 0.000 0.000) 0.785 12.857 ( -4.719 0.000 0.000) 4.719 13.492 ( 1.510 0.000 0.000) 1.510 13.571 ( -1.349 0.000 0.000) 1.349 15.960 ( 0.244 0.000 0.000) 0.244 15.975 ( -0.279 0.000 0.000) 0.279 18.574 ( 0.400 0.000 0.000) 0.400 18.596 ( -0.407 0.000 0.000) 0.407 18.663 ( 0.220 0.000 0.000) 0.220 18.674 ( -0.203 0.000 0.000) 0.203 20.420 ( 1.354 0.000 0.000) 1.354 20.501 ( -1.570 0.000 0.000) 1.570 21.177 ( 5.340 0.000 0.000) 5.340 21.563 ( -10.300 0.000 0.000) 10.300 22.116 ( 8.038 0.000 0.000) 8.038 22.440 ( -5.958 0.000 0.000) 5.958 22.695 ( 2.644 0.000 0.000) 2.644 22.787 ( -1.739 0.000 0.000) 1.739 22.987 ( 5.559 0.000 0.000) 5.559 23.220 ( -3.258 0.000 0.000) 3.258 24.481 ( 0.075 0.000 0.000) 0.075 24.488 ( -0.173 0.000 0.000) 0.173 ======================= Grid point 2 (3/90) ======================= q-point: (-0.50 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( -22.585 0.000 0.000) 22.585 1.203 ( 22.585 0.000 0.000) 22.585 1.292 ( -25.495 0.000 0.000) 25.495 1.292 ( 25.495 0.000 0.000) 25.495 2.450 ( -48.506 0.000 0.000) 48.506 2.450 ( 48.506 0.000 0.000) 48.506 2.683 ( -7.603 0.000 0.000) 7.603 2.683 ( 7.603 0.000 0.000) 7.603 3.266 ( -0.281 0.000 0.000) 0.281 3.266 ( 0.281 0.000 0.000) 0.281 3.397 ( -7.232 0.000 0.000) 7.232 3.397 ( 7.232 0.000 0.000) 7.232 3.714 ( -8.695 0.000 0.000) 8.695 3.714 ( 8.695 0.000 0.000) 8.695 4.064 ( -7.184 0.000 0.000) 7.184 4.064 ( 7.184 0.000 0.000) 7.184 4.341 ( -10.298 0.000 0.000) 10.298 4.341 ( 10.298 0.000 0.000) 10.298 4.816 ( -7.436 0.000 0.000) 7.436 4.816 ( 7.436 0.000 0.000) 7.436 4.948 ( -6.593 0.000 0.000) 6.593 4.948 ( 6.593 0.000 0.000) 6.593 4.951 ( -0.799 0.000 0.000) 0.799 4.951 ( 0.799 0.000 0.000) 0.799 5.176 ( -3.419 0.000 0.000) 3.419 5.176 ( 3.419 0.000 0.000) 3.419 5.762 ( -2.252 0.000 0.000) 2.252 5.762 ( 2.252 0.000 0.000) 2.252 5.922 ( -5.291 0.000 0.000) 5.291 5.922 ( 5.291 0.000 0.000) 5.291 6.176 ( -3.901 0.000 0.000) 3.901 6.176 ( 3.901 0.000 0.000) 3.901 6.799 ( -7.804 0.000 0.000) 7.804 6.799 ( 7.804 0.000 0.000) 7.804 7.241 ( -8.273 0.000 0.000) 8.273 7.241 ( 8.273 0.000 0.000) 8.273 7.313 ( -1.657 0.000 0.000) 1.657 7.313 ( 1.657 0.000 0.000) 1.657 7.723 ( -13.165 0.000 0.000) 13.165 7.723 ( 13.165 0.000 0.000) 13.165 8.182 ( -1.949 0.000 0.000) 1.949 8.182 ( 1.949 0.000 0.000) 1.949 8.348 ( -2.524 0.000 0.000) 2.524 8.348 ( 2.524 0.000 0.000) 2.524 8.854 ( -6.677 0.000 0.000) 6.677 8.854 ( 6.677 0.000 0.000) 6.677 8.997 ( -15.672 0.000 0.000) 15.672 8.997 ( 15.672 0.000 0.000) 15.672 9.177 ( -0.330 0.000 0.000) 0.330 9.177 ( 0.330 0.000 0.000) 0.330 10.718 ( -5.046 0.000 0.000) 5.046 10.718 ( 5.046 0.000 0.000) 5.046 10.871 ( -5.189 0.000 0.000) 5.189 10.871 ( 5.189 0.000 0.000) 5.189 11.610 ( -9.775 0.000 0.000) 9.775 11.610 ( 9.775 0.000 0.000) 9.775 11.691 ( -6.378 0.000 0.000) 6.378 11.691 ( 6.378 0.000 0.000) 6.378 12.315 ( -0.355 0.000 0.000) 0.355 12.315 ( 0.355 0.000 0.000) 0.355 12.445 ( -6.284 0.000 0.000) 6.284 12.445 ( 6.284 0.000 0.000) 6.284 12.733 ( -5.489 0.000 0.000) 5.489 12.733 ( 5.489 0.000 0.000) 5.489 13.532 ( -1.993 0.000 0.000) 1.993 13.532 ( 1.993 0.000 0.000) 1.993 15.967 ( -0.377 0.000 0.000) 0.377 15.967 ( 0.377 0.000 0.000) 0.377 18.585 ( -0.568 0.000 0.000) 0.568 18.585 ( 0.568 0.000 0.000) 0.568 18.669 ( -0.296 0.000 0.000) 0.296 18.669 ( 0.296 0.000 0.000) 0.296 20.459 ( -2.030 0.000 0.000) 2.030 20.459 ( 2.030 0.000 0.000) 2.030 21.341 ( -9.235 0.000 0.000) 9.235 21.341 ( 9.235 0.000 0.000) 9.235 22.289 ( -7.511 0.000 0.000) 7.511 22.289 ( 7.511 0.000 0.000) 7.511 22.747 ( -2.003 0.000 0.000) 2.003 22.747 ( 2.003 0.000 0.000) 2.003 23.118 ( -5.742 0.000 0.000) 5.742 23.118 ( 5.742 0.000 0.000) 5.742 24.484 ( -0.180 0.000 0.000) 0.180 24.484 ( 0.180 0.000 0.000) 0.180 ======================= Grid point 5 (4/90) ======================= q-point: ( 0.00 0.12 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.507 ( 0.000 26.847 0.000) 26.847 0.576 ( 0.000 29.129 0.000) 29.129 0.995 ( 0.000 49.237 0.000) 49.237 2.010 ( 0.000 21.431 0.000) 21.431 2.066 ( 0.000 4.693 0.000) 4.693 2.490 ( 0.000 3.206 0.000) 3.206 2.931 ( 0.000 -5.740 0.000) 5.740 3.102 ( 0.000 -5.914 0.000) 5.914 3.162 ( 0.000 -7.752 0.000) 7.752 3.275 ( 0.000 9.417 0.000) 9.417 3.476 ( 0.000 8.087 0.000) 8.087 3.568 ( 0.000 -7.819 0.000) 7.819 3.609 ( 0.000 0.705 0.000) 0.705 3.834 ( 0.000 -1.884 0.000) 1.884 4.066 ( 0.000 0.568 0.000) 0.568 4.155 ( 0.000 9.530 0.000) 9.530 4.411 ( 0.000 -3.654 0.000) 3.654 4.692 ( 0.000 -0.495 0.000) 0.495 4.726 ( 0.000 -8.922 0.000) 8.922 4.730 ( 0.000 0.190 0.000) 0.190 4.800 ( 0.000 -1.375 0.000) 1.375 4.867 ( 0.000 6.735 0.000) 6.735 5.046 ( 0.000 -4.191 0.000) 4.191 5.065 ( 0.000 3.953 0.000) 3.953 5.270 ( 0.000 8.080 0.000) 8.080 5.293 ( 0.000 -11.758 0.000) 11.758 5.719 ( 0.000 6.521 0.000) 6.521 5.744 ( 0.000 4.326 0.000) 4.326 5.816 ( 0.000 0.198 0.000) 0.198 6.016 ( 0.000 10.694 0.000) 10.694 6.256 ( 0.000 9.691 0.000) 9.691 6.283 ( 0.000 1.957 0.000) 1.957 6.597 ( 0.000 -2.738 0.000) 2.738 6.810 ( 0.000 -0.809 0.000) 0.809 6.885 ( 0.000 -3.711 0.000) 3.711 7.351 ( 0.000 -5.410 0.000) 5.410 7.399 ( 0.000 -0.190 0.000) 0.190 7.404 ( 0.000 9.363 0.000) 9.363 7.574 ( 0.000 0.803 0.000) 0.803 7.793 ( 0.000 -8.047 0.000) 8.047 8.146 ( 0.000 -5.305 0.000) 5.305 8.217 ( 0.000 4.131 0.000) 4.131 8.348 ( 0.000 -7.973 0.000) 7.973 8.361 ( 0.000 -4.872 0.000) 4.872 8.401 ( 0.000 -7.941 0.000) 7.941 8.739 ( 0.000 1.576 0.000) 1.576 8.759 ( 0.000 -2.752 0.000) 2.752 8.982 ( 0.000 -4.777 0.000) 4.777 9.238 ( 0.000 6.208 0.000) 6.208 9.768 ( 0.000 3.362 0.000) 3.362 10.688 ( 0.000 7.516 0.000) 7.516 10.724 ( 0.000 -8.113 0.000) 8.113 10.780 ( 0.000 4.254 0.000) 4.254 11.023 ( 0.000 5.533 0.000) 5.533 11.076 ( 0.000 2.400 0.000) 2.400 11.359 ( 0.000 -12.704 0.000) 12.704 11.933 ( 0.000 -1.037 0.000) 1.037 11.962 ( 0.000 -1.179 0.000) 1.179 12.172 ( 0.000 -5.415 0.000) 5.415 12.183 ( 0.000 0.960 0.000) 0.960 12.302 ( 0.000 2.265 0.000) 2.265 12.659 ( 0.000 5.633 0.000) 5.633 12.845 ( 0.000 -6.611 0.000) 6.611 13.437 ( 0.000 -6.252 0.000) 6.252 13.602 ( 0.000 12.321 0.000) 12.321 13.725 ( 0.000 8.712 0.000) 8.712 15.072 ( 0.000 -5.974 0.000) 5.974 15.827 ( 0.000 -14.078 0.000) 14.078 18.690 ( 0.000 8.819 0.000) 8.819 18.738 ( 0.000 15.535 0.000) 15.535 18.757 ( 0.000 7.875 0.000) 7.875 20.352 ( 0.000 -5.409 0.000) 5.409 20.500 ( 0.000 -1.923 0.000) 1.923 21.077 ( 0.000 -3.996 0.000) 3.996 21.199 ( 0.000 1.025 0.000) 1.025 21.460 ( 0.000 -1.622 0.000) 1.622 22.002 ( 0.000 1.265 0.000) 1.265 22.192 ( 0.000 -0.646 0.000) 0.646 22.525 ( 0.000 0.349 0.000) 0.349 22.641 ( 0.000 -1.048 0.000) 1.048 22.912 ( 0.000 0.160 0.000) 0.160 22.981 ( 0.000 -0.427 0.000) 0.427 23.277 ( 0.000 2.219 0.000) 2.219 24.392 ( 0.000 -8.688 0.000) 8.688 ======================= Grid point 6 (5/90) ======================= q-point: ( 0.25 0.12 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 23.143 15.211 0.000) 27.694 0.870 ( 22.353 18.766 0.000) 29.186 1.562 ( 34.949 27.289 0.000) 44.341 1.816 ( -15.598 17.827 0.000) 23.687 1.876 ( -10.011 7.634 0.000) 12.590 2.582 ( 6.581 5.465 0.000) 8.554 2.882 ( -4.880 0.646 0.000) 4.923 3.150 ( 3.070 -6.984 0.000) 7.629 3.170 ( 0.737 -7.699 0.000) 7.734 3.320 ( -21.367 -2.531 0.000) 21.517 3.324 ( 5.590 7.221 0.000) 9.132 3.533 ( 4.672 3.821 0.000) 6.035 3.645 ( -5.822 9.100 0.000) 10.803 3.793 ( -0.807 -5.768 0.000) 5.825 3.979 ( -6.824 3.110 0.000) 7.499 4.099 ( 1.341 -1.565 0.000) 2.061 4.393 ( -7.795 7.919 0.000) 11.112 4.450 ( 0.817 -2.525 0.000) 2.654 4.718 ( 1.838 -3.359 0.000) 3.828 4.781 ( -1.484 -1.067 0.000) 1.827 4.873 ( 0.572 4.505 0.000) 4.541 4.907 ( 1.431 -8.280 0.000) 8.402 5.030 ( 0.444 -5.378 0.000) 5.396 5.121 ( 2.071 10.186 0.000) 10.394 5.181 ( -6.497 -9.057 0.000) 11.146 5.229 ( -3.152 9.708 0.000) 10.207 5.753 ( 2.984 6.139 0.000) 6.826 5.779 ( 2.677 3.950 0.000) 4.771 5.963 ( 6.791 -2.285 0.000) 7.165 5.995 ( -1.292 10.121 0.000) 10.203 6.215 ( -2.537 10.965 0.000) 11.255 6.247 ( -2.170 1.757 0.000) 2.792 6.612 ( 2.860 -3.970 0.000) 4.893 6.825 ( -1.495 -6.115 0.000) 6.295 6.993 ( 8.290 -4.448 0.000) 9.408 7.300 ( -3.322 -4.714 0.000) 5.767 7.381 ( -0.942 1.800 0.000) 2.031 7.420 ( -5.199 4.279 0.000) 6.733 7.517 ( 8.767 6.211 0.000) 10.744 7.929 ( -1.407 -7.685 0.000) 7.813 8.095 ( -3.453 -2.242 0.000) 4.117 8.147 ( -0.361 -5.941 0.000) 5.952 8.309 ( -0.706 -2.443 0.000) 2.543 8.380 ( 0.092 -1.287 0.000) 1.290 8.537 ( 8.242 -10.926 0.000) 13.686 8.705 ( 1.306 0.257 0.000) 1.331 8.880 ( 2.328 -12.516 0.000) 12.730 8.954 ( -2.377 -4.333 0.000) 4.942 9.262 ( 2.382 8.005 0.000) 8.352 9.575 ( -11.309 10.871 0.000) 15.687 10.722 ( 3.094 7.857 0.000) 8.445 10.812 ( 3.013 3.689 0.000) 4.763 10.925 ( -2.162 1.745 0.000) 2.778 11.013 ( -4.751 2.368 0.000) 5.308 11.082 ( 13.414 -13.162 0.000) 18.793 11.379 ( 0.440 -14.681 0.000) 14.687 11.879 ( -2.875 3.407 0.000) 4.458 11.951 ( -3.203 2.068 0.000) 3.813 12.195 ( 4.091 -4.125 0.000) 5.809 12.243 ( 3.351 -0.794 0.000) 3.443 12.353 ( 4.606 2.255 0.000) 5.128 12.572 ( -6.319 4.336 0.000) 7.663 12.797 ( -3.723 -5.866 0.000) 6.948 12.956 ( -18.362 13.924 0.000) 23.045 13.611 ( 0.743 11.577 0.000) 11.601 13.647 ( -1.057 8.404 0.000) 8.470 15.534 ( 16.750 -25.781 0.000) 30.745 15.810 ( -1.684 -15.157 0.000) 15.250 18.689 ( 0.017 8.674 0.000) 8.674 18.710 ( -1.121 9.968 0.000) 10.031 18.817 ( 4.228 15.857 0.000) 16.411 19.439 ( -40.987 47.145 0.000) 62.471 20.413 ( 0.523 0.253 0.000) 0.581 20.482 ( -1.464 -1.779 0.000) 2.304 21.139 ( 5.480 -3.832 0.000) 6.687 21.530 ( -9.881 -3.382 0.000) 10.443 22.125 ( 7.928 0.906 0.000) 7.980 22.445 ( -5.844 0.488 0.000) 5.864 22.683 ( 2.439 -1.271 0.000) 2.750 22.743 ( 1.000 -4.770 0.000) 4.874 22.990 ( 5.849 0.382 0.000) 5.861 23.238 ( -3.506 1.916 0.000) 3.995 23.859 ( 35.901 -40.516 0.000) 54.133 24.367 ( -2.385 -10.908 0.000) 11.165 ======================= Grid point 7 (6/90) ======================= q-point: (-0.50 0.12 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( -15.472 8.215 0.000) 17.517 1.356 ( 15.472 8.215 0.000) 17.517 1.392 ( -14.717 14.899 0.000) 20.942 1.392 ( 14.717 14.899 0.000) 20.942 2.572 ( -39.503 12.929 0.000) 41.565 2.572 ( 39.503 12.929 0.000) 41.565 2.748 ( -4.815 5.224 0.000) 7.105 2.748 ( 4.815 5.224 0.000) 7.105 3.184 ( -0.028 -7.717 0.000) 7.717 3.184 ( 0.028 -7.717 0.000) 7.717 3.484 ( -7.702 7.747 0.000) 10.924 3.484 ( 7.702 7.747 0.000) 10.924 3.669 ( -7.368 -3.251 0.000) 8.053 3.669 ( 7.368 -3.251 0.000) 8.053 4.035 ( -6.061 -2.315 0.000) 6.489 4.035 ( 6.061 -2.315 0.000) 6.489 4.393 ( -4.614 4.590 0.000) 6.509 4.393 ( 4.614 4.590 0.000) 6.509 4.756 ( -1.238 -7.209 0.000) 7.315 4.756 ( 1.238 -7.209 0.000) 7.315 4.893 ( -1.358 1.984 0.000) 2.405 4.893 ( 1.358 1.984 0.000) 2.405 5.072 ( -3.286 -8.290 0.000) 8.917 5.072 ( 3.286 -8.290 0.000) 8.917 5.165 ( -2.381 12.489 0.000) 12.714 5.165 ( 2.381 12.489 0.000) 12.714 5.810 ( -1.038 4.491 0.000) 4.610 5.810 ( 1.038 4.491 0.000) 4.610 5.994 ( -1.537 5.556 0.000) 5.764 5.994 ( 1.537 5.556 0.000) 5.764 6.205 ( -1.362 4.449 0.000) 4.653 6.205 ( 1.362 4.449 0.000) 4.653 6.730 ( -6.301 -5.481 0.000) 8.351 6.730 ( 6.301 -5.481 0.000) 8.351 7.183 ( -7.815 -5.555 0.000) 9.589 7.183 ( 7.815 -5.555 0.000) 9.589 7.365 ( -0.079 3.102 0.000) 3.103 7.365 ( 0.079 3.102 0.000) 3.103 7.744 ( -10.935 2.255 0.000) 11.165 7.744 ( 10.935 2.255 0.000) 11.165 8.117 ( -2.143 -6.482 0.000) 6.827 8.117 ( 2.143 -6.482 0.000) 6.827 8.341 ( -2.705 -0.412 0.000) 2.736 8.341 ( 2.705 -0.412 0.000) 2.736 8.699 ( -4.436 -11.556 0.000) 12.378 8.699 ( 4.436 -11.556 0.000) 12.378 8.898 ( -1.674 -5.998 0.000) 6.227 8.898 ( 1.674 -5.998 0.000) 6.227 9.362 ( -7.192 11.673 0.000) 13.711 9.362 ( 7.192 11.673 0.000) 13.711 10.817 ( -5.227 8.006 0.000) 9.561 10.817 ( 5.227 8.006 0.000) 9.561 10.902 ( -4.823 2.912 0.000) 5.634 10.902 ( 4.823 2.912 0.000) 5.634 11.318 ( -6.678 -17.176 0.000) 18.429 11.318 ( 6.678 -17.176 0.000) 18.429 11.869 ( -2.364 6.717 0.000) 7.121 11.869 ( 2.364 6.717 0.000) 7.121 12.280 ( -0.996 -2.094 0.000) 2.319 12.280 ( 0.996 -2.094 0.000) 2.319 12.460 ( -4.159 0.414 0.000) 4.179 12.460 ( 4.159 0.414 0.000) 4.179 12.752 ( -2.166 1.206 0.000) 2.478 12.752 ( 2.166 1.206 0.000) 2.478 13.629 ( -0.823 9.735 0.000) 9.769 13.629 ( 0.823 9.735 0.000) 9.769 15.743 ( -4.924 -19.029 0.000) 19.655 15.743 ( 4.924 -19.029 0.000) 19.655 18.694 ( -0.421 8.703 0.000) 8.713 18.694 ( 0.421 8.703 0.000) 8.713 18.964 ( -10.525 26.333 0.000) 28.358 18.964 ( 10.525 26.333 0.000) 28.358 20.444 ( -1.819 -1.307 0.000) 2.239 20.444 ( 1.819 -1.307 0.000) 2.239 21.307 ( -9.412 -3.450 0.000) 10.024 21.307 ( 9.412 -3.450 0.000) 10.024 22.296 ( -7.421 0.755 0.000) 7.460 22.296 ( 7.421 0.755 0.000) 7.460 22.727 ( -1.525 -2.041 0.000) 2.547 22.727 ( 1.525 -2.041 0.000) 2.547 23.129 ( -6.114 1.170 0.000) 6.225 23.129 ( 6.114 1.170 0.000) 6.225 24.263 ( -8.284 -19.599 0.000) 21.278 24.263 ( 8.284 -19.599 0.000) 21.278 ======================= Grid point 10 (7/90) ======================= q-point: ( 0.00 0.25 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( 0.000 28.299 0.000) 28.299 1.133 ( 0.000 27.693 0.000) 27.693 1.865 ( 0.000 35.634 0.000) 35.634 2.226 ( 0.000 14.031 0.000) 14.031 2.484 ( 0.000 24.157 0.000) 24.157 2.566 ( 0.000 3.655 0.000) 3.655 2.804 ( 0.000 -6.994 0.000) 6.994 2.935 ( 0.000 -9.793 0.000) 9.793 2.957 ( 0.000 -12.238 0.000) 12.238 3.383 ( 0.000 -10.201 0.000) 10.201 3.523 ( 0.000 14.488 0.000) 14.488 3.537 ( 0.000 -6.293 0.000) 6.293 3.630 ( 0.000 6.461 0.000) 6.461 3.922 ( 0.000 8.007 0.000) 8.007 4.110 ( 0.000 4.289 0.000) 4.289 4.347 ( 0.000 10.391 0.000) 10.391 4.402 ( 0.000 1.831 0.000) 1.831 4.503 ( 0.000 -12.428 0.000) 12.428 4.609 ( 0.000 -12.820 0.000) 12.820 4.626 ( 0.000 -4.855 0.000) 4.855 4.671 ( 0.000 -7.452 0.000) 7.452 4.955 ( 0.000 -5.775 0.000) 5.775 4.993 ( 0.000 2.391 0.000) 2.391 5.072 ( 0.000 -10.212 0.000) 10.212 5.318 ( 0.000 19.662 0.000) 19.662 5.480 ( 0.000 11.679 0.000) 11.679 5.856 ( 0.000 6.807 0.000) 6.807 5.857 ( 0.000 6.902 0.000) 6.902 5.866 ( 0.000 5.955 0.000) 5.955 6.263 ( 0.000 13.134 0.000) 13.134 6.356 ( 0.000 6.315 0.000) 6.315 6.369 ( 0.000 -0.973 0.000) 0.973 6.607 ( 0.000 5.945 0.000) 5.945 6.799 ( 0.000 0.013 0.000) 0.013 6.816 ( 0.000 -2.739 0.000) 2.739 7.205 ( 0.000 -9.273 0.000) 9.273 7.386 ( 0.000 -1.171 0.000) 1.171 7.574 ( 0.000 -1.858 0.000) 1.858 7.593 ( 0.000 -12.168 0.000) 12.168 7.624 ( 0.000 12.240 0.000) 12.240 7.980 ( 0.000 -11.228 0.000) 11.228 8.166 ( 0.000 -9.103 0.000) 9.103 8.236 ( 0.000 -7.803 0.000) 7.803 8.267 ( 0.000 -4.088 0.000) 4.088 8.274 ( 0.000 0.773 0.000) 0.773 8.703 ( 0.000 -2.146 0.000) 2.146 8.760 ( 0.000 0.454 0.000) 0.454 8.814 ( 0.000 -11.569 0.000) 11.569 9.425 ( 0.000 12.314 0.000) 12.314 9.866 ( 0.000 6.539 0.000) 6.539 10.555 ( 0.000 -9.035 0.000) 9.035 10.785 ( 0.000 -3.786 0.000) 3.786 10.891 ( 0.000 6.719 0.000) 6.719 11.112 ( 0.000 -6.459 0.000) 6.459 11.117 ( 0.000 3.825 0.000) 3.825 11.133 ( 0.000 3.169 0.000) 3.169 11.930 ( 0.000 -1.945 0.000) 1.945 11.937 ( 0.000 1.710 0.000) 1.710 12.052 ( 0.000 -6.367 0.000) 6.367 12.209 ( 0.000 1.556 0.000) 1.556 12.334 ( 0.000 0.921 0.000) 0.921 12.670 ( 0.000 -10.746 0.000) 10.746 12.788 ( 0.000 7.196 0.000) 7.196 13.317 ( 0.000 -6.023 0.000) 6.023 13.914 ( 0.000 18.631 0.000) 18.631 13.915 ( 0.000 10.757 0.000) 10.757 14.907 ( 0.000 -10.559 0.000) 10.559 15.490 ( 0.000 -19.186 0.000) 19.186 18.930 ( 0.000 15.194 0.000) 15.194 18.964 ( 0.000 12.582 0.000) 12.582 19.088 ( 0.000 17.988 0.000) 17.988 20.194 ( 0.000 -10.609 0.000) 10.609 20.456 ( 0.000 -2.099 0.000) 2.099 20.961 ( 0.000 -7.839 0.000) 7.839 21.227 ( 0.000 1.836 0.000) 1.836 21.419 ( 0.000 -2.452 0.000) 2.452 22.034 ( 0.000 1.911 0.000) 1.911 22.174 ( 0.000 -1.198 0.000) 1.198 22.535 ( 0.000 0.636 0.000) 0.636 22.616 ( 0.000 -1.419 0.000) 1.419 22.917 ( 0.000 0.351 0.000) 0.351 22.970 ( 0.000 -0.723 0.000) 0.723 23.345 ( 0.000 4.790 0.000) 4.790 24.167 ( 0.000 -13.436 0.000) 13.436 ======================= Grid point 11 (8/90) ======================= q-point: ( 0.25 0.25 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 14.118 23.192 0.000) 27.151 1.282 ( 14.143 22.569 0.000) 26.635 1.951 ( -9.863 12.020 0.000) 15.549 2.166 ( -19.298 15.706 0.000) 24.882 2.293 ( 21.235 29.860 0.000) 36.641 2.726 ( 6.017 6.119 0.000) 8.582 2.840 ( 1.919 -4.320 0.000) 4.727 2.973 ( 0.498 -10.522 0.000) 10.534 2.976 ( 2.735 -9.039 0.000) 9.443 3.264 ( -7.794 -3.032 0.000) 8.363 3.517 ( 0.675 11.486 0.000) 11.506 3.639 ( 0.957 6.214 0.000) 6.288 3.668 ( 5.925 -5.365 0.000) 7.994 3.827 ( -7.508 8.155 0.000) 11.085 4.111 ( -1.302 3.014 0.000) 3.283 4.120 ( -14.400 11.564 0.000) 18.469 4.440 ( -1.320 -3.286 0.000) 3.541 4.458 ( 2.993 2.334 0.000) 3.795 4.604 ( -0.582 -9.579 0.000) 9.596 4.645 ( -2.459 -8.162 0.000) 8.524 4.710 ( 5.203 -9.214 0.000) 10.582 4.942 ( -0.113 -4.692 0.000) 4.693 4.966 ( -3.990 -1.753 0.000) 4.359 5.003 ( -3.203 -5.756 0.000) 6.587 5.367 ( 2.986 15.468 0.000) 15.753 5.460 ( -1.622 12.295 0.000) 12.402 5.874 ( 1.798 3.862 0.000) 4.260 5.881 ( 1.724 5.780 0.000) 6.032 5.983 ( 7.131 6.555 0.000) 9.686 6.233 ( -3.387 13.413 0.000) 13.834 6.334 ( -0.321 7.383 0.000) 7.390 6.415 ( 2.796 5.783 0.000) 6.423 6.553 ( -2.295 1.545 0.000) 2.767 6.752 ( -3.983 -1.496 0.000) 4.255 6.898 ( 6.279 -4.669 0.000) 7.825 7.155 ( -3.810 -9.263 0.000) 10.016 7.373 ( -0.802 -1.970 0.000) 2.127 7.431 ( -4.615 -3.877 0.000) 6.027 7.688 ( 4.945 9.389 0.000) 10.611 7.765 ( 6.018 -8.925 0.000) 10.765 7.972 ( -0.882 -11.343 0.000) 11.378 8.031 ( -6.887 -3.805 0.000) 7.868 8.264 ( 2.935 -1.817 0.000) 3.452 8.336 ( 5.608 -8.750 0.000) 10.393 8.370 ( 2.844 -1.172 0.000) 3.076 8.639 ( -5.407 -5.444 0.000) 7.673 8.750 ( -0.307 -1.947 0.000) 1.972 8.802 ( -1.141 -10.274 0.000) 10.337 9.467 ( 3.769 12.483 0.000) 13.040 9.760 ( -7.660 9.296 0.000) 12.045 10.702 ( 9.167 -14.135 0.000) 16.847 10.809 ( 1.781 -5.923 0.000) 6.185 10.918 ( 2.466 6.022 0.000) 6.507 11.061 ( -3.247 2.527 0.000) 4.114 11.109 ( -0.520 4.825 0.000) 4.853 11.141 ( -0.505 -3.604 0.000) 3.639 11.931 ( -0.171 2.474 0.000) 2.480 11.945 ( 0.354 -1.549 0.000) 1.589 12.097 ( 4.850 -5.336 0.000) 7.211 12.262 ( 3.459 2.519 0.000) 4.279 12.365 ( 2.495 -1.177 0.000) 2.758 12.647 ( -0.441 -8.705 0.000) 8.716 12.681 ( -8.876 6.180 0.000) 10.815 13.068 ( -17.011 -0.097 0.000) 17.011 13.878 ( -0.629 13.891 0.000) 13.905 13.908 ( -0.581 17.864 0.000) 17.874 15.120 ( 12.925 -17.980 0.000) 22.143 15.457 ( -3.111 -19.622 0.000) 19.867 18.924 ( -0.406 14.787 0.000) 14.792 18.936 ( -1.395 13.231 0.000) 13.305 19.187 ( 8.162 18.528 0.000) 20.246 19.958 ( -24.470 5.032 0.000) 24.982 20.445 ( -0.762 -1.355 0.000) 1.554 20.540 ( -15.321 14.631 0.000) 21.185 21.027 ( 5.846 -7.595 0.000) 9.585 21.434 ( -9.428 -6.311 0.000) 11.345 22.153 ( 7.907 1.974 0.000) 8.150 22.461 ( -5.327 1.261 0.000) 5.474 22.598 ( 9.672 -9.364 0.000) 13.463 22.648 ( 1.634 -2.199 0.000) 2.740 23.002 ( 6.647 0.822 0.000) 6.697 23.296 ( -4.330 4.106 0.000) 5.967 23.314 ( 29.623 -15.948 0.000) 33.643 24.099 ( -6.498 -15.320 0.000) 16.641 ======================= Grid point 12 (9/90) ======================= q-point: (-0.50 0.25 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( -16.173 15.550 0.000) 22.436 1.589 ( 16.173 15.550 0.000) 22.436 1.708 ( -19.555 16.102 0.000) 25.331 1.708 ( 19.555 16.102 0.000) 25.331 2.796 ( -5.981 -1.488 0.000) 6.163 2.796 ( 5.981 -1.488 0.000) 6.163 2.883 ( -10.258 3.643 0.000) 10.886 2.883 ( 10.258 3.643 0.000) 10.886 3.046 ( -6.155 6.315 0.000) 8.819 3.046 ( 6.155 6.315 0.000) 8.819 3.604 ( -7.807 3.012 0.000) 8.368 3.604 ( 7.807 3.012 0.000) 8.368 3.687 ( -3.569 6.034 0.000) 7.011 3.687 ( 3.569 6.034 0.000) 7.011 4.030 ( -4.415 3.408 0.000) 5.577 4.030 ( 4.415 3.408 0.000) 5.577 4.474 ( -2.162 2.741 0.000) 3.491 4.474 ( 2.162 2.741 0.000) 3.491 4.598 ( -0.651 -8.783 0.000) 8.807 4.598 ( 0.651 -8.783 0.000) 8.807 4.835 ( -6.243 -8.014 0.000) 10.159 4.835 ( 6.243 -8.014 0.000) 10.159 4.962 ( -1.519 -3.106 0.000) 3.457 4.962 ( 1.519 -3.106 0.000) 3.457 5.420 ( -1.952 13.148 0.000) 13.292 5.420 ( 1.952 13.148 0.000) 13.292 5.902 ( -0.227 3.421 0.000) 3.429 5.902 ( 0.227 3.421 0.000) 3.429 6.124 ( -5.783 9.433 0.000) 11.065 6.124 ( 5.783 9.433 0.000) 11.065 6.377 ( -3.749 11.998 0.000) 12.570 6.377 ( 3.749 11.998 0.000) 12.570 6.632 ( -6.526 -3.815 0.000) 7.559 6.632 ( 6.526 -3.815 0.000) 7.559 7.046 ( -6.251 -7.948 0.000) 10.112 7.046 ( 6.251 -7.948 0.000) 10.112 7.370 ( -1.037 -2.857 0.000) 3.039 7.370 ( 1.037 -2.857 0.000) 3.039 7.797 ( -3.591 1.418 0.000) 3.861 7.797 ( 3.591 1.418 0.000) 3.861 7.948 ( -0.216 -9.058 0.000) 9.060 7.948 ( 0.216 -9.058 0.000) 9.060 8.350 ( -3.785 1.425 0.000) 4.044 8.350 ( 3.785 1.425 0.000) 4.044 8.489 ( -7.627 -9.702 0.000) 12.341 8.489 ( 7.627 -9.702 0.000) 12.341 8.768 ( -1.671 -6.953 0.000) 7.151 8.768 ( 1.671 -6.953 0.000) 7.151 9.589 ( -7.122 11.979 0.000) 13.936 9.589 ( 7.122 11.979 0.000) 13.936 10.826 ( -1.534 -12.694 0.000) 12.787 10.826 ( 1.534 -12.694 0.000) 12.787 10.987 ( -3.322 5.555 0.000) 6.473 10.987 ( 3.322 5.555 0.000) 6.473 11.114 ( -1.264 0.852 0.000) 1.525 11.114 ( 1.264 0.852 0.000) 1.525 11.937 ( -0.634 1.326 0.000) 1.470 11.937 ( 0.634 1.326 0.000) 1.470 12.240 ( -6.129 -2.876 0.000) 6.771 12.240 ( 6.129 -2.876 0.000) 6.771 12.472 ( -8.208 1.798 0.000) 8.403 12.472 ( 8.208 1.798 0.000) 8.403 12.753 ( -10.450 -1.301 0.000) 10.531 12.753 ( 10.450 -1.301 0.000) 10.531 13.889 ( -1.020 15.988 0.000) 16.021 13.889 ( 1.020 15.988 0.000) 16.021 15.345 ( -7.355 -20.349 0.000) 21.638 15.345 ( 7.355 -20.349 0.000) 21.638 18.920 ( -0.155 13.941 0.000) 13.942 18.920 ( 0.155 13.941 0.000) 13.942 19.455 ( -17.214 19.629 0.000) 26.108 19.455 ( 17.214 19.629 0.000) 26.108 20.435 ( -0.339 1.704 0.000) 1.738 20.435 ( 0.339 1.704 0.000) 1.738 21.205 ( -9.940 -6.957 0.000) 12.133 21.205 ( 9.940 -6.957 0.000) 12.133 22.322 ( -7.170 1.981 0.000) 7.439 22.322 ( 7.170 1.981 0.000) 7.439 22.667 ( -0.163 -4.082 0.000) 4.086 22.667 ( 0.163 -4.082 0.000) 4.086 23.164 ( -7.298 2.449 0.000) 7.698 23.164 ( 7.298 2.449 0.000) 7.698 23.852 ( -17.052 -19.950 0.000) 26.244 23.852 ( 17.052 -19.950 0.000) 26.244 ======================= Grid point 15 (10/90) ======================= q-point: ( 0.00 0.38 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( 0.000 27.160 0.000) 27.160 1.651 ( 0.000 25.013 0.000) 25.013 2.232 ( 0.000 7.566 0.000) 7.566 2.493 ( 0.000 -3.544 0.000) 3.544 2.494 ( 0.000 -14.820 0.000) 14.820 2.659 ( 0.000 -7.898 0.000) 7.898 2.821 ( 0.000 2.133 0.000) 2.133 2.874 ( 0.000 13.777 0.000) 13.777 2.980 ( 0.000 25.063 0.000) 25.063 3.205 ( 0.000 -6.313 0.000) 6.313 3.403 ( 0.000 -7.363 0.000) 7.363 3.703 ( 0.000 0.390 0.000) 0.390 3.794 ( 0.000 12.079 0.000) 12.079 4.080 ( 0.000 7.874 0.000) 7.874 4.180 ( 0.000 -4.486 0.000) 4.486 4.291 ( 0.000 -7.998 0.000) 7.998 4.318 ( 0.000 -10.224 0.000) 10.224 4.390 ( 0.000 -5.700 0.000) 5.700 4.540 ( 0.000 -1.950 0.000) 1.950 4.564 ( 0.000 11.201 0.000) 11.201 4.604 ( 0.000 2.820 0.000) 2.820 4.809 ( 0.000 -8.961 0.000) 8.961 4.900 ( 0.000 -7.404 0.000) 7.404 4.965 ( 0.000 -4.742 0.000) 4.742 5.689 ( 0.000 9.927 0.000) 9.927 5.713 ( 0.000 18.108 0.000) 18.108 5.942 ( 0.000 0.515 0.000) 0.515 5.972 ( 0.000 3.690 0.000) 3.690 6.035 ( 0.000 9.650 0.000) 9.650 6.295 ( 0.000 -4.583 0.000) 4.583 6.483 ( 0.000 11.045 0.000) 11.045 6.575 ( 0.000 14.329 0.000) 14.329 6.748 ( 0.000 6.253 0.000) 6.253 6.792 ( 0.000 0.374 0.000) 0.374 6.823 ( 0.000 1.973 0.000) 1.973 7.002 ( 0.000 -10.778 0.000) 10.778 7.336 ( 0.000 -12.877 0.000) 12.877 7.367 ( 0.000 0.348 0.000) 0.348 7.450 ( 0.000 -11.026 0.000) 11.026 7.690 ( 0.000 -12.271 0.000) 12.271 7.907 ( 0.000 10.704 0.000) 10.704 8.062 ( 0.000 -0.570 0.000) 0.570 8.121 ( 0.000 -3.764 0.000) 3.764 8.213 ( 0.000 -0.951 0.000) 0.951 8.230 ( 0.000 -4.849 0.000) 4.849 8.557 ( 0.000 -14.116 0.000) 14.116 8.695 ( 0.000 1.182 0.000) 1.182 8.756 ( 0.000 -0.863 0.000) 0.863 9.712 ( 0.000 16.909 0.000) 16.909 10.016 ( 0.000 8.544 0.000) 8.544 10.374 ( 0.000 -9.344 0.000) 9.344 10.489 ( 0.000 -20.574 0.000) 20.574 11.026 ( 0.000 6.667 0.000) 6.667 11.150 ( 0.000 4.490 0.000) 4.490 11.163 ( 0.000 0.638 0.000) 0.638 11.187 ( 0.000 2.060 0.000) 2.060 11.894 ( 0.000 -1.520 0.000) 1.520 11.941 ( 0.000 -4.590 0.000) 4.590 12.009 ( 0.000 5.830 0.000) 5.830 12.232 ( 0.000 0.059 0.000) 0.059 12.341 ( 0.000 -0.053 0.000) 0.053 12.454 ( 0.000 -10.197 0.000) 10.197 12.931 ( 0.000 7.287 0.000) 7.287 13.198 ( 0.000 -6.289 0.000) 6.289 14.145 ( 0.000 12.693 0.000) 12.693 14.301 ( 0.000 20.483 0.000) 20.483 14.672 ( 0.000 -13.152 0.000) 13.152 15.103 ( 0.000 -20.180 0.000) 20.180 19.215 ( 0.000 12.137 0.000) 12.137 19.261 ( 0.000 18.117 0.000) 18.117 19.365 ( 0.000 8.641 0.000) 8.641 19.942 ( 0.000 -15.019 0.000) 15.019 20.450 ( 0.000 2.546 0.000) 2.546 20.778 ( 0.000 -10.554 0.000) 10.554 21.269 ( 0.000 2.340 0.000) 2.340 21.369 ( 0.000 -2.650 0.000) 2.650 22.073 ( 0.000 2.030 0.000) 2.030 22.147 ( 0.000 -1.612 0.000) 1.612 22.549 ( 0.000 0.832 0.000) 0.832 22.589 ( 0.000 -1.246 0.000) 1.246 22.926 ( 0.000 0.563 0.000) 0.563 22.954 ( 0.000 -0.823 0.000) 0.823 23.467 ( 0.000 7.824 0.000) 7.824 23.896 ( 0.000 -13.605 0.000) 13.605 ======================= Grid point 16 (11/90) ======================= q-point: ( 0.25 0.38 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( 8.562 24.556 0.000) 26.005 1.730 ( 8.189 22.760 0.000) 24.188 2.187 ( -7.791 12.297 0.000) 14.557 2.411 ( -14.509 7.598 0.000) 16.378 2.493 ( 4.483 -10.568 0.000) 11.479 2.595 ( -1.776 -13.202 0.000) 13.321 2.685 ( 0.163 -11.610 0.000) 11.612 2.864 ( -8.579 -6.416 0.000) 10.713 3.155 ( 14.534 27.246 0.000) 30.880 3.285 ( 8.496 6.626 0.000) 10.774 3.569 ( 9.377 -5.387 0.000) 10.814 3.687 ( -1.617 3.904 0.000) 4.225 3.785 ( -0.371 8.895 0.000) 8.902 4.000 ( -6.660 9.970 0.000) 11.990 4.179 ( -0.784 1.178 0.000) 1.415 4.307 ( 2.703 -12.739 0.000) 13.022 4.374 ( -9.697 8.614 0.000) 12.971 4.383 ( 5.080 -6.576 0.000) 8.310 4.427 ( -2.358 -3.684 0.000) 4.374 4.580 ( 3.424 -2.924 0.000) 4.503 4.588 ( -2.090 4.146 0.000) 4.643 4.820 ( 1.140 -7.921 0.000) 8.002 4.835 ( -5.649 -6.548 0.000) 8.648 4.932 ( -2.735 -5.864 0.000) 6.470 5.671 ( -0.920 9.142 0.000) 9.188 5.690 ( -1.579 15.620 0.000) 15.700 5.901 ( -0.818 -0.969 0.000) 1.268 5.963 ( -1.113 1.671 0.000) 2.008 6.168 ( 8.433 9.874 0.000) 12.985 6.403 ( 8.253 -2.668 0.000) 8.674 6.494 ( -2.314 11.735 0.000) 11.961 6.529 ( -0.733 12.136 0.000) 12.158 6.706 ( -3.055 8.942 0.000) 9.449 6.773 ( -4.528 3.799 0.000) 5.911 6.829 ( 2.715 -2.019 0.000) 3.383 6.959 ( -2.761 -10.025 0.000) 10.399 7.292 ( -1.688 -8.259 0.000) 8.430 7.335 ( -2.512 -0.545 0.000) 2.571 7.540 ( 5.034 -14.397 0.000) 15.252 7.675 ( -1.303 -13.468 0.000) 13.531 7.902 ( 0.396 7.397 0.000) 7.408 8.011 ( -3.391 2.492 0.000) 4.208 8.181 ( 3.920 -6.624 0.000) 7.697 8.272 ( 1.982 -8.039 0.000) 8.280 8.276 ( 5.918 2.714 0.000) 6.510 8.584 ( 2.165 -11.253 0.000) 11.459 8.612 ( -6.772 2.111 0.000) 7.093 8.717 ( -3.200 -1.965 0.000) 3.756 9.749 ( 3.274 16.403 0.000) 16.727 9.957 ( -4.508 10.952 0.000) 11.843 10.435 ( 4.014 -13.187 0.000) 13.784 10.499 ( 0.616 -20.100 0.000) 20.109 11.042 ( 1.447 6.115 0.000) 6.284 11.145 ( -1.405 4.060 0.000) 4.296 11.168 ( 0.345 0.902 0.000) 0.966 11.169 ( -0.514 2.562 0.000) 2.613 11.918 ( 1.893 -0.697 0.000) 2.018 11.999 ( 5.302 -4.446 0.000) 6.920 12.002 ( -0.889 5.205 0.000) 5.281 12.292 ( -1.465 -6.507 0.000) 6.670 12.327 ( 4.231 3.754 0.000) 5.657 12.495 ( 5.483 -6.018 0.000) 8.141 12.804 ( -10.476 6.288 0.000) 12.218 13.019 ( -13.770 -4.131 0.000) 14.376 14.165 ( 2.132 15.284 0.000) 15.432 14.282 ( -1.778 19.860 0.000) 19.940 14.789 ( 8.252 -16.388 0.000) 18.348 15.067 ( -3.260 -20.053 0.000) 20.317 19.205 ( -0.312 13.390 0.000) 13.393 19.244 ( -1.375 17.292 0.000) 17.347 19.445 ( 6.681 6.233 0.000) 9.137 19.854 ( -7.818 -11.402 0.000) 13.825 20.468 ( 1.939 4.692 0.000) 5.077 20.847 ( 6.118 -10.620 0.000) 12.256 20.850 ( -19.793 14.635 0.000) 24.616 21.287 ( -10.733 -8.571 0.000) 13.735 22.204 ( 8.640 3.373 0.000) 9.275 22.419 ( 12.728 -8.120 0.000) 15.098 22.495 ( -4.102 2.182 0.000) 4.646 22.599 ( 0.005 -2.736 0.000) 2.736 23.023 ( 7.992 1.383 0.000) 8.111 23.128 ( 16.081 -5.269 0.000) 16.923 23.402 ( -5.792 6.840 0.000) 8.963 23.807 ( -8.270 -13.909 0.000) 16.182 ======================= Grid point 17 (12/90) ======================= q-point: (-0.50 0.38 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( -10.746 18.854 0.000) 21.702 1.933 ( 10.746 18.854 0.000) 21.702 2.026 ( -15.411 16.607 0.000) 22.655 2.026 ( 15.411 16.607 0.000) 22.655 2.642 ( -1.425 -14.122 0.000) 14.194 2.642 ( 1.425 -14.122 0.000) 14.194 2.659 ( -7.263 -14.616 0.000) 16.322 2.659 ( 7.263 -14.616 0.000) 16.322 3.411 ( -1.278 17.250 0.000) 17.298 3.411 ( 1.278 17.250 0.000) 17.298 3.689 ( -1.067 2.492 0.000) 2.711 3.689 ( 1.067 2.492 0.000) 2.711 3.805 ( -6.063 9.759 0.000) 11.489 3.805 ( 6.063 9.759 0.000) 11.489 4.177 ( -3.108 10.116 0.000) 10.583 4.177 ( 3.108 10.116 0.000) 10.583 4.389 ( -3.317 -11.928 0.000) 12.380 4.389 ( 3.317 -11.928 0.000) 12.380 4.511 ( -5.264 -0.419 0.000) 5.281 4.511 ( 5.264 -0.419 0.000) 5.281 4.686 ( -6.456 -5.244 0.000) 8.318 4.686 ( 6.456 -5.244 0.000) 8.318 4.865 ( -2.863 -6.779 0.000) 7.359 4.865 ( 2.863 -6.779 0.000) 7.359 5.664 ( -0.472 11.332 0.000) 11.341 5.664 ( 0.472 11.332 0.000) 11.341 5.923 ( -2.141 -1.305 0.000) 2.507 5.923 ( 2.141 -1.305 0.000) 2.507 6.352 ( -7.964 11.923 0.000) 14.338 6.352 ( 7.964 11.923 0.000) 14.338 6.558 ( -1.928 0.811 0.000) 2.092 6.558 ( 1.928 0.811 0.000) 2.092 6.663 ( -2.335 11.104 0.000) 11.346 6.663 ( 2.335 11.104 0.000) 11.346 6.896 ( -3.106 -6.526 0.000) 7.227 6.896 ( 3.106 -6.526 0.000) 7.227 7.287 ( -1.238 -3.769 0.000) 3.967 7.287 ( 1.238 -3.769 0.000) 3.967 7.629 ( -2.995 -15.057 0.000) 15.352 7.629 ( 2.995 -15.057 0.000) 15.352 7.939 ( -2.832 5.231 0.000) 5.948 7.939 ( 2.832 5.231 0.000) 5.948 8.264 ( -2.846 -10.004 0.000) 10.401 8.264 ( 2.846 -10.004 0.000) 10.401 8.439 ( -8.187 4.185 0.000) 9.195 8.439 ( 8.187 4.185 0.000) 9.195 8.642 ( -3.117 -5.809 0.000) 6.592 8.642 ( 3.117 -5.809 0.000) 6.592 9.846 ( -5.154 14.453 0.000) 15.345 9.846 ( 5.154 14.453 0.000) 15.345 10.497 ( -1.247 -18.016 0.000) 18.059 10.497 ( 1.247 -18.016 0.000) 18.059 11.090 ( -2.756 4.787 0.000) 5.523 11.090 ( 2.756 4.787 0.000) 5.523 11.172 ( -0.116 1.913 0.000) 1.917 11.172 ( 0.116 1.913 0.000) 1.917 11.966 ( -2.192 2.417 0.000) 3.263 11.966 ( 2.192 2.417 0.000) 3.263 12.153 ( -7.818 -5.646 0.000) 9.643 12.153 ( 7.818 -5.646 0.000) 9.643 12.538 ( -12.084 4.474 0.000) 12.886 12.538 ( 12.084 4.474 0.000) 12.886 12.706 ( -12.987 -3.289 0.000) 13.397 12.706 ( 12.987 -3.289 0.000) 13.397 14.227 ( -2.999 18.111 0.000) 18.357 14.227 ( 2.999 18.111 0.000) 18.357 14.959 ( -6.536 -19.233 0.000) 20.313 14.959 ( 6.536 -19.233 0.000) 20.313 19.214 ( -1.083 15.427 0.000) 15.465 19.214 ( 1.083 15.427 0.000) 15.465 19.638 ( -10.361 -0.875 0.000) 10.398 19.638 ( 10.361 -0.875 0.000) 10.398 20.560 ( -7.394 10.967 0.000) 13.227 20.560 ( 7.394 10.967 0.000) 13.227 21.036 ( -10.708 -10.324 0.000) 14.874 21.036 ( 10.708 -10.324 0.000) 14.874 22.377 ( -6.664 3.670 0.000) 7.608 22.377 ( 6.664 3.670 0.000) 7.608 22.572 ( -2.965 -5.461 0.000) 6.214 22.572 ( 2.965 -5.461 0.000) 6.214 23.228 ( -9.494 4.187 0.000) 10.376 23.228 ( 9.494 4.187 0.000) 10.376 23.529 ( -16.812 -12.901 0.000) 21.192 23.529 ( 16.812 -12.901 0.000) 21.192 ======================= Grid point 20 (13/90) ======================= q-point: ( 0.00 -0.50 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( 0.000 -19.319 0.000) 19.319 2.095 ( 0.000 19.319 0.000) 19.319 2.097 ( 0.000 -23.695 0.000) 23.695 2.097 ( 0.000 23.695 0.000) 23.695 2.502 ( 0.000 -7.417 0.000) 7.417 2.502 ( 0.000 7.417 0.000) 7.417 2.924 ( 0.000 -5.572 0.000) 5.572 2.924 ( 0.000 5.572 0.000) 5.572 3.247 ( 0.000 -8.151 0.000) 8.151 3.247 ( 0.000 8.151 0.000) 8.151 3.522 ( 0.000 -22.345 0.000) 22.345 3.522 ( 0.000 22.345 0.000) 22.345 3.962 ( 0.000 -7.084 0.000) 7.084 3.962 ( 0.000 7.084 0.000) 7.084 4.237 ( 0.000 -8.364 0.000) 8.364 4.237 ( 0.000 8.364 0.000) 8.364 4.243 ( 0.000 -2.870 0.000) 2.870 4.243 ( 0.000 2.870 0.000) 2.870 4.624 ( 0.000 -8.948 0.000) 8.948 4.624 ( 0.000 8.948 0.000) 8.948 4.694 ( 0.000 -2.489 0.000) 2.489 4.694 ( 0.000 2.489 0.000) 2.489 4.841 ( 0.000 -5.254 0.000) 5.254 4.841 ( 0.000 5.254 0.000) 5.254 5.866 ( 0.000 -7.453 0.000) 7.453 5.866 ( 0.000 7.453 0.000) 7.453 5.956 ( 0.000 -6.199 0.000) 6.199 5.956 ( 0.000 6.199 0.000) 6.199 6.195 ( 0.000 -6.339 0.000) 6.339 6.195 ( 0.000 6.339 0.000) 6.339 6.720 ( 0.000 -12.109 0.000) 12.109 6.720 ( 0.000 12.109 0.000) 12.109 6.809 ( 0.000 -0.043 0.000) 0.043 6.809 ( 0.000 0.043 0.000) 0.043 6.839 ( 0.000 -10.271 0.000) 10.271 6.839 ( 0.000 10.271 0.000) 10.271 7.232 ( 0.000 -6.463 0.000) 6.463 7.232 ( 0.000 6.463 0.000) 6.463 7.455 ( 0.000 -9.259 0.000) 9.259 7.455 ( 0.000 9.259 0.000) 9.259 8.067 ( 0.000 -3.514 0.000) 3.514 8.067 ( 0.000 3.514 0.000) 3.514 8.120 ( 0.000 -5.366 0.000) 5.366 8.120 ( 0.000 5.366 0.000) 5.366 8.296 ( 0.000 -10.794 0.000) 10.794 8.296 ( 0.000 10.794 0.000) 10.794 8.729 ( 0.000 -1.814 0.000) 1.814 8.729 ( 0.000 1.814 0.000) 1.814 10.080 ( 0.000 -20.403 0.000) 20.403 10.080 ( 0.000 20.403 0.000) 20.403 10.191 ( 0.000 -9.278 0.000) 9.278 10.191 ( 0.000 9.278 0.000) 9.278 11.133 ( 0.000 -3.766 0.000) 3.766 11.133 ( 0.000 3.766 0.000) 3.766 11.203 ( 0.000 -0.776 0.000) 0.776 11.203 ( 0.000 0.776 0.000) 0.776 11.885 ( 0.000 -1.012 0.000) 1.012 11.885 ( 0.000 1.012 0.000) 1.012 12.153 ( 0.000 -7.838 0.000) 7.838 12.153 ( 0.000 7.838 0.000) 7.838 12.343 ( 0.000 -1.065 0.000) 1.065 12.343 ( 0.000 1.065 0.000) 1.065 13.070 ( 0.000 -6.833 0.000) 6.833 13.070 ( 0.000 6.833 0.000) 6.833 14.406 ( 0.000 -13.737 0.000) 13.737 14.406 ( 0.000 13.737 0.000) 13.737 14.704 ( 0.000 -20.543 0.000) 20.543 14.704 ( 0.000 20.543 0.000) 20.543 19.395 ( 0.000 -5.005 0.000) 5.005 19.395 ( 0.000 5.005 0.000) 5.005 19.617 ( 0.000 -17.811 0.000) 17.811 19.617 ( 0.000 17.811 0.000) 17.811 20.573 ( 0.000 -9.437 0.000) 9.437 20.573 ( 0.000 9.437 0.000) 9.437 21.317 ( 0.000 -2.583 0.000) 2.583 21.317 ( 0.000 2.583 0.000) 2.583 22.112 ( 0.000 -1.892 0.000) 1.892 22.112 ( 0.000 1.892 0.000) 1.892 22.567 ( 0.000 -1.002 0.000) 1.002 22.567 ( 0.000 1.002 0.000) 1.002 22.939 ( 0.000 -0.746 0.000) 0.746 22.939 ( 0.000 0.746 0.000) 0.746 23.652 ( 0.000 -11.083 0.000) 11.083 23.652 ( 0.000 11.083 0.000) 11.083 ======================= Grid point 22 (14/90) ======================= q-point: ( 0.25 -0.50 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.154 ( 5.690 -19.782 0.000) 20.584 2.154 ( 5.690 19.782 0.000) 20.584 2.157 ( 5.160 -22.038 0.000) 22.634 2.157 ( 5.160 22.038 