----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 00:51:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_12_12_1 (19) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.251945809999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.034488129999998 0.000000000000000 c 0.000000000000000 0.000000000000000 9.892765739999998 Atomic positions (fractional): *1 Dy 0.02150693746495 0.39671567890493 0.03658235630219 162.500 *2 Dy 0.03960762755119 0.28247761055725 0.63334594145794 162.500 3 Dy 0.46039237244881 0.71752238944275 0.13334594145794 162.500 4 Dy 0.47849306253505 0.60328432109507 0.53658235630219 162.500 5 Dy 0.52150693746495 0.10328432109507 0.96341764369781 162.500 6 Dy 0.53960762755119 0.21752238944275 0.36665405854206 162.500 7 Dy 0.96039237244881 0.78247761055725 0.86665405854206 162.500 8 Dy 0.97849306253505 0.89671567890493 0.46341764369781 162.500 *9 Te 0.04013663067002 0.00524636127059 0.14877534609398 127.600 10 Te 0.45986336932998 0.99475363872941 0.64877534609398 127.600 11 Te 0.54013663067002 0.49475363872941 0.85122465390602 127.600 12 Te 0.95986336932998 0.50524636127059 0.35122465390602 127.600 *13 O 0.08262145967301 0.65542767008087 0.47333461173003 15.999 *14 O 0.16916421910400 0.55187788507499 0.19972297206129 15.999 *15 O 0.18742864184579 0.85786619746083 0.26377878879251 15.999 *16 O 0.17790009101198 0.85880780646394 0.67910087674105 15.999 *17 O 0.23302594117711 0.38622029640460 0.43192867581724 15.999 *18 O 0.25326161927459 0.08771374534736 0.50589144521437 15.999 19 O 0.24673838072541 0.91228625465264 0.00589144521437 15.999 20 O 0.26697405882289 0.61377970359540 0.93192867581724 15.999 21 O 0.32209990898802 0.14119219353606 0.17910087674105 15.999 22 O 0.31257135815421 0.14213380253917 0.76377878879251 15.999 23 O 0.33083578089600 0.44812211492501 0.69972297206129 15.999 24 O 0.41737854032699 0.34457232991913 0.97333461173003 15.999 25 O 0.58262145967301 0.84457232991913 0.52666538826997 15.999 26 O 0.66916421910400 0.94812211492501 0.80027702793871 15.999 27 O 0.68742864184579 0.64213380253917 0.73622121120749 15.999 28 O 0.67790009101198 0.64119219353606 0.32089912325895 15.999 29 O 0.73302594117711 0.11377970359540 0.56807132418276 15.999 30 O 0.75326161927459 0.41228625465264 0.49410855478563 15.999 31 O 0.74673838072541 0.58771374534736 0.99410855478563 15.999 32 O 0.76697405882289 0.88622029640460 0.06807132418276 15.999 33 O 0.82209990898802 0.35880780646394 0.82089912325895 15.999 34 O 0.81257135815421 0.35786619746083 0.23622121120749 15.999 35 O 0.83083578089600 0.05187788507499 0.30027702793871 15.999 36 O 0.91737854032699 0.15542767008087 0.02666538826997 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.251945809999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.034488129999998 0.000000000000000 c 0.000000000000000 0.000000000000000 9.892765739999998 Atomic positions (fractional): *1 Dy 0.02150693746495 0.39671567890493 0.03658235630219 162.500 > 1 *2 Dy 0.03960762755119 0.28247761055725 0.63334594145794 162.500 > 2 3 Dy 0.46039237244881 0.71752238944275 0.13334594145794 162.500 > 3 4 Dy 0.47849306253505 0.60328432109507 0.53658235630219 162.500 > 4 5 Dy 0.52150693746495 0.10328432109507 0.96341764369781 162.500 > 5 6 Dy 0.53960762755119 0.21752238944275 0.36665405854206 162.500 > 6 7 Dy 0.96039237244881 0.78247761055725 0.86665405854206 162.500 > 7 8 Dy 0.97849306253505 0.89671567890493 0.46341764369781 162.500 > 8 *9 Te 0.04013663067002 0.00524636127059 0.14877534609398 127.600 > 9 10 Te 0.45986336932998 0.99475363872941 0.64877534609398 127.600 > 10 11 Te 0.54013663067002 0.49475363872941 0.85122465390602 127.600 > 11 12 Te 0.95986336932998 0.50524636127059 0.35122465390602 127.600 > 12 *13 O 0.08262145967301 0.65542767008087 0.47333461173003 15.999 > 13 *14 O 0.16916421910400 0.55187788507499 0.19972297206129 15.999 > 14 *15 O 0.18742864184579 0.85786619746083 0.26377878879251 15.999 > 15 *16 O 0.17790009101198 0.85880780646394 0.67910087674105 15.999 > 16 *17 O 0.23302594117711 0.38622029640460 0.43192867581724 15.999 > 17 *18 O 0.25326161927459 0.08771374534736 0.50589144521437 15.999 > 18 19 O 0.24673838072541 0.91228625465264 0.00589144521437 15.999 > 19 20 O 0.26697405882289 0.61377970359540 0.93192867581724 15.999 > 20 21 O 0.32209990898802 0.14119219353606 0.17910087674105 15.999 > 21 22 O 0.31257135815421 0.14213380253917 0.76377878879251 15.999 > 22 23 O 0.33083578089600 0.44812211492501 0.69972297206129 15.999 > 23 24 O 0.41737854032699 0.34457232991913 0.97333461173003 15.999 > 24 25 O 0.58262145967301 0.84457232991913 0.52666538826997 15.999 > 25 26 O 0.66916421910400 0.94812211492501 0.80027702793871 15.999 > 26 27 O 0.68742864184579 0.64213380253917 0.73622121120749 15.999 > 27 28 O 0.67790009101198 0.64119219353606 0.32089912325895 15.999 > 28 29 O 0.73302594117711 0.11377970359540 0.56807132418276 15.999 > 29 30 O 0.75326161927459 0.41228625465264 0.49410855478563 15.999 > 30 31 O 0.74673838072541 0.58771374534736 0.99410855478563 15.999 > 31 32 O 0.76697405882289 0.88622029640460 0.06807132418276 15.999 > 32 33 O 0.82209990898802 0.35880780646394 0.82089912325895 15.999 > 33 34 O 0.81257135815421 0.35786619746083 0.23622121120749 15.999 > 34 35 O 0.83083578089600 0.05187788507499 0.30027702793871 15.999 > 35 36 O 0.91737854032699 0.15542767008087 0.02666538826997 15.999 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.503891619999997 0.000000000000000 0.000000000000000 b 0.000000000000000 18.068976259999996 0.000000000000000 c 0.000000000000000 0.000000000000000 9.892765739999998 Atomic positions (fractional): *1 Dy 0.01075346873248 0.19835783945246 0.03658235630219 162.500 > 1 2 Dy 0.51075346873248 0.19835783945246 0.03658235630219 162.500 > 1 3 Dy 0.01075346873248 0.69835783945246 0.03658235630219 162.500 > 1 4 Dy 0.51075346873248 0.69835783945246 0.03658235630219 162.500 > 1 *5 Dy 0.01980381377559 0.14123880527862 0.63334594145794 162.500 > 2 6 Dy 0.51980381377559 0.14123880527862 0.63334594145794 162.500 > 2 7 Dy 0.01980381377559 0.64123880527862 0.63334594145794 162.500 > 2 8 Dy 0.51980381377559 0.64123880527862 0.63334594145794 162.500 > 2 9 Dy 0.23019618622441 0.35876119472138 0.13334594145794 162.500 > 3 10 Dy 0.73019618622441 0.35876119472138 0.13334594145794 162.500 > 3 11 Dy 0.23019618622441 0.85876119472138 0.13334594145794 162.500 > 3 12 Dy 0.73019618622441 0.85876119472138 0.13334594145794 162.500 > 3 13 Dy 0.23924653126752 0.30164216054754 0.53658235630219 162.500 > 4 14 Dy 0.73924653126752 0.30164216054754 0.53658235630219 162.500 > 4 15 Dy 0.23924653126752 0.80164216054754 0.53658235630219 162.500 > 4 16 Dy 0.73924653126752 0.80164216054754 0.53658235630219 162.500 > 4 17 Dy 0.26075346873248 0.05164216054754 0.96341764369781 162.500 > 5 18 Dy 0.76075346873248 0.05164216054754 0.96341764369781 162.500 > 5 19 Dy 0.26075346873248 0.55164216054754 0.96341764369781 162.500 > 5 20 Dy 0.76075346873248 0.55164216054754 0.96341764369781 162.500 > 5 21 Dy 0.26980381377559 0.10876119472138 0.36665405854206 162.500 > 6 22 Dy 0.76980381377559 0.10876119472138 0.36665405854206 162.500 > 6 23 Dy 0.26980381377559 0.60876119472138 0.36665405854206 162.500 > 6 24 Dy 0.76980381377559 0.60876119472138 0.36665405854206 162.500 > 6 25 Dy 0.48019618622441 0.39123880527862 0.86665405854206 162.500 > 7 26 Dy 0.98019618622441 0.39123880527862 0.86665405854206 162.500 > 7 27 Dy 0.48019618622441 0.89123880527862 0.86665405854206 162.500 > 7 28 Dy 0.98019618622441 0.89123880527862 0.86665405854206 162.500 > 7 29 Dy 0.48924653126752 0.44835783945246 0.46341764369781 162.500 > 8 30 Dy 0.98924653126752 0.44835783945246 0.46341764369781 162.500 > 8 31 Dy 0.48924653126752 0.94835783945246 0.46341764369781 162.500 > 8 32 Dy 0.98924653126752 0.94835783945246 0.46341764369781 162.500 > 8 *33 Te 0.02006831533501 0.00262318063530 0.14877534609398 127.600 > 9 34 Te 0.52006831533501 0.00262318063530 0.14877534609398 127.600 > 9 35 Te 0.02006831533501 0.50262318063530 0.14877534609398 127.600 > 9 36 Te 0.52006831533501 0.50262318063530 0.14877534609398 127.600 > 9 37 Te 0.22993168466499 0.49737681936470 0.64877534609398 127.600 > 10 38 Te 0.72993168466499 0.49737681936470 0.64877534609398 127.600 > 10 39 Te 0.22993168466499 0.99737681936470 0.64877534609398 127.600 > 10 40 Te 0.72993168466499 0.99737681936470 0.64877534609398 127.600 > 10 41 Te 0.27006831533501 0.24737681936470 0.85122465390602 127.600 > 11 42 Te 0.77006831533501 0.24737681936470 0.85122465390602 127.600 > 11 43 Te 0.27006831533501 0.74737681936470 0.85122465390602 127.600 > 11 44 Te 0.77006831533501 0.74737681936470 0.85122465390602 127.600 > 11 45 Te 0.47993168466499 0.25262318063530 0.35122465390602 127.600 > 12 46 Te 0.97993168466499 0.25262318063530 0.35122465390602 127.600 > 12 47 Te 0.47993168466499 0.75262318063530 0.35122465390602 127.600 > 12 48 Te 0.97993168466499 0.75262318063530 0.35122465390602 127.600 > 12 *49 O 0.04131072983650 0.32771383504044 0.47333461173003 15.999 > 13 50 O 0.54131072983650 0.32771383504044 0.47333461173003 15.999 > 13 51 O 0.04131072983650 0.82771383504044 0.47333461173003 15.999 > 13 52 O 0.54131072983650 0.82771383504044 0.47333461173003 15.999 > 13 *53 O 0.08458210955200 0.27593894253750 0.19972297206129 15.999 > 14 54 O 0.58458210955200 0.27593894253750 0.19972297206129 15.999 > 14 55 O 0.08458210955200 0.77593894253750 0.19972297206129 15.999 > 14 56 O 0.58458210955200 0.77593894253750 0.19972297206129 15.999 > 14 *57 O 0.09371432092290 0.42893309873042 0.26377878879251 15.999 > 15 58 O 0.59371432092290 0.42893309873042 0.26377878879251 15.999 > 15 59 O 0.09371432092290 0.92893309873041 0.26377878879251 15.999 > 15 60 O 0.59371432092290 0.92893309873041 0.26377878879251 15.999 > 15 *61 O 0.08895004550599 0.42940390323197 0.67910087674105 15.999 > 16 62 O 0.58895004550599 0.42940390323197 0.67910087674105 15.999 > 16 63 O 0.08895004550599 0.92940390323197 0.67910087674105 15.999 > 16 64 O 0.58895004550599 0.92940390323197 0.67910087674105 15.999 > 16 *65 O 0.11651297058855 0.19311014820230 0.43192867581724 15.999 > 17 66 O 0.61651297058855 0.19311014820230 0.43192867581724 15.999 > 17 67 O 0.11651297058855 0.69311014820230 0.43192867581724 15.999 > 17 68 O 0.61651297058855 0.69311014820230 0.43192867581724 15.999 > 17 *69 O 0.12663080963730 0.04385687267368 0.50589144521437 15.999 > 18 70 O 0.62663080963730 0.04385687267368 0.50589144521437 15.999 > 18 71 O 0.12663080963730 0.54385687267368 0.50589144521437 15.999 > 18 72 O 0.62663080963730 0.54385687267368 0.50589144521437 15.999 > 18 73 O 0.12336919036270 0.45614312732632 0.00589144521437 15.999 > 19 74 O 0.62336919036270 0.45614312732632 0.00589144521437 15.999 > 19 75 O 0.12336919036270 0.95614312732632 0.00589144521437 15.999 > 19 76 O 0.62336919036270 0.95614312732632 0.00589144521437 15.999 > 19 77 O 0.13348702941145 0.30688985179770 0.93192867581724 15.999 > 20 78 O 0.63348702941145 0.30688985179770 0.93192867581724 15.999 > 20 79 O 0.13348702941145 0.80688985179770 0.93192867581724 15.999 > 20 80 O 0.63348702941145 0.80688985179770 0.93192867581724 15.999 > 20 81 O 0.16104995449401 0.07059609676803 0.17910087674105 15.999 > 21 82 O 0.66104995449401 0.07059609676803 0.17910087674105 15.999 > 21 83 O 0.16104995449401 0.57059609676803 0.17910087674105 15.999 > 21 84 O 0.66104995449401 0.57059609676803 0.17910087674105 15.999 > 21 85 O 0.15628567907710 0.07106690126958 0.76377878879251 15.999 > 22 86 O 0.65628567907710 0.07106690126958 0.76377878879251 15.999 > 22 87 O 0.15628567907710 0.57106690126959 0.76377878879251 15.999 > 22 88 O 0.65628567907710 0.57106690126959 0.76377878879251 15.999 > 22 89 O 0.16541789044800 0.22406105746250 0.69972297206129 15.999 > 23 90 O 0.66541789044800 0.22406105746250 0.69972297206129 15.999 > 23 91 O 0.16541789044800 0.72406105746250 0.69972297206129 15.999 > 23 92 O 0.66541789044800 0.72406105746250 0.69972297206129 15.999 > 23 93 O 0.20868927016350 0.17228616495956 0.97333461173003 15.999 > 24 94 O 0.70868927016350 0.17228616495956 0.97333461173003 15.999 > 24 95 O 0.20868927016350 0.67228616495956 0.97333461173003 15.999 > 24 96 O 0.70868927016350 0.67228616495956 0.97333461173003 15.999 > 24 97 O 0.29131072983650 0.42228616495956 0.52666538826997 15.999 > 25 98 O 0.79131072983650 0.42228616495956 0.52666538826997 15.999 > 25 99 O 0.29131072983650 0.92228616495956 0.52666538826997 15.999 > 25 100 O 0.79131072983650 0.92228616495956 0.52666538826997 15.999 > 25 101 O 0.33458210955200 0.47406105746250 0.80027702793871 15.999 > 26 102 O 0.83458210955200 0.47406105746250 0.80027702793871 15.999 > 26 103 O 0.33458210955200 0.97406105746250 0.80027702793871 15.999 > 26 104 O 0.83458210955200 0.97406105746250 0.80027702793871 15.999 > 26 105 O 0.34371432092290 0.32106690126958 0.73622121120749 15.999 > 27 106 O 0.84371432092290 0.32106690126958 0.73622121120749 15.999 > 27 107 O 0.34371432092290 0.82106690126959 0.73622121120749 15.999 > 27 108 O 0.84371432092290 0.82106690126959 0.73622121120749 15.999 > 27 109 O 0.33895004550599 0.32059609676803 0.32089912325895 15.999 > 28 110 O 0.83895004550599 0.32059609676803 0.32089912325895 15.999 > 28 111 O 0.33895004550599 0.82059609676803 0.32089912325895 15.999 > 28 112 O 0.83895004550599 0.82059609676803 0.32089912325895 15.999 > 28 113 O 0.36651297058855 0.05688985179770 0.56807132418276 15.999 > 29 114 O 0.86651297058855 0.05688985179770 0.56807132418276 15.999 > 29 115 O 0.36651297058855 0.55688985179770 0.56807132418276 15.999 > 29 116 O 0.86651297058855 0.55688985179770 0.56807132418276 15.999 > 29 117 O 0.37663080963730 0.20614312732632 0.49410855478563 15.999 > 30 118 O 0.87663080963730 0.20614312732632 0.49410855478563 15.999 > 30 119 O 0.37663080963730 0.70614312732632 0.49410855478563 15.999 > 30 120 O 0.87663080963730 0.70614312732632 0.49410855478563 15.999 > 30 121 O 0.37336919036270 0.29385687267368 0.99410855478563 15.999 > 31 122 O 0.87336919036270 0.29385687267368 0.99410855478563 15.999 > 31 123 O 0.37336919036270 0.79385687267368 0.99410855478563 15.999 > 31 124 O 0.87336919036270 0.79385687267368 0.99410855478563 15.999 > 31 125 O 0.38348702941145 0.44311014820230 0.06807132418276 15.999 > 32 126 O 0.88348702941145 0.44311014820230 0.06807132418276 15.999 > 32 127 O 0.38348702941145 0.94311014820230 0.06807132418276 15.999 > 32 128 O 0.88348702941145 0.94311014820230 0.06807132418276 15.999 > 32 129 O 0.41104995449401 0.17940390323197 0.82089912325895 15.999 > 33 130 O 0.91104995449401 0.17940390323197 0.82089912325895 15.999 > 33 131 O 0.41104995449401 0.67940390323197 0.82089912325895 15.999 > 33 132 O 0.91104995449401 0.67940390323197 0.82089912325895 15.999 > 33 133 O 0.40628567907710 0.17893309873041 0.23622121120749 15.999 > 34 134 O 0.90628567907710 0.17893309873041 0.23622121120749 15.999 > 34 135 O 0.40628567907710 0.67893309873041 0.23622121120749 15.999 > 34 136 O 0.90628567907710 0.67893309873041 0.23622121120749 15.999 > 34 137 O 0.41541789044800 0.02593894253749 0.30027702793871 15.999 > 35 138 O 0.91541789044800 0.02593894253749 0.30027702793871 15.999 > 35 139 O 0.41541789044800 0.52593894253749 0.30027702793871 15.999 > 35 140 O 0.91541789044800 0.52593894253749 0.30027702793871 15.999 > 35 141 O 0.45868927016350 0.07771383504044 0.02666538826997 15.999 > 36 142 O 0.95868927016350 0.07771383504044 0.02666538826997 15.999 > 36 143 O 0.45868927016350 0.57771383504044 0.02666538826997 15.999 > 36 144 O 0.95868927016350 0.57771383504044 0.02666538826997 15.999 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.1004521 0.0000000 0.0000000 0.0000000 4.0689376 0.0000000 0.0000000 0.0000000 4.1239266 -------------------------- Born effective charges -------------------------- 1 Dy 3.6670972 -0.0546371 -0.0475974 0.0306211 3.7839335 0.1386354 -0.2381138 0.0093874 3.8264890 2 Dy 4.2900468 0.0824711 0.1205634 -0.0775572 4.0532243 0.1704917 0.3123339 0.2383832 3.8714426 3 Dy 4.2900468 0.0824711 -0.1205634 -0.0775572 4.0532243 -0.1704917 -0.3123339 -0.2383832 3.8714426 4 Dy 3.6670972 -0.0546371 0.0475974 0.0306211 3.7839335 -0.1386354 0.2381138 -0.0093874 3.8264890 5 Dy 3.6670972 0.0546371 0.0475974 -0.0306211 3.7839335 0.1386354 0.2381138 0.0093874 3.8264890 6 Dy 4.2900468 -0.0824711 -0.1205634 0.0775572 4.0532243 0.1704917 -0.3123339 0.2383832 3.8714426 7 Dy 4.2900468 -0.0824711 0.1205634 0.0775572 4.0532243 -0.1704917 0.3123339 -0.2383832 3.8714426 8 Dy 3.6670972 0.0546371 -0.0475974 -0.0306211 3.7839335 -0.1386354 -0.2381138 -0.0093874 3.8264890 9 Te 5.1042230 0.1183920 0.1558737 0.0624334 4.8468464 0.0312879 0.0367150 0.2179982 4.9159267 10 Te 5.1042230 0.1183920 -0.1558737 0.0624334 4.8468464 -0.0312879 -0.0367150 -0.2179982 4.9159267 11 Te 5.1042230 -0.1183920 -0.1558737 -0.0624334 4.8468464 0.0312879 -0.0367150 0.2179982 4.9159267 12 Te 5.1042230 -0.1183920 0.1558737 -0.0624334 4.8468464 -0.0312879 0.0367150 -0.2179982 4.9159267 13 O -2.2607812 0.0921532 -0.4853867 0.0698522 -2.6016853 -0.2998232 -0.5379421 -0.2338498 -1.5340802 14 O -2.0566114 -0.6888787 0.3712273 -0.7299327 -1.9301536 0.0279352 0.5397888 0.0733213 -2.4583787 15 O -1.7591783 0.5330925 0.3816105 0.6264774 -1.9077891 0.0387099 0.4283957 0.0293818 -2.3240218 16 O -2.2889600 -0.5590841 0.3885417 -0.5359651 -1.8332114 0.3978496 0.1858376 0.3503307 -2.3168138 17 O -2.4184731 0.5314216 -0.0933500 0.5383808 -2.2290768 0.1014587 -0.1117802 0.2142225 -1.9445763 18 O -2.2773630 -0.1233287 -0.1100757 -0.2200214 -2.1820881 0.2052790 -0.0485416 0.1821745 -2.0359875 19 O -2.2773630 -0.1233287 0.1100757 -0.2200214 -2.1820881 -0.2052790 0.0485416 -0.1821745 -2.0359875 20 O -2.4184731 0.5314216 0.0933500 0.5383808 -2.2290768 -0.1014587 0.1117802 -0.2142225 -1.9445763 21 O -2.2889600 -0.5590841 -0.3885417 -0.5359651 -1.8332114 -0.3978496 -0.1858376 -0.3503307 -2.3168138 22 O -1.7591783 0.5330925 -0.3816105 0.6264774 -1.9077891 -0.0387099 -0.4283957 -0.0293818 -2.3240218 23 O -2.0566114 -0.6888787 -0.3712273 -0.7299327 -1.9301536 -0.0279352 -0.5397888 -0.0733213 -2.4583787 24 O -2.2607812 0.0921532 0.4853867 0.0698522 -2.6016853 0.2998232 0.5379421 0.2338498 -1.5340802 25 O -2.2607812 -0.0921532 0.4853867 -0.0698522 -2.6016853 -0.2998232 0.5379421 -0.2338498 -1.5340802 26 O -2.0566114 0.6888787 -0.3712273 0.7299327 -1.9301536 0.0279352 -0.5397888 0.0733213 -2.4583787 27 O -1.7591783 -0.5330925 -0.3816105 -0.6264774 -1.9077891 0.0387099 -0.4283957 0.0293818 -2.3240218 28 O -2.2889600 0.5590841 -0.3885417 0.5359651 -1.8332114 0.3978496 -0.1858376 0.3503307 -2.3168138 29 O -2.4184731 -0.5314216 0.0933500 -0.5383808 -2.2290768 0.1014587 0.1117802 0.2142225 -1.9445763 30 O -2.2773630 0.1233287 0.1100757 0.2200214 -2.1820881 0.2052790 0.0485416 0.1821745 -2.0359875 31 O -2.2773630 0.1233287 -0.1100757 0.2200214 -2.1820881 -0.2052790 -0.0485416 -0.1821745 -2.0359875 32 O -2.4184731 -0.5314216 -0.0933500 -0.5383808 -2.2290768 -0.1014587 -0.1117802 -0.2142225 -1.9445763 33 O -2.2889600 0.5590841 0.3885417 0.5359651 -1.8332114 -0.3978496 0.1858376 -0.3503307 -2.3168138 34 O -1.7591783 -0.5330925 0.3816105 -0.6264774 -1.9077891 -0.0387099 0.4283957 -0.0293818 -2.3240218 35 O -2.0566114 0.6888787 0.3712273 0.7299327 -1.9301536 -0.0279352 0.5397888 -0.0733213 -2.4583787 36 O -2.2607812 -0.0921532 -0.4853867 -0.0698522 -2.6016853 0.2998232 -0.5379421 0.2338498 -1.5340802 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5940 Number of blocks in projector: 5940 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1296 / 1296 (1) 282 eigenvectors found. (1) Complementary block size: 49 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 284 eigenvectors found. (1) Complementary block size: 46 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 280 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 684 / 684 (1) 175 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 684 / 684 (1) 175 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 684 / 684 (1) 175 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5940, 5859), data: False |-- (684, 675), data: False |-- (684, 9), data: (684, 18) @ (18, 9) |-- (184, 175), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (684, 675), data: False |-- (684, 9), data: (684, 18) @ (18, 9) |-- (184, 175), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (684, 675), data: False |-- (684, 9), data: (684, 18) @ (18, 9) |-- (184, 175), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 280), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 28), data: (1296, 46) @ (46, 28) |-- (296, 284), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 31), data: (1296, 49) @ (49, 31) |-- (296, 282), data: True |-- (500, 483), data: False |-- (500, 13), data: (500, 30) @ (30, 13) |-- (250, 234), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1120 - Time: 1.908 Solver_block: 200 / 1120 - Time: 1.696 Solver_block: 300 / 1120 - Time: 1.697 Solver_block: 400 / 1120 - Time: 1.701 Solver_block: 500 / 1120 - Time: 1.702 Solver_block: 600 / 1120 - Time: 1.704 Solver_block: 700 / 1120 - Time: 1.699 Solver_block: 800 / 1120 - Time: 1.697 Solver_block: 900 / 1120 - Time: 1.698 Solver_block: 1000 / 1120 - Time: 1.703 Solver_block: 1100 / 1120 - Time: 1.700 Solver_block: 1120 / 1120 - Time: 0.548 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 20.028 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5940 Number of blocks in projector: 5940 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1296 / 1296 (1) 282 eigenvectors found. (1) Complementary block size: 49 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 284 eigenvectors found. (1) Complementary block size: 46 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 280 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 684 / 684 (1) 175 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 684 / 684 (1) 175 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 684 / 684 (1) 175 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5940, 5859), data: False |-- (684, 675), data: False |-- (684, 9), data: (684, 18) @ (18, 9) |-- (184, 175), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (684, 675), data: False |-- (684, 9), data: (684, 18) @ (18, 9) |-- (184, 175), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (684, 675), data: False |-- (684, 9), data: (684, 18) @ (18, 9) |-- (184, 175), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 280), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 28), data: (1296, 46) @ (46, 28) |-- (296, 284), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 31), data: (1296, 49) @ (49, 31) |-- (296, 282), data: True |-- (500, 483), data: False |-- (500, 13), data: (500, 30) @ (30, 13) |-- (250, 234), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), 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 2026-01-09 00:52:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:52:40]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_12_12_1 (19) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.251945809999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.034488129999998 0.000000000000000 c 0.000000000000000 0.000000000000000 9.892765739999998 Atomic positions (fractional): 1 Dy 0.02150693746495 0.39671567890493 0.03658235630219 162.500 2 Dy 0.03960762755119 0.28247761055725 0.63334594145794 162.500 3 Dy 0.46039237244881 0.71752238944275 0.13334594145794 162.500 4 Dy 0.47849306253505 0.60328432109507 0.53658235630219 162.500 5 Dy 0.52150693746495 0.10328432109507 0.96341764369781 162.500 6 Dy 0.53960762755119 0.21752238944275 0.36665405854206 162.500 7 Dy 0.96039237244881 0.78247761055725 0.86665405854206 162.500 8 Dy 0.97849306253505 0.89671567890493 0.46341764369781 162.500 9 Te 0.04013663067002 0.00524636127059 0.14877534609398 127.600 10 Te 0.45986336932998 0.99475363872941 0.64877534609398 127.600 11 Te 0.54013663067002 0.49475363872941 0.85122465390602 127.600 12 Te 0.95986336932998 0.50524636127059 0.35122465390602 127.600 13 O 0.08262145967301 0.65542767008087 0.47333461173003 15.999 14 O 0.16916421910400 0.55187788507499 0.19972297206129 15.999 15 O 0.18742864184579 0.85786619746083 0.26377878879251 15.999 16 O 0.17790009101198 0.85880780646394 0.67910087674105 15.999 17 O 0.23302594117711 0.38622029640460 0.43192867581724 15.999 18 O 0.25326161927459 0.08771374534736 0.50589144521437 15.999 19 O 0.24673838072541 0.91228625465264 0.00589144521437 15.999 20 O 0.26697405882289 0.61377970359540 0.93192867581724 15.999 21 O 0.32209990898802 0.14119219353606 0.17910087674105 15.999 22 O 0.31257135815421 0.14213380253917 0.76377878879251 15.999 23 O 0.33083578089600 0.44812211492501 0.69972297206129 15.999 24 O 0.41737854032699 0.34457232991913 0.97333461173003 15.999 25 O 0.58262145967301 0.84457232991913 0.52666538826997 15.999 26 O 0.66916421910400 0.94812211492501 0.80027702793871 15.999 27 O 0.68742864184579 0.64213380253917 0.73622121120749 15.999 28 O 0.67790009101198 0.64119219353606 0.32089912325895 15.999 29 O 0.73302594117711 0.11377970359540 0.56807132418276 15.999 30 O 0.75326161927459 0.41228625465264 0.49410855478563 15.999 31 O 0.74673838072541 0.58771374534736 0.99410855478563 15.999 32 O 0.76697405882289 0.88622029640460 0.06807132418276 15.999 33 O 0.82209990898802 0.35880780646394 0.82089912325895 15.999 34 O 0.81257135815421 0.35786619746083 0.23622121120749 15.999 35 O 0.83083578089600 0.05187788507499 0.30027702793871 15.999 36 O 0.91737854032699 0.15542767008087 0.02666538826997 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.503891619999997 0.000000000000000 0.000000000000000 b 0.000000000000000 18.068976259999996 0.000000000000000 c 0.000000000000000 0.000000000000000 9.892765739999998 Atomic positions (fractional): 1 Dy 0.01075346873248 0.19835783945246 0.03658235630219 162.500 > 1 2 Dy 0.51075346873248 0.19835783945246 0.03658235630219 162.500 > 1 3 Dy 0.01075346873248 0.69835783945246 0.03658235630219 162.500 > 1 4 Dy 0.51075346873248 0.69835783945246 0.03658235630219 162.500 > 1 5 Dy 0.01980381377559 0.14123880527862 0.63334594145794 162.500 > 5 6 Dy 0.51980381377559 0.14123880527862 0.63334594145794 162.500 > 5 7 Dy 0.01980381377559 0.64123880527862 0.63334594145794 162.500 > 5 8 Dy 0.51980381377559 0.64123880527862 0.63334594145794 162.500 > 5 9 Dy 0.23019618622441 0.35876119472138 0.13334594145794 162.500 > 9 10 Dy 0.73019618622441 0.35876119472138 0.13334594145794 162.500 > 9 11 Dy 0.23019618622441 0.85876119472138 0.13334594145794 162.500 > 9 12 Dy 0.73019618622441 0.85876119472138 0.13334594145794 162.500 > 9 13 Dy 0.23924653126752 0.30164216054754 0.53658235630219 162.500 > 13 14 Dy 0.73924653126752 0.30164216054754 0.53658235630219 162.500 > 13 15 Dy 0.23924653126752 0.80164216054754 0.53658235630219 162.500 > 13 16 Dy 0.73924653126752 0.80164216054754 0.53658235630219 162.500 > 13 17 Dy 0.26075346873248 0.05164216054754 0.96341764369781 162.500 > 17 18 Dy 0.76075346873248 0.05164216054754 0.96341764369781 162.500 > 17 19 Dy 0.26075346873248 0.55164216054754 0.96341764369781 162.500 > 17 20 Dy 0.76075346873248 0.55164216054754 0.96341764369781 162.500 > 17 21 Dy 0.26980381377559 0.10876119472138 0.36665405854206 162.500 > 21 22 Dy 0.76980381377559 0.10876119472138 0.36665405854206 162.500 > 21 23 Dy 0.26980381377559 0.60876119472138 0.36665405854206 162.500 > 21 24 Dy 0.76980381377559 0.60876119472138 0.36665405854206 162.500 > 21 25 Dy 0.48019618622441 0.39123880527862 0.86665405854206 162.500 > 25 26 Dy 0.98019618622441 0.39123880527862 0.86665405854206 162.500 > 25 27 Dy 0.48019618622441 0.89123880527862 0.86665405854206 162.500 > 25 28 Dy 0.98019618622441 0.89123880527862 0.86665405854206 162.500 > 25 29 Dy 0.48924653126752 0.44835783945246 0.46341764369781 162.500 > 29 30 Dy 0.98924653126752 0.44835783945246 0.46341764369781 162.500 > 29 31 Dy 0.48924653126752 0.94835783945246 0.46341764369781 162.500 > 29 32 Dy 0.98924653126752 0.94835783945246 0.46341764369781 162.500 > 29 33 Te 0.02006831533501 0.00262318063530 0.14877534609398 127.600 > 33 34 Te 0.52006831533501 0.00262318063530 0.14877534609398 127.600 > 33 35 Te 0.02006831533501 0.50262318063530 0.14877534609398 127.600 > 33 36 Te 0.52006831533501 0.50262318063530 0.14877534609398 127.600 > 33 37 Te 0.22993168466499 0.49737681936470 0.64877534609398 127.600 > 37 38 Te 0.72993168466499 0.49737681936470 0.64877534609398 127.600 > 37 39 Te 0.22993168466499 0.99737681936470 0.64877534609398 127.600 > 37 40 Te 0.72993168466499 0.99737681936470 0.64877534609398 127.600 > 37 41 Te 0.27006831533501 0.24737681936470 0.85122465390602 127.600 > 41 42 Te 0.77006831533501 0.24737681936470 0.85122465390602 127.600 > 41 43 Te 0.27006831533501 0.74737681936470 0.85122465390602 127.600 > 41 44 Te 0.77006831533501 0.74737681936470 0.85122465390602 127.600 > 41 45 Te 0.47993168466499 0.25262318063530 0.35122465390602 127.600 > 45 46 Te 0.97993168466499 0.25262318063530 0.35122465390602 127.600 > 45 47 Te 0.47993168466499 0.75262318063530 0.35122465390602 127.600 > 45 48 Te 0.97993168466499 0.75262318063530 0.35122465390602 127.600 > 45 49 O 0.04131072983650 0.32771383504044 0.47333461173003 15.999 > 49 50 O 0.54131072983650 0.32771383504044 0.47333461173003 15.999 > 49 51 O 0.04131072983650 0.82771383504044 0.47333461173003 15.999 > 49 52 O 0.54131072983650 0.82771383504044 0.47333461173003 15.999 > 49 53 O 0.08458210955200 0.27593894253750 0.19972297206129 15.999 > 53 54 O 0.58458210955200 0.27593894253750 0.19972297206129 15.999 > 53 55 O 0.08458210955200 0.77593894253750 0.19972297206129 15.999 > 53 56 O 0.58458210955200 0.77593894253750 0.19972297206129 15.999 > 53 57 O 