0.000) 22.634 2.447 ( -4.857 -12.256 0.000) 13.184 2.447 ( -4.857 12.256 0.000) 13.184 2.677 ( -15.449 -10.903 0.000) 18.909 2.677 ( -15.449 10.903 0.000) 18.909 3.441 ( 11.030 -7.693 0.000) 13.448 3.441 ( 11.030 7.693 0.000) 13.448 3.624 ( 6.451 -14.508 0.000) 15.877 3.624 ( 6.451 14.508 0.000) 15.877 3.960 ( 1.548 -12.316 0.000) 12.413 3.960 ( 1.548 12.316 0.000) 12.413 4.209 ( -2.672 -10.949 0.000) 11.270 4.209 ( -2.672 10.949 0.000) 11.270 4.278 ( 2.942 -5.492 0.000) 6.231 4.278 ( 2.942 5.492 0.000) 6.231 4.609 ( -8.136 -6.714 0.000) 10.549 4.609 ( -8.136 6.714 0.000) 10.549 4.651 ( 2.429 -8.297 0.000) 8.645 4.651 ( 2.429 8.297 0.000) 8.645 4.797 ( -3.172 -5.479 0.000) 6.332 4.797 ( -3.172 5.479 0.000) 6.332 5.824 ( -1.351 -6.418 0.000) 6.558 5.824 ( -1.351 6.418 0.000) 6.558 5.918 ( -3.130 -6.910 0.000) 7.586 5.918 ( -3.130 6.910 0.000) 7.586 6.327 ( 9.215 -5.909 0.000) 10.947 6.327 ( 9.215 5.909 0.000) 10.947 6.665 ( -4.676 -4.301 0.000) 6.353 6.665 ( -4.676 4.301 0.000) 6.353 6.810 ( 0.091 -1.466 0.000) 1.469 6.810 ( 0.091 1.466 0.000) 1.469 6.830 ( -0.680 -3.339 0.000) 3.408 6.830 ( -0.680 3.339 0.000) 3.408 7.268 ( 2.875 -9.424 0.000) 9.853 7.268 ( 2.875 9.424 0.000) 9.853 7.421 ( -2.903 -10.068 0.000) 10.479 7.421 ( -2.903 10.068 0.000) 10.479 8.048 ( -0.186 -7.083 0.000) 7.085 8.048 ( -0.186 7.083 0.000) 7.085 8.113 ( -0.897 -7.288 0.000) 7.343 8.113 ( -0.897 7.288 0.000) 7.343 8.387 ( 6.471 -8.323 0.000) 10.543 8.387 ( 6.471 8.323 0.000) 10.543 8.669 ( -5.003 -2.929 0.000) 5.797 8.669 ( -5.003 2.929 0.000) 5.797 10.104 ( 1.984 -19.598 0.000) 19.698 10.104 ( 1.984 19.598 0.000) 19.698 10.186 ( -0.724 -12.295 0.000) 12.316 10.186 ( -0.724 12.295 0.000) 12.316 11.141 ( 0.734 -3.572 0.000) 3.647 11.141 ( 0.734 3.572 0.000) 3.647 11.191 ( -0.995 -0.624 0.000) 1.174 11.191 ( -0.995 0.624 0.000) 1.174 11.932 ( 4.012 -2.193 0.000) 4.572 11.932 ( 4.012 2.193 0.000) 4.572 12.136 ( -2.505 -8.191 0.000) 8.565 12.136 ( -2.505 8.191 0.000) 8.565 12.404 ( 6.520 -3.989 0.000) 7.644 12.404 ( 6.520 3.989 0.000) 7.644 12.922 ( -11.903 -5.642 0.000) 13.172 12.922 ( -11.903 5.642 0.000) 13.172 14.472 ( 5.071 -16.011 0.000) 16.795 14.472 ( 5.071 16.011 0.000) 16.795 14.674 ( -2.712 -20.123 0.000) 20.305 14.674 ( -2.712 20.123 0.000) 20.305 19.421 ( 2.323 -7.528 0.000) 7.878 19.421 ( 2.323 7.528 0.000) 7.878 19.577 ( -3.332 -16.196 0.000) 16.536 19.577 ( -3.332 16.196 0.000) 16.536 20.630 ( 5.237 -10.790 0.000) 11.994 20.630 ( 5.237 10.790 0.000) 11.994 21.098 ( -14.639 -10.949 0.000) 18.280 21.098 ( -14.639 10.949 0.000) 18.280 22.288 ( 10.569 -5.367 0.000) 11.854 22.288 ( 10.569 5.367 0.000) 11.854 22.544 ( -2.152 -2.769 0.000) 3.507 22.544 ( -2.152 2.769 0.000) 3.507 23.059 ( 10.449 -2.394 0.000) 10.720 23.059 ( 10.449 2.394 0.000) 10.720 23.569 ( -7.510 -10.302 0.000) 12.749 23.569 ( -7.510 10.302 0.000) 12.749 ======================= Grid point 24 (15/90) ======================= q-point: (-0.50 -0.50 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.296 ( -5.109 -13.932 0.000) 14.839 2.296 ( 5.109 -13.932 0.000) 14.839 2.296 ( -5.109 13.932 0.000) 14.839 2.296 ( 5.109 13.932 0.000) 14.839 2.365 ( -10.251 -12.037 0.000) 15.810 2.365 ( 10.251 -12.037 0.000) 15.810 2.365 ( -10.251 12.037 0.000) 15.810 2.365 ( 10.251 12.037 0.000) 15.810 3.635 ( -5.601 -6.824 0.000) 8.828 3.635 ( 5.601 -6.824 0.000) 8.828 3.635 ( -5.601 6.824 0.000) 8.828 3.635 ( 5.601 6.824 0.000) 8.828 4.098 ( -7.999 -16.383 0.000) 18.232 4.098 ( 7.999 -16.383 0.000) 18.232 4.098 ( -7.999 16.383 0.000) 18.232 4.098 ( 7.999 16.383 0.000) 18.232 4.393 ( -8.570 -10.044 0.000) 13.204 4.393 ( 8.570 -10.044 0.000) 13.204 4.393 ( -8.570 10.044 0.000) 13.204 4.393 ( 8.570 10.044 0.000) 13.204 4.721 ( -3.607 -6.829 0.000) 7.723 4.721 ( 3.607 -6.829 0.000) 7.723 4.721 ( -3.607 6.829 0.000) 7.723 4.721 ( 3.607 6.829 0.000) 7.723 5.845 ( -2.795 -6.751 0.000) 7.307 5.845 ( 2.795 -6.751 0.000) 7.307 5.845 ( -2.795 6.751 0.000) 7.307 5.845 ( 2.795 6.751 0.000) 7.307 6.524 ( -8.014 -4.880 0.000) 9.383 6.524 ( 8.014 -4.880 0.000) 9.383 6.524 ( -8.014 4.880 0.000) 9.383 6.524 ( 8.014 4.880 0.000) 9.383 6.816 ( -0.497 -2.979 0.000) 3.020 6.816 ( 0.497 -2.979 0.000) 3.020 6.816 ( -0.497 2.979 0.000) 3.020 6.816 ( 0.497 2.979 0.000) 3.020 7.343 ( -3.743 -11.206 0.000) 11.814 7.343 ( 3.743 -11.206 0.000) 11.814 7.343 ( -3.743 11.206 0.000) 11.814 7.343 ( 3.743 11.206 0.000) 11.814 8.076 ( -2.150 -8.597 0.000) 8.861 8.076 ( 2.150 -8.597 0.000) 8.861 8.076 ( -2.150 8.597 0.000) 8.861 8.076 ( 2.150 8.597 0.000) 8.861 8.535 ( -6.651 -5.238 0.000) 8.466 8.535 ( 6.651 -5.238 0.000) 8.466 8.535 ( -6.651 5.238 0.000) 8.466 8.535 ( 6.651 5.238 0.000) 8.466 10.153 ( -2.136 -16.865 0.000) 17.000 10.153 ( 2.136 -16.865 0.000) 17.000 10.153 ( -2.136 16.865 0.000) 17.000 10.153 ( 2.136 16.865 0.000) 17.000 11.164 ( -1.302 -2.473 0.000) 2.795 11.164 ( 1.302 -2.473 0.000) 2.795 11.164 ( -1.302 2.473 0.000) 2.795 11.164 ( 1.302 2.473 0.000) 2.795 12.042 ( -5.374 -5.169 0.000) 7.457 12.042 ( 5.374 -5.169 0.000) 7.457 12.042 ( -5.374 5.169 0.000) 7.457 12.042 ( 5.374 5.169 0.000) 7.457 12.629 ( -13.059 -4.490 0.000) 13.809 12.629 ( -13.059 4.490 0.000) 13.809 12.629 ( 13.059 -4.490 0.000) 13.809 12.629 ( 13.059 4.490 0.000) 13.809 14.588 ( -4.920 -18.724 0.000) 19.360 14.588 ( 4.920 -18.724 0.000) 19.360 14.588 ( -4.920 18.724 0.000) 19.360 14.588 ( 4.920 18.724 0.000) 19.360 19.492 ( -3.904 -12.135 0.000) 12.747 19.492 ( 3.904 -12.135 0.000) 12.747 19.492 ( -3.904 12.135 0.000) 12.747 19.492 ( 3.904 12.135 0.000) 12.747 20.807 ( -10.888 -12.839 0.000) 16.834 20.807 ( 10.888 -12.839 0.000) 16.834 20.807 ( -10.888 12.839 0.000) 16.834 20.807 ( 10.888 12.839 0.000) 16.834 22.465 ( -5.424 -5.190 0.000) 7.507 22.465 ( 5.424 -5.190 0.000) 7.507 22.465 ( -5.424 5.190 0.000) 7.507 22.465 ( 5.424 5.190 0.000) 7.507 23.336 ( -12.920 -7.269 0.000) 14.825 23.336 ( 12.920 -7.269 0.000) 14.825 23.336 ( -12.920 7.269 0.000) 14.825 23.336 ( 12.920 7.269 0.000) 14.825 ======================= Grid point 45 (16/90) ======================= q-point: ( 0.00 0.00 0.10) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.517 ( 0.000 0.000 26.972) 26.972 0.558 ( 0.000 0.000 28.899) 28.899 0.991 ( 0.000 0.000 50.602) 50.602 1.816 ( 0.000 0.000 4.222) 4.222 2.079 ( 0.000 0.000 5.951) 5.951 2.427 ( 0.000 0.000 -2.963) 2.963 2.969 ( 0.000 0.000 -3.135) 3.135 3.051 ( 0.000 0.000 -3.827) 3.827 3.160 ( 0.000 0.000 -3.957) 3.957 3.176 ( 0.000 0.000 -4.365) 4.365 3.450 ( 0.000 0.000 3.931) 3.931 3.534 ( 0.000 0.000 -4.490) 4.490 3.638 ( 0.000 0.000 -1.560) 1.560 3.766 ( 0.000 0.000 -12.064) 12.064 3.929 ( 0.000 0.000 -1.290) 1.290 4.295 ( 0.000 0.000 13.793) 13.793 4.326 ( 0.000 0.000 -2.760) 2.760 4.558 ( 0.000 0.000 2.653) 2.653 4.631 ( 0.000 0.000 -2.143) 2.143 4.735 ( 0.000 0.000 -0.202) 0.202 4.770 ( 0.000 0.000 2.694) 2.694 4.922 ( 0.000 0.000 -0.092) 0.092 4.970 ( 0.000 0.000 -7.620) 7.620 5.086 ( 0.000 0.000 -8.981) 8.981 5.099 ( 0.000 0.000 -0.655) 0.655 5.414 ( 0.000 0.000 -3.853) 3.853 5.704 ( 0.000 0.000 6.813) 6.813 5.705 ( 0.000 0.000 -0.093) 0.093 5.833 ( 0.000 0.000 1.627) 1.627 5.959 ( 0.000 0.000 6.123) 6.123 6.148 ( 0.000 0.000 1.315) 1.315 6.259 ( 0.000 0.000 -0.777) 0.777 6.547 ( 0.000 0.000 -7.379) 7.379 6.855 ( 0.000 0.000 2.026) 2.026 7.158 ( 0.000 0.000 -5.518) 5.518 7.339 ( 0.000 0.000 -5.806) 5.806 7.356 ( 0.000 0.000 -5.176) 5.176 7.424 ( 0.000 0.000 -1.998) 1.998 7.443 ( 0.000 0.000 9.228) 9.228 7.900 ( 0.000 0.000 1.841) 1.841 8.209 ( 0.000 0.000 4.460) 4.460 8.221 ( 0.000 0.000 -5.567) 5.567 8.438 ( 0.000 0.000 -0.957) 0.957 8.475 ( 0.000 0.000 -1.902) 1.902 8.596 ( 0.000 0.000 2.399) 2.399 8.775 ( 0.000 0.000 -1.206) 1.206 8.819 ( 0.000 0.000 -0.192) 0.192 9.027 ( 0.000 0.000 1.363) 1.363 9.142 ( 0.000 0.000 -2.832) 2.832 9.150 ( 0.000 0.000 -3.629) 3.629 10.569 ( 0.000 0.000 -3.367) 3.367 10.744 ( 0.000 0.000 0.615) 0.615 10.807 ( 0.000 0.000 -2.642) 2.642 10.884 ( 0.000 0.000 -4.908) 4.908 11.110 ( 0.000 0.000 5.351) 5.351 11.329 ( 0.000 0.000 4.039) 4.039 11.830 ( 0.000 0.000 -8.700) 8.700 11.922 ( 0.000 0.000 -1.884) 1.884 11.974 ( 0.000 0.000 2.137) 2.137 12.078 ( 0.000 0.000 -13.915) 13.915 12.164 ( 0.000 0.000 -1.000) 1.000 12.410 ( 0.000 0.000 11.286) 11.286 12.587 ( 0.000 0.000 -0.921) 0.921 12.995 ( 0.000 0.000 6.818) 6.818 13.660 ( 0.000 0.000 7.544) 7.544 15.116 ( 0.000 0.000 -1.646) 1.646 15.636 ( 0.000 0.000 -0.149) 0.149 15.964 ( 0.000 0.000 -1.562) 1.562 18.572 ( 0.000 0.000 0.237) 0.237 18.603 ( 0.000 0.000 0.172) 0.172 18.658 ( 0.000 0.000 -0.195) 0.195 18.675 ( 0.000 0.000 -0.157) 0.157 20.409 ( 0.000 0.000 0.466) 0.466 20.521 ( 0.000 0.000 0.115) 0.115 21.161 ( 0.000 0.000 -2.811) 2.811 21.331 ( 0.000 0.000 -1.309) 1.309 21.992 ( 0.000 0.000 0.364) 0.364 22.182 ( 0.000 0.000 -1.496) 1.496 22.620 ( 0.000 0.000 -2.368) 2.368 22.881 ( 0.000 0.000 -2.992) 2.992 23.075 ( 0.000 0.000 7.914) 7.914 23.314 ( 0.000 0.000 5.978) 5.978 23.734 ( 0.000 0.000 0.892) 0.892 24.809 ( 0.000 0.000 -6.855) 6.855 ======================= Grid point 46 (17/90) ======================= q-point: ( 0.25 0.00 0.10) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( 21.185 0.000 16.157) 26.644 0.928 ( 22.354 0.000 20.730) 30.487 1.522 ( 36.717 0.000 25.698) 44.816 1.663 ( -12.957 0.000 5.247) 13.979 1.912 ( -9.931 0.000 9.943) 14.053 2.499 ( 5.705 0.000 -3.134) 6.509 2.821 ( -8.103 0.000 -3.521) 8.835 3.195 ( 7.735 0.000 -3.646) 8.551 3.197 ( 1.825 0.000 -5.762) 6.044 3.221 ( 2.083 0.000 -1.796) 2.751 3.288 ( -17.413 0.000 -3.815) 17.826 3.487 ( -4.302 0.000 -4.657) 6.340 3.588 ( 0.703 0.000 5.464) 5.509 3.842 ( -1.831 0.000 -2.180) 2.847 3.957 ( 3.117 0.000 0.108) 3.119 4.181 ( -1.571 0.000 4.687) 4.943 4.240 ( -7.065 0.000 -0.164) 7.067 4.589 ( -8.966 0.000 2.011) 9.189 4.597 ( 5.283 0.000 -3.193) 6.173 4.730 ( 5.272 0.000 -3.204) 6.169 4.864 ( 4.230 0.000 -5.009) 6.556 4.931 ( -2.883 0.000 -5.159) 5.909 4.980 ( 0.449 0.000 1.012) 1.107 5.044 ( -3.681 0.000 -5.964) 7.009 5.093 ( 1.433 0.000 -1.486) 2.064 5.290 ( -7.190 0.000 -0.869) 7.242 5.705 ( 1.576 0.000 1.731) 2.341 5.751 ( 1.952 0.000 1.570) 2.505 5.952 ( -0.190 0.000 6.524) 6.527 5.999 ( 8.784 0.000 -1.999) 9.009 6.085 ( -4.820 0.000 2.489) 5.425 6.193 ( -3.489 0.000 -2.624) 4.365 6.628 ( 7.257 0.000 -3.106) 7.893 6.904 ( 1.493 0.000 -1.151) 1.885 7.196 ( 2.772 0.000 -5.611) 6.258 7.207 ( -4.067 0.000 8.047) 9.016 7.309 ( -2.061 0.000 -4.803) 5.226 7.346 ( -3.883 0.000 -3.851) 5.469 7.549 ( 8.676 0.000 7.682) 11.589 8.057 ( -11.127 0.000 4.987) 12.194 8.071 ( 5.717 0.000 -4.201) 7.095 8.162 ( -2.734 0.000 -3.902) 4.764 8.313 ( -2.168 0.000 -2.327) 3.180 8.437 ( -2.960 0.000 0.978) 3.117 8.710 ( 7.721 0.000 2.101) 8.002 8.730 ( 8.953 0.000 4.032) 9.819 8.986 ( -3.637 0.000 1.335) 3.875 9.143 ( 0.055 0.000 -2.787) 2.788 9.148 ( -0.165 0.000 -3.435) 3.439 9.182 ( -1.382 0.000 -10.837) 10.925 10.599 ( 2.688 0.000 -3.354) 4.298 10.779 ( 3.137 0.000 0.335) 3.155 10.807 ( -5.588 0.000 -3.956) 6.847 10.955 ( -1.835 0.000 -3.743) 4.168 11.386 ( 18.793 0.000 -10.818) 21.684 11.431 ( 7.871 0.000 2.908) 8.391 11.825 ( -5.350 0.000 -3.007) 6.137 11.836 ( -8.994 0.000 1.648) 9.144 11.970 ( 7.677 0.000 -15.215) 17.042 12.122 ( 2.011 0.000 -18.604) 18.712 12.286 ( 7.469 0.000 -0.482) 7.484 12.467 ( 6.759 0.000 8.907) 11.181 12.548 ( -3.462 0.000 -0.827) 3.559 12.920 ( -6.870 0.000 4.471) 8.197 13.692 ( 3.091 0.000 11.321) 11.735 14.236 ( -32.137 0.000 35.276) 47.720 15.882 ( 4.774 0.000 -6.298) 7.903 15.961 ( -0.512 0.000 -1.795) 1.866 18.576 ( 0.386 0.000 0.220) 0.444 18.598 ( -0.405 0.000 0.170) 0.440 18.661 ( 0.230 0.000 -0.179) 0.292 18.673 ( -0.202 0.000 -0.155) 0.255 20.419 ( 1.607 0.000 0.075) 1.609 20.526 ( -1.682 0.000 2.082) 2.676 21.143 ( 4.675 0.000 -3.343) 5.747 21.479 ( -4.413 0.000 -7.118) 8.375 22.082 ( 8.891 0.000 -2.234) 9.167 22.392 ( 6.868 0.000 -5.259) 8.651 22.548 ( -2.936 0.000 -6.402) 7.043 22.778 ( -6.890 0.000 -3.503) 7.729 23.078 ( 4.065 0.000 7.774) 8.773 23.252 ( -2.314 0.000 4.742) 5.277 24.152 ( 18.467 0.000 -10.371) 21.180 24.665 ( -9.506 0.000 -0.378) 9.513 ======================= Grid point 47 (18/90) ======================= q-point: (-0.50 0.00 0.10) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( -20.263 0.000 8.616) 22.019 1.289 ( 20.263 0.000 8.616) 22.019 1.424 ( -21.628 0.000 12.865) 25.165 1.424 ( 21.628 0.000 12.865) 25.165 2.559 ( -41.846 0.000 10.342) 43.105 2.559 ( 41.846 0.000 10.342) 43.105 2.648 ( -7.510 0.000 -3.458) 8.268 2.648 ( 7.510 0.000 -3.458) 8.268 3.255 ( -0.601 0.000 -1.270) 1.405 3.255 ( 0.601 0.000 -1.270) 1.405 3.358 ( -6.934 0.000 -4.163) 8.088 3.358 ( 6.934 0.000 -4.163) 8.088 3.689 ( -7.459 0.000 -1.764) 7.664 3.689 ( 7.459 0.000 -1.764) 7.664 4.073 ( -7.117 0.000 0.947) 7.180 4.073 ( 7.117 0.000 0.947) 7.180 4.352 ( -11.658 0.000 0.863) 11.689 4.352 ( 11.658 0.000 0.863) 11.689 4.734 ( -5.402 0.000 -7.816) 9.501 4.734 ( 5.402 0.000 -7.816) 9.501 4.941 ( -2.905 0.000 -1.668) 3.350 4.941 ( 2.905 0.000 -1.668) 3.350 4.943 ( -4.568 0.000 -0.869) 4.650 4.943 ( 4.568 0.000 -0.869) 4.650 5.162 ( -4.410 0.000 -0.789) 4.480 5.162 ( 4.410 0.000 -0.789) 4.480 5.753 ( -1.887 0.000 -0.212) 1.898 5.753 ( 1.887 0.000 -0.212) 1.898 5.984 ( -3.495 0.000 5.517) 6.531 5.984 ( 3.495 0.000 5.517) 6.531 6.123 ( -3.393 0.000 -3.860) 5.139 6.123 ( 3.393 0.000 -3.860) 5.139 6.820 ( -8.271 0.000 0.553) 8.289 6.820 ( 8.271 0.000 0.553) 8.289 7.242 ( -4.895 0.000 -0.018) 4.895 7.242 ( 4.895 0.000 -0.018) 4.895 7.257 ( -2.612 0.000 -5.154) 5.778 7.257 ( 2.612 0.000 -5.154) 5.778 7.789 ( -12.352 0.000 6.237) 13.837 7.789 ( 12.352 0.000 6.237) 13.837 8.127 ( -1.363 0.000 -4.442) 4.646 8.127 ( 1.363 0.000 -4.442) 4.646 8.354 ( -4.107 0.000 -0.161) 4.110 8.354 ( 4.107 0.000 -0.161) 4.110 8.872 ( -6.551 0.000 1.598) 6.743 8.872 ( 6.551 0.000 1.598) 6.743 8.984 ( -12.581 0.000 -1.487) 12.668 8.984 ( 12.581 0.000 -1.487) 12.668 9.144 ( -0.122 0.000 -3.023) 3.026 9.144 ( 0.122 0.000 -3.023) 3.026 10.685 ( -4.998 0.000 -3.413) 6.053 10.685 ( 4.998 0.000 -3.413) 6.053 10.868 ( -4.620 0.000 -0.295) 4.630 10.868 ( 4.620 0.000 -0.295) 4.630 11.629 ( -9.538 0.000 1.969) 9.739 11.629 ( 9.538 0.000 1.969) 9.739 11.667 ( -8.925 0.000 -2.987) 9.412 11.667 ( 8.925 0.000 -2.987) 9.412 12.101 ( -3.732 0.000 -18.581) 18.952 12.101 ( 3.732 0.000 -18.581) 18.952 12.440 ( -6.192 0.000 -0.609) 6.222 12.440 ( 6.192 0.000 -0.609) 6.222 12.702 ( -12.126 0.000 2.472) 12.375 12.702 ( 12.126 0.000 2.472) 12.375 13.822 ( -9.900 0.000 21.772) 23.918 13.822 ( 9.900 0.000 21.772) 23.918 15.939 ( -1.524 0.000 -2.949) 3.319 15.939 ( 1.524 0.000 -2.949) 3.319 18.587 ( -0.555 0.000 0.187) 0.586 18.587 ( 0.555 0.000 0.187) 0.586 18.667 ( -0.301 0.000 -0.159) 0.341 18.667 ( 0.301 0.000 -0.159) 0.341 20.470 ( -2.820 0.000 1.160) 3.049 20.470 ( 2.820 0.000 1.160) 3.049 21.303 ( -8.898 0.000 -3.759) 9.659 21.303 ( 8.898 0.000 -3.759) 9.659 22.287 ( -9.203 0.000 -0.407) 9.213 22.287 ( 9.204 0.000 -0.407) 9.213 22.642 ( -6.077 0.000 -8.622) 10.548 22.642 ( 6.077 0.000 -8.622) 10.548 23.182 ( -4.282 0.000 5.788) 7.200 23.182 ( 4.282 0.000 5.788) 7.200 24.449 ( -10.499 0.000 -3.380) 11.029 24.449 ( 10.499 0.000 -3.380) 11.029 ======================= Grid point 50 (19/90) ======================= q-point: ( 0.00 0.12 0.10) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( 0.000 18.489 20.609) 27.687 0.790 ( 0.000 20.055 19.179) 27.750 1.362 ( 0.000 33.110 32.876) 46.660 2.051 ( 0.000 20.229 3.464) 20.523 2.103 ( 0.000 4.894 5.449) 7.324 2.473 ( 0.000 4.478 -1.443) 4.705 2.935 ( 0.000 -3.449 0.204) 3.455 3.057 ( 0.000 -5.015 -3.483) 6.106 3.148 ( 0.000 -4.403 -1.793) 4.754 3.212 ( 0.000 8.842 -5.836) 10.595 3.489 ( 0.000 4.826 1.064) 4.941 3.571 ( 0.000 1.262 -4.499) 4.673 3.576 ( 0.000 -5.298 0.052) 5.298 3.760 ( 0.000 2.306 -8.040) 8.364 3.929 ( 0.000 -0.397 -5.024) 5.040 4.317 ( 0.000 2.932 8.886) 9.357 4.422 ( 0.000 -2.407 -2.399) 3.398 4.513 ( 0.000 2.420 -5.799) 6.284 4.683 ( 0.000 1.596 -2.521) 2.984 4.718 ( 0.000 -4.990 0.421) 5.008 4.785 ( 0.000 -3.536 -2.491) 4.325 4.908 ( 0.000 2.932 -0.590) 2.991 4.997 ( 0.000 -4.053 -4.769) 6.259 5.011 ( 0.000 6.683 -4.261) 7.926 5.254 ( 0.000 9.257 -2.244) 9.525 5.311 ( 0.000 -8.603 0.563) 8.621 5.730 ( 0.000 2.131 -1.711) 2.733 5.774 ( 0.000 6.111 5.606) 8.292 5.840 ( 0.000 1.936 2.683) 3.308 6.069 ( 0.000 9.760 5.026) 10.978 6.250 ( 0.000 8.511 -0.546) 8.528 6.278 ( 0.000 2.280 -0.287) 2.298 6.517 ( 0.000 -2.595 -7.017) 7.481 6.834 ( 0.000 -1.661 1.068) 1.975 7.055 ( 0.000 -12.310 10.617) 16.256 7.284 ( 0.000 -4.529 -6.166) 7.651 7.286 ( 0.000 7.557 -7.935) 10.958 7.377 ( 0.000 0.855 -2.825) 2.951 7.649 ( 0.000 6.064 4.766) 7.712 7.807 ( 0.000 -8.524 1.480) 8.652 8.119 ( 0.000 -8.558 -3.540) 9.261 8.255 ( 0.000 3.503 3.729) 5.116 8.356 ( 0.000 -7.109 -0.687) 7.142 8.391 ( 0.000 -7.415 -1.101) 7.496 8.422 ( 0.000 -8.017 6.611) 10.391 8.736 ( 0.000 -3.374 -2.196) 4.026 8.742 ( 0.000 0.523 0.069) 0.528 8.984 ( 0.000 -5.436 -0.297) 5.444 9.223 ( 0.000 7.573 -1.143) 7.659 9.562 ( 0.000 14.756 -15.243) 21.215 10.645 ( 0.000 6.207 -4.320) 7.563 10.698 ( 0.000 -8.193 -2.730) 8.636 10.781 ( 0.000 4.037 0.213) 4.043 10.929 ( 0.000 2.570 -5.881) 6.418 11.173 ( 0.000 5.340 6.283) 8.246 11.353 ( 0.000 -8.689 0.467) 8.701 11.796 ( 0.000 0.587 -8.946) 8.965 11.944 ( 0.000 3.126 -4.239) 5.267 12.032 ( 0.000 -4.183 -12.565) 13.243 12.173 ( 0.000 0.841 -1.290) 1.540 12.365 ( 0.000 5.934 -2.356) 6.385 12.513 ( 0.000 27.037 -11.666) 29.447 12.611 ( 0.000 1.548 -3.081) 3.448 12.957 ( 0.000 -3.157 8.453) 9.023 13.702 ( 0.000 4.277 7.411) 8.557 14.847 ( 0.000 -36.466 40.205) 54.279 15.059 ( 0.000 -5.722 -1.373) 5.884 15.823 ( 0.000 -13.267 -0.629) 13.282 18.689 ( 0.000 8.623 -0.028) 8.623 18.733 ( 0.000 14.933 -0.515) 14.941 18.755 ( 0.000 7.974 -0.147) 7.975 19.801 ( 0.000 54.488 -57.467) 79.192 20.380 ( 0.000 -1.520 -0.877) 1.755 20.500 ( 0.000 -2.027 0.020) 2.027 21.167 ( 0.000 0.638 -3.162) 3.225 21.300 ( 0.000 -3.025 -2.056) 3.657 21.995 ( 0.000 0.364 0.352) 0.506 22.176 ( 0.000 -0.604 -1.423) 1.546 22.616 ( 0.000 -0.397 -1.940) 1.981 22.866 ( 0.000 -1.809 -2.685) 3.238 23.069 ( 0.000 -0.518 8.032) 8.048 23.330 ( 0.000 1.721 5.436) 5.702 23.408 ( 0.000 -23.166 25.792) 34.668 24.489 ( 0.000 -18.121 4.401) 18.648 ======================= Grid point 51 (20/90) ======================= q-point: ( 0.25 0.12 0.10) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( 19.339 14.840 14.440) 28.333 1.059 ( 18.434 13.147 17.810) 28.807 1.734 ( 18.252 18.098 15.583) 30.058 1.866 ( -14.592 17.211 5.000) 23.112 1.983 ( 1.078 10.694 12.464) 16.458 2.564 ( 6.439 6.643 -1.683) 9.403 2.867 ( -5.625 2.682 -1.678) 6.453 3.124 ( 3.680 -6.878 -2.034) 8.061 3.165 ( 1.570 -6.005 -1.737) 6.446 3.220 ( -5.743 1.263 -6.007) 8.407 3.332 ( -6.290 5.686 -2.074) 8.729 3.536 ( 2.414 1.279 -0.569) 2.790 3.612 ( -5.992 6.561 -2.851) 9.332 3.792 ( 0.569 -3.779 -0.950) 3.938 3.962 ( 1.972 0.137 -1.298) 2.365 4.149 ( -6.165 0.432 5.460) 8.247 4.363 ( -7.090 6.380 -1.989) 9.743 4.462 ( 0.157 -3.724 0.766) 3.805 4.707 ( 1.295 -2.760 -2.440) 3.905 4.735 ( -1.693 1.601 -5.030) 5.543 4.779 ( 2.203 -5.832 -5.781) 8.502 4.904 ( -1.446 -1.177 -0.879) 2.061 4.983 ( 1.642 -3.001 -4.073) 5.319 5.082 ( 1.785 7.620 -4.125) 8.847 5.216 ( -4.513 -2.247 1.106) 5.162 5.221 ( -2.932 6.580 0.236) 7.208 5.758 ( 1.973 4.076 -0.632) 4.572 5.798 ( 1.571 4.914 2.966) 5.951 5.956 ( 6.109 -0.712 0.260) 6.156 6.050 ( -1.377 8.467 4.954) 9.906 6.208 ( -2.649 9.047 -0.322) 9.433 6.226 ( -3.063 4.139 -1.210) 5.289 6.580 ( 5.907 -4.236 -3.252) 7.963 6.829 ( -1.143 -5.246 -0.361) 5.382 7.085 ( 2.927 -7.961 6.680) 10.797 7.251 ( -1.039 -2.610 -4.403) 5.223 7.320 ( -0.549 3.704 -6.627) 7.612 7.361 ( -1.417 2.205 -2.685) 3.752 7.624 ( 4.243 5.452 7.523) 10.214 7.923 ( 2.039 -8.622 -0.744) 8.891 8.081 ( -3.512 -5.663 -2.757) 7.211 8.126 ( -5.142 -1.388 0.446) 5.345 8.297 ( -0.521 -1.114 -1.003) 1.587 8.403 ( -0.759 -2.592 0.841) 2.829 8.564 ( 7.919 -10.825 3.152) 13.778 8.722 ( 1.694 -1.434 1.329) 2.587 8.850 ( 2.596 -11.001 -3.014) 11.698 8.956 ( -2.539 -4.984 -0.257) 5.599 9.245 ( 2.215 8.921 -1.387) 9.296 9.485 ( -6.526 12.496 -8.121) 16.269 10.677 ( 2.932 6.462 -4.421) 8.360 10.811 ( 2.518 3.404 -0.664) 4.286 10.849 ( 0.224 -1.333 -6.912) 7.043 10.938 ( 2.763 -1.966 -5.206) 6.214 11.147 ( 4.020 -4.502 4.594) 7.585 11.401 ( 1.197 -12.365 2.215) 12.619 11.811 ( 0.581 1.623 -7.126) 7.332 11.881 ( -3.028 3.493 -5.541) 7.216 12.068 ( 2.882 0.204 -9.907) 10.319 12.243 ( 3.122 2.384 -4.146) 5.711 12.415 ( -4.571 18.949 -10.563) 22.170 12.460 ( 7.654 -0.067 4.095) 8.680 12.572 ( -3.419 1.779 -4.238) 5.728 12.894 ( -6.235 -1.912 4.760) 8.074 13.741 ( 3.611 5.091 10.580) 12.284 14.209 ( -23.814 -1.231 31.397) 39.426 15.540 ( 14.843 -23.555 0.419) 27.845 15.804 ( -1.779 -14.274 -0.728) 14.403 18.689 ( 0.025 8.530 -0.014) 8.530 18.709 ( -1.032 10.009 -0.148) 10.063 18.808 ( 3.764 15.033 -0.859) 15.520 19.261 ( -23.926 42.095 -14.470) 50.535 20.401 ( 1.814 -1.351 -0.502) 2.317 20.509 ( -1.657 -1.508 1.964) 2.979 21.111 ( 4.220 -3.283 -2.864) 6.066 21.447 ( -4.523 -3.236 -7.090) 9.011 22.091 ( 8.779 0.989 -2.253) 9.118 22.384 ( 7.866 -0.853 -5.960) 9.906 22.541 ( -3.667 -0.633 -5.172) 6.372 22.759 ( -6.562 -1.972 -2.821) 7.410 23.081 ( 4.480 0.304 7.970) 9.148 23.261 ( -2.045 0.976 4.235) 4.803 23.909 ( 23.367 -21.506 2.903) 31.889 24.433 ( -4.994 -16.569 3.037) 17.569 ======================= Grid point 52 (21/90) ======================= q-point: (-0.50 0.12 0.10) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( -16.723 12.673 8.969) 22.819 1.461 ( 16.723 12.673 8.969) 22.819 1.494 ( -15.318 9.342 11.465) 21.292 1.494 ( 15.318 9.342 11.465) 21.292 2.633 ( -27.250 9.285 4.331) 29.113 2.633 ( 27.250 9.285 4.331) 29.113 2.744 ( -7.653 7.068 0.752) 10.445 2.744 ( 7.653 7.068 0.752) 10.445 3.180 ( -0.766 -6.835 -0.373) 6.888 3.180 ( 0.766 -6.835 -0.373) 6.888 3.443 ( -8.048 6.840 -4.046) 11.310 3.443 ( 8.048 6.840 -4.046) 11.310 3.644 ( -7.645 -2.085 -1.949) 8.160 3.644 ( 7.645 -2.085 -1.949) 8.160 4.069 ( -6.040 -1.316 2.916) 6.835 4.069 ( 6.040 -1.316 2.916) 6.835 4.373 ( -6.765 2.601 -1.606) 7.424 4.373 ( 6.765 2.601 -1.606) 7.424 4.719 ( -0.310 -3.428 -5.202) 6.238 4.719 ( 0.310 -3.428 -5.202) 6.238 4.847 ( -3.244 -2.698 -2.762) 5.043 4.847 ( 3.244 -2.698 -2.762) 5.043 5.045 ( -3.543 -0.984 -3.225) 4.891 5.045 ( 3.543 -0.984 -3.225) 4.891 5.180 ( -1.061 7.263 1.092) 7.421 5.180 ( 1.061 7.263 1.092) 7.421 5.805 ( -1.406 4.417 -0.302) 4.645 5.805 ( 1.406 4.417 -0.302) 4.645 6.022 ( -1.229 3.641 2.678) 4.684 6.022 ( 1.229 3.641 2.678) 4.684 6.183 ( -0.568 6.505 -1.204) 6.640 6.183 ( 0.568 6.505 -1.204) 6.640 6.740 ( -6.853 -6.347 -0.107) 9.341 6.740 ( 6.853 -6.347 -0.107) 9.341 7.183 ( -5.020 -5.459 -0.425) 7.428 7.183 ( 5.020 -5.459 -0.425) 7.428 7.324 ( -1.488 4.271 -3.666) 5.822 7.324 ( 1.488 4.271 -3.666) 5.822 7.799 ( -9.518 0.941 5.045) 10.813 7.799 ( 9.518 0.941 5.045) 10.813 8.067 ( -1.730 -5.916 -4.086) 7.395 8.067 ( 1.730 -5.916 -4.086) 7.395 8.346 ( -3.618 -0.539 0.006) 3.658 8.346 ( 3.618 -0.539 0.006) 3.658 8.716 ( -4.327 -11.828 1.547) 12.690 8.716 ( 4.327 -11.828 1.547) 12.690 8.888 ( -2.753 -5.308 -1.232) 6.105 8.888 ( 2.753 -5.308 -1.232) 6.105 9.333 ( -5.945 11.594 -2.788) 13.324 9.333 ( 5.945 11.594 -2.788) 13.324 10.765 ( -4.648 6.160 -5.174) 9.290 10.765 ( 4.648 6.160 -5.174) 9.290 10.892 ( -4.029 2.033 -1.062) 4.636 10.892 ( 4.029 2.033 -1.062) 4.636 11.333 ( -7.388 -15.734 1.226) 17.425 11.333 ( 7.388 -15.734 1.226) 17.425 11.831 ( -1.738 4.349 -4.447) 6.458 11.831 ( 1.738 4.349 -4.447) 6.458 12.172 ( -6.124 6.084 -9.735) 13.012 12.172 ( 6.124 6.084 -9.735) 13.012 12.458 ( -5.528 1.303 -1.309) 5.829 12.458 ( 5.528 1.303 -1.309) 5.829 12.693 ( -11.015 -0.692 0.562) 11.051 12.693 ( 11.015 -0.692 0.562) 11.051 13.873 ( -9.107 5.397 19.171) 21.899 13.873 ( 9.107 5.397 19.171) 21.899 15.735 ( -4.953 -17.609 -0.940) 18.316 15.735 ( 4.953 -17.609 -0.940) 18.316 18.693 ( -0.398 8.663 -0.027) 8.672 18.693 ( 0.398 8.663 -0.027) 8.672 18.933 ( -8.522 24.276 -2.894) 25.891 18.933 ( 8.522 24.276 -2.894) 25.891 20.454 ( -2.796 -1.470 1.034) 3.324 20.454 ( 2.796 -1.470 1.034) 3.324 21.270 ( -8.983 -3.466 -3.773) 10.342 21.270 ( 8.983 -3.466 -3.773) 10.342 22.294 ( -9.010 0.663 -0.464) 9.046 22.294 ( 9.010 0.663 -0.464) 9.046 22.627 ( -6.036 -1.540 -8.295) 10.373 22.627 ( 6.036 -1.540 -8.295) 10.373 23.192 ( -4.463 0.971 5.705) 7.308 23.192 ( 4.463 0.971 5.705) 7.308 24.267 ( -10.665 -16.503 -0.030) 19.649 24.267 ( 10.665 -16.503 -0.030) 19.649 ======================= Grid point 55 (22/90) ======================= q-point: ( 0.00 0.25 0.10) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( 0.000 23.566 12.752) 26.795 1.235 ( 0.000 24.036 10.120) 26.080 2.011 ( 0.000 24.922 12.520) 27.890 2.289 ( 0.000 18.593 7.926) 20.212 2.513 ( 0.000 23.107 2.919) 23.290 2.578 ( 0.000 4.866 1.386) 5.060 2.831 ( 0.000 -6.954 2.592) 7.421 2.904 ( 0.000 -8.371 -2.341) 8.692 2.996 ( 0.000 -9.898 3.702) 10.568 3.358 ( 0.000 -1.191 -2.732) 2.980 3.516 ( 0.000 -3.842 -2.502) 4.585 3.544 ( 0.000 8.451 1.731) 8.627 3.626 ( 0.000 5.374 -0.500) 5.397 3.887 ( 0.000 6.628 -3.569) 7.528 3.951 ( 0.000 6.239 -11.851) 13.393 4.390 ( 0.000 -1.026 -2.563) 2.761 4.407 ( 0.000 4.624 0.381) 4.640 4.419 ( 0.000 -9.260 -5.041) 10.543 4.568 ( 0.000 -7.901 -1.063) 7.972 4.633 ( 0.000 -6.534 0.971) 6.606 4.680 ( 0.000 -5.672 0.418) 5.688 4.911 ( 0.000 -5.253 -4.364) 6.829 4.982 ( 0.000 2.128 -1.096) 2.393 5.129 ( 0.000 -9.322 4.496) 10.350 5.276 ( 0.000 18.544 -4.034) 18.977 5.450 ( 0.000 10.773 -3.729) 11.400 5.792 ( 0.000 5.007 -3.713) 6.234 5.906 ( 0.000 6.204 4.617) 7.733 5.925 ( 0.000 6.064 2.701) 6.638 6.286 ( 0.000 10.974 1.927) 11.142 6.361 ( 0.000 -0.475 -0.769) 0.904 6.370 ( 0.000 8.125 2.215) 8.422 6.512 ( 0.000 4.821 -8.020) 9.357 6.815 ( 0.000 0.318 0.082) 0.328 6.882 ( 0.000 -5.772 5.467) 7.950 7.164 ( 0.000 -7.720 -4.156) 8.768 7.380 ( 0.000 -0.656 -0.820) 1.050 7.437 ( 0.000 5.296 -8.107) 9.684 7.596 ( 0.000 -12.547 0.504) 12.557 7.745 ( 0.000 3.122 5.892) 6.668 7.925 ( 0.000 -9.229 -3.339) 9.815 8.209 ( 0.000 -7.267 1.848) 7.499 8.233 ( 0.000 -7.610 -0.383) 7.620 8.290 ( 0.000 -5.514 3.270) 6.410 8.301 ( 0.000 0.120 2.641) 2.644 8.673 ( 0.000 -2.261 -2.735) 3.549 8.756 ( 0.000 0.396 -0.464) 0.610 8.822 ( 0.000 -10.502 0.415) 10.510 9.421 ( 0.000 12.271 -0.392) 12.277 9.766 ( 0.000 8.709 -9.409) 12.821 10.521 ( 0.000 -9.551 -3.464) 10.159 10.703 ( 0.000 -4.114 -6.741) 7.897 10.905 ( 0.000 7.934 0.040) 7.934 10.978 ( 0.000 2.500 -6.809) 7.254 11.132 ( 0.000 -8.357 2.143) 8.628 11.277 ( 0.000 4.404 7.153) 8.400 11.835 ( 0.000 3.004 -5.856) 6.582 11.939 ( 0.000 -4.685 -9.772) 10.837 11.986 ( 0.000 1.301 0.827) 1.542 12.196 ( 0.000 1.410 -1.747) 2.245 12.363 ( 0.000 -1.513 2.727) 3.119 12.588 ( 0.000 -5.144 -4.857) 7.075 12.925 ( 0.000 1.201 9.693) 9.767 12.983 ( 0.000 15.242 -18.895) 24.277 13.841 ( 0.000 10.458 5.445) 11.791 14.471 ( 0.000 -5.643 29.283) 29.822 14.900 ( 0.000 -10.190 -0.680) 10.213 15.502 ( 0.000 -18.320 1.021) 18.349 18.924 ( 0.000 14.891 -0.531) 14.901 18.964 ( 0.000 12.659 0.046) 12.659 19.073 ( 0.000 17.778 -1.427) 17.835 20.140 ( 0.000 -7.296 -9.015) 11.597 20.452 ( 0.000 -2.432 -0.367) 2.459 20.574 ( 0.000 13.750 -29.845) 32.860 21.183 ( 0.000 0.924 -4.321) 4.419 21.231 ( 0.000 -3.245 -5.904) 6.737 22.011 ( 0.000 1.327 -0.149) 1.335 22.158 ( 0.000 -1.212 -1.287) 1.768 22.608 ( 0.000 -0.259 -0.771) 0.813 22.795 ( 0.000 -5.339 2.378) 5.844 23.055 ( 0.000 -0.917 8.201) 8.252 23.098 ( 0.000 -7.981 23.419) 24.742 23.387 ( 0.000 4.143 4.242) 5.929 24.180 ( 0.000 -14.733 0.834) 14.756 ======================= Grid point 56 (23/90) ======================= q-point: ( 0.25 0.25 0.10) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( 13.911 19.314 11.101) 26.263 1.401 ( 13.182 20.206 11.225) 26.610 2.006 ( -9.111 11.230 5.786) 15.576 2.210 ( -17.619 15.739 4.434) 24.038 2.408 ( 17.020 25.084 10.943) 32.228 2.729 ( 5.756 6.715 0.487) 8.857 2.860 ( 1.613 -2.954 1.571) 3.714 2.954 ( 2.796 -7.401 -0.403) 7.922 3.000 ( 0.279 -9.778 1.560) 9.906 3.235 ( -8.216 -0.064 -3.072) 8.772 3.475 ( 0.270 8.179 -2.772) 8.641 3.609 ( 0.394 6.857 -2.905) 7.457 3.714 ( 4.855 -1.498 2.279) 5.568 3.806 ( -6.085 8.601 -2.136) 10.750 3.969 ( 1.343 2.231 -7.386) 7.832 4.227 ( -11.825 6.708 3.956) 14.159 4.388 ( -1.559 -3.200 -3.609) 5.069 4.447 ( 2.526 1.604 -0.598) 3.051 4.580 ( 1.261 -9.812 -3.531) 10.504 4.642 ( 0.727 -7.698 -2.990) 8.290 4.675 ( 0.461 -4.996 0.202) 5.021 4.862 ( -3.634 -4.302 -4.947) 7.495 4.986 ( 0.072 0.751 0.095) 0.760 5.069 ( -4.334 -6.868 4.570) 9.318 5.324 ( 3.306 14.730 -4.164) 15.660 5.429 ( -1.638 11.159 -3.579) 11.833 5.834 ( 2.580 3.634 -3.303) 5.547 5.893 ( -0.245 3.180 0.361) 3.210 6.022 ( 6.165 7.813 3.742) 10.632 6.255 ( -3.362 11.332 1.997) 11.988 6.342 ( -0.838 8.747 1.373) 8.894 6.406 ( 1.386 8.100 -1.080) 8.288 6.499 ( 1.584 -1.726 -4.548) 5.116 6.756 ( -4.540 -1.421 -0.612) 4.796 6.939 ( 4.461 -6.450 3.616) 8.636 7.126 ( -2.847 -8.201 -2.962) 9.173 7.367 ( -0.909 -1.214 -1.180) 1.922 7.392 ( -2.484 -0.344 -3.127) 4.008 7.690 ( 6.276 -3.519 -0.910) 7.252 7.780 ( 2.101 -2.929 1.530) 3.916 7.918 ( -0.540 -8.158 -2.898) 8.674 8.068 ( -7.475 -3.495 2.395) 8.592 8.264 ( 3.085 -2.399 0.051) 3.908 8.341 ( 3.903 -5.784 0.778) 7.021 8.406 ( 3.785 -3.583 3.077) 6.052 8.625 ( -4.234 -5.718 -1.512) 7.274 8.748 ( -0.114 -1.676 -0.167) 1.689 8.806 ( -1.374 -9.680 0.206) 9.779 9.455 ( 3.157 12.337 -1.074) 12.780 9.693 ( -5.712 9.947 -6.534) 13.201 10.648 ( 8.153 -13.238 -5.560) 16.511 10.729 ( 1.991 -5.695 -6.919) 9.180 10.917 ( 1.162 6.797 -0.851) 6.947 10.976 ( -0.362 3.316 -5.726) 6.627 11.117 ( -0.739 -4.007 1.960) 4.521 11.234 ( -3.548 0.677 5.104) 6.253 11.851 ( 1.268 2.649 -5.875) 6.568 11.906 ( -1.392 -0.035 -5.905) 6.067 12.080 ( 7.085 0.481 -0.558) 7.123 12.253 ( 3.946 0.767 -1.213) 4.199 12.430 ( 5.458 -2.146 5.176) 7.823 12.551 ( -2.296 -4.293 -5.812) 7.582 12.725 ( -13.410 8.525 -3.000) 16.171 12.910 ( -7.980 4.173 -3.711) 9.740 13.900 ( 4.923 11.392 7.504) 14.502 14.247 ( -11.882 5.816 21.091) 24.896 15.137 ( 12.882 -17.960 1.827) 22.178 15.469 ( -3.142 -18.798 0.984) 19.084 18.920 ( -0.311 14.528 -0.416) 14.538 18.936 ( -1.439 13.267 -0.044) 13.345 19.166 ( 7.467 18.281 -2.080) 19.857 19.837 ( -22.992 12.529 -12.447) 28.992 20.407 ( -0.503 2.119 -3.599) 4.207 20.507 ( -3.742 4.452 -1.293) 5.957 21.015 ( 2.628 -6.364 -1.494) 7.045 21.355 ( -5.351 -6.063 -6.996) 10.692 22.120 ( 8.603 1.956 -2.362) 9.133 22.356 ( 10.109 -2.175 -7.134) 12.563 22.529 ( -5.380 -0.331 -2.048) 5.766 22.703 ( -5.415 -3.565 -0.890) 6.544 23.090 ( 5.688 0.696 8.296) 10.083 23.284 ( 1.432 0.707 3.994) 4.301 23.531 ( 17.627 -13.322 13.315) 25.797 24.116 ( -5.911 -15.775 1.439) 16.907 ======================= Grid point 57 (24/90) ======================= q-point: (-0.50 0.25 0.10) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( -14.032 13.981 9.698) 22.054 1.688 ( 14.032 13.981 9.698) 22.054 1.783 ( -17.492 15.446 7.582) 24.537 1.783 ( 17.492 15.446 7.582) 24.537 2.805 ( -4.815 -1.115 0.626) 4.982 2.805 ( 4.815 -1.115 0.626) 4.982 2.878 ( -7.171 3.115 -0.365) 7.826 2.878 ( 7.171 3.115 -0.365) 7.826 3.064 ( -5.293 4.321 1.731) 7.049 3.064 ( 5.293 4.321 1.731) 7.049 3.548 ( -6.377 5.355 -3.487) 9.027 3.548 ( 6.377 5.355 -3.487) 9.027 3.713 ( -2.627 7.273 0.485) 7.748 3.713 ( 2.627 7.273 0.485) 7.748 4.047 ( -5.798 0.833 1.634) 6.081 4.047 ( 5.798 0.833 1.634) 6.081 4.423 ( -3.647 1.054 -3.493) 5.159 4.423 ( 3.647 1.054 -3.493) 5.159 4.615 ( -1.940 -5.908 -0.022) 6.218 4.615 ( 1.940 -5.908 -0.022) 6.218 4.764 ( -5.251 -6.085 -5.570) 9.779 4.764 ( 5.251 -6.085 -5.570) 9.779 4.996 ( -1.588 -2.983 2.429) 4.162 4.996 ( 1.588 -2.983 2.429) 4.162 5.386 ( -2.264 12.007 -3.627) 12.746 5.386 ( 2.264 12.007 -3.627) 12.746 5.880 ( -1.314 2.511 -2.233) 3.608 5.880 ( 1.314 2.511 -2.233) 3.608 6.149 ( -5.467 9.571 2.614) 11.328 6.149 ( 5.467 9.571 2.614) 11.328 6.366 ( -2.532 11.351 -0.730) 11.652 6.366 ( 2.532 11.351 -0.730) 11.652 6.628 ( -7.016 -4.126 -0.961) 8.196 6.628 ( 7.016 -4.126 -0.961) 8.196 7.046 ( -4.552 -7.920 -0.184) 9.137 7.046 ( 4.552 -7.920 -0.184) 9.137 7.357 ( -0.469 -1.460 -1.275) 1.994 7.357 ( 0.469 -1.460 -1.275) 1.994 7.797 ( -1.781 -4.460 -1.396) 5.002 7.797 ( 1.781 -4.460 -1.396) 5.002 7.934 ( -3.601 -4.115 0.233) 5.473 7.934 ( 3.601 -4.115 0.233) 5.473 8.351 ( -3.491 1.116 0.054) 3.666 8.351 ( 3.491 1.116 0.054) 3.666 8.505 ( -5.956 -9.436 1.351) 11.240 8.505 ( 5.956 -9.436 1.351) 11.240 8.769 ( -1.744 -6.509 0.018) 6.739 8.769 ( 1.744 -6.509 0.018) 6.739 9.557 ( -5.876 11.805 -3.109) 13.548 9.557 ( 5.876 11.805 -3.109) 13.548 10.754 ( -0.962 -10.989 -6.860) 12.990 10.754 ( 0.962 -10.989 -6.860) 12.990 10.952 ( -1.729 4.771 -3.003) 5.897 10.952 ( 1.729 4.771 -3.003) 5.897 11.146 ( -3.583 -1.577 2.404) 4.594 11.146 ( 3.583 -1.577 2.404) 4.594 11.880 ( -1.225 2.146 -5.250) 5.802 11.880 ( 1.225 2.146 -5.250) 5.802 12.261 ( -6.620 1.304 0.993) 6.820 12.261 ( 6.620 1.304 0.993) 6.820 12.480 ( -4.457 1.536 -0.559) 4.747 12.480 ( 4.457 1.536 -0.559) 4.747 12.684 ( -10.789 -0.335 -2.756) 11.140 12.684 ( 10.789 -0.335 -2.756) 11.140 14.038 ( -7.554 11.397 12.995) 18.864 14.038 ( 7.554 11.397 12.995) 18.864 15.358 ( -7.213 -19.666 1.103) 20.976 15.358 ( 7.213 -19.666 1.103) 20.976 18.918 ( -0.255 13.822 -0.188) 13.826 18.918 ( 0.255 13.822 -0.188) 13.826 19.404 ( -14.877 19.788 -5.027) 25.262 19.404 ( 14.877 19.788 -5.027) 25.262 20.437 ( -2.566 0.852 0.243) 2.715 20.437 ( 2.566 0.852 0.243) 2.715 21.167 ( -9.278 -6.986 -3.810) 12.223 21.167 ( 9.278 -6.986 -3.810) 12.223 22.316 ( -8.536 1.660 -0.767) 8.730 22.316 ( 8.536 1.660 -0.767) 8.730 22.582 ( -6.045 -3.078 -7.214) 9.902 22.582 ( 6.045 -3.078 -7.214) 9.902 23.223 ( -5.258 2.337 5.603) 8.031 23.223 ( 5.258 2.337 5.603) 8.031 23.907 ( -13.562 -18.161 4.694) 23.147 23.907 ( 13.562 -18.161 4.694) 23.147 ======================= Grid point 60 (25/90) ======================= q-point: ( 0.00 0.38 0.10) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( 0.000 24.435 6.433) 25.267 1.698 ( 0.000 22.803 4.964) 23.337 2.279 ( 0.000 6.773 4.489) 8.126 2.500 ( 0.000 -14.545 1.122) 14.588 2.517 ( 0.000 -6.098 2.002) 6.418 2.734 ( 0.000 -6.410 7.379) 9.775 2.860 ( 0.000 1.292 3.399) 3.636 2.866 ( 0.000 14.123 -0.290) 14.126 3.045 ( 0.000 24.572 6.669) 25.461 3.267 ( 0.000 -3.166 5.229) 6.112 3.420 ( 0.000 -6.049 1.878) 6.334 3.673 ( 0.000 -0.391 -3.048) 3.073 3.791 ( 0.000 12.865 -0.068) 12.865 4.006 ( 0.000 6.718 -7.553) 10.109 4.136 ( 0.000 6.346 -4.631) 7.856 4.216 ( 0.000 -8.711 -6.365) 10.788 4.288 ( 0.000 -10.298 -2.761) 10.661 4.363 ( 0.000 -4.283 -3.001) 5.229 4.473 ( 0.000 -7.029 -2.889) 7.600 4.602 ( 0.000 -2.528 -0.327) 2.549 4.628 ( 0.000 9.196 3.797) 9.949 4.798 ( 0.000 -4.670 -1.294) 4.846 4.957 ( 0.000 -4.530 -0.616) 4.572 4.958 ( 0.000 -7.988 4.934) 9.389 5.647 ( 0.000 17.039 -6.097) 18.096 5.657 ( 0.000 10.051 -3.695) 10.709 5.913 ( 0.000 5.088 -5.147) 7.237 5.962 ( 0.000 -1.239 0.915) 1.540 6.056 ( 0.000 7.614 1.034) 7.684 6.306 ( 0.000 -3.533 1.179) 3.724 6.486 ( 0.000 10.440 -0.476) 10.451 6.584 ( 0.000 11.646 1.547) 11.748 6.630 ( 0.000 5.332 -8.917) 10.390 6.826 ( 0.000 0.286 3.183) 3.196 6.859 ( 0.000 3.538 0.811) 3.629 6.988 ( 0.000 -9.836 -1.558) 9.959 7.316 ( 0.000 -10.415 -1.672) 10.549 7.388 ( 0.000 -2.032 1.775) 2.698 7.400 ( 0.000 -9.559 -4.542) 10.583 7.635 ( 0.000 -9.948 -4.709) 11.007 7.953 ( 0.000 7.813 4.217) 8.879 8.117 ( 0.000 -1.311 4.821) 4.996 8.121 ( 0.000 -3.544 -0.087) 3.546 8.222 ( 0.000 -0.374 0.865) 0.942 8.244 ( 0.000 -5.476 1.347) 5.639 8.573 ( 0.000 -12.151 1.449) 12.237 8.686 ( 0.000 0.936 -0.774) 1.215 8.752 ( 0.000 -0.832 -0.341) 0.899 9.700 ( 0.000 16.334 -1.149) 16.374 9.939 ( 0.000 9.186 -7.450) 11.827 10.330 ( 0.000 -9.934 -4.491) 10.902 10.448 ( 0.000 -18.686 -3.981) 19.106 11.024 ( 0.000 2.042 -6.676) 6.981 11.026 ( 0.000 3.244 0.264) 3.255 11.128 ( 0.000 5.731 -2.466) 6.239 11.318 ( 0.000 -0.677 5.039) 5.084 11.874 ( 0.000 -1.522 -4.614) 4.859 11.888 ( 0.000 1.145 -1.350) 1.770 12.032 ( 0.000 4.987 2.372) 5.523 12.224 ( 0.000 1.160 -1.737) 2.089 12.328 ( 0.000 -1.851 -0.915) 2.064 12.428 ( 0.000 -9.784 -2.411) 10.076 12.994 ( 0.000 4.826 5.981) 7.685 13.124 ( 0.000 1.039 -5.743) 5.836 14.103 ( 0.000 15.264 1.069) 15.301 14.524 ( 0.000 9.303 15.768) 18.308 14.671 ( 0.000 -12.995 0.072) 12.995 15.135 ( 0.000 -18.754 2.989) 18.991 19.216 ( 0.000 12.033 0.042) 12.034 19.249 ( 0.000 17.625 -1.250) 17.670 19.353 ( 0.000 9.214 -1.174) 9.289 19.915 ( 0.000 -14.357 -3.131) 14.695 20.434 ( 0.000 1.622 -1.530) 2.230 20.658 ( 0.000 -3.523 -12.480) 12.967 21.200 ( 0.000 -0.021 -11.379) 11.379 21.200 ( 0.000 0.645 -6.538) 6.570 22.046 ( 0.000 2.130 -0.919) 2.320 22.129 ( 0.000 -1.787 -1.234) 2.172 22.610 ( 0.000 0.536 0.996) 1.131 22.694 ( 0.000 -4.283 5.466) 6.944 23.026 ( 0.000 -1.131 12.883) 12.932 23.036 ( 0.000 -0.918 8.453) 8.503 23.497 ( 0.000 7.180 2.943) 7.759 23.903 ( 0.000 -13.300 0.634) 13.315 ======================= Grid point 61 (26/90) ======================= q-point: ( 0.25 0.38 0.10) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( 8.598 21.527 5.799) 23.895 1.812 ( 9.124 21.242 6.879) 24.121 2.236 ( -6.596 12.004 4.964) 14.568 2.446 ( -12.232 5.497 3.453) 13.848 2.509 ( 2.688 -11.457 1.558) 11.871 2.619 ( -1.899 -9.932 2.722) 10.472 2.746 ( -1.023 -11.395 5.988) 12.913 2.873 ( -8.452 -5.045 0.649) 9.865 3.161 ( 10.463 21.750 1.633) 24.191 3.317 ( 6.126 10.775 1.642) 12.503 3.569 ( 7.347 -1.322 0.422) 7.477 3.670 ( -0.106 0.202 -1.740) 1.755 3.793 ( 0.652 9.266 1.233) 9.371 3.964 ( -4.147 8.338 -3.650) 10.002 4.087 ( -1.471 7.126 -7.496) 10.447 4.242 ( 1.197 -4.558 -7.155) 8.567 4.332 ( 2.912 -11.988 0.099) 12.337 4.420 ( -0.719 -1.350 -1.589) 2.206 4.447 ( -2.090 -3.741 0.125) 4.287 4.561 ( -0.315 4.676 0.232) 4.692 4.586 ( -0.412 -2.096 0.463) 2.186 4.775 ( -2.885 -3.128 -1.813) 4.625 4.927 ( -2.311 -7.680 5.612) 9.789 4.937 ( -1.747 -5.511 0.770) 5.832 5.631 ( -0.851 12.020 -4.556) 12.883 5.645 ( -1.076 13.159 -4.236) 13.866 5.885 ( -1.033 0.051 -1.935) 2.194 5.926 ( -1.231 0.432 -3.540) 3.773 6.187 ( 7.720 7.755 1.132) 11.001 6.388 ( 5.811 -1.164 -1.139) 6.035 6.476 ( -1.330 7.684 -2.557) 8.207 6.552 ( -1.806 10.293 2.263) 10.693 6.626 ( -0.161 9.106 -5.502) 10.640 6.792 ( -4.791 4.481 -0.161) 6.562 6.854 ( 1.563 -1.298 2.584) 3.288 6.954 ( -2.341 -8.717 -0.739) 9.056 7.280 ( -1.134 -7.504 -1.102) 7.669 7.347 ( -2.903 -1.118 1.141) 3.313 7.487 ( 4.877 -14.103 -4.855) 15.692 7.626 ( -1.079 -11.880 -4.407) 12.717 7.936 ( -0.171 5.935 3.128) 6.711 8.052 ( -4.085 2.402 3.465) 5.870 8.194 ( 4.442 -6.001 1.322) 7.582 8.258 ( 3.962 -2.546 0.278) 4.718 8.316 ( 3.944 -3.038 2.233) 5.456 8.590 ( -0.169 -5.961 0.258) 5.969 8.613 ( -4.444 -2.348 0.343) 5.038 8.716 ( -2.936 -2.011 -0.012) 3.558 9.731 ( 2.688 15.910 -1.822) 16.238 9.898 ( -3.372 11.225 -5.860) 13.104 10.385 ( 3.876 -13.409 -5.011) 14.830 10.457 ( 0.539 -18.472 -4.121) 18.934 11.026 ( 0.597 3.525 -3.658) 5.115 11.045 ( 1.116 3.270 -3.010) 4.582 11.121 ( -0.232 3.432 -3.123) 4.646 11.257 ( -4.686 -0.502 2.221) 5.210 11.890 ( 2.234 1.711 -2.177) 3.558 11.951 ( 2.713 3.628 -3.081) 5.478 12.071 ( 3.983 0.049 5.285) 6.618 12.294 ( 4.065 2.957 -3.217) 5.968 12.350 ( 0.422 -7.093 4.401) 8.359 12.438 ( 5.210 -4.930 -5.210) 8.865 12.844 ( -12.356 5.036 3.484) 13.790 12.966 ( -12.402 0.307 -3.437) 12.873 14.172 ( 5.426 15.567 3.345) 16.822 14.433 ( -5.445 12.641 11.204) 17.748 14.809 ( 8.595 -15.996 2.319) 18.306 15.097 ( -3.508 -18.873 2.739) 19.391 19.203 ( -0.452 13.266 -0.166) 13.275 19.234 ( -1.191 16.940 -0.970) 17.010 19.428 ( 6.194 6.816 -1.737) 9.372 19.819 ( -8.213 -9.624 -3.921) 13.246 20.450 ( 1.913 4.204 -1.927) 5.005 20.686 ( -1.839 5.865 -10.425) 12.102 20.898 ( -6.821 -1.852 0.080) 7.068 21.214 ( -7.916 -8.298 -6.800) 13.333 22.167 ( 8.789 2.841 -2.809) 9.654 22.299 ( 10.779 -3.424 -6.180) 12.888 22.535 ( -5.888 1.063 0.230) 5.987 22.631 ( -4.519 -3.556 0.542) 5.775 23.111 ( 7.572 1.473 8.581) 11.539 23.231 ( 13.159 -4.995 9.522) 16.993 23.460 ( -2.660 4.099 5.667) 7.483 23.827 ( -7.004 -13.476 1.912) 15.307 ======================= Grid point 62 (27/90) ======================= q-point: (-0.50 0.38 0.10) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( -11.696 17.031 6.709) 21.722 1.998 ( 11.696 17.031 6.709) 21.722 2.087 ( -14.278 15.897 5.859) 22.157 2.087 ( 14.278 15.897 5.859) 22.157 2.642 ( -7.773 -13.679 0.985) 15.764 2.642 ( 7.773 -13.679 0.985) 15.764 2.700 ( -5.239 -13.291 3.056) 14.610 2.700 ( 5.239 -13.291 3.056) 14.610 3.363 ( -4.513 15.747 -4.209) 16.913 3.363 ( 4.513 15.747 -4.209) 16.913 3.671 ( -2.267 2.548 -1.229) 3.625 3.671 ( 2.267 2.548 -1.229) 3.625 3.843 ( -5.012 9.485 2.668) 11.054 3.843 ( 5.012 9.485 2.668) 11.054 4.143 ( -6.702 7.484 -3.876) 10.768 4.143 ( 6.702 7.484 -3.876) 10.768 4.368 ( -1.966 -6.786 -0.737) 7.104 4.368 ( 1.966 -6.786 -0.737) 7.104 4.516 ( -3.785 -4.991 -0.909) 6.330 4.516 ( 3.785 -4.991 -0.909) 6.330 4.670 ( -5.693 -1.013 -0.944) 5.859 4.670 ( 5.693 -1.013 -0.944) 5.859 4.902 ( -0.647 -6.764 3.590) 7.685 4.902 ( 0.647 -6.764 3.590) 7.685 5.625 ( -0.421 11.685 -4.126) 12.399 5.625 ( 0.421 11.685 -4.126) 12.399 5.895 ( -1.452 -1.291 -2.858) 3.456 5.895 ( 1.452 -1.291 -2.858) 3.456 6.348 ( -6.660 9.311 -1.002) 11.492 6.348 ( 6.660 9.311 -1.002) 11.492 6.527 ( -2.088 1.511 -2.222) 3.403 6.527 ( 2.088 1.511 -2.222) 3.403 6.666 ( -5.080 10.231 -0.130) 11.423 6.666 ( 5.080 10.231 -0.130) 11.423 6.902 ( -2.387 -5.785 0.520) 6.280 6.902 ( 2.387 -5.785 0.520) 6.280 7.288 ( -1.879 -3.944 0.173) 4.372 7.288 ( 1.879 -3.944 0.173) 4.372 7.578 ( -3.256 -14.504 -4.754) 15.606 7.578 ( 3.256 -14.504 -4.754) 15.606 7.969 ( -3.041 5.101 2.830) 6.578 7.969 ( 3.041 5.101 2.830) 6.578 8.281 ( -2.552 -9.129 1.402) 9.582 8.281 ( 2.552 -9.129 1.402) 9.582 8.445 ( -7.474 3.752 0.585) 8.383 8.445 ( 7.474 3.752 0.585) 8.383 8.647 ( -2.871 -5.807 0.500) 6.497 8.647 ( 2.871 -5.807 0.500) 6.497 9.810 ( -4.196 14.266 -3.531) 15.284 9.810 ( 4.196 14.266 -3.531) 15.284 10.451 ( -1.568 -17.382 -4.690) 18.072 10.451 ( 1.568 -17.382 -4.690) 18.072 11.047 ( -1.007 4.593 -3.810) 6.052 11.047 ( 1.007 4.593 -3.810) 6.052 11.156 ( -3.699 0.060 -1.582) 4.024 11.156 ( 3.699 0.060 -1.582) 4.024 11.948 ( -2.279 5.086 -1.578) 5.792 11.948 ( 2.279 5.086 -1.578) 5.792 12.207 ( -7.015 -5.859 3.709) 9.864 12.207 ( 7.015 -5.859 3.709) 9.864 12.539 ( -13.146 4.041 0.058) 13.753 12.539 ( 13.146 4.041 0.058) 13.753 12.667 ( -13.335 -1.702 -2.273) 13.634 12.667 ( 13.335 -1.702 -2.273) 13.634 14.305 ( -6.164 15.474 7.353) 18.208 14.305 ( 6.164 15.474 7.353) 18.208 14.983 ( -6.745 -18.606 2.315) 19.926 14.983 ( 6.745 -18.606 2.315) 19.926 19.209 ( -0.884 15.191 -0.536) 15.226 19.209 ( 0.884 15.191 -0.536) 15.226 19.607 ( -9.695 0.466 -3.194) 10.218 19.607 ( 9.695 0.466 -3.194) 10.218 20.538 ( -6.383 9.772 -2.078) 11.855 20.538 ( 6.383 9.772 -2.078) 11.855 20.998 ( -9.760 -10.317 -3.818) 14.706 20.998 ( 9.760 -10.317 -3.818) 14.706 22.360 ( -7.946 2.936 -1.618) 8.624 22.360 ( 7.946 2.936 -1.618) 8.624 22.510 ( -6.467 -4.101 -5.345) 9.339 22.510 ( 6.467 -4.101 -5.345) 9.339 23.287 ( -7.050 4.405 5.791) 10.132 23.287 ( 7.050 4.405 5.791) 10.132 23.601 ( -12.919 -12.793 6.520) 19.314 23.601 ( 12.919 -12.793 6.520) 19.314 ======================= Grid point 65 (28/90) ======================= q-point: ( 0.00 -0.50 0.10) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( 0.000 -1.256 0.413) 1.322 2.059 ( 0.000 1.256 0.413) 1.322 2.179 ( 0.000 -2.300 4.977) 5.483 2.179 ( 0.000 2.300 4.977) 5.483 2.557 ( 0.000 -9.124 5.432) 10.619 2.557 ( 0.000 9.124 5.432) 10.619 2.953 ( 0.000 -3.888 2.251) 4.493 2.953 ( 0.000 3.888 2.251) 4.493 3.283 ( 0.000 -7.152 4.416) 8.405 3.283 ( 0.000 7.152 4.416) 8.405 3.538 ( 0.000 -17.008 0.482) 17.015 3.538 ( 0.000 17.008 0.482) 17.015 3.989 ( 0.000 -8.419 2.845) 8.886 3.989 ( 0.000 8.419 2.845) 8.886 4.117 ( 0.000 -2.821 -7.988) 8.472 4.117 ( 0.000 2.821 -7.988) 8.472 4.277 ( 0.000 -1.612 -0.748) 1.777 4.277 ( 0.000 1.612 -0.748) 1.777 4.486 ( 0.000 -8.161 -8.084) 11.487 4.486 ( 0.000 8.161 -8.084) 11.487 4.802 ( 0.000 -2.020 5.171) 5.551 4.802 ( 0.000 2.020 5.171) 5.551 4.835 ( 0.000 -1.399 0.030) 1.399 4.835 ( 0.000 1.399 0.030) 1.399 5.819 ( 0.000 -3.938 -5.023) 6.383 5.819 ( 0.000 3.938 -5.023) 6.383 5.927 ( 0.000 -2.178 -3.155) 3.834 5.927 ( 0.000 2.178 -3.155) 3.834 6.210 ( 0.000 -6.850 1.435) 6.998 6.210 ( 0.000 6.850 1.435) 6.998 6.663 ( 0.000 -4.416 -6.878) 8.173 6.663 ( 0.000 4.416 -6.878) 8.173 6.777 ( 0.000 -9.053 -0.297) 9.058 6.777 ( 0.000 9.053 -0.297) 9.058 6.892 ( 0.000 -4.306 3.227) 5.381 6.892 ( 0.000 4.306 3.227) 5.381 7.206 ( 0.000 -4.738 -2.314) 5.273 7.206 ( 0.000 4.738 -2.314) 5.273 7.452 ( 0.000 -7.520 -0.436) 7.533 7.452 ( 0.000 7.520 -0.436) 7.533 8.079 ( 0.000 -2.885 1.164) 3.111 8.079 ( 0.000 2.885 1.164) 3.111 8.129 ( 0.000 -4.051 1.105) 4.199 8.129 ( 0.000 4.051 1.105) 4.199 8.334 ( 0.000 -10.845 3.315) 11.341 8.334 ( 0.000 10.845 3.315) 11.341 8.724 ( 0.000 -1.989 -0.412) 2.031 8.724 ( 0.000 1.989 -0.412) 2.031 10.044 ( 0.000 -15.393 -4.027) 15.911 10.044 ( 0.000 15.393 -4.027) 15.911 10.146 ( 0.000 -5.721 -4.072) 7.022 10.146 ( 0.000 5.721 -4.072) 7.022 11.050 ( 0.000 -0.329 -4.615) 4.627 11.050 ( 0.000 0.329 -4.615) 4.627 11.251 ( 0.000 -5.639 0.650) 5.676 11.251 ( 0.000 5.639 0.650) 5.676 11.877 ( 0.000 -1.223 0.372) 1.279 11.877 ( 0.000 1.223 0.372) 1.279 12.177 ( 0.000 -7.830 1.377) 7.950 12.177 ( 0.000 7.830 1.377) 7.950 12.303 ( 0.000 -0.381 -3.576) 3.596 12.303 ( 0.000 0.381 -3.576) 3.597 13.085 ( 0.000 -3.991 1.802) 4.379 13.085 ( 0.000 3.991 1.802) 4.379 14.400 ( 0.000 -14.650 0.331) 14.654 14.400 ( 0.000 14.650 0.331) 14.654 14.786 ( 0.000 -16.454 7.086) 17.915 14.786 ( 0.000 16.454 7.086) 17.915 19.390 ( 0.000 -4.495 -0.509) 4.524 19.390 ( 0.000 4.495 -0.509) 4.524 19.601 ( 0.000 -17.330 -1.767) 17.420 19.601 ( 0.000 17.330 -1.767) 17.420 20.530 ( 0.000 -7.391 -4.376) 8.589 20.530 ( 0.000 7.391 -4.376) 8.589 21.205 ( 0.000 -0.135 -9.786) 9.787 21.205 ( 0.000 0.135 -9.786) 9.787 22.089 ( 0.000 -2.197 -1.228) 2.517 22.089 ( 0.000 2.197 -1.228) 2.517 22.633 ( 0.000 -1.995 3.342) 3.892 22.633 ( 0.000 1.995 3.342) 3.892 23.022 ( 0.000 -0.423 9.442) 9.452 23.022 ( 0.000 0.423 9.442) 9.452 23.669 ( 0.000 -10.479 1.676) 10.612 23.669 ( 0.000 10.479 1.676) 10.612 ======================= Grid point 67 (29/90) ======================= q-point: ( 0.25 -0.50 0.10) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( 6.559 -12.440 1.355) 14.128 2.131 ( 6.559 12.440 1.355) 14.128 2.237 ( 5.149 -12.140 4.794) 14.031 2.237 ( 5.149 12.140 4.794) 14.031 2.503 ( -4.938 -12.483 5.464) 14.494 2.503 ( -4.938 12.483 5.464) 14.494 2.713 ( -15.368 -9.732 3.365) 18.499 2.713 ( -15.368 9.732 3.365) 18.499 3.439 ( 8.723 -8.396 0.668) 12.125 3.439 ( 8.723 8.396 0.668) 12.125 3.611 ( 3.869 -9.514 -2.202) 10.504 3.611 ( 3.869 9.514 -2.202) 10.504 3.996 ( 2.357 -12.422 3.160) 13.033 3.996 ( 2.357 12.422 3.160) 13.033 4.136 ( 0.614 -6.965 -5.524) 8.910 4.136 ( 0.614 6.965 -5.524) 8.910 4.274 ( 0.923 -6.909 -1.760) 7.189 4.274 ( 0.923 6.909 -1.760) 7.189 4.494 ( -1.147 -5.572 -6.303) 8.491 4.494 ( -1.147 5.572 -6.303) 8.491 4.754 ( -2.934 -10.120 5.142) 11.724 4.754 ( -2.934 10.120 5.142) 11.724 4.810 ( -2.179 -5.797 1.724) 6.428 4.810 ( -2.179 5.797 1.724) 6.428 5.795 ( -0.865 -5.509 -3.452) 6.559 5.795 ( -0.865 5.509 -3.452) 6.559 5.883 ( -3.174 -5.501 -3.461) 7.233 5.883 ( -3.174 5.501 -3.461) 7.233 6.319 ( 7.872 -5.626 -0.902) 9.718 6.319 ( 7.872 5.626 -0.902) 9.718 6.610 ( -4.028 -4.325 -5.348) 7.971 6.610 ( -4.028 4.325 -5.348) 7.971 6.801 ( 1.258 -6.180 -0.285) 6.313 6.801 ( 1.258 6.180 -0.285) 6.313 6.867 ( -1.840 -1.861 2.633) 3.712 6.867 ( -1.840 1.861 2.633) 3.712 7.237 ( 2.737 -7.284 -2.696) 8.235 7.237 ( 2.737 7.284 -2.696) 8.235 7.411 ( -3.484 -8.209 -1.030) 8.977 7.411 ( -3.484 8.209 -1.030) 8.977 8.063 ( 0.358 -6.882 1.608) 7.076 8.063 ( 0.358 6.882 1.608) 7.076 8.142 ( -0.486 -6.126 2.411) 6.602 8.142 ( -0.486 6.126 2.411) 6.602 8.403 ( 5.530 -8.407 1.558) 10.182 8.403 ( 5.530 8.407 1.558) 10.182 8.666 ( -4.760 -3.067 -0.124) 5.664 8.666 ( -4.760 3.067 -0.124) 5.664 10.067 ( 1.911 -15.403 -3.996) 16.027 10.067 ( 1.911 15.403 -3.996) 16.027 10.143 ( -0.545 -9.564 -4.002) 10.382 10.143 ( -0.545 9.564 -4.002) 10.382 11.068 ( 1.675 -0.815 -4.501) 4.872 11.068 ( 1.675 0.815 -4.501) 4.872 11.206 ( -3.539 -4.245 -1.182) 5.652 11.206 ( -3.539 4.245 -1.182) 5.652 11.942 ( 5.207 -3.091 1.331) 6.200 11.942 ( 5.207 3.091 1.331) 6.200 12.174 ( -2.398 -8.909 2.537) 9.569 12.174 ( -2.398 8.909 2.537) 9.569 12.363 ( 7.369 -3.477 -3.497) 8.867 12.363 ( 7.369 3.477 -3.497) 8.867 12.930 ( -12.595 -3.494 1.176) 13.123 12.930 ( -12.595 3.494 1.176) 13.123 14.481 ( 6.337 -15.404 1.562) 16.729 14.481 ( 6.337 15.404 1.562) 16.729 14.744 ( -3.711 -16.476 6.207) 17.993 14.744 ( -3.711 16.476 6.207) 17.993 19.414 ( 2.121 -6.976 -0.752) 7.330 19.414 ( 2.121 6.976 -0.752) 7.330 19.561 ( -3.264 -15.548 -1.708) 15.979 19.561 ( -3.264 15.548 -1.708) 15.979 20.592 ( 5.574 -9.178 -3.824) 11.399 20.592 ( 5.574 9.178 -3.824) 11.399 21.033 ( -12.316 -10.029 -5.986) 16.974 21.033 ( -12.316 10.029 -5.986) 16.974 22.230 ( 9.691 -3.495 -4.065) 11.075 22.230 ( 9.691 3.495 -4.065) 11.075 22.571 ( -5.003 -2.504 0.746) 5.644 22.571 ( -5.003 2.504 0.746) 5.644 23.152 ( 10.320 -2.932 9.231) 14.153 23.152 ( 10.320 2.932 9.231) 14.153 23.600 ( -6.269 -9.583 3.017) 11.842 23.600 ( -6.269 9.583 3.017) 11.842 ======================= Grid point 69 (30/90) ======================= q-point: (-0.50 -0.50 0.10) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.326 ( -8.249 -13.735 3.740) 16.453 2.326 ( 7.987 -13.696 3.740) 16.290 2.326 ( -7.987 13.696 3.740) 16.290 2.326 ( 8.249 13.735 3.740) 16.453 2.414 ( -8.183 -13.017 4.140) 15.923 2.414 ( 6.790 -12.815 4.140) 15.082 2.414 ( -6.790 12.815 4.140) 15.082 2.414 ( 8.183 13.017 4.140) 15.923 3.596 ( -4.153 -8.178 -3.226) 9.723 3.596 ( 2.782 -8.032 -3.226) 9.092 3.596 ( -2.782 8.032 -3.226) 9.092 3.596 ( 4.153 8.178 -3.226) 9.723 4.098 ( -4.280 -12.949 -0.587) 13.651 4.098 ( 4.190 -12.942 -0.587) 13.616 4.098 ( -4.190 12.942 -0.587) 13.616 4.098 ( 4.280 12.949 -0.587) 13.651 4.373 ( -7.726 -8.357 -1.938) 11.545 4.373 ( 7.463 -8.297 -1.938) 11.327 4.373 ( -7.463 8.297 -1.938) 11.327 4.373 ( 7.726 8.357 -1.938) 11.545 4.753 ( -2.354 -7.500 3.200) 8.487 4.753 ( 2.295 -7.495 3.200) 8.467 4.753 ( -2.295 7.495 3.200) 8.467 4.753 ( 2.354 7.500 3.200) 8.487 5.814 ( -2.324 -7.114 -3.255) 8.161 5.814 ( 2.180 -7.102 -3.255) 8.111 5.814 ( -2.180 7.102 -3.255) 8.111 5.814 ( 2.324 7.114 -3.255) 8.161 6.490 ( -6.787 -5.042 -3.429) 9.124 6.490 ( 4.518 -4.360 -3.429) 7.154 6.490 ( -4.518 4.360 -3.429) 7.154 6.490 ( 6.787 5.042 -3.429) 9.124 6.828 ( -1.140 -4.215 1.056) 4.493 6.828 ( 0.847 -4.198 1.056) 4.411 6.828 ( -0.847 4.198 1.056) 4.411 6.828 ( 1.140 4.215 1.056) 4.493 7.319 ( -4.321 -9.254 -2.186) 10.445 7.319 ( 4.198 -9.240 -2.186) 10.382 7.319 ( -4.198 9.240 -2.186) 10.382 7.319 ( 4.321 9.254 -2.186) 10.445 8.103 ( -2.521 -8.315 2.380) 9.009 8.103 ( 2.510 -8.314 2.380) 9.005 8.103 ( -2.510 8.314 2.380) 9.005 8.103 ( 2.521 8.315 2.380) 9.009 8.539 ( -6.338 -5.298 0.440) 8.273 8.539 ( 6.330 -5.296 0.440) 8.265 8.539 ( -6.330 5.296 0.440) 8.265 8.539 ( 6.338 5.298 0.440) 8.273 10.114 ( -1.713 -16.651 -3.942) 17.196 10.114 ( 1.638 -16.649 -3.942) 17.187 10.114 ( -1.638 16.649 -3.942) 17.187 10.114 ( 1.713 16.651 -3.942) 17.196 11.124 ( -2.942 -2.940 -3.570) 5.481 11.124 ( 0.668 -2.568 -3.570) 4.448 11.124 ( -0.668 2.568 -3.570) 4.448 11.124 ( 2.942 2.940 -3.570) 5.481 12.072 ( -5.421 -7.067 2.076) 9.145 12.072 ( 3.479 -6.754 2.076) 7.876 12.072 ( -3.479 6.754 2.076) 7.876 12.072 ( 5.421 7.067 2.076) 9.145 12.615 ( -14.284 -3.452 -0.613) 14.708 12.615 ( -14.271 3.439 -0.613) 14.693 12.615 ( 14.271 -3.439 -0.613) 14.693 12.615 ( 14.284 3.452 -0.613) 14.708 14.630 ( -6.087 -17.442 4.020) 18.906 14.630 ( 5.754 -17.413 4.020) 18.775 14.630 ( -5.754 17.413 4.020) 18.775 14.630 ( 6.087 17.442 4.020) 18.906 19.480 ( -3.632 -11.563 -1.304) 12.190 19.480 ( 3.605 -11.561 -1.304) 12.180 19.480 ( -3.605 11.561 -1.304) 12.180 19.480 ( 3.632 11.563 -1.304) 12.190 20.770 ( -10.075 -12.474 -3.543) 16.421 20.770 ( 8.330 -12.148 -3.543) 15.150 20.770 ( -8.330 12.148 -3.543) 15.150 20.770 ( 10.075 12.474 -3.543) 16.421 22.429 ( -7.690 -3.908 -3.225) 9.209 22.429 ( -1.233 -0.935 -3.225) 3.577 22.429 ( 1.233 0.935 -3.225) 3.577 22.429 ( 7.690 3.908 -3.225) 9.209 23.403 ( -10.679 -7.550 6.336) 14.532 23.403 ( 3.879 -5.680 6.336) 9.352 23.403 ( -3.879 5.680 6.336) 9.352 23.403 ( 10.679 7.550 6.336) 14.532 ======================= Grid point 90 (31/90) ======================= q-point: ( 0.00 0.00 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 0.000 0.000 25.920) 25.920 1.093 ( 0.000 0.000 27.282) 27.282 1.874 ( 0.000 0.000 39.581) 39.581 1.925 ( 0.000 0.000 6.859) 6.859 2.246 ( 0.000 0.000 12.408) 12.408 2.358 ( 0.000 0.000 -3.854) 3.854 2.880 ( 0.000 0.000 -6.252) 6.252 2.953 ( 0.000 0.000 -6.238) 6.238 3.085 ( 0.000 0.000 -3.035) 3.035 3.113 ( 0.000 0.000 -2.058) 2.058 3.399 ( 0.000 0.000 -9.796) 9.796 3.408 ( 0.000 0.000 -8.652) 8.652 3.591 ( 0.000 0.000 -3.029) 3.029 3.651 ( 0.000 0.000 0.227) 0.227 3.905 ( 0.000 0.000 -0.753) 0.753 4.269 ( 0.000 0.000 -3.315) 3.315 4.555 ( 0.000 0.000 11.823) 11.823 4.565 ( 0.000 0.000 -4.779) 4.779 4.576 ( 0.000 0.000 -1.105) 1.105 4.700 ( 0.000 0.000 -3.571) 3.571 4.821 ( 0.000 0.000 -7.252) 7.252 4.823 ( 0.000 0.000 3.677) 3.677 4.909 ( 0.000 0.000 -9.030) 9.030 4.932 ( 0.000 0.000 1.279) 1.279 5.072 ( 0.000 0.000 -2.359) 2.359 5.338 ( 0.000 0.000 -2.984) 2.984 5.700 ( 0.000 0.000 0.662) 0.662 5.853 ( 0.000 0.000 8.406) 8.406 5.890 ( 0.000 0.000 4.370) 4.370 6.097 ( 0.000 0.000 7.451) 7.451 6.177 ( 0.000 0.000 1.424) 1.424 6.234 ( 0.000 0.000 -1.754) 1.754 6.382 ( 0.000 0.000 -9.680) 9.680 6.854 ( 0.000 0.000 -2.805) 2.805 7.063 ( 0.000 0.000 -4.624) 4.624 7.201 ( 0.000 0.000 -8.276) 8.276 7.220 ( 0.000 0.000 -8.686) 8.686 7.356 ( 0.000 0.000 -5.540) 5.540 7.633 ( 0.000 0.000 10.719) 10.719 7.954 ( 0.000 0.000 3.823) 3.823 8.137 ( 0.000 0.000 -2.475) 2.475 8.309 ( 0.000 0.000 5.613) 5.613 8.388 ( 0.000 0.000 -3.842) 3.842 8.417 ( 0.000 0.000 -4.068) 4.068 8.646 ( 0.000 0.000 2.287) 2.287 8.750 ( 0.000 0.000 -1.375) 1.375 8.805 ( 0.000 0.000 -1.626) 1.626 8.975 ( 0.000 0.000 -7.769) 7.769 9.089 ( 0.000 0.000 -1.844) 1.844 9.137 ( 0.000 0.000 3.245) 3.245 10.487 ( 0.000 0.000 -4.832) 4.832 10.753 ( 0.000 0.000 0.161) 0.161 10.757 ( 0.000 0.000 -8.058) 8.058 10.762 ( 0.000 0.000 -1.917) 1.917 11.227 ( 0.000 0.000 6.465) 6.465 11.434 ( 0.000 0.000 6.670) 6.670 11.659 ( 0.000 0.000 -8.521) 8.521 11.791 ( 0.000 0.000 -14.718) 14.718 11.883 ( 0.000 0.000 -2.523) 2.523 12.029 ( 0.000 0.000 3.522) 3.522 12.133 ( 0.000 0.000 -2.329) 2.329 12.556 ( 0.000 0.000 -2.436) 2.436 12.643 ( 0.000 0.000 12.676) 12.676 13.119 ( 0.000 0.000 5.659) 5.659 13.857 ( 0.000 0.000 12.693) 12.693 15.070 ( 0.000 0.000 -3.193) 3.193 15.630 ( 0.000 0.000 -0.465) 0.465 15.914 ( 0.000 0.000 -3.751) 3.751 18.578 ( 0.000 0.000 0.456) 0.456 18.608 ( 0.000 0.000 0.362) 0.362 18.653 ( 0.000 0.000 -0.393) 0.393 18.671 ( 0.000 0.000 -0.313) 0.313 20.422 ( 0.000 0.000 0.876) 0.876 20.525 ( 0.000 0.000 0.304) 0.304 21.093 ( 0.000 0.000 -3.900) 3.900 21.293 ( 0.000 0.000 -2.659) 2.659 22.003 ( 0.000 0.000 0.717) 0.717 22.153 ( 0.000 0.000 -1.453) 1.453 22.582 ( 0.000 0.000 -1.553) 1.553 22.804 ( 0.000 0.000 -4.825) 4.825 23.250 ( 0.000 0.000 10.280) 10.280 23.462 ( 0.000 0.000 8.682) 8.682 23.757 ( 0.000 0.000 1.348) 1.348 24.635 ( 0.000 0.000 -10.938) 10.938 ======================= Grid point 91 (32/90) ======================= q-point: ( 0.25 0.00 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( 12.921 0.000 21.030) 24.682 1.346 ( 17.740 0.000 22.472) 28.630 1.799 ( -10.476 0.000 8.649) 13.585 1.989 ( -2.125 0.000 18.241) 18.364 2.254 ( 13.047 0.000 26.015) 29.104 2.425 ( 5.247 0.000 -4.277) 6.770 2.731 ( -7.985 0.000 -5.683) 9.801 3.039 ( -1.996 0.000 -8.982) 9.201 3.091 ( 7.152 0.000 -7.175) 10.130 3.181 ( -3.354 0.000 -4.336) 5.482 3.267 ( -0.672 0.000 3.223) 3.292 3.352 ( -3.991 0.000 -9.466) 10.273 3.647 ( 0.259 0.000 1.278) 1.304 3.771 ( 6.039 0.000 -4.876) 7.762 3.960 ( 4.759 0.000 0.338) 4.771 4.238 ( -4.138 0.000 -0.063) 4.138 4.386 ( -13.230 0.000 16.576) 21.208 4.498 ( -0.080 0.000 -6.865) 6.865 4.590 ( -8.197 0.000 -1.628) 8.357 4.621 ( -0.824 0.000 -7.316) 7.362 4.765 ( 2.911 0.000 -5.432) 6.163 4.844 ( 2.298 0.000 -4.492) 5.046 4.913 ( 0.074 0.000 -7.284) 7.284 4.986 ( -2.128 0.000 -0.789) 2.269 5.066 ( 2.126 0.000 -1.864) 2.827 5.272 ( -5.013 0.000 -0.840) 5.082 5.720 ( 1.806 0.000 1.326) 2.241 5.837 ( -1.677 0.000 6.562) 6.773 5.984 ( 5.432 0.000 0.804) 5.491 6.090 ( -0.361 0.000 7.094) 7.103 6.141 ( -2.489 0.000 3.024) 3.917 6.160 ( -4.274 0.000 -0.868) 4.361 6.536 ( 11.382 0.000 -6.542) 13.129 6.865 ( -0.121 0.000 -3.964) 3.966 7.092 ( 2.160 0.000 -5.392) 5.808 7.183 ( -1.467 0.000 -7.704) 7.842 7.218 ( -0.095 0.000 -6.378) 6.379 7.291 ( -4.454 0.000 -2.215) 4.974 7.721 ( 7.515 0.000 10.017) 12.522 8.022 ( 2.971 0.000 -0.851) 3.091 8.100 ( -2.351 0.000 -1.616) 2.853 8.172 ( -10.008 0.000 6.663) 12.024 8.264 ( -1.323 0.000 -2.382) 2.725 8.426 ( -2.596 0.000 -1.895) 3.214 8.746 ( 6.580 0.000 0.805) 6.629 8.784 ( 5.511 0.000 1.082) 5.616 8.954 ( -2.052 0.000 -6.247) 6.575 8.984 ( 4.468 0.000 -9.428) 10.434 9.090 ( 0.199 0.000 -1.437) 1.451 9.125 ( -1.017 0.000 2.321) 2.534 10.516 ( 2.552 0.000 -5.020) 5.631 10.700 ( -4.430 0.000 -6.955) 8.246 10.782 ( 2.940 0.000 -0.088) 2.942 10.869 ( 4.260 0.000 -4.108) 5.918 11.293 ( 8.282 0.000 -0.587) 8.303 11.511 ( 6.378 0.000 5.355) 8.328 11.704 ( 0.583 0.000 -7.235) 7.259 11.746 ( -1.419 0.000 -13.850) 13.922 11.877 ( -3.395 0.000 -2.940) 4.491 11.877 ( -6.413 0.000 0.077) 6.414 12.271 ( 7.432 0.000 -1.143) 7.520 12.520 ( -3.215 0.000 -2.223) 3.909 12.673 ( 3.469 0.000 11.757) 12.258 13.022 ( -8.045 0.000 5.748) 9.888 13.944 ( 7.693 0.000 14.351) 16.283 14.658 ( -25.127 0.000 12.621) 28.119 15.764 ( 6.115 0.000 -5.692) 8.354 15.905 ( -1.100 0.000 -4.120) 4.264 18.582 ( 0.348 0.000 0.425) 0.550 18.603 ( -0.407 0.000 0.347) 0.534 18.656 ( 0.265 0.000 -0.353) 0.441 18.669 ( -0.198 0.000 -0.307) 0.366 20.429 ( 1.957 0.000 1.041) 2.217 20.568 ( -0.148 0.000 2.150) 2.155 21.063 ( 2.639 0.000 -4.685) 5.377 21.344 ( -1.814 0.000 -6.707) 6.948 22.058 ( 6.804 0.000 -0.332) 6.812 22.281 ( 9.199 0.000 -5.325) 10.629 22.488 ( -8.140 0.000 -1.405) 8.261 22.693 ( -8.581 0.000 -4.852) 9.858 23.246 ( 1.868 0.000 9.785) 9.962 23.386 ( -2.995 0.000 8.397) 8.916 24.047 ( 16.961 0.000 -2.626) 17.163 24.567 ( -6.140 0.000 -8.229) 10.267 ======================= Grid point 92 (33/90) ======================= q-point: (-0.50 0.00 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( -15.185 0.000 13.634) 20.407 1.507 ( 15.185 0.000 13.634) 20.407 1.728 ( -16.079 0.000 17.792) 23.981 1.728 ( 16.079 0.000 17.792) 23.981 2.563 ( -7.116 0.000 -5.060) 8.732 2.563 ( 7.116 0.000 -5.060) 8.732 2.756 ( -22.602 0.000 6.918) 23.637 2.756 ( 22.602 0.000 6.918) 23.637 3.226 ( -5.863 0.000 -0.319) 5.872 3.226 ( 5.863 0.000 -0.319) 5.872 3.238 ( -6.081 0.000 -8.448) 10.409 3.238 ( 6.081 0.000 -8.448) 10.409 3.700 ( -6.105 0.000 3.462) 7.018 3.700 ( 6.105 0.000 3.462) 7.018 4.098 ( -7.256 0.000 1.632) 7.437 4.098 ( 7.256 0.000 1.632) 7.437 4.374 ( -9.520 0.000 2.527) 9.850 4.374 ( 9.520 0.000 2.527) 9.850 4.557 ( -3.996 0.000 -9.824) 10.606 4.557 ( 3.996 0.000 -9.824) 10.606 4.877 ( -6.017 0.000 -4.719) 7.647 4.877 ( 6.017 0.000 -4.719) 7.647 4.897 ( -1.778 0.000 -4.381) 4.728 4.897 ( 1.778 0.000 -4.381) 4.728 5.155 ( -5.075 0.000 -0.451) 5.095 5.155 ( 5.075 0.000 -0.451) 5.095 5.778 ( -3.209 0.000 3.214) 4.542 5.778 ( 3.209 0.000 3.214) 4.542 6.077 ( -3.513 0.000 -0.570) 3.559 6.077 ( 3.513 0.000 -0.570) 3.559 6.097 ( -1.222 0.000 5.782) 5.910 6.097 ( 1.222 0.000 5.782) 5.910 6.778 ( -8.546 0.000 -5.109) 9.956 6.778 ( 8.546 0.000 -5.109) 9.956 7.142 ( -2.194 0.000 -6.630) 6.984 7.142 ( 2.194 0.000 -6.630) 6.984 7.223 ( -1.144 0.000 -2.688) 2.921 7.223 ( 1.144 0.000 -2.688) 2.921 7.933 ( -10.963 0.000 8.427) 13.828 7.933 ( 10.963 0.000 8.427) 13.828 8.056 ( -1.715 0.000 -2.313) 2.880 8.056 ( 1.715 0.000 -2.313) 2.880 8.335 ( -5.108 0.000 -1.528) 5.331 8.335 ( 5.108 0.000 -1.528) 5.331 8.878 ( -4.938 0.000 -2.485) 5.528 8.878 ( 4.938 0.000 -2.485) 5.528 8.935 ( -6.643 0.000 -3.817) 7.662 8.935 ( 6.643 0.000 -3.817) 7.662 9.102 ( -0.892 0.000 0.068) 0.894 9.102 ( 0.892 0.000 0.068) 0.894 10.596 ( -4.532 0.000 -5.658) 7.249 10.596 ( 4.532 0.000 -5.658) 7.249 10.859 ( -3.346 0.000 -0.643) 3.407 10.859 ( 3.346 0.000 -0.643) 3.407 11.544 ( -11.186 0.000 -9.794) 14.868 11.544 ( 11.186 0.000 -9.794) 14.868 11.682 ( -8.647 0.000 3.555) 9.350 11.682 ( 8.647 0.000 3.555) 9.350 11.823 ( -3.873 0.000 -8.439) 9.285 11.823 ( 3.873 0.000 -8.439) 9.285 12.419 ( -5.841 0.000 -1.684) 6.079 12.419 ( 5.841 0.000 -1.684) 6.079 12.817 ( -9.139 0.000 8.114) 12.221 12.817 ( 9.139 0.000 8.114) 12.221 14.199 ( -15.897 0.000 17.014) 23.285 14.199 ( 15.897 0.000 17.014) 23.285 15.860 ( -3.020 0.000 -5.178) 5.995 15.860 ( 3.020 0.000 -5.178) 5.995 18.592 ( -0.521 0.000 0.367) 0.637 18.592 ( 0.521 0.000 0.367) 0.637 18.663 ( -0.316 0.000 -0.311) 0.443 18.663 ( 0.316 0.000 -0.311) 0.443 20.503 ( -4.188 0.000 2.283) 4.770 20.503 ( 4.188 0.000 2.283) 4.770 21.208 ( -8.400 0.000 -5.994) 10.319 21.208 ( 8.400 0.000 -5.994) 10.319 22.265 ( -10.710 0.000 -2.074) 10.909 22.265 ( 10.710 0.000 -2.074) 10.909 22.494 ( -9.367 0.000 -6.016) 11.133 22.494 ( 9.367 0.000 -6.016) 11.133 23.318 ( -3.569 0.000 8.258) 8.997 23.318 ( 3.569 0.000 8.258) 8.997 24.368 ( -11.862 0.000 -4.944) 12.851 24.368 ( 11.862 0.000 -4.944) 12.851 ======================= Grid point 95 (34/90) ======================= q-point: ( 0.00 0.12 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( 0.000 13.859 23.039) 26.886 1.205 ( 0.000 10.960 23.210) 25.667 2.002 ( 0.000 12.932 27.385) 30.285 2.143 ( 0.000 17.485 6.788) 18.756 2.294 ( 0.000 7.882 16.176) 17.994 2.447 ( 0.000 8.257 -1.031) 8.321 2.929 ( 0.000 3.274 -1.350) 3.541 3.002 ( 0.000 -3.570 -1.835) 4.014 3.087 ( 0.000 8.187 -6.490) 10.447 3.092 ( 0.000 -1.995 -3.429) 3.967 3.416 ( 0.000 1.476 -10.685) 10.787 3.468 ( 0.000 5.065 -6.083) 7.916 3.555 ( 0.000 -2.511 -1.945) 3.176 3.638 ( 0.000 0.846 -1.991) 2.163 3.885 ( 0.000 -2.480 -0.513) 2.532 4.303 ( 0.000 0.963 -6.303) 6.376 4.417 ( 0.000 -6.322 -0.411) 6.336 4.545 ( 0.000 -3.148 3.054) 4.386 4.671 ( 0.000 2.178 3.216) 3.884 4.710 ( 0.000 -1.871 -4.417) 4.797 4.725 ( 0.000 -5.167 0.332) 5.178 4.841 ( 0.000 1.213 -7.080) 7.183 4.928 ( 0.000 -2.375 -0.409) 2.410 4.933 ( 0.000 8.354 -3.510) 9.062 5.178 ( 0.000 7.096 -5.960) 9.267 5.303 ( 0.000 -3.467 -0.685) 3.534 5.696 ( 0.000 -0.080 -1.261) 1.264 5.907 ( 0.000 1.805 4.087) 4.468 5.912 ( 0.000 5.233 8.222) 9.746 6.179 ( 0.000 6.940 5.578) 8.904 6.235 ( 0.000 5.193 -1.340) 5.363 6.277 ( 0.000 5.210 0.695) 5.256 6.369 ( 0.000 -1.001 -7.764) 7.828 6.813 ( 0.000 -3.206 -3.684) 4.884 7.135 ( 0.000 -3.728 -9.297) 10.016 7.145 ( 0.000 6.922 -6.509) 9.502 7.179 ( 0.000 -12.062 1.655) 12.176 7.293 ( 0.000 3.889 -5.597) 6.815 7.750 ( 0.000 7.504 6.364) 9.839 7.853 ( 0.000 -9.432 3.367) 10.015 8.054 ( 0.000 -8.041 -2.128) 8.317 8.321 ( 0.000 -5.895 -2.772) 6.514 8.339 ( 0.000 0.417 3.101) 3.129 8.357 ( 0.000 -3.916 -0.985) 4.038 8.548 ( 0.000 -9.100 5.687) 10.731 8.686 ( 0.000 -4.841 -2.767) 5.576 8.731 ( 0.000 -0.282 -1.369) 1.397 8.938 ( 0.000 -4.291 -5.106) 6.670 9.225 ( 0.000 8.018 1.862) 8.232 9.327 ( 0.000 14.451 -8.739) 16.887 10.542 ( 0.000 4.222 -6.059) 7.385 10.619 ( 0.000 -8.826 -5.598) 10.451 10.782 ( 0.000 3.168 -0.235) 3.176 10.829 ( 0.000 2.493 -4.183) 4.870 11.289 ( 0.000 5.186 5.541) 7.590 11.393 ( 0.000 -8.268 3.222) 8.874 11.652 ( 0.000 2.087 -6.013) 6.365 11.773 ( 0.000 -1.452 -13.038) 13.119 11.861 ( 0.000 3.315 -3.343) 4.708 12.137 ( 0.000 0.321 -2.559) 2.579 12.262 ( 0.000 15.192 -1.922) 15.313 12.552 ( 0.000 -0.793 -3.310) 3.404 12.649 ( 0.000 1.920 11.721) 11.878 13.106 ( 0.000 -1.022 6.640) 6.719 13.893 ( 0.000 3.664 12.230) 12.767 15.021 ( 0.000 -4.963 -2.670) 5.636 15.297 ( 0.000 -24.527 12.522) 27.539 15.795 ( 0.000 -11.387 -2.522) 11.663 18.690 ( 0.000 8.170 0.114) 8.170 18.722 ( 0.000 13.493 -0.562) 13.505 18.751 ( 0.000 8.209 -0.332) 8.216 19.142 ( 0.000 37.211 -18.990) 41.777 20.386 ( 0.000 -3.420 0.803) 3.513 20.502 ( 0.000 -2.288 0.152) 2.293 21.092 ( 0.000 -0.173 -4.326) 4.330 21.257 ( 0.000 -3.625 -2.678) 4.506 22.006 ( 0.000 0.386 0.778) 0.869 22.149 ( 0.000 -0.388 -1.308) 1.365 22.583 ( 0.000 0.092 -1.456) 1.459 22.791 ( 0.000 -1.330 -4.740) 4.923 23.250 ( 0.000 -0.058 10.519) 10.519 23.466 ( 0.000 0.603 8.136) 8.159 23.659 ( 0.000 -8.965 6.492) 11.069 24.468 ( 0.000 -14.195 -5.624) 15.268 ======================= Grid point 96 (35/90) ======================= q-point: ( 0.25 0.12 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( 13.010 12.760 19.490) 26.682 1.431 ( 15.740 8.445 20.105) 26.894 1.980 ( -10.415 15.048 8.193) 20.051 2.039 ( -6.959 6.045 14.020) 16.778 2.348 ( 12.344 10.768 21.011) 26.642 2.538 ( 6.527 10.361 0.183) 12.246 2.816 ( -6.605 6.540 -3.558) 9.953 3.017 ( -1.806 -1.193 -7.864) 8.156 3.120 ( -1.459 -4.505 -3.674) 5.993 3.166 ( 7.719 2.484 -0.781) 8.146 3.273 ( -4.323 3.674 -1.708) 5.925 3.443 ( -2.020 7.924 -8.839) 12.042 3.591 ( -2.754 -4.145 0.229) 4.982 3.730 ( 5.333 -2.463 -5.207) 7.850 3.957 ( 6.136 -1.040 0.841) 6.280 4.264 ( -6.497 0.800 2.901) 7.160 4.364 ( -3.389 -1.197 2.051) 4.139 4.484 ( -6.643 -0.690 4.471) 8.037 4.581 ( -0.284 -3.772 -6.887) 7.858 4.630 ( -6.236 0.835 -5.776) 8.541 4.730 ( 2.516 -2.447 -1.467) 3.804 4.861 ( -0.576 -2.049 -5.558) 5.952 4.900 ( 2.011 3.157 -3.454) 5.093 4.985 ( -0.305 2.839 -4.733) 5.528 5.170 ( -0.153 7.028 -4.306) 8.243 5.251 ( -3.607 -1.740 0.792) 4.082 5.735 ( 2.773 1.076 -0.927) 3.115 5.873 ( -2.194 2.098 3.868) 4.917 5.994 ( 4.593 3.070 4.060) 6.856 6.155 ( -2.410 5.846 4.872) 7.982 6.207 ( -1.718 5.812 -0.217) 6.064 6.229 ( -2.507 7.193 2.568) 8.039 6.493 ( 9.463 -3.662 -5.724) 11.650 6.791 ( -1.981 -5.433 -3.945) 7.001 7.116 ( -0.200 -4.287 -5.620) 7.071 7.178 ( -0.342 -0.858 -7.678) 7.733 7.194 ( 2.139 -0.533 -0.694) 2.311 7.291 ( -0.741 4.022 -4.681) 6.216 7.773 ( 3.982 3.490 8.122) 9.695 7.911 ( 2.437 -9.167 -0.029) 9.485 8.025 ( -2.103 -6.799 -1.623) 7.300 8.160 ( -7.644 -2.418 1.602) 8.175 8.293 ( -1.441 1.716 1.197) 2.541 8.395 ( -0.748 -2.378 -1.229) 2.779 8.634 ( 5.427 -10.409 3.044) 12.127 8.736 ( 2.532 -5.404 -0.489) 5.987 8.776 ( 2.681 -6.159 -4.257) 7.953 8.919 ( -1.916 -4.409 -4.124) 6.334 9.235 ( 1.044 9.073 0.869) 9.174 9.328 ( -1.030 12.526 -7.088) 14.429 10.570 ( 2.444 4.158 -6.396) 8.010 10.677 ( 1.354 -4.305 -9.152) 10.204 10.809 ( 2.089 2.500 -0.701) 3.332 10.856 ( 3.004 -0.285 -3.306) 4.476 11.229 ( -0.272 -2.330 3.660) 4.347 11.449 ( -0.002 -10.953 1.954) 11.126 11.672 ( 1.486 1.570 -6.054) 6.428 11.738 ( -1.873 1.515 -9.426) 9.728 11.899 ( 3.962 7.696 -5.179) 10.087 12.141 ( -1.459 11.296 -3.570) 11.936 12.306 ( 3.962 5.851 -2.105) 7.373 12.509 ( -3.389 -1.380 -3.046) 4.761 12.663 ( 2.419 -0.711 11.638) 11.908 13.007 ( -8.198 -1.236 6.376) 10.459 13.979 ( 7.509 3.657 13.673) 16.023 14.619 ( -21.863 -3.288 13.323) 25.813 15.541 ( 10.354 -18.244 -0.493) 20.983 15.774 ( -1.993 -12.188 -2.659) 12.633 18.690 ( 0.035 8.195 0.123) 8.196 18.706 ( -0.789 9.994 -0.132) 10.026 18.787 ( 2.712 13.190 -1.205) 13.520 19.017 ( -8.088 29.773 -10.119) 32.469 20.404 ( 2.397 -2.337 0.814) 3.446 20.546 ( 0.148 -2.098 1.822) 2.783 21.039 ( 1.691 -2.424 -4.338) 5.249 21.311 ( -1.933 -3.410 -6.831) 7.875 22.066 ( 6.866 0.830 -0.424) 6.929 22.274 ( 9.015 -0.786 -4.991) 10.335 22.489 ( -8.029 0.192 -1.414) 8.155 22.681 ( -8.441 -1.266 -4.687) 9.738 23.253 ( 2.197 0.764 9.932) 10.201 23.389 ( -2.685 0.345 8.184) 8.620 23.948 ( 16.326 -9.377 1.311) 18.873 24.418 ( -4.792 -13.203 -4.232) 14.669 ======================= Grid point 97 (36/90) ======================= q-point: (-0.50 0.12 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( -16.065 13.719 12.704) 24.652 1.670 ( 16.065 13.719 12.704) 24.652 1.779 ( -14.824 5.641 16.792) 23.099 1.779 ( 14.824 5.641 16.792) 23.099 2.637 ( -7.390 7.911 -2.528) 11.116 2.637 ( 7.390 7.911 -2.528) 11.116 2.808 ( -14.769 3.755 1.900) 15.357 2.808 ( 14.769 3.755 1.900) 15.357 3.183 ( -5.358 -2.880 1.756) 6.331 3.183 ( 5.358 -2.880 1.756) 6.331 3.339 ( -6.809 7.818 -7.014) 12.517 3.339 ( 6.809 7.818 -7.014) 12.517 3.637 ( -7.991 -3.491 1.936) 8.932 3.637 ( 7.991 -3.491 1.936) 8.932 4.120 ( -7.533 0.168 2.128) 7.830 4.120 ( 7.533 0.168 2.128) 7.830 4.366 ( -6.335 0.461 2.016) 6.664 4.366 ( 6.335 0.461 2.016) 6.664 4.569 ( -1.089 0.078 -8.712) 8.780 4.569 ( 1.089 0.078 -8.712) 8.780 4.810 ( -4.044 -4.719 -2.269) 6.616 4.810 ( 4.044 -4.719 -2.269) 6.616 4.948 ( -2.278 3.390 -6.378) 7.573 4.948 ( 2.278 3.390 -6.378) 7.573 5.187 ( -1.813 3.393 -0.739) 3.917 5.187 ( 1.813 3.393 -0.739) 3.917 5.807 ( -3.543 1.834 0.795) 4.068 5.807 ( 3.543 1.834 0.795) 4.068 6.082 ( -3.611 3.419 3.057) 5.838 6.082 ( 3.611 3.419 3.057) 5.838 6.195 ( -0.610 7.458 2.823) 7.998 6.195 ( 0.610 7.458 2.823) 7.998 6.696 ( -7.304 -6.475 -4.513) 10.754 6.696 ( 7.304 -6.475 -4.513) 10.754 7.136 ( -2.005 -3.661 -5.091) 6.584 