0.09371432092290 0.42893309873042 0.26377878879251 15.999 > 57 58 O 0.59371432092290 0.42893309873042 0.26377878879251 15.999 > 57 59 O 0.09371432092290 0.92893309873041 0.26377878879251 15.999 > 57 60 O 0.59371432092290 0.92893309873041 0.26377878879251 15.999 > 57 61 O 0.08895004550599 0.42940390323197 0.67910087674105 15.999 > 61 62 O 0.58895004550599 0.42940390323197 0.67910087674105 15.999 > 61 63 O 0.08895004550599 0.92940390323197 0.67910087674105 15.999 > 61 64 O 0.58895004550599 0.92940390323197 0.67910087674105 15.999 > 61 65 O 0.11651297058855 0.19311014820230 0.43192867581724 15.999 > 65 66 O 0.61651297058855 0.19311014820230 0.43192867581724 15.999 > 65 67 O 0.11651297058855 0.69311014820230 0.43192867581724 15.999 > 65 68 O 0.61651297058855 0.69311014820230 0.43192867581724 15.999 > 65 69 O 0.12663080963730 0.04385687267368 0.50589144521437 15.999 > 69 70 O 0.62663080963730 0.04385687267368 0.50589144521437 15.999 > 69 71 O 0.12663080963730 0.54385687267368 0.50589144521437 15.999 > 69 72 O 0.62663080963730 0.54385687267368 0.50589144521437 15.999 > 69 73 O 0.12336919036270 0.45614312732632 0.00589144521437 15.999 > 73 74 O 0.62336919036270 0.45614312732632 0.00589144521437 15.999 > 73 75 O 0.12336919036270 0.95614312732632 0.00589144521437 15.999 > 73 76 O 0.62336919036270 0.95614312732632 0.00589144521437 15.999 > 73 77 O 0.13348702941145 0.30688985179770 0.93192867581724 15.999 > 77 78 O 0.63348702941145 0.30688985179770 0.93192867581724 15.999 > 77 79 O 0.13348702941145 0.80688985179770 0.93192867581724 15.999 > 77 80 O 0.63348702941145 0.80688985179770 0.93192867581724 15.999 > 77 81 O 0.16104995449401 0.07059609676803 0.17910087674105 15.999 > 81 82 O 0.66104995449401 0.07059609676803 0.17910087674105 15.999 > 81 83 O 0.16104995449401 0.57059609676803 0.17910087674105 15.999 > 81 84 O 0.66104995449401 0.57059609676803 0.17910087674105 15.999 > 81 85 O 0.15628567907710 0.07106690126958 0.76377878879251 15.999 > 85 86 O 0.65628567907710 0.07106690126958 0.76377878879251 15.999 > 85 87 O 0.15628567907710 0.57106690126959 0.76377878879251 15.999 > 85 88 O 0.65628567907710 0.57106690126959 0.76377878879251 15.999 > 85 89 O 0.16541789044800 0.22406105746250 0.69972297206129 15.999 > 89 90 O 0.66541789044800 0.22406105746250 0.69972297206129 15.999 > 89 91 O 0.16541789044800 0.72406105746250 0.69972297206129 15.999 > 89 92 O 0.66541789044800 0.72406105746250 0.69972297206129 15.999 > 89 93 O 0.20868927016350 0.17228616495956 0.97333461173003 15.999 > 93 94 O 0.70868927016350 0.17228616495956 0.97333461173003 15.999 > 93 95 O 0.20868927016350 0.67228616495956 0.97333461173003 15.999 > 93 96 O 0.70868927016350 0.67228616495956 0.97333461173003 15.999 > 93 97 O 0.29131072983650 0.42228616495956 0.52666538826997 15.999 > 97 98 O 0.79131072983650 0.42228616495956 0.52666538826997 15.999 > 97 99 O 0.29131072983650 0.92228616495956 0.52666538826997 15.999 > 97 100 O 0.79131072983650 0.92228616495956 0.52666538826997 15.999 > 97 101 O 0.33458210955200 0.47406105746250 0.80027702793871 15.999 > 101 102 O 0.83458210955200 0.47406105746250 0.80027702793871 15.999 > 101 103 O 0.33458210955200 0.97406105746250 0.80027702793871 15.999 > 101 104 O 0.83458210955200 0.97406105746250 0.80027702793871 15.999 > 101 105 O 0.34371432092290 0.32106690126958 0.73622121120749 15.999 > 105 106 O 0.84371432092290 0.32106690126958 0.73622121120749 15.999 > 105 107 O 0.34371432092290 0.82106690126959 0.73622121120749 15.999 > 105 108 O 0.84371432092290 0.82106690126959 0.73622121120749 15.999 > 105 109 O 0.33895004550599 0.32059609676803 0.32089912325895 15.999 > 109 110 O 0.83895004550599 0.32059609676803 0.32089912325895 15.999 > 109 111 O 0.33895004550599 0.82059609676803 0.32089912325895 15.999 > 109 112 O 0.83895004550599 0.82059609676803 0.32089912325895 15.999 > 109 113 O 0.36651297058855 0.05688985179770 0.56807132418276 15.999 > 113 114 O 0.86651297058855 0.05688985179770 0.56807132418276 15.999 > 113 115 O 0.36651297058855 0.55688985179770 0.56807132418276 15.999 > 113 116 O 0.86651297058855 0.55688985179770 0.56807132418276 15.999 > 113 117 O 0.37663080963730 0.20614312732632 0.49410855478563 15.999 > 117 118 O 0.87663080963730 0.20614312732632 0.49410855478563 15.999 > 117 119 O 0.37663080963730 0.70614312732632 0.49410855478563 15.999 > 117 120 O 0.87663080963730 0.70614312732632 0.49410855478563 15.999 > 117 121 O 0.37336919036270 0.29385687267368 0.99410855478563 15.999 > 121 122 O 0.87336919036270 0.29385687267368 0.99410855478563 15.999 > 121 123 O 0.37336919036270 0.79385687267368 0.99410855478563 15.999 > 121 124 O 0.87336919036270 0.79385687267368 0.99410855478563 15.999 > 121 125 O 0.38348702941145 0.44311014820230 0.06807132418276 15.999 > 125 126 O 0.88348702941145 0.44311014820230 0.06807132418276 15.999 > 125 127 O 0.38348702941145 0.94311014820230 0.06807132418276 15.999 > 125 128 O 0.88348702941145 0.94311014820230 0.06807132418276 15.999 > 125 129 O 0.41104995449401 0.17940390323197 0.82089912325895 15.999 > 129 130 O 0.91104995449401 0.17940390323197 0.82089912325895 15.999 > 129 131 O 0.41104995449401 0.67940390323197 0.82089912325895 15.999 > 129 132 O 0.91104995449401 0.67940390323197 0.82089912325895 15.999 > 129 133 O 0.40628567907710 0.17893309873041 0.23622121120749 15.999 > 133 134 O 0.90628567907710 0.17893309873041 0.23622121120749 15.999 > 133 135 O 0.40628567907710 0.67893309873041 0.23622121120749 15.999 > 133 136 O 0.90628567907710 0.67893309873041 0.23622121120749 15.999 > 133 137 O 0.41541789044800 0.02593894253749 0.30027702793871 15.999 > 137 138 O 0.91541789044800 0.02593894253749 0.30027702793871 15.999 > 137 139 O 0.41541789044800 0.52593894253749 0.30027702793871 15.999 > 137 140 O 0.91541789044800 0.52593894253749 0.30027702793871 15.999 > 137 141 O 0.45868927016350 0.07771383504044 0.02666538826997 15.999 > 141 142 O 0.95868927016350 0.07771383504044 0.02666538826997 15.999 > 141 143 O 0.45868927016350 0.57771383504044 0.02666538826997 15.999 > 141 144 O 0.95868927016350 0.57771383504044 0.02666538826997 15.999 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.1004521 0.0000000 0.0000000 0.0000000 4.0689376 0.0000000 0.0000000 0.0000000 4.1239266 -------------------------- Born effective charges -------------------------- 1 Dy 3.6670972 -0.0546371 -0.0475974 0.0306211 3.7839335 0.1386354 -0.2381138 0.0093874 3.8264890 2 Dy 4.2900468 0.0824711 0.1205634 -0.0775572 4.0532243 0.1704917 0.3123339 0.2383832 3.8714426 3 Dy 4.2900468 0.0824711 -0.1205634 -0.0775572 4.0532243 -0.1704917 -0.3123339 -0.2383832 3.8714426 4 Dy 3.6670972 -0.0546371 0.0475974 0.0306211 3.7839335 -0.1386354 0.2381138 -0.0093874 3.8264890 5 Dy 3.6670972 0.0546371 0.0475974 -0.0306211 3.7839335 0.1386354 0.2381138 0.0093874 3.8264890 6 Dy 4.2900468 -0.0824711 -0.1205634 0.0775572 4.0532243 0.1704917 -0.3123339 0.2383832 3.8714426 7 Dy 4.2900468 -0.0824711 0.1205634 0.0775572 4.0532243 -0.1704917 0.3123339 -0.2383832 3.8714426 8 Dy 3.6670972 0.0546371 -0.0475974 -0.0306211 3.7839335 -0.1386354 -0.2381138 -0.0093874 3.8264890 9 Te 5.1042230 0.1183920 0.1558737 0.0624334 4.8468464 0.0312879 0.0367150 0.2179982 4.9159267 10 Te 5.1042230 0.1183920 -0.1558737 0.0624334 4.8468464 -0.0312879 -0.0367150 -0.2179982 4.9159267 11 Te 5.1042230 -0.1183920 -0.1558737 -0.0624334 4.8468464 0.0312879 -0.0367150 0.2179982 4.9159267 12 Te 5.1042230 -0.1183920 0.1558737 -0.0624334 4.8468464 -0.0312879 0.0367150 -0.2179982 4.9159267 13 O -2.2607812 0.0921532 -0.4853867 0.0698522 -2.6016853 -0.2998232 -0.5379421 -0.2338498 -1.5340802 14 O -2.0566114 -0.6888787 0.3712273 -0.7299327 -1.9301536 0.0279352 0.5397888 0.0733213 -2.4583787 15 O -1.7591783 0.5330925 0.3816105 0.6264774 -1.9077891 0.0387099 0.4283957 0.0293818 -2.3240218 16 O -2.2889600 -0.5590841 0.3885417 -0.5359651 -1.8332114 0.3978496 0.1858376 0.3503307 -2.3168138 17 O -2.4184731 0.5314216 -0.0933500 0.5383808 -2.2290768 0.1014587 -0.1117802 0.2142225 -1.9445763 18 O -2.2773630 -0.1233287 -0.1100757 -0.2200214 -2.1820881 0.2052790 -0.0485416 0.1821745 -2.0359875 19 O -2.2773630 -0.1233287 0.1100757 -0.2200214 -2.1820881 -0.2052790 0.0485416 -0.1821745 -2.0359875 20 O -2.4184731 0.5314216 0.0933500 0.5383808 -2.2290768 -0.1014587 0.1117802 -0.2142225 -1.9445763 21 O -2.2889600 -0.5590841 -0.3885417 -0.5359651 -1.8332114 -0.3978496 -0.1858376 -0.3503307 -2.3168138 22 O -1.7591783 0.5330925 -0.3816105 0.6264774 -1.9077891 -0.0387099 -0.4283957 -0.0293818 -2.3240218 23 O -2.0566114 -0.6888787 -0.3712273 -0.7299327 -1.9301536 -0.0279352 -0.5397888 -0.0733213 -2.4583787 24 O -2.2607812 0.0921532 0.4853867 0.0698522 -2.6016853 0.2998232 0.5379421 0.2338498 -1.5340802 25 O -2.2607812 -0.0921532 0.4853867 -0.0698522 -2.6016853 -0.2998232 0.5379421 -0.2338498 -1.5340802 26 O -2.0566114 0.6888787 -0.3712273 0.7299327 -1.9301536 0.0279352 -0.5397888 0.0733213 -2.4583787 27 O -1.7591783 -0.5330925 -0.3816105 -0.6264774 -1.9077891 0.0387099 -0.4283957 0.0293818 -2.3240218 28 O -2.2889600 0.5590841 -0.3885417 0.5359651 -1.8332114 0.3978496 -0.1858376 0.3503307 -2.3168138 29 O -2.4184731 -0.5314216 0.0933500 -0.5383808 -2.2290768 0.1014587 0.1117802 0.2142225 -1.9445763 30 O -2.2773630 0.1233287 0.1100757 0.2200214 -2.1820881 0.2052790 0.0485416 0.1821745 -2.0359875 31 O -2.2773630 0.1233287 -0.1100757 0.2200214 -2.1820881 -0.2052790 -0.0485416 -0.1821745 -2.0359875 32 O -2.4184731 -0.5314216 -0.0933500 -0.5383808 -2.2290768 -0.1014587 -0.1117802 -0.2142225 -1.9445763 33 O -2.2889600 0.5590841 0.3885417 0.5359651 -1.8332114 -0.3978496 0.1858376 -0.3503307 -2.3168138 34 O -1.7591783 -0.5330925 0.3816105 -0.6264774 -1.9077891 -0.0387099 0.4283957 -0.0293818 -2.3240218 35 O -2.0566114 0.6888787 0.3712273 0.7299327 -1.9301536 -0.0279352 0.5397888 -0.0733213 -2.4583787 36 O -2.2607812 -0.0921532 -0.4853867 -0.0698522 -2.6016853 0.2998232 -0.5379421 0.2338498 -1.5340802 ---------------------------------------------------------------------------- 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[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 53, 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[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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[ 69, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (xxx) 0.00000001 (xxx) 0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000002 (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 2026-01-09 00:53:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:53:44]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_12_12_1 (19) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.251945809999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.034488129999998 0.000000000000000 c 0.000000000000000 0.000000000000000 9.892765739999998 Atomic positions (fractional): 1 Dy 0.02150693746495 0.39671567890493 0.03658235630219 162.500 2 Dy 0.03960762755119 0.28247761055725 0.63334594145794 162.500 3 Dy 0.46039237244881 0.71752238944275 0.13334594145794 162.500 4 Dy 0.47849306253505 0.60328432109507 0.53658235630219 162.500 5 Dy 0.52150693746495 0.10328432109507 0.96341764369781 162.500 6 Dy 0.53960762755119 0.21752238944275 0.36665405854206 162.500 7 Dy 0.96039237244881 0.78247761055725 0.86665405854206 162.500 8 Dy 0.97849306253505 0.89671567890493 0.46341764369781 162.500 9 Te 0.04013663067002 0.00524636127059 0.14877534609398 127.600 10 Te 0.45986336932998 0.99475363872941 0.64877534609398 127.600 11 Te 0.54013663067002 0.49475363872941 0.85122465390602 127.600 12 Te 0.95986336932998 0.50524636127059 0.35122465390602 127.600 13 O 0.08262145967301 0.65542767008087 0.47333461173003 15.999 14 O 0.16916421910400 0.55187788507499 0.19972297206129 15.999 15 O 0.18742864184579 0.85786619746083 0.26377878879251 15.999 16 O 0.17790009101198 0.85880780646394 0.67910087674105 15.999 17 O 0.23302594117711 0.38622029640460 0.43192867581724 15.999 18 O 0.25326161927459 0.08771374534736 0.50589144521437 15.999 19 O 0.24673838072541 0.91228625465264 0.00589144521437 15.999 20 O 0.26697405882289 0.61377970359540 0.93192867581724 15.999 21 O 0.32209990898802 0.14119219353606 0.17910087674105 15.999 22 O 0.31257135815421 0.14213380253917 0.76377878879251 15.999 23 O 0.33083578089600 0.44812211492501 0.69972297206129 15.999 24 O 0.41737854032699 0.34457232991913 0.97333461173003 15.999 25 O 0.58262145967301 0.84457232991913 0.52666538826997 15.999 26 O 0.66916421910400 0.94812211492501 0.80027702793871 15.999 27 O 0.68742864184579 0.64213380253917 0.73622121120749 15.999 28 O 0.67790009101198 0.64119219353606 0.32089912325895 15.999 29 O 0.73302594117711 0.11377970359540 0.56807132418276 15.999 30 O 0.75326161927459 0.41228625465264 0.49410855478563 15.999 31 O 0.74673838072541 0.58771374534736 0.99410855478563 15.999 32 O 0.76697405882289 0.88622029640460 0.06807132418276 15.999 33 O 0.82209990898802 0.35880780646394 0.82089912325895 15.999 34 O 0.81257135815421 0.35786619746083 0.23622121120749 15.999 35 O 0.83083578089600 0.05187788507499 0.30027702793871 15.999 36 O 0.91737854032699 0.15542767008087 0.02666538826997 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.503891619999997 0.000000000000000 0.000000000000000 b 0.000000000000000 18.068976259999996 0.000000000000000 c 0.000000000000000 0.000000000000000 9.892765739999998 Atomic positions (fractional): 1 Dy 0.01075346873248 0.19835783945246 0.03658235630219 162.500 > 1 2 Dy 0.51075346873248 0.19835783945246 0.03658235630219 162.500 > 1 3 Dy 0.01075346873248 0.69835783945246 0.03658235630219 162.500 > 1 4 Dy 0.51075346873248 0.69835783945246 0.03658235630219 162.500 > 1 5 Dy 0.01980381377559 0.14123880527862 0.63334594145794 162.500 > 5 6 Dy 0.51980381377559 0.14123880527862 0.63334594145794 162.500 > 5 7 Dy 0.01980381377559 0.64123880527862 0.63334594145794 162.500 > 5 8 Dy 0.51980381377559 0.64123880527862 0.63334594145794 162.500 > 5 9 Dy 0.23019618622441 0.35876119472138 0.13334594145794 162.500 > 9 10 Dy 0.73019618622441 0.35876119472138 0.13334594145794 162.500 > 9 11 Dy 0.23019618622441 0.85876119472138 0.13334594145794 162.500 > 9 12 Dy 0.73019618622441 0.85876119472138 0.13334594145794 162.500 > 9 13 Dy 0.23924653126752 0.30164216054754 0.53658235630219 162.500 > 13 14 Dy 0.73924653126752 0.30164216054754 0.53658235630219 162.500 > 13 15 Dy 0.23924653126752 0.80164216054754 0.53658235630219 162.500 > 13 16 Dy 0.73924653126752 0.80164216054754 0.53658235630219 162.500 > 13 17 Dy 0.26075346873248 0.05164216054754 0.96341764369781 162.500 > 17 18 Dy 0.76075346873248 0.05164216054754 0.96341764369781 162.500 > 17 19 Dy 0.26075346873248 0.55164216054754 0.96341764369781 162.500 > 17 20 Dy 0.76075346873248 0.55164216054754 0.96341764369781 162.500 > 17 21 Dy 0.26980381377559 0.10876119472138 0.36665405854206 162.500 > 21 22 Dy 0.76980381377559 0.10876119472138 0.36665405854206 162.500 > 21 23 Dy 0.26980381377559 0.60876119472138 0.36665405854206 162.500 > 21 24 Dy 0.76980381377559 0.60876119472138 0.36665405854206 162.500 > 21 25 Dy 0.48019618622441 0.39123880527862 0.86665405854206 162.500 > 25 26 Dy 0.98019618622441 0.39123880527862 0.86665405854206 162.500 > 25 27 Dy 0.48019618622441 0.89123880527862 0.86665405854206 162.500 > 25 28 Dy 0.98019618622441 0.89123880527862 0.86665405854206 162.500 > 25 29 Dy 0.48924653126752 0.44835783945246 0.46341764369781 162.500 > 29 30 Dy 0.98924653126752 0.44835783945246 0.46341764369781 162.500 > 29 31 Dy 0.48924653126752 0.94835783945246 0.46341764369781 162.500 > 29 32 Dy 0.98924653126752 0.94835783945246 0.46341764369781 162.500 > 29 33 Te 0.02006831533501 0.00262318063530 0.14877534609398 127.600 > 33 34 Te 0.52006831533501 0.00262318063530 0.14877534609398 127.600 > 33 35 Te 0.02006831533501 0.50262318063530 0.14877534609398 127.600 > 33 36 Te 0.52006831533501 0.50262318063530 0.14877534609398 127.600 > 33 37 Te 0.22993168466499 0.49737681936470 0.64877534609398 127.600 > 37 38 Te 0.72993168466499 0.49737681936470 0.64877534609398 127.600 > 37 39 Te 0.22993168466499 0.99737681936470 0.64877534609398 127.600 > 37 40 Te 0.72993168466499 0.99737681936470 0.64877534609398 127.600 > 37 41 Te 0.27006831533501 0.24737681936470 0.85122465390602 127.600 > 41 42 Te 0.77006831533501 0.24737681936470 0.85122465390602 127.600 > 41 43 Te 0.27006831533501 0.74737681936470 0.85122465390602 127.600 > 41 44 Te 0.77006831533501 0.74737681936470 0.85122465390602 127.600 > 41 45 Te 0.47993168466499 0.25262318063530 0.35122465390602 127.600 > 45 46 Te 0.97993168466499 0.25262318063530 0.35122465390602 127.600 > 45 47 Te 0.47993168466499 0.75262318063530 0.35122465390602 127.600 > 45 48 Te 0.97993168466499 0.75262318063530 0.35122465390602 127.600 > 45 49 O 0.04131072983650 0.32771383504044 0.47333461173003 15.999 > 49 50 O 0.54131072983650 0.32771383504044 0.47333461173003 15.999 > 49 51 O 0.04131072983650 0.82771383504044 0.47333461173003 15.999 > 49 52 O 0.54131072983650 0.82771383504044 0.47333461173003 15.999 > 49 53 O 0.08458210955200 0.27593894253750 0.19972297206129 15.999 > 53 54 O 0.58458210955200 0.27593894253750 0.19972297206129 15.999 > 53 55 O 0.08458210955200 0.77593894253750 0.19972297206129 15.999 > 53 56 O 0.58458210955200 0.77593894253750 0.19972297206129 15.999 > 53 57 O 0.09371432092290 0.42893309873042 0.26377878879251 15.999 > 57 58 O 0.59371432092290 0.42893309873042 0.26377878879251 15.999 > 57 59 O 0.09371432092290 0.92893309873041 0.26377878879251 15.999 > 57 60 O 0.59371432092290 0.92893309873041 0.26377878879251 15.999 > 57 61 O 0.08895004550599 0.42940390323197 0.67910087674105 15.999 > 61 62 O 0.58895004550599 0.42940390323197 0.67910087674105 15.999 > 61 63 O 0.08895004550599 0.92940390323197 0.67910087674105 15.999 > 61 64 O 0.58895004550599 0.92940390323197 0.67910087674105 15.999 > 61 65 O 0.11651297058855 0.19311014820230 0.43192867581724 15.999 > 65 66 O 0.61651297058855 0.19311014820230 0.43192867581724 15.999 > 65 67 O 0.11651297058855 0.69311014820230 0.43192867581724 15.999 > 65 68 O 0.61651297058855 0.69311014820230 0.43192867581724 15.999 > 65 69 O 0.12663080963730 0.04385687267368 0.50589144521437 15.999 > 69 70 O 0.62663080963730 0.04385687267368 0.50589144521437 15.999 > 69 71 O 0.12663080963730 0.54385687267368 0.50589144521437 15.999 > 69 72 O 0.62663080963730 0.54385687267368 0.50589144521437 15.999 > 69 73 O 0.12336919036270 0.45614312732632 0.00589144521437 15.999 > 73 74 O 0.62336919036270 0.45614312732632 0.00589144521437 15.999 > 73 75 O 0.12336919036270 0.95614312732632 0.00589144521437 15.999 > 73 76 O 0.62336919036270 0.95614312732632 0.00589144521437 15.999 > 73 77 O 0.13348702941145 0.30688985179770 0.93192867581724 15.999 > 77 78 O 0.63348702941145 0.30688985179770 0.93192867581724 15.999 > 77 79 O 0.13348702941145 0.80688985179770 0.93192867581724 15.999 > 77 80 O 0.63348702941145 0.80688985179770 0.93192867581724 15.999 > 77 81 O 0.16104995449401 0.07059609676803 0.17910087674105 15.999 > 81 82 O 0.66104995449401 0.07059609676803 0.17910087674105 15.999 > 81 83 O 0.16104995449401 0.57059609676803 0.17910087674105 15.999 > 81 84 O 0.66104995449401 0.57059609676803 0.17910087674105 15.999 > 81 85 O 0.15628567907710 0.07106690126958 0.76377878879251 15.999 > 85 86 O 0.65628567907710 0.07106690126958 0.76377878879251 15.999 > 85 87 O 0.15628567907710 0.57106690126959 0.76377878879251 15.999 > 85 88 O 0.65628567907710 0.57106690126959 0.76377878879251 15.999 > 85 89 O 0.16541789044800 0.22406105746250 0.69972297206129 15.999 > 89 90 O 0.66541789044800 0.22406105746250 0.69972297206129 15.999 > 89 91 O 0.16541789044800 0.72406105746250 0.69972297206129 15.999 > 89 92 O 0.66541789044800 0.72406105746250 0.69972297206129 15.999 > 89 93 O 0.20868927016350 0.17228616495956 0.97333461173003 15.999 > 93 94 O 0.70868927016350 0.17228616495956 0.97333461173003 15.999 > 93 95 O 0.20868927016350 0.67228616495956 0.97333461173003 15.999 > 93 96 O 0.70868927016350 0.67228616495956 0.97333461173003 15.999 > 93 97 O 0.29131072983650 0.42228616495956 0.52666538826997 15.999 > 97 98 O 0.79131072983650 0.42228616495956 0.52666538826997 15.999 > 97 99 O 0.29131072983650 0.92228616495956 0.52666538826997 15.999 > 97 100 O 0.79131072983650 0.92228616495956 0.52666538826997 15.999 > 97 101 O 0.33458210955200 0.47406105746250 0.80027702793871 15.999 > 101 102 O 0.83458210955200 0.47406105746250 0.80027702793871 15.999 > 101 103 O 0.33458210955200 0.97406105746250 0.80027702793871 15.999 > 101 104 O 0.83458210955200 0.97406105746250 0.80027702793871 15.999 > 101 105 O 0.34371432092290 0.32106690126958 0.73622121120749 15.999 > 105 106 O 0.84371432092290 0.32106690126958 0.73622121120749 15.999 > 105 107 O 0.34371432092290 0.82106690126959 0.73622121120749 15.999 > 105 108 O 0.84371432092290 0.82106690126959 0.73622121120749 15.999 > 105 109 O 0.33895004550599 0.32059609676803 0.32089912325895 15.999 > 109 110 O 0.83895004550599 0.32059609676803 0.32089912325895 15.999 > 109 111 O 0.33895004550599 0.82059609676803 0.32089912325895 15.999 > 109 112 O 0.83895004550599 0.82059609676803 0.32089912325895 15.999 > 109 113 O 0.36651297058855 0.05688985179770 0.56807132418276 15.999 > 113 114 O 0.86651297058855 0.05688985179770 0.56807132418276 15.999 > 113 115 O 0.36651297058855 0.55688985179770 0.56807132418276 15.999 > 113 116 O 0.86651297058855 0.55688985179770 0.56807132418276 15.999 > 113 117 O 0.37663080963730 0.20614312732632 0.49410855478563 15.999 > 117 118 O 0.87663080963730 0.20614312732632 0.49410855478563 15.999 > 117 119 O 0.37663080963730 0.70614312732632 0.49410855478563 15.999 > 117 120 O 0.87663080963730 0.70614312732632 0.49410855478563 15.999 > 117 121 O 0.37336919036270 0.29385687267368 0.99410855478563 15.999 > 121 122 O 0.87336919036270 0.29385687267368 0.99410855478563 15.999 > 121 123 O 0.37336919036270 0.79385687267368 0.99410855478563 15.999 > 121 124 O 0.87336919036270 0.79385687267368 0.99410855478563 15.999 > 121 125 O 0.38348702941145 0.44311014820230 0.06807132418276 15.999 > 125 126 O 0.88348702941145 0.44311014820230 0.06807132418276 15.999 > 125 127 O 0.38348702941145 0.94311014820230 0.06807132418276 15.999 > 125 128 O 0.88348702941145 0.94311014820230 0.06807132418276 15.999 > 125 129 O 0.41104995449401 0.17940390323197 0.82089912325895 15.999 > 129 130 O 0.91104995449401 0.17940390323197 0.82089912325895 15.999 > 129 131 O 0.41104995449401 0.67940390323197 0.82089912325895 15.999 > 129 132 O 0.91104995449401 0.67940390323197 0.82089912325895 15.999 > 129 133 O 0.40628567907710 0.17893309873041 0.23622121120749 15.999 > 133 134 O 0.90628567907710 0.17893309873041 0.23622121120749 15.999 > 133 135 O 0.40628567907710 0.67893309873041 0.23622121120749 15.999 > 133 136 O 0.90628567907710 0.67893309873041 0.23622121120749 15.999 > 133 137 O 0.41541789044800 0.02593894253749 0.30027702793871 15.999 > 137 138 O 0.91541789044800 0.02593894253749 0.30027702793871 15.999 > 137 139 O 0.41541789044800 0.52593894253749 0.30027702793871 15.999 > 137 140 O 0.91541789044800 0.52593894253749 0.30027702793871 15.999 > 137 141 O 0.45868927016350 0.07771383504044 0.02666538826997 15.999 > 141 142 O 0.95868927016350 0.07771383504044 0.02666538826997 15.999 > 141 143 O 0.45868927016350 0.57771383504044 0.02666538826997 15.999 > 141 144 O 0.95868927016350 0.57771383504044 0.02666538826997 15.999 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.1004521 0.0000000 0.0000000 0.0000000 4.0689376 0.0000000 0.0000000 0.0000000 4.1239266 -------------------------- Born effective charges -------------------------- 1 Dy 3.6670972 -0.0546371 -0.0475974 0.0306211 3.7839335 0.1386354 -0.2381138 0.0093874 3.8264890 2 Dy 4.2900468 0.0824711 0.1205634 -0.0775572 4.0532243 0.1704917 0.3123339 0.2383832 3.8714426 3 Dy 4.2900468 0.0824711 -0.1205634 -0.0775572 4.0532243 -0.1704917 -0.3123339 -0.2383832 3.8714426 4 Dy 3.6670972 -0.0546371 0.0475974 0.0306211 3.7839335 -0.1386354 0.2381138 -0.0093874 3.8264890 5 Dy 3.6670972 0.0546371 0.0475974 -0.0306211 3.7839335 0.1386354 0.2381138 0.0093874 3.8264890 6 Dy 4.2900468 -0.0824711 -0.1205634 0.0775572 4.0532243 0.1704917 -0.3123339 0.2383832 3.8714426 7 Dy 4.2900468 -0.0824711 0.1205634 0.0775572 4.0532243 -0.1704917 0.3123339 -0.2383832 3.8714426 8 Dy 3.6670972 0.0546371 -0.0475974 -0.0306211 3.7839335 -0.1386354 -0.2381138 -0.0093874 3.8264890 9 Te 5.1042230 0.1183920 0.1558737 0.0624334 4.8468464 0.0312879 0.0367150 0.2179982 4.9159267 10 Te 5.1042230 0.1183920 -0.1558737 0.0624334 4.8468464 -0.0312879 -0.0367150 -0.2179982 4.9159267 11 Te 5.1042230 -0.1183920 -0.1558737 -0.0624334 4.8468464 0.0312879 -0.0367150 0.2179982 4.9159267 12 Te 5.1042230 -0.1183920 0.1558737 -0.0624334 4.8468464 -0.0312879 0.0367150 -0.2179982 4.9159267 13 O -2.2607812 0.0921532 -0.4853867 0.0698522 -2.6016853 -0.2998232 -0.5379421 -0.2338498 -1.5340802 14 O -2.0566114 -0.6888787 0.3712273 -0.7299327 -1.9301536 0.0279352 0.5397888 0.0733213 -2.4583787 15 O -1.7591783 0.5330925 0.3816105 0.6264774 -1.9077891 0.0387099 0.4283957 0.0293818 -2.3240218 16 O -2.2889600 -0.5590841 0.3885417 -0.5359651 -1.8332114 0.3978496 0.1858376 0.3503307 -2.3168138 17 O -2.4184731 0.5314216 -0.0933500 0.5383808 -2.2290768 0.1014587 -0.1117802 0.2142225 -1.9445763 18 O -2.2773630 -0.1233287 -0.1100757 -0.2200214 -2.1820881 0.2052790 -0.0485416 0.1821745 -2.0359875 19 O -2.2773630 -0.1233287 0.1100757 -0.2200214 -2.1820881 -0.2052790 0.0485416 -0.1821745 -2.0359875 20 O -2.4184731 0.5314216 0.0933500 0.5383808 -2.2290768 -0.1014587 0.1117802 -0.2142225 -1.9445763 21 O -2.2889600 -0.5590841 -0.3885417 -0.5359651 -1.8332114 -0.3978496 -0.1858376 -0.3503307 -2.3168138 22 O -1.7591783 0.5330925 -0.3816105 0.6264774 -1.9077891 -0.0387099 -0.4283957 -0.0293818 -2.3240218 23 O -2.0566114 -0.6888787 -0.3712273 -0.7299327 -1.9301536 -0.0279352 -0.5397888 -0.0733213 -2.4583787 24 O -2.2607812 0.0921532 0.4853867 0.0698522 -2.6016853 0.2998232 0.5379421 0.2338498 -1.5340802 25 O -2.2607812 -0.0921532 0.4853867 -0.0698522 -2.6016853 -0.2998232 0.5379421 -0.2338498 -1.5340802 26 O -2.0566114 0.6888787 -0.3712273 0.7299327 -1.9301536 0.0279352 -0.5397888 0.0733213 -2.4583787 27 O -1.7591783 -0.5330925 -0.3816105 -0.6264774 -1.9077891 0.0387099 -0.4283957 0.0293818 -2.3240218 28 O -2.2889600 0.5590841 -0.3885417 0.5359651 -1.8332114 0.3978496 -0.1858376 0.3503307 -2.3168138 29 O -2.4184731 -0.5314216 0.0933500 -0.5383808 -2.2290768 0.1014587 0.1117802 0.2142225 -1.9445763 30 O -2.2773630 0.1233287 0.1100757 0.2200214 -2.1820881 0.2052790 0.0485416 0.1821745 -2.0359875 31 O -2.2773630 0.1233287 -0.1100757 0.2200214 -2.1820881 -0.2052790 -0.0485416 -0.1821745 -2.0359875 32 O -2.4184731 -0.5314216 -0.0933500 -0.5383808 -2.2290768 -0.1014587 -0.1117802 -0.2142225 -1.9445763 33 O -2.2889600 0.5590841 0.3885417 0.5359651 -1.8332114 -0.3978496 0.1858376 -0.3503307 -2.3168138 34 O -1.7591783 -0.5330925 0.3816105 -0.6264774 -1.9077891 -0.0387099 0.4283957 -0.0293818 -2.3240218 35 O -2.0566114 0.6888787 0.3712273 0.7299327 -1.9301536 -0.0279352 0.5397888 -0.0733213 -2.4583787 36 O -2.2607812 -0.0921532 -0.4853867 -0.0698522 -2.6016853 0.2998232 -0.5379421 0.2338498 -1.5340802 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (xxx) 0.00000001 (xxx) 0.00000001 (xxx) Max drift of fc2: 0.00000000 (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 ... [ 10 6 5 ] 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: 0.53, Number of G-points: 291, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 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 2.204 ( 0.000 0.000 0.000) 0.000 2.230 ( 0.000 0.000 0.000) 0.000 2.496 ( 0.000 0.000 0.000) 0.000 2.571 ( 0.000 0.000 0.000) 0.000 2.704 ( 0.000 0.000 0.000) 0.000 2.904 ( 0.000 0.000 0.000) 0.000 2.927 ( 0.000 0.000 0.000) 0.000 3.130 ( 0.000 0.000 0.000) 0.000 3.191 ( 0.000 0.000 0.000) 0.000 3.203 ( 0.000 0.000 0.000) 0.000 3.357 ( 0.000 0.000 0.000) 0.000 3.379 ( 0.000 0.000 0.000) 0.000 3.556 ( 0.000 0.000 0.000) 0.000 3.573 ( 0.000 0.000 0.000) 0.000 3.749 ( 0.000 0.000 0.000) 0.000 3.934 ( 0.000 0.000 0.000) 0.000 4.140 ( 0.000 0.000 0.000) 0.000 4.172 ( 0.000 0.000 0.000) 0.000 4.500 ( 0.000 0.000 0.000) 0.000 4.567 ( 0.000 0.000 0.000) 0.000 4.633 ( 0.000 0.000 0.000) 0.000 4.680 ( 0.000 0.000 0.000) 0.000 4.913 ( 0.000 0.000 0.000) 0.000 4.965 ( 0.000 0.000 0.000) 0.000 5.094 ( 0.000 0.000 0.000) 0.000 5.221 ( 0.000 0.000 0.000) 0.000 5.335 ( 0.000 0.000 0.000) 0.000 5.455 ( 0.000 0.000 0.000) 0.000 5.520 ( 0.000 0.000 0.000) 0.000 5.551 ( 0.000 0.000 0.000) 0.000 5.569 ( 0.000 0.000 0.000) 0.000 5.790 ( 0.000 0.000 0.000) 0.000 5.922 ( 0.000 0.000 0.000) 0.000 6.087 ( 0.000 0.000 0.000) 0.000 6.103 ( 0.000 0.000 0.000) 0.000 6.273 ( 0.000 0.000 0.000) 0.000 6.329 ( 0.000 0.000 0.000) 0.000 7.272 ( 0.000 0.000 0.000) 0.000 7.395 ( 0.000 0.000 0.000) 0.000 7.682 ( 0.000 0.000 0.000) 0.000 7.710 ( 0.000 0.000 0.000) 0.000 7.816 ( 0.000 0.000 0.000) 0.000 7.964 ( 0.000 0.000 0.000) 0.000 8.028 ( 0.000 0.000 0.000) 0.000 8.233 ( 0.000 0.000 0.000) 0.000 8.730 ( 0.000 0.000 0.000) 0.000 8.738 ( 0.000 0.000 0.000) 0.000 9.088 ( 0.000 0.000 0.000) 0.000 9.140 ( 0.000 0.000 0.000) 0.000 9.452 ( 0.000 0.000 0.000) 0.000 9.572 ( 0.000 0.000 0.000) 0.000 9.621 ( 0.000 0.000 0.000) 0.000 9.751 ( 0.000 0.000 0.000) 0.000 9.995 ( 0.000 0.000 0.000) 0.000 10.015 ( 0.000 0.000 0.000) 0.000 10.129 ( 0.000 0.000 0.000) 0.000 10.271 ( 0.000 0.000 0.000) 0.000 10.486 ( 0.000 0.000 0.000) 0.000 10.709 ( 0.000 0.000 0.000) 0.000 11.173 ( 0.000 0.000 0.000) 0.000 11.363 ( 0.000 0.000 0.000) 0.000 12.049 ( 0.000 0.000 0.000) 0.000 12.291 ( 0.000 0.000 