7.136 ( 2.005 -3.661 -5.091) 6.584 7.254 ( -2.425 4.397 -3.504) 6.123 7.254 ( 2.425 4.397 -3.504) 6.123 7.899 ( -4.888 -4.247 4.212) 7.725 7.899 ( 4.888 -4.247 4.212) 7.725 8.014 ( -3.399 -3.152 0.158) 4.638 8.014 ( 3.399 -3.152 0.158) 4.638 8.336 ( -3.718 0.303 -0.711) 3.797 8.336 ( 3.718 0.303 -0.711) 3.797 8.734 ( -3.004 -12.085 -0.472) 12.461 8.734 ( 3.004 -12.085 -0.472) 12.461 8.849 ( -4.049 -3.444 -2.728) 5.974 8.849 ( 4.049 -3.444 -2.728) 5.974 9.277 ( -2.693 10.852 -2.335) 11.422 9.277 ( 2.693 10.852 -2.335) 11.422 10.638 ( -3.312 2.742 -7.603) 8.734 10.638 ( 3.312 2.742 -7.603) 8.734 10.866 ( -2.303 0.466 -1.528) 2.803 10.866 ( 2.303 0.466 -1.528) 2.803 11.343 ( -7.939 -12.090 -0.861) 14.489 11.343 ( 7.939 -12.090 -0.861) 14.489 11.707 ( -1.459 1.660 -6.731) 7.085 11.707 ( 1.459 1.660 -6.731) 7.085 12.034 ( -7.110 14.399 -3.721) 16.484 12.034 ( 7.110 14.399 -3.721) 16.484 12.415 ( -5.086 -0.580 -2.781) 5.826 12.415 ( 5.086 -0.580 -2.781) 5.826 12.798 ( -9.283 -1.812 8.305) 12.587 12.798 ( 9.283 -1.812 8.305) 12.587 14.217 ( -14.320 2.140 16.023) 21.595 14.217 ( 14.320 2.140 16.023) 21.595 15.701 ( -4.861 -14.370 -2.788) 15.424 15.701 ( 4.861 -14.370 -2.788) 15.424 18.693 ( -0.325 8.551 0.080) 8.558 18.693 ( 0.325 8.551 0.080) 8.558 18.870 ( -5.026 19.733 -3.419) 20.648 18.870 ( 5.026 19.733 -3.419) 20.648 20.484 ( -4.263 -1.827 2.107) 5.094 20.484 ( 4.263 -1.827 2.107) 5.094 21.174 ( -8.276 -3.476 -5.982) 10.787 21.174 ( 8.276 -3.476 -5.982) 10.787 22.270 ( -10.531 0.606 -2.042) 10.744 22.270 ( 10.531 0.606 -2.042) 10.744 22.484 ( -9.318 -1.059 -5.876) 11.067 22.484 ( 9.318 -1.059 -5.876) 11.067 23.326 ( -3.388 0.938 8.243) 8.961 23.326 ( 3.388 0.938 8.243) 8.961 24.249 ( -10.667 -11.134 -1.969) 15.544 24.249 ( 10.667 -11.134 -1.969) 15.544 ======================= Grid point 100 (37/90) ======================= q-point: ( 0.00 0.25 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( 0.000 17.012 15.796) 23.215 1.490 ( 0.000 17.082 18.939) 25.505 2.230 ( 0.000 9.155 10.267) 13.756 2.504 ( 0.000 19.278 9.188) 21.355 2.613 ( 0.000 16.358 8.801) 18.576 2.621 ( 0.000 6.935 2.992) 7.553 2.898 ( 0.000 -0.573 3.587) 3.632 2.899 ( 0.000 -5.412 4.296) 6.910 3.062 ( 0.000 -2.793 2.236) 3.578 3.292 ( 0.000 7.930 -3.601) 8.710 3.419 ( 0.000 -0.535 -8.303) 8.320 3.562 ( 0.000 5.935 -0.016) 5.935 3.587 ( 0.000 8.326 -4.269) 9.356 3.769 ( 0.000 7.153 -6.705) 9.804 3.811 ( 0.000 -0.728 -2.479) 2.583 4.259 ( 0.000 -5.680 -7.281) 9.235 4.310 ( 0.000 -5.358 -7.441) 9.169 4.429 ( 0.000 -6.998 2.985) 7.608 4.617 ( 0.000 -5.366 1.845) 5.675 4.669 ( 0.000 -1.301 4.783) 4.957 4.676 ( 0.000 -1.619 -0.916) 1.860 4.815 ( 0.000 -5.059 -5.021) 7.128 4.952 ( 0.000 3.133 -1.661) 3.547 5.151 ( 0.000 7.541 -5.324) 9.230 5.227 ( 0.000 1.616 1.853) 2.459 5.327 ( 0.000 9.224 -9.059) 12.928 5.718 ( 0.000 2.742 -4.150) 4.974 5.959 ( 0.000 3.596 1.076) 3.754 5.992 ( 0.000 1.029 2.869) 3.048 6.310 ( 0.000 6.601 0.424) 6.615 6.339 ( 0.000 2.847 -2.865) 4.040 6.367 ( 0.000 2.981 -4.555) 5.444 6.453 ( 0.000 11.094 5.804) 12.521 6.777 ( 0.000 0.542 -3.832) 3.870 6.967 ( 0.000 -8.100 2.433) 8.457 7.052 ( 0.000 -4.968 -7.548) 9.037 7.293 ( 0.000 6.080 -6.769) 9.099 7.345 ( 0.000 0.879 -2.996) 3.122 7.622 ( 0.000 -13.114 2.408) 13.333 7.780 ( 0.000 -10.555 -1.266) 10.631 7.944 ( 0.000 3.714 5.132) 6.335 8.211 ( 0.000 -3.921 -0.920) 4.028 8.216 ( 0.000 -6.900 -1.565) 7.075 8.363 ( 0.000 -1.749 3.467) 3.883 8.377 ( 0.000 -8.250 4.564) 9.428 8.618 ( 0.000 -0.974 -2.550) 2.730 8.744 ( 0.000 0.774 -0.665) 1.020 8.811 ( 0.000 -8.324 -2.002) 8.561 9.418 ( 0.000 11.442 0.354) 11.447 9.568 ( 0.000 10.743 -9.843) 14.571 10.428 ( 0.000 -10.423 -6.041) 12.047 10.563 ( 0.000 -4.370 -7.613) 8.778 10.875 ( 0.000 2.458 -3.929) 4.635 10.885 ( 0.000 7.308 -1.733) 7.511 11.186 ( 0.000 -9.646 3.172) 10.155 11.369 ( 0.000 1.465 1.518) 2.109 11.723 ( 0.000 4.567 -5.519) 7.163 11.766 ( 0.000 1.685 -6.539) 6.753 11.965 ( 0.000 5.786 -2.353) 6.246 12.145 ( 0.000 0.556 -3.316) 3.362 12.411 ( 0.000 -0.746 1.786) 1.935 12.504 ( 0.000 -4.506 -4.055) 6.062 12.818 ( 0.000 14.158 0.822) 14.182 13.097 ( 0.000 0.534 7.872) 7.890 14.003 ( 0.000 7.624 10.644) 13.093 14.883 ( 0.000 -8.935 -1.243) 9.021 14.913 ( 0.000 -12.864 17.204) 21.482 15.514 ( 0.000 -16.237 -0.174) 16.238 18.913 ( 0.000 14.100 -0.612) 14.114 18.965 ( 0.000 12.831 -0.073) 12.831 19.039 ( 0.000 17.139 -1.960) 17.251 19.739 ( 0.000 18.655 -24.726) 30.974 20.324 ( 0.000 -0.778 -2.241) 2.372 20.444 ( 0.000 -3.242 -0.431) 3.271 21.083 ( 0.000 -0.790 -5.601) 5.657 21.159 ( 0.000 -6.058 -3.072) 6.792 22.019 ( 0.000 0.998 0.796) 1.276 22.137 ( 0.000 -0.914 -0.943) 1.314 22.588 ( 0.000 0.529 -1.257) 1.364 22.752 ( 0.000 -2.570 -4.111) 4.848 23.247 ( 0.000 -0.244 11.229) 11.231 23.466 ( 0.000 -9.338 13.625) 16.518 23.494 ( 0.000 2.514 6.626) 7.086 24.176 ( 0.000 -14.573 -1.665) 14.668 ======================= Grid point 101 (38/90) ======================= q-point: ( 0.25 0.25 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( 11.846 14.853 16.594) 25.225 1.660 ( 11.844 14.371 14.992) 23.908 2.161 ( -7.464 8.779 9.685) 15.053 2.324 ( -14.147 15.257 7.348) 22.066 2.620 ( 6.885 9.819 8.085) 14.463 2.748 ( 4.348 7.003 1.073) 8.313 2.892 ( 1.935 5.635 3.178) 6.753 2.956 ( -1.277 -7.243 -0.978) 7.419 3.052 ( 0.080 -1.292 2.950) 3.222 3.180 ( -5.237 1.955 0.179) 5.593 3.429 ( 1.812 8.111 -2.155) 8.586 3.539 ( 0.755 7.030 -4.243) 8.246 3.673 ( -3.995 8.741 -6.156) 11.414 3.736 ( 2.741 5.310 -5.945) 8.429 3.901 ( 7.521 -4.235 1.034) 8.693 4.238 ( -5.016 -4.310 -2.252) 6.986 4.335 ( 1.869 -1.765 -3.435) 4.290 4.474 ( 3.558 -5.931 -3.877) 7.928 4.494 ( -5.951 2.492 5.571) 8.524 4.596 ( -3.710 -4.528 -2.302) 6.290 4.686 ( -0.309 -2.537 0.540) 2.613 4.782 ( -3.006 -4.736 -2.918) 6.323 4.973 ( 1.076 2.811 -1.497) 3.361 5.102 ( -4.098 2.282 -2.840) 5.484 5.250 ( 2.127 6.850 -1.954) 7.434 5.320 ( -0.685 8.938 -7.707) 11.821 5.760 ( 2.992 1.801 -4.217) 5.475 5.888 ( -3.005 -0.178 -0.841) 3.125 6.097 ( 5.071 5.261 2.954) 7.882 6.273 ( -2.857 5.279 -1.336) 6.150 6.361 ( 0.752 9.766 -0.478) 9.806 6.404 ( 0.600 4.644 0.439) 4.703 6.443 ( 3.196 4.120 1.819) 5.523 6.714 ( -4.664 -1.093 -3.525) 5.947 6.989 ( 1.421 -7.345 0.461) 7.495 7.044 ( -0.611 -6.286 -5.621) 8.454 7.295 ( 0.526 2.589 -4.898) 5.565 7.351 ( -0.406 1.726 -2.643) 3.183 7.668 ( 3.693 -12.583 -0.422) 13.121 7.768 ( -0.982 -10.378 -2.202) 10.655 7.938 ( -0.019 1.846 4.342) 4.718 8.109 ( -6.210 -1.684 1.783) 6.677 8.263 ( 3.601 -3.152 -0.237) 4.792 8.369 ( 1.508 -2.830 2.173) 3.874 8.462 ( 3.436 -6.161 2.309) 7.423 8.587 ( -2.611 -4.798 -2.141) 5.867 8.743 ( 0.193 -1.099 -0.496) 1.221 8.796 ( -1.278 -7.774 -1.583) 8.035 9.436 ( 1.613 11.402 -0.701) 11.537 9.547 ( -2.036 10.586 -7.613) 13.197 10.509 ( 5.707 -11.495 -8.269) 15.267 10.582 ( 1.383 -5.430 -8.064) 9.820 10.882 ( 0.651 2.745 -3.292) 4.335 10.889 ( 0.248 5.586 -2.448) 6.104 11.161 ( -1.312 -6.120 2.431) 6.714 11.295 ( -5.447 -2.516 0.906) 6.068 11.740 ( 1.247 5.155 -5.202) 7.429 11.773 ( 0.341 2.996 -6.599) 7.256 12.070 ( 8.628 8.283 -0.699) 11.981 12.213 ( 4.959 -0.222 -2.779) 5.689 12.430 ( -0.116 -2.788 -3.818) 4.729 12.494 ( 0.035 1.162 -2.551) 2.804 12.705 ( -7.373 7.837 6.333) 12.486 12.989 ( -9.076 -0.280 6.883) 11.395 14.091 ( 7.339 7.882 11.506) 15.760 14.572 ( -14.025 -0.454 12.421) 18.740 15.185 ( 10.877 -17.067 2.913) 20.447 15.480 ( -3.114 -16.734 -0.141) 17.022 18.911 ( -0.089 13.872 -0.458) 13.880 18.935 ( -1.483 13.299 -0.083) 13.382 19.115 ( 5.763 17.501 -3.018) 18.671 19.548 ( -13.115 19.897 -15.691) 28.533 20.360 ( 3.143 -1.034 -0.935) 3.439 20.501 ( 1.316 -1.674 0.244) 2.144 20.968 ( -1.048 -4.820 -3.329) 5.951 21.214 ( -2.678 -6.334 -7.211) 9.964 22.090 ( 7.002 1.597 -0.717) 7.217 22.251 ( 8.517 -1.523 -4.126) 9.586 22.497 ( -7.724 0.673 -1.462) 7.890 22.646 ( -8.016 -2.213 -4.090) 9.268 23.274 ( 3.364 1.348 10.444) 11.054 23.405 ( -1.489 1.396 7.726) 7.991 23.735 ( 13.247 -10.714 7.821) 18.747 24.132 ( -4.081 -14.688 -0.235) 15.246 ======================= Grid point 102 (39/90) ======================= q-point: (-0.50 0.25 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( -11.409 11.500 12.853) 20.679 1.914 ( 11.409 11.500 12.853) 20.679 1.975 ( -14.181 12.837 11.929) 22.543 1.975 ( 14.181 12.837 11.929) 22.543 2.801 ( -5.402 -2.279 -1.739) 6.115 2.801 ( 5.402 -2.279 -1.739) 6.115 2.866 ( -1.103 8.052 -1.210) 8.216 2.866 ( 1.103 8.052 -1.210) 8.216 3.111 ( -4.005 -2.402 3.754) 5.992 3.111 ( 4.005 -2.402 3.754) 5.992 3.506 ( -4.590 9.859 -1.653) 11.000 3.506 ( 4.590 9.859 -1.653) 11.000 3.683 ( -6.755 7.818 -2.902) 10.732 3.683 ( 6.755 7.818 -2.902) 10.732 4.076 ( -7.880 -3.579 1.202) 8.738 4.076 ( 7.880 -3.579 1.202) 8.738 4.395 ( -4.491 1.059 0.734) 4.672 4.395 ( 4.491 1.059 0.734) 4.672 4.547 ( -1.376 -1.756 -5.306) 5.756 4.547 ( 1.376 -1.756 -5.306) 5.756 4.706 ( -2.926 -5.383 -0.628) 6.159 4.706 ( 2.926 -5.383 -0.628) 6.159 5.012 ( -3.123 1.756 -1.515) 3.891 5.012 ( 3.123 1.756 -1.515) 3.891 5.296 ( -1.619 8.361 -5.316) 10.039 5.296 ( 1.619 8.361 -5.316) 10.039 5.826 ( -2.854 0.349 -3.083) 4.216 5.826 ( 2.854 0.349 -3.083) 4.216 6.193 ( -4.022 6.249 0.725) 7.467 6.193 ( 4.022 6.249 0.725) 7.467 6.379 ( -1.060 10.715 2.815) 11.129 6.379 ( 1.060 10.715 2.815) 11.129 6.587 ( -6.901 -3.238 -3.057) 8.213 6.587 ( 6.901 -3.238 -3.057) 8.213 7.021 ( -1.454 -6.972 -2.867) 7.678 7.021 ( 1.454 -6.972 -2.867) 7.678 7.322 ( -1.715 1.156 -2.548) 3.282 7.322 ( 1.715 1.156 -2.548) 3.282 7.738 ( -2.066 -11.746 -3.281) 12.370 7.738 ( 2.066 -11.746 -3.281) 12.370 7.983 ( -4.501 0.308 3.880) 5.950 7.983 ( 4.501 0.308 3.880) 5.950 8.355 ( -3.518 1.508 0.581) 3.871 8.355 ( 3.518 1.508 0.581) 3.871 8.523 ( -2.917 -9.084 0.151) 9.543 8.523 ( 2.917 -9.084 0.151) 9.543 8.763 ( -1.501 -5.148 -0.852) 5.430 8.763 ( 1.501 -5.148 -0.852) 5.430 9.488 ( -2.918 11.085 -3.610) 12.018 9.488 ( 2.918 11.085 -3.610) 12.018 10.595 ( -1.212 -9.034 -9.222) 12.967 10.595 ( 1.212 -9.034 -9.222) 12.967 10.893 ( -0.114 3.087 -2.893) 4.232 10.893 ( 0.114 3.087 -2.893) 4.232 11.182 ( -3.742 -4.268 1.136) 5.789 11.182 ( 3.742 -4.268 1.136) 5.789 11.767 ( -0.931 4.881 -5.832) 7.662 11.767 ( 0.931 4.881 -5.832) 7.662 12.269 ( -4.687 6.688 0.334) 8.174 12.269 ( 4.687 6.688 0.334) 8.174 12.405 ( -2.647 1.600 -5.647) 6.439 12.405 ( 2.647 1.600 -5.647) 6.439 12.755 ( -10.273 -2.302 8.133) 13.303 12.755 ( 10.273 -2.302 8.133) 13.303 14.297 ( -11.000 6.274 13.003) 18.150 14.297 ( 11.000 6.274 13.003) 18.150 15.375 ( -6.555 -17.694 0.373) 18.873 15.375 ( 6.555 -17.694 0.373) 18.873 18.914 ( -0.458 13.493 -0.182) 13.502 18.914 ( 0.458 13.493 -0.182) 13.502 19.285 ( -9.913 19.303 -6.877) 22.763 19.285 ( 9.913 19.303 -6.877) 22.763 20.449 ( -4.424 -0.839 1.177) 4.654 20.449 ( 4.424 -0.839 1.177) 4.654 21.072 ( -8.002 -6.961 -5.908) 12.140 21.072 ( 8.002 -6.961 -5.908) 12.140 22.289 ( -10.090 1.288 -2.069) 10.380 22.289 ( 10.090 1.288 -2.069) 10.380 22.454 ( -9.210 -1.923 -5.359) 10.828 22.454 ( 9.210 -1.923 -5.359) 10.828 23.358 ( -3.225 2.382 8.193) 9.121 23.358 ( 3.225 2.382 8.193) 9.121 23.988 ( -9.135 -14.138 3.213) 17.136 23.988 ( 9.135 -14.138 3.213) 17.136 ======================= Grid point 105 (40/90) ======================= q-point: ( 0.00 0.38 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( 0.000 17.990 9.606) 20.394 1.844 ( 0.000 18.653 13.155) 22.825 2.386 ( 0.000 3.755 6.225) 7.270 2.552 ( 0.000 -12.767 4.468) 13.526 2.564 ( 0.000 -4.985 3.324) 5.991 2.871 ( 0.000 11.936 0.810) 11.964 2.909 ( 0.000 1.345 8.700) 8.804 2.917 ( 0.000 -6.799 2.985) 7.425 3.196 ( 0.000 20.874 7.086) 22.044 3.360 ( 0.000 1.877 4.292) 4.684 3.450 ( 0.000 2.259 -0.864) 2.418 3.618 ( 0.000 -5.572 -0.249) 5.577 3.794 ( 0.000 14.361 -0.340) 14.365 3.836 ( 0.000 8.972 -8.695) 12.494 4.016 ( 0.000 9.797 -7.706) 12.465 4.104 ( 0.000 -8.331 -4.205) 9.332 4.198 ( 0.000 -3.922 -6.095) 7.248 4.305 ( 0.000 -6.245 -1.842) 6.511 4.464 ( 0.000 -10.042 0.689) 10.065 4.582 ( 0.000 -9.121 -1.767) 9.291 4.707 ( 0.000 5.149 4.989) 7.170 4.774 ( 0.000 2.799 -0.482) 2.840 4.946 ( 0.000 -3.573 -0.499) 3.607 5.049 ( 0.000 -8.086 3.980) 9.013 5.503 ( 0.000 15.058 -8.626) 17.354 5.535 ( 0.000 10.770 -9.063) 14.075 5.790 ( 0.000 3.425 -7.571) 8.310 5.939 ( 0.000 -5.388 -3.579) 6.469 6.067 ( 0.000 7.989 0.066) 7.989 6.332 ( 0.000 -1.848 0.777) 2.004 6.437 ( 0.000 5.447 -4.391) 6.996 6.453 ( 0.000 2.735 -8.960) 9.368 6.640 ( 0.000 7.141 3.315) 7.873 6.852 ( 0.000 6.497 -0.557) 6.521 6.898 ( 0.000 1.653 4.121) 4.441 6.936 ( 0.000 -6.779 -4.103) 7.924 7.277 ( 0.000 -9.119 -2.391) 9.428 7.306 ( 0.000 -6.512 -4.960) 8.185 7.430 ( 0.000 -3.437 2.412) 4.199 7.550 ( 0.000 -8.778 -3.560) 9.473 8.040 ( 0.000 4.153 4.326) 5.997 8.115 ( 0.000 -2.912 -0.683) 2.991 8.208 ( 0.000 -0.175 4.108) 4.112 8.243 ( 0.000 -0.547 1.423) 1.524 8.275 ( 0.000 -6.177 1.728) 6.414 8.599 ( 0.000 -7.933 1.015) 7.998 8.674 ( 0.000 0.471 -0.397) 0.615 8.749 ( 0.000 -0.501 0.106) 0.512 9.673 ( 0.000 14.597 -1.565) 14.680 9.770 ( 0.000 10.207 -9.130) 13.695 10.219 ( 0.000 -10.778 -6.621) 12.650 10.354 ( 0.000 -15.489 -5.639) 16.484 10.929 ( 0.000 3.019 -3.361) 4.517 11.036 ( 0.000 4.296 -0.488) 4.324 11.069 ( 0.000 0.139 -1.989) 1.994 11.329 ( 0.000 -4.872 -3.529) 6.016 11.825 ( 0.000 5.353 -4.854) 7.227 11.839 ( 0.000 4.674 0.856) 4.751 12.071 ( 0.000 5.309 0.339) 5.320 12.161 ( 0.000 1.154 -4.420) 4.568 12.337 ( 0.000 -5.260 2.767) 5.943 12.379 ( 0.000 -7.777 -2.176) 8.076 13.054 ( 0.000 8.301 -0.815) 8.341 13.124 ( 0.000 1.705 6.808) 7.019 14.192 ( 0.000 11.560 7.257) 13.649 14.680 ( 0.000 -11.602 0.796) 11.629 14.801 ( 0.000 0.963 12.587) 12.624 15.193 ( 0.000 -15.828 2.560) 16.034 19.215 ( 0.000 11.753 -0.112) 11.753 19.218 ( 0.000 16.371 -1.852) 16.476 19.322 ( 0.000 10.242 -1.948) 10.426 19.800 ( 0.000 -8.576 -9.378) 12.708 20.398 ( 0.000 -0.717 -2.139) 2.256 20.400 ( 0.000 5.017 -11.114) 12.194 21.049 ( 0.000 -4.119 -5.190) 6.626 21.058 ( 0.000 -1.764 -7.443) 7.650 22.045 ( 0.000 1.616 0.535) 1.703 22.113 ( 0.000 -1.492 -0.472) 1.565 22.606 ( 0.000 1.361 -1.200) 1.815 22.696 ( 0.000 -2.997 -2.754) 4.070 23.244 ( 0.000 0.135 12.254) 12.255 23.324 ( 0.000 -5.066 14.995) 15.828 23.571 ( 0.000 5.477 4.637) 7.176 23.914 ( 0.000 -11.990 0.350) 11.995 ======================= Grid point 106 (41/90) ======================= q-point: ( 0.25 0.38 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( 8.611 16.446 11.643) 21.913 1.969 ( 8.885 16.607 9.572) 21.128 2.358 ( -4.485 10.253 7.099) 13.252 2.531 ( -5.391 -1.990 4.126) 7.074 2.545 ( -1.622 -5.542 3.219) 6.612 2.692 ( -3.284 -6.518 4.641) 8.649 2.878 ( -8.475 -2.513 -0.147) 8.841 2.885 ( -3.206 -10.933 7.126) 13.439 3.220 ( 2.497 17.358 3.763) 17.936 3.320 ( 0.776 11.411 -0.540) 11.450 3.576 ( 5.455 4.537 -0.165) 7.097 3.653 ( 2.374 -2.577 0.571) 3.550 3.818 ( 1.463 10.788 0.048) 10.887 3.882 ( 5.001 5.363 -4.356) 8.529 3.940 ( -4.366 11.025 -7.072) 13.807 4.117 ( 0.939 -5.785 -4.895) 7.636 4.291 ( 5.730 -4.997 -4.684) 8.930 4.360 ( 1.863 -2.880 -3.830) 5.141 4.430 ( -1.183 -9.897 0.255) 9.971 4.561 ( -2.534 -7.719 -1.218) 8.216 4.650 ( -2.169 8.018 5.554) 9.992 4.760 ( -2.067 2.627 0.827) 3.444 4.956 ( 0.504 -4.256 0.996) 4.400 5.023 ( -2.148 -7.200 4.025) 8.524 5.503 ( 0.059 13.878 -8.321) 16.181 5.528 ( -0.640 11.443 -8.241) 14.116 5.801 ( 0.743 1.518 -6.666) 6.877 5.860 ( -3.586 -3.127 -3.477) 5.893 6.175 ( 6.108 3.939 -2.699) 7.753 6.361 ( -1.233 4.313 -4.975) 6.699 6.393 ( 2.416 -1.919 -2.563) 4.011 6.525 ( 3.165 3.628 -3.807) 6.138 6.619 ( -1.661 9.347 2.931) 9.936 6.780 ( -4.934 7.000 -0.268) 8.569 6.905 ( -0.019 -0.375 2.252) 2.283 6.924 ( -0.809 -5.221 -2.299) 5.762 7.254 ( 0.005 -5.966 -1.628) 6.184 7.351 ( -0.163 -2.735 -3.076) 4.120 7.408 ( 0.810 -11.902 -0.680) 11.949 7.539 ( -1.472 -10.473 -4.064) 11.330 8.001 ( -0.806 3.937 3.231) 5.157 8.111 ( -3.639 1.668 2.184) 4.560 8.227 ( 4.145 -3.742 2.076) 5.957 8.280 ( 3.464 -2.957 1.721) 4.869 8.348 ( 3.816 -3.180 0.996) 5.066 8.594 ( -3.430 1.826 0.529) 3.921 8.625 ( -0.876 -7.660 0.450) 7.723 8.719 ( -2.491 -1.841 0.332) 3.116 9.687 ( 1.311 14.352 -2.585) 14.642 9.762 ( -0.961 11.636 -7.456) 13.853 10.263 ( 3.456 -13.140 -7.167) 15.362 10.356 ( -0.062 -15.820 -6.145) 16.972 10.939 ( 0.966 3.188 -3.538) 4.860 11.015 ( -1.811 6.134 -2.684) 6.936 11.071 ( 0.766 -2.690 -0.780) 2.904 11.245 ( -6.074 -3.820 -2.846) 7.719 11.862 ( 1.983 5.969 -1.331) 6.430 11.870 ( 2.755 7.096 -5.012) 9.114 12.166 ( 4.367 -1.023 1.594) 4.761 12.232 ( 8.016 5.290 -1.227) 9.682 12.314 ( -1.920 -7.558 -5.323) 9.442 12.442 ( 7.305 -4.699 4.184) 9.641 12.884 ( -13.462 7.498 1.726) 15.506 12.993 ( -11.024 0.246 5.510) 12.327 14.287 ( 7.439 11.884 7.870) 16.078 14.618 ( -5.198 4.401 7.398) 10.056 14.883 ( 6.358 -13.071 5.336) 15.483 15.151 ( -3.789 -16.304 2.468) 16.919 19.198 ( -0.712 13.134 -0.508) 13.163 19.211 ( -0.791 15.660 -1.319) 15.735 19.383 ( 4.895 8.056 -2.877) 9.856 19.700 ( -7.679 -3.518 -8.360) 11.885 20.395 ( 2.915 4.005 -3.676) 6.169 20.518 ( 4.905 2.954 -5.941) 8.251 20.871 ( -6.493 -3.546 -2.472) 7.800 21.070 ( -5.042 -8.188 -7.535) 12.216 22.127 ( 7.161 2.141 -1.241) 7.577 22.215 ( 7.905 -2.080 -3.041) 8.721 22.517 ( -7.373 1.406 -1.659) 7.687 22.599 ( -7.487 -2.508 -3.111) 8.487 23.307 ( 5.443 2.146 11.143) 12.586 23.423 ( 4.969 -1.036 9.579) 10.841 23.594 ( 3.093 -1.750 7.603) 8.393 23.868 ( -4.258 -12.047 2.085) 12.946 ======================= Grid point 107 (42/90) ======================= q-point: (-0.50 0.38 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( -8.997 14.152 10.027) 19.539 2.168 ( 8.997 14.152 10.027) 19.539 2.221 ( -12.268 12.595 7.833) 19.248 2.221 ( 12.268 12.595 7.833) 19.248 2.659 ( -8.743 -9.928 -0.171) 13.230 2.659 ( 8.743 -9.928 -0.171) 13.230 2.774 ( -5.924 -13.114 4.737) 15.149 2.774 ( 5.924 -13.114 4.737) 15.149 3.295 ( -3.148 15.044 -1.628) 15.456 3.295 ( 3.148 15.044 -1.628) 15.456 3.668 ( -1.956 1.692 1.055) 2.793 3.668 ( 1.956 1.692 1.055) 2.793 3.857 ( -2.355 10.421 -2.184) 10.905 3.857 ( 2.355 10.421 -2.184) 10.905 4.046 ( -7.489 1.942 -4.911) 9.164 4.046 ( 7.489 1.942 -4.911) 9.164 4.370 ( -2.298 -3.366 -0.991) 4.194 4.370 ( 2.298 -3.366 -0.991) 4.194 4.466 ( -4.644 -7.447 -2.081) 9.019 4.466 ( 4.644 -7.447 -2.081) 9.019 4.686 ( -3.938 4.798 2.739) 6.784 4.686 ( 3.938 4.798 2.739) 6.784 4.975 ( -1.617 -5.342 3.341) 6.505 4.975 ( 1.617 -5.342 3.341) 6.505 5.511 ( -0.706 12.288 -7.627) 14.480 5.511 ( 0.706 12.288 -7.627) 14.480 5.816 ( -0.868 -2.047 -5.338) 5.783 5.816 ( 0.868 -2.047 -5.338) 5.783 6.291 ( -4.337 4.437 -4.846) 7.873 6.291 ( 4.337 4.437 -4.846) 7.873 6.493 ( -4.914 -0.947 -1.936) 5.366 6.493 ( 4.914 -0.947 -1.936) 5.366 6.666 ( -5.156 10.587 0.793) 11.802 6.666 ( 5.156 10.587 0.793) 11.802 6.908 ( -0.521 -3.367 -0.074) 3.408 6.908 ( 0.521 -3.367 -0.074) 3.408 7.291 ( -3.043 -3.470 -0.139) 4.618 7.291 ( 3.043 -3.470 -0.139) 4.618 7.479 ( -3.666 -13.462 -4.843) 14.769 7.479 ( 3.666 -13.462 -4.843) 14.769 8.029 ( -3.069 4.407 3.027) 6.165 8.029 ( 3.069 4.407 3.027) 6.165 8.305 ( -2.101 -7.709 0.965) 8.048 8.305 ( 2.101 -7.709 0.965) 8.048 8.461 ( -6.548 3.456 1.142) 7.492 8.461 ( 6.548 3.456 1.142) 7.492 8.658 ( -2.552 -5.378 0.551) 5.978 8.658 ( 2.552 -5.378 0.551) 5.978 9.727 ( -2.029 13.567 -4.733) 14.511 9.727 ( 2.029 13.567 -4.733) 14.511 10.334 ( -2.268 -15.815 -7.108) 17.486 10.334 ( 2.268 -15.815 -7.108) 17.486 10.971 ( -1.882 4.381 -3.672) 6.018 10.971 ( 1.882 4.381 -3.672) 6.018 11.123 ( -4.183 -2.880 -1.569) 5.315 11.123 ( 4.183 -2.880 -1.569) 5.315 11.899 ( -0.590 8.319 -3.665) 9.110 11.899 ( 0.590 8.319 -3.665) 9.110 12.232 ( -3.170 -6.625 -1.596) 7.515 12.232 ( 3.170 -6.625 -1.596) 7.515 12.527 ( -14.071 7.243 -0.290) 15.829 12.527 ( 14.071 7.243 -0.290) 15.829 12.709 ( -12.201 -2.637 6.442) 14.047 12.709 ( 12.201 -2.637 6.442) 14.047 14.467 ( -8.128 11.095 8.858) 16.359 14.467 ( 8.128 11.095 8.858) 16.359 15.034 ( -6.575 -16.888 2.639) 18.314 15.034 ( 6.575 -16.888 2.639) 18.314 19.195 ( -0.438 14.478 -0.845) 14.509 19.195 ( 0.438 14.478 -0.845) 14.509 19.523 ( -7.629 3.552 -5.411) 10.005 19.523 ( 7.629 3.552 -5.411) 10.005 20.498 ( -5.325 6.644 -1.782) 8.699 20.498 ( 5.325 6.644 -1.782) 8.699 20.904 ( -7.775 -10.091 -5.639) 13.931 20.904 ( 7.775 -10.091 -5.639) 13.931 22.321 ( -9.608 1.951 -2.423) 10.099 22.321 ( 9.608 1.951 -2.423) 10.099 22.411 ( -9.155 -2.399 -4.395) 10.435 22.411 ( 9.155 -2.399 -4.395) 10.435 23.425 ( -3.918 4.619 8.093) 10.108 23.425 ( 3.918 4.619 8.093) 10.108 23.733 ( -7.582 -11.530 6.502) 15.255 23.733 ( 7.582 -11.530 6.502) 15.255 ======================= Grid point 110 (43/90) ======================= q-point: ( 0.00 -0.50 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( 0.000 -2.764 6.672) 7.222 2.127 ( 0.000 2.764 6.672) 7.222 2.288 ( 0.000 -5.000 6.534) 8.227 2.288 ( 0.000 5.000 6.534) 8.227 2.684 ( 0.000 -11.463 6.899) 13.379 2.684 ( 0.000 11.463 6.899) 13.379 2.984 ( 0.000 -0.110 1.021) 1.027 2.984 ( 0.000 0.110 1.021) 1.027 3.422 ( 0.000 -4.501 9.372) 10.396 3.422 ( 0.000 4.501 9.372) 10.396 3.507 ( 0.000 -8.595 -3.595) 9.317 3.507 ( 0.000 8.595 -3.595) 9.317 3.951 ( 0.000 -1.299 -8.205) 8.308 3.951 ( 0.000 1.299 -8.205) 8.308 4.047 ( 0.000 -1.938 0.535) 2.010 4.047 ( 0.000 1.938 0.535) 2.010 4.236 ( 0.000 -2.248 -1.698) 2.817 4.236 ( 0.000 2.248 -1.698) 2.817 4.372 ( 0.000 -9.520 -3.764) 10.237 4.372 ( 0.000 9.520 -3.764) 10.237 4.833 ( 0.000 -6.329 1.409) 6.484 4.833 ( 0.000 6.329 1.409) 6.484 4.891 ( 0.000 -7.136 3.316) 7.869 4.891 ( 0.000 7.136 3.316) 7.869 5.677 ( 0.000 -0.226 -9.651) 9.654 5.677 ( 0.000 0.226 -9.651) 9.654 5.834 ( 0.000 -3.226 -6.522) 7.276 5.834 ( 0.000 3.226 -6.522) 7.276 6.243 ( 0.000 -7.954 1.807) 8.157 6.243 ( 0.000 7.954 1.807) 8.157 6.481 ( 0.000 -0.553 -11.445) 11.459 6.481 ( 0.000 0.553 -11.445) 11.459 6.780 ( 0.000 -8.184 -0.163) 8.185 6.780 ( 0.000 8.184 -0.163) 8.185 6.957 ( 0.000 -0.077 3.820) 3.820 6.957 ( 0.000 0.077 3.820) 3.820 7.158 ( 0.000 -2.147 -2.710) 3.457 7.158 ( 0.000 2.147 -2.710) 3.457 7.440 ( 0.000 -3.438 -0.680) 3.505 7.440 ( 0.000 3.438 -0.680) 3.505 8.100 ( 0.000 -0.111 0.770) 0.778 8.100 ( 0.000 0.111 0.770) 0.778 8.165 ( 0.000 -3.103 2.451) 3.954 8.165 ( 0.000 3.103 2.451) 3.954 8.398 ( 0.000 -10.448 2.982) 10.865 8.398 ( 0.000 10.448 2.982) 10.865 8.721 ( 0.000 -2.292 0.363) 2.321 8.721 ( 0.000 2.292 0.363) 2.321 9.931 ( 0.000 -1.723 -7.020) 7.228 9.931 ( 0.000 1.723 -7.020) 7.228 10.065 ( 0.000 -4.879 -4.197) 6.436 10.065 ( 0.000 4.879 -4.197) 6.436 10.990 ( 0.000 -3.150 -1.692) 3.576 10.990 ( 0.000 3.150 -1.692) 3.576 11.205 ( 0.000 -7.362 -4.514) 8.635 11.205 ( 0.000 7.362 -4.514) 8.635 11.892 ( 0.000 -0.404 -0.471) 0.620 11.892 ( 0.000 0.404 -0.471) 0.620 12.173 ( 0.000 -3.002 -2.747) 4.069 12.173 ( 0.000 3.002 -2.747) 4.069 12.259 ( 0.000 -0.372 1.310) 1.361 12.259 ( 0.000 0.372 1.310) 1.361 13.138 ( 0.000 -0.980 3.526) 3.660 13.138 ( 0.000 0.980 3.526) 3.660 14.437 ( 0.000 -12.910 3.464) 13.367 14.437 ( 0.000 12.910 3.464) 13.367 14.924 ( 0.000 -10.852 6.726) 12.768 14.924 ( 0.000 10.852 6.726) 12.768 19.376 ( 0.000 -3.223 -0.966) 3.365 19.376 ( 0.000 3.223 -0.966) 3.365 19.549 ( 0.000 -15.316 -3.687) 15.754 19.549 ( 0.000 15.316 -3.687) 15.754 20.421 ( 0.000 -1.969 -6.357) 6.655 20.421 ( 0.000 1.969 -6.357) 6.655 21.024 ( 0.000 -1.119 -8.143) 8.220 21.024 ( 0.000 1.119 -8.143) 8.220 22.080 ( 0.000 -1.815 0.048) 1.815 22.080 ( 0.000 1.815 0.048) 1.815 22.642 ( 0.000 -2.362 -1.616) 2.862 22.642 ( 0.000 2.362 -1.616) 2.862 23.260 ( 0.000 -1.760 13.635) 13.748 23.260 ( 0.000 1.760 13.635) 13.748 23.711 ( 0.000 -8.792 2.495) 9.140 23.711 ( 0.000 8.792 2.495) 9.140 ======================= Grid point 112 (44/90) ======================= q-point: ( 0.25 -0.50 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.207 ( 7.326 -7.765 6.029) 12.260 2.207 ( 7.326 7.765 6.029) 12.260 2.337 ( 4.543 -8.804 6.005) 11.585 2.337 ( 4.543 8.804 6.005) 11.585 2.625 ( -5.262 -11.912 6.264) 14.450 2.625 ( -5.262 11.912 6.264) 14.450 2.784 ( -14.518 -5.837 3.607) 16.058 2.784 ( -14.518 5.837 3.606) 16.058 3.494 ( 3.962 -8.205 5.088) 10.436 3.494 ( 3.962 8.205 5.088) 10.436 3.541 ( 2.155 -5.589 -4.075) 7.245 3.541 ( 2.155 5.589 -4.075) 7.245 3.984 ( 2.902 -1.429 -5.001) 5.955 3.984 ( 2.902 1.429 -5.001) 5.955 4.074 ( 1.072 -2.641 -2.465) 3.768 4.074 ( 1.072 2.641 -2.465) 3.768 4.231 ( 1.701 -6.122 -0.488) 6.372 4.231 ( 1.701 6.122 -0.488) 6.372 4.398 ( 0.407 -6.499 -3.962) 7.622 4.398 ( 0.407 6.499 -3.962) 7.622 4.826 ( -0.489 -7.356 3.368) 8.105 4.826 ( -0.489 7.356 3.368) 8.105 4.869 ( -1.739 -6.543 3.692) 7.712 4.869 ( -1.739 6.543 3.692) 7.712 5.681 ( 0.670 -1.960 -8.444) 8.695 5.681 ( 0.670 1.960 -8.444) 8.695 5.794 ( -3.241 -0.300 -5.909) 6.747 5.794 ( -3.241 0.300 -5.909) 6.747 6.288 ( 4.064 -7.046 -2.678) 8.564 6.288 ( 4.064 7.046 -2.678) 8.564 6.481 ( -1.064 -6.193 -7.507) 9.789 6.481 ( -1.064 6.193 -7.507) 9.789 6.792 ( 1.331 -7.203 -0.822) 7.371 6.792 ( 1.331 7.203 -0.822) 7.371 6.921 ( -2.886 -2.986 3.076) 5.168 6.921 ( -2.886 2.986 3.076) 5.168 7.187 ( 2.789 -3.691 -2.413) 5.217 7.187 ( 2.789 3.691 -2.413) 5.217 7.389 ( -4.232 -4.384 -1.036) 6.181 7.389 ( -4.232 4.384 -1.036) 6.181 8.099 ( 1.069 -5.857 1.795) 6.218 8.099 ( 1.069 5.857 1.795) 6.218 8.186 ( 0.023 -4.604 1.998) 5.019 8.186 ( 0.023 4.604 1.998) 5.019 8.440 ( 3.940 -8.465 2.063) 9.563 8.440 ( 3.940 8.465 2.063) 9.563 8.670 ( -4.307 -3.218 0.628) 5.413 8.670 ( -4.307 3.218 0.628) 5.413 9.959 ( 2.339 -5.325 -6.626) 8.816 9.959 ( 2.339 5.325 -6.626) 8.816 10.057 ( -0.964 -6.235 -4.732) 7.887 10.057 ( -0.964 6.235 -4.732) 7.887 11.003 ( 1.300 -3.169 -2.205) 4.074 11.003 ( 1.300 3.169 -2.205) 4.074 11.147 ( -4.333 -5.841 -4.119) 8.358 11.147 ( -4.333 5.841 -4.119) 8.358 11.952 ( 4.829 -1.253 -1.374) 5.174 11.952 ( 4.829 1.253 -1.374) 5.174 12.174 ( -2.781 -4.781 -3.447) 6.517 12.174 ( -2.781 4.781 -3.447) 6.517 12.342 ( 9.951 -5.398 3.205) 11.766 12.342 ( 9.951 5.398 3.205) 11.766 12.977 ( -13.100 -2.373 3.708) 13.820 12.977 ( -13.100 2.373 3.708) 13.820 14.537 ( 7.796 -12.664 4.006) 15.401 14.537 ( 7.796 12.664 4.006) 15.401 14.870 ( -4.848 -11.275 6.309) 13.800 14.870 ( -4.848 11.275 6.309) 13.800 19.394 ( 1.575 -5.563 -1.371) 5.942 19.394 ( 1.575 5.563 -1.371) 5.942 19.513 ( -2.888 -13.385 -3.329) 14.092 19.513 ( -2.888 13.385 -3.329) 14.092 20.498 ( 6.577 -5.368 -5.533) 10.133 20.498 ( 6.577 5.368 -5.533) 10.133 20.910 ( -9.029 -7.069 -6.083) 12.981 20.910 ( -9.029 7.069 -6.083) 12.981 22.172 ( 7.427 -2.311 -2.026) 8.038 22.172 ( 7.427 2.311 -2.026) 8.038 22.552 ( -7.230 -2.131 -2.193) 7.851 22.552 ( -7.230 2.131 -2.193) 7.851 23.363 ( 7.911 -3.542 11.621) 14.498 23.363 ( 7.911 3.542 11.621) 14.498 23.671 ( -3.745 -7.834 4.089) 9.597 23.671 ( -3.745 7.834 4.089) 9.597 ======================= Grid point 114 (45/90) ======================= q-point: (-0.50 -0.50 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.432 ( -8.837 -10.498 6.138) 15.033 2.432 ( 7.686 -10.270 6.138) 14.220 2.432 ( -7.686 10.270 6.138) 14.220 2.432 ( 8.837 10.498 6.138) 15.033 2.494 ( -4.508 -12.842 4.331) 14.282 2.494 ( 4.127 -12.810 4.331) 14.138 2.494 ( -4.127 12.810 4.331) 14.138 2.494 ( 4.508 12.842 4.331) 14.282 3.554 ( -0.759 -10.670 -0.267) 10.700 3.554 ( 0.657 -10.668 -0.267) 10.692 3.554 ( -0.657 10.668 -0.267) 10.692 3.554 ( 0.759 10.670 -0.267) 10.700 4.052 ( -1.749 -5.801 -4.347) 7.456 4.052 ( 0.929 -5.753 -4.347) 7.270 4.052 ( -0.929 5.753 -4.347) 7.270 4.052 ( 1.749 5.801 -4.347) 7.456 4.335 ( -5.686 -3.088 -1.622) 6.671 4.335 ( 3.950 -2.313 -1.622) 4.856 4.335 ( -3.950 2.313 -1.622) 4.856 4.335 ( 5.686 3.088 -1.622) 6.671 4.831 ( -0.996 -8.461 4.635) 9.698 4.831 ( 0.919 -8.458 4.635) 9.689 4.831 ( -0.919 8.458 4.635) 9.689 4.831 ( 0.996 8.461 4.635) 9.698 5.720 ( -1.469 -7.998 -6.678) 10.523 5.720 ( 0.586 -7.970 -6.678) 10.414 5.720 ( -0.586 7.970 -6.678) 10.414 5.720 ( 1.469 7.998 -6.678) 10.523 6.403 ( -5.418 -6.673 -5.472) 10.190 6.403 ( 5.139 -6.618 -5.472) 10.008 6.403 ( -5.139 6.618 -5.472) 10.008 6.403 ( 5.418 6.673 -5.472) 10.190 6.848 ( -3.122 -5.998 0.934) 6.826 6.848 ( 2.547 -5.930 0.934) 6.521 6.848 ( -2.547 5.930 0.934) 6.521 6.848 ( 3.122 5.998 0.934) 6.826 7.279 ( -5.174 -5.038 -1.764) 7.434 7.279 ( 5.059 -5.009 -1.764) 7.335 7.279 ( -5.059 5.009 -1.764) 7.335 7.279 ( 5.174 5.038 -1.764) 7.434 8.149 ( -2.635 -7.489 2.070) 8.204 8.149 ( 2.512 -7.478 2.070) 8.156 8.149 ( -2.512 7.478 2.070) 8.156 8.149 ( 2.635 7.489 2.070) 8.204 8.554 ( -5.760 -5.277 1.106) 7.890 8.554 ( 5.731 -5.269 1.106) 7.863 8.554 ( -5.731 5.269 1.106) 7.863 8.554 ( 5.760 5.277 1.106) 7.890 10.017 ( -1.319 -15.886 -5.744) 16.944 10.017 ( 1.002 -15.880 -5.744) 16.917 10.017 ( -1.002 15.880 -5.744) 16.917 10.017 ( 1.319 15.886 -5.744) 16.944 11.055 ( -3.431 -4.013 -3.253) 6.202 11.055 ( 3.117 -3.949 -3.253) 5.991 11.055 ( -3.117 3.949 -3.253) 5.991 11.055 ( 3.431 4.013 -3.253) 6.202 12.074 ( -3.111 -8.705 -2.404) 9.552 12.074 ( 0.051 -8.565 -2.404) 8.896 12.074 ( -0.051 8.565 -2.404) 8.896 12.074 ( 3.111 8.705 -2.404) 9.552 12.642 ( -15.564 -4.239 3.716) 16.554 12.642 ( -13.925 2.425 3.716) 14.615 12.642 ( 13.925 -2.425 3.716) 14.615 12.642 ( 15.564 4.239 3.716) 16.554 14.722 ( -7.228 -14.612 5.219) 17.117 14.722 ( 5.613 -14.434 5.219) 16.343 14.722 ( -5.613 14.434 5.219) 16.343 14.722 ( 7.228 14.612 5.219) 17.117 19.444 ( -2.849 -9.880 -2.358) 10.549 19.444 ( 2.781 -9.875 -2.358) 10.527 19.444 ( -2.781 9.875 -2.358) 10.527 19.444 ( 2.849 9.880 -2.358) 10.549 20.688 ( -8.675 -11.120 -4.663) 14.855 20.688 ( 3.661 -10.402 -4.663) 11.973 20.688 ( -3.661 10.402 -4.663) 11.973 20.688 ( 8.675 11.120 -4.663) 14.855 22.364 ( -9.275 -2.384 -3.264) 10.117 22.364 ( -9.272 2.382 -3.264) 10.114 22.364 ( 9.272 -2.382 -3.264) 10.114 22.364 ( 9.275 2.384 -3.264) 10.117 23.544 ( -6.633 -7.542 7.758) 12.691 23.544 ( 2.677 -6.905 7.758) 10.725 23.544 ( -2.677 6.905 7.758) 10.725 23.544 ( 6.633 7.542 7.758) 12.691 ======================= Grid point 135 (46/90) ======================= q-point: ( 0.00 0.00 0.30) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( 0.000 0.000 24.112) 24.112 1.592 ( 0.000 0.000 25.052) 25.052 2.062 ( 0.000 0.000 7.196) 7.196 2.295 ( 0.000 0.000 -2.455) 2.455 2.334 ( 0.000 0.000 12.244) 12.244 2.606 ( 0.000 0.000 19.023) 19.023 2.735 ( 0.000 0.000 -8.776) 8.776 2.827 ( 0.000 0.000 -6.580) 6.580 3.068 ( 0.000 0.000 0.560) 0.560 3.095 ( 0.000 0.000 -0.152) 0.152 3.171 ( 0.000 0.000 -13.709) 13.709 3.230 ( 0.000 0.000 -8.828) 8.828 3.567 ( 0.000 0.000 2.534) 2.534 3.673 ( 0.000 0.000 1.172) 1.172 3.914 ( 0.000 0.000 1.968) 1.968 4.193 ( 0.000 0.000 -4.515) 4.515 4.456 ( 0.000 0.000 -6.301) 6.301 4.540 ( 0.000 0.000 -1.731) 1.731 4.610 ( 0.000 0.000 -4.860) 4.860 4.631 ( 0.000 0.000 -2.463) 2.463 4.706 ( 0.000 0.000 -4.881) 4.881 4.732 ( 0.000 0.000 -10.099) 10.099 4.965 ( 0.000 0.000 1.488) 1.488 4.991 ( 0.000 0.000 10.952) 10.952 5.009 ( 0.000 0.000 -3.121) 3.121 5.350 ( 0.000 0.000 5.790) 5.790 5.759 ( 0.000 0.000 5.613) 5.613 5.996 ( 0.000 0.000 6.586) 6.586 6.016 ( 0.000 0.000 8.606) 8.606 6.183 ( 0.000 0.000 -11.082) 11.082 6.191 ( 0.000 0.000 -0.178) 0.178 6.203 ( 0.000 0.000 -1.249) 1.249 6.221 ( 0.000 0.000 5.373) 5.373 6.732 ( 0.000 0.000 -9.961) 9.961 6.975 ( 0.000 0.000 -4.718) 4.718 7.041 ( 0.000 0.000 -8.163) 8.163 7.052 ( 0.000 0.000 -8.189) 8.189 7.211 ( 0.000 0.000 -9.431) 9.431 7.848 ( 0.000 0.000 11.781) 11.781 8.040 ( 0.000 0.000 4.998) 4.998 8.130 ( 0.000 0.000 1.143) 1.143 8.313 ( 0.000 0.000 -3.425) 3.425 8.329 ( 0.000 0.000 -4.811) 4.811 8.410 ( 0.000 0.000 4.835) 4.835 8.658 ( 0.000 0.000 -1.218) 1.218 8.723 ( 0.000 0.000 -1.483) 1.483 8.756 ( 0.000 0.000 -3.299) 3.299 8.788 ( 0.000 0.000 -11.278) 11.278 9.100 ( 0.000 0.000 3.213) 3.213 9.215 ( 0.000 0.000 4.081) 4.081 10.399 ( 0.000 0.000 -4.095) 4.095 10.593 ( 0.000 0.000 -8.689) 8.689 10.736 ( 0.000 0.000 -0.840) 0.840 10.748 ( 0.000 0.000 -0.581) 0.581 11.339 ( 0.000 0.000 4.492) 4.492 11.517 ( 0.000 0.000 -6.333) 6.333 11.567 ( 0.000 0.000 -7.607) 7.607 11.573 ( 0.000 0.000 7.805) 7.805 11.823 ( 0.000 0.000 -3.760) 3.760 12.074 ( 0.000 0.000 -3.930) 3.930 12.104 ( 0.000 0.000 4.332) 4.332 12.493 ( 0.000 0.000 -4.204) 4.204 12.876 ( 0.000 0.000 11.440) 11.440 13.201 ( 0.000 0.000 2.926) 2.926 14.125 ( 0.000 0.000 14.980) 14.980 14.992 ( 0.000 0.000 -5.205) 5.205 15.620 ( 0.000 0.000 -0.496) 0.496 15.825 ( 0.000 0.000 -5.418) 5.418 18.589 ( 0.000 0.000 0.636) 0.636 18.617 ( 0.000 0.000 0.545) 0.545 18.643 ( 0.000 0.000 -0.577) 0.577 18.663 ( 0.000 0.000 -0.464) 0.464 20.442 ( 0.000 0.000 1.212) 1.212 20.529 ( 0.000 0.000 -0.024) 0.024 21.031 ( 0.000 0.000 -2.150) 2.150 21.231 ( 0.000 0.000 -3.898) 3.898 22.020 ( 0.000 0.000 1.042) 1.042 22.126 ( 0.000 0.000 -1.413) 1.413 22.561 ( 0.000 0.000 -0.695) 0.695 22.709 ( 0.000 0.000 -4.880) 4.880 23.461 ( 0.000 0.000 11.750) 11.750 23.618 ( 0.000 0.000 7.384) 7.384 23.781 ( 0.000 0.000 1.093) 1.093 24.411 ( 0.000 0.000 -12.221) 12.221 ======================= Grid point 136 (47/90) ======================= q-point: ( 0.25 0.00 0.30) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( 7.351 0.000 21.040) 22.287 1.767 ( 13.328 0.000 21.425) 25.232 1.975 ( -7.090 0.000 9.509) 11.861 2.271 ( -6.328 0.000 12.567) 14.070 2.351 ( 4.380 0.000 -3.233) 5.444 2.616 ( -6.903 0.000 -6.168) 9.258 2.639 ( 3.131 0.000 8.756) 9.299 2.885 ( -7.483 0.000 -7.464) 10.570 2.930 ( 5.596 0.000 -9.392) 10.933 3.135 ( -3.104 0.000 -12.937) 13.304 3.140 ( 1.718 0.000 3.055) 3.505 3.365 ( 6.799 0.000 4.896) 8.379 3.669 ( 2.238 0.000 0.341) 2.264 3.700 ( 6.731 0.000 0.180) 6.733 3.976 ( 5.424 0.000 1.588) 5.651 4.229 ( 1.580 0.000 -1.289) 2.039 4.363 ( -4.986 0.000 -6.599) 8.271 4.501 ( -4.043 0.000 -4.232) 5.853 4.565 ( -4.785 0.000 1.399) 4.985 4.643 ( 2.497 0.000 -7.208) 7.628 4.734 ( 2.374 0.000 -7.701) 8.058 4.764 ( -13.698 0.000 20.089) 24.314 4.765 ( 1.554 0.000 -7.947) 8.098 4.936 ( -6.188 0.000 -4.113) 7.430 5.029 ( 3.263 0.000 -1.195) 3.475 5.267 ( -5.875 0.000 0.937) 5.949 5.790 ( 2.811 0.000 6.079) 6.697 5.980 ( -3.499 0.000 8.204) 8.919 6.013 ( 2.537 0.000 0.790) 2.657 6.158 ( -2.581 0.000 0.410) 2.613 6.177 ( -0.409 0.000 1.299) 1.362 6.212 ( -0.884 0.000 4.652) 4.735 6.396 ( 13.022 0.000 -6.910) 14.742 6.733 ( -0.930 0.000 -9.755) 9.799 6.989 ( 1.042 0.000 -5.423) 5.522 7.033 ( -0.678 0.000 -7.743) 7.773 7.076 ( 1.973 0.000 -7.609) 7.861 7.187 ( -2.156 0.000 -8.180) 8.460 7.922 ( 6.337 0.000 10.993) 12.689 8.039 ( -0.607 0.000 2.382) 2.458 8.102 ( -2.236 0.000 1.359) 2.616 8.236 ( 0.506 0.000 -0.514) 0.721 8.299 ( -8.215 0.000 6.528) 10.493 8.374 ( -1.184 0.000 -3.396) 3.597 8.716 ( 3.417 0.000 -3.808) 5.116 8.771 ( 3.482 0.000 -2.147) 4.091 8.787 ( -0.153 0.000 -10.326) 10.327 8.827 ( 3.834 0.000 -6.962) 7.948 9.114 ( 1.260 0.000 3.732) 3.939 9.197 ( -1.544 