0.000) 0.000 12.472 ( 0.000 0.000 0.000) 0.000 12.551 ( 0.000 0.000 0.000) 0.000 12.609 ( 0.000 0.000 0.000) 0.000 13.332 ( 0.000 0.000 0.000) 0.000 13.579 ( 0.000 0.000 0.000) 0.000 13.678 ( 0.000 0.000 0.000) 0.000 13.943 ( 0.000 0.000 0.000) 0.000 14.321 ( 0.000 0.000 0.000) 0.000 14.444 ( 0.000 0.000 0.000) 0.000 14.808 ( 0.000 0.000 0.000) 0.000 14.877 ( 0.000 0.000 0.000) 0.000 15.139 ( 0.000 0.000 0.000) 0.000 15.231 ( 0.000 0.000 0.000) 0.000 15.661 ( 0.000 0.000 0.000) 0.000 15.912 ( 0.000 0.000 0.000) 0.000 16.279 ( 0.000 0.000 0.000) 0.000 16.570 ( 0.000 0.000 0.000) 0.000 16.700 ( 0.000 0.000 0.000) 0.000 16.868 ( 0.000 0.000 0.000) 0.000 17.037 ( 0.000 0.000 0.000) 0.000 17.508 ( 0.000 0.000 0.000) 0.000 17.675 ( 0.000 0.000 0.000) 0.000 17.742 ( 0.000 0.000 0.000) 0.000 18.249 ( 0.000 0.000 0.000) 0.000 18.401 ( 0.000 0.000 0.000) 0.000 18.419 ( 0.000 0.000 0.000) 0.000 18.830 ( 0.000 0.000 0.000) 0.000 18.965 ( 0.000 0.000 0.000) 0.000 19.013 ( 0.000 0.000 0.000) 0.000 19.067 ( 0.000 0.000 0.000) 0.000 19.421 ( 0.000 0.000 0.000) 0.000 19.457 ( 0.000 0.000 0.000) 0.000 19.910 ( 0.000 0.000 0.000) 0.000 20.268 ( 0.000 0.000 0.000) 0.000 20.313 ( 0.000 0.000 0.000) 0.000 20.549 ( 0.000 0.000 0.000) 0.000 20.861 ( 0.000 0.000 0.000) 0.000 21.187 ( 0.000 0.000 0.000) 0.000 21.466 ( 0.000 0.000 0.000) 0.000 21.701 ( 0.000 0.000 0.000) 0.000 21.828 ( 0.000 0.000 0.000) 0.000 22.430 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/72) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.556 ( 28.756 0.000 0.000) 28.756 0.590 ( 30.629 0.000 0.000) 30.629 1.071 ( 54.933 0.000 0.000) 54.933 2.239 ( 0.861 0.000 0.000) 0.861 2.279 ( 7.305 0.000 0.000) 7.305 2.477 ( -2.241 0.000 0.000) 2.241 2.637 ( 6.100 0.000 0.000) 6.100 2.743 ( 3.662 0.000 0.000) 3.662 2.919 ( 1.685 0.000 0.000) 1.685 2.959 ( 2.947 0.000 0.000) 2.947 3.070 ( -5.082 0.000 0.000) 5.082 3.204 ( 0.048 0.000 0.000) 0.048 3.214 ( 1.196 0.000 0.000) 1.196 3.313 ( -2.846 0.000 0.000) 2.846 3.400 ( 0.007 0.000 0.000) 0.007 3.538 ( -3.810 0.000 0.000) 3.810 3.562 ( -2.358 0.000 0.000) 2.358 3.707 ( -4.303 0.000 0.000) 4.303 3.973 ( -1.273 0.000 0.000) 1.273 4.093 ( -5.113 0.000 0.000) 5.113 4.132 ( -4.063 0.000 0.000) 4.063 4.458 ( -3.382 0.000 0.000) 3.382 4.573 ( 0.246 0.000 0.000) 0.246 4.623 ( -1.143 0.000 0.000) 1.143 4.758 ( 4.600 0.000 0.000) 4.600 4.783 ( -8.950 0.000 0.000) 8.950 4.966 ( -1.819 0.000 0.000) 1.819 5.165 ( 5.131 0.000 0.000) 5.131 5.214 ( 0.304 0.000 0.000) 0.304 5.334 ( -7.585 0.000 0.000) 7.585 5.346 ( 1.053 0.000 0.000) 1.053 5.615 ( 3.516 0.000 0.000) 3.516 5.670 ( 7.179 0.000 0.000) 7.179 5.835 ( 4.637 0.000 0.000) 4.637 5.896 ( -2.798 0.000 0.000) 2.798 6.029 ( 2.141 0.000 0.000) 2.141 6.091 ( -0.814 0.000 0.000) 0.814 6.136 ( 3.302 0.000 0.000) 3.302 6.278 ( 0.395 0.000 0.000) 0.395 6.719 ( -5.459 0.000 0.000) 5.459 7.249 ( -1.299 0.000 0.000) 1.299 7.431 ( 2.722 0.000 0.000) 2.722 7.657 ( -5.081 0.000 0.000) 5.081 7.683 ( -0.328 0.000 0.000) 0.328 7.828 ( 1.082 0.000 0.000) 1.082 7.890 ( -4.598 0.000 0.000) 4.598 8.062 ( 1.540 0.000 0.000) 1.540 8.321 ( 5.872 0.000 0.000) 5.872 8.655 ( -7.284 0.000 0.000) 7.284 8.656 ( -6.235 0.000 0.000) 6.235 9.098 ( 0.473 0.000 0.000) 0.473 9.167 ( 0.228 0.000 0.000) 0.228 9.488 ( 3.306 0.000 0.000) 3.306 9.563 ( -1.351 0.000 0.000) 1.351 9.709 ( -2.663 0.000 0.000) 2.663 9.718 ( -4.388 0.000 0.000) 4.388 10.030 ( -0.287 0.000 0.000) 0.287 10.050 ( 4.929 0.000 0.000) 4.929 10.155 ( 5.228 0.000 0.000) 5.228 10.485 ( 1.765 0.000 0.000) 1.765 10.609 ( 10.892 0.000 0.000) 10.892 10.776 ( 6.281 0.000 0.000) 6.281 11.403 ( 4.004 0.000 0.000) 4.004 11.659 ( 1.933 0.000 0.000) 1.933 12.063 ( 1.485 0.000 0.000) 1.485 12.300 ( 0.957 0.000 0.000) 0.957 12.470 ( 0.107 0.000 0.000) 0.107 12.651 ( 4.133 0.000 0.000) 4.133 12.664 ( -1.559 0.000 0.000) 1.559 13.540 ( -4.820 0.000 0.000) 4.820 13.647 ( -2.155 0.000 0.000) 2.155 13.988 ( 4.407 0.000 0.000) 4.407 14.047 ( -2.134 0.000 0.000) 2.134 14.316 ( -0.724 0.000 0.000) 0.724 14.435 ( -0.974 0.000 0.000) 0.974 14.764 ( -4.254 0.000 0.000) 4.254 15.067 ( -6.903 0.000 0.000) 6.903 15.229 ( -0.154 0.000 0.000) 0.154 15.471 ( -9.531 0.000 0.000) 9.531 15.892 ( 11.055 0.000 0.000) 11.055 16.237 ( 2.719 0.000 0.000) 2.719 16.389 ( -11.869 0.000 0.000) 11.869 16.536 ( -3.521 0.000 0.000) 3.521 16.849 ( 10.677 0.000 0.000) 10.677 17.047 ( 1.470 0.000 0.000) 1.470 17.426 ( 1.818 0.000 0.000) 1.818 17.488 ( -1.060 0.000 0.000) 1.060 17.666 ( -1.140 0.000 0.000) 1.140 17.754 ( -2.555 0.000 0.000) 2.555 18.283 ( 2.717 0.000 0.000) 2.717 18.455 ( 3.525 0.000 0.000) 3.525 18.479 ( 7.125 0.000 0.000) 7.125 18.829 ( -0.182 0.000 0.000) 0.182 18.956 ( -1.039 0.000 0.000) 1.039 19.080 ( 0.177 0.000 0.000) 0.177 19.415 ( -0.834 0.000 0.000) 0.834 19.446 ( -1.037 0.000 0.000) 1.037 19.907 ( 1.686 0.000 0.000) 1.686 20.237 ( -7.951 0.000 0.000) 7.951 20.310 ( 3.754 0.000 0.000) 3.754 20.586 ( 3.528 0.000 0.000) 3.528 20.680 ( -0.170 0.000 0.000) 0.170 20.985 ( -4.092 0.000 0.000) 4.092 21.457 ( -0.762 0.000 0.000) 0.762 21.494 ( -4.101 0.000 0.000) 4.101 21.734 ( 2.508 0.000 0.000) 2.508 21.842 ( 1.332 0.000 0.000) 1.332 22.559 ( -4.623 0.000 0.000) 4.623 ======================= Grid point 2 (3/72) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( 26.603 0.000 0.000) 26.603 1.159 ( 28.900 0.000 0.000) 28.900 2.056 ( 46.137 0.000 0.000) 46.137 2.264 ( 2.447 0.000 0.000) 2.447 2.395 ( -6.255 0.000 0.000) 6.255 2.449 ( 9.698 0.000 0.000) 9.698 2.741 ( 2.952 0.000 0.000) 2.952 2.824 ( 4.535 0.000 0.000) 4.535 2.954 ( -6.135 0.000 0.000) 6.135 2.973 ( 3.602 0.000 0.000) 3.602 3.016 ( 1.729 0.000 0.000) 1.729 3.195 ( -1.294 0.000 0.000) 1.294 3.210 ( -2.081 0.000 0.000) 2.081 3.268 ( -1.682 0.000 0.000) 1.682 3.378 ( -2.698 0.000 0.000) 2.698 3.423 ( -8.085 0.000 0.000) 8.085 3.539 ( 1.744 0.000 0.000) 1.744 3.605 ( -5.669 0.000 0.000) 5.669 3.935 ( -3.628 0.000 0.000) 3.628 3.959 ( -7.375 0.000 0.000) 7.375 4.040 ( -4.637 0.000 0.000) 4.637 4.386 ( -3.841 0.000 0.000) 3.841 4.564 ( -5.250 0.000 0.000) 5.250 4.580 ( 0.276 0.000 0.000) 0.276 4.654 ( -3.536 0.000 0.000) 3.536 4.863 ( 6.077 0.000 0.000) 6.077 4.945 ( -0.034 0.000 0.000) 0.034 5.173 ( -1.713 0.000 0.000) 1.713 5.208 ( -5.308 0.000 0.000) 5.308 5.292 ( 4.498 0.000 0.000) 4.498 5.367 ( 1.178 0.000 0.000) 1.178 5.664 ( 1.136 0.000 0.000) 1.136 5.756 ( 0.515 0.000 0.000) 0.515 5.858 ( 0.228 0.000 0.000) 0.228 5.950 ( 6.689 0.000 0.000) 6.689 6.089 ( 0.679 0.000 0.000) 0.679 6.115 ( 6.158 0.000 0.000) 6.158 6.187 ( 1.908 0.000 0.000) 1.908 6.286 ( 0.682 0.000 0.000) 0.682 6.577 ( -8.855 0.000 0.000) 8.855 7.248 ( 1.330 0.000 0.000) 1.330 7.482 ( 2.514 0.000 0.000) 2.514 7.527 ( -7.129 0.000 0.000) 7.129 7.691 ( 1.014 0.000 0.000) 1.014 7.821 ( -3.290 0.000 0.000) 3.290 7.847 ( 0.596 0.000 0.000) 0.596 8.101 ( 2.530 0.000 0.000) 2.530 8.365 ( -2.229 0.000 0.000) 2.229 8.487 ( -9.822 0.000 0.000) 9.822 8.578 ( -1.135 0.000 0.000) 1.135 9.091 ( -1.324 0.000 0.000) 1.324 9.112 ( -5.189 0.000 0.000) 5.189 9.523 ( -1.975 0.000 0.000) 1.975 9.539 ( 1.055 0.000 0.000) 1.055 9.642 ( -3.618 0.000 0.000) 3.618 9.683 ( 0.039 0.000 0.000) 0.039 10.058 ( 3.935 0.000 0.000) 3.935 10.160 ( 6.119 0.000 0.000) 6.119 10.292 ( 7.924 0.000 0.000) 7.924 10.528 ( 2.569 0.000 0.000) 2.569 10.835 ( 11.585 0.000 0.000) 11.585 10.915 ( 7.511 0.000 0.000) 7.511 11.501 ( 5.735 0.000 0.000) 5.735 11.707 ( 2.807 0.000 0.000) 2.807 12.109 ( 3.353 0.000 0.000) 3.353 12.327 ( 1.973 0.000 0.000) 1.973 12.496 ( 3.147 0.000 0.000) 3.147 12.618 ( -2.971 0.000 0.000) 2.971 12.760 ( 6.822 0.000 0.000) 6.822 13.384 ( -10.844 0.000 0.000) 10.844 13.634 ( 0.917 0.000 0.000) 0.917 13.993 ( -3.232 0.000 0.000) 3.232 14.091 ( 5.768 0.000 0.000) 5.768 14.283 ( -2.950 0.000 0.000) 2.950 14.404 ( -2.361 0.000 0.000) 2.361 14.666 ( -5.605 0.000 0.000) 5.605 14.921 ( -6.963 0.000 0.000) 6.963 15.228 ( 0.125 0.000 0.000) 0.125 15.301 ( -8.695 0.000 0.000) 8.695 16.063 ( 2.194 0.000 0.000) 2.194 16.141 ( -7.681 0.000 0.000) 7.681 16.338 ( 6.172 0.000 0.000) 6.172 16.450 ( -4.812 0.000 0.000) 4.812 17.073 ( 12.733 0.000 0.000) 12.733 17.093 ( 2.575 0.000 0.000) 2.575 17.468 ( 2.469 0.000 0.000) 2.469 17.476 ( -0.961 0.000 0.000) 0.961 17.658 ( 1.696 0.000 0.000) 1.696 17.722 ( -0.354 0.000 0.000) 0.354 18.321 ( 0.542 0.000 0.000) 0.542 18.536 ( 4.525 0.000 0.000) 4.525 18.623 ( 6.883 0.000 0.000) 6.883 18.818 ( -1.171 0.000 0.000) 1.171 18.927 ( -1.753 0.000 0.000) 1.753 19.030 ( -5.366 0.000 0.000) 5.366 19.404 ( 0.396 0.000 0.000) 0.396 19.425 ( -0.944 0.000 0.000) 0.944 20.018 ( 9.287 0.000 0.000) 9.287 20.020 ( -14.362 0.000 0.000) 14.362 20.396 ( 5.202 0.000 0.000) 5.202 20.664 ( 4.210 0.000 0.000) 4.210 20.674 ( -0.441 0.000 0.000) 0.441 20.902 ( -4.289 0.000 0.000) 4.289 21.390 ( -6.768 0.000 0.000) 6.768 21.449 ( 0.172 0.000 0.000) 0.172 21.767 ( 0.495 0.000 0.000) 0.495 21.871 ( 1.543 0.000 0.000) 1.543 22.443 ( -7.180 0.000 0.000) 7.180 ======================= Grid point 3 (4/72) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( 21.588 0.000 0.000) 21.588 1.682 ( 25.891 0.000 0.000) 25.891 2.179 ( -10.524 0.000 0.000) 10.524 2.332 ( 3.455 0.000 0.000) 3.455 2.613 ( 5.661 0.000 0.000) 5.661 2.746 ( -0.236 0.000 0.000) 0.236 2.755 ( 15.183 0.000 0.000) 15.183 2.830 ( -6.877 0.000 0.000) 6.877 2.891 ( -1.109 0.000 0.000) 1.109 2.951 ( -5.387 0.000 0.000) 5.387 3.033 ( -1.752 0.000 0.000) 1.752 3.162 ( -2.107 0.000 0.000) 2.107 3.207 ( 5.191 0.000 0.000) 5.191 3.240 ( 0.537 0.000 0.000) 0.537 3.315 ( -0.047 0.000 0.000) 0.047 3.324 ( 1.006 0.000 0.000) 1.006 3.507 ( -4.503 0.000 0.000) 4.503 3.627 ( 4.163 0.000 0.000) 4.163 3.824 ( -1.360 0.000 0.000) 1.360 3.878 ( -3.580 0.000 0.000) 3.580 3.990 ( -0.176 0.000 0.000) 0.176 4.333 ( -1.241 0.000 0.000) 1.241 4.490 ( -2.023 0.000 0.000) 2.023 4.569 ( -1.540 0.000 0.000) 1.540 4.594 ( -3.748 0.000 0.000) 3.748 4.947 ( -0.919 0.000 0.000) 0.919 4.979 ( 5.782 0.000 0.000) 5.782 5.136 ( -1.584 0.000 0.000) 1.584 5.143 ( -1.244 0.000 0.000) 1.244 5.348 ( 1.384 0.000 0.000) 1.384 5.401 ( 2.583 0.000 0.000) 2.583 5.650 ( -2.217 0.000 0.000) 2.217 5.722 ( -2.744 0.000 0.000) 2.744 5.872 ( -0.299 0.000 0.000) 0.299 6.067 ( 5.321 0.000 0.000) 5.321 6.103 ( 0.501 0.000 0.000) 0.501 6.184 ( -0.529 0.000 0.000) 0.529 6.257 ( 6.217 0.000 0.000) 6.217 6.322 ( 3.125 0.000 0.000) 3.125 6.410 ( -7.784 0.000 0.000) 7.784 7.292 ( 2.815 0.000 0.000) 2.815 7.416 ( -4.219 0.000 0.000) 4.219 7.527 ( 2.238 0.000 0.000) 2.238 7.702 ( -1.746 0.000 0.000) 1.746 7.769 ( -0.308 0.000 0.000) 0.308 7.846 ( -0.429 0.000 0.000) 0.429 8.153 ( 2.275 0.000 0.000) 2.275 8.274 ( -6.103 0.000 0.000) 6.103 8.304 ( -8.143 0.000 0.000) 8.143 8.566 ( -1.499 0.000 0.000) 1.499 9.011 ( -4.624 0.000 0.000) 4.624 9.048 ( -3.003 0.000 0.000) 3.003 9.519 ( -2.407 0.000 0.000) 2.407 9.519 ( 1.903 0.000 0.000) 1.903 9.574 ( -3.478 0.000 0.000) 3.478 9.708 ( 1.824 0.000 0.000) 1.824 10.156 ( 5.556 0.000 0.000) 5.556 10.264 ( 4.413 0.000 0.000) 4.413 10.433 ( 6.624 0.000 0.000) 6.624 10.574 ( 2.106 0.000 0.000) 2.106 11.020 ( 7.448 0.000 0.000) 7.448 11.041 ( 5.529 0.000 0.000) 5.529 11.605 ( 4.876 0.000 0.000) 4.876 11.752 ( 1.548 0.000 0.000) 1.548 12.189 ( 4.927 0.000 0.000) 4.927 12.381 ( 3.648 0.000 0.000) 3.648 12.557 ( -3.186 0.000 0.000) 3.186 12.600 ( 7.576 0.000 0.000) 7.576 12.890 ( 6.219 0.000 0.000) 6.219 13.157 ( -12.228 0.000 0.000) 12.228 13.682 ( 4.120 0.000 0.000) 4.120 13.934 ( -2.764 0.000 0.000) 2.764 14.182 ( 1.788 0.000 0.000) 1.788 14.211 ( -2.296 0.000 0.000) 2.296 14.343 ( -4.154 0.000 0.000) 4.154 14.563 ( -5.114 0.000 0.000) 5.114 14.842 ( -1.163 0.000 0.000) 1.163 15.133 ( -8.785 0.000 0.000) 8.785 15.238 ( 1.237 0.000 0.000) 1.237 15.844 ( -13.799 0.000 0.000) 13.799 16.225 ( 5.624 0.000 0.000) 5.624 16.374 ( -2.888 0.000 0.000) 2.888 16.481 ( 8.493 0.000 0.000) 8.493 17.106 ( -2.155 0.000 0.000) 2.155 17.323 ( 12.928 0.000 0.000) 12.928 17.456 ( -0.043 0.000 0.000) 0.043 17.517 ( 2.580 0.000 0.000) 2.580 17.739 ( 5.424 0.000 0.000) 5.424 17.748 ( 3.149 0.000 0.000) 3.149 18.284 ( -4.638 0.000 0.000) 4.638 18.623 ( 4.770 0.000 0.000) 4.770 18.699 ( 0.334 0.000 0.000) 0.334 18.770 ( -4.120 0.000 0.000) 4.120 18.913 ( 0.924 0.000 0.000) 0.924 18.942 ( -1.932 0.000 0.000) 1.932 19.407 ( -1.665 0.000 0.000) 1.665 19.432 ( 2.148 0.000 0.000) 2.148 19.723 ( -15.559 0.000 0.000) 15.559 20.210 ( 9.957 0.000 0.000) 9.957 20.506 ( 6.051 0.000 0.000) 6.051 20.663 ( -0.691 0.000 0.000) 0.691 20.741 ( 3.985 0.000 0.000) 3.985 20.822 ( -4.300 0.000 0.000) 4.300 21.241 ( -8.612 0.000 0.000) 8.612 21.473 ( 2.457 0.000 0.000) 2.457 21.749 ( -2.177 0.000 0.000) 2.177 21.900 ( 1.678 0.000 0.000) 1.678 22.299 ( -7.673 0.000 0.000) 7.673 ======================= Grid point 4 (5/72) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( 9.789 0.000 0.000) 9.789 1.990 ( -7.353 0.000 0.000) 7.353 2.136 ( 21.445 0.000 0.000) 21.445 2.432 ( 6.001 0.000 0.000) 6.001 2.598 ( -4.087 0.000 0.000) 4.087 2.692 ( -7.117 0.000 0.000) 7.117 2.703 ( -7.672 0.000 0.000) 7.672 2.776 ( -4.626 0.000 0.000) 4.626 2.815 ( 4.249 0.000 0.000) 4.249 2.905 ( -9.257 0.000 0.000) 9.257 2.966 ( -0.509 0.000 0.000) 0.509 3.118 ( 1.013 0.000 0.000) 1.013 3.134 ( -6.091 0.000 0.000) 6.091 3.257 ( -1.566 0.000 0.000) 1.566 3.382 ( 3.899 0.000 0.000) 3.899 3.455 ( 0.324 0.000 0.000) 0.324 3.477 ( -0.738 0.000 0.000) 0.738 3.637 ( -2.371 0.000 0.000) 2.371 3.850 ( 5.905 0.000 0.000) 5.905 4.008 ( 0.758 0.000 0.000) 0.758 4.081 ( 22.866 0.000 0.000) 22.866 4.351 ( 3.646 0.000 0.000) 3.646 4.466 ( -1.477 0.000 0.000) 1.477 4.506 ( -4.701 0.000 0.000) 4.701 4.526 ( -2.607 0.000 0.000) 2.607 4.868 ( -8.323 0.000 0.000) 8.323 5.063 ( 2.787 0.000 0.000) 2.787 5.119 ( -0.627 0.000 0.000) 0.627 5.167 ( 3.496 0.000 0.000) 3.496 5.330 ( -3.664 0.000 0.000) 3.664 5.464 ( 4.042 0.000 0.000) 4.042 5.634 ( 2.203 0.000 0.000) 2.203 5.656 ( -4.482 0.000 0.000) 4.482 5.828 ( -4.231 0.000 0.000) 4.231 6.102 ( 0.143 0.000 0.000) 0.143 6.149 ( -2.439 0.000 0.000) 2.439 6.164 ( 4.360 0.000 0.000) 4.360 6.298 ( -3.731 0.000 0.000) 3.731 6.360 ( 3.647 0.000 0.000) 3.647 6.381 ( 2.360 0.000 0.000) 2.360 7.334 ( 1.276 0.000 0.000) 1.276 7.364 ( -1.560 0.000 0.000) 1.560 7.564 ( 1.524 0.000 0.000) 1.524 7.633 ( -3.656 0.000 0.000) 3.656 7.811 ( 3.136 0.000 0.000) 3.136 7.848 ( 0.929 0.000 0.000) 0.929 8.106 ( -5.288 0.000 0.000) 5.288 8.154 ( -6.154 0.000 0.000) 6.154 8.283 ( 4.604 0.000 0.000) 4.604 8.505 ( -4.849 0.000 0.000) 4.849 8.951 ( -1.641 0.000 0.000) 1.641 8.988 ( -2.909 0.000 0.000) 2.909 9.478 ( -1.361 0.000 0.000) 1.361 9.513 ( -2.778 0.000 0.000) 2.778 9.586 ( 4.550 0.000 0.000) 4.550 9.721 ( -0.881 0.000 0.000) 0.881 10.252 ( 4.309 0.000 0.000) 4.309 10.319 ( 1.295 0.000 0.000) 1.295 10.537 ( 4.155 0.000 0.000) 4.155 10.601 ( 0.572 0.000 0.000) 0.572 11.118 ( 3.125 0.000 0.000) 3.125 11.120 ( 2.748 0.000 0.000) 2.748 11.682 ( 3.286 0.000 0.000) 3.286 11.760 ( -0.637 0.000 0.000) 0.637 12.285 ( 4.852 0.000 0.000) 4.852 12.428 ( -0.967 0.000 0.000) 0.967 12.543 ( 4.025 0.000 0.000) 4.025 12.744 ( 4.862 0.000 0.000) 4.862 12.952 ( -7.343 0.000 0.000) 7.343 12.974 ( 2.022 0.000 0.000) 2.022 13.779 ( 5.334 0.000 0.000) 5.334 13.891 ( -1.783 0.000 0.000) 1.783 14.129 ( -1.912 0.000 0.000) 1.912 14.247 ( -5.612 0.000 0.000) 5.612 14.265 ( 3.862 0.000 0.000) 3.862 14.465 ( -5.427 0.000 0.000) 5.427 14.856 ( 1.814 0.000 0.000) 1.814 14.983 ( -6.420 0.000 0.000) 6.420 15.287 ( 4.196 0.000 0.000) 4.196 15.598 ( -11.708 0.000 0.000) 11.708 16.304 ( 2.664 0.000 0.000) 2.664 16.341 ( -0.796 0.000 0.000) 0.796 16.654 ( 9.571 0.000 0.000) 9.571 17.006 ( -7.625 0.000 0.000) 7.625 17.488 ( 2.829 0.000 0.000) 2.829 17.524 ( 5.033 0.000 0.000) 5.033 17.581 ( 6.563 0.000 0.000) 6.563 17.802 ( 0.007 0.000 0.000) 0.007 17.845 ( 7.018 0.000 0.000) 7.018 18.157 ( -7.972 0.000 0.000) 7.972 18.664 ( -2.610 0.000 0.000) 2.610 18.664 ( -2.589 0.000 0.000) 2.589 18.764 ( 7.120 0.000 0.000) 7.120 18.941 ( 0.925 0.000 0.000) 0.925 18.956 ( 2.566 0.000 0.000) 2.566 19.287 ( -12.269 0.000 0.000) 12.269 19.471 ( 1.660 0.000 0.000) 1.660 19.521 ( -3.845 0.000 0.000) 3.845 20.389 ( 8.922 0.000 0.000) 8.922 20.606 ( 4.125 0.000 0.000) 4.125 20.640 ( -2.231 0.000 0.000) 2.231 20.734 ( -4.732 0.000 0.000) 4.732 20.823 ( 4.851 0.000 0.000) 4.851 21.075 ( -8.483 0.000 0.000) 8.483 21.540 ( 4.297 0.000 0.000) 4.297 21.694 ( -3.422 0.000 0.000) 3.422 21.943 ( 3.154 0.000 0.000) 3.154 22.155 ( -7.314 0.000 0.000) 7.314 ======================= Grid point 5 (6/72) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( -0.171 0.000 0.000) 0.171 1.928 ( 0.171 0.000 0.000) 0.171 2.459 ( -9.077 0.000 0.000) 9.077 2.459 ( 9.077 0.000 0.000) 9.077 2.570 ( -2.761 0.000 0.000) 2.761 2.570 ( 2.761 0.000 0.000) 2.761 2.687 ( -4.295 0.000 0.000) 4.295 2.687 ( 4.295 0.000 0.000) 4.295 2.798 ( -1.761 0.000 0.000) 1.761 2.798 ( 1.761 0.000 0.000) 1.761 3.013 ( -5.971 0.000 0.000) 5.971 3.013 ( 5.971 0.000 0.000) 5.971 3.198 ( -4.704 0.000 0.000) 4.704 3.198 ( 4.704 0.000 0.000) 4.704 3.423 ( -2.284 0.000 0.000) 2.284 3.423 ( 2.284 0.000 0.000) 2.284 3.535 ( -6.123 0.000 0.000) 6.123 3.535 ( 6.123 0.000 0.000) 6.123 3.976 ( -4.677 0.000 0.000) 4.677 3.976 ( 4.677 0.000 0.000) 4.677 4.376 ( -6.691 0.000 0.000) 6.691 4.376 ( 6.691 0.000 0.000) 6.691 4.485 ( -1.071 0.000 0.000) 1.071 4.485 ( 1.071 0.000 0.000) 1.071 4.596 ( -19.452 0.000 0.000) 19.452 4.596 ( 19.452 0.000 0.000) 19.452 5.100 ( -1.420 0.000 0.000) 1.420 5.100 ( 1.420 0.000 0.000) 1.420 5.246 ( -4.371 0.000 0.000) 4.371 5.246 ( 4.371 0.000 0.000) 4.371 5.556 ( -5.469 0.000 0.000) 5.469 5.556 ( 5.469 0.000 0.000) 5.469 5.725 ( -6.020 0.000 0.000) 6.020 5.725 ( 6.020 0.000 0.000) 6.020 6.113 ( -1.165 0.000 0.000) 1.165 6.113 ( 1.165 0.000 0.000) 1.165 6.236 ( -3.267 0.000 0.000) 3.267 6.236 ( 3.267 0.000 0.000) 3.267 6.399 ( -0.495 0.000 0.000) 0.495 6.399 ( 0.495 0.000 0.000) 0.495 7.347 ( -0.474 0.000 0.000) 0.474 7.347 ( 0.474 0.000 0.000) 0.474 7.587 ( -1.308 0.000 0.000) 1.308 7.587 ( 1.308 0.000 0.000) 1.308 7.858 ( -1.073 0.000 0.000) 1.073 7.858 ( 1.073 0.000 0.000) 1.073 8.065 ( -1.972 0.000 0.000) 1.972 8.065 ( 1.972 0.000 0.000) 1.972 8.394 ( -6.351 0.000 0.000) 6.351 8.394 ( 6.351 0.000 0.000) 6.351 8.947 ( -1.177 0.000 0.000) 1.177 8.947 ( 1.177 0.000 0.000) 1.177 9.475 ( -1.036 0.000 0.000) 1.036 9.475 ( 1.036 0.000 0.000) 1.036 9.672 ( -3.988 0.000 0.000) 3.988 9.672 ( 3.988 0.000 0.000) 3.988 10.313 ( -1.898 0.000 0.000) 1.898 10.313 ( 1.898 0.000 0.000) 1.898 10.592 ( -1.650 0.000 0.000) 1.650 10.592 ( 1.650 0.000 0.000) 1.650 11.147 ( -0.004 0.000 0.000) 0.004 11.147 ( 0.004 0.000 0.000) 0.004 11.733 ( -2.077 0.000 0.000) 2.077 11.733 ( 2.077 0.000 0.000) 2.077 12.370 ( -4.028 0.000 0.000) 4.028 12.370 ( 4.028 0.000 0.000) 4.028 12.675 ( -8.138 0.000 0.000) 8.138 12.675 ( 8.138 0.000 0.000) 8.138 12.957 ( -3.372 0.000 0.000) 3.372 12.957 ( 3.372 0.000 0.000) 3.372 13.856 ( -2.492 0.000 0.000) 2.492 13.856 ( 2.492 0.000 0.000) 2.492 14.149 ( -3.888 0.000 0.000) 3.888 14.149 ( 3.888 0.000 0.000) 3.888 14.356 ( -5.654 0.000 0.000) 5.654 14.356 ( 5.654 0.000 0.000) 5.654 14.898 ( -2.849 0.000 0.000) 2.849 14.898 ( 2.849 0.000 0.000) 2.849 15.406 ( -8.307 0.000 0.000) 8.307 15.406 ( 8.307 0.000 0.000) 8.307 16.332 ( -0.559 0.000 0.000) 0.559 16.332 ( 0.559 0.000 0.000) 0.559 16.839 ( -9.558 0.000 0.000) 9.558 16.839 ( 9.558 0.000 0.000) 9.558 17.536 ( -1.611 0.000 0.000) 1.611 17.536 ( 1.611 0.000 0.000) 1.611 17.731 ( -6.830 0.000 0.000) 6.830 17.731 ( 6.830 0.000 0.000) 6.830 17.999 ( -8.487 0.000 0.000) 8.487 17.999 ( 8.487 0.000 0.000) 8.487 18.634 ( -0.101 0.000 0.000) 0.101 18.634 ( 0.101 0.000 0.000) 0.101 18.914 ( -5.147 0.000 0.000) 5.147 18.914 ( 5.147 0.000 0.000) 5.147 19.050 ( -9.331 0.000 0.000) 9.331 19.050 ( 9.331 0.000 0.000) 9.331 19.493 ( -0.775 0.000 0.000) 0.775 19.493 ( 0.775 0.000 0.000) 0.775 20.548 ( -7.367 0.000 0.000) 7.367 20.548 ( 7.367 0.000 0.000) 7.367 20.666 ( -2.607 0.000 0.000) 2.607 20.666 ( 2.607 0.000 0.000) 2.607 20.930 ( -6.554 0.000 0.000) 6.554 20.930 ( 6.554 0.000 0.000) 6.554 21.622 ( -4.113 0.000 0.000) 4.113 21.622 ( 4.113 0.000 0.000) 4.113 22.028 ( -5.769 0.000 0.000) 5.769 22.028 ( 5.769 0.000 0.000) 5.769 ======================= Grid point 11 (7/72) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.517 ( 0.000 27.611 0.000) 27.611 0.571 ( 0.000 30.417 0.000) 30.417 0.996 ( 0.000 52.776 0.000) 52.776 2.113 ( 0.000 -11.536 0.000) 11.536 2.264 ( 0.000 6.345 0.000) 6.345 2.423 ( 0.000 -14.999 0.000) 14.999 2.537 ( 0.000 3.819 0.000) 3.819 2.691 ( 0.000 -1.129 0.000) 1.129 2.894 ( 0.000 -2.851 0.000) 2.851 2.936 ( 0.000 3.540 0.000) 3.540 3.111 ( 0.000 -1.960 0.000) 1.960 3.191 ( 0.000 -1.545 0.000) 1.545 3.293 ( 0.000 -5.882 0.000) 5.882 3.331 ( 0.000 11.281 0.000) 11.281 3.413 ( 0.000 3.138 0.000) 3.138 3.496 ( 0.000 -4.750 0.000) 4.750 3.597 ( 0.000 -0.278 0.000) 0.278 3.795 ( 0.000 1.726 0.000) 1.726 3.950 ( 0.000 1.870 0.000) 1.870 3.991 ( 0.000 -9.843 0.000) 9.843 4.241 ( 0.000 0.444 0.000) 0.444 4.398 ( 0.000 -12.633 0.000) 12.633 4.499 ( 0.000 0.263 0.000) 0.263 4.557 ( 0.000 -6.584 0.000) 6.584 4.775 ( 0.000 2.943 0.000) 2.943 5.013 ( 0.000 5.983 0.000) 5.983 5.106 ( 0.000 2.254 0.000) 2.254 5.143 ( 0.000 2.435 0.000) 2.435 5.215 ( 0.000 3.011 0.000) 3.011 5.471 ( 0.000 1.379 0.000) 1.379 5.483 ( 0.000 -2.266 0.000) 2.266 5.548 ( 0.000 2.000 0.000) 2.000 5.707 ( 0.000 -4.397 0.000) 4.397 5.732 ( 0.000 10.308 0.000) 10.308 5.888 ( 0.000 -3.356 0.000) 3.356 6.052 ( 0.000 -3.262 0.000) 3.262 6.117 ( 0.000 1.582 0.000) 1.582 6.119 ( 0.000 -0.423 0.000) 0.423 6.300 ( 0.000 -2.981 0.000) 2.981 6.414 ( 0.000 -1.235 0.000) 1.235 7.300 ( 0.000 2.860 0.000) 2.860 7.384 ( 0.000 -1.009 0.000) 1.009 7.700 ( 0.000 -1.845 0.000) 1.845 7.707 ( 0.000 2.279 0.000) 2.279 7.813 ( 0.000 0.036 0.000) 0.036 7.991 ( 0.000 1.862 0.000) 1.862 8.009 ( 0.000 -2.040 0.000) 2.040 8.250 ( 0.000 1.472 0.000) 1.472 8.556 ( 0.000 -8.743 0.000) 8.743 8.894 ( 0.000 7.504 0.000) 7.504 9.017 ( 0.000 -7.032 0.000) 7.032 9.137 ( 0.000 -0.985 0.000) 0.985 9.567 ( 0.000 -0.433 0.000) 0.433 9.603 ( 0.000 -1.694 0.000) 1.694 9.643 ( 0.000 0.151 0.000) 0.151 9.742 ( 0.000 -0.954 0.000) 0.954 9.946 ( 0.000 -1.408 0.000) 1.408 10.081 ( 0.000 3.559 0.000) 3.559 10.128 ( 0.000 -0.316 0.000) 0.316 10.254 ( 0.000 -1.793 0.000) 1.793 10.765 ( 0.000 5.420 0.000) 5.420 10.862 ( 0.000 3.472 0.000) 3.472 11.128 ( 0.000 -4.188 0.000) 4.188 11.352 ( 0.000 -1.974 0.000) 1.974 12.052 ( 0.000 0.681 0.000) 0.681 12.279 ( 0.000 -1.472 0.000) 1.472 12.548 ( 0.000 -0.273 0.000) 0.273 12.594 ( 0.000 -1.292 0.000) 1.292 12.757 ( 0.000 5.157 0.000) 5.157 13.285 ( 0.000 -4.523 0.000) 4.523 13.737 ( 0.000 5.305 0.000) 5.305 13.978 ( 0.000 3.955 0.000) 3.955 14.240 ( 0.000 -5.073 0.000) 5.073 14.422 ( 0.000 -2.690 0.000) 2.690 14.790 ( 0.000 0.237 0.000) 0.237 14.880 ( 0.000 0.192 0.000) 0.192 14.897 ( 0.000 4.851 0.000) 4.851 15.217 ( 0.000 -1.553 0.000) 1.553 15.687 ( 0.000 2.787 0.000) 2.787 15.917 ( 0.000 0.407 0.000) 0.407 16.254 ( 0.000 -2.592 0.000) 2.592 16.265 ( 0.000 -2.445 0.000) 2.445 16.508 ( 0.000 -4.759 0.000) 4.759 16.678 ( 0.000 -2.692 0.000) 2.692 16.943 ( 0.000 6.411 0.000) 6.411 17.083 ( 0.000 0.846 0.000) 0.846 17.490 ( 0.000 -1.750 0.000) 1.750 17.656 ( 0.000 -7.271 0.000) 7.271 17.776 ( 0.000 3.535 0.000) 3.535 18.305 ( 0.000 5.698 0.000) 5.698 18.308 ( 0.000 -6.729 0.000) 6.729 18.586 ( 0.000 8.722 0.000) 8.722 18.935 ( 0.000 -2.757 0.000) 2.757 19.003 ( 0.000 -0.932 0.000) 0.932 19.080 ( 0.000 1.163 0.000) 1.163 19.166 ( 0.000 -0.718 0.000) 0.718 19.476 ( 0.000 2.247 0.000) 2.247 19.879 ( 0.000 -3.291 0.000) 3.291 20.133 ( 0.000 0.013 0.000) 0.013 20.423 ( 0.000 9.580 0.000) 9.580 20.503 ( 0.000 -4.603 0.000) 4.603 20.864 ( 0.000 0.015 0.000) 0.015 21.193 ( 0.000 0.641 0.000) 0.641 21.282 ( 0.000 -0.780 0.000) 0.780 21.481 ( 0.000 1.598 0.000) 1.598 21.684 ( 0.000 -1.811 0.000) 1.811 22.135 ( 0.000 1.198 0.000) 1.198 22.398 ( 0.000 -3.254 0.000) 3.254 ======================= Grid point 12 (8/72) ======================= q-point: ( 0.10 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( 19.720 17.084 0.000) 26.091 0.776 ( 20.964 19.980 0.000) 28.960 1.455 ( 37.342 33.218 0.000) 49.979 2.128 ( 1.799 -10.375 0.000) 10.530 2.344 ( 6.625 3.816 0.000) 7.646 2.479 ( 3.592 -8.480 0.000) 9.210 2.522 ( 0.349 -0.437 0.000) 0.559 2.735 ( 4.132 -0.860 0.000) 4.220 2.913 ( 1.262 -0.751 0.000) 1.469 2.950 ( 2.177 -0.398 0.000) 2.213 3.069 ( -3.888 -0.980 0.000) 4.010 3.185 ( -0.285 0.198 0.000) 0.347 3.257 ( -3.228 -5.269 0.000) 6.179 3.339 ( 0.595 9.608 0.000) 9.627 3.422 ( 0.081 2.676 0.000) 2.677 3.481 ( -0.890 -5.661 0.000) 5.731 3.565 ( -3.222 1.380 0.000) 3.505 3.752 ( -4.352 1.141 0.000) 4.499 3.953 ( -0.671 -1.233 0.000) 1.404 3.980 ( -1.784 -6.872 0.000) 7.099 4.151 ( -7.772 -1.698 0.000) 7.956 4.417 ( 0.930 -4.880 0.000) 4.968 4.488 ( -0.290 -3.828 0.000) 3.838 4.561 ( -0.390 -6.648 0.000) 6.659 4.751 ( -2.256 0.396 0.000) 2.290 4.934 ( -6.970 10.507 0.000) 12.609 5.078 ( -2.153 4.549 0.000) 5.033 5.193 ( 4.933 3.757 0.000) 6.201 5.219 ( 0.384 2.477 0.000) 2.506 5.372 ( -5.157 2.987 0.000) 5.959 5.417 ( -4.088 6.084 0.000) 7.330 5.586 ( 5.605 -1.758 0.000) 5.875 5.718 ( 2.446 0.191 0.000) 2.454 5.822 ( 5.963 1.519 0.000) 6.154 5.887 ( -1.271 -0.756 0.000) 1.479 6.059 ( -1.130 1.201 0.000) 1.649 6.098 ( -0.467 -0.120 0.000) 0.482 6.111 ( 2.245 -1.534 0.000) 2.720 6.272 ( 0.071 -0.565 0.000) 0.569 6.555 ( 2.183 -11.932 0.000) 12.130 7.262 ( -2.137 1.392 0.000) 2.550 7.430 ( 2.973 -0.271 0.000) 2.986 7.653 ( -4.517 -0.570 0.000) 4.553 7.699 ( -0.708 1.576 0.000) 1.728 7.818 ( 0.449 -0.214 0.000) 0.498 7.930 ( -3.216 3.209 0.000) 4.544 8.043 ( 2.123 -1.646 0.000) 2.686 8.326 ( 5.359 0.013 0.000) 5.359 8.497 ( -5.368 -7.855 0.000) 9.514 8.789 ( -8.536 6.124 0.000) 10.505 8.971 ( -3.068 -8.491 0.000) 9.028 9.131 ( -1.045 -4.112 0.000) 4.242 9.461 ( -0.417 -0.037 0.000) 0.419 9.649 ( -1.873 -1.484 0.000) 2.389 9.676 ( 3.242 3.260 0.000) 4.598 9.754 ( -2.078 1.628 0.000) 2.639 10.015 ( 6.502 -1.186 0.000) 6.609 10.065 ( -1.070 2.593 0.000) 2.805 10.195 ( 4.579 1.427 0.000) 4.797 10.362 ( 7.616 -6.610 0.000) 10.085 10.787 ( 2.521 10.600 0.000) 10.895 10.827 ( 5.863 5.133 0.000) 7.793 11.365 ( 6.583 -5.482 0.000) 8.567 11.461 ( 12.231 -10.564 0.000) 16.162 12.064 ( 1.333 0.447 0.000) 1.406 12.278 ( 0.362 -2.012 0.000) 2.044 12.530 ( -0.807 2.516 0.000) 2.642 12.626 ( 1.450 -2.489 0.000) 2.880 12.744 ( 0.773 8.095 0.000) 8.132 13.360 ( 4.190 -9.498 0.000) 10.381 13.679 ( -4.881 3.254 0.000) 5.866 13.967 ( -1.790 1.026 0.000) 2.064 14.186 ( -5.533 -0.587 0.000) 5.564 14.358 ( -3.462 0.650 0.000) 3.522 14.533 ( -7.252 11.448 0.000) 13.551 14.779 ( -4.816 1.402 0.000) 5.016 15.020 ( -1.977 -2.533 0.000) 3.213 15.204 ( -1.088 -2.029 0.000) 2.302 15.566 ( -10.379 7.028 0.000) 12.535 15.927 ( 7.412 2.890 0.000) 7.956 16.203 ( 2.484 -4.312 0.000) 4.977 16.310 ( -8.432 -4.776 0.000) 9.690 16.522 ( -1.143 -2.365 0.000) 2.627 16.783 ( 7.727 -6.025 0.000) 9.798 17.096 ( 2.887 3.354 0.000) 4.426 17.189 ( 13.179 -8.597 0.000) 15.735 17.487 ( 0.688 -1.638 0.000) 1.776 17.692 ( 1.110 -2.655 0.000) 2.878 17.793 ( 1.036 4.493 0.000) 4.611 18.318 ( 1.303 1.947 0.000) 2.343 18.365 ( 4.920 -4.402 0.000) 6.602 18.610 ( 2.749 7.031 0.000) 7.549 18.850 ( -5.371 0.720 0.000) 5.419 18.942 ( -2.872 0.421 0.000) 2.903 19.043 ( -0.202 -3.287 0.000) 3.293 19.283 ( 2.890 -7.704 0.000) 8.228 19.487 ( 1.074 4.105 0.000) 4.243 19.877 ( 1.739 -1.972 0.000) 2.630 20.143 ( -1.665 -2.726 0.000) 3.194 20.428 ( 0.254 8.284 0.000) 8.288 20.521 ( 2.352 -4.573 0.000) 5.142 20.817 ( -2.861 4.895 0.000) 5.670 21.048 ( -7.212 5.288 0.000) 8.943 21.359 ( 0.698 -6.794 0.000) 6.830 21.492 ( 0.064 1.147 0.000) 1.149 21.686 ( 0.853 -2.450 0.000) 2.594 22.009 ( -4.667 8.860 0.000) 10.014 22.467 ( -0.018 -7.057 0.000) 7.057 ======================= Grid point 13 (9/72) ======================= q-point: ( 0.20 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( 26.076 5.304 0.000) 26.610 1.217 ( 23.859 11.992 0.000) 26.703 2.130 ( 17.057 -0.622 0.000) 17.068 2.222 ( 18.785 3.136 0.000) 19.045 2.382 ( -5.410 -1.452 0.000) 5.601 2.555 ( 11.290 7.376 0.000) 13.486 2.615 ( 5.648 -8.598 0.000) 10.287 2.806 ( 2.096 -0.192 0.000) 2.104 2.942 ( -0.572 -1.851 0.000) 1.937 2.971 ( -0.067 0.148 0.000) 0.163 3.034 ( 2.637 -1.351 0.000) 2.964 3.170 ( -5.187 -2.813 0.000) 5.901 3.193 ( 0.958 1.206 0.000) 1.540 3.324 ( -2.704 2.798 0.000) 3.891 3.391 ( -2.104 3.499 0.000) 4.083 3.461 ( -5.839 3.694 0.000) 6.909 3.532 ( 4.046 -1.211 0.000) 4.224 3.637 ( -7.298 1.325 0.000) 7.418 3.910 ( -5.917 -3.265 0.000) 6.758 3.918 ( -2.806 -1.529 0.000) 3.196 4.008 ( -5.349 -3.036 0.000) 6.150 4.403 ( -2.696 2.232 0.000) 3.500 4.489 ( 0.354 -8.616 0.000) 8.624 4.548 ( -0.697 -2.273 0.000) 2.377 4.709 ( -1.089 -3.250 0.000) 3.428 4.801 ( -5.937 8.370 0.000) 10.262 5.107 ( 2.555 6.814 0.000) 7.278 5.198 ( -1.093 1.333 0.000) 1.724 5.228 ( -0.967 4.051 0.000) 4.164 5.341 ( 0.191 4.093 0.000) 4.098 5.390 ( 1.201 3.669 0.000) 3.861 5.664 ( 2.157 -0.248 0.000) 2.171 5.765 ( 0.569 1.408 0.000) 1.519 5.853 ( -0.463 -1.034 0.000) 1.133 5.942 ( 6.096 -0.331 0.000) 6.105 6.075 ( 0.754 -0.529 0.000) 0.921 6.110 ( 3.930 -1.598 0.000) 4.242 6.149 ( 1.296 -3.620 0.000) 3.845 6.280 ( 0.654 -0.666 0.000) 0.933 6.502 ( -5.930 -7.280 0.000) 9.390 7.246 ( 0.637 0.276 0.000) 0.695 7.469 ( 0.707 -1.529 0.000) 1.685 7.561 ( -3.762 3.186 0.000) 4.930 7.695 ( 0.468 0.456 