0.000 4.209) 4.483 10.421 ( 1.987 0.000 -4.554) 4.969 10.557 ( -2.976 0.000 -7.674) 8.231 10.776 ( 3.169 0.000 -0.393) 3.193 10.813 ( 4.454 0.000 -1.948) 4.862 11.301 ( -0.854 0.000 0.594) 1.041 11.500 ( -4.133 0.000 -10.033) 10.851 11.615 ( 5.147 0.000 -2.656) 5.792 11.627 ( 4.595 0.000 6.601) 8.042 11.802 ( -2.044 0.000 -3.688) 4.217 11.921 ( -7.630 0.000 1.773) 7.834 12.247 ( 6.606 0.000 -1.126) 6.701 12.462 ( -2.726 0.000 -3.821) 4.694 12.890 ( 1.764 0.000 10.617) 10.763 13.121 ( -6.373 0.000 4.376) 7.731 14.220 ( 8.279 0.000 14.408) 16.618 14.801 ( -14.486 0.000 3.497) 14.902 15.669 ( 3.554 0.000 -4.288) 5.569 15.808 ( -1.698 0.000 -5.793) 6.037 18.592 ( 0.289 0.000 0.591) 0.657 18.611 ( -0.430 0.000 0.477) 0.642 18.648 ( 0.334 0.000 -0.479) 0.584 18.661 ( -0.186 0.000 -0.448) 0.485 20.459 ( 2.793 0.000 2.109) 3.500 20.603 ( 2.615 0.000 1.308) 2.924 20.982 ( -0.516 0.000 -3.327) 3.367 21.222 ( -3.035 0.000 -6.220) 6.921 22.061 ( 4.767 0.000 0.539) 4.798 22.198 ( 5.476 0.000 -3.576) 6.540 22.471 ( -7.293 0.000 -0.496) 7.310 22.604 ( -8.324 0.000 -4.405) 9.417 23.446 ( 0.441 0.000 10.966) 10.975 23.546 ( -2.834 0.000 8.063) 8.546 24.012 ( 13.481 0.000 -1.562) 13.571 24.388 ( -2.713 0.000 -10.089) 10.448 ======================= Grid point 137 (48/90) ======================= q-point: (-0.50 0.00 0.30) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( -9.689 0.000 14.841) 17.724 1.783 ( 9.689 0.000 14.841) 17.724 2.062 ( -12.107 0.000 16.628) 20.568 2.062 ( 12.107 0.000 16.628) 20.568 2.469 ( -6.214 0.000 -4.487) 7.665 2.469 ( 6.214 0.000 -4.487) 7.665 2.736 ( -5.753 0.000 -7.258) 9.262 2.736 ( 5.753 0.000 -7.258) 9.262 3.045 ( -4.814 0.000 -11.422) 12.395 3.045 ( 4.814 0.000 -11.422) 12.395 3.303 ( -9.851 0.000 7.151) 12.173 3.303 ( 9.851 0.000 7.151) 12.173 3.766 ( -3.203 0.000 1.754) 3.652 3.766 ( 3.203 0.000 1.754) 3.652 4.131 ( -7.824 0.000 1.508) 7.968 4.131 ( 7.824 0.000 1.508) 7.968 4.392 ( -5.101 0.000 -6.718) 8.435 4.392 ( 5.101 0.000 -6.718) 8.435 4.515 ( -3.432 0.000 12.038) 12.518 4.515 ( 3.432 0.000 12.038) 12.518 4.774 ( -0.826 0.000 -8.167) 8.209 4.774 ( 0.826 0.000 -8.167) 8.209 4.778 ( -7.193 0.000 -4.357) 8.410 4.778 ( 7.193 0.000 -4.357) 8.410 5.133 ( -5.837 0.000 -1.664) 6.070 5.133 ( 5.837 0.000 -1.664) 6.070 5.878 ( -4.934 0.000 7.055) 8.610 5.878 ( 4.934 0.000 7.055) 8.610 6.087 ( -3.652 0.000 0.475) 3.682 6.087 ( 3.652 0.000 0.475) 3.682 6.188 ( -1.122 0.000 3.456) 3.633 6.188 ( 1.122 0.000 3.456) 3.633 6.641 ( -8.017 0.000 -8.321) 11.555 6.641 ( 8.017 0.000 -8.321) 11.555 7.013 ( -1.067 0.000 -6.705) 6.789 7.013 ( 1.067 0.000 -6.705) 6.789 7.129 ( -2.732 0.000 -6.819) 7.346 7.129 ( 2.732 0.000 -6.819) 7.346 8.049 ( -1.967 0.000 1.420) 2.426 8.049 ( 1.967 0.000 1.420) 2.426 8.100 ( -9.199 0.000 9.021) 12.884 8.100 ( 9.199 0.000 9.021) 12.884 8.307 ( -4.188 0.000 -1.386) 4.412 8.307 ( 4.188 0.000 -1.386) 4.412 8.771 ( -1.527 0.000 -7.699) 7.849 8.771 ( 1.527 0.000 -7.699) 7.849 8.843 ( -2.208 0.000 -5.408) 5.842 8.843 ( 2.208 0.000 -5.408) 5.842 9.154 ( -2.162 0.000 4.299) 4.812 9.154 ( 2.162 0.000 4.299) 4.812 10.482 ( -3.384 0.000 -5.867) 6.773 10.482 ( 3.384 0.000 -5.867) 6.773 10.846 ( -1.997 0.000 -0.643) 2.098 10.846 ( 1.997 0.000 -0.643) 2.098 11.371 ( -6.372 0.000 -7.153) 9.580 11.371 ( 6.372 0.000 -7.153) 9.580 11.729 ( -4.578 0.000 -3.049) 5.500 11.729 ( 4.578 0.000 -3.049) 5.500 11.758 ( -6.947 0.000 4.212) 8.124 11.758 ( 6.947 0.000 4.212) 8.124 12.376 ( -5.022 0.000 -2.756) 5.729 12.376 ( 5.022 0.000 -2.756) 5.729 12.974 ( -5.888 0.000 7.742) 9.727 12.974 ( 5.888 0.000 7.742) 9.727 14.470 ( -14.026 0.000 11.766) 18.308 14.470 ( 14.026 0.000 11.766) 18.308 15.749 ( -3.464 0.000 -6.165) 7.072 15.749 ( 3.464 0.000 -6.165) 7.072 18.601 ( -0.468 0.000 0.500) 0.685 18.601 ( 0.468 0.000 0.500) 0.685 18.656 ( -0.329 0.000 -0.431) 0.542 18.656 ( 0.329 0.000 -0.431) 0.542 20.557 ( -5.093 0.000 3.289) 6.063 20.557 ( 5.093 0.000 3.289) 6.063 21.086 ( -7.848 0.000 -6.511) 10.197 21.086 ( 7.848 0.000 -6.511) 10.197 22.218 ( -7.559 0.000 -2.435) 7.942 22.218 ( 7.559 0.000 -2.435) 7.942 22.415 ( -6.965 0.000 -2.772) 7.496 22.415 ( 6.965 0.000 -2.772) 7.496 23.488 ( -2.633 0.000 9.317) 9.682 23.488 ( 2.633 0.000 9.317) 9.682 24.265 ( -8.764 0.000 -5.823) 10.522 24.265 ( 8.764 0.000 -5.823) 10.522 ======================= Grid point 140 (49/90) ======================= q-point: ( 0.00 0.12 0.30) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( 0.000 10.696 22.218) 24.659 1.646 ( 0.000 5.704 22.691) 23.397 2.236 ( 0.000 15.135 6.148) 16.336 2.359 ( 0.000 3.545 11.325) 11.867 2.436 ( 0.000 12.530 -0.179) 12.531 2.661 ( 0.000 5.391 14.341) 15.321 2.845 ( 0.000 10.528 -7.638) 13.007 2.955 ( 0.000 10.864 -4.375) 11.712 3.033 ( 0.000 -1.640 1.812) 2.444 3.064 ( 0.000 -3.613 0.794) 3.699 3.200 ( 0.000 0.722 -11.536) 11.559 3.291 ( 0.000 8.575 -10.600) 13.634 3.543 ( 0.000 -1.547 2.421) 2.873 3.642 ( 0.000 -2.666 0.798) 2.783 3.901 ( 0.000 -1.650 2.263) 2.801 4.194 ( 0.000 -0.853 -5.239) 5.308 4.338 ( 0.000 -8.639 -5.691) 10.345 4.552 ( 0.000 0.044 -1.819) 1.819 4.650 ( 0.000 0.879 -4.453) 4.539 4.672 ( 0.000 4.225 -4.963) 6.518 4.698 ( 0.000 -2.273 -1.415) 2.677 4.750 ( 0.000 4.133 -2.644) 4.906 4.952 ( 0.000 -1.885 2.151) 2.860 4.965 ( 0.000 -1.425 7.900) 8.028 5.036 ( 0.000 3.034 -7.975) 8.532 5.324 ( 0.000 -2.396 4.131) 4.775 5.700 ( 0.000 -4.240 2.161) 4.758 5.987 ( 0.000 -1.177 4.225) 4.386 6.042 ( 0.000 -0.775 2.154) 2.289 6.171 ( 0.000 3.950 -3.352) 5.181 6.243 ( 0.000 3.390 1.704) 3.794 6.273 ( 0.000 4.545 -1.987) 4.960 6.332 ( 0.000 10.262 4.125) 11.060 6.693 ( 0.000 -2.812 -8.837) 9.274 6.950 ( 0.000 -3.547 -9.154) 9.817 7.021 ( 0.000 2.692 -6.248) 6.803 7.144 ( 0.000 -4.219 -4.915) 6.477 7.176 ( 0.000 6.287 -6.535) 9.068 7.895 ( 0.000 2.826 8.542) 8.997 7.930 ( 0.000 -10.292 4.544) 11.250 8.054 ( 0.000 -6.331 1.903) 6.611 8.262 ( 0.000 -4.443 -3.045) 5.387 8.281 ( 0.000 -4.546 -4.101) 6.122 8.439 ( 0.000 1.814 4.630) 4.973 8.617 ( 0.000 -8.493 1.339) 8.598 8.630 ( 0.000 -5.719 -3.481) 6.695 8.694 ( 0.000 1.184 -2.231) 2.525 8.805 ( 0.000 -0.926 -8.028) 8.082 9.234 ( 0.000 9.974 -1.214) 10.047 9.280 ( 0.000 6.148 3.212) 6.936 10.430 ( 0.000 2.142 -5.436) 5.843 10.494 ( 0.000 -8.163 -6.952) 10.722 10.772 ( 0.000 2.484 -0.763) 2.599 10.775 ( 0.000 2.570 -1.677) 3.069 11.360 ( 0.000 0.802 0.875) 1.187 11.429 ( 0.000 -8.509 -0.864) 8.552 11.594 ( 0.000 3.556 -4.360) 5.626 11.595 ( 0.000 1.538 0.975) 1.821 11.820 ( 0.000 2.906 -1.202) 3.145 12.076 ( 0.000 0.137 -3.837) 3.839 12.257 ( 0.000 11.440 0.815) 11.469 12.482 ( 0.000 -1.265 -4.059) 4.252 12.873 ( 0.000 0.207 11.298) 11.300 13.202 ( 0.000 0.178 3.396) 3.400 14.149 ( 0.000 2.483 14.248) 14.462 14.954 ( 0.000 -3.787 -4.509) 5.888 15.443 ( 0.000 -15.082 4.435) 15.721 15.726 ( 0.000 -9.497 -4.515) 10.515 18.695 ( 0.000 7.810 0.451) 7.823 18.715 ( 0.000 12.009 -0.099) 12.009 18.743 ( 0.000 8.455 -0.534) 8.472 18.909 ( 0.000 22.585 -7.668) 23.851 20.406 ( 0.000 -3.544 1.250) 3.758 20.502 ( 0.000 -2.618 -0.192) 2.625 21.022 ( 0.000 -0.947 -2.529) 2.700 21.196 ( 0.000 -3.496 -3.729) 5.112 22.024 ( 0.000 0.443 1.055) 1.144 22.125 ( 0.000 -0.135 -1.295) 1.302 22.561 ( 0.000 0.073 -0.769) 0.772 22.698 ( 0.000 -1.063 -4.730) 4.847 23.462 ( 0.000 0.042 11.548) 11.548 23.616 ( 0.000 -0.155 7.160) 7.161 23.741 ( 0.000 -3.833 2.790) 4.741 24.318 ( 0.000 -8.696 -9.419) 12.820 ======================= Grid point 141 (50/90) ======================= q-point: ( 0.25 0.12 0.30) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( 8.007 10.805 19.698) 23.851 1.807 ( 12.332 4.295 19.202) 23.222 2.137 ( -7.918 13.725 8.279) 17.878 2.294 ( -6.211 3.486 12.041) 13.990 2.484 ( 3.691 12.249 -0.070) 12.794 2.653 ( -0.665 4.169 1.783) 4.583 2.747 ( -5.501 8.317 -3.099) 10.442 2.882 ( -7.736 0.902 -7.056) 10.509 3.037 ( 5.986 8.148 -7.243) 12.437 3.132 ( 3.975 1.179 3.814) 5.634 3.234 ( -2.733 9.257 -12.171) 15.534 3.352 ( 5.953 -0.841 5.864) 8.399 3.595 ( 1.208 -6.019 -0.433) 6.155 3.652 ( 3.534 -3.479 -0.535) 4.988 3.985 ( 6.909 -0.028 1.963) 7.183 4.253 ( 2.439 0.371 -2.484) 3.501 4.303 ( -1.637 -4.981 -6.223) 8.137 4.486 ( -4.504 -0.864 -3.042) 5.504 4.587 ( -4.387 1.081 1.499) 4.760 4.667 ( -0.938 0.962 -3.820) 4.049 4.708 ( -1.255 -2.600 0.587) 2.946 4.748 ( -3.420 1.861 5.710) 6.911 4.818 ( -2.320 4.965 -2.527) 6.035 4.932 ( -4.735 -1.271 -1.919) 5.264 5.065 ( 2.773 3.573 -5.618) 7.212 5.256 ( -4.847 -0.939 0.437) 4.956 5.746 ( 3.624 -3.515 2.351) 5.569 5.930 ( -2.917 -3.212 1.875) 4.727 6.093 ( 1.145 4.212 5.269) 6.842 6.172 ( -1.131 1.789 -1.641) 2.678 6.244 ( 0.682 5.370 2.456) 5.944 6.295 ( -1.255 7.877 2.005) 8.225 6.393 ( 8.706 1.079 -2.599) 9.150 6.675 ( -1.958 -4.292 -8.074) 9.351 6.970 ( 1.598 -3.290 -8.316) 9.085 7.029 ( 0.103 1.073 -7.150) 7.231 7.148 ( 0.682 0.075 -4.639) 4.689 7.182 ( -0.025 5.143 -6.736) 8.475 7.925 ( 2.370 -2.145 7.146) 7.828 7.936 ( 0.244 -10.004 2.701) 10.365 8.038 ( -0.817 -4.140 3.053) 5.209 8.173 ( -2.958 -3.318 0.411) 4.464 8.315 ( -0.922 -2.501 -1.024) 2.855 8.393 ( -2.672 3.173 2.635) 4.914 8.645 ( 2.359 -8.542 -2.596) 9.235 8.678 ( 1.518 -8.763 -3.688) 9.628 8.722 ( 2.758 -0.276 -2.713) 3.878 8.808 ( -0.052 -1.712 -6.676) 6.892 9.248 ( 0.949 9.493 -0.974) 9.590 9.275 ( -0.438 6.912 2.715) 7.439 10.450 ( 1.733 1.886 -5.856) 6.392 10.512 ( 0.583 -4.945 -7.934) 9.367 10.793 ( 2.056 1.632 -0.831) 2.753 10.812 ( 2.711 0.315 -1.494) 3.112 11.276 ( -3.176 -2.096 1.179) 3.984 11.418 ( -3.976 -8.094 -5.139) 10.380 11.601 ( 1.464 1.260 -1.444) 2.412 11.636 ( 1.333 0.010 -0.336) 1.375 11.856 ( 4.645 9.192 -0.219) 10.302 12.092 ( -0.390 8.970 -2.339) 9.278 12.276 ( 2.193 4.423 -1.056) 5.048 12.442 ( -3.240 -2.068 -3.820) 5.420 12.881 ( 1.295 -0.822 10.713) 10.823 13.116 ( -6.836 -0.449 4.719) 8.319 14.242 ( 7.983 2.314 13.695) 16.020 14.775 ( -13.166 -2.350 4.097) 13.987 15.522 ( 5.287 -13.081 -1.260) 14.165 15.703 ( -2.189 -10.009 -4.656) 11.254 18.695 ( 0.029 7.940 0.447) 7.952 18.706 ( -0.496 9.770 0.188) 9.784 18.764 ( 1.655 11.480 -1.184) 11.659 18.872 ( -2.771 19.955 -5.526) 20.891 20.431 ( 3.152 -2.732 1.981) 4.618 20.575 ( 2.872 -2.767 1.000) 4.111 20.963 ( -1.303 -1.985 -3.213) 3.995 21.188 ( -3.083 -3.474 -6.134) 7.694 22.068 ( 4.858 0.683 0.480) 4.929 22.196 ( 5.513 -0.213 -3.328) 6.443 22.471 ( -7.376 0.024 -0.607) 7.401 22.594 ( -8.241 -0.982 -4.265) 9.331 23.452 ( 0.706 0.715 10.744) 10.791 23.546 ( -2.478 0.056 7.949) 8.326 23.960 ( 12.518 -4.955 0.028) 13.463 24.300 ( -2.248 -8.335 -7.595) 11.499 ======================= Grid point 142 (51/90) ======================= q-point: (-0.50 0.12 0.30) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( -10.557 12.077 13.668) 21.074 1.925 ( 10.557 12.077 13.668) 21.074 2.090 ( -11.851 3.201 15.205) 19.543 2.090 ( 11.851 3.201 15.205) 19.543 2.584 ( -5.072 11.104 -2.625) 12.487 2.584 ( 5.072 11.104 -2.625) 12.487 2.735 ( -4.495 -0.138 -7.845) 9.043 2.735 ( 4.495 -0.138 -7.845) 9.043 3.152 ( -4.029 9.954 -9.864) 14.581 3.152 ( 4.029 9.954 -9.864) 14.581 3.298 ( -8.437 -0.563 6.725) 10.804 3.298 ( 8.437 -0.563 6.725) 10.804 3.678 ( -3.271 -6.340 0.915) 7.193 3.678 ( 3.271 -6.340 0.915) 7.193 4.150 ( -7.065 0.040 0.719) 7.102 4.150 ( 7.065 0.040 0.719) 7.102 4.385 ( -4.628 -0.744 -4.428) 6.449 4.385 ( 4.628 -0.744 -4.428) 6.449 4.542 ( -2.694 2.180 10.206) 10.778 4.542 ( 2.694 2.180 10.206) 10.778 4.735 ( -2.418 -0.620 -4.295) 4.968 4.735 ( 2.418 -0.620 -4.295) 4.968 4.828 ( -2.387 2.610 -5.770) 6.768 4.828 ( 2.387 2.610 -5.770) 6.768 5.148 ( -4.584 1.631 -3.015) 5.724 5.148 ( 4.584 1.631 -3.015) 5.724 5.843 ( -4.756 -3.224 2.823) 6.402 5.843 ( 4.756 -3.224 2.823) 6.402 6.128 ( -2.260 3.308 1.715) 4.358 6.128 ( 2.260 3.308 1.715) 4.358 6.265 ( -1.149 7.439 3.114) 8.145 6.265 ( 1.149 7.439 3.114) 8.145 6.583 ( -6.774 -4.387 -6.479) 10.350 6.583 ( 6.774 -4.387 -6.479) 10.350 7.009 ( -1.683 -1.975 -7.234) 7.685 7.009 ( 1.683 -1.975 -7.234) 7.685 7.170 ( -0.952 4.356 -5.682) 7.222 7.170 ( 0.952 4.356 -5.682) 7.222 7.945 ( -1.055 -9.430 1.959) 9.689 7.945 ( 1.055 -9.430 1.959) 9.689 8.086 ( -4.955 -1.782 5.416) 7.554 8.086 ( 4.955 -1.782 5.416) 7.554 8.331 ( -2.705 2.150 0.491) 3.490 8.331 ( 2.705 2.150 0.491) 3.490 8.683 ( -0.847 -8.883 -4.485) 9.987 8.683 ( 0.847 -8.883 -4.485) 9.987 8.784 ( -2.249 -2.700 -4.261) 5.523 8.784 ( 2.249 -2.700 -4.261) 5.523 9.264 ( -0.523 8.339 0.965) 8.411 9.264 ( 0.523 8.339 0.965) 8.411 10.494 ( -1.879 0.153 -7.095) 7.341 10.494 ( 1.879 0.153 -7.095) 7.341 10.839 ( -1.112 -0.506 -1.092) 1.638 10.839 ( 1.112 -0.506 -1.092) 1.638 11.298 ( -4.991 -6.065 -3.170) 8.470 11.298 ( 4.991 -6.065 -3.170) 8.470 11.632 ( -1.113 -0.803 -1.310) 1.897 11.632 ( 1.113 -0.803 -1.310) 1.897 12.004 ( -6.947 14.899 -0.046) 16.439 12.004 ( 6.947 14.899 -0.046) 16.439 12.356 ( -4.321 -2.103 -3.322) 5.842 12.356 ( 4.321 -2.103 -3.322) 5.842 12.960 ( -6.067 -1.409 8.000) 10.139 12.960 ( 6.067 -1.409 8.000) 10.139 14.476 ( -12.813 0.816 11.334) 17.126 14.476 ( 12.813 0.816 11.334) 17.126 15.631 ( -4.269 -11.116 -4.403) 12.695 15.631 ( 4.269 -11.116 -4.403) 12.695 18.698 ( -0.222 8.445 0.395) 8.457 18.698 ( 0.222 8.445 0.395) 8.457 18.811 ( -2.555 15.367 -2.726) 15.814 18.811 ( 2.555 15.367 -2.726) 15.814 20.533 ( -5.121 -2.248 3.066) 6.378 20.533 ( 5.121 -2.248 3.066) 6.378 21.054 ( -7.584 -3.357 -6.396) 10.473 21.054 ( 7.584 -3.357 -6.396) 10.473 22.225 ( -7.467 0.692 -2.380) 7.868 22.225 ( 7.467 0.692 -2.380) 7.868 22.406 ( -6.893 -0.861 -2.694) 7.451 22.406 ( 6.893 -0.861 -2.694) 7.451 23.495 ( -2.414 0.755 9.129) 9.473 23.495 ( 2.414 0.755 9.129) 9.473 24.192 ( -7.860 -6.979 -3.910) 11.215 24.192 ( 7.860 -6.979 -3.910) 11.215 ======================= Grid point 145 (52/90) ======================= q-point: ( 0.00 0.25 0.30) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( 0.000 10.930 17.722) 20.822 1.857 ( 0.000 13.028 18.940) 22.988 2.410 ( 0.000 5.464 8.069) 9.745 2.618 ( 0.000 17.034 5.344) 17.852 2.682 ( 0.000 9.493 2.932) 9.935 2.734 ( 0.000 -1.208 3.311) 3.524 2.942 ( 0.000 -6.310 -2.149) 6.666 3.034 ( 0.000 7.973 6.431) 10.244 3.079 ( 0.000 7.185 -0.092) 7.185 3.235 ( 0.000 4.772 -8.201) 9.488 3.241 ( 0.000 12.876 -1.567) 12.971 3.492 ( 0.000 8.915 -5.608) 10.533 3.564 ( 0.000 5.572 0.944) 5.652 3.643 ( 0.000 6.504 -5.792) 8.709 3.840 ( 0.000 -4.385 4.300) 6.142 4.141 ( 0.000 -4.335 -5.206) 6.774 4.178 ( 0.000 -7.173 -6.052) 9.385 4.487 ( 0.000 -6.634 1.182) 6.739 4.602 ( 0.000 -5.372 -2.041) 5.747 4.683 ( 0.000 -0.526 2.737) 2.787 4.731 ( 0.000 0.129 -2.329) 2.333 4.811 ( 0.000 0.810 7.925) 7.966 4.942 ( 0.000 1.730 0.905) 1.953 5.023 ( 0.000 8.069 -6.725) 10.504 5.126 ( 0.000 7.320 -11.368) 13.521 5.270 ( 0.000 -2.476 2.582) 3.578 5.640 ( 0.000 -1.410 -3.386) 3.668 5.969 ( 0.000 -5.552 -5.097) 7.536 5.972 ( 0.000 0.492 0.435) 0.657 6.257 ( 0.000 1.012 -4.130) 4.253 6.317 ( 0.000 3.788 0.870) 3.887 6.353 ( 0.000 3.942 0.076) 3.943 6.548 ( 0.000 9.811 2.831) 10.211 6.697 ( 0.000 4.578 -4.196) 6.210 6.895 ( 0.000 -2.317 -7.456) 7.807 6.968 ( 0.000 -3.843 -1.216) 4.031 7.186 ( 0.000 4.933 -4.759) 6.854 7.268 ( 0.000 2.434 -4.839) 5.417 7.681 ( 0.000 -13.873 3.440) 14.294 7.766 ( 0.000 -13.866 0.162) 13.867 8.060 ( 0.000 4.398 6.235) 7.630 8.175 ( 0.000 -5.568 -2.620) 6.154 8.187 ( 0.000 -1.351 -1.172) 1.789 8.415 ( 0.000 -4.838 1.537) 5.077 8.440 ( 0.000 -8.830 2.049) 9.064 8.590 ( 0.000 2.182 -0.313) 2.204 8.732 ( 0.000 1.850 -0.758) 2.000 8.742 ( 0.000 -5.062 -4.979) 7.100 9.430 ( 0.000 9.993 -4.223) 10.848 9.434 ( 0.000 9.380 1.130) 9.448 10.311 ( 0.000 -10.253 -5.708) 11.735 10.421 ( 0.000 -4.503 -7.146) 8.446 10.826 ( 0.000 2.767 -1.495) 3.145 10.850 ( 0.000 5.594 -1.720) 5.852 11.241 ( 0.000 -9.248 2.346) 9.541 11.332 ( 0.000 -3.474 -3.898) 5.221 11.640 ( 0.000 3.398 -2.849) 4.434 11.714 ( 0.000 7.792 -0.180) 7.794 11.925 ( 0.000 6.494 -1.372) 6.638 12.077 ( 0.000 -0.142 -3.830) 3.832 12.432 ( 0.000 4.312 0.551) 4.347 12.438 ( 0.000 -3.137 -2.630) 4.094 12.925 ( 0.000 6.129 8.295) 10.314 13.213 ( 0.000 0.950 4.113) 4.221 14.223 ( 0.000 5.122 12.118) 13.156 14.849 ( 0.000 -6.797 -2.515) 7.247 15.152 ( 0.000 -12.573 8.786) 15.338 15.489 ( 0.000 -13.836 -2.485) 14.057 18.906 ( 0.000 13.182 -0.015) 13.182 18.961 ( 0.000 12.978 -0.360) 12.983 19.006 ( 0.000 16.236 -1.317) 16.289 19.362 ( 0.000 20.058 -15.074) 25.091 20.319 ( 0.000 -4.509 0.838) 4.586 20.433 ( 0.000 -4.154 -0.766) 4.224 20.992 ( 0.000 -2.165 -3.545) 4.154 21.098 ( 0.000 -6.250 -3.354) 7.093 22.037 ( 0.000 0.897 0.994) 1.339 22.119 ( 0.000 -0.480 -0.959) 1.072 22.565 ( 0.000 0.369 -1.027) 1.091 22.670 ( 0.000 -1.759 -4.210) 4.563 23.463 ( 0.000 0.131 11.177) 11.178 23.621 ( 0.000 0.945 6.293) 6.363 23.648 ( 0.000 -5.217 6.376) 8.239 24.115 ( 0.000 -11.079 -4.603) 11.997 ======================= Grid point 146 (53/90) ======================= q-point: ( 0.25 0.25 0.30) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( 9.914 9.474 16.023) 21.089 1.950 ( 7.511 11.136 15.543) 20.542 2.332 ( -6.833 6.786 7.450) 12.176 2.483 ( -9.938 12.664 8.946) 18.417 2.666 ( -1.044 -2.116 -1.627) 2.866 2.766 ( 2.753 11.475 0.881) 11.833 2.880 ( -7.474 -0.223 -5.788) 9.456 2.964 ( -5.859 9.401 -0.490) 11.089 3.076 ( 5.777 0.587 3.450) 6.755 3.274 ( 2.323 3.850 4.791) 6.571 3.407 ( 3.607 9.726 0.548) 10.388 3.437 ( 2.293 10.062 -7.089) 12.520 3.563 ( -3.541 7.497 -3.754) 9.101 3.627 ( 2.745 2.372 -3.851) 5.290 3.952 ( 7.670 -3.284 3.439) 9.025 4.170 ( -0.563 -6.441 -4.307) 7.769 4.239 ( 5.673 -2.923 -6.060) 8.801 4.440 ( -3.449 -4.648 -0.633) 5.822 4.568 ( -1.933 -3.859 0.744) 4.380 4.652 ( -3.165 -0.213 4.770) 5.728 4.694 ( -1.799 -1.166 2.704) 3.451 4.787 ( -2.163 0.622 6.136) 6.536 4.938 ( -0.600 5.140 -2.260) 5.647 4.986 ( -2.560 9.129 -7.009) 11.791 5.148 ( 1.810 5.586 -9.874) 11.488 5.239 ( -2.179 -0.125 -0.391) 2.218 5.686 ( 3.572 -2.090 -2.989) 5.105 5.862 ( -4.120 -3.733 -2.066) 5.931 6.103 ( 4.953 -1.572 -2.123) 5.613 6.212 ( -1.949 0.776 -3.668) 4.226 6.370 ( 1.767 4.567 -0.656) 4.940 6.404 ( 5.632 4.629 1.557) 7.454 6.514 ( -2.854 8.571 2.096) 9.273 6.648 ( -3.910 3.550 -2.654) 5.911 6.909 ( 1.200 -3.081 -6.898) 7.649 6.967 ( -0.521 -3.958 -2.291) 4.603 7.206 ( 1.859 3.552 -4.618) 6.116 7.276 ( 0.146 3.118 -4.932) 5.837 7.685 ( 0.435 -14.554 1.914) 14.686 7.744 ( -1.696 -13.715 -0.096) 13.820 8.026 ( -0.968 0.530 4.053) 4.200 8.136 ( -3.732 -0.656 1.092) 3.944 8.258 ( 5.566 -1.178 0.097) 5.691 8.415 ( -0.007 -3.552 2.313) 4.239 8.478 ( 2.139 -7.871 -0.839) 8.200 8.562 ( -2.556 -0.482 -0.005) 2.601 8.718 ( -0.161 -1.778 -3.064) 3.546 8.747 ( -0.374 -3.088 -2.755) 4.155 9.428 ( 0.184 9.323 -1.366) 9.424 9.443 ( 0.165 9.817 -1.711) 9.966 10.360 ( 3.715 -10.004 -6.881) 12.697 10.433 ( 0.694 -5.390 -7.407) 9.187 10.834 ( 0.739 2.370 -1.577) 2.941 10.851 ( 0.051 4.205 -1.647) 4.516 11.201 ( -2.531 -6.199 1.504) 6.863 11.273 ( -4.482 -5.094 -2.545) 7.246 11.659 ( 1.326 4.290 -3.058) 5.432 11.695 ( -0.801 5.942 -1.753) 6.247 12.056 ( 9.878 9.613 -0.760) 13.804 12.156 ( 6.202 -0.662 -3.171) 6.997 12.378 ( -3.521 -3.263 -1.713) 5.097 12.442 ( -1.915 8.023 -2.024) 8.493 12.877 ( -2.437 1.368 9.815) 10.205 13.108 ( -8.350 -0.330 5.105) 9.793 14.314 ( 7.507 5.164 11.612) 14.760 14.729 ( -8.834 -1.793 4.609) 10.124 15.238 ( 5.905 -14.575 2.495) 15.922 15.456 ( -2.912 -14.235 -2.366) 14.721 18.906 ( 0.101 13.101 0.070) 13.101 18.934 ( -1.335 13.216 0.028) 13.283 19.059 ( 3.744 16.408 -2.671) 17.041 19.289 ( -5.605 19.256 -11.281) 23.010 20.365 ( 4.207 -3.333 1.245) 5.509 20.506 ( 3.787 -3.830 -0.049) 5.387 20.904 ( -3.493 -3.974 -2.866) 6.017 21.089 ( -3.420 -6.493 -5.921) 9.429 22.087 ( 5.091 1.256 0.266) 5.250 22.188 ( 5.596 -0.591 -2.652) 6.221 22.474 ( -7.540 0.309 -0.966) 7.608 22.568 ( -8.027 -1.574 -3.836) 9.035 23.474 ( 1.631 1.479 10.264) 10.497 23.554 ( -1.504 0.931 7.494) 7.700 23.838 ( 9.911 -6.854 3.418) 12.526 24.101 ( -1.676 -11.032 -3.035) 11.564 ======================= Grid point 147 (54/90) ======================= q-point: (-0.50 0.25 0.30) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( -8.556 8.854 10.501) 16.182 2.141 ( 8.556 8.854 10.501) 16.182 2.209 ( -13.267 8.862 12.047) 19.992 2.209 ( 13.267 8.862 12.047) 19.992 2.712 ( -5.224 -2.588 -6.858) 9.002 2.712 ( 5.224 -2.588 -6.858) 9.002 2.851 ( -4.126 12.692 -0.278) 13.349 2.851 ( 4.126 12.692 -0.278) 13.349 3.220 ( -5.882 -3.286 6.636) 9.457 3.220 ( 5.882 -3.286 6.636) 9.457 3.435 ( -3.224 14.933 -4.957) 16.061 3.435 ( 3.224 14.933 -4.957) 16.061 3.632 ( -4.191 3.166 -2.661) 5.889 3.632 ( 4.191 3.166 -2.661) 5.889 4.097 ( -5.182 -5.012 0.711) 7.244 4.097 ( 5.182 -5.012 0.711) 7.244 4.357 ( -4.583 -2.249 -4.537) 6.830 4.357 ( 4.583 -2.249 -4.537) 6.830 4.571 ( -2.698 -0.443 6.011) 6.604 4.571 ( 2.698 -0.443 6.011) 6.604 4.717 ( -3.573 -0.800 3.805) 5.281 4.717 ( 3.573 -0.800 3.805) 5.281 4.938 ( -1.321 8.039 -5.481) 9.819 4.938 ( 1.321 8.039 -5.481) 9.819 5.193 ( -2.034 3.390 -5.623) 6.873 5.193 ( 2.034 3.390 -5.623) 6.873 5.774 ( -4.082 -3.490 -2.314) 5.848 5.774 ( 4.082 -3.490 -2.314) 5.848 6.173 ( -2.061 0.886 -2.176) 3.125 6.173 ( 2.061 0.886 -2.176) 3.125 6.432 ( -3.556 6.502 0.274) 7.416 6.432 ( 3.556 6.502 0.274) 7.416 6.541 ( -5.703 2.613 -0.483) 6.292 6.541 ( 5.703 2.613 -0.483) 6.292 6.941 ( -1.571 -3.823 -4.545) 6.144 6.941 ( 1.571 -3.823 -4.545) 6.144 7.255 ( -2.044 3.137 -4.482) 5.840 7.255 ( 2.044 3.137 -4.482) 5.840 7.706 ( -1.531 -14.477 -0.134) 14.558 7.706 ( 1.531 -14.477 -0.134) 14.558 8.052 ( -3.151 -0.867 3.027) 4.454 8.052 ( 3.151 -0.867 3.027) 4.454 8.377 ( -4.247 1.853 1.688) 4.931 8.377 ( 4.247 1.853 1.688) 4.931 8.511 ( -1.322 -7.313 -1.045) 7.505 8.511 ( 1.322 -7.313 -1.045) 7.505 8.729 ( -0.955 -3.116 -2.795) 4.293 8.729 ( 0.955 -3.116 -2.795) 4.293 9.437 ( -0.555 9.504 -1.453) 9.630 9.437 ( 0.555 9.504 -1.453) 9.630 10.428 ( -1.673 -7.920 -7.846) 11.274 10.428 ( 1.673 -7.920 -7.846) 11.274 10.849 ( -0.384 2.110 -1.641) 2.701 10.849 ( 0.384 2.110 -1.641) 2.701 11.188 ( -2.068 -4.827 -0.388) 5.266 11.188 ( 2.068 -4.827 -0.388) 5.266 11.682 ( -0.677 5.343 -2.833) 6.085 11.682 ( 0.677 5.343 -2.833) 6.085 12.270 ( -6.832 2.223 -1.711) 7.385 12.270 ( 6.832 2.223 -1.711) 7.385 12.315 ( -8.223 7.301 -2.212) 11.217 12.315 ( 8.223 7.301 -2.212) 11.217 12.920 ( -6.768 -2.664 8.240) 10.991 12.920 ( 6.768 -2.664 8.240) 10.991 14.515 ( -10.016 3.478 9.813) 14.447 14.515 ( 10.016 3.478 9.813) 14.447 15.365 ( -5.219 -14.979 -1.409) 15.925 15.365 ( 5.219 -14.979 -1.409) 15.925 18.913 ( -0.576 13.051 0.176) 13.065 18.913 ( 0.576 13.051 0.176) 13.065 19.161 ( -5.433 17.749 -5.941) 19.490 19.161 ( 5.433 17.749 -5.941) 19.490 20.482 ( -5.207 -2.388 2.195) 6.135 20.482 ( 5.207 -2.388 2.195) 6.135 20.956 ( -6.900 -6.649 -6.022) 11.317 20.956 ( 6.900 -6.649 -6.022) 11.317 22.245 ( -7.229 1.327 -2.251) 7.687 22.245 ( 7.229 1.327 -2.251) 7.687 22.382 ( -6.743 -1.497 -2.492) 7.343 22.382 ( 6.743 -1.497 -2.492) 7.343 23.521 ( -1.953 1.993 8.562) 9.005 23.521 ( 1.953 1.993 8.562) 9.005 24.020 ( -6.022 -9.877 0.089) 11.569 24.020 ( 6.022 -9.877 0.089) 11.569 ======================= Grid point 150 (55/90) ======================= q-point: ( 0.00 0.38 0.30) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( 0.000 13.125 12.545) 18.156 2.118 ( 0.000 13.576 14.564) 19.910 2.496 ( 0.000 -1.065 5.167) 5.275 2.644 ( 0.000 -0.192 4.409) 4.414 2.654 ( 0.000 -10.447 5.375) 11.749 2.897 ( 0.000 9.299 2.066) 9.526 2.900 ( 0.000 -1.135 -3.285) 3.475 3.059 ( 0.000 -4.220 3.892) 5.741 3.264 ( 0.000 12.072 0.926) 12.108 3.381 ( 0.000 6.714 -3.195) 7.436 3.434 ( 0.000 8.572 3.038) 9.094 3.659 ( 0.000 3.356 -1.725) 3.774 3.750 ( 0.000 8.964 -3.917) 9.783 3.753 ( 0.000 3.611 3.571) 5.079 3.865 ( 0.000 8.162 -6.867) 10.666 4.061 ( 0.000 -1.881 -1.926) 2.693 4.087 ( 0.000 0.464 -4.929) 4.951 4.325 ( 0.000 -9.158 3.639) 9.855 4.465 ( 0.000 -8.209 -0.496) 8.224 4.547 ( 0.000 -11.038 -1.565) 11.148 4.808 ( 0.000 6.518 4.305) 7.811 4.822 ( 0.000 1.378 6.530) 6.674 4.945 ( 0.000 -1.996 0.685) 2.110 5.093 ( 0.000 -4.205 0.119) 4.206 5.331 ( 0.000 11.571 -11.519) 16.327 5.338 ( 0.000 10.070 -7.877) 12.785 5.642 ( 0.000 1.219 -7.202) 7.305 5.840 ( 0.000 -7.439 -6.072) 9.603 6.036 ( 0.000 6.531 -3.813) 7.563 6.239 ( 0.000 -0.824 -9.956) 9.991 6.365 ( 0.000 0.227 -1.731) 1.745 6.379 ( 0.000 -2.187 0.552) 2.256 6.667 ( 0.000 3.513 -1.075) 3.673 6.818 ( 0.000 1.522 -7.134) 7.294 6.878 ( 0.000 4.741 2.265) 5.255 6.985 ( 0.000 4.796 5.032) 6.952 7.214 ( 0.000 -4.137 -4.770) 6.314 7.228 ( 0.000 -6.905 -2.605) 7.380 7.471 ( 0.000 -5.570 1.726) 5.832 7.507 ( 0.000 -9.516 -1.162) 9.587 8.096 ( 0.000 -1.791 -1.138) 2.122 8.096 ( 0.000 0.989 1.290) 1.625 8.266 ( 0.000 4.069 2.408) 4.728 8.284 ( 0.000 -3.323 2.863) 4.386 8.302 ( 0.000 -5.882 0.995) 5.966 8.598 ( 0.000 -6.504 -1.514) 6.678 8.678 ( 0.000 2.900 1.090) 3.098 8.755 ( 0.000 0.307 0.351) 0.466 9.629 ( 0.000 10.434 -5.125) 11.625 9.646 ( 0.000 12.150 -1.259) 12.215 10.102 ( 0.000 -10.805 -5.107) 11.951 10.242 ( 0.000 -12.944 -5.957) 14.248 10.890 ( 0.000 3.905 -0.937) 4.016 10.979 ( 0.000 7.043 -3.317) 7.784 11.090 ( 0.000 -6.319 2.107) 6.661 11.240 ( 0.000 -5.659 -4.607) 7.297 11.730 ( 0.000 5.631 -4.449) 7.177 11.846 ( 0.000 4.098 -1.459) 4.350 12.041 ( 0.000 4.807 -2.593) 5.462 12.076 ( 0.000 0.623 -4.072) 4.119 12.371 ( 0.000 -3.121 1.732) 3.570 12.423 ( 0.000 -3.655 5.065) 6.246 13.086 ( 0.000 8.412 3.528) 9.121 13.230 ( 0.000 0.375 4.039) 4.056 14.349 ( 0.000 7.691 8.709) 11.619 14.695 ( 0.000 -8.713 0.562) 8.731 14.993 ( 0.000 -3.245 7.696) 8.352 15.221 ( 0.000 -12.669 0.246) 12.671 19.185 ( 0.000 14.632 -1.383) 14.698 19.210 ( 0.000 11.410 -0.439) 11.418 19.286 ( 0.000 10.736 -1.721) 10.873 19.587 ( 0.000 1.541 -11.633) 11.735 20.277 ( 0.000 0.898 -2.768) 2.910 20.357 ( 0.000 -3.149 -2.140) 3.807 20.941 ( 0.000 -2.832 -4.608) 5.409 20.972 ( 0.000 -5.853 -3.322) 6.730 22.058 ( 0.000 1.230 0.697) 1.414 22.105 ( 0.000 -0.953 -0.447) 1.052 22.577 ( 0.000 0.891 -1.543) 1.782 22.634 ( 0.000 -1.860 -3.329) 3.813 23.469 ( 0.000 0.644 10.900) 10.919 23.554 ( 0.000 -4.047 9.192) 10.044 23.662 ( 0.000 3.396 4.589) 5.709 23.911 ( 0.000 -9.330 -0.788) 9.364 ======================= Grid point 151 (56/90) ======================= q-point: ( 0.25 0.38 0.30) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( 6.599 10.712 9.772) 15.931 2.187 ( 6.023 12.705 12.594) 18.876 2.467 ( -3.147 4.231 3.569) 6.367 2.563 ( -3.358 -3.102 1.355) 4.768 2.657 ( -5.733 0.932 5.807) 8.214 2.772 ( -4.387 -5.366 2.616) 7.408 2.873 ( -7.002 -0.239 0.295) 7.013 2.946 ( -5.203 -8.305 -1.120) 9.864 3.284 ( 2.487 14.660 2.728) 15.118 3.366 ( -0.310 8.461 6.570) 10.717 3.573 ( 8.408 5.995 -1.109) 10.386 3.649 ( 0.883 4.454 -1.108) 4.674 3.761 ( 2.415 10.368 -5.154) 11.827 3.779 ( -2.829 10.699 -5.145) 12.204 3.908 ( 5.075 0.894 3.330) 6.135 4.061 ( -0.188 -2.962 -1.841) 3.493 4.186 ( 6.064 -1.715 -5.920) 8.647 4.324 ( -0.078 -5.862 0.539) 5.887 4.444 ( -0.739 -8.281 0.877) 8.360 4.531 ( -1.474 -9.867 -1.643) 10.111 4.768 ( -1.659 6.411 6.606) 9.354 4.824 ( -1.129 3.903 5.917) 7.178 4.970 ( 1.626 -2.176 0.470) 2.757 5.065 ( -2.234 -3.307 0.253) 3.999 5.329 ( 0.366 12.128 -10.126) 15.804 5.349 ( 0.340 10.676 -9.304) 14.166 5.664 ( 1.521 -0.713 -7.001) 7.199 5.773 ( -4.254 -5.649 -5.574) 9.004 6.101 ( 4.634 2.396 -4.478) 6.875 6.212 ( -0.926 0.400 -8.395) 8.455 6.388 ( 1.814 -2.087 0.377) 2.790 6.452 ( 3.467 -1.221 -3.738) 5.242 6.647 ( -1.224 5.501 -0.646) 5.672 6.794 ( -3.842 9.321 -0.359) 10.088 6.851 ( 0.728 -2.458 -2.177) 3.363 6.970 ( -1.777 3.811 4.018) 5.816 7.213 ( 1.251 -3.581 -2.894) 4.771 7.266 ( 2.298 -5.524 -4.244) 7.335 7.430 ( -2.857 -8.766 1.366) 9.320 7.482 ( -2.472 -10.566 -1.921) 11.020 8.047 ( -0.534 2.370 1.612) 2.915 8.130 ( -1.346 0.683 -0.122) 1.514 8.266 ( 1.709 -3.712 1.705) 4.428 8.314 ( 1.762 -4.519 1.417) 5.054 8.364 ( 4.479 0.540 1.334) 4.704 8.609 ( -0.074 -2.393 -0.257) 2.408 8.625 ( -3.314 -0.251 0.664) 3.389 8.726 ( -2.487 -0.976 0.196) 2.679 9.630 ( 0.456 11.349 -3.614) 11.920 9.656 ( 0.262 12.186 -2.862) 12.521 10.137 ( 2.843 -12.330 -5.623) 13.846 10.237 ( -0.662 -13.573 -6.136) 14.910 10.895 ( 0.519 3.812 -1.281) 4.055 10.956 ( -1.805 5.993 -2.864) 6.883 11.081 ( -0.358 -5.535 1.101) 5.655 11.181 ( -4.305 -4.997 -3.236) 7.347 11.771 ( 2.977 6.804 -4.463) 8.664 11.832 ( -0.249 6.932 -2.348) 7.323 12.108 ( 2.726 -3.336 -4.256) 6.056 12.163 ( 5.398 -1.317 -5.878) 8.089 12.351 ( 2.780 3.212 6.004) 7.354 12.517 ( 6.668 -0.701 3.340) 7.491 12.955 ( -10.305 5.772 5.332) 12.959 13.098 ( -10.681 -1.035 4.673) 11.704 14.445 ( 7.572 8.146 8.365) 13.917 14.713 ( -0.292 -0.648 2.964) 3.048 14.990 ( 1.095 -9.284 5.337) 10.764 15.179 ( -3.685 -13.330 0.381) 13.835 19.180 ( -0.302 13.922 -1.028) 13.963 19.194 ( -0.944 12.676 -0.496) 12.721 19.326 ( 3.182 9.078 -2.858) 10.035 19.524 ( -4.764 3.357 -9.312) 10.985 20.339 ( 5.410 1.488 -1.566) 5.825 20.446 ( 6.311 -1.909 -2.550) 7.069 20.820 ( -6.762 -3.678 -2.435) 8.073 20.945 ( -4.816 -7.804 -5.476) 10.681 22.116 ( 5.360 1.561 -0.172) 5.586 22.172 ( 5.637 -1.097 -1.747) 6.002 22.485 ( -7.636 0.825 -1.574) 7.840 22.536 ( -7.798 -1.650 -3.152) 8.572 23.510 ( 3.363 2.251 9.769) 10.575 23.583 ( 1.238 1.441 7.130) 7.378 23.722 ( 4.877 -3.912 5.508) 8.332 23.896 ( -1.638 -9.473 0.674) 9.637 ======================= Grid point 152 (57/90) ======================= q-point: (-0.50 0.38 0.30) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.315 ( -7.627 9.192 5.034) 12.961 2.315 ( 7.627 9.192 5.034) 12.961 2.389 ( -10.364 9.511 8.789) 16.587 2.389 ( 10.364 9.511 8.789) 16.587 2.628 ( -6.541 -5.719 -2.373) 9.007 2.628 ( 6.541 -5.719 -2.373) 9.007 2.852 ( -3.649 -10.464 2.724) 11.412 2.852 ( 3.649 -10.464 2.724) 11.412 3.342 ( -2.016 13.815 6.555) 15.424 3.342 ( 2.016 13.815 6.555) 15.424 3.681 ( -2.091 5.083 -1.000) 5.586 3.681 ( 2.091 5.083 -1.000) 5.586 3.767 ( -3.128 10.360 -5.510) 12.144 3.767 ( 3.128 10.360 -5.510) 12.144 4.006 ( -4.174 -2.241 0.944) 4.831 4.006 ( 4.174 -2.241 0.944) 4.831 4.299 ( -3.390 -3.130 -4.405) 6.379 4.299 ( 3.390 -3.130 -4.405) 6.379 4.473 ( -3.344 -8.330 0.837) 9.015 4.473 ( 3.344 -8.330 0.837) 9.015 4.776 ( -2.351 6.173 6.703) 9.411 4.776 ( 2.351 6.173 6.703) 9.411 5.011 ( -2.284 -1.974 0.394) 3.045 5.011 ( 2.284 -1.974 0.394) 3.045 5.345 ( -0.719 11.918 -9.498) 15.256 5.345 ( 0.719 11.918 -9.498) 15.256 5.700 ( -2.164 -4.612 -6.468) 8.234 5.700 ( 2.164 -4.612 -6.468) 8.234 6.191 ( -2.423 2.403 -5.033) 6.081 6.191 ( 2.423 2.403 -5.033) 6.081 6.437 ( -3.246 -4.530 -3.816) 6.754 6.437 ( 3.246 -4.530 -3.816) 6.754 6.692 ( -4.718 9.339 1.016) 10.513 6.692 ( 4.718 9.339 1.016) 10.513 6.906 ( -3.465 0.390 0.523) 3.526 6.906 ( 3.465 0.390 0.523) 3.526 7.270 ( -2.755 -1.385 -2.176) 3.774 7.270 ( 2.755 -1.385 -2.176) 3.774 7.415 ( -2.530 -13.742 -1.839) 14.093 7.415 ( 2.530 -13.742 -1.839) 14.093 8.074 ( -2.576 3.316 1.628) 4.503 8.074 ( 2.576 3.316 1.628) 4.503 8.313 ( -1.737 -7.094 -0.107) 7.304 8.313 ( 1.737 -7.094 -0.107) 7.304 8.492 ( -6.443 3.874 2.197) 7.832 8.492 ( 6.443 3.874 2.197) 7.832 8.661 ( -2.898 -3.812 -0.379) 4.804 8.661 ( 2.898 -3.812 -0.379) 4.804 9.648 ( -0.884 12.224 -3.265) 12.684 9.648 ( 0.884 12.224 -3.265) 12.684 10.202 ( -2.545 -14.046 -6.236) 15.577 10.202 ( 2.545 -14.046 -6.236) 15.577 10.917 ( -1.487 4.339 -2.033) 5.017 10.917 ( 1.487 4.339 -2.033) 5.017 11.099 ( -2.402 -4.518 -0.965) 5.206 11.099 ( 2.402 -4.518 -0.965) 5.206 11.824 ( -1.248 8.611 -3.720) 9.463 11.824 ( 1.248 8.611 -3.720) 9.463 12.164 ( -2.402 -7.426 -4.670) 9.095 12.164 ( 2.402 -7.426 -4.670) 9.095 12.553 ( -9.569 11.207 2.475) 14.943 12.553 ( 9.569 11.207 2.475) 14.943 12.852 ( -7.938 -4.506 7.464) 11.791 12.852 ( 7.938 -4.506 7.464) 11.791 14.622 ( -7.301 7.663 7.187) 12.793 14.622 ( 7.301 7.663 7.187) 12.793 15.073 ( -5.361 -14.445 1.306) 15.463 15.073 ( 5.361 -14.445 1.306) 15.463 19.180 ( -0.321 13.353 -0.658) 13.373 19.180 ( 0.321 13.353 -0.658) 13.373 19.414 ( -4.737 6.425 -5.603) 9.753 19.414 ( 4.737 6.425 -5.603) 9.753 20.478 ( -5.277 3.057 -0.239) 6.103 20.478 ( 5.277 3.057 -0.239) 6.103 20.797 ( -6.152 -9.332 -5.265) 12.355 20.797 ( 6.152 -9.332 -5.265) 12.355 22.275 ( -6.940 1.769 -2.136) 7.473 22.275 ( 6.940 1.769 -2.136) 7.473 22.349 ( -6.651 -1.843 -2.261) 7.263 22.349 ( 6.651 -1.843 -2.261) 7.263 23.577 ( -1.919 3.943 7.587) 8.763 23.577 ( 1.919 3.943 7.587) 8.763 23.831 ( -4.270 -8.970 3.666) 10.589 23.831 ( 4.270 -8.970 3.666) 10.589 ======================= Grid point 155 (58/90) ======================= q-point: ( 0.00 -0.50 0.30) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.290 ( 0.000 -7.699 9.582) 12.291 2.290 ( 0.000 7.699 9.582) 12.291 2.424 ( 0.000 -9.215 7.394) 11.815 2.424 ( 0.000 9.215 7.394) 11.815 2.774 ( 0.000 -9.167 1.723) 9.328 2.774 ( 0.000 9.167 1.723) 9.328 3.008 ( 0.000 -2.843 1.824) 3.378 3.008 ( 0.000 2.843 1.824) 3.378 3.431 ( 0.000 -3.544 -3.541) 5.010 3.431 ( 0.000 3.544 -3.541) 5.010 3.584 ( 0.000 -5.672 6.048) 8.291 3.584 ( 0.000 5.672 6.048) 8.291 3.817 ( 0.000 -1.344 -5.211) 5.382 3.817 ( 0.000 1.344 -5.211) 5.382 4.016 ( 0.000 -8.803 -2.068) 9.042 4.016 ( 0.000 8.803 -2.068) 9.042 4.220 ( 0.000 -3.578 -0.338) 3.594 4.220 ( 0.000 3.578 -0.338) 3.594 4.343 ( 0.000 -3.023 0.274) 3.036 4.343 ( 0.000 3.023 0.274) 3.036 4.874 ( 0.000 -3.215 1.546) 3.567 4.874 ( 0.000 3.215 1.546) 3.567 4.963 ( 0.000 -7.441 5.104) 9.023 4.963 ( 0.000 7.441 5.104) 9.023 5.470 ( 0.000 -0.184 -11.522) 11.523 5.470 ( 0.000 0.184 -11.522) 11.523 5.699 ( 0.000 -5.698 -6.709) 8.802 5.699 ( 0.000 5.698 -6.709) 8.802 6.197 ( 0.000 -7.121 -10.678) 12.835 6.197 ( 0.000 7.121 -10.678) 12.835 6.331 ( 0.000 -1.377 0.518) 1.471 6.331 ( 0.000 1.377 0.518) 1.471 6.753 ( 0.000 -5.181 -2.853) 5.915 6.753 ( 0.000 5.181 -2.853) 5.915 7.029 ( 0.000 -6.716 2.350) 7.115 7.029 ( 0.000 6.716 2.350) 7.115 7.108 ( 0.000 -2.508 -1.387) 2.866 7.108 ( 0.000 2.508 -1.387) 2.866 7.429 ( 0.000 -0.268 -0.608) 0.664 7.429 ( 0.000 0.268 -0.608) 0.664 8.106 ( 0.000 -1.493 -0.146) 1.501 8.106 ( 0.000 1.493 -0.146) 1.501 8.211 ( 0.000 -1.970 2.152) 2.917 8.211 ( 0.000 1.970 2.152) 2.917 8.439 ( 0.000 -8.779 1.388) 8.888 8.439 ( 0.000 8.779 1.388) 8.888 8.738 ( 0.000 -2.137 1.155) 2.429 8.738 ( 0.000 2.137 1.155) 2.429 9.814 ( 0.000 -4.403 -4.617) 6.380 9.814 ( 0.000 4.403 -4.617) 6.380 9.986 ( 0.000 -8.177 -4.098) 9.146 9.986 ( 0.000 8.177 -4.098) 9.146 10.978 ( 0.000 -4.994 0.129) 4.995 10.978 ( 0.000 4.994 0.129) 4.995 11.118 ( 0.000 -6.663 -3.997) 7.770 11.118 ( 0.000 6.663 -3.997) 7.770 11.837 ( 0.000 -4.252 -4.555) 6.232 11.837 ( 0.000 4.252 -4.555) 6.232 12.095 ( 0.000 -0.276 -4.361) 4.369 12.095 ( 0.000 0.276 -4.361) 4.369 12.353 ( 0.000 -1.991 6.807) 7.092 12.353 ( 0.000 1.991 6.807) 7.092 13.205 ( 0.000 -3.462 3.167) 4.692 13.205 ( 0.000 3.462 3.167) 4.692 14.517 ( 0.000 -9.188 4.497) 10.230 14.517 ( 0.000 9.188 4.497) 10.230 15.027 ( 0.000 -6.398 3.929) 7.508 15.027 ( 0.000 6.398 3.929) 7.508 19.356 ( 0.000 -1.822 -1.136) 2.148 19.356 ( 0.000 1.822 -1.136) 2.148 19.467 ( 0.000 -11.073 -4.554) 11.973 19.467 ( 0.000 11.073 -4.554) 11.973 20.315 ( 0.000 -1.785 -4.421) 4.767 20.315 ( 0.000 1.785 -4.421) 4.767 20.907 ( 0.000 -0.307 -4.353) 4.364 20.907 ( 0.000 0.307 -4.353) 4.364 22.083 ( 0.000 -1.264 0.160) 1.274 22.083 ( 0.000 1.264 0.160) 1.274 22.600 ( 0.000 -1.471 -2.346) 2.769 22.600 ( 0.000 1.471 -2.346) 2.769 23.494 ( 0.000 -2.072 10.464) 10.667 23.494 ( 0.000 2.072 10.464) 10.667 23.757 ( 0.000 -6.394 2.196) 6.760 23.757 ( 0.000 6.394 2.196) 6.760 ======================= Grid point 157 (59/90) ======================= q-point: ( 0.25 -0.50 0.30) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.323 ( 3.852 -8.218 5.449) 10.586 2.323 ( 3.852 8.218 5.449) 10.586 2.467 ( 3.736 -10.896 6.895) 13.425 2.467 ( 3.736 10.896 6.895) 13.425 2.708 ( -5.623 -8.490 2.296) 10.439 2.708 ( -5.623 8.490 2.296) 10.439 2.840 ( -12.688 -1.507 2.231) 12.970 2.840 ( -12.688 1.507 2.231) 12.970 3.489 ( 5.174 -3.070 -0.821) 6.072 3.489 ( 5.174 3.070 -0.821) 6.072 3.609 ( 1.196 -3.539 5.476) 6.629 3.609 ( 1.196 3.539 5.476) 6.629 3.898 ( 4.681 -3.901 -3.225) 6.895 3.898 ( 4.681 3.901 -3.225) 6.895 3.991 ( -1.563 -8.718 -3.783) 9.631 3.991 ( -1.563 8.718 -3.783) 9.631 4.251 ( 2.415 -7.492 1.005) 7.936 4.251 ( 2.415 7.492 1.005) 7.936 4.341 ( -0.326 -6.399 -1.761) 6.645 4.341 ( -0.326 6.399 -1.761) 6.645 4.883 ( 0.860 -4.875 1.758) 5.253 4.883 ( 0.860 4.875 1.758) 5.253 4.949 ( -1.275 -6.800 5.005) 8.539 4.949 ( -1.275 6.800 5.005) 8.539 5.492 ( 2.180 -0.344 -10.686) 10.911 5.492 ( 2.180 0.344 -10.686) 10.911 5.663 ( -3.412 -3.093 -7.195) 8.542 5.663 ( -3.412 3.093 -7.195) 8.542 6.190 ( 2.051 -4.901 -7.764) 9.408 6.190 ( 2.051 4.901 -7.764) 9.408 6.377 ( 0.423 -3.966 -2.396) 4.653 6.377 ( 0.423 3.966 -2.396) 4.653 6.766 ( 2.173 -5.990 -1.952) 6.664 6.766 ( 2.173 5.990 -1.952) 6.664 6.980 ( -4.200 -6.788 2.616) 8.400 6.980 ( -4.200 6.788 2.616) 8.400 7.145 ( 3.450 -1.775 -1.776) 4.268 7.145 ( 3.450 1.775 -1.776) 4.268 7.373 ( -4.640 -1.478 -0.808) 4.936 7.373 ( -4.640 1.478 -0.808) 4.936 8.122 ( 1.674 -4.261 0.505) 4.606 8.122 ( 1.674 4.261 0.505) 4.606 8.215 ( -0.525 -3.346 1.104) 3.562 8.215 ( -0.525 3.346 1.104) 3.562 8.475 ( 3.437 -7.252 1.567) 8.177 8.475 ( 3.437 7.252 1.567) 8.177 8.690 ( -4.063 -2.815 1.269) 5.103 8.690 ( -4.063 2.815 1.269) 5.103 9.846 ( 2.658 -5.858 -4.701) 7.967 9.846 ( 2.658 5.858 -4.701) 7.967 9.969 ( -1.652 -8.177 -4.395) 9.429 9.969 ( -1.652 8.177 -4.395) 9.429 10.980 ( 0.404 -4.739 -0.442) 4.776 10.980 ( 0.404 4.739 -0.442) 4.776 11.074 ( -3.271 -5.795 -3.191) 7.380 11.074 ( -3.271 5.795 -3.191) 7.380 11.889 ( 4.327 -3.256 -4.515) 7.051 11.889 ( 4.327 3.256 -4.515) 7.051 12.085 ( -2.017 -3.238 -4.783) 6.118 12.085 ( -2.017 3.238 -4.783) 6.118 12.452 ( 9.426 -5.117 6.785) 12.692 12.452 ( 9.426 5.117 6.785) 12.692 13.054 ( -12.339 -3.706 3.909) 13.464 13.054 ( -12.339 3.706 3.909) 13.464 14.619 ( 8.074 -8.735 4.313) 12.653 14.619 ( 8.074 8.735 4.313) 12.653 14.969 ( -5.110 -6.864 4.005) 9.448 14.969 ( -5.110 6.864 4.005) 9.448 19.365 ( 0.872 -3.852 -1.550) 4.243 19.365 ( 0.872 3.852 -1.550) 4.243 19.441 ( -2.043 -9.634 -3.915) 10.598 19.441 ( -2.043 9.634 -3.915) 10.598 20.403 ( 7.449 -3.495 -4.092) 9.190 20.403 ( 7.449 3.495 -4.092) 9.190 20.816 ( -7.666 -4.071 -3.796) 9.474 20.816 ( -7.666 4.071 -3.796) 9.474 22.146 ( 5.560 -1.491 -0.863) 5.821 22.146 ( 5.560 1.491 -0.863) 5.821 22.506 ( -7.677 -1.339 -2.347) 8.138 22.506 ( -7.677 1.339 -2.347) 8.138 23.562 ( 5.263 -2.882 8.944) 10.770 23.562 ( 5.263 2.882 8.944) 10.770 23.744 ( -1.486 -5.585 3.397) 6.704 23.744 ( -1.486 5.585 3.397) 6.704 ======================= Grid point 159 (60/90) ======================= q-point: (-0.50 -0.50 0.30) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.480 ( -8.759 -6.899 -0.504) 11.161 2.480 ( 8.509 -6.820 -0.504) 10.917 2.480 ( -8.509 6.820 -0.504) 10.917 2.480 ( 8.759 6.899 -0.504) 11.161 2.618 ( -5.147 -11.438 7.474) 14.601 2.618 ( 5.132 -11.437 7.474) 14.594 2.618 ( -5.132 11.437 7.474) 14.594 2.618 ( 5.147 11.438 7.474) 14.601 3.594 ( -1.346 -10.431 3.565) 11.105 3.594 ( 0.517 -10.412 3.565) 11.018 3.594 ( -0.517 10.412 3.565) 11.018 3.594 ( 1.346 10.431 3.565) 11.105 3.962 ( -1.233 -6.569 -3.601) 7.592 3.962 ( 1.105 -6.563 -3.601) 7.567 3.962 ( -1.105 6.563 -3.601) 7.567 3.962 ( 1.233 6.569 -3.601) 7.592 4.312 ( -2.262 -6.088 -1.061) 6.581 4.312 ( 1.968 -6.062 -1.061) 6.461 4.312 ( -1.968 6.062 -1.061) 6.461 4.312 ( 2.262 6.088 -1.061) 6.581 4.912 ( -1.601 -6.881 3.482) 7.877 4.912 ( 1.506 -6.876 3.482) 7.853 4.912 ( -1.506 6.876 3.482) 7.853 4.912 ( 1.601 6.881 3.482) 7.877 5.568 ( -1.108 -9.132 -8.834) 12.754 5.568 ( -0.952 -9.128 -8.834) 12.739 5.568 ( 0.952 9.128 -8.834) 12.739 5.568 ( 1.108 9.132 -8.834) 12.754 6.297 ( -4.358 -7.587 -5.193) 10.174 6.297 ( 0.567 -7.273 -5.193) 8.955 6.297 ( -0.567 7.273 -5.193) 8.955 6.297 ( 4.358 7.587 -5.193) 10.175 6.864 ( -5.773 -6.811 0.794) 8.964 6.864 ( 5.768 -6.810 0.794) 8.960 6.864 ( -5.768 6.810 0.794) 8.960 6.864 ( 5.773 6.811 0.794) 8.964 7.251 ( -5.653 -1.887 -1.283) 6.096 7.251 ( -4.410 0.660 -1.283) 4.640 7.251 ( 4.410 -0.660 -1.283) 4.640 7.251 ( 5.653 1.887 -1.283) 6.096 8.175 ( -2.303 -6.505 0.709) 6.937 8.175 ( 1.855 -6.469 0.709) 6.767 8.175 ( -1.855 6.469 0.709) 6.767 8.175 ( 2.303 6.505 0.709) 6.937 8.579 ( -5.444 -4.541 1.458) 7.238 8.579 ( 5.389 -4.525 1.458) 7.186 8.579 ( -5.389 4.525 1.458) 7.186 8.579 ( 5.444 4.541 1.458) 7.238 9.914 ( -1.849 -14.656 -4.734) 15.512 9.914 ( 1.363 -14.643 -4.734) 15.449 9.914 ( -1.363 14.643 -4.734) 15.449 9.914 ( 1.849 14.656 -4.734) 15.512 11.008 ( -2.280 -4.788 -1.737) 5.581 11.008 ( 2.264 -4.787 -1.737) 5.573 11.008 ( -2.264 4.787 -1.737) 5.573 11.008 ( 2.280 4.788 -1.737) 5.581 12.000 ( -2.621 -8.751 -4.474) 10.172 12.000 ( 0.016 -8.652 -4.474) 9.740 12.000 ( -0.016 8.652 -4.474) 9.740 12.000 ( 2.621 8.751 -4.474) 10.172 12.736 ( -13.508 -6.712 5.345) 16.002 12.736 ( -6.803 -3.317 5.345) 9.266 12.736 ( 6.803 3.317 5.345) 9.266 12.736 ( 13.508 6.712 5.345) 16.002 14.814 ( -6.979 -11.470 4.136) 14.049 14.814 ( 3.229 -11.045 4.136) 12.228 14.814 ( -3.229 11.045 4.136) 12.228 14.814 ( 6.979 11.470 4.136) 14.049 19.395 ( -1.743 -7.402 -2.631) 8.046 19.395 ( 1.670 -7.398 -2.631) 8.027 19.395 ( -1.670 7.398 -2.631) 8.027 19.395 ( 1.743 7.402 -2.631) 8.046 20.608 ( -8.205 -8.718 -3.538) 12.484 20.608 ( -0.165 -7.693 -3.538) 8.470 20.608 ( 0.165 7.693 -3.538) 8.470 20.608 ( 8.205 8.718 -3.538) 12.484 22.312 ( -8.758 -1.688 -2.124) 9.169 22.312 ( -8.253 0.837 -2.124) 8.563 22.312 ( 8.253 -0.837 -2.124) 8.563 22.312 ( 8.758 1.688 -2.124) 9.169 23.679 ( -3.508 -6.326 6.067) 9.442 23.679 ( 1.521 -6.126 6.067) 8.755 23.679 ( -1.521 6.126 6.067) 8.755 23.679 ( 3.508 6.326 6.067) 9.442 ======================= Grid point 180 (61/90) ======================= q-point: ( 0.00 0.00 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( 0.000 0.000 20.762) 20.762 2.037 ( 0.000 0.000 21.415) 21.415 2.189 ( 0.000 0.000 6.089) 6.089 2.265 ( 0.000 0.000 -1.053) 1.053 2.485 ( 0.000 0.000 2.688) 2.688 2.555 ( 0.000 0.000 -10.137) 10.137 2.720 ( 0.000 0.000 -4.038) 4.038 2.826 ( 0.000 0.000 6.871) 6.871 2.901 ( 0.000 0.000 -13.654) 13.654 3.043 ( 0.000 0.000 -2.352) 2.352 3.066 ( 0.000 0.000 -5.784) 5.784 3.101 ( 0.000 0.000 -2.573) 2.573 3.676 ( 0.000 0.000 5.261) 5.261 3.694 ( 0.000 0.000 1.164) 1.164 3.982 ( 0.000 0.000 4.833) 4.833 4.117 ( 0.000 0.000 -3.080) 3.080 4.349 ( 0.000 0.000 -4.083) 4.083 4.492 ( 0.000 0.000 -7.295) 7.295 4.501 ( 0.000 0.000 -4.301) 4.301 4.563 ( 0.000 0.000 -2.975) 2.975 4.591 ( 0.000 0.000 -4.096) 4.096 4.629 ( 0.000 0.000 -3.398) 3.398 5.017 ( 0.000 0.000 8.960) 8.960 5.032 ( 0.000 0.000 4.492) 4.492 5.097 ( 0.000 0.000 0.949) 0.949 5.523 ( 0.000 0.000 5.495) 5.495 5.898 ( 0.000 0.000 8.284) 8.284 5.994 ( 0.000 0.000 -5.441) 5.441 6.130 ( 0.000 0.000 6.796) 6.796 6.139 ( 0.000 0.000 -0.653) 0.653 6.181 ( 0.000 0.000 -1.297) 1.297 6.190 ( 0.000 0.000 4.503) 4.503 6.293 ( 0.000 0.000 1.936) 1.936 6.507 ( 0.000 0.000 -12.401) 12.401 6.889 ( 0.000 0.000 -3.931) 3.931 6.906 ( 0.000 0.000 -5.518) 5.518 6.925 ( 0.000 0.000 -4.816) 4.816 7.019 ( 0.000 0.000 -9.709) 9.709 8.079 ( 0.000 0.000 12.444) 12.444 8.130 ( 0.000 0.000 3.881) 3.881 8.150 ( 0.000 0.000 0.562) 0.562 8.250 ( 0.000 0.000 -2.937) 2.937 8.270 ( 0.000 0.000 -1.297) 1.297 8.491 ( 0.000 0.000 3.631) 3.631 8.560 ( 0.000 0.000 -12.384) 12.384 8.614 ( 0.000 0.000 -2.941) 2.941 8.694 ( 0.000 0.000 -1.481) 1.481 8.696 ( 0.000 0.000 -2.449) 2.449 9.188 ( 0.000 0.000 5.088) 5.088 9.273 ( 0.000 0.000 1.589) 1.589 10.343 ( 0.000 0.000 -1.474) 1.474 10.443 ( 0.000 0.000 -6.677) 6.677 10.727 ( 0.000 0.000 -0.239) 0.239 10.735 ( 0.000 0.000 -0.671) 0.671 11.359 ( 0.000 0.000 -1.151) 1.151 11.417 ( 0.000 0.000 -4.197) 4.197 11.546 ( 0.000 0.000 4.051) 4.051 11.723 ( 0.000 0.000 7.799) 7.799 11.741 ( 0.000 0.000 -4.814) 4.814 11.984 ( 0.000 0.000 -5.549) 5.549 12.193 ( 0.000 0.000 5.022) 5.022 12.400 ( 0.000 0.000 -5.389) 5.389 13.066 ( 0.000 0.000 8.267) 8.267 13.227 ( 0.000 0.000 -0.329) 0.329 14.411 ( 0.000 0.000 14.697) 14.697 14.865 ( 0.000 0.000 -8.372) 8.372 15.618 ( 0.000 0.000 0.505) 0.505 15.722 ( 0.000 0.000 -5.010) 5.010 18.602 ( 0.000 0.000 0.750) 0.750 18.628 ( 0.000 0.000 0.662) 0.662 18.631 ( 0.000 0.000 -0.716) 0.716 18.653 ( 0.000 0.000 -0.596) 0.596 20.468 ( 0.000 0.000 1.462) 1.462 20.520 ( 0.000 0.000 -0.924) 0.924 21.021 ( 0.000 0.000 1.148) 1.148 21.149 ( 0.000 0.000 -4.469) 4.469 22.042 ( 0.000 0.000 1.308) 1.308 22.098 ( 0.000 0.000 -1.534) 1.534 22.557 ( 0.000 0.000 0.349) 0.349 22.628 ( 0.000 0.000 -3.545) 3.545 23.680 ( 0.000 0.000 9.879) 9.879 23.744 ( 0.000 0.000 7.030) 7.030 23.793 ( 0.000 0.000 0.012) 0.012 24.177 ( 0.000 0.000 -12.301) 12.301 ======================= Grid point 181 (62/90) ======================= q-point: ( 0.25 0.00 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( 2.877 0.000 17.788) 18.020 2.145 ( -3.706 0.000 7.814) 8.648 2.145 ( 8.434 0.000 17.877) 19.767 2.307 ( 3.542 0.000 -1.209) 3.743 2.453 ( -3.088 0.000 5.634) 6.425 2.501 ( -3.999 0.000 -6.074) 7.272 2.663 ( -8.391 0.000 -1.615) 8.545 2.733 ( -11.556 0.000 -8.057) 14.088 2.760 ( 2.843 0.000 -7.452) 7.976 2.881 ( -1.823 0.000 -12.866) 12.995 3.256 ( 8.824 0.000 5.964) 10.651 3.378 ( 10.153 0.000 -2.433) 10.440 3.699 ( 2.158 0.000 3.023) 3.714 3.746 ( 4.206 0.000 1.783) 4.568 4.021 ( 3.686 0.000 2.988) 4.745 4.178 ( 4.284 0.000 -4.338) 6.097 4.284 ( -4.144 0.000 -0.208) 4.149 4.478 ( -5.251 0.000 1.409) 5.437 4.513 ( 1.336 0.000 -5.093) 5.265 4.546 ( 2.661 0.000 -10.666) 10.993 4.587 ( -0.389 0.000 -3.393) 3.415 4.637 ( -0.330 0.000 -5.903) 5.912 4.948 ( -4.725 0.000 8.336) 9.582 5.028 ( -2.198 0.000 1.377) 2.593 5.056 ( -1.299 0.000 9.314) 9.404 5.364 ( -11.819 0.000 9.211) 14.984 5.933 ( 3.123 0.000 8.280) 8.850 5.938 ( 1.255 0.000 -7.918) 8.016 6.130 ( -4.113 0.000 -5.638) 6.979 6.135 ( -3.833 0.000 7.598) 8.510 6.166 ( 1.541 0.000 -2.492) 2.930 6.272 ( -1.844 0.000 1.232) 2.217 6.351 ( 11.302 0.000 2.858) 11.657 6.541 ( 1.827 0.000 -8.348) 8.546 6.893 ( 0.256 0.000 -4.267) 4.275 6.904 ( -0.184 0.000 -5.332) 5.336 6.949 ( 1.894 0.000 -5.217) 5.550 7.016 ( -0.461 0.000 -8.661) 8.673 8.092 ( -1.619 0.000 2.757) 3.197 8.135 ( -1.707 0.000 1.715) 2.419 8.136 ( 4.896 0.000 11.480) 12.481 8.237 ( 1.157 0.000 0.308) 1.197 8.307 ( 0.213 0.000 -3.276) 3.283 8.417 ( -5.708 0.000 5.869) 8.187 8.577 ( 1.443 0.000 -11.383) 11.474 8.626 ( 0.229 0.000 -5.333) 5.338 8.721 ( 1.784 0.000 -2.678) 3.218 8.726 ( 2.122 0.000 -3.437) 4.040 9.201 ( 1.120 0.000 4.606) 4.740 9.261 ( -1.013 0.000 2.085) 2.318 10.355 ( 1.039 0.000 -2.117) 2.358 10.425 ( -1.495 0.000 -5.763) 5.954 10.772 ( 3.552 0.000 -0.027) 3.552 10.787 ( 3.995 0.000 -0.936) 4.103 11.303 ( -3.535 0.000 -0.203) 3.541 11.365 ( -4.065 0.000 -4.489) 6.056 11.606 ( 4.011 0.000 1.522) 4.290 11.729 ( -1.125 0.000 -3.915) 4.073 11.754 ( 2.675 0.000 6.522) 7.049 11.928 ( -4.110 0.000 -1.392) 4.340 12.243 ( 3.584 0.000 1.188) 3.776 12.380 ( -1.831 0.000 -4.680) 5.026 13.063 ( 0.151 0.000 7.283) 7.284 13.177 ( -3.924 0.000 1.207) 4.105 14.482 ( 6.059 0.000 12.814) 14.174 14.807 ( -5.280 0.000 -2.900) 6.024 15.610 ( 0.072 0.000 -1.513) 1.515 15.698 ( -2.151 0.000 -5.386) 5.800 18.604 ( 0.194 0.000 0.671) 0.698 18.619 ( -0.447 0.000 0.281) 0.528 18.639 ( 0.400 0.000 -0.304) 0.503 18.652 ( -0.141 0.000 -0.548) 0.566 20.507 ( 4.153 0.000 2.909) 5.071 20.606 ( 5.437 0.000 -1.148) 5.557 20.955 ( -4.064 0.000 0.785) 4.139 21.107 ( -4.448 0.000 -5.835) 7.338 22.077 ( 3.582 0.000 1.069) 3.738 22.141 ( 3.595 0.000 -2.445) 4.348 22.469 ( -6.931 0.000 0.341) 6.939 22.531 ( -7.596 0.000 -3.119) 8.211 23.645 ( -1.005 0.000 9.201) 9.255 23.683 ( -1.347 0.000 6.045) 6.193 23.985 ( 9.817 0.000 -0.771) 9.847 24.195 ( 0.516 0.000 -9.984) 9.998 ======================= Grid point 182 (63/90) ======================= q-point: (-0.50 0.00 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( -4.614 0.000 12.100) 12.950 2.047 ( 4.614 0.000 12.100) 12.950 2.334 ( -7.628 0.000 11.254) 13.596 2.334 ( 7.628 0.000 11.254) 13.596 2.403 ( -4.719 0.000 -2.330) 5.263 2.403 ( 4.719 0.000 -2.330) 5.263 2.582 ( -1.882 0.000 -7.241) 7.482 2.582 ( 1.882 0.000 -7.241) 7.482 2.826 ( -2.973 0.000 -10.740) 11.144 2.826 ( 2.973 0.000 -10.740) 11.144 3.416 ( -4.853 0.000 3.444) 5.951 3.416 ( 4.853 0.000 3.444) 5.951 3.782 ( -2.497 0.000 1.319) 2.823 3.782 ( 2.497 0.000 1.319) 2.823 4.133 ( -5.853 0.000 -1.426) 6.025 4.133 ( 5.853 0.000 -1.426) 6.025 4.339 ( -6.629 0.000 1.574) 6.814 4.339 ( 6.629 0.000 1.574) 6.814 4.560 ( -2.424 0.000 -6.134) 6.596 4.560 ( 2.424 0.000 -6.134) 6.596 4.606 ( -2.312 0.000 -8.874) 9.171 4.606 ( 2.312 0.000 -8.874) 9.171 4.915 ( -3.540 0.000 12.554) 13.044 4.915 ( 3.540 0.000 12.554) 13.044 5.139 ( -7.315 0.000 5.892) 9.393 5.139 ( 7.315 0.000 5.892) 9.393 6.022 ( -5.160 0.000 -8.825) 10.223 6.022 ( 5.160 0.000 -8.825) 10.223 6.027 ( -5.098 0.000 7.908) 9.409 6.027 ( 5.098 0.000 7.908) 9.409 6.219 ( -2.704 0.000 -0.344) 2.726 6.219 ( 2.704 0.000 -0.344) 2.726 6.526 ( -4.080 0.000 -2.186) 4.629 6.526 ( 4.080 0.000 -2.186) 4.629 6.899 ( -0.275 0.000 -4.863) 4.871 6.899 ( 0.275 0.000 -4.863) 4.871 6.992 ( -1.707 0.000 -6.640) 6.856 6.992 ( 1.707 0.000 -6.640) 6.856 8.094 ( -1.539 0.000 2.762) 3.162 8.094 ( 1.539 0.000 2.762) 3.162 8.272 ( -6.917 0.000 9.040) 11.383 8.272 ( 6.917 0.000 9.040) 11.383 8.279 ( -2.151 0.000 -1.568) 2.662 8.279 ( 2.151 0.000 -1.568) 2.662 8.612 ( -1.401 0.000 -8.770) 8.881 8.612 ( 1.401 0.000 -8.770) 8.881 8.749 ( -0.307 0.000 -3.909) 3.921 8.749 ( 0.307 0.000 -3.909) 3.921 9.232 ( -1.521 0.000 3.344) 3.673 9.232 ( 1.521 0.000 3.344) 3.673 10.387 ( -1.764 0.000 -3.809) 4.198 10.387 ( 1.764 0.000 -3.809) 4.198 10.838 ( -0.882 0.000 -0.229) 0.912 10.838 ( 0.882 0.000 -0.229) 0.912 11.278 ( -2.306 0.000 -2.868) 3.680 11.278 ( 2.306 0.000 -2.868) 3.680 11.686 ( -2.893 0.000 -1.488) 3.253 11.686 ( 2.893 0.000 -1.488) 3.253 11.832 ( -4.221 0.000 3.254) 5.329 11.832 ( 4.221 0.000 3.254) 5.329 12.322 ( -3.275 0.000 -2.554) 4.153 12.322 ( 3.275 0.000 -2.554) 4.153 13.093 ( -2.864 0.000 4.497) 5.331 13.093 ( 2.864 0.000 4.497) 5.331 14.649 ( -8.280 0.000 6.833) 10.736 14.649 ( 8.280 0.000 6.833) 10.736 15.641 ( -2.511 0.000 -4.743) 5.367 15.641 ( 2.511 0.000 -4.743) 5.367 18.610 ( -0.357 0.000 0.478) 0.597 18.610 ( 0.357 0.000 0.478) 0.597 18.647 ( -0.288 0.000 -0.428) 0.516 18.647 ( 0.288 0.000 -0.428) 0.516 20.623 ( -4.651 0.000 3.426) 5.776 20.623 ( 4.651 0.000 3.426) 5.776 20.971 ( -6.085 0.000 -5.226) 8.021 20.971 ( 6.085 0.000 -5.226) 8.021 22.182 ( -3.438 0.000 -1.285) 3.671 22.182 ( 3.438 0.000 -1.285) 3.671 22.378 ( -3.167 0.000 -1.244) 3.402 22.378 ( 3.167 0.000 -1.244) 3.402 23.655 ( -1.208 0.000 7.703) 7.797 23.655 ( 1.208 0.000 7.703) 7.797 24.153 ( -4.823 0.000 -5.496) 7.312 24.153 ( 4.823 0.000 -5.496) 7.312 ======================= Grid point 185 (64/90) ======================= q-point: ( 0.00 0.12 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.016 ( 0.000 7.918 19.254) 20.819 2.051 ( 0.000 2.393 19.296) 19.444 2.343 ( 0.000 12.997 5.262) 14.022 2.434 ( 0.000 14.217 -0.389) 14.222 2.514 ( 0.000 4.086 3.497) 5.378 2.669 ( 0.000 10.590 -10.288) 14.765 2.783 ( 0.000 2.694 0.891) 2.837 2.914 ( 0.000 10.852 1.237) 10.922 2.972 ( 0.000 3.908 -11.705) 12.341 3.035 ( 0.000 0.661 -0.995) 1.194 3.084 ( 0.000 -0.197 -0.533) 0.569 3.115 ( 0.000 7.153 -7.014) 10.018 3.635 ( 0.000 -3.451 4.494) 5.666 3.656 ( 0.000 -3.661 0.897) 3.769 3.969 ( 0.000 -1.255 4.515) 4.687 4.104 ( 0.000 -1.738 -4.089) 4.443 4.247 ( 0.000 -7.556 -2.868) 8.082 4.453 ( 0.000 -3.152 -10.137) 10.616 4.565 ( 0.000 3.708 -2.953) 4.740 4.576 ( 0.000 5.717 0.124) 5.719 4.678 ( 0.000 4.934 -3.788) 6.221 4.720 ( 0.000 6.973 -4.875) 8.508 4.991 ( 0.000 -3.624 6.698) 7.615 5.018 ( 0.000 0.052 7.582) 7.582 5.064 ( 0.000 -3.254 1.389) 3.538 5.461 ( 0.000 -5.599 6.256) 8.396 5.777 ( 0.000 -8.954 5.163) 10.336 5.920 ( 0.000 -4.865 -8.967) 10.202 6.072 ( 0.000 -4.631 4.970) 6.793 6.199 ( 0.000 2.792 1.349) 3.101 6.255 ( 0.000 4.479 -0.038) 4.479 6.275 ( 0.000 5.423 1.500) 5.626 6.372 ( 0.000 7.576 -0.781) 7.617 6.496 ( 0.000 0.798 -10.582) 10.612 6.838 ( 0.000 -1.419 -1.628) 2.160 6.929 ( 0.000 2.883 -2.395) 3.748 7.020 ( 0.000 1.267 -7.389) 7.497 7.052 ( 0.000 7.109 -6.267) 9.477 8.013 ( 0.000 -11.079 3.749) 11.696 8.032 ( 0.000 -8.506 3.947) 9.377 8.134 ( 0.000 1.395 7.321) 7.453 8.210 ( 0.000 -3.676 -2.970) 4.726 8.216 ( 0.000 -3.822 -1.408) 4.073 8.506 ( 0.000 -2.806 -1.938) 3.410 8.535 ( 0.000 1.480 -2.790) 3.158 8.613 ( 0.000 -6.495 -0.929) 6.561 8.651 ( 0.000 2.525 -2.225) 3.365 8.678 ( 0.000 -1.314 -4.291) 4.488 9.261 ( 0.000 6.278 3.115) 7.009 9.326 ( 0.000 4.940 1.194) 5.083 10.346 ( 0.000 -0.266 -3.085) 3.096 10.377 ( 0.000 -6.001 -4.870) 7.728 10.756 ( 0.000 2.439 -0.529) 2.495 10.758 ( 0.000 2.296 -0.606) 2.375 11.336 ( 0.000 -2.287 -1.530) 2.752 11.380 ( 0.000 -4.064 -3.076) 5.097 11.597 ( 0.000 4.814 2.653) 5.497 11.645 ( 0.000 -3.372 2.267) 4.063 11.819 ( 0.000 4.715 1.710) 5.016 11.991 ( 0.000 0.645 -5.032) 5.073 12.284 ( 0.000 7.770 1.986) 8.020 12.403 ( 0.000 0.253 -4.063) 4.071 13.064 ( 0.000 0.038 8.442) 8.442 13.232 ( 0.000 0.557 -0.324) 0.644 14.420 ( 0.000 0.940 13.848) 13.879 14.841 ( 0.000 -2.332 -7.568) 7.919 15.503 ( 0.000 -10.440 2.535) 10.743 15.634 ( 0.000 -8.402 -4.764) 9.658 18.706 ( 0.000 8.164 0.625) 8.188 18.721 ( 0.000 10.939 0.889) 10.975 18.731 ( 0.000 8.620 -0.671) 8.646 18.805 ( 0.000 15.096 -3.854) 15.580 20.433 ( 0.000 -3.435 1.568) 3.776 20.491 ( 0.000 -2.935 -1.080) 3.128 21.005 ( 0.000 -1.656 0.770) 1.826 21.119 ( 0.000 -3.040 -4.161) 5.153 22.046 ( 0.000 0.386 1.255) 1.312 22.099 ( 0.000 0.065 -1.443) 1.445 22.555 ( 0.000 -0.132 0.222) 0.259 22.620 ( 0.000 -0.729 -3.367) 3.445 23.673 ( 0.000 -0.716 9.419) 9.446 23.738 ( 0.000 -0.528 6.696) 6.717 23.774 ( 0.000 -1.831 0.692) 1.957 24.126 ( 0.000 -4.875 -10.545) 11.617 ======================= Grid point 186 (65/90) ======================= q-point: ( 0.25 0.12 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( 4.065 8.691 17.035) 19.552 2.141 ( 7.151 0.960 15.084) 16.721 2.290 ( -4.072 11.132 7.798) 14.188 2.447 ( -0.647 10.267 1.959) 10.473 2.503 ( -0.180 7.976 3.277) 8.625 2.586 ( -4.934 5.890 -5.998) 9.748 2.696 ( -7.820 4.777 -2.522) 9.505 2.733 ( -11.176 1.348 -7.545) 13.552 2.889 ( 3.182 11.894 -6.366) 13.861 2.999 ( -1.366 11.184 -11.453) 16.066 3.257 ( 8.740 0.864 6.051) 10.665 3.373 ( 9.801 0.007 -2.407) 10.092 3.632 ( 0.323 -5.616 3.934) 6.864 3.683 ( 2.240 -5.319 1.785) 6.041 4.023 ( 4.462 -0.353 1.879) 4.855 4.166 ( 3.281 -1.770 -5.900) 6.979 4.232 ( 0.405 -4.535 -0.316) 4.564 4.427 ( -3.341 -3.780 -6.086) 7.905 4.545 ( -0.076 4.148 -2.555) 4.872 4.576 ( -0.258 4.875 -2.492) 5.481 4.682 ( 0.124 4.356 -5.030) 6.655 4.714 ( -0.392 7.018 -4.160) 8.168 4.951 ( -4.513 0.229 8.732) 9.832 5.013 ( 2.391 -2.273 2.685) 4.253 5.024 ( -3.879 -1.958 7.854) 8.975 5.323 ( -10.172 -3.559 7.339) 13.038 5.805 ( 2.656 -8.124 2.179) 8.821 5.901 ( -0.191 -4.797 -5.479) 7.285 6.135 ( 1.661 -3.464 -0.412) 3.864 6.161 ( -2.464 2.374 0.797) 3.513 6.256 ( 0.763 3.280 -0.349) 3.385 6.297 ( -0.820 8.967 -1.198) 9.083 6.400 ( 4.514 2.818 0.853) 5.389 6.519 ( 1.062 -0.079 -6.479) 6.566 6.857 ( 1.775 -1.577 -2.222) 3.252 6.931 ( -0.221 2.165 -2.316) 3.178 7.027 ( 0.646 2.401 -7.582) 7.980 7.055 ( 0.111 6.880 -6.183) 9.251 7.992 ( -1.243 -10.216 2.926) 10.699 8.017 ( -1.221 -10.153 2.380) 10.499 8.135 ( 0.659 -2.602 5.103) 5.766 8.197 ( -0.223 -2.404 2.675) 3.603 8.272 ( 3.348 -1.266 -1.504) 3.883 8.469 ( -3.963 3.077 4.357) 6.645 8.540 ( 1.812 -3.841 -7.653) 8.753 8.623 ( -1.466 -1.859 -2.886) 3.733 8.654 ( 2.363 -3.867 -3.077) 5.478 8.702 ( 0.892 -1.302 -4.196) 4.483 9.273 ( 0.991 6.134 2.665) 6.761 9.318 ( -0.692 5.181 1.402) 5.411 10.360 ( 1.082 -0.200 -3.372) 3.547 10.386 ( 0.459 -4.058 -4.965) 6.429 10.783 ( 2.315 1.145 -0.206) 2.591 10.792 ( 2.533 0.671 -0.712) 2.716 11.279 ( -3.690 -2.271 -0.306) 4.344 11.328 ( -4.129 -3.880 -3.471) 6.644 11.604 ( 0.853 0.851 1.338) 1.801 11.648 ( -0.580 -2.665 0.245) 2.738 11.883 ( 5.734 8.948 3.021) 11.049 12.037 ( 2.538 6.816 -3.597) 8.114 12.272 ( -0.713 3.785 0.740) 3.922 12.368 ( -2.897 -0.952 -3.799) 4.872 13.056 ( -0.186 -0.627 7.475) 7.504 13.175 ( -4.424 -0.166 1.242) 4.598 14.490 ( 5.921 0.909 12.083) 13.487 14.791 ( -4.636 -1.463 -2.386) 5.415 15.506 ( 0.755 -9.716 -0.033) 9.745 15.608 ( -2.283 -8.569 -4.881) 10.123 18.706 ( 0.057 8.254 0.693) 8.283 18.715 ( -0.320 9.233 0.851) 9.278 18.743 ( 0.878 10.629 -0.980) 10.710 18.792 ( -1.040 14.212 -3.173) 14.599 20.477 ( 4.358 -2.978 2.798) 5.974 20.574 ( 5.429 -3.194 -1.239) 6.419 20.935 ( -4.372 -2.013 0.620) 4.853 21.076 ( -4.509 -3.118 -5.564) 7.811 22.082 ( 3.694 0.558 1.001) 3.868 22.143 ( 3.719 0.159 -2.296) 4.374 22.467 ( -7.019 -0.195 0.230) 7.025 22.524 ( -7.571 -0.696 -2.966) 8.161 23.645 ( -0.696 0.073 8.789) 8.817 23.680 ( -1.091 -0.258 5.840) 5.946 23.955 ( 9.083 -2.983 -0.121) 9.561 24.144 ( 0.612 -4.877 -8.443) 9.770 ======================= Grid point 187 (66/90) ======================= q-point: (-0.50 0.12 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( -5.306 9.819 11.884) 16.303 2.173 ( 5.306 9.819 11.884) 16.303 2.329 ( -8.160 1.088 9.037) 12.224 2.329 ( 8.160 1.088 9.037) 12.224 2.538 ( -1.043 11.252 -2.477) 11.568 2.538 ( 1.043 11.252 -2.477) 11.568 2.587 ( -0.599 1.976 -6.143) 6.480 2.587 ( 0.599 1.976 -6.143) 6.480 2.957 ( -2.517 12.469 -9.240) 15.722 2.957 ( 2.517 12.469 -9.240) 15.722 3.410 ( -4.635 -0.402 3.332) 5.722 3.410 ( 4.635 -0.402 3.332) 5.722 3.691 ( -2.670 -7.218 1.845) 7.914 3.691 ( 2.670 -7.218 1.845) 7.914 4.132 ( -4.378 -1.002 -1.979) 4.908 4.132 ( 4.378 -1.002 -1.979) 4.908 4.326 ( -5.096 -2.117 -2.068) 5.893 4.326 ( 5.096 -2.117 -2.068) 5.893 4.563 ( -1.002 3.789 -3.659) 5.362 4.563 ( 1.002 3.789 -3.659) 5.362 4.694 ( -1.540 5.042 -6.547) 8.406 4.694 ( 1.540 5.042 -6.547) 8.406 4.921 ( -3.307 0.657 13.379) 13.797 4.921 ( 3.307 0.657 13.379) 13.797 5.119 ( -7.274 -1.555 3.471) 8.208 5.119 ( 7.274 -1.555 3.471) 8.208 5.875 ( -2.775 -7.674 -1.538) 8.304 5.875 ( 2.775 -7.674 -1.538) 8.304 6.135 ( -0.490 2.260 -0.771) 2.438 6.135 ( 0.490 2.260 -0.771) 2.438 6.271 ( -0.792 5.774 -1.792) 6.097 6.271 ( 0.792 5.774 -1.792) 6.097 6.502 ( -3.065 -0.833 -1.534) 3.528 6.502 ( 3.065 -0.833 -1.534) 3.528 6.905 ( -2.072 -0.304 -2.536) 3.289 6.905 ( 2.072 -0.304 -2.536) 3.289 7.047 ( -0.914 5.456 -6.740) 8.720 7.047 ( 0.914 5.456 -6.740) 8.720 7.988 ( -0.956 -10.416 2.223) 10.694 7.988 ( 0.956 -10.416 2.223) 10.694 8.169 ( -2.001 -5.016 2.658) 6.019 8.169 ( 2.001 -5.016 2.658) 6.019 8.368 ( -4.915 3.708 3.597) 7.131 8.368 ( 4.915 3.708 3.597) 7.131 8.585 ( -1.988 -3.183 -5.527) 6.680 8.585 ( 1.988 -3.183 -5.527) 6.680 8.698 ( -1.291 -3.394 -4.071) 5.455 8.698 ( 1.291 -3.394 -4.071) 5.455 9.297 ( -1.124 5.696 1.933) 6.119 9.297 ( 1.124 5.696 1.933) 6.119 10.383 ( -0.779 -1.058 -4.282) 4.479 10.383 ( 0.779 -1.058 -4.282) 4.479 10.826 ( -0.472 -0.813 -0.341) 1.000 10.826 ( 0.472 -0.813 -0.341) 1.000 11.247 ( -1.750 -2.952 -1.919) 3.931 11.247 ( 1.750 -2.952 -1.919) 3.931 11.627 ( -1.077 -1.609 0.199) 1.946 11.627 ( 1.077 -1.609 0.199) 1.946 12.018 ( -4.799 13.936 1.134) 14.783 12.018 ( 4.799 13.936 1.134) 14.783 12.295 ( -3.059 -2.785 -2.831) 5.012 12.295 ( 3.059 -2.785 -2.831) 5.012 13.083 ( -3.002 -1.091 4.637) 5.630 13.083 ( 3.002 -1.091 4.637) 5.630 14.648 ( -7.654 0.141 6.603) 10.109 14.648 ( 7.654 0.141 6.603) 10.109 15.547 ( -2.785 -8.892 -3.839) 10.078 15.547 ( 2.785 -8.892 -3.839) 10.078 18.709 ( -0.203 8.500 0.831) 8.543 18.709 ( 0.203 8.500 0.831) 8.543 18.766 ( -1.190 12.431 -1.951) 12.639 18.766 ( 1.190 12.431 -1.951) 12.639 20.595 ( -4.545 -2.753 3.143) 6.174 20.595 ( 4.545 -2.753 3.143) 6.174 20.942 ( -5.790 -3.005 -4.985) 8.211 20.942 ( 5.790 -3.005 -4.985) 8.211 22.189 ( -3.386 0.775 -1.253) 3.693 22.189 ( 3.386 0.775 -1.253) 3.693 22.370 ( -3.104 -0.740 -1.193) 3.407 22.370 ( 3.104 -0.740 -1.193) 3.407 23.657 ( -1.083 0.230 7.376) 7.458 23.657 ( 1.083 0.230 7.376) 7.458 24.109 ( -4.348 -4.318 -4.412) 7.551 24.109 ( 4.348 -4.318 -4.412) 7.551 ======================= Grid point 190 (67/90) ======================= q-point: ( 0.00 0.25 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( 0.000 6.431 15.959) 17.206 2.190 ( 0.000 9.028 15.499) 17.936 2.520 ( 0.000 5.276 3.626) 6.402 2.699 ( 0.000 10.505 -2.370) 10.769 2.708 ( 0.000 10.041 2.146) 10.267 2.787 ( 0.000 0.735 3.355) 3.435 2.829 ( 0.000 0.162 -7.479) 7.481 2.984 ( 0.000 1.954 -7.525) 7.774 3.094 ( 0.000 8.814 1.970) 9.032 3.201 ( 0.000 12.235 0.672) 12.254 3.235 ( 0.000 16.021 1.306) 16.075 3.376 ( 0.000 16.479 -5.862) 17.491 3.575 ( 0.000 -2.961 -1.281) 3.227 3.586 ( 0.000 0.220 0.668) 0.703 3.939 ( 0.000 -1.685 4.692) 4.985 4.046 ( 0.000 -3.821 -4.797) 6.132 4.106 ( 0.000 -6.124 -0.009) 6.124 4.417 ( 0.000 -1.008 -8.431) 8.491 4.574 ( 0.000 -3.018 0.087) 3.020 4.653 ( 0.000 -1.417 -1.306) 1.927 4.842 ( 0.000 11.375 -4.882) 12.378 4.876 ( 0.000 10.691 -0.692) 10.714 4.917 ( 0.000 -3.070 1.239) 3.311 4.982 ( 0.000 -4.644 1.966) 5.043 5.025 ( 0.000 0.633 8.683) 8.706 5.338 ( 0.000 -6.423 3.670) 7.398 5.619 ( 0.000 -6.154 1.377) 6.306 5.828 ( 0.000 -4.684 -9.112) 10.245 5.984 ( 0.000 -3.767 1.170) 3.945 6.153 ( 0.000 -5.796 -6.691) 8.852 6.352 ( 0.000 2.751 2.764) 3.900 6.355 ( 0.000 4.791 0.801) 4.858 6.522 ( 0.000 6.034 -5.158) 7.938 6.571 ( 0.000 5.167 -8.735) 10.149 6.862 ( 0.000 3.678 3.865) 5.336 6.979 ( 0.000 3.593 2.796) 4.553 7.093 ( 0.000 4.516 -5.269) 6.939 7.169 ( 0.000 4.154 -5.389) 6.804 7.741 ( 0.000 -15.311 2.670) 15.542 7.777 ( 0.000 -15.729 0.585) 15.740 8.120 ( 0.000 -2.689 -0.584) 2.752 8.127 ( 0.000 -4.085 -2.011) 4.554 8.227 ( 0.000 4.610 6.138) 7.677 8.415 ( 0.000 -5.230 -1.550) 5.454 8.466 ( 0.000 -7.700 1.163) 7.787 8.578 ( 0.000 0.842 -2.949) 3.067 8.659 ( 0.000 0.412 -1.522) 1.576 8.710 ( 0.000 2.900 -1.541) 3.284 9.403 ( 0.000 8.122 0.796) 8.161 9.449 ( 0.000 7.516 0.089) 7.517 10.230 ( 0.000 -8.765 -2.366) 9.078 10.300 ( 0.000 -5.221 -5.355) 7.479 10.811 ( 0.000 3.194 -0.251) 3.204 10.824 ( 0.000 4.483 -1.001) 4.593 11.265 ( 0.000 -7.020 0.129) 7.021 11.271 ( 0.000 -4.228 -1.940) 4.652 11.624 ( 0.000 1.119 1.174) 1.622 11.707 ( 0.000 5.623 -1.131) 5.736 11.918 ( 0.000 4.986 0.529) 5.014 12.003 ( 0.000 0.507 -3.682) 3.717 12.410 ( 0.000 0.615 -0.332) 0.699 12.433 ( 0.000 6.044 -0.468) 6.062 13.085 ( 0.000 2.612 7.798) 8.224 13.250 ( 0.000 1.249 -0.237) 1.271 14.450 ( 0.000 2.215 11.408) 11.621 14.778 ( 0.000 -4.025 -5.214) 6.587 15.275 ( 0.000 -11.318 4.816) 12.300 15.427 ( 0.000 -11.903 -3.763) 12.483 18.914 ( 0.000 12.656 0.913) 12.689 18.951 ( 0.000 12.998 -0.681) 13.015 18.996 ( 0.000 15.498 0.403) 15.503 19.145 ( 0.000 17.201 -8.320) 19.107 20.344 ( 0.000 -5.166 1.652) 5.423 20.412 ( 0.000 -4.833 -1.502) 5.061 20.956 ( 0.000 -3.284 -0.223) 3.292 21.033 ( 0.000 -5.570 -3.338) 6.493 22.056 ( 0.000 0.655 1.038) 1.227 22.099 ( 0.000 -0.083 -1.157) 1.159 22.553 ( 0.000 -0.055 -0.140) 0.151 22.601 ( 0.000 -1.098 -2.864) 3.067 23.656 ( 0.000 -0.880 8.285) 8.332 23.728 ( 0.000 -2.637 2.340) 3.526 23.729 ( 0.000 -0.136 5.645) 5.647 24.007 ( 0.000 -6.759 -6.609) 9.453 ======================= Grid point 191 (68/90) ======================= q-point: ( 0.25 0.25 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( 4.592 4.044 12.082) 13.543 2.237 ( 4.241 8.299 13.216) 16.172 2.441 ( -5.795 5.018 4.445) 8.861 2.591 ( -7.962 0.471 -1.516) 8.118 2.657 ( -4.434 6.452 3.188) 8.453 2.727 ( -4.571 5.536 -5.011) 8.755 2.788 ( -3.118 8.809 -2.197) 9.599 2.912 ( -3.853 9.191 -3.803) 10.667 3.122 ( 6.082 9.983 0.993) 11.732 3.262 ( 2.499 14.251 -6.800) 15.987 3.371 ( 5.278 11.605 3.122) 13.125 3.422 ( 2.697 6.243 -1.313) 6.926 3.549 ( 0.269 -0.083 3.361) 3.373 3.604 ( 0.974 -0.314 0.301) 1.067 4.001 ( 4.341 -1.656 0.890) 4.730 4.104 ( 1.015 -3.917 -3.662) 5.458 4.141 ( 6.049 -4.282 -1.116) 7.495 4.379 ( -3.569 -1.510 -6.517) 7.582 4.575 ( 0.595 -2.753 0.426) 2.849 4.623 ( -1.736 -2.062 -1.754) 3.216 4.823 ( -1.247 8.734 -4.995) 10.138 4.882 ( -0.179 11.329 -0.708) 11.352 4.949 ( -2.461 -0.465 7.667) 8.065 4.962 ( 2.223 -0.403 5.058) 5.540 5.002 ( -0.086 -0.827 2.015) 2.179 5.247 ( -6.863 -3.928 2.346) 8.248 5.657 ( 2.912 -6.414 -0.459) 7.059 5.791 ( -2.510 -6.167 -5.955) 8.933 6.054 ( 4.457 -3.509 -1.852) 5.967 6.136 ( -0.775 -4.005 -4.581) 6.134 6.349 ( 0.204 4.431 -0.966) 4.540 6.427 ( 4.188 1.222 1.072) 4.493 6.479 ( -2.547 7.412 -4.858) 9.220 6.588 ( 0.177 5.654 -4.694) 7.350 6.856 ( 0.477 1.620 2.611) 3.109 6.963 ( -1.857 2.702 1.930) 3.804 7.111 ( 1.846 4.466 -5.157) 7.067 7.175 ( 0.221 4.575 -5.428) 7.102 7.726 ( -1.084 -15.745 2.009) 15.910 7.753 ( -1.865 -15.853 0.530) 15.971 8.077 ( -0.769 -2.300 1.588) 2.899 8.138 ( -1.640 -3.027 -1.213) 3.651 8.294 ( 5.432 2.653 3.957) 7.225 8.442 ( 1.284 -5.817 -2.569) 6.487 8.455 ( -0.153 -5.098 2.129) 5.527 8.583 ( -1.053 1.293 1.017) 1.954 8.628 ( -0.928 -0.956 -4.461) 4.655 8.701 ( -1.184 1.036 -2.592) 3.032 9.411 ( 0.670 7.915 0.589) 7.965 9.444 ( -0.476 7.584 0.060) 7.599 10.262 ( 2.458 -8.427 -3.108) 9.312 10.311 ( 0.666 -5.745 -5.134) 7.733 10.818 ( 0.597 2.486 -0.311) 2.576 10.828 ( 0.266 3.280 -0.827) 3.393 11.214 ( -3.314 -4.811 -0.030) 5.842 11.229 ( -3.320 -5.209 -1.552) 6.369 11.634 ( 0.872 2.578 0.302) 2.739 11.676 ( -1.454 4.611 -0.786) 4.898 12.043 ( 8.927 5.471 -0.429) 10.479 12.094 ( 7.007 -0.665 -3.099) 7.690 12.366 ( -3.412 1.932 0.474) 3.950 12.413 ( -2.554 9.147 -1.318) 9.588 13.046 ( -2.393 -0.159 7.460) 7.836 13.170 ( -6.188 -0.366 1.212) 6.317 14.522 ( 5.865 2.535 10.002) 11.869 14.759 ( -2.214 -1.474 -1.325) 2.972 15.281 ( 0.970 -12.053 2.263) 12.302 15.397 ( -2.549 -12.132 -3.576) 12.903 18.916 ( 0.129 12.617 0.881) 12.649 18.937 ( -0.849 12.920 0.198) 12.949 19.020 ( 1.796 15.621 -1.213) 15.771 19.119 ( -2.091 16.839 -6.743) 18.259 20.401 ( 5.042 -4.370 2.366) 7.079 20.491 ( 5.627 -4.871 -1.574) 7.607 20.876 ( -5.324 -3.966 0.206) 6.642 20.987 ( -4.775 -5.853 -4.803) 8.951 22.098 ( 4.010 0.939 0.761) 4.189 22.146 ( 4.068 0.082 -1.859) 4.474 22.463 ( -7.245 -0.149 -0.104) 7.247 22.506 ( -7.535 -1.044 -2.550) 8.023 23.650 ( 0.268 0.516 7.722) 7.744 23.677 ( -0.410 0.181 5.197) 5.216 23.879 ( 7.126 -4.365 1.422) 8.476 24.023 ( 0.646 -6.995 -4.967) 8.603 ======================= Grid point 192 (69/90) ======================= q-point: (-0.50 0.25 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.305 ( -5.354 3.887 6.748) 9.451 2.305 ( 5.354 3.887 6.748) 9.451 2.400 ( -9.252 4.818 6.204) 12.136 2.400 ( 9.252 4.818 6.204) 12.136 2.604 ( -1.632 2.029 -2.307) 3.479 2.604 ( 1.632 2.029 -2.307) 3.479 2.829 ( -3.104 11.679 -2.735) 12.390 2.829 ( 3.104 11.679 -2.735) 12.390 3.250 ( -3.594 14.716 -2.833) 15.411 3.250 ( 3.594 14.716 -2.833) 15.411 3.428 ( -1.474 4.365 2.228) 5.118 3.428 ( 1.474 4.365 2.228) 5.118 3.601 ( -2.135 0.720 1.410) 2.658 3.601 ( 2.135 0.720 1.410) 2.658 4.087 ( -2.628 -3.083 -1.124) 4.204 4.087 ( 2.628 -3.083 -1.124) 4.204 4.278 ( -5.262 -2.231 -4.269) 7.134 4.278 ( 5.262 -2.231 -4.269) 7.134 4.598 ( -0.923 -2.936 -0.942) 3.219 4.598 ( 0.923 -2.936 -0.942) 3.219 4.827 ( -2.489 8.417 -3.085) 9.303 4.827 ( 2.489 8.417 -3.085) 9.303 4.946 ( -1.914 2.860 12.474) 12.940 4.946 ( 1.914 2.860 12.474) 12.940 5.094 ( -6.279 -0.826 -2.717) 6.891 5.094 ( 6.279 -0.826 -2.717) 6.891 5.728 ( -3.214 -7.296 -3.210) 8.595 5.728 ( 3.214 -7.296 -3.210) 8.595 6.122 ( -1.316 -2.019 -2.909) 3.777 6.122 ( 1.316 -2.019 -2.909) 3.777 6.382 ( -3.219 3.165 -3.740) 5.862 6.382 ( 3.219 3.165 -3.740) 5.862 6.547 ( -3.848 5.543 -0.260) 6.753 6.547 ( 3.848 5.543 -0.260) 6.753 6.902 ( -3.132 0.817 0.931) 3.368 6.902 ( 3.132 0.817 0.931) 3.368 7.160 ( -1.843 4.947 -5.122) 7.355 7.160 ( 1.843 4.947 -5.122) 7.355 7.718 ( -0.777 -16.292 0.938) 16.337 7.718 ( 0.777 -16.292 0.938) 16.337 8.092 ( -1.877 -2.364 1.188) 3.244 8.092 ( 1.877 -2.364 1.188) 3.244 8.405 ( -3.554 -1.461 0.679) 3.902 8.405 ( 3.554 -1.461 0.679) 3.902 8.510 ( -3.690 -1.878 1.695) 4.474 8.510 ( 3.690 -1.878 1.695) 4.474 8.659 ( -2.313 -0.961 -4.342) 5.012 8.659 ( 2.313 -0.961 -4.342) 5.012 9.429 ( -0.832 7.680 0.232) 7.728 9.429 ( 0.832 7.680 0.232) 7.728 10.309 ( -1.203 -7.156 -4.401) 8.487 10.309 ( 1.203 -7.156 -4.401) 8.487 10.830 ( -0.263 1.689 -0.512) 1.785 10.830 ( 0.263 1.689 -0.512) 1.785 11.175 ( -0.562 -4.202 -0.735) 4.303 11.175 ( 0.562 -4.202 -0.735) 4.303 11.654 ( -0.828 4.085 -0.439) 4.191 11.654 ( 0.828 4.085 -0.439) 4.191 12.208 ( -2.685 -4.881 -3.016) 6.334 12.208 ( 2.685 -4.881 -3.016) 6.334 12.317 ( -3.621 14.770 0.693) 15.223 12.317 ( 3.621 14.770 0.693) 15.223 13.047 ( -3.417 -2.735 4.780) 6.481 13.047 ( 3.417 -2.735 4.780) 6.481 14.665 ( -6.115 1.863 5.766) 8.609 14.665 ( 6.115 1.863 5.766) 8.609 15.329 ( -3.131 -12.541 -1.997) 13.080 15.329 ( 3.131 -12.541 -1.997) 13.080 18.922 ( -0.465 12.660 0.717) 12.689 18.922 ( 0.465 12.660 0.717) 12.689 19.067 ( -2.374 16.173 -3.790) 16.780 19.067 ( 2.374 16.173 -3.790) 16.780 20.527 ( -4.333 -3.648 2.323) 6.123 20.527 ( 4.333 -3.648 2.323) 6.123 20.854 ( -5.060 -5.974 -4.349) 8.956 20.854 ( 5.060 -5.974 -4.349) 8.956 22.211 ( -3.244 1.452 -1.172) 3.742 22.211 ( 3.244 1.452 -1.172) 3.742 22.350 ( -2.972 -1.336 -1.082) 3.433 22.350 ( 2.972 -1.336 -1.082) 3.433 23.668 ( -0.768 0.991 6.457) 6.577 23.668 ( 0.768 0.991 6.457) 6.577 23.999 ( -3.263 -6.464 -1.880) 7.481 23.999 ( 3.263 -6.464 -1.880) 7.481 ======================= Grid point 195 (70/90) ======================= q-point: ( 0.00 0.38 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( 