0.000) 0.654 7.807 ( -1.981 -0.433 0.000) 2.028 7.894 ( -1.035 4.007 0.000) 4.139 8.087 ( 2.434 -1.817 0.000) 3.038 8.369 ( -3.076 0.765 0.000) 3.170 8.390 ( -4.687 -7.330 0.000) 8.700 8.641 ( -5.496 3.871 0.000) 6.722 8.926 ( -1.754 -11.504 0.000) 11.637 9.070 ( -4.853 -5.898 0.000) 7.637 9.485 ( 2.043 -0.172 0.000) 2.051 9.605 ( -2.796 1.381 0.000) 3.119 9.688 ( -1.430 3.197 0.000) 3.502 9.740 ( 0.599 6.023 0.000) 6.053 10.077 ( 2.825 1.704 0.000) 3.299 10.148 ( 6.684 -0.683 0.000) 6.719 10.300 ( 6.434 0.128 0.000) 6.435 10.473 ( 4.438 -4.954 0.000) 6.651 10.925 ( 9.394 8.105 0.000) 12.407 10.958 ( 7.137 4.618 0.000) 8.500 11.479 ( 6.065 -2.368 0.000) 6.511 11.637 ( 6.432 -6.350 0.000) 9.038 12.108 ( 3.379 0.191 0.000) 3.384 12.300 ( 2.038 -2.658 0.000) 3.349 12.536 ( 1.804 3.124 0.000) 3.608 12.620 ( -1.498 0.034 0.000) 1.498 12.815 ( 5.826 6.198 0.000) 8.506 13.361 ( -5.112 -2.502 0.000) 5.691 13.597 ( -2.380 -2.429 0.000) 3.400 13.896 ( -4.448 -7.171 0.000) 8.438 14.150 ( 1.896 2.522 0.000) 3.156 14.323 ( -1.843 2.219 0.000) 2.885 14.443 ( -3.930 5.152 0.000) 6.480 14.674 ( -5.727 0.614 0.000) 5.760 14.929 ( -5.659 1.066 0.000) 5.758 15.177 ( -1.958 -3.437 0.000) 3.955 15.393 ( -7.824 7.429 0.000) 10.790 16.031 ( -5.047 -4.411 0.000) 6.703 16.132 ( -0.687 -0.102 0.000) 0.695 16.292 ( 5.102 -3.374 0.000) 6.117 16.475 ( -2.288 1.988 0.000) 3.031 16.932 ( 7.144 -9.117 0.000) 11.583 17.188 ( 7.004 3.560 0.000) 7.857 17.366 ( 6.743 -3.795 0.000) 7.737 17.526 ( 2.900 -0.234 0.000) 2.909 17.659 ( -3.569 2.514 0.000) 4.366 17.821 ( 2.478 7.153 0.000) 7.570 18.333 ( -0.370 0.299 0.000) 0.475 18.465 ( 5.024 -4.909 0.000) 7.024 18.674 ( 2.988 2.443 0.000) 3.859 18.802 ( -0.580 -3.310 0.000) 3.361 18.875 ( -3.666 -0.949 0.000) 3.787 19.027 ( -1.803 -1.464 0.000) 2.323 19.285 ( -1.303 -9.262 0.000) 9.353 19.502 ( 0.358 6.542 0.000) 6.552 19.977 ( 7.687 -2.508 0.000) 8.086 20.036 ( -8.728 1.184 0.000) 8.808 20.442 ( 1.681 3.363 0.000) 3.760 20.586 ( 3.851 -3.629 0.000) 5.292 20.781 ( -1.121 6.023 0.000) 6.127 20.939 ( -4.418 3.474 0.000) 5.620 21.313 ( -5.097 -6.342 0.000) 8.137 21.482 ( -0.123 2.463 0.000) 2.466 21.713 ( 1.405 -3.419 0.000) 3.697 21.965 ( -1.178 6.978 0.000) 7.077 22.401 ( -5.755 -4.165 0.000) 7.104 ======================= Grid point 14 (10/72) ======================= q-point: ( 0.30 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( 20.006 8.504 0.000) 21.738 1.682 ( 24.824 0.446 0.000) 24.828 2.174 ( -6.868 -1.598 0.000) 7.052 2.294 ( 2.191 -3.211 0.000) 3.888 2.502 ( 4.619 -6.461 0.000) 7.943 2.688 ( 3.230 -5.643 0.000) 6.502 2.820 ( 0.492 -1.824 0.000) 1.889 2.845 ( -4.808 -1.647 0.000) 5.082 2.879 ( 9.067 6.032 0.000) 10.891 2.936 ( -9.344 1.392 0.000) 9.447 3.042 ( -1.283 -0.600 0.000) 1.416 3.151 ( 1.204 -1.543 0.000) 1.957 3.249 ( -3.629 0.654 0.000) 3.687 3.289 ( 6.549 4.433 0.000) 7.909 3.352 ( -0.628 4.729 0.000) 4.771 3.362 ( -0.107 4.844 0.000) 4.845 3.488 ( -4.590 -0.456 0.000) 4.613 3.653 ( 5.582 1.090 0.000) 5.688 3.797 ( -3.309 -2.518 0.000) 4.158 3.884 ( 0.895 1.612 0.000) 1.844 3.953 ( -1.049 -3.069 0.000) 3.244 4.344 ( -2.361 -0.171 0.000) 2.367 4.496 ( 0.396 -1.964 0.000) 2.003 4.541 ( -0.037 1.404 0.000) 1.405 4.684 ( -5.002 8.005 0.000) 9.439 4.740 ( 1.769 -10.798 0.000) 10.942 5.079 ( -3.240 1.372 0.000) 3.518 5.191 ( -2.616 4.952 0.000) 5.601 5.261 ( 4.817 8.438 0.000) 9.716 5.331 ( -0.785 -0.949 0.000) 1.231 5.438 ( 3.097 4.495 0.000) 5.458 5.663 ( -1.894 1.877 0.000) 2.666 5.737 ( -1.998 1.797 0.000) 2.688 5.852 ( -1.191 -2.346 0.000) 2.631 6.052 ( 5.188 -1.459 0.000) 5.389 6.091 ( 0.886 -0.864 0.000) 1.238 6.148 ( 0.016 -3.367 0.000) 3.367 6.228 ( 5.998 -3.705 0.000) 7.050 6.301 ( 1.465 -2.020 0.000) 2.495 6.378 ( -5.998 -3.374 0.000) 6.882 7.279 ( 2.424 -0.294 0.000) 2.442 7.450 ( -1.627 2.135 0.000) 2.685 7.544 ( 1.146 1.973 0.000) 2.282 7.708 ( -0.407 0.445 0.000) 0.603 7.754 ( -2.050 -1.069 0.000) 2.312 7.868 ( -1.677 2.431 0.000) 2.953 8.124 ( 0.493 -3.720 0.000) 3.753 8.258 ( -8.843 -3.403 0.000) 9.476 8.292 ( -2.431 1.324 0.000) 2.768 8.581 ( -2.298 1.404 0.000) 2.693 8.898 ( -1.327 -10.187 0.000) 10.273 8.978 ( -4.174 -6.128 0.000) 7.415 9.529 ( 1.988 1.103 0.000) 2.274 9.555 ( -1.356 3.854 0.000) 4.085 9.648 ( -3.145 5.024 0.000) 5.927 9.753 ( 0.929 4.504 0.000) 4.599 10.155 ( 4.728 -0.072 0.000) 4.729 10.254 ( 4.278 -0.953 0.000) 4.383 10.425 ( 6.223 -1.028 0.000) 6.308 10.543 ( 2.975 -3.216 0.000) 4.381 11.079 ( 5.381 4.509 0.000) 7.020 11.083 ( 6.428 5.974 0.000) 8.776 11.586 ( 4.929 -1.966 0.000) 5.307 11.720 ( 2.362 -3.355 0.000) 4.103 12.192 ( 5.151 0.386 0.000) 5.166 12.358 ( 3.899 -2.337 0.000) 4.545 12.558 ( -1.527 1.076 0.000) 1.868 12.636 ( 5.288 2.327 0.000) 5.777 12.930 ( 5.390 4.478 0.000) 7.007 13.191 ( -10.700 3.561 0.000) 11.277 13.606 ( 2.707 -7.224 0.000) 7.715 13.830 ( -2.559 -9.437 0.000) 9.778 14.204 ( 2.485 0.754 0.000) 2.597 14.263 ( -3.763 4.990 0.000) 6.250 14.379 ( -2.841 3.436 0.000) 4.458 14.571 ( -5.159 0.627 0.000) 5.197 14.856 ( -1.392 1.590 0.000) 2.113 15.112 ( -5.282 -2.306 0.000) 5.764 15.280 ( -3.292 4.430 0.000) 5.519 15.802 ( -13.392 -4.428 0.000) 14.105 16.228 ( 5.463 0.283 0.000) 5.471 16.348 ( 0.271 -2.631 0.000) 2.645 16.505 ( 6.051 2.743 0.000) 6.643 17.014 ( 0.793 -8.030 0.000) 8.070 17.353 ( 9.509 1.742 0.000) 9.667 17.477 ( 5.323 -1.054 0.000) 5.426 17.542 ( -1.973 5.186 0.000) 5.548 17.642 ( 3.121 -2.873 0.000) 4.242 17.893 ( 4.844 8.550 0.000) 9.827 18.288 ( -4.303 0.100 0.000) 4.305 18.547 ( 3.530 -6.619 0.000) 7.501 18.694 ( -0.741 0.524 0.000) 0.908 18.808 ( 1.036 -8.050 0.000) 8.117 18.831 ( -0.966 4.085 0.000) 4.198 18.980 ( -2.394 1.534 0.000) 2.844 19.247 ( -3.190 -11.610 0.000) 12.040 19.515 ( 1.272 6.802 0.000) 6.920 19.833 ( -10.472 8.874 0.000) 13.726 20.146 ( 8.554 -5.886 0.000) 10.383 20.487 ( 2.417 -2.641 0.000) 3.580 20.654 ( 3.170 -1.549 0.000) 3.528 20.768 ( -0.304 4.838 0.000) 4.848 20.875 ( -2.373 3.574 0.000) 4.290 21.184 ( -7.867 -5.500 0.000) 9.599 21.504 ( 2.458 3.037 0.000) 3.907 21.725 ( -0.305 -2.009 0.000) 2.032 21.947 ( -0.650 4.196 0.000) 4.246 22.275 ( -7.092 -2.571 0.000) 7.543 ======================= Grid point 15 (11/72) ======================= q-point: ( 0.40 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( 8.416 5.674 0.000) 10.150 2.015 ( -5.183 2.329 0.000) 5.682 2.129 ( 19.905 -0.792 0.000) 19.921 2.386 ( 5.308 -4.366 0.000) 6.873 2.533 ( 0.462 -4.160 0.000) 4.186 2.697 ( -3.356 -1.608 0.000) 3.721 2.718 ( -7.248 1.960 0.000) 7.508 2.758 ( -3.065 -1.288 0.000) 3.325 2.860 ( -1.083 1.608 0.000) 1.939 2.912 ( -2.240 1.497 0.000) 2.694 2.967 ( -3.785 1.407 0.000) 4.038 3.105 ( -3.037 0.114 0.000) 3.039 3.150 ( -7.142 0.866 0.000) 7.195 3.241 ( -5.152 -3.789 0.000) 6.395 3.373 ( 4.223 -0.731 0.000) 4.286 3.419 ( 2.981 1.629 0.000) 3.397 3.569 ( 1.628 5.794 0.000) 6.018 3.637 ( -5.194 -0.629 0.000) 5.232 3.838 ( 5.671 -1.392 0.000) 5.839 3.956 ( 0.503 -4.790 0.000) 4.816 4.117 ( 22.172 3.183 0.000) 22.399 4.335 ( 1.559 -1.078 0.000) 1.896 4.493 ( -1.393 0.283 0.000) 1.422 4.535 ( -0.798 4.209 0.000) 4.284 4.581 ( -4.490 6.305 0.000) 7.741 4.754 ( -2.818 -9.063 0.000) 9.491 5.039 ( -0.049 -0.954 0.000) 0.956 5.142 ( -2.681 2.190 0.000) 3.461 5.297 ( -1.911 2.364 0.000) 3.040 5.303 ( -1.469 4.124 0.000) 4.378 5.516 ( 5.227 4.175 0.000) 6.690 5.645 ( 1.048 2.281 0.000) 2.511 5.698 ( -2.306 4.116 0.000) 4.718 5.799 ( -3.999 -2.709 0.000) 4.830 6.099 ( 0.567 -0.090 0.000) 0.574 6.132 ( 0.300 -1.654 0.000) 1.681 6.147 ( 2.465 -1.754 0.000) 3.025 6.269 ( -3.597 -3.193 0.000) 4.810 6.323 ( 3.554 -3.921 0.000) 5.292 6.351 ( 1.634 -3.028 0.000) 3.441 7.327 ( 2.543 0.742 0.000) 2.649 7.420 ( -1.916 4.699 0.000) 5.074 7.577 ( 1.897 1.037 0.000) 2.162 7.649 ( -3.543 1.662 0.000) 3.914 7.771 ( 2.171 -3.668 0.000) 4.262 7.846 ( -0.474 -0.327 0.000) 0.576 8.076 ( -4.500 -3.449 0.000) 5.670 8.106 ( -6.127 -4.358 0.000) 7.518 8.317 ( 4.316 3.305 0.000) 5.436 8.519 ( -4.404 1.542 0.000) 4.666 8.878 ( -0.513 -7.305 0.000) 7.323 8.917 ( -2.401 -6.209 0.000) 6.657 9.518 ( -0.594 4.246 0.000) 4.287 9.571 ( -2.363 4.894 0.000) 5.434 9.620 ( 3.553 3.429 0.000) 4.938 9.754 ( -1.258 3.077 0.000) 3.324 10.240 ( 3.933 -1.271 0.000) 4.133 10.306 ( 1.091 -1.508 0.000) 1.861 10.525 ( 4.130 -1.207 0.000) 4.303 10.583 ( 1.067 -2.015 0.000) 2.280 11.156 ( 2.764 4.108 0.000) 4.951 11.166 ( 2.489 4.913 0.000) 5.508 11.662 ( 3.127 -2.124 0.000) 3.780 11.735 ( -0.526 -2.727 0.000) 2.777 12.291 ( 5.028 0.765 0.000) 5.086 12.418 ( 0.585 -1.073 0.000) 1.222 12.549 ( 2.758 0.854 0.000) 2.887 12.735 ( 1.895 -1.406 0.000) 2.359 12.977 ( -0.950 4.286 0.000) 4.390 13.046 ( -2.054 6.219 0.000) 6.550 13.678 ( 4.226 -9.169 0.000) 10.096 13.789 ( -1.946 -9.448 0.000) 9.646 14.190 ( -1.376 4.388 0.000) 4.598 14.251 ( -0.166 1.715 0.000) 1.723 14.334 ( -0.779 5.044 0.000) 5.104 14.474 ( -5.021 0.849 0.000) 5.092 14.867 ( 1.821 1.211 0.000) 2.187 14.996 ( -5.823 1.090 0.000) 5.924 15.275 ( 2.634 -0.845 0.000) 2.767 15.562 ( -11.425 -3.726 0.000) 12.017 16.307 ( 2.802 0.291 0.000) 2.817 16.346 ( -0.048 0.353 0.000) 0.356 16.655 ( 8.866 0.241 0.000) 8.869 16.964 ( -5.543 -4.516 0.000) 7.149 17.475 ( 2.384 0.798 0.000) 2.514 17.512 ( -0.241 -1.817 0.000) 1.833 17.609 ( 7.942 0.975 0.000) 8.002 17.713 ( 3.135 -2.544 0.000) 4.037 17.987 ( 4.662 8.911 0.000) 10.057 18.186 ( -5.865 2.777 0.000) 6.489 18.595 ( 1.475 -6.206 0.000) 6.379 18.676 ( -1.514 0.160 0.000) 1.522 18.803 ( 1.332 2.142 0.000) 2.522 18.867 ( 3.318 -6.192 0.000) 7.025 18.950 ( -1.124 0.304 0.000) 1.165 19.140 ( -8.130 -10.051 0.000) 12.928 19.550 ( 2.305 7.433 0.000) 7.782 19.675 ( -5.715 11.566 0.000) 12.901 20.299 ( 7.600 -8.166 0.000) 11.156 20.505 ( -1.254 -7.665 0.000) 7.766 20.702 ( 1.882 1.919 0.000) 2.688 20.762 ( -0.878 3.876 0.000) 3.974 20.858 ( 1.160 2.714 0.000) 2.952 21.035 ( -7.303 -3.862 0.000) 8.261 21.569 ( 4.058 2.961 0.000) 5.024 21.701 ( -2.206 0.632 0.000) 2.295 21.954 ( 1.784 1.116 0.000) 2.104 22.139 ( -6.924 -1.711 0.000) 7.132 ======================= Grid point 16 (12/72) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( -0.508 4.023 0.000) 4.055 1.969 ( 0.508 4.023 0.000) 4.055 2.430 ( -6.897 -3.040 0.000) 7.537 2.430 ( 6.897 -3.040 0.000) 7.537 2.564 ( -5.133 -0.099 0.000) 5.134 2.564 ( 5.133 -0.099 0.000) 5.134 2.686 ( -1.068 0.160 0.000) 1.080 2.686 ( 1.068 0.160 0.000) 1.080 2.853 ( -5.378 4.570 0.000) 7.058 2.853 ( 5.378 4.570 0.000) 7.058 3.000 ( -7.401 -1.547 0.000) 7.560 3.000 ( 7.401 -1.547 0.000) 7.560 3.140 ( -4.771 -3.386 0.000) 5.850 3.140 ( 4.771 -3.386 0.000) 5.850 3.458 ( -2.110 0.761 0.000) 2.243 3.458 ( 2.110 0.761 0.000) 2.243 3.553 ( -1.032 2.966 0.000) 3.141 3.553 ( 1.032 2.966 0.000) 3.141 3.935 ( -3.278 -4.147 0.000) 5.286 3.935 ( 3.278 -4.147 0.000) 5.286 4.388 ( -2.908 0.310 0.000) 2.924 4.388 ( 2.908 0.310 0.000) 2.924 4.523 ( -2.910 2.334 0.000) 3.730 4.523 ( 2.910 2.334 0.000) 3.730 4.576 ( -12.017 0.577 0.000) 12.030 4.576 ( 12.017 0.577 0.000) 12.030 5.081 ( -3.478 -2.286 0.000) 4.162 5.081 ( 3.478 -2.286 0.000) 4.162 5.275 ( -0.812 3.487 0.000) 3.581 5.275 ( 0.812 3.487 0.000) 3.581 5.617 ( -4.656 4.313 0.000) 6.346 5.617 ( 4.656 4.313 0.000) 6.346 5.717 ( -4.163 0.556 0.000) 4.199 5.717 ( 4.163 0.556 0.000) 4.199 6.113 ( -1.024 -0.033 0.000) 1.025 6.113 ( 1.024 -0.033 0.000) 1.025 6.208 ( -3.057 -2.714 0.000) 4.088 6.208 ( 3.057 -2.714 0.000) 4.088 6.364 ( -0.647 -3.896 0.000) 3.950 6.364 ( 0.647 -3.896 0.000) 3.950 7.376 ( -2.531 3.186 0.000) 4.069 7.376 ( 2.531 3.186 0.000) 4.069 7.605 ( -1.291 1.665 0.000) 2.107 7.605 ( 1.291 1.665 0.000) 2.107 7.823 ( -2.632 -3.461 0.000) 4.348 7.823 ( 2.632 -3.461 0.000) 4.348 8.032 ( -1.179 -3.442 0.000) 3.638 8.032 ( 1.179 -3.442 0.000) 3.638 8.419 ( -5.778 2.675 0.000) 6.367 8.419 ( 5.778 2.675 0.000) 6.367 8.884 ( -1.082 -6.125 0.000) 6.220 8.884 ( 1.082 -6.125 0.000) 6.220 9.527 ( -1.534 5.136 0.000) 5.360 9.527 ( 1.534 5.136 0.000) 5.360 9.702 ( -4.005 2.737 0.000) 4.851 9.702 ( 4.005 2.737 0.000) 4.851 10.297 ( -1.890 -1.700 0.000) 2.542 10.297 ( 1.890 -1.700 0.000) 2.542 10.579 ( -1.507 -1.360 0.000) 2.030 10.579 ( 1.507 -1.360 0.000) 2.030 11.185 ( -0.300 4.225 0.000) 4.236 11.185 ( 0.300 4.225 0.000) 4.236 11.710 ( -1.931 -2.484 0.000) 3.146 11.710 ( 1.931 -2.484 0.000) 3.146 12.376 ( -3.760 0.711 0.000) 3.827 12.376 ( 3.760 0.711 0.000) 3.827 12.660 ( -7.061 -1.521 0.000) 7.223 12.660 ( 7.061 -1.521 0.000) 7.223 13.011 ( -3.100 5.494 0.000) 6.308 13.011 ( 3.100 5.494 0.000) 6.308 13.747 ( -2.811 -9.755 0.000) 10.152 13.747 ( 2.811 -9.755 0.000) 10.152 14.206 ( -2.740 4.316 0.000) 5.112 14.206 ( 2.740 4.316 0.000) 5.112 14.380 ( -4.500 2.412 0.000) 5.106 14.380 ( 4.500 2.412 0.000) 5.106 14.912 ( -3.092 1.504 0.000) 3.439 14.912 ( 3.092 1.504 0.000) 3.439 15.376 ( -7.811 -2.967 0.000) 8.356 15.376 ( 7.811 -2.967 0.000) 8.356 16.340 ( -0.862 0.786 0.000) 1.167 16.340 ( 0.862 0.786 0.000) 1.167 16.825 ( -8.567 -1.682 0.000) 8.731 16.825 ( 8.567 -1.682 0.000) 8.731 17.501 ( -1.061 -1.852 0.000) 2.134 17.501 ( 1.061 -1.852 0.000) 2.134 17.722 ( -2.882 -1.106 0.000) 3.087 17.722 ( 2.882 -1.106 0.000) 3.087 18.078 ( -5.273 6.966 0.000) 8.736 18.078 ( 5.273 6.966 0.000) 8.736 18.628 ( -2.518 -1.683 0.000) 3.028 18.628 ( 2.518 -1.683 0.000) 3.028 18.881 ( -3.897 -3.555 0.000) 5.275 18.881 ( 3.897 -3.555 0.000) 5.275 18.980 ( -6.597 -4.125 0.000) 7.780 18.980 ( 6.597 -4.125 0.000) 7.780 19.599 ( -2.925 9.417 0.000) 9.860 19.599 ( 2.925 9.417 0.000) 9.860 20.432 ( -5.986 -9.300 0.000) 11.060 20.432 ( 5.986 -9.300 0.000) 11.060 20.734 ( -1.664 4.114 0.000) 4.437 20.734 ( 1.664 4.114 0.000) 4.437 20.919 ( -4.803 -1.011 0.000) 4.909 20.919 ( 4.803 -1.011 0.000) 4.909 21.645 ( -3.584 2.269 0.000) 4.242 21.645 ( 3.584 2.269 0.000) 4.242 22.021 ( -5.168 -0.770 0.000) 5.225 22.021 ( 5.168 -0.770 0.000) 5.225 ======================= Grid point 22 (13/72) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( 0.000 25.538 0.000) 25.538 1.116 ( 0.000 28.537 0.000) 28.537 1.800 ( 0.000 -5.471 0.000) 5.471 1.943 ( 0.000 24.854 0.000) 24.854 2.088 ( 0.000 -12.488 0.000) 12.488 2.424 ( 0.000 10.235 0.000) 10.235 2.624 ( 0.000 4.347 0.000) 4.347 2.678 ( 0.000 0.188 0.000) 0.188 2.810 ( 0.000 -5.190 0.000) 5.190 3.033 ( 0.000 4.701 0.000) 4.701 3.064 ( 0.000 -3.015 0.000) 3.015 3.110 ( 0.000 -8.673 0.000) 8.673 3.161 ( 0.000 -5.919 0.000) 5.919 3.404 ( 0.000 -5.248 0.000) 5.248 3.478 ( 0.000 1.642 0.000) 1.642 3.512 ( 0.000 3.006 0.000) 3.006 3.625 ( 0.000 7.682 0.000) 7.682 3.706 ( 0.000 -8.904 0.000) 8.904 3.820 ( 0.000 -8.175 0.000) 8.175 4.026 ( 0.000 5.636 0.000) 5.636 4.113 ( 0.000 -15.994 0.000) 15.994 4.204 ( 0.000 -3.614 0.000) 3.614 4.509 ( 0.000 0.559 0.000) 0.559 4.509 ( 0.000 0.426 0.000) 0.426 4.791 ( 0.000 2.693 0.000) 2.693 5.058 ( 0.000 -5.739 0.000) 5.739 