0.000 8.657 11.671) 14.531 2.361 ( 0.000 8.610 10.112) 13.281 2.582 ( 0.000 -1.428 4.007) 4.254 2.700 ( 0.000 0.296 1.076) 1.116 2.713 ( 0.000 -8.210 -0.070) 8.211 2.804 ( 0.000 0.179 -6.026) 6.028 2.948 ( 0.000 7.202 3.131) 7.853 3.062 ( 0.000 2.828 -1.918) 3.417 3.276 ( 0.000 7.936 1.184) 8.024 3.359 ( 0.000 1.967 -0.684) 2.083 3.492 ( 0.000 10.754 3.776) 11.398 3.616 ( 0.000 7.799 -1.064) 7.871 3.681 ( 0.000 6.497 -2.649) 7.017 3.698 ( 0.000 12.831 -6.262) 14.278 3.891 ( 0.000 -3.935 2.156) 4.487 3.987 ( 0.000 -0.933 -5.356) 5.437 4.079 ( 0.000 6.068 6.708) 9.045 4.376 ( 0.000 -3.965 -0.579) 4.007 4.467 ( 0.000 -7.069 1.460) 7.218 4.529 ( 0.000 -9.460 -0.262) 9.464 4.870 ( 0.000 -1.419 -0.604) 1.543 4.900 ( 0.000 -3.259 -0.702) 3.334 5.015 ( 0.000 1.089 7.821) 7.897 5.060 ( 0.000 7.352 -1.150) 7.442 5.142 ( 0.000 11.604 -7.041) 13.573 5.238 ( 0.000 -1.921 -3.098) 3.645 5.559 ( 0.000 0.063 -0.534) 0.537 5.729 ( 0.000 -5.599 -5.736) 8.016 5.948 ( 0.000 0.509 -3.951) 3.983 6.048 ( 0.000 -4.094 -8.993) 9.881 6.381 ( 0.000 0.228 2.763) 2.772 6.405 ( 0.000 0.117 2.127) 2.130 6.605 ( 0.000 3.532 -4.710) 5.887 6.655 ( 0.000 3.251 -8.882) 9.459 6.949 ( 0.000 3.595 4.437) 5.711 7.076 ( 0.000 4.500 3.987) 6.012 7.125 ( 0.000 -2.230 -4.286) 4.832 7.184 ( 0.000 -2.496 -1.993) 3.194 7.491 ( 0.000 -8.208 0.438) 8.219 7.495 ( 0.000 -10.499 -0.288) 10.503 8.078 ( 0.000 -0.457 -0.580) 0.739 8.095 ( 0.000 0.336 -0.916) 0.976 8.297 ( 0.000 -2.740 0.972) 2.907 8.313 ( 0.000 -5.035 0.160) 5.037 8.359 ( 0.000 2.075 4.805) 5.234 8.543 ( 0.000 -3.550 -4.016) 5.360 8.708 ( 0.000 3.295 1.696) 3.706 8.754 ( 0.000 1.366 -0.496) 1.453 9.579 ( 0.000 9.891 -0.427) 9.900 9.623 ( 0.000 10.237 -1.309) 10.320 10.040 ( 0.000 -10.425 -1.178) 10.491 10.135 ( 0.000 -11.207 -5.104) 12.315 10.886 ( 0.000 4.601 0.371) 4.616 10.929 ( 0.000 5.892 -1.999) 6.222 11.127 ( 0.000 -6.759 1.596) 6.945 11.175 ( 0.000 -5.508 -2.159) 5.916 11.675 ( 0.000 3.719 -0.960) 3.841 11.781 ( 0.000 1.121 -4.688) 4.820 11.999 ( 0.000 2.970 -1.505) 3.329 12.014 ( 0.000 0.792 -2.357) 2.486 12.432 ( 0.000 1.619 3.866) 4.191 12.494 ( 0.000 0.365 1.895) 1.930 13.167 ( 0.000 5.136 4.538) 6.854 13.271 ( 0.000 0.463 0.224) 0.514 14.508 ( 0.000 3.712 7.665) 8.516 14.689 ( 0.000 -4.883 -1.507) 5.110 15.103 ( 0.000 -5.536 4.212) 6.956 15.206 ( 0.000 -9.767 -1.632) 9.903 19.172 ( 0.000 12.751 0.008) 12.751 19.199 ( 0.000 11.222 -0.748) 11.246 19.265 ( 0.000 10.452 -0.191) 10.454 19.396 ( 0.000 6.805 -7.967) 10.478 20.260 ( 0.000 -2.523 0.480) 2.568 20.317 ( 0.000 -4.334 -2.012) 4.778 20.885 ( 0.000 -3.504 -1.311) 3.742 20.917 ( 0.000 -5.587 -2.369) 6.069 22.070 ( 0.000 0.742 0.588) 0.947 22.094 ( 0.000 -0.389 -0.667) 0.772 22.555 ( 0.000 0.247 -0.696) 0.738 22.580 ( 0.000 -1.014 -2.151) 2.378 23.644 ( 0.000 -0.283 7.001) 7.007 23.680 ( 0.000 -2.147 4.169) 4.689 23.740 ( 0.000 1.394 3.732) 3.984 23.881 ( 0.000 -5.792 -2.499) 6.308 ======================= Grid point 196 (71/90) ======================= q-point: ( 0.25 0.38 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( 1.312 5.965 8.040) 10.097 2.389 ( 2.391 7.368 7.184) 10.565 2.506 ( -4.976 -0.598 1.474) 5.224 2.573 ( -6.149 1.227 -0.710) 6.310 2.706 ( -4.008 -1.094 -0.552) 4.191 2.788 ( -5.357 1.246 -0.438) 5.518 2.891 ( -3.335 0.458 0.473) 3.400 2.924 ( -5.971 -4.440 0.878) 7.492 3.337 ( 6.386 10.565 2.419) 12.580 3.450 ( 5.445 3.030 -1.771) 6.478 3.562 ( 2.951 13.163 2.939) 13.806 3.642 ( 1.716 8.465 1.101) 8.707 3.688 ( -1.520 8.278 -3.722) 9.203 3.718 ( 3.563 11.178 0.535) 11.744 3.976 ( 3.846 -0.189 0.037) 3.851 4.056 ( 6.274 -4.919 0.207) 7.975 4.092 ( 1.481 5.422 0.845) 5.684 4.339 ( -3.381 -3.168 -1.068) 4.755 4.462 ( -0.138 -7.902 1.226) 7.998 4.505 ( -1.672 -8.912 -1.002) 9.122 4.867 ( 0.321 -0.605 1.275) 1.448 4.923 ( 1.485 -2.074 0.258) 2.564 4.989 ( -2.075 0.080 4.099) 4.595 5.066 ( -0.351 3.919 2.123) 4.471 5.153 ( 1.118 12.779 -6.298) 14.291 5.208 ( -1.836 3.772 -5.342) 6.792 5.565 ( 0.345 -3.039 -2.714) 4.089 5.665 ( -4.335 -6.596 -5.510) 9.626 6.021 ( 5.378 0.291 -3.453) 6.398 6.067 ( 2.384 -1.957 -6.242) 6.963 6.387 ( -1.837 -0.677 -0.868) 2.141 6.410 ( -0.134 -2.884 -0.451) 2.922 6.605 ( 1.749 6.240 -2.474) 6.937 6.699 ( 3.003 5.093 -6.129) 8.516 6.914 ( -2.216 3.443 5.518) 6.871 7.048 ( -3.668 4.615 3.237) 6.726 7.144 ( 2.881 -2.102 -3.625) 5.085 7.201 ( 1.646 -2.523 -2.909) 4.188 7.446 ( -3.382 -10.522 0.389) 11.059 7.459 ( -3.191 -11.608 -0.758) 12.063 8.068 ( 0.280 1.608 0.812) 1.823 8.113 ( 0.139 0.791 -1.377) 1.594 8.290 ( 0.136 -4.784 1.027) 4.895 8.320 ( -0.001 -5.979 -0.422) 5.994 8.417 ( 4.765 3.143 3.886) 6.905 8.568 ( 2.308 -2.758 -3.236) 4.838 8.659 ( -4.113 3.200 2.125) 5.628 8.721 ( -2.900 0.513 -0.793) 3.049 9.587 ( 0.689 10.200 -0.629) 10.243 9.620 ( -0.323 10.569 -1.454) 10.673 10.064 ( 1.941 -11.492 -1.863) 11.802 10.132 ( -0.408 -11.946 -4.686) 12.839 10.885 ( -0.022 4.303 0.043) 4.304 10.914 ( -1.112 5.204 -1.587) 5.553 11.101 ( -1.724 -5.948 0.858) 6.252 11.133 ( -2.965 -5.113 -1.664) 6.140 11.715 ( 2.986 5.259 -1.167) 6.160 11.778 ( 0.132 4.865 -3.079) 5.759 12.041 ( 2.383 -3.518 -2.397) 4.878 12.068 ( 3.049 -2.311 -3.782) 5.380 12.461 ( 4.177 6.460 5.131) 9.247 12.556 ( 4.802 4.242 0.580) 6.434 13.062 ( -8.054 1.947 5.313) 9.843 13.155 ( -9.201 -1.369 1.164) 9.375 14.592 ( 6.595 4.589 6.854) 10.561 14.738 ( 3.042 -0.967 -0.377) 3.214 15.075 ( -1.805 -7.961 3.536) 8.896 15.167 ( -3.314 -10.515 -1.452) 11.120 19.170 ( -0.061 12.492 0.039) 12.492 19.187 ( -0.796 11.676 -0.316) 11.707 19.283 ( 1.420 9.546 -1.419) 9.754 19.370 ( -2.023 7.190 -6.503) 9.904 20.334 ( 6.304 -1.562 0.819) 6.546 20.402 ( 6.757 -3.724 -2.222) 8.029 20.792 ( -6.874 -3.944 -0.349) 7.933 20.860 ( -5.692 -6.630 -3.595) 9.449 22.117 ( 4.407 1.001 0.286) 4.528 22.144 ( 4.475 -0.277 -1.183) 4.637 22.463 ( -7.478 0.172 -0.639) 7.507 22.486 ( -7.548 -0.967 -1.962) 7.859 23.666 ( 1.913 1.155 6.325) 6.708 23.692 ( 0.982 1.207 4.216) 4.494 23.800 ( 4.024 -3.217 2.898) 5.911 23.889 ( 0.309 -6.223 -1.346) 6.374 ======================= Grid point 197 (72/90) ======================= q-point: (-0.50 0.38 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.381 ( -6.072 4.086 2.348) 7.686 2.381 ( 6.072 4.086 2.348) 7.686 2.465 ( -3.726 1.592 -1.382) 4.281 2.465 ( 3.726 1.592 -1.382) 4.281 2.646 ( -2.122 2.608 5.023) 6.044 2.646 ( 2.122 2.608 5.023) 6.044 2.872 ( -0.547 -5.486 -0.567) 5.542 2.872 ( 0.547 -5.486 -0.567) 5.542 3.471 ( -3.787 9.301 4.284) 10.918 3.471 ( 3.787 9.301 4.284) 10.918 3.622 ( -3.046 10.045 -3.836) 11.176 3.622 ( 3.046 10.045 -3.836) 11.176 3.726 ( -3.135 9.802 2.236) 10.531 3.726 ( 3.135 9.802 2.236) 10.531 4.053 ( -3.091 0.611 3.059) 4.392 4.053 ( 3.091 0.611 3.059) 4.392 4.233 ( -6.379 -2.382 -2.972) 7.429 4.233 ( 6.379 -2.382 -2.972) 7.429 4.473 ( -1.120 -8.718 -0.564) 8.808 4.473 ( 1.120 -8.718 -0.564) 8.808 4.900 ( -2.626 1.360 4.281) 5.204 4.900 ( 2.626 1.360 4.281) 5.204 5.011 ( -3.667 -1.841 0.190) 4.108 5.011 ( 3.667 -1.841 0.190) 4.108 5.182 ( -1.098 12.196 -5.661) 13.491 5.182 ( 1.098 12.196 -5.661) 13.491 5.587 ( -2.201 -7.452 -5.169) 9.333 5.587 ( 2.201 -7.452 -5.169) 9.333 6.113 ( -0.791 2.200 -2.961) 3.773 6.113 ( 0.791 2.200 -2.961) 3.773 6.359 ( -1.426 -5.237 -3.897) 6.682 6.359 ( 1.426 -5.237 -3.897) 6.682 6.693 ( -4.123 8.948 -0.475) 9.864 6.693 ( 4.123 8.948 -0.475) 9.864 6.940 ( -4.817 1.734 2.604) 5.743 6.940 ( 4.817 1.734 2.604) 5.743 7.217 ( -1.868 0.913 -2.913) 3.579 7.217 ( 1.868 0.913 -2.913) 3.579 7.397 ( -0.700 -14.819 -0.437) 14.842 7.397 ( 0.700 -14.819 -0.437) 14.842 8.092 ( -1.568 2.520 0.405) 2.996 8.092 ( 1.568 2.520 0.405) 2.996 8.307 ( -1.049 -6.584 -0.404) 6.680 8.307 ( 1.049 -6.584 -0.404) 6.680 8.542 ( -5.960 3.295 2.871) 7.391 8.542 ( 5.960 3.295 2.871) 7.391 8.641 ( -3.839 -1.187 -1.680) 4.355 8.641 ( 3.839 -1.187 -1.680) 4.355 9.606 ( -0.888 10.685 -1.192) 10.788 9.606 ( 0.888 10.685 -1.192) 10.788 10.109 ( -1.750 -12.640 -3.427) 13.213 10.109 ( 1.750 -12.640 -3.427) 13.213 10.892 ( -0.727 4.296 -0.719) 4.416 10.892 ( 0.727 4.296 -0.719) 4.416 11.085 ( -0.805 -4.918 -0.524) 5.011 11.085 ( 0.805 -4.918 -0.524) 5.011 11.771 ( -1.438 7.375 -1.741) 7.713 11.771 ( 1.438 7.375 -1.741) 7.713 12.083 ( -1.162 -7.420 -3.346) 8.222 12.083 ( 1.162 -7.420 -3.346) 8.222 12.598 ( -4.547 13.222 1.889) 14.109 12.598 ( 4.547 13.222 1.889) 14.109 12.968 ( -3.979 -5.587 4.399) 8.149 12.968 ( 3.979 -5.587 4.399) 8.149 14.733 ( -4.469 5.272 4.208) 8.092 14.733 ( 4.469 5.272 4.208) 8.092 15.084 ( -3.169 -12.005 0.029) 12.416 15.084 ( 3.169 -12.005 0.029) 12.416 19.173 ( -0.395 12.093 -0.010) 12.099 19.173 ( 0.395 12.093 -0.010) 12.099 19.322 ( -2.105 8.210 -3.787) 9.283 19.322 ( 2.105 8.210 -3.787) 9.283 20.484 ( -4.141 0.263 0.691) 4.207 20.484 ( 4.141 0.263 0.691) 4.207 20.713 ( -4.324 -8.148 -3.385) 9.826 20.713 ( 4.324 -8.148 -3.385) 9.826 22.244 ( -3.059 1.877 -1.073) 3.746 22.244 ( 3.059 1.877 -1.073) 3.746 22.319 ( -2.882 -1.750 -0.999) 3.516 22.319 ( 2.882 -1.750 -0.999) 3.516 23.701 ( -0.618 2.473 5.057) 5.663 23.701 ( 0.618 2.473 5.057) 5.663 23.873 ( -2.116 -6.144 0.871) 6.556 23.873 ( 2.116 -6.144 0.871) 6.556 ======================= Grid point 200 (73/90) ======================= q-point: ( 0.00 -0.50 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.459 ( 0.000 -7.490 7.465) 10.575 2.459 ( 0.000 7.490 7.465) 10.575 2.541 ( 0.000 -8.333 4.090) 9.282 2.541 ( 0.000 8.333 4.090) 9.282 2.764 ( 0.000 -3.686 -1.675) 4.049 2.764 ( 0.000 3.686 -1.675) 4.049 3.043 ( 0.000 -3.397 1.560) 3.738 3.043 ( 0.000 3.397 1.560) 3.738 3.379 ( 0.000 -1.565 -2.052) 2.580 3.379 ( 0.000 1.565 -2.052) 2.580 3.635 ( 0.000 -2.911 0.222) 2.920 3.635 ( 0.000 2.911 0.222) 2.920 3.776 ( 0.000 -5.545 0.933) 5.623 3.776 ( 0.000 5.545 0.933) 5.623 3.953 ( 0.000 -7.463 -4.787) 8.866 3.953 ( 0.000 7.463 -4.787) 8.866 4.276 ( 0.000 -8.882 5.583) 10.491 4.276 ( 0.000 8.882 5.583) 10.491 4.363 ( 0.000 -0.969 2.018) 2.238 4.363 ( 0.000 0.969 2.018) 2.238 4.862 ( 0.000 -0.598 -2.662) 2.728 4.862 ( 0.000 0.598 -2.662) 2.728 5.056 ( 0.000 -3.270 3.340) 4.674 5.056 ( 0.000 3.270 3.340) 4.674 5.272 ( 0.000 -0.247 -8.342) 8.346 5.272 ( 0.000 0.247 -8.342) 8.346 5.616 ( 0.000 -5.270 -1.628) 5.515 5.616 ( 0.000 5.270 -1.628) 5.515 5.990 ( 0.000 -2.665 -8.706) 9.105 5.990 ( 0.000 2.665 -8.706) 9.105 6.385 ( 0.000 -0.985 3.702) 3.831 6.385 ( 0.000 0.985 3.702) 3.831 6.673 ( 0.000 -2.278 -5.287) 5.757 6.673 ( 0.000 2.278 -5.287) 5.757 7.001 ( 0.000 -4.799 -2.796) 5.554 7.001 ( 0.000 4.799 -2.796) 5.554 7.151 ( 0.000 -1.130 3.558) 3.733 7.151 ( 0.000 1.130 3.558) 3.733 7.413 ( 0.000 -0.718 -1.020) 1.247 7.413 ( 0.000 0.718 -1.020) 1.247 8.100 ( 0.000 -1.260 -0.328) 1.303 8.100 ( 0.000 1.260 -0.328) 1.303 8.241 ( 0.000 -0.852 0.984) 1.302 8.241 ( 0.000 0.852 0.984) 1.302 8.456 ( 0.000 -5.166 0.520) 5.192 8.456 ( 0.000 5.166 0.520) 5.192 8.756 ( 0.000 -1.284 0.650) 1.439 8.756 ( 0.000 1.284 0.650) 1.439 9.763 ( 0.000 -4.946 -0.903) 5.027 9.763 ( 0.000 4.946 -0.903) 5.027 9.915 ( 0.000 -6.651 -3.144) 7.357 9.915 ( 0.000 6.651 -3.144) 7.357 10.985 ( 0.000 -4.616 0.406) 4.633 10.985 ( 0.000 4.616 0.406) 4.633 11.065 ( 0.000 -4.805 -1.550) 5.049 11.065 ( 0.000 4.805 -1.550) 5.049 11.751 ( 0.000 -3.438 -3.741) 5.081 11.751 ( 0.000 3.438 -3.741) 5.081 12.027 ( 0.000 -0.013 -2.539) 2.539 12.027 ( 0.000 0.013 -2.539) 2.539 12.470 ( 0.000 -2.078 4.837) 5.264 12.470 ( 0.000 2.078 4.837) 5.264 13.251 ( 0.000 -2.798 1.560) 3.203 13.251 ( 0.000 2.798 1.560) 3.203 14.593 ( 0.000 -4.811 3.086) 5.716 14.593 ( 0.000 4.811 3.086) 5.716 15.076 ( 0.000 -2.885 1.439) 3.224 15.076 ( 0.000 2.885 1.439) 3.224 19.336 ( 0.000 -0.764 -0.834) 1.131 19.336 ( 0.000 0.764 -0.834) 1.131 19.392 ( 0.000 -5.590 -3.021) 6.354 19.392 ( 0.000 5.590 -3.021) 6.354 20.257 ( 0.000 -1.739 -1.793) 2.498 20.257 ( 0.000 1.739 -1.793) 2.498 20.850 ( 0.000 -0.678 -1.830) 1.952 20.850 ( 0.000 0.678 -1.830) 1.952 22.084 ( 0.000 -0.645 -0.036) 0.646 22.084 ( 0.000 0.645 -0.036) 0.646 22.564 ( 0.000 -0.657 -1.388) 1.536 22.564 ( 0.000 0.657 -1.388) 1.536 23.649 ( 0.000 -0.910 5.706) 5.778 23.649 ( 0.000 0.910 5.706) 5.778 23.788 ( 0.000 -3.608 0.984) 3.740 23.788 ( 0.000 3.608 0.984) 3.740 ======================= Grid point 202 (74/90) ======================= q-point: ( 0.25 -0.50 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.409 ( -1.771 -5.460 3.706) 6.832 2.409 ( -1.771 5.460 3.706) 6.832 2.546 ( -0.996 -5.644 0.674) 5.770 2.546 ( -0.996 5.644 0.674) 5.770 2.738 ( -1.986 -4.813 1.582) 5.442 2.738 ( -1.986 4.813 1.582) 5.442 2.877 ( -10.359 -0.284 1.788) 10.516 2.877 ( -10.359 0.284 1.788) 10.516 3.481 ( 7.587 -2.436 -0.778) 8.006 3.481 ( 7.587 2.436 -0.778) 8.006 3.669 ( 0.743 -1.447 0.801) 1.813 3.669 ( 0.743 1.447 0.801) 1.813 3.878 ( 6.471 -8.132 1.622) 10.518 3.878 ( 6.471 8.132 1.622) 10.518 3.963 ( 1.213 -5.144 -0.545) 5.313 3.963 ( 1.213 5.144 -0.545) 5.313 4.281 ( 0.195 -8.920 2.807) 9.354 4.281 ( 0.195 8.920 2.807) 9.354 4.333 ( -2.202 -2.921 0.684) 3.722 4.333 ( -2.202 2.921 0.684) 3.722 4.879 ( 1.790 -1.853 -2.132) 3.344 4.879 ( 1.790 1.853 -2.132) 3.344 5.026 ( -2.707 -3.492 2.240) 4.954 5.026 ( -2.707 3.492 2.240) 4.954 5.309 ( 3.427 -1.046 -7.524) 8.334 5.309 ( 3.427 1.046 -7.524) 8.334 5.553 ( -5.386 -3.241 -3.737) 7.313 5.553 ( -5.386 3.241 -3.737) 7.313 6.048 ( 5.694 -1.347 -5.680) 8.155 6.048 ( 5.694 1.347 -5.680) 8.155 6.364 ( -3.606 -0.380 0.147) 3.629 6.364 ( -3.606 0.380 0.147) 3.629 6.723 ( 5.277 -4.197 -2.277) 7.117 6.723 ( 5.277 4.197 -2.277) 7.117 6.997 ( -2.128 -6.888 -0.718) 7.245 6.997 ( -2.128 6.888 -0.718) 7.245 7.140 ( 0.962 -2.352 1.349) 2.877 7.140 ( 0.962 2.352 1.349) 2.877 7.354 ( -4.899 -0.648 -1.172) 5.079 7.354 ( -4.899 0.648 -1.172) 5.079 8.124 ( 2.048 -2.379 -0.111) 3.141 8.124 ( 2.048 2.379 -0.111) 3.141 8.228 ( -1.377 -1.831 0.330) 2.315 8.228 ( -1.377 1.831 0.330) 2.315 8.499 ( 3.739 -4.211 0.906) 5.704 8.499 ( 3.739 4.211 0.906) 5.704 8.711 ( -3.878 -1.666 0.798) 4.295 8.711 ( -3.878 1.666 0.798) 4.295 9.789 ( 2.146 -5.543 -1.393) 6.105 9.789 ( 2.146 5.543 -1.393) 6.105 9.896 ( -1.672 -6.689 -3.008) 7.522 9.896 ( -1.672 6.689 -3.008) 7.522 10.977 ( -0.371 -4.148 -0.003) 4.164 10.977 ( -0.371 4.148 -0.003) 4.164 11.032 ( -2.428 -4.254 -1.227) 5.050 11.032 ( -2.428 4.254 -1.227) 5.050 11.809 ( 4.724 -2.856 -3.356) 6.461 11.809 ( 4.724 2.856 -3.356) 6.461 12.012 ( -2.063 -1.804 -2.701) 3.848 12.012 ( -2.063 1.804 -2.701) 3.848 12.564 ( 8.550 -3.100 4.459) 10.129 12.564 ( 8.550 3.100 4.459) 10.129 13.113 ( -11.286 -2.791 2.138) 11.821 13.113 ( -11.286 2.791 2.138) 11.821 14.689 ( 7.656 -4.478 2.745) 9.285 14.689 ( 7.656 4.478 2.745) 9.285 15.022 ( -4.822 -3.185 1.657) 6.012 15.022 ( -4.822 3.185 1.657) 6.012 19.339 ( 0.298 -2.155 -1.074) 2.426 19.339 ( 0.298 2.155 -1.074) 2.426 19.376 ( -1.165 -5.027 -2.582) 5.770 19.376 ( -1.165 5.027 -2.582) 5.770 20.347 ( 7.671 -2.164 -1.805) 8.172 20.347 ( 7.671 2.164 -1.805) 8.172 20.764 ( -7.361 -2.015 -1.728) 7.825 20.764 ( -7.361 2.015 -1.728) 7.825 22.134 ( 4.628 -0.727 -0.405) 4.702 22.134 ( 4.628 0.727 -0.405) 4.702 22.470 ( -7.573 -0.610 -1.295) 7.707 22.470 ( -7.573 0.610 -1.295) 7.707 23.695 ( 3.502 -1.373 4.832) 6.123 23.695 ( 3.502 1.373 4.832) 6.123 23.793 ( 0.011 -3.068 1.704) 3.509 23.793 ( 0.011 3.068 1.704) 3.509 ======================= Grid point 204 (75/90) ======================= q-point: (-0.50 -0.50 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.453 ( -5.480 -2.699 -1.684) 6.337 2.453 ( -1.173 0.352 -1.684) 2.082 2.453 ( 1.173 -0.352 -1.684) 2.082 2.453 ( 5.480 2.699 -1.684) 6.337 2.735 ( -2.585 -6.606 4.413) 8.354 2.735 ( 2.419 -6.590 4.413) 8.292 2.735 ( -2.419 6.590 4.413) 8.292 2.735 ( 2.585 6.606 4.413) 8.354 3.627 ( -2.329 -5.730 -0.621) 6.216 3.627 ( -0.921 -5.629 -0.621) 5.737 3.627 ( 0.921 5.629 -0.621) 5.737 3.627 ( 2.329 5.730 -0.621) 6.216 3.972 ( -1.669 -11.361 4.410) 12.300 3.972 ( 1.574 -11.357 4.410) 12.285 3.972 ( -1.574 11.357 4.410) 12.285 3.972 ( 1.669 11.361 4.410) 12.300 4.292 ( -1.187 -8.673 -0.933) 8.803 4.292 ( 1.152 -8.672 -0.933) 8.798 4.292 ( -1.152 8.672 -0.933) 8.798 4.292 ( 1.187 8.673 -0.933) 8.803 4.946 ( -3.832 -3.374 -0.159) 5.108 4.946 ( 2.303 -3.007 -0.159) 3.791 4.946 ( -2.303 3.007 -0.159) 3.791 4.946 ( 3.832 3.374 -0.159) 5.108 5.417 ( -2.526 -9.997 -5.900) 11.880 5.417 ( -0.836 -9.926 -5.900) 11.577 5.417 ( 0.836 9.926 -5.900) 11.577 5.417 ( 2.526 9.997 -5.900) 11.880 6.218 ( -4.593 -6.815 -2.994) 8.746 6.218 ( -3.617 -6.666 -2.994) 8.154 6.218 ( 3.617 6.666 -2.994) 8.154 6.218 ( 4.593 6.815 -2.994) 8.746 6.878 ( -6.365 -8.331 0.643) 10.504 6.878 ( 2.656 -7.813 0.643) 8.277 6.878 ( -2.656 7.813 0.643) 8.277 6.878 ( 6.365 8.331 0.643) 10.504 7.227 ( -5.004 -1.505 -1.118) 5.344 7.227 ( -4.403 -0.922 -1.118) 4.635 7.227 ( 4.403 0.922 -1.118) 4.635 7.227 ( 5.004 1.505 -1.118) 5.344 8.180 ( -1.712 -5.847 -0.002) 6.093 8.180 ( 0.725 -5.795 -0.002) 5.841 8.180 ( -0.725 5.795 -0.002) 5.841 8.180 ( 1.712 5.847 -0.002) 6.093 8.604 ( -5.314 -2.696 1.013) 6.045 8.604 ( 0.357 -0.491 1.013) 1.180 8.604 ( -0.357 0.491 1.013) 1.180 8.604 ( 5.314 2.696 1.013) 6.045 9.846 ( -1.494 -13.415 -2.374) 13.705 9.846 ( 1.071 -13.405 -2.374) 13.656 9.846 ( -1.071 13.405 -2.374) 13.656 9.846 ( 1.494 13.415 -2.374) 13.705 10.986 ( -1.062 -5.100 -0.656) 5.251 10.986 ( 0.896 -5.093 -0.656) 5.212 10.986 ( -0.896 5.093 -0.656) 5.212 10.986 ( 1.062 5.100 -0.656) 5.251 11.927 ( -2.707 -7.945 -2.845) 8.862 11.927 ( -0.311 -7.830 -2.845) 8.337 11.927 ( 0.311 7.830 -2.845) 8.337 11.927 ( 2.707 7.945 -2.845) 8.862 12.822 ( -10.244 -8.264 3.299) 13.569 12.822 ( -5.426 -7.030 3.299) 9.473 12.822 ( 5.426 7.030 3.299) 9.473 12.822 ( 10.244 8.264 3.299) 13.569 14.874 ( -5.674 -8.658 2.166) 10.575 14.874 ( -0.266 -8.181 2.166) 8.467 14.874 ( 0.266 8.181 2.166) 8.467 14.874 ( 5.674 8.658 2.166) 10.575 19.352 ( -0.726 -4.898 -1.739) 5.248 19.352 ( 0.658 -4.896 -1.739) 5.237 19.352 ( -0.658 4.896 -1.739) 5.237 19.352 ( 0.726 4.898 -1.739) 5.248 20.558 ( -8.188 -5.961 -1.718) 10.273 20.558 ( -4.061 -4.785 -1.718) 6.507 20.558 ( 4.061 4.785 -1.718) 6.507 20.558 ( 8.188 5.961 -1.718) 10.273 22.283 ( -7.878 -1.282 -0.999) 8.044 22.283 ( -7.465 -0.248 -0.999) 7.536 22.283 ( 7.465 0.248 -0.999) 7.536 22.283 ( 7.878 1.282 -0.999) 8.044 23.768 ( -1.622 -4.323 3.209) 5.624 23.768 ( 0.509 -4.254 3.209) 5.353 23.768 ( -0.509 4.254 3.209) 5.353 23.768 ( 1.622 4.323 3.209) 5.624 ======================= Grid point 225 (76/90) ======================= q-point: ( 0.00 0.00 -0.50) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( 0.000 0.000 -6.274) 6.274 2.218 ( 0.000 0.000 6.274) 6.274 2.337 ( 0.000 0.000 -12.032) 12.032 2.337 ( 0.000 0.000 12.032) 12.032 2.379 ( 0.000 0.000 -13.365) 13.365 2.379 ( 0.000 0.000 13.365) 13.365 2.713 ( 0.000 0.000 -4.586) 4.586 2.713 ( 0.000 0.000 4.586) 4.586 2.943 ( 0.000 0.000 -6.262) 6.262 2.943 ( 0.000 0.000 6.262) 6.262 3.052 ( 0.000 0.000 -2.866) 2.866 3.052 ( 0.000 0.000 2.866) 2.866 3.713 ( 0.000 0.000 -0.408) 0.408 3.713 ( 0.000 0.000 0.408) 0.408 4.067 ( 0.000 0.000 -3.180) 3.180 4.067 ( 0.000 0.000 3.180) 3.180 4.344 ( 0.000 0.000 -4.632) 4.632 4.344 ( 0.000 0.000 4.632) 4.632 4.494 ( 0.000 0.000 -3.674) 3.674 4.494 ( 0.000 0.000 3.674) 3.674 4.576 ( 0.000 0.000 -2.141) 2.141 4.576 ( 0.000 0.000 2.141) 2.141 5.079 ( 0.000 0.000 -2.191) 2.191 5.079 ( 0.000 0.000 2.191) 2.191 5.349 ( 0.000 0.000 -19.030) 19.030 5.349 ( 0.000 0.000 19.030) 19.030 6.048 ( 0.000 0.000 -6.972) 6.972 6.048 ( 0.000 0.000 6.972) 6.972 6.075 ( 0.000 0.000 -8.343) 8.343 6.075 ( 0.000 0.000 8.343) 8.343 6.284 ( 0.000 0.000 -3.073) 3.073 6.284 ( 0.000 0.000 3.073) 3.073 6.297 ( 0.000 0.000 -9.452) 9.452 6.297 ( 0.000 0.000 9.452) 9.452 6.849 ( 0.000 0.000 -0.253) 0.253 6.849 ( 0.000 0.000 0.253) 0.253 6.894 ( 0.000 0.000 -2.386) 2.386 6.894 ( 0.000 0.000 2.386) 2.386 8.159 ( 0.000 0.000 -0.408) 0.408 8.159 ( 0.000 0.000 0.408) 0.408 8.243 ( 0.000 0.000 -1.611) 1.611 8.243 ( 0.000 0.000 1.611) 1.611 8.319 ( 0.000 0.000 -12.717) 12.717 8.319 ( 0.000 0.000 12.717) 12.717 8.556 ( 0.000 0.000 -3.140) 3.140 8.556 ( 0.000 0.000 3.140) 3.140 8.675 ( 0.000 0.000 -0.197) 0.197 8.675 ( 0.000 0.000 0.197) 0.197 9.265 ( 0.000 0.000 -2.468) 2.468 9.265 ( 0.000 0.000 2.468) 2.468 10.353 ( 0.000 0.000 -2.631) 2.631 10.353 ( 0.000 0.000 2.631) 2.631 10.726 ( 0.000 0.000 -0.217) 0.217 10.726 ( 0.000 0.000 0.217) 0.217 11.360 ( 0.000 0.000 -1.652) 1.652 11.360 ( 0.000 0.000 1.652) 1.652 11.643 ( 0.000 0.000 -5.401) 5.401 11.643 ( 0.000 0.000 5.401) 5.401 11.865 ( 0.000 0.000 -6.941) 6.941 11.865 ( 0.000 0.000 6.941) 6.941 12.295 ( 0.000 0.000 -5.555) 5.555 12.295 ( 0.000 0.000 5.555) 5.555 13.185 ( 0.000 0.000 -4.203) 4.203 13.185 ( 0.000 0.000 4.203) 4.203 14.669 ( 0.000 0.000 -12.140) 12.140 14.669 ( 0.000 0.000 12.140) 12.140 15.647 ( 0.000 0.000 -2.729) 2.729 15.647 ( 0.000 0.000 2.729) 2.729 18.617 ( 0.000 0.000 -0.779) 0.779 18.617 ( 0.000 0.000 0.779) 0.779 18.641 ( 0.000 0.000 -0.676) 0.676 18.641 ( 0.000 0.000 0.676) 0.676 20.496 ( 0.000 0.000 -1.474) 1.474 20.496 ( 0.000 0.000 1.474) 1.474 21.069 ( 0.000 0.000 -3.662) 3.662 21.069 ( 0.000 0.000 3.662) 3.662 22.069 ( 0.000 0.000 -1.495) 1.495 22.069 ( 0.000 0.000 1.495) 1.495 22.577 ( 0.000 0.000 -1.807) 1.807 22.577 ( 0.000 0.000 1.807) 1.807 23.775 ( 0.000 0.000 -2.108) 2.108 23.775 ( 0.000 0.000 2.108) 2.108 23.944 ( 0.000 0.000 -12.128) 12.128 23.944 ( 0.000 0.000 12.128) 12.128 ======================= Grid point 227 (77/90) ======================= q-point: ( 0.25 0.00 -0.50) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( -1.245 0.000 -5.035) 5.186 2.198 ( -1.245 0.000 5.035) 5.186 2.363 ( 1.623 0.000 -8.167) 8.327 2.363 ( 1.623 0.000 8.167) 8.327 2.420 ( 2.985 0.000 -9.855) 10.297 2.420 ( 2.985 0.000 9.855) 10.297 2.643 ( -12.645 0.000 -0.399) 12.652 2.643 ( -12.645 0.000 0.399) 12.652 2.707 ( -0.449 0.000 -3.483) 3.511 2.707 ( -0.449 0.000 3.483) 3.511 3.331 ( 10.546 0.000 -2.457) 10.828 3.331 ( 10.546 0.000 2.457) 10.828 3.747 ( 3.236 0.000 -1.476) 3.557 3.747 ( 3.236 0.000 1.476) 3.557 4.089 ( 1.605 0.000 -4.276) 4.567 4.089 ( 1.605 0.000 4.276) 4.567 4.362 ( 1.626 0.000 -7.690) 7.860 4.362 ( 1.626 0.000 7.690) 7.860 4.492 ( -0.332 0.000 -3.296) 3.313 4.492 ( -0.332 0.000 3.296) 3.313 4.538 ( -3.066 0.000 -4.362) 5.331 4.538 ( -3.066 0.000 4.362) 5.331 5.033 ( -3.061 0.000 -1.453) 3.388 5.033 ( -3.061 0.000 1.453) 3.388 5.337 ( -1.371 0.000 -15.149) 15.211 5.337 ( -1.371 0.000 15.149) 15.211 5.942 ( -6.695 0.000 -10.470) 12.427 5.942 ( -6.695 0.000 10.470) 12.427 6.079 ( 2.648 0.000 -6.528) 7.045 6.079 ( 2.648 0.000 6.528) 7.045 6.248 ( -2.978 0.000 -3.825) 4.848 6.248 ( -2.978 0.000 3.825) 4.848 6.435 ( 7.303 0.000 -4.469) 8.562 6.435 ( 7.303 0.000 4.469) 8.562 6.849 ( -0.001 0.000 -0.175) 0.175 6.849 ( -0.001 0.000 0.175) 0.175 6.907 ( 0.903 0.000 -1.720) 1.943 6.907 ( 0.903 0.000 1.720) 1.943 8.137 ( -1.003 0.000 -1.710) 1.982 8.137 ( -1.003 0.000 1.710) 1.982 8.257 ( 0.424 0.000 -2.035) 2.079 8.257 ( 0.424 0.000 2.035) 2.079 8.357 ( 3.208 0.000 -11.650) 12.083 8.357 ( 3.208 0.000 11.650) 12.083 8.524 ( -2.793 0.000 -5.440) 6.115 8.524 ( -2.793 0.000 5.440) 6.115 8.693 ( 1.271 0.000 -0.243) 1.294 8.693 ( 1.271 0.000 0.243) 1.294 9.265 ( 0.029 0.000 -1.741) 1.742 9.265 ( 0.029 0.000 1.741) 1.742 10.351 ( -0.136 0.000 -1.854) 1.859 10.351 ( -0.136 0.000 1.854) 1.859 10.775 ( 3.834 0.000 -0.368) 3.851 10.775 ( 3.834 0.000 0.368) 3.851 11.312 ( -3.780 0.000 -1.465) 4.054 11.312 ( -3.780 0.000 1.465) 4.054 11.657 ( 1.035 0.000 -3.485) 3.635 11.657 ( 1.035 0.000 3.485) 3.635 11.866 ( 0.070 0.000 -4.907) 4.907 11.866 ( 0.070 0.000 4.907) 4.907 12.295 ( 0.009 0.000 -3.931) 3.931 12.295 ( 0.009 0.000 3.931) 3.931 13.161 ( -1.697 0.000 -2.956) 3.409 13.161 ( -1.697 0.000 2.956) 3.409 14.693 ( 1.700 0.000 -8.902) 9.063 14.693 ( 1.700 0.000 8.902) 9.063 15.620 ( -1.982 0.000 -2.506) 3.195 15.620 ( -1.982 0.000 2.506) 3.195 18.616 ( -0.031 0.000 -0.535) 0.536 18.616 ( -0.031 0.000 0.535) 0.536 18.642 ( 0.034 0.000 -0.462) 0.464 18.642 ( 0.034 0.000 0.462) 0.464 20.564 ( 5.566 0.000 -2.902) 6.277 20.564 ( 5.566 0.000 2.902) 6.277 21.007 ( -5.163 0.000 -4.367) 6.763 21.007 ( -5.163 0.000 4.367) 6.763 22.103 ( 3.138 0.000 -1.664) 3.552 22.103 ( 3.138 0.000 1.664) 3.552 22.487 ( -7.073 0.000 -1.592) 7.250 22.487 ( -7.073 0.000 1.592) 7.250 23.747 ( -0.936 0.000 -0.732) 1.189 23.747 ( -0.936 0.000 0.732) 1.189 24.028 ( 4.898 0.000 -6.353) 8.022 24.028 ( 4.898 0.000 6.353) 8.022 ======================= Grid point 229 (78/90) ======================= q-point: (-0.50 0.00 -0.50) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( 0.000 0.000 0.000) 0.000 2.182 ( 0.000 0.000 0.000) 0.000 2.384 ( 0.000 0.000 -0.000) 0.000 2.384 ( 0.000 0.000 0.000) 0.000 2.477 ( 0.000 0.000 -0.000) 0.000 2.477 ( 0.000 0.000 0.001) 0.001 2.479 ( -0.000 0.000 -0.001) 0.001 2.479 ( -0.000 0.000 0.000) 0.000 2.701 ( 0.000 0.000 0.000) 0.000 2.701 ( 0.000 0.000 0.000) 0.000 3.440 ( -0.000 0.000 0.000) 0.000 3.440 ( 0.000 0.000 0.000) 0.000 3.808 ( 0.000 0.000 0.000) 0.000 3.808 ( -0.000 0.000 0.000) 0.000 4.112 ( -0.000 0.000 0.000) 0.000 4.112 ( 0.000 0.000 0.000) 0.000 4.398 ( -0.000 0.000 -0.000) 0.000 4.398 ( 0.000 0.000 0.000) 0.000 4.482 ( -0.000 0.000 0.000) 0.000 4.482 ( 0.000 0.000 0.000) 0.000 4.483 ( 0.000 0.000 0.000) 0.000 4.483 ( 0.000 0.000 0.000) 0.000 4.994 ( -0.000 0.000 0.000) 0.000 4.994 ( 0.000 0.000 0.000) 0.000 5.310 ( -0.000 0.000 0.000) 0.000 5.310 ( 0.000 0.000 0.000) 0.000 5.865 ( -0.000 0.000 -0.000) 0.000 5.865 ( 0.000 0.000 0.000) 0.000 6.138 ( -0.000 0.000 0.000) 0.000 6.138 ( -0.000 0.000 0.000) 0.000 6.185 ( 0.000 0.000 -0.000) 0.000 6.185 ( 0.000 0.000 -0.000) 0.000 6.524 ( 0.000 0.000 0.000) 0.000 6.524 ( 0.000 0.000 0.000) 0.000 6.849 ( 0.000 0.000 0.000) 0.000 6.849 ( 0.000 0.000 0.000) 0.000 6.919 ( 0.000 0.000 0.000) 0.000 6.919 ( 0.000 0.000 0.000) 0.000 8.128 ( -0.000 0.000 0.000) 0.000 8.128 ( -0.000 0.000 0.000) 0.000 8.258 ( 0.000 0.000 0.000) 0.000 8.258 ( 0.000 0.000 0.000) 0.000 8.441 ( -0.000 0.000 -0.000) 0.000 8.441 ( -0.000 0.000 -0.000) 0.000 8.446 ( -0.000 0.000 0.000) 0.000 8.446 ( 0.000 0.000 0.000) 0.000 8.710 ( 0.000 0.000 0.000) 0.000 8.710 ( 0.000 0.000 0.000) 0.000 9.266 ( 0.000 0.000 0.000) 0.000 9.266 ( 0.000 0.000 0.000) 0.000 10.349 ( -0.000 0.000 0.000) 0.000 10.349 ( 0.000 0.000 0.000) 0.000 10.836 ( 0.000 0.000 0.000) 0.000 10.836 ( 0.000 0.000 0.000) 0.000 11.252 ( 0.000 0.000 0.000) 0.000 11.252 ( -0.000 0.000 0.000) 0.000 11.672 ( 0.000 0.000 0.000) 0.000 11.672 ( 0.000 0.000 0.000) 0.000 11.867 ( -0.000 0.000 0.000) 0.000 11.867 ( 0.000 0.000 0.000) 0.000 12.295 ( -0.000 0.000 0.000) 0.000 12.295 ( 0.000 0.000 0.000) 0.000 13.137 ( 0.000 0.000 0.000) 0.000 13.137 ( 0.000 0.000 0.000) 0.000 14.717 ( -0.000 0.000 0.000) 0.000 14.717 ( 0.000 0.000 0.000) 0.000 15.591 ( -0.000 0.000 0.000) 0.000 15.591 ( 0.000 0.000 0.000) 0.000 18.616 ( 0.000 0.000 0.000) 0.000 18.616 ( 0.000 0.000 0.000) 0.000 18.642 ( 0.000 0.000 0.000) 0.000 18.642 ( 0.000 0.000 0.000) 0.000 20.664 ( 0.000 0.000 0.000) 0.000 20.664 ( 0.000 0.000 0.000) 0.000 20.913 ( -0.000 0.000 0.000) 0.000 20.913 ( 0.000 0.000 0.000) 0.000 22.170 ( 0.000 0.000 0.000) 0.000 22.170 ( -0.000 0.000 0.000) 0.000 22.366 ( 0.000 0.000 0.000) 0.000 22.366 ( 0.000 0.000 0.000) 0.000 23.741 ( -0.000 0.000 0.000) 0.000 23.741 ( 0.000 0.000 0.000) 0.000 24.089 ( 0.000 0.000 0.000) 0.000 24.089 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 235 (79/90) ======================= q-point: ( 0.00 0.12 -0.50) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( 0.000 4.167 -2.736) 4.984 2.282 ( 0.000 4.167 2.736) 4.984 2.427 ( 0.000 6.613 -0.047) 6.614 2.427 ( 0.000 6.613 0.047) 6.614 2.490 ( 0.000 13.215 -3.316) 13.624 2.490 ( 0.000 13.215 3.316) 13.624 2.809 ( 0.000 6.440 -4.313) 7.751 2.809 ( 0.000 6.440 4.313) 7.751 2.983 ( 0.000 5.970 -5.457) 8.088 2.983 ( 0.000 5.970 5.457) 8.088 3.061 ( 0.000 2.544 -2.881) 3.843 3.061 ( 0.000 2.544 2.881) 3.843 3.671 ( 0.000 -4.044 -0.169) 4.047 3.671 ( 0.000 -4.044 0.169) 4.047 4.043 ( 0.000 -2.333 -2.834) 3.670 4.043 ( 0.000 -2.333 2.834) 3.670 4.276 ( 0.000 -4.502 -6.494) 7.902 4.276 ( 0.000 -4.502 6.494) 7.902 4.578 ( 0.000 7.286 -3.444) 8.059 4.578 ( 0.000 7.286 3.444) 8.059 4.622 ( 0.000 3.021 -0.925) 3.160 4.622 ( 0.000 3.021 0.925) 3.160 5.051 ( 0.000 -2.786 -2.033) 3.449 5.051 ( 0.000 -2.786 2.033) 3.449 5.341 ( 0.000 -0.949 -17.535) 17.561 5.341 ( 0.000 -0.949 17.535) 17.561 5.847 ( 0.000 -10.662 -1.254) 10.735 5.847 ( 0.000 -10.662 1.254) 10.735 6.175 ( 0.000 -5.815 -4.700) 7.477 6.175 ( 0.000 -5.815 4.700) 7.477 6.266 ( 0.000 8.020 -2.282) 8.339 6.266 ( 0.000 8.020 2.282) 8.339 6.360 ( 0.000 3.427 -2.648) 4.331 6.360 ( 0.000 3.427 2.648) 4.331 6.885 ( 0.000 3.267 -5.520) 6.415 6.885 ( 0.000 3.267 5.520) 6.415 6.951 ( 0.000 5.466 -3.692) 6.596 6.951 ( 0.000 5.466 3.692) 6.596 8.057 ( 0.000 -10.847 -0.616) 10.865 8.057 ( 0.000 -10.847 0.616) 10.865 8.182 ( 0.000 -4.125 -0.068) 4.125 8.182 ( 0.000 -4.125 0.068) 4.125 8.332 ( 0.000 0.958 -10.487) 10.531 8.332 ( 0.000 0.958 10.487) 10.531 8.582 ( 0.000 0.013 -2.666) 2.666 8.582 ( 0.000 0.013 2.666) 2.666 8.633 ( 0.000 -1.676 -0.813) 1.863 8.633 ( 0.000 -1.676 0.813) 1.863 9.317 ( 0.000 4.746 -2.101) 5.190 9.317 ( 0.000 4.746 2.101) 5.190 10.322 ( 0.000 -3.106 -0.761) 3.198 10.322 ( 0.000 -3.106 0.761) 3.198 10.752 ( 0.000 2.364 -0.045) 2.364 10.752 ( 0.000 2.364 0.045) 2.364 11.334 ( 0.000 -2.657 -1.380) 2.994 11.334 ( 0.000 -2.657 1.380) 2.994 11.646 ( 0.000 0.524 -1.860) 1.933 11.646 ( 0.000 0.524 1.860) 1.933 11.891 ( 0.000 2.417 -5.156) 5.694 11.891 ( 0.000 2.417 5.156) 5.694 12.333 ( 0.000 3.644 -3.164) 4.826 12.333 ( 0.000 3.644 3.164) 4.826 13.187 ( 0.000 0.346 -4.436) 4.449 13.187 ( 0.000 0.346 4.436) 4.449 14.662 ( 0.000 -0.717 -11.282) 11.304 14.662 ( 0.000 -0.717 11.282) 11.304 15.556 ( 0.000 -8.557 -3.366) 9.195 15.556 ( 0.000 -8.557 3.366) 9.195 18.718 ( 0.000 8.650 -0.662) 8.676 18.718 ( 0.000 8.650 0.662) 8.676 18.750 ( 0.000 11.549 -2.139) 11.746 18.750 ( 0.000 11.549 2.139) 11.746 20.464 ( 0.000 -3.212 -1.616) 3.595 20.464 ( 0.000 -3.212 1.616) 3.595 21.046 ( 0.000 -2.377 -3.286) 4.055 21.046 ( 0.000 -2.377 3.286) 4.055 22.071 ( 0.000 0.238 -1.412) 1.432 22.071 ( 0.000 0.238 1.412) 1.432 22.573 ( 0.000 -0.404 -1.648) 1.697 22.573 ( 0.000 -0.404 1.648) 1.697 23.765 ( 0.000 -1.025 -1.873) 2.135 23.765 ( 0.000 -1.025 1.873) 2.135 23.921 ( 0.000 -2.245 -10.950) 11.178 23.921 ( 0.000 -2.245 10.950) 11.178 ======================= Grid point 237 (80/90) ======================= q-point: ( 0.25 0.12 -0.50) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.294 ( 1.278 5.150 -3.194) 6.194 2.294 ( 1.278 5.150 3.194) 6.194 2.437 ( -0.619 6.669 -7.823) 10.298 2.437 ( -0.619 6.669 7.823) 10.298 2.486 ( 0.394 8.670 -4.310) 9.690 2.486 ( 0.394 8.670 4.310) 9.690 2.662 ( -11.103 2.980 -1.287) 11.568 2.662 ( -11.103 2.980 1.287) 11.568 2.849 ( 0.080 13.407 -3.068) 13.754 2.849 ( 0.080 13.407 3.068) 13.754 3.330 ( 9.771 0.496 -2.178) 10.023 3.330 ( 9.771 0.496 2.178) 10.023 3.690 ( 1.944 -4.986 -1.448) 5.544 3.690 ( 1.944 -4.986 1.448) 5.544 4.072 ( 2.298 -1.797 -3.753) 4.753 4.072 ( 2.298 -1.797 3.753) 4.753 4.286 ( 0.646 -4.693 -6.089) 7.715 4.286 ( 0.646 -4.693 6.089) 7.715 4.576 ( -0.534 6.816 -4.236) 8.043 4.576 ( -0.534 6.816 4.236) 8.043 4.603 ( -1.058 4.481 -3.245) 5.632 4.603 ( -1.058 4.481 3.245) 5.632 5.021 ( -1.984 -1.229 -1.240) 2.643 5.021 ( -1.984 -1.229 1.240) 2.643 5.313 ( -2.530 -2.442 -13.444) 13.896 5.313 ( -2.530 -2.442 13.444) 13.896 5.821 ( -1.656 -8.270 -3.777) 9.241 5.821 ( -1.656 -8.270 3.777) 9.241 6.140 ( -1.143 -0.438 -1.041) 1.607 6.140 ( -1.143 -0.438 1.041) 1.607 6.265 ( -0.763 3.879 -1.377) 4.186 6.265 ( -0.763 3.879 1.377) 4.186 6.435 ( 4.595 1.279 -3.065) 5.669 6.435 ( 4.595 1.279 3.065) 5.669 6.895 ( 1.004 2.380 -5.411) 5.996 6.895 ( 1.004 2.380 5.411) 5.996 6.953 ( -0.065 5.792 -4.046) 7.065 6.953 ( -0.065 5.792 4.046) 7.065 8.031 ( -1.518 -10.657 -0.837) 10.797 8.031 ( -1.518 -10.657 0.837) 10.797 8.190 ( 0.188 -4.989 -2.224) 5.466 8.190 ( 0.188 -4.989 2.224) 5.466 8.372 ( 3.408 1.038 -9.055) 9.731 8.372 ( 3.408 1.038 9.055) 9.731 8.553 ( -2.506 1.414 -4.149) 5.049 8.553 ( -2.506 1.414 4.149) 5.049 8.645 ( 0.804 -3.360 -1.637) 3.823 8.645 ( 0.804 -3.360 1.637) 3.823 9.318 ( 0.055 4.752 -1.474) 4.975 9.318 ( 0.055 4.752 1.474) 4.975 10.332 ( 0.675 -2.247 -0.638) 2.431 10.332 ( 0.675 -2.247 0.638) 2.431 10.783 ( 2.510 0.918 -0.212) 2.681 10.783 ( 2.510 0.918 0.212) 2.681 11.285 ( -3.744 -2.641 -1.193) 4.734 11.285 ( -3.744 -2.641 1.193) 4.734 11.635 ( -0.509 -0.717 -1.446) 1.692 11.635 ( -0.509 -0.717 1.446) 1.692 11.958 ( 4.852 6.962 -4.398) 9.558 11.958 ( 4.852 6.962 4.398) 9.558 12.305 ( -2.327 1.546 -2.679) 3.870 12.305 ( -2.327 1.546 2.679) 3.870 13.158 ( -2.098 -0.313 -3.121) 3.774 13.158 ( -2.098 -0.313 3.121) 3.774 14.687 ( 1.878 -0.414 -8.268) 8.489 14.687 ( 1.878 -0.414 8.268) 8.489 15.532 ( -1.768 -8.322 -2.834) 8.967 15.532 ( -1.768 -8.322 2.834) 8.967 18.721 ( 0.209 8.489 -0.720) 8.522 18.721 ( 0.209 8.489 0.720) 8.522 18.746 ( -0.307 11.590 -1.727) 11.722 18.746 ( -0.307 11.590 1.727) 11.722 20.532 ( 5.583 -3.175 -2.817) 7.013 20.532 ( 5.583 -3.175 2.817) 7.013 20.983 ( -5.262 -2.521 -4.037) 7.095 20.983 ( -5.262 -2.521 4.037) 7.095 22.107 ( 3.273 0.394 -1.566) 3.650 22.107 ( 3.273 0.394 1.566) 3.650 22.482 ( -7.108 -0.424 -1.461) 7.269 22.482 ( -7.108 -0.424 1.461) 7.269 23.742 ( -0.678 -0.487 -0.610) 1.034 23.742 ( -0.678 -0.487 0.610) 1.034 23.999 ( 4.583 -2.855 -5.746) 7.885 23.999 ( 4.583 -2.855 5.746) 7.885 ======================= Grid point 239 (81/90) ======================= q-point: (-0.50 0.12 -0.50) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.324 ( 0.000 9.131 0.000) 9.131 2.324 ( 0.000 9.131 0.000) 9.131 2.398 ( -0.000 0.800 -0.000) 0.800 2.398 ( 0.000 0.800 0.000) 0.800 2.513 ( 0.000 7.340 -0.000) 7.340 2.513 ( 0.000 7.340 0.000) 7.340 2.522 ( -0.000 4.588 -0.000) 4.588 2.522 ( -0.000 4.588 0.000) 4.588 2.857 ( 0.000 14.745 0.000) 14.745 2.857 ( 0.000 14.745 0.000) 14.745 3.430 ( -0.000 -0.737 0.000) 0.737 3.430 ( 0.000 -0.737 0.000) 0.737 3.727 ( -0.000 -6.398 0.000) 6.398 3.727 ( -0.000 -6.398 0.000) 6.398 4.111 ( -0.000 -0.695 0.000) 0.695 4.111 ( 0.000 -0.695 0.000) 0.695 4.290 ( -0.000 -5.722 0.000) 5.722 4.290 ( 0.000 -5.722 0.000) 5.722 4.575 ( 0.000 8.832 -0.000) 8.832 4.575 ( -0.000 8.832 0.000) 8.832 4.579 ( 0.000 4.140 -0.000) 4.140 4.579 ( 0.000 4.140 0.000) 4.140 4.997 ( -0.000 0.365 0.000) 0.365 4.997 ( -0.000 0.365 0.000) 0.365 5.270 ( 0.000 -3.819 0.000) 3.819 5.270 ( 0.000 -3.819 0.000) 3.819 5.801 ( 0.000 -5.691 -0.000) 5.691 5.801 ( 0.000 -5.691 0.000) 5.691 6.133 ( -0.000 -1.212 0.000) 1.212 6.133 ( 0.000 -1.212 0.000) 1.212 6.250 ( 0.000 5.400 -0.000) 5.400 6.250 ( 0.000 5.400 -0.000) 5.400 6.492 ( 0.000 -0.845 0.000) 0.845 6.492 ( 0.000 -0.845 0.000) 0.845 6.916 ( -0.000 -0.072 0.000) 0.072 6.916 ( 0.000 -0.072 0.000) 0.072 6.946 ( -0.000 7.868 0.000) 7.868 6.946 ( 0.000 7.868 0.000) 7.868 8.013 ( -0.000 -11.081 0.000) 11.081 8.013 ( 0.000 -11.081 0.000) 11.081 8.189 ( -0.000 -5.232 0.000) 5.232 8.189 ( 0.000 -5.232 0.000) 5.232 8.441 ( -0.000 -0.345 -0.000) 0.345 8.441 ( 0.000 -0.345 0.000) 0.345 8.497 ( -0.000 3.776 0.000) 3.776 8.497 ( 0.000 3.776 0.000) 3.776 8.656 ( 0.000 -4.585 0.000) 4.585 8.656 ( 0.000 -4.585 0.000) 4.585 9.318 ( 0.000 4.757 0.000) 4.757 9.318 ( 0.000 4.757 0.000) 4.757 10.341 ( 0.000 -1.353 0.000) 1.353 10.341 ( 0.000 -1.353 0.000) 1.353 10.823 ( 0.000 -0.864 0.000) 0.864 10.823 ( 0.000 -0.864 0.000) 0.864 11.228 ( 0.000 -2.308 0.000) 2.308 11.228 ( -0.000 -2.308 0.000) 2.308 11.630 ( 0.000 -1.337 0.000) 1.337 11.630 ( 0.000 -1.337 0.000) 1.337 12.032 ( -0.000 13.414 0.000) 13.414 12.032 ( 0.000 13.414 0.000) 13.414 12.264 ( -0.000 -3.085 0.000) 3.085 12.264 ( 0.000 -3.085 0.000) 3.085 13.128 ( 0.000 -0.978 0.000) 0.978 13.128 ( 0.000 -0.978 0.000) 0.978 14.714 ( 0.000 -0.111 0.000) 0.111 14.714 ( 0.000 -0.111 0.000) 0.111 15.507 ( -0.000 -8.104 0.000) 8.104 15.507 ( 0.000 -8.104 0.000) 8.104 18.724 ( -0.000 8.040 -0.000) 8.040 18.724 ( 0.000 8.040 -0.000) 8.040 18.741 ( -0.000 11.923 0.000) 11.923 18.741 ( 0.000 11.923 0.000) 11.923 20.632 ( 0.000 -3.123 0.000) 3.123 20.632 ( 0.000 -3.123 0.000) 3.123 20.888 ( -0.000 -2.675 0.000) 2.675 20.888 ( 0.000 -2.675 0.000) 2.675 22.177 ( 0.000 0.806 0.000) 0.806 22.177 ( -0.000 0.806 0.000) 0.806 22.359 ( 0.000 -0.692 0.000) 0.692 22.359 ( 0.000 -0.692 0.000) 0.692 23.739 ( -0.000 -0.194 0.000) 0.194 23.739 ( 0.000 -0.194 0.000) 0.194 24.056 ( 0.000 -3.236 0.000) 3.236 24.056 ( 0.000 -3.236 0.000) 3.236 ======================= Grid point 245 (82/90) ======================= q-point: ( 0.00 0.25 -0.50) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.357 ( 0.000 4.060 -3.039) 5.071 2.357 ( 0.000 4.060 3.039) 5.071 2.582 ( 0.000 7.450 -6.349) 9.788 2.582 ( 0.000 7.450 6.349) 9.788 2.727 ( 0.000 5.131 -2.838) 5.863 2.727 ( 0.000 5.131 2.838) 5.864 2.867 ( 0.000 4.375 -4.755) 6.461 2.867 ( 0.000 4.375 4.755) 6.461 3.161 ( 0.000 11.091 -4.332) 11.907 3.161 ( 0.000 11.091 4.332) 11.907 3.287 ( 0.000 18.130 -3.670) 18.497 3.287 ( 0.000 18.130 3.670) 18.497 3.581 ( 0.000 -3.803 -1.053) 3.946 3.581 ( 0.000 -3.803 1.053) 3.946 3.982 ( 0.000 -3.823 -1.643) 4.161 3.982 ( 0.000 -3.823 1.643) 4.161 4.221 ( 0.000 -0.419 -10.305) 10.313 4.221 ( 0.000 -0.419 10.305) 10.313 4.622 ( 0.000 -2.582 -3.680) 4.496 4.622 ( 0.000 -2.582 3.680) 4.496 4.771 ( 0.000 10.167 -0.070) 10.167 4.771 ( 0.000 10.167 0.070) 10.167 4.987 ( 0.000 -2.466 -1.545) 2.910 4.987 ( 0.000 -2.466 1.545) 2.910 5.291 ( 0.000 -4.874 -11.350) 12.353 5.291 ( 0.000 -4.874 11.350) 12.353 5.677 ( 0.000 -5.869 -4.991) 7.704 5.677 ( 0.000 -5.869 4.991) 7.704 6.036 ( 0.000 -6.968 -4.733) 8.423 6.036 ( 0.000 -6.968 4.733) 8.423 6.406 ( 0.000 3.943 -3.777) 5.460 6.406 ( 0.000 3.943 3.777) 5.460 6.432 ( 0.000 5.212 -4.283) 6.746 6.432 ( 0.000 5.212 4.283) 6.746 6.970 ( 0.000 5.168 -6.151) 8.034 6.970 ( 0.000 5.168 6.151) 8.034 7.069 ( 0.000 5.479 -4.807) 7.289 7.069 ( 0.000 5.479 4.807) 7.289 7.776 ( 0.000 -16.336 -0.912) 16.362 7.776 ( 0.000 -16.336 0.912) 16.362 8.107 ( 0.000 -3.126 -0.003) 3.126 8.107 ( 0.000 -3.126 0.003) 3.126 8.349 ( 0.000 0.310 -5.528) 5.537 8.349 ( 0.000 0.310 5.528) 5.537 8.502 ( 0.000 -4.804 -3.112) 5.724 8.502 ( 0.000 -4.804 3.112) 5.724 8.677 ( 0.000 3.421 -1.829) 3.879 8.677 ( 0.000 3.421 1.829) 3.879 9.433 ( 0.000 7.010 -1.643) 7.200 9.433 ( 0.000 7.010 1.643) 7.200 10.228 ( 0.000 -6.753 -2.020) 7.049 10.228 ( 0.000 -6.753 2.020) 7.049 10.812 ( 0.000 3.776 -0.340) 3.791 10.812 ( 0.000 3.776 0.340) 3.791 11.259 ( 0.000 -4.940 -0.287) 4.948 11.259 ( 0.000 -4.940 0.287) 4.948 11.668 ( 0.000 1.587 -2.745) 3.171 11.668 ( 0.000 1.587 2.745) 3.171 11.945 ( 0.000 2.740 -2.318) 3.589 11.945 ( 0.000 2.740 2.318) 3.589 12.418 ( 0.000 4.510 -0.849) 4.589 12.418 ( 0.000 4.510 0.849) 4.589 13.204 ( 0.000 1.526 -4.507) 4.758 13.204 ( 0.000 1.526 4.507) 4.758 14.645 ( 0.000 -0.920 -8.783) 8.831 14.645 ( 0.000 -0.920 8.783) 8.831 15.354 ( 0.000 -10.992 -3.819) 11.637 15.354 ( 0.000 -10.992 3.819) 11.637 18.935 ( 0.000 12.804 -1.020) 12.844 18.935 ( 0.000 12.804 1.020) 12.844 19.032 ( 0.000 15.508 -3.709) 15.945 19.032 ( 0.000 15.508 3.709) 15.945 20.379 ( 0.000 -5.163 -1.891) 5.498 20.379 ( 0.000 -5.163 1.891) 5.498 20.978 ( 0.000 -4.462 -2.271) 5.006 20.978 ( 0.000 -4.462 2.271) 5.006 22.077 ( 0.000 0.295 -1.134) 1.172 22.077 ( 0.000 0.295 1.134) 1.172 22.563 ( 0.000 -0.534 -1.219) 1.331 22.563 ( 0.000 -0.534 1.219) 1.331 23.739 ( 0.000 -1.405 -1.266) 1.892 23.739 ( 0.000 -1.405 1.266) 1.892 23.867 ( 0.000 -2.976 -7.971) 8.508 23.867 ( 0.000 -2.976 7.971) 8.508 ======================= Grid point 247 (83/90) ======================= q-point: ( 0.25 0.25 -0.50) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( 0.490 2.632 -3.160) 4.142 2.356 ( 0.490 2.632 3.160) 4.142 2.525 ( -5.819 2.171 -4.526) 7.685 2.525 ( -5.819 2.171 4.527) 7.685 2.659 ( -2.287 5.885 -1.791) 6.563 2.659 ( -2.287 5.885 1.791) 6.563 2.828 ( -4.346 10.690 -4.777) 12.489 2.828 ( -4.346 10.690 4.777) 12.489 3.159 ( 3.732 15.728 -3.517) 16.543 3.159 ( 3.732 15.728 3.517) 16.543 3.404 ( 3.714 8.508 -0.636) 9.305 3.404 ( 3.714 8.508 0.636) 9.305 3.608 ( 2.730 -1.129 -1.291) 3.224 3.608 ( 2.730 -1.129 1.291) 3.224 4.024 ( 3.362 -2.741 -3.003) 5.275 4.024 ( 3.362 -2.741 3.003) 5.275 4.225 ( -0.024 -1.233 -7.852) 7.948 4.225 ( -0.024 -1.233 7.852) 7.948 4.604 ( -1.288 -2.890 -1.531) 3.515 4.604 ( -1.288 -2.890 1.531) 3.515 4.778 ( 0.810 10.460 -2.578) 10.803 4.778 ( 0.810 10.460 2.578) 10.803 4.993 ( 0.351 -0.746 -1.344) 1.576 4.993 ( 0.351 -0.746 1.344) 1.576 5.240 ( -3.933 -5.131 -8.417) 10.613 5.240 ( -3.933 -5.131 8.417) 10.613 5.673 ( -0.216 -6.339 -3.841) 7.415 5.673 ( -0.216 -6.339 3.841) 7.415 6.060 ( 1.831 -5.068 -2.560) 5.966 6.060 ( 1.831 -5.068 2.561) 5.966 6.367 ( -1.980 4.052 -3.467) 5.689 6.367 ( -1.980 4.052 3.467) 5.689 6.495 ( 3.498 4.597 -4.262) 7.179 6.495 ( 3.498 4.597 4.262) 7.179 6.951 ( -1.399 3.819 -5.160) 6.570 6.951 ( -1.399 3.819 5.160) 6.570 7.081 ( 0.951 5.831 -3.648) 6.944 7.081 ( 0.951 5.831 3.648) 6.944 7.752 ( -1.696 -16.558 -0.705) 16.659 7.752 ( -1.696 -16.558 0.705) 16.659 8.105 ( -0.194 -3.091 -1.719) 3.542 8.105 ( -0.194 -3.091 1.719) 3.542 8.379 ( 2.147 -1.081 -4.135) 4.783 8.379 ( 2.147 -1.081 4.135) 4.783 8.514 ( 1.343 -3.262 -4.357) 5.606 8.514 ( 1.343 -3.262 4.357) 5.606 8.648 ( -2.559 2.532 -2.881) 4.610 8.648 ( -2.559 2.532 2.881) 4.610 9.433 ( 0.011 6.958 -1.168) 7.056 9.433 ( 0.011 6.958 1.168) 7.056 10.247 ( 1.387 -6.805 -1.421) 7.089 10.247 ( 1.387 -6.805 1.421) 7.089 10.818 ( 0.484 2.785 -0.263) 2.839 10.818 ( 0.484 2.785 0.263) 2.839 11.213 ( -3.266 -4.556 -0.316) 5.615 11.213 ( -3.266 -4.556 0.316) 5.615 11.655 ( -0.447 2.708 -1.412) 3.087 11.655 ( -0.447 2.708 1.412) 3.087 12.050 ( 7.676 1.239 -1.361) 7.894 12.050 ( 7.676 1.239 1.361) 7.894 12.387 ( -2.823 7.048 -1.392) 7.719 12.387 ( -2.823 7.048 1.392) 7.719 13.150 ( -3.941 -0.449 -3.345) 5.189 13.150 ( -3.941 -0.449 3.345) 5.189 14.683 ( 2.767 0.123 -6.526) 7.090 14.683 ( 2.767 0.123 6.526) 7.090 15.331 ( -1.689 -11.189 -3.104) 11.733 15.331 ( -1.689 -11.189 3.104) 11.733 18.933 ( -0.085 12.616 -0.708) 12.636 18.933 ( -0.085 12.616 0.708) 12.636 19.029 ( -0.188 15.559 -2.575) 15.772 19.029 ( -0.188 15.559 2.575) 15.772 20.449 ( 5.800 -4.908 -2.589) 8.026 20.449 ( 5.800 -4.908 2.589) 8.026 20.910 ( -5.627 -4.794 -3.150) 8.035 20.910 ( -5.627 -4.794 3.150) 8.035 22.116 ( 3.661 0.561 -1.253) 3.910 22.116 ( 3.661 0.561 1.253) 3.910 22.472 ( -7.225 -0.574 -1.101) 7.331 22.472 ( -7.225 -0.574 1.101) 7.331 23.733 ( 0.089 -0.350 -0.291) 0.464 23.733 ( 0.089 -0.350 0.291) 0.464 23.927 ( 3.649 -4.174 -4.302) 7.018 23.927 ( 3.649 -4.174 4.302) 7.018 ======================= Grid point 249 (84/90) ======================= q-point: (-0.50 0.25 -0.50) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.395 ( 0.000 1.086 -0.000) 1.086 2.395 ( 0.000 1.086 0.000) 1.086 2.409 ( -0.000 0.587 -0.000) 0.587 2.409 ( -0.000 0.587 0.000) 0.587 2.633 ( -0.000 5.649 0.000) 5.649 2.633 ( 0.000 5.649 0.000) 5.649 2.773 ( -0.000 12.063 -0.000) 12.063 2.773 ( 0.000 12.063 0.000) 12.063 3.220 ( -0.000 20.618 0.000) 20.618 3.220 ( 0.000 20.618 0.000) 20.618 3.431 ( 0.000 1.448 0.000) 1.448 3.431 ( 0.000 1.448 0.000) 1.448 3.650 ( 0.000 0.983 0.000) 0.983 3.650 ( -0.000 0.983 0.000) 0.983 4.082 ( -0.000 -1.645 0.000) 1.645 4.082 ( 0.000 -1.645 0.000) 1.645 4.214 ( -0.000 -2.177 0.000) 2.177 4.214 ( 0.000 -2.177 0.000) 2.177 4.589 ( 0.000 -3.256 0.000) 3.256 4.589 ( 0.000 -3.256 0.000) 3.256 4.792 ( 0.000 12.300 0.000) 12.300 4.792 ( 0.000 12.300 0.000) 12.300 4.999 ( -0.000 -0.704 0.000) 0.704 4.999 ( 0.000 -0.704 0.000) 0.704 5.179 ( 0.000 -4.761 0.000) 4.761 5.179 ( 0.000 -4.761 0.000) 4.761 5.671 ( 0.000 -7.195 0.000) 7.195 5.671 ( 0.000 -7.195 0.000) 7.195 6.089 ( 0.000 -2.335 0.000) 2.335 6.089 ( 0.000 -2.335 0.000) 2.335 6.339 ( 0.000 2.350 -0.000) 2.350 6.339 ( -0.000 2.350 0.000) 2.350 6.540 ( 0.000 5.514 0.000) 5.514 6.540 ( 0.000 5.514 0.000) 5.514 6.931 ( 0.000 1.884 0.000) 1.884 6.931 ( 0.000 1.884 0.000) 1.884 7.096 ( 0.000 6.546 0.000) 6.546 7.096 ( 0.000 6.546 0.000) 6.546 7.728 ( -0.000 -17.068 0.000) 17.068 7.728 ( 0.000 -17.068 0.000) 17.068 8.102 ( -0.000 -2.892 0.000) 2.892 8.102 ( 0.000 -2.892 0.000) 2.892 8.407 ( 0.000 -3.689 0.000) 3.689 8.407 ( 0.000 -3.689 0.000) 3.689 8.565 ( -0.000 2.974 -0.000) 2.974 8.565 ( 0.000 2.974 0.000) 2.974 8.581 ( 0.000 -1.848 -0.000) 1.848 8.581 ( -0.000 -1.848 0.000) 1.848 9.433 ( 0.000 6.906 0.000) 6.906 9.433 ( 0.000 6.906 0.000) 6.906 10.266 ( 0.000 -6.839 0.000) 6.839 10.266 ( 0.000 -6.839 0.000) 6.839 10.826 ( 0.000 1.560 0.000) 1.560 10.826 ( 0.000 1.560 0.000) 1.560 11.167 ( 0.000 -3.878 0.000) 3.878 11.167 ( 0.000 -3.878 0.000) 3.878 11.652 ( 0.000 3.499 0.000) 3.499 11.652 ( 0.000 3.499 0.000) 3.499 12.178 ( -0.000 -5.649 0.000) 5.649 12.178 ( 0.000 -5.649 0.000) 5.649 12.324 ( -0.000 15.603 0.000) 15.603 12.324 ( 0.000 15.603 0.000) 15.603 13.094 ( 0.000 -2.755 0.000) 2.755 13.094 ( 0.000 -2.755 0.000) 2.755 14.722 ( 0.000 1.242 0.000) 1.242 14.722 ( 0.000 1.242 0.000) 1.242 15.306 ( -0.000 -11.522 0.000) 11.522 15.306 ( 0.000 -11.522 0.000) 11.522 18.932 ( 0.000 12.429 -0.000) 12.429 18.932 ( 0.000 12.429 -0.000) 12.429 19.027 ( -0.000 15.614 0.000) 15.614 19.027 ( 0.000 15.614 0.000) 15.614 20.554 ( 0.000 -4.306 0.000) 4.306 20.554 ( 0.000 -4.306 0.000) 4.306 20.808 ( -0.000 -5.469 0.000) 5.469 20.808 ( 0.000 -5.469 0.000) 5.469 22.200 ( 0.000 1.500 0.000) 1.500 22.200 ( 0.000 1.500 0.000) 1.500 22.339 ( 0.000 -1.280 0.000) 1.280 22.339 ( 0.000 -1.280 0.000) 1.280 23.738 ( -0.000 0.237 0.000) 0.237 23.738 ( 0.000 0.237 0.000) 0.237 23.973 ( 0.000 -4.919 0.000) 4.919 23.973 ( 0.000 -4.919 0.000) 4.919 ======================= Grid point 255 (85/90) ======================= q-point: ( 0.00 0.38 -0.50) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.448 ( 0.000 5.207 -2.776) 5.901 2.448 ( 0.000 5.207 2.776) 5.901 2.658 ( 0.000 -2.588 -4.368) 5.077 2.658 ( 0.000 -2.588 4.368) 5.077 2.714 ( 0.000 0.991 -2.359) 2.559 2.714 ( 0.000 0.991 2.359) 2.559 3.012 ( 0.000 6.083 -3.264) 6.904 3.012 ( 0.000 6.083 3.264) 6.904 3.322 ( 0.000 3.150 -3.056) 4.389 3.322 ( 0.000 3.150 3.056) 4.389 3.569 ( 0.000 8.148 -4.019) 9.085 3.569 ( 0.000 8.148 4.019) 9.085 3.651 ( 0.000 11.614 -0.797) 11.642 3.651 ( 0.000 11.614 0.797) 11.642 3.907 ( 0.000 -2.860 -1.939) 3.456 3.907 ( 0.000 -2.860 1.939) 3.456 4.266 ( 0.000 4.489 -9.850) 10.825 4.266 ( 0.000 4.489 9.850) 10.825 4.516 ( 0.000 -7.530 -2.289) 7.870 4.516 ( 0.000 -7.530 2.289) 7.870 4.845 ( 0.000 -1.866 -1.153) 2.193 4.845 ( 0.000 -1.866 1.153) 2.193 5.074 ( 0.000 9.292 -1.467) 9.407 5.074 ( 0.000 9.292 1.467) 9.407 5.164 ( 0.000 -6.588 -5.965) 8.887 5.164 ( 0.000 -6.589 5.965) 8.887 5.616 ( 0.000 -1.114 -5.496) 5.607 5.616 ( 0.000 -1.114 5.496) 5.607 5.932 ( 0.000 -3.251 -2.727) 4.244 5.932 ( 0.000 -3.251 2.727) 4.244 6.438 ( 0.000 0.370 -1.023) 1.088 6.438 ( 0.000 0.370 1.023) 1.088 6.538 ( 0.000 4.844 -0.614) 4.883 6.538 ( 0.000 4.844 0.614) 4.883 7.035 ( 0.000 -1.300 -4.460) 4.646 7.035 ( 0.000 -1.300 4.460) 4.646 7.145 ( 0.000 3.205 -2.450) 4.034 7.145 ( 0.000 3.205 2.450) 4.034 7.493 ( 0.000 -10.309 -0.042) 10.309 7.493 ( 0.000 -10.309 0.042) 10.309 8.078 ( 0.000 0.340 -0.592) 0.682 8.078 ( 0.000 0.340 0.592) 0.682 8.310 ( 0.000 -4.169 -0.414) 4.190 8.310 ( 0.000 -4.169 0.414) 4.190 8.455 ( 0.000 -0.003 -5.029) 5.029 8.455 ( 0.000 -0.003 5.029) 5.029 8.737 ( 0.000 2.427 -1.286) 2.747 8.737 ( 0.000 2.427 1.286) 2.747 9.594 ( 0.000 9.550 -1.498) 9.667 9.594 ( 0.000 9.550 1.498) 9.667 10.057 ( 0.000 -10.386 -2.772) 10.750 10.057 ( 0.000 -10.386 2.772) 10.750 10.900 ( 0.000 5.199 -1.077) 5.309 10.900 ( 0.000 5.199 1.077) 5.309 11.149 ( 0.000 -6.011 -0.921) 6.081 11.149 ( 0.000 -6.011 0.921) 6.081 11.699 ( 0.000 1.349 -3.241) 3.510 11.699 ( 0.000 1.349 3.241) 3.510 11.988 ( 0.000 1.526 -0.397) 1.577 11.988 ( 0.000 1.526 0.397) 1.577 12.492 ( 0.000 2.710 -1.961) 3.345 12.492 ( 0.000 2.710 1.961) 3.345 13.242 ( 0.000 2.011 -3.028) 3.635 13.242 ( 0.000 2.011 3.028) 3.635 14.629 ( 0.000 -0.575 -4.866) 4.900 14.629 ( 0.000 -0.575 4.866) 4.900 15.165 ( 0.000 -7.451 -2.581) 7.885 15.165 ( 0.000 -7.451 2.581) 7.885 19.183 ( 0.000 11.500 -0.909) 11.536 19.183 ( 0.000 11.500 0.909) 11.536 19.290 ( 0.000 9.267 -3.200) 9.804 19.290 ( 0.000 9.267 3.200) 9.804 20.282 ( 0.000 -4.049 -1.622) 4.362 20.282 ( 0.000 -4.049 1.622) 4.362 20.884 ( 0.000 -4.538 -1.011) 4.649 20.884 ( 0.000 -4.538 1.011) 4.649 22.082 ( 0.000 0.177 -0.639) 0.663 22.082 ( 0.000 0.177 0.639) 0.663 22.554 ( 0.000 -0.351 -0.635) 0.725 22.554 ( 0.000 -0.351 0.635) 0.725 23.715 ( 0.000 -0.947 -0.554) 1.097 23.715 ( 0.000 -0.947 0.554) 1.097 23.816 ( 0.000 -1.984 -4.155) 4.604 23.816 ( 0.000 -1.984 4.155) 4.604 ======================= Grid point 257 (86/90) ======================= q-point: ( 0.25 0.38 -0.50) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.413 ( -2.151 3.059 -3.994) 5.472 2.413 ( -2.151 3.059 3.994) 5.472 2.542 ( -6.451 -0.056 -2.226) 6.824 2.542 ( -6.451 -0.056 2.226) 6.824 2.734 ( -0.451 2.123 -3.753) 4.336 2.734 ( -0.451 2.123 3.753) 4.336 2.922 ( -6.189 -0.371 -1.609) 6.405 2.922 ( -6.189 -0.371 1.609) 6.405 3.384 ( 6.757 7.257 -3.206) 10.421 3.384 ( 6.757 7.257 3.206) 10.421 3.615 ( -0.945 9.625 -2.819) 10.074 3.615 ( -0.945 9.625 2.819) 10.074 3.712 ( 5.480 9.971 -3.074) 11.785 3.712 ( 5.480 9.971 3.074) 11.785 3.987 ( 6.530 -0.400 -2.934) 7.170 3.987 ( 6.530 -0.400 2.934) 7.170 4.242 ( -2.410 2.872 -8.485) 9.276 4.242 ( -2.410 2.872 8.485) 9.276 4.489 ( -1.828 -8.051 -1.127) 8.333 4.489 ( -1.828 -8.051 1.127) 8.333 4.866 ( 2.412 -1.243 -1.812) 3.263 4.866 ( 2.412 -1.243 1.812) 3.263 5.077 ( -2.818 3.887 -3.444) 5.909 5.077 ( -2.818 3.887 3.444) 5.909 5.141 ( 0.651 0.260 -3.828) 3.891 5.141 ( 0.651 0.260 3.828) 3.891 5.573 ( -3.170 -4.173 -3.451) 6.275 5.573 ( -3.170 -4.173 3.451) 6.275 5.994 ( 5.119 -1.138 -1.165) 5.372 5.994 ( 5.119 -1.138 1.165) 5.372 6.391 ( -4.045 -1.144 -1.333) 4.410 6.391 ( -4.045 -1.144 1.333) 4.410 6.607 ( 5.210 6.412 -2.998) 8.789 6.607 ( 5.210 6.412 2.998) 8.789 7.020 ( -2.208 1.351 -5.070) 5.693 7.020 ( -2.208 1.351 5.070) 5.693 7.147 ( 1.362 0.934 -2.781) 3.234 7.147 ( 1.362 0.934 2.781) 3.234 7.450 ( -3.442 -11.971 -0.208) 12.458 7.450 ( -3.442 -11.971 0.208) 12.458 8.086 ( 0.613 1.246 -1.240) 1.862 8.086 ( 0.613 1.246 1.240) 1.862 8.308 ( -0.272 -5.328 -0.813) 5.397 8.308 ( -0.272 -5.328 0.813) 5.397 8.496 ( 3.591 0.763 -4.176) 5.560 8.496 ( 3.591 0.763 4.176) 5.560 8.696 ( -3.466 2.058 -1.688) 4.370 8.696 ( -3.466 2.058 1.688) 4.370 9.595 ( 0.057 9.775 -1.106) 9.838 9.595 ( 0.057 9.775 1.106) 9.838 10.066 ( 0.669 -11.220 -1.995) 11.416 10.066 ( 0.669 -11.220 1.995) 11.416 10.892 ( -0.534 4.697 -0.745) 4.785 10.892 ( -0.534 4.697 0.745) 4.785 11.114 ( -2.465 -5.455 -0.641) 6.021 11.114 ( -2.465 -5.455 0.641) 6.021 11.726 ( 2.009 3.948 -2.057) 4.884 11.726 ( 2.009 3.948 2.057) 4.884 12.024 ( 2.193 -2.756 -0.706) 3.592 12.024 ( 2.193 -2.756 0.706) 3.592 12.536 ( 4.138 6.722 -2.613) 8.315 12.536 ( 4.138 6.722 2.613) 8.315 13.140 ( -7.932 -0.538 -2.648) 8.380 13.140 ( -7.932 -0.538 2.648) 8.380 14.697 ( 5.063 1.278 -3.948) 6.546 14.697 ( 5.063 1.278 3.948) 6.546 15.130 ( -2.853 -8.532 -2.394) 9.309 15.130 ( -2.853 -8.532 2.394) 9.309 19.179 ( -0.272 11.454 -0.621) 11.474 19.179 ( -0.272 11.454 0.621) 11.474 19.287 ( -0.247 9.082 -2.184) 9.344 19.287 ( -0.247 9.082 2.184) 9.344 20.362 ( 6.684 -3.364 -1.923) 7.726 20.362 ( 6.684 -3.364 1.923) 7.726 20.807 ( -6.487 -5.099 -1.866) 8.459 20.807 ( -6.487 -5.099 1.866) 8.459 22.126 ( 4.144 0.398 -0.708) 4.223 22.126 ( 4.144 0.398 0.708) 4.223 22.462 ( -7.398 -0.388 -0.588) 7.432 22.462 ( -7.398 -0.388 0.588) 7.432 23.733 ( 1.386 0.414 -0.357) 1.490 23.733 ( 1.386 0.414 0.357) 1.490 23.849 ( 2.138 -3.475 -2.589) 4.832 23.849 ( 2.138 -3.475 2.589) 4.832 ======================= Grid point 259 (87/90) ======================= q-point: (-0.50 0.38 -0.50) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.417 ( 0.000 1.198 -0.000) 1.198 2.417 ( 0.000 1.198 0.000) 1.198 2.426 ( -0.000 0.939 0.000) 0.939 2.426 ( 0.000 0.939 0.000) 0.939 2.717 ( -0.000 3.012 0.000) 3.012 2.717 ( 0.000 3.012 0.000) 3.012 2.853 ( -0.000 -2.364 0.000) 2.364 2.853 ( 0.000 -2.364 0.000) 2.364 3.500 ( -0.000 5.431 0.000) 5.431 3.500 ( 0.000 5.431 0.000) 5.431 3.577 ( -0.000 12.212 0.000) 12.212 3.577 ( 0.000 12.212 -0.000) 12.212 3.778 ( 0.000 10.436 0.000) 10.436 3.778 ( 0.000 10.436 0.000) 10.436 4.106 ( -0.000 6.003 0.000) 6.003 4.106 ( 0.000 6.003 0.000) 6.003 4.178 ( -0.000 -2.827 0.000) 2.827 4.178 ( 0.000 -2.827 0.000) 2.827 4.466 ( 0.000 -8.710 0.000) 8.710 4.466 ( 0.000 -8.710 0.000) 8.710 4.959 ( 0.000 0.875 -0.000) 0.875 4.959 ( -0.000 0.875 0.000) 0.875 4.962 ( -0.000 -2.621 -0.000) 2.621 4.962 ( 0.000 -2.621 0.000) 2.621 5.169 ( 0.000 7.406 0.000) 7.406 5.169 ( 0.000 7.406 0.000) 7.406 5.527 ( 0.000 -7.579 0.000) 7.579 5.527 ( 0.000 -7.579 0.000) 7.579 6.084 ( 0.000 2.566 0.000) 2.566 6.084 ( 0.000 2.566 0.000) 2.566 6.316 ( 0.000 -4.575 0.000) 4.575 6.316 ( 0.000 -4.575 0.000) 4.575 6.687 ( 0.000 9.225 0.000) 9.225 6.687 ( 0.000 9.225 0.000) 9.225 6.973 ( 0.000 0.898 0.000) 0.898 6.973 ( 0.000 0.898 0.000) 0.898 7.183 ( -0.000 2.360 0.000) 2.360 7.183 ( 0.000 2.360 0.000) 2.360 7.392 ( -0.000 -15.443 0.000) 15.443 7.392 ( 0.000 -15.443 0.000) 15.443 8.095 ( -0.000 2.274 0.000) 2.274 8.095 ( 0.000 2.274 0.000) 2.274 8.302 ( 0.000 -6.346 0.000) 6.346 8.302 ( 0.000 -6.346 0.000) 6.346 8.587 ( -0.000 1.578 0.000) 1.578 8.587 ( 0.000 1.578 0.000) 1.578 8.608 ( -0.000 1.347 -0.000) 1.347 8.608 ( 0.000 1.347 -0.000) 1.347 9.596 ( 0.000 9.990 0.000) 9.990 9.596 ( 0.000 9.990 0.000) 9.990 10.076 ( 0.000 -12.082 0.000) 12.082 10.076 ( 0.000 -12.082 0.000) 12.082 10.885 ( 0.000 4.253 0.000) 4.253 10.885 ( 0.000 4.253 0.000) 4.253 11.080 ( 0.000 -4.906 0.000) 4.906 11.080 ( 0.000 -4.906 0.000) 4.906 11.755 ( 0.000 6.653 0.000) 6.653 11.755 ( 0.000 6.653 0.000) 6.653 12.049 ( -0.000 -7.313 0.000) 7.313 12.049 ( 0.000 -7.313 0.000) 7.313 12.617 ( -0.000 13.868 0.000) 13.868 12.617 ( 0.000 13.868 0.000) 13.868 13.011 ( 0.000 -5.963 0.000) 5.963 13.011 ( 0.000 -5.963 0.000) 5.963 14.774 ( 0.000 4.301 0.000) 4.301 14.774 ( 0.000 4.301 0.000) 4.301 15.082 ( -0.000 -10.891 0.000) 10.891 15.082 ( 0.000 -10.891 0.000) 10.891 19.175 ( 0.000 11.403 0.000) 11.403 19.175 ( 0.000 11.403 0.000) 11.403 19.283 ( -0.000 8.921 0.000) 8.921 19.283 ( 0.000 8.921 0.000) 8.921 20.493 ( 0.000 -0.910 0.000) 0.910 20.493 ( 0.000 -0.910 0.000) 0.910 20.678 ( -0.000 -7.444 0.000) 7.444 20.678 ( 0.000 -7.444 0.000) 7.444 22.234 ( -0.000 1.923 0.000) 1.923 22.234 ( 0.000 1.923 0.000) 1.923 22.310 ( -0.000 -1.728 0.000) 1.728 22.310 ( 0.000 -1.728 0.000) 1.728 23.753 ( -0.000 1.469 0.000) 1.469 23.753 ( 0.000 1.469 0.000) 1.469 23.877 ( 0.000 -4.665 0.000) 4.665 23.877 ( 0.000 -4.665 0.000) 4.665 ======================= Grid point 265 (88/90) ======================= q-point: ( 0.00 -0.50 -0.50) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.546 ( 0.000 0.000 -0.000) 0.000 2.546 ( 0.000 0.000 0.000) 0.000 2.569 ( 0.000 -0.000 -0.000) 0.000 2.569 ( 0.000 -0.000 0.000) 0.000 2.742 ( 0.000 -0.000 0.000) 0.000 2.742 ( 0.000 0.000 0.000) 0.000 3.060 ( 0.000 -0.000 0.000) 0.000 3.060 ( 0.000 0.000 0.000) 0.000 3.357 ( 0.000 0.000 0.000) 0.000 3.357 ( 0.000 0.000 0.000) 0.000 3.633 ( 0.000 -0.000 0.000) 0.000 3.633 ( 0.000 0.000 0.000) 0.000 3.802 ( 0.000 0.000 0.000) 0.000 3.802 ( 0.000 0.000 0.000) 0.000 3.889 ( 0.000 -0.000 0.000) 0.000 3.889 ( 0.000 0.000 0.000) 0.000 4.345 ( 0.000 0.000 0.000) 0.000 4.345 ( 0.000 0.000 0.000) 0.000 4.396 ( 0.000 -0.000 0.000) 0.000 4.396 ( 0.000 0.000 0.000) 0.000 4.818 ( 0.000 0.000 0.000) 0.000 4.818 ( 0.000 0.000 0.000) 0.000 5.085 ( 0.000 0.000 0.000) 0.000 5.085 ( 0.000 0.000 0.000) 0.000 5.185 ( 0.000 0.000 0.000) 0.000 5.185 ( 0.000 0.000 0.000) 0.000 5.609 ( 0.000 0.000 0.000) 0.000 5.609 ( 0.000 0.000 0.000) 0.000 5.906 ( 0.000 -0.000 0.000) 0.000 5.906 ( 0.000 0.000 0.000) 0.000 6.438 ( 0.000 0.000 0.000) 0.000 6.438 ( 0.000 0.000 0.000) 0.000 6.599 ( 0.000 0.000 0.000) 0.000 6.599 ( 0.000 0.000 0.000) 0.000 6.971 ( 0.000 -0.000 0.000) 0.000 6.971 ( 0.000 0.000 0.000) 0.000 7.191 ( 0.000 0.000 0.000) 0.000 7.191 ( 0.000 0.000 0.000) 0.000 7.400 ( 0.000 -0.000 0.000) 0.000 7.400 ( 0.000 0.000 0.000) 0.000 8.096 ( 0.000 -0.000 0.000) 0.000 8.096 ( 0.000 0.000 0.000) 0.000 8.250 ( 0.000 -0.000 0.000) 0.000 8.250 ( 0.000 0.000 0.000) 0.000 8.461 ( 0.000 0.000 0.000) 0.000 8.461 ( 0.000 0.000 0.000) 0.000 8.762 ( 0.000 0.000 0.000) 0.000 8.762 ( 0.000 0.000 0.000) 0.000 9.760 ( 0.000 -0.000 0.000) 0.000 9.760 ( 0.000 -0.000 0.000) 0.000 9.881 ( 0.000 0.000 0.000) 0.000 9.881 ( 0.000 0.000 0.000) 0.000 10.989 ( 0.000 -0.000 0.000) 0.000 10.989 ( 0.000 0.000 0.000) 0.000 11.053 ( 0.000 -0.000 0.000) 0.000 11.053 ( 0.000 0.000 0.000) 0.000 11.713 ( 0.000 0.000 0.000) 0.000 11.713 ( 0.000 0.000 0.000) 0.000 12.003 ( 0.000 -0.000 0.000) 0.000 12.003 ( 0.000 0.000 0.000) 0.000 12.519 ( 0.000 0.000 0.000) 0.000 12.519 ( 0.000 0.000 0.000) 0.000 13.265 ( 0.000 -0.000 0.000) 0.000 13.265 ( 0.000 0.000 0.000) 0.000 14.624 ( 0.000 0.000 0.000) 0.000 14.624 ( 0.000 0.000 0.000) 0.000 15.088 ( 0.000 0.000 0.000) 0.000 15.088 ( 0.000 0.000 0.000) 0.000 19.327 ( 0.000 0.000 0.000) 0.000 19.327 ( 0.000 0.000 0.000) 0.000 19.362 ( 0.000 0.000 0.000) 0.000 19.362 ( 0.000 0.000 0.000) 0.000 20.241 ( 0.000 0.000 0.000) 0.000 20.241 ( 0.000 0.000 0.000) 0.000 20.833 ( 0.000 0.000 0.000) 0.000 20.833 ( 0.000 0.000 0.000) 0.000 22.083 ( 0.000 0.000 0.000) 0.000 22.083 ( 0.000 0.000 0.000) 0.000 22.550 ( 0.000 0.000 0.000) 0.000 22.550 ( 0.000 0.000 0.000) 0.000 23.706 ( 0.000 0.000 0.000) 0.000 23.706 ( 0.000 0.000 0.000) 0.000 23.796 ( 0.000 0.000 0.000) 0.000 23.796 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 269 (89/90) ======================= q-point: ( 0.25 -0.50 -0.50) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.454 ( -4.784 0.000 0.000) 4.784 2.454 ( -4.784 0.000 0.000) 4.784 2.534 ( -3.605 -0.000 0.000) 3.605 2.534 ( -3.605 0.000 0.000) 3.605 2.757 ( 0.590 -0.000 0.000) 0.590 2.757 ( 0.590 0.000 0.000) 0.590 2.898 ( -9.296 0.000 0.000) 9.296 2.898 ( -9.296 -0.000 0.000) 9.296 3.469 ( 7.657 0.000 0.000) 7.657 3.469 ( 7.657 0.000 0.000) 7.657 3.669 ( -0.252 -0.000 0.000) 0.252 3.669 ( -0.252 0.000 0.000) 0.252 3.916 ( 8.854 0.000 0.000) 8.854 3.916 ( 8.854 0.000 0.000) 8.854 3.948 ( 4.787 -0.000 0.000) 4.787 3.948 ( 4.787 -0.000 0.000) 4.787 4.326 ( -1.854 -0.000 0.000) 1.854 4.326 ( -1.854 0.000 0.000) 1.854 4.343 ( -4.109 -0.000 0.000) 4.109 4.343 ( -4.109 0.000 0.000) 4.109 4.843 ( 2.511 0.000 0.000) 2.511 4.843 ( 2.511 0.000 0.000) 2.511 5.040 ( -3.876 0.000 0.000) 3.876 5.040 ( -3.876 0.000 0.000) 3.876 5.235 ( 4.321 0.000 0.000) 4.321 5.235 ( 4.321 0.000 0.000) 4.321 5.521 ( -6.704 -0.000 0.000) 6.704 5.521 ( -6.704 0.000 0.000) 6.704 5.995 ( 7.307 0.000 0.000) 7.307 5.995 ( 7.307 0.000 0.000) 7.307 6.367 ( -6.159 0.000 0.000) 6.159 6.367 ( -6.159 0.000 0.000) 6.159 6.697 ( 7.836 -0.000 0.000) 7.836 6.697 ( 7.836 0.000 0.000) 7.836 6.985 ( -0.295 -0.000 0.000) 0.295 6.985 ( -0.295 0.000 0.000) 0.295 7.161 ( -1.137 0.000 0.000) 1.137 7.161 ( -1.137 0.000 0.000) 1.137 7.339 ( -4.986 -0.000 0.000) 4.986 7.339 ( -4.986 0.000 0.000) 4.986 8.122 ( 2.151 -0.000 0.000) 2.151 8.122 ( 2.151 0.000 0.000) 2.151 8.231 ( -1.708 -0.000 0.000) 1.708 8.231 ( -1.708 0.000 0.000) 1.708 8.508 ( 3.934 0.000 0.000) 3.934 8.508 ( 3.934 0.000 0.000) 3.934 8.718 ( -3.744 0.000 0.000) 3.744 8.718 ( -3.744 0.000 0.000) 3.744 9.780 ( 1.630 -0.000 0.000) 1.630 9.780 ( 1.630 0.000 0.000) 1.630 9.865 ( -1.421 0.000 0.000) 1.421 9.865 ( -1.421 0.000 0.000) 1.421 10.977 ( -0.648 -0.000 0.000) 0.648 10.977 ( -0.648 0.000 0.000) 0.648 11.022 ( -2.257 0.000 0.000) 2.257 11.022 ( -2.257 0.000 0.000) 2.257 11.775 ( 5.051 -0.000 0.000) 5.051 11.775 ( 5.051 0.000 0.000) 5.051 11.986 ( -2.120 0.000 0.000) 2.120 11.986 ( -2.120 0.000 0.000) 2.120 12.608 ( 8.134 0.000 0.000) 8.134 12.608 ( 8.134 0.000 0.000) 8.134 13.133 ( -10.824 -0.000 0.000) 10.824 13.133 ( -10.824 0.000 0.000) 10.824 14.716 ( 7.377 0.000 0.000) 7.377 14.716 ( 7.377 0.000 0.000) 7.377 15.037 ( -4.613 0.000 0.000) 4.613 15.037 ( -4.613 0.000 0.000) 4.613 19.328 ( 0.102 0.000 0.000) 0.102 19.328 ( 0.102 0.000 0.000) 0.102 19.351 ( -0.834 0.000 0.000) 0.834 19.351 ( -0.834 0.000 0.000) 0.834 20.331 ( 7.659 0.000 0.000) 7.659 20.331 ( 7.659 0.000 0.000) 7.659 20.748 ( -7.321 0.000 0.000) 7.321 20.748 ( -7.321 0.000 0.000) 7.321 22.131 ( 4.375 0.000 0.000) 4.375 22.131 ( 4.375 0.000 0.000) 4.375 22.458 ( -7.489 0.000 0.000) 7.489 22.458 ( -7.489 0.000 0.000) 7.489 23.742 ( 2.802 -0.000 0.000) 2.802 23.742 ( 2.802 0.000 0.000) 2.802 23.809 ( 0.620 0.000 0.000) 0.620 23.809 ( 0.620 0.000 0.000) 0.620 ======================= Grid point 273 (90/90) ======================= q-point: (-0.50 -0.50 -0.50) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.434 ( -3.258 -0.057 0.000) 3.258 2.434 ( -3.258 -0.057 0.000) 3.258 2.434 ( 3.258 0.057 0.000) 3.258 2.434 ( 3.258 0.057 0.000) 3.258 2.778 ( -0.547 -3.690 0.000) 3.730 2.778 ( -0.547 -3.690 0.000) 3.730 2.778 ( 0.547 3.690 0.000) 3.730 2.778 ( 0.547 3.690 0.000) 3.730 3.612 ( -2.119 -4.209 0.000) 4.712 3.612 ( -2.119 -4.209 0.000) 4.712 3.612 ( 2.119 4.209 0.000) 4.712 3.612 ( 2.119 4.209 0.000) 4.712 4.036 ( -0.010 -12.352 0.000) 12.352 4.036 ( -0.010 -12.352 0.000) 12.352 4.036 ( 0.010 12.352 0.000) 12.352 4.036 ( 0.010 12.352 0.000) 12.352 4.282 ( -0.010 -9.691 0.000) 9.691 4.282 ( -0.010 -9.691 0.000) 9.691 4.282 ( 0.010 9.691 0.000) 9.691 4.282 ( 0.010 9.691 0.000) 9.691 4.932 ( -5.165 -0.070 0.000) 5.165 4.932 ( -5.165 -0.070 0.000) 5.165 4.932 ( 5.165 0.070 0.000) 5.165 4.932 ( 5.165 0.070 0.000) 5.165 5.363 ( -2.378 -8.977 0.000) 9.287 5.363 ( -2.378 -8.977 0.000) 9.287 5.363 ( 2.378 8.977 0.000) 9.287 5.363 ( 2.378 8.977 0.000) 9.287 6.189 ( -5.059 -6.094 0.000) 7.920 6.189 ( -5.059 -6.094 0.000) 7.920 6.189 ( 5.059 6.094 0.000) 7.920 6.189 ( 5.059 6.094 0.000) 7.920 6.885 ( -3.017 -8.996 0.000) 9.488 6.885 ( -3.017 -8.996 0.000) 9.488 6.885 ( 3.017 8.996 0.000) 9.488 6.885 ( 3.017 8.996 0.000) 9.488 7.215 ( -3.723 -1.919 0.000) 4.188 7.215 ( -3.723 -1.919 0.000) 4.188 7.215 ( 3.723 1.919 0.000) 4.188 7.215 ( 3.723 1.919 0.000) 4.188 8.179 ( -0.641 -5.635 0.000) 5.672 8.179 ( -0.641 -5.635 0.000) 5.672 8.179 ( 0.641 5.635 0.000) 5.672 8.179 ( 0.641 5.635 0.000) 5.672 8.614 ( -5.051 -0.209 0.000) 5.056 8.614 ( -5.051 -0.209 0.000) 5.056 8.614 ( 5.051 0.209 0.000) 5.056 8.614 ( 5.051 0.209 0.000) 5.056 9.824 ( -0.178 -12.864 0.000) 12.865 9.824 ( -0.178 -12.864 0.000) 12.865 9.824 ( 0.178 12.864 0.000) 12.865 9.824 ( 0.178 12.864 0.000) 12.865 10.980 ( -0.127 -5.137 0.000) 5.139 10.980 ( -0.127 -5.137 0.000) 5.139 10.980 ( 0.127 5.137 0.000) 5.139 10.980 ( 0.127 5.137 0.000) 5.139 11.899 ( -1.789 -7.344 0.000) 7.559 11.899 ( -1.789 -7.344 0.000) 7.559 11.899 ( 1.789 7.344 0.000) 7.559 11.899 ( 1.789 7.344 0.000) 7.559 12.854 ( -7.206 -8.489 0.000) 11.136 12.854 ( -7.206 -8.489 0.000) 11.136 12.854 ( 7.206 8.489 0.000) 11.136 12.854 ( 7.206 8.489 0.000) 11.136 14.895 ( -3.505 -7.187 0.000) 7.996 14.895 ( -3.505 -7.187 0.000) 7.996 14.895 ( 3.505 7.187 0.000) 7.996 14.895 ( 3.505 7.187 0.000) 7.996 19.334 ( -0.041 -3.658 0.000) 3.659 19.334 ( -0.041 -3.658 0.000) 3.659 19.334 ( 0.041 3.659 0.000) 3.659 19.334 ( 0.041 3.659 0.000) 3.659 20.541 ( -7.206 -4.076 0.000) 8.279 20.541 ( -7.206 -4.076 0.000) 8.279 20.541 ( 7.206 4.076 0.000) 8.279 20.541 ( 7.206 4.076 0.000) 8.279 22.273 ( -7.400 -0.861 0.000) 7.449 22.273 ( -7.400 -0.861 0.000) 7.449 22.273 ( 7.400 0.861 0.000) 7.449 22.273 ( 7.400 0.861 0.000) 7.449 23.799 ( -0.468 -3.070 0.000) 3.106 23.799 ( -0.468 -3.070 0.000) 3.106 23.799 ( 0.468 3.070 0.000) 3.106 23.799 ( 0.468 3.070 0.000) 3.106 =================== 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 3/26880 10.0 1158.071 2615.268 2213.442 0.000 0.000 0.000 3/26880 20.0 445.679 482.359 492.613 0.000 0.000 0.000 3/26880 30.0 164.080 187.052 173.324 0.000 0.000 0.000 3/26880 40.0 81.767 97.761 84.427 0.000 0.000 0.000 3/26880 50.0 49.012 60.252 49.822 0.000 0.000 0.000 3/26880 60.0 33.012 41.337 33.276 0.000 0.000 0.000 3/26880 70.0 24.098 30.585 24.201 0.000 0.000 0.000 3/26880 80.0 18.643 23.911 18.703 0.000 0.000 0.000 3/26880 90.0 15.056 19.477 15.109 0.000 0.000 0.000 3/26880 100.0 12.562 16.369 12.620 0.000 0.000 0.000 3/26880 110.0 10.750 14.095 10.813 0.000 0.000 0.000 3/26880 120.0 9.384 12.373 9.452 0.000 0.000 0.000 3/26880 130.0 8.324 11.029 8.395 0.000 0.000 0.000 3/26880 140.0 7.480 9.956 7.553 0.000 0.000 0.000 3/26880 150.0 6.794 9.081 6.868 0.000 0.000 0.000 3/26880 160.0 6.227 8.356 6.300 0.000 0.000 0.000 3/26880 170.0 5.751 7.744 5.823 0.000 0.000 0.000 3/26880 180.0 5.345 7.223 5.416 0.000 0.000 0.000 3/26880 190.0 4.996 6.772 5.064 0.000 0.000 0.000 3/26880 200.0 4.692 6.380 4.758 0.000 0.000 0.000 3/26880 210.0 4.425 6.034 4.489 0.000 0.000 0.000 3/26880 220.0 4.189 5.727 4.250 0.000 0.000 0.000 3/26880 230.0 3.978 5.453 4.037 0.000 0.000 0.000 3/26880 240.0 3.789 5.206 3.845 0.000 0.000 0.000 3/26880 250.0 3.618 4.982 3.672 0.000 0.000 0.000 3/26880 260.0 3.463 4.779 3.515 0.000 0.000 0.000 3/26880 270.0 3.322 4.593 3.371 0.000 0.000 0.000 3/26880 280.0 3.192 4.422 3.240 0.000 0.000 0.000 3/26880 290.0 3.073 4.264 3.118 0.000 0.000 0.000 3/26880 300.0 2.963 4.118 3.006 0.000 0.000 0.000 3/26880 310.0 2.861 3.982 2.903 0.000 0.000 0.000 3/26880 320.0 2.766 3.855 2.806 0.000 0.000 0.000 3/26880 330.0 2.678 3.737 2.716 0.000 0.000 0.000 3/26880 340.0 2.595 3.626 2.632 0.000 0.000 0.000 3/26880 350.0 2.518 3.522 2.553 0.000 0.000 0.000 3/26880 360.0 2.445 3.424 2.479 0.000 0.000 0.000 3/26880 370.0 2.377 3.332 2.409 0.000 0.000 0.000 3/26880 380.0 2.312 3.245 2.343 0.000 0.000 0.000 3/26880 390.0 2.251 3.162 2.281 0.000 0.000 0.000 3/26880 400.0 2.194 3.083 2.222 0.000 0.000 0.000 3/26880 410.0 2.139 3.009 2.166 0.000 0.000 0.000 3/26880 420.0 2.087 2.938 2.113 0.000 0.000 0.000 3/26880 430.0 2.037 2.870 2.063 0.000 0.000 0.000 3/26880 440.0 1.990 2.806 2.015 0.000 0.000 0.000 3/26880 450.0 1.946 2.745 1.969 0.000 0.000 0.000 3/26880 460.0 1.903 2.686 1.925 0.000 0.000 0.000 3/26880 470.0 1.862 2.629 1.884 0.000 0.000 0.000 3/26880 480.0 1.823 2.575 1.844 0.000 0.000 0.000 3/26880 490.0 1.785 2.524 1.805 0.000 0.000 0.000 3/26880 500.0 1.749 2.474 1.769 0.000 0.000 0.000 3/26880 510.0 1.714 2.426 1.734 0.000 0.000 0.000 3/26880 520.0 1.681 2.380 1.700 0.000 0.000 0.000 3/26880 530.0 1.649 2.336 1.667 0.000 0.000 0.000 3/26880 540.0 1.619 2.294 1.636 0.000 0.000 0.000 3/26880 550.0 1.589 2.253 1.606 0.000 0.000 0.000 3/26880 560.0 1.561 2.213 1.577 0.000 0.000 0.000 3/26880 570.0 1.533 2.175 1.549 0.000 0.000 0.000 3/26880 580.0 1.507 2.138 1.522 0.000 0.000 0.000 3/26880 590.0 1.481 2.102 1.496 0.000 0.000 0.000 3/26880 600.0 1.456 2.068 1.471 0.000 0.000 0.000 3/26880 610.0 1.433 2.034 1.447 0.000 0.000 0.000 3/26880 620.0 1.409 2.002 1.423 0.000 0.000 0.000 3/26880 630.0 1.387 1.971 1.401 0.000 0.000 0.000 3/26880 640.0 1.365 1.941 1.379 0.000 0.000 0.000 3/26880 650.0 1.344 1.911 1.357 0.000 0.000 0.000 3/26880 660.0 1.324 1.883 1.337 0.000 0.000 0.000 3/26880 670.0 1.304 1.855 1.317 0.000 0.000 0.000 3/26880 680.0 1.285 1.828 1.297 0.000 0.000 0.000 3/26880 690.0 1.267 1.802 1.278 0.000 0.000 0.000 3/26880 700.0 1.248 1.777 1.260 0.000 0.000 0.000 3/26880 710.0 1.231 1.752 1.242 0.000 0.000 0.000 3/26880 720.0 1.214 1.728 1.225 0.000 0.000 0.000 3/26880 730.0 1.197 1.705 1.208 0.000 0.000 0.000 3/26880 740.0 1.181 1.682 1.192 0.000 0.000 0.000 3/26880 750.0 1.165 1.660 1.176 0.000 0.000 0.000 3/26880 760.0 1.150 1.638 1.160 0.000 0.000 0.000 3/26880 770.0 1.135 1.617 1.145 0.000 0.000 0.000 3/26880 780.0 1.121 1.597 1.130 0.000 0.000 0.000 3/26880 790.0 1.106 1.577 1.116 0.000 0.000 0.000 3/26880 800.0 1.093 1.557 1.102 0.000 0.000 0.000 3/26880 810.0 1.079 1.538 1.088 0.000 0.000 0.000 3/26880 820.0 1.066 1.520 1.075 0.000 0.000 0.000 3/26880 830.0 1.053 1.502 1.062 0.000 0.000 0.000 3/26880 840.0 1.041 1.484 1.049 0.000 0.000 0.000 3/26880 850.0 1.029 1.467 1.037 0.000 0.000 0.000 3/26880 860.0 1.017 1.450 1.025 0.000 0.000 0.000 3/26880 870.0 1.005 1.434 1.013 0.000 0.000 0.000 3/26880 880.0 0.994 1.418 1.002 0.000 0.000 0.000 3/26880 890.0 0.982 1.402 0.990 0.000 0.000 0.000 3/26880 900.0 0.972 1.386 0.979 0.000 0.000 0.000 3/26880 910.0 0.961 1.371 0.969 0.000 0.000 0.000 3/26880 920.0 0.951 1.357 0.958 0.000 0.000 0.000 3/26880 930.0 0.940 1.342 0.948 0.000 0.000 0.000 3/26880 940.0 0.930 1.328 0.938 0.000 0.000 0.000 3/26880 950.0 0.921 1.314 0.928 0.000 0.000 0.000 3/26880 960.0 0.911 1.301 0.918 0.000 0.000 0.000 3/26880 970.0 0.902 1.287 0.909 0.000 0.000 0.000 3/26880 980.0 0.893 1.274 0.899 0.000 0.000 0.000 3/26880 990.0 0.884 1.262 0.890 0.000 0.000 0.000 3/26880 1000.0 0.875 1.249 0.881 0.000 0.000 0.000 3/26880 Thermal conductivity related properties were written into "kappa-m4810.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:31:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|