5.203 ( 0.000 12.566 0.000) 12.566 5.248 ( 0.000 5.538 0.000) 5.538 5.307 ( 0.000 4.396 0.000) 4.396 5.460 ( 0.000 0.256 0.000) 0.256 5.490 ( 0.000 0.480 0.000) 0.480 5.597 ( 0.000 3.632 0.000) 3.632 5.604 ( 0.000 -6.698 0.000) 6.698 5.805 ( 0.000 -5.543 0.000) 5.543 5.885 ( 0.000 5.375 0.000) 5.375 5.982 ( 0.000 -3.695 0.000) 3.695 6.106 ( 0.000 -0.323 0.000) 0.323 6.158 ( 0.000 1.654 0.000) 1.654 6.239 ( 0.000 -1.739 0.000) 1.739 6.376 ( 0.000 -3.160 0.000) 3.160 7.357 ( 0.000 2.373 0.000) 2.373 7.368 ( 0.000 -0.470 0.000) 0.470 7.677 ( 0.000 0.510 0.000) 0.510 7.741 ( 0.000 0.818 0.000) 0.818 7.828 ( 0.000 1.696 0.000) 1.696 7.954 ( 0.000 -3.791 0.000) 3.791 8.035 ( 0.000 2.909 0.000) 2.909 8.223 ( 0.000 -5.767 0.000) 5.767 8.495 ( 0.000 4.026 0.000) 4.026 8.848 ( 0.000 -10.664 0.000) 10.664 9.005 ( 0.000 4.454 0.000) 4.454 9.107 ( 0.000 -2.074 0.000) 2.074 9.559 ( 0.000 -0.327 0.000) 0.327 9.571 ( 0.000 -1.398 0.000) 1.398 9.652 ( 0.000 1.004 0.000) 1.004 9.716 ( 0.000 -1.810 0.000) 1.810 9.962 ( 0.000 2.955 0.000) 2.955 10.106 ( 0.000 -2.411 0.000) 2.411 10.136 ( 0.000 2.476 0.000) 2.476 10.212 ( 0.000 -2.344 0.000) 2.344 10.873 ( 0.000 5.335 0.000) 5.335 10.962 ( 0.000 7.576 0.000) 7.576 11.043 ( 0.000 -4.654 0.000) 4.654 11.272 ( 0.000 -6.648 0.000) 6.648 12.087 ( 0.000 3.092 0.000) 3.092 12.233 ( 0.000 -3.436 0.000) 3.436 12.545 ( 0.000 0.067 0.000) 0.067 12.570 ( 0.000 -1.190 0.000) 1.190 12.883 ( 0.000 8.048 0.000) 8.048 13.180 ( 0.000 -6.780 0.000) 6.780 13.846 ( 0.000 6.342 0.000) 6.342 14.086 ( 0.000 7.232 0.000) 7.232 14.119 ( 0.000 -7.608 0.000) 7.608 14.343 ( 0.000 -5.591 0.000) 5.591 14.817 ( 0.000 2.247 0.000) 2.247 14.878 ( 0.000 -0.517 0.000) 0.517 14.995 ( 0.000 5.559 0.000) 5.559 15.172 ( 0.000 -3.332 0.000) 3.332 15.760 ( 0.000 4.896 0.000) 4.896 15.915 ( 0.000 -1.227 0.000) 1.227 16.195 ( 0.000 -3.065 0.000) 3.065 16.213 ( 0.000 -2.875 0.000) 2.875 16.453 ( 0.000 -0.435 0.000) 0.435 16.597 ( 0.000 -5.724 0.000) 5.724 17.058 ( 0.000 5.278 0.000) 5.278 17.107 ( 0.000 1.492 0.000) 1.492 17.457 ( 0.000 -1.354 0.000) 1.354 17.529 ( 0.000 -5.742 0.000) 5.742 17.867 ( 0.000 6.255 0.000) 6.255 18.163 ( 0.000 -8.702 0.000) 8.702 18.441 ( 0.000 8.414 0.000) 8.414 18.683 ( 0.000 -0.290 0.000) 0.290 18.905 ( 0.000 0.900 0.000) 0.900 18.982 ( 0.000 -1.371 0.000) 1.371 19.104 ( 0.000 1.334 0.000) 1.334 19.148 ( 0.000 -1.084 0.000) 1.084 19.548 ( 0.000 5.577 0.000) 5.577 19.793 ( 0.000 -5.909 0.000) 5.909 20.170 ( 0.000 3.863 0.000) 3.863 20.394 ( 0.000 -6.814 0.000) 6.814 20.611 ( 0.000 9.910 0.000) 9.910 20.846 ( 0.000 -2.380 0.000) 2.380 21.210 ( 0.000 1.156 0.000) 1.156 21.262 ( 0.000 -1.360 0.000) 1.360 21.523 ( 0.000 2.778 0.000) 2.778 21.639 ( 0.000 -2.968 0.000) 2.968 22.170 ( 0.000 2.662 0.000) 2.662 22.321 ( 0.000 -4.805 0.000) 4.805 ======================= Grid point 23 (14/72) ======================= q-point: ( 0.10 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( 9.599 22.492 0.000) 24.454 1.206 ( 10.917 25.390 0.000) 27.637 1.850 ( 4.333 -13.881 0.000) 14.541 2.063 ( 8.050 -1.948 0.000) 8.282 2.194 ( 13.036 12.757 0.000) 18.239 2.497 ( 5.468 7.783 0.000) 9.512 2.617 ( 0.713 6.087 0.000) 6.129 2.725 ( 4.470 0.488 0.000) 4.497 2.836 ( 2.659 -5.252 0.000) 5.887 2.985 ( -3.081 0.771 0.000) 3.176 3.031 ( -3.236 -2.818 0.000) 4.291 3.152 ( 0.014 -6.647 0.000) 6.647 3.169 ( 3.908 -1.519 0.000) 4.193 3.375 ( -2.993 -3.371 0.000) 4.508 3.465 ( -0.667 0.595 0.000) 0.894 3.509 ( -0.392 3.064 0.000) 3.089 3.605 ( -1.621 5.538 0.000) 5.770 3.707 ( -0.643 -2.794 0.000) 2.867 3.825 ( 0.558 -8.360 0.000) 8.379 3.993 ( -3.334 3.477 0.000) 4.817 4.079 ( -5.765 -6.778 0.000) 8.898 4.192 ( 1.580 -12.938 0.000) 13.034 4.482 ( -1.933 0.718 0.000) 2.062 4.525 ( 0.565 0.236 0.000) 0.612 4.771 ( -1.996 4.340 0.000) 4.777 5.061 ( 0.164 -4.886 0.000) 4.889 5.127 ( -5.088 9.268 0.000) 10.572 5.275 ( -3.310 1.823 0.000) 3.779 5.322 ( 3.194 8.562 0.000) 9.139 5.432 ( 0.154 3.637 0.000) 3.640 5.504 ( -3.686 1.497 0.000) 3.979 5.570 ( 3.606 2.072 0.000) 4.159 5.656 ( 4.769 -5.153 0.000) 7.021 5.813 ( 2.525 -4.355 0.000) 5.034 5.929 ( 1.798 4.268 0.000) 4.631 6.027 ( 2.732 -3.344 0.000) 4.318 6.071 ( -2.583 0.060 0.000) 2.583 6.144 ( -1.233 2.378 0.000) 2.679 6.248 ( 0.388 -2.086 0.000) 2.122 6.376 ( -0.403 -7.171 0.000) 7.183 7.299 ( -2.719 2.537 0.000) 3.719 7.409 ( 1.199 -2.294 0.000) 2.588 7.660 ( -1.490 2.107 0.000) 2.580 7.727 ( -1.289 0.950 0.000) 1.601 7.830 ( 0.067 1.602 0.000) 1.604 7.958 ( 0.516 -2.315 0.000) 2.371 8.031 ( -0.009 2.388 0.000) 2.388 8.250 ( 1.623 -7.928 0.000) 8.092 8.469 ( -2.194 5.297 0.000) 5.733 8.802 ( -5.357 -9.167 0.000) 10.618 8.889 ( -8.374 3.930 0.000) 9.250 9.042 ( -5.478 -4.882 0.000) 7.338 9.479 ( -0.946 1.863 0.000) 2.089 9.590 ( -0.268 -3.577 0.000) 3.587 9.739 ( 5.866 2.746 0.000) 6.477 9.776 ( 1.512 0.646 0.000) 1.644 10.028 ( 6.157 2.572 0.000) 6.673 10.115 ( -1.019 2.653 0.000) 2.842 10.180 ( 5.461 -2.688 0.000) 6.087 10.258 ( 4.752 -4.875 0.000) 6.808 10.937 ( 6.129 5.892 0.000) 8.502 10.953 ( 3.351 7.427 0.000) 8.148 11.235 ( 12.886 -5.596 0.000) 14.049 11.334 ( 6.626 -6.260 0.000) 9.116 12.091 ( 0.712 2.605 0.000) 2.700 12.226 ( -0.273 -3.507 0.000) 3.517 12.556 ( 0.857 0.766 0.000) 1.150 12.588 ( 1.711 -1.551 0.000) 2.309 12.909 ( 2.639 9.316 0.000) 9.682 13.217 ( 3.612 -7.129 0.000) 7.992 13.754 ( -8.313 4.842 0.000) 9.621 13.961 ( -9.976 -3.385 0.000) 10.535 14.168 ( 1.709 1.552 0.000) 2.308 14.322 ( -0.953 -3.615 0.000) 3.738 14.703 ( -8.227 6.268 0.000) 10.343 14.799 ( -6.077 0.259 0.000) 6.082 15.019 ( -0.530 2.341 0.000) 2.400 15.155 ( -1.737 -3.287 0.000) 3.718 15.693 ( -6.695 6.968 0.000) 9.663 15.942 ( 2.087 -3.218 0.000) 3.836 16.130 ( -0.281 -0.643 0.000) 0.702 16.248 ( -2.396 -3.237 0.000) 4.028 16.483 ( 2.662 -0.446 0.000) 2.699 16.652 ( 4.496 -7.615 0.000) 8.843 17.122 ( 4.256 1.402 0.000) 4.481 17.166 ( 7.353 1.130 0.000) 7.440 17.472 ( 2.640 0.748 0.000) 2.744 17.610 ( 5.943 -5.112 0.000) 7.839 17.896 ( 2.689 6.553 0.000) 7.083 18.198 ( 3.379 -9.218 0.000) 9.818 18.443 ( -0.034 7.349 0.000) 7.349 18.675 ( -0.887 -1.407 0.000) 1.663 18.848 ( -4.918 1.362 0.000) 5.103 18.962 ( -1.176 -2.436 0.000) 2.705 19.017 ( -5.316 3.400 0.000) 6.310 19.176 ( -0.387 -4.606 0.000) 4.622 19.589 ( 3.508 6.515 0.000) 7.400 19.820 ( 2.941 -4.609 0.000) 5.467 20.156 ( -1.627 3.711 0.000) 4.052 20.394 ( 0.048 -7.174 0.000) 7.175 20.615 ( 0.569 9.603 0.000) 9.619 20.843 ( -0.225 -1.443 0.000) 1.460 21.133 ( -6.226 3.688 0.000) 7.237 21.259 ( -1.576 -4.284 0.000) 4.565 21.526 ( 0.177 2.415 0.000) 2.421 21.636 ( 0.154 -3.036 0.000) 3.040 22.133 ( -2.464 5.462 0.000) 5.992 22.342 ( 0.342 -6.374 0.000) 6.383 ======================= Grid point 24 (15/72) ======================= q-point: ( 0.20 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( 16.636 14.118 0.000) 21.819 1.498 ( 17.599 17.001 0.000) 24.470 1.955 ( 6.539 -13.278 0.000) 14.801 2.169 ( 3.723 -15.944 0.000) 16.373 2.464 ( 6.074 10.395 0.000) 12.040 2.517 ( 2.119 2.066 0.000) 2.959 2.755 ( 10.997 7.912 0.000) 13.548 2.797 ( 0.237 -0.549 0.000) 0.598 2.896 ( 3.578 -1.987 0.000) 4.093 2.956 ( 0.037 -1.030 0.000) 1.031 2.985 ( 1.614 -2.224 0.000) 2.748 3.151 ( -1.404 0.575 0.000) 1.517 3.242 ( 2.490 -1.830 0.000) 3.091 3.314 ( -0.887 2.294 0.000) 2.459 3.464 ( -1.242 -2.845 0.000) 3.104 3.492 ( 0.069 2.712 0.000) 2.713 3.566 ( -2.753 6.687 0.000) 7.232 3.665 ( -3.377 3.409 0.000) 4.799 3.825 ( -1.786 -5.702 0.000) 5.975 3.929 ( -2.796 2.168 0.000) 3.538 3.946 ( -5.251 -3.598 0.000) 6.366 4.245 ( 3.038 -15.561 0.000) 15.855 4.435 ( -2.520 1.123 0.000) 2.759 4.536 ( 0.793 -1.881 0.000) 2.041 4.722 ( -2.820 7.668 0.000) 8.171 4.980 ( -6.499 8.675 0.000) 10.840 5.112 ( 0.392 -4.749 0.000) 4.765 5.193 ( -2.798 -2.178 0.000) 3.546 5.354 ( -0.396 7.870 0.000) 7.880 5.429 ( -2.546 3.677 0.000) 4.472 5.480 ( 3.512 4.959 0.000) 6.077 5.671 ( 5.530 2.488 0.000) 6.064 5.752 ( 4.208 -5.379 0.000) 6.830 5.865 ( -1.089 3.602 0.000) 3.763 5.947 ( 3.103 0.565 0.000) 3.154 6.041 ( 0.859 -2.566 0.000) 2.706 6.057 ( 0.291 -3.641 0.000) 3.653 6.127 ( -0.359 2.457 0.000) 2.483 6.247 ( -0.433 -3.489 0.000) 3.516 6.349 ( -2.398 -8.159 0.000) 8.504 7.273 ( 0.173 2.700 0.000) 2.705 7.418 ( 0.394 -3.880 0.000) 3.900 7.632 ( -1.349 4.185 0.000) 4.397 7.706 ( -0.699 0.437 0.000) 0.824 7.817 ( -1.685 1.814 0.000) 2.476 7.970 ( 0.040 1.580 0.000) 1.581 8.032 ( -0.177 -1.676 0.000) 1.685 8.249 ( -2.008 -7.620 0.000) 7.881 8.420 ( -3.414 4.926 0.000) 5.993 8.669 ( -6.424 -3.696 0.000) 7.412 8.772 ( -3.946 -1.973 0.000) 4.411 8.938 ( -5.217 -7.417 0.000) 9.069 9.504 ( 2.708 2.019 0.000) 3.378 9.599 ( 1.041 -1.758 0.000) 2.044 9.756 ( -1.317 4.032 0.000) 4.242 9.827 ( 1.784 2.414 0.000) 3.001 10.113 ( 1.783 2.351 0.000) 2.951 10.155 ( 5.340 1.612 0.000) 5.578 10.279 ( 5.695 -2.195 0.000) 6.104 10.369 ( 5.831 -5.984 0.000) 8.355 11.063 ( 7.098 6.531 0.000) 9.646 11.084 ( 8.247 7.465 0.000) 11.124 11.422 ( 7.425 -3.195 0.000) 8.084 11.511 ( 9.376 -6.776 0.000) 11.569 12.125 ( 3.083 1.791 0.000) 3.565 12.239 ( 1.961 -3.667 0.000) 4.158 12.581 ( 1.783 1.676 0.000) 2.447 12.616 ( 1.131 -0.439 0.000) 1.213 12.977 ( 4.271 10.436 0.000) 11.276 13.292 ( 3.262 -5.109 0.000) 6.061 13.579 ( -9.546 0.622 0.000) 9.566 13.750 ( -9.926 -8.129 0.000) 12.830 14.198 ( 1.805 3.187 0.000) 3.663 14.320 ( 0.178 -1.988 0.000) 1.996 14.563 ( -6.538 6.133 0.000) 8.964 14.677 ( -6.177 -0.531 0.000) 6.200 14.967 ( -4.045 3.094 0.000) 5.092 15.111 ( -2.829 -3.841 0.000) 4.770 15.547 ( -8.169 9.033 0.000) 12.179 15.898 ( -8.187 -9.097 0.000) 12.239 16.151 ( 3.029 1.939 0.000) 3.597 16.239 ( 2.357 -2.483 0.000) 3.424 16.523 ( 2.076 3.539 0.000) 4.103 16.759 ( 6.301 -9.050 0.000) 11.027 17.223 ( 6.660 1.354 0.000) 6.796 17.315 ( 6.911 -2.823 0.000) 7.465 17.550 ( 5.107 3.605 0.000) 6.251 17.688 ( 1.291 -0.541 0.000) 1.400 17.956 ( 3.683 7.526 0.000) 8.379 18.264 ( 2.728 -8.007 0.000) 8.459 18.431 ( -1.164 2.447 0.000) 2.710 18.644 ( -2.165 -6.190 0.000) 6.558 18.777 ( -1.877 3.373 0.000) 3.860 18.923 ( -2.733 3.393 0.000) 4.357 18.972 ( 0.567 -3.437 0.000) 3.484 19.133 ( -3.433 -6.806 0.000) 7.622 19.642 ( 1.664 8.041 0.000) 8.211 19.903 ( 5.213 -5.433 0.000) 7.529 20.106 ( -3.433 6.168 0.000) 7.059 20.393 ( -0.266 -7.356 0.000) 7.361 20.638 ( 1.896 7.574 0.000) 7.807 20.840 ( -0.131 -0.157 0.000) 0.205 21.014 ( -5.535 4.303 0.000) 7.011 21.191 ( -5.400 -6.316 0.000) 8.310 21.533 ( 0.975 3.071 0.000) 3.222 21.653 ( 1.521 -3.220 0.000) 3.561 22.088 ( -2.504 6.269 0.000) 6.751 22.307 ( -3.856 -5.660 0.000) 6.849 ======================= Grid point 25 (16/72) ======================= q-point: ( 0.30 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( 20.028 4.819 0.000) 20.599 1.822 ( 15.420 10.151 0.000) 18.461 2.076 ( 4.485 -8.186 0.000) 9.334 2.215 ( 2.044 -7.039 0.000) 7.330 2.441 ( -0.114 1.009 0.000) 1.015 2.595 ( 0.249 -4.279 0.000) 4.286 2.781 ( 0.890 -1.053 0.000) 1.379 2.836 ( -2.598 -0.015 0.000) 2.598 2.942 ( 3.693 1.503 0.000) 3.987 2.978 ( -3.542 0.607 0.000) 3.594 3.051 ( -2.272 3.009 0.000) 3.770 3.107 ( 2.900 -1.165 0.000) 3.125 3.230 ( -2.494 -2.698 0.000) 3.674 3.282 ( -7.659 -4.883 0.000) 9.083 3.440 ( -0.792 4.973 0.000) 5.036 3.490 ( -4.519 7.827 0.000) 9.038 3.584 ( 10.283 6.231 0.000) 12.024 3.638 ( 0.343 -0.743 0.000) 0.818 3.757 ( -2.913 -1.219 0.000) 3.158 3.871 ( -1.599 -2.526 0.000) 2.989 3.965 ( 5.520 3.852 0.000) 6.731 4.284 ( 1.065 -7.728 0.000) 7.801 4.423 ( 1.679 -2.412 0.000) 2.939 4.558 ( 1.389 -5.814 0.000) 5.978 4.682 ( -0.972 9.895 0.000) 9.943 4.861 ( -6.077 9.778 0.000) 11.512 5.068 ( -3.490 -2.926 0.000) 4.554 5.174 ( -1.889 -8.640 0.000) 8.844 5.326 ( -0.448 6.930 0.000) 6.944 5.429 ( 1.441 3.980 0.000) 4.233 5.531 ( 0.976 4.384 0.000) 4.491 5.730 ( -1.221 0.763 0.000) 1.440 5.787 ( 0.972 1.374 0.000) 1.683 5.816 ( -1.475 5.677 0.000) 5.866 6.019 ( 3.803 -2.557 0.000) 4.583 6.064 ( 1.225 -1.222 0.000) 1.731 6.119 ( 3.534 -3.797 0.000) 5.187 6.127 ( 1.995 -1.741 0.000) 2.648 6.234 ( -0.781 -5.381 0.000) 5.438 6.297 ( -2.578 -5.036 0.000) 5.658 7.304 ( 2.832 2.961 0.000) 4.097 7.447 ( 2.961 -2.617 0.000) 3.952 7.607 ( -1.453 4.377 0.000) 4.612 7.702 ( 0.188 -1.059 0.000) 1.075 7.764 ( -3.699 2.659 0.000) 4.556 7.933 ( -3.857 3.896 0.000) 5.483 8.017 ( -1.675 -6.728 0.000) 6.933 8.168 ( -6.897 -5.874 0.000) 9.059 8.361 ( -0.817 5.676 0.000) 5.734 8.595 ( -2.035 -1.713 0.000) 2.660 8.729 ( -0.957 -5.491 0.000) 5.574 8.851 ( -3.747 -6.995 0.000) 7.935 9.563 ( 3.058 2.481 0.000) 3.938 9.618 ( 1.126 1.655 0.000) 2.001 9.734 ( -1.335 4.965 0.000) 5.141 9.830 ( -0.694 2.506 0.000) 2.600 10.160 ( 2.818 0.921 0.000) 2.964 10.231 ( 2.817 -1.530 0.000) 3.206 10.398 ( 6.205 -1.428 0.000) 6.367 10.467 ( 4.428 -4.543 0.000) 6.344 11.186 ( 5.380 6.611 0.000) 8.524 11.219 ( 5.309 7.249 0.000) 8.985 11.539 ( 4.857 -2.607 0.000) 5.512 11.635 ( 3.544 -5.587 0.000) 6.616 12.209 ( 5.425 1.574 0.000) 5.648 12.304 ( 4.602 -3.157 0.000) 5.581 12.594 ( -0.803 2.403 0.000) 2.534 12.657 ( 3.265 -0.158 0.000) 3.268 13.058 ( 3.675 9.112 0.000) 9.825 13.281 ( -5.657 5.704 0.000) 8.034 13.452 ( -1.016 -8.771 0.000) 8.830 13.631 ( -3.255 -11.278 0.000) 11.739 14.233 ( 1.602 2.423 0.000) 2.905 14.311 ( -1.218 0.008 0.000) 1.218 14.463 ( -3.544 5.067 0.000) 6.183 14.574 ( -4.781 -0.601 0.000) 4.819 14.902 ( -2.021 3.346 0.000) 3.908 15.053 ( -3.068 -3.955 0.000) 5.006 15.393 ( -7.643 7.424 0.000) 10.655 15.690 ( -12.060 -7.377 0.000) 14.137 16.236 ( 4.893 0.640 0.000) 4.935 16.294 ( 3.009 -2.790 0.000) 4.104 16.582 ( 4.145 5.499 0.000) 6.886 16.854 ( 2.805 -8.754 0.000) 9.192 17.367 ( 7.915 0.056 0.000) 7.915 17.423 ( 4.905 -3.448 0.000) 5.996 17.649 ( 3.193 2.903 0.000) 4.316 17.661 ( -1.845 5.583 0.000) 5.880 18.044 ( 5.355 7.526 0.000) 9.237 18.285 ( -0.488 -0.586 0.000) 0.762 18.413 ( -0.209 -6.495 0.000) 6.499 18.612 ( -0.918 -9.755 0.000) 9.798 18.763 ( 0.104 4.100 0.000) 4.101 18.890 ( -1.023 1.860 0.000) 2.123 18.984 ( 0.014 -1.239 0.000) 1.239 19.064 ( -3.631 -7.042 0.000) 7.923 19.667 ( 1.571 9.182 0.000) 9.315 19.969 ( -0.889 -0.502 0.000) 1.021 20.055 ( 0.664 2.440 0.000) 2.528 20.381 ( -1.154 -8.221 0.000) 8.301 20.683 ( 2.658 4.441 0.000) 5.176 20.835 ( -0.413 0.809 0.000) 0.908 20.934 ( -2.884 3.017 0.000) 4.174 21.071 ( -6.659 -5.867 0.000) 8.875 21.570 ( 2.806 3.741 0.000) 4.676 21.685 ( 1.616 -2.397 0.000) 2.891 22.033 ( -3.126 4.947 0.000) 5.852 22.210 ( -5.885 -4.230 0.000) 7.247 ======================= Grid point 26 (17/72) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.033 ( 6.320 4.759 0.000) 7.912 2.057 ( 1.936 1.782 0.000) 2.631 2.121 ( 13.598 0.933 0.000) 13.630 2.292 ( 5.234 -5.490 0.000) 7.585 2.495 ( 4.438 0.140 0.000) 4.440 2.614 ( 3.869 -5.392 0.000) 6.636 2.747 ( -7.883 1.173 0.000) 7.969 2.776 ( -3.762 1.195 0.000) 3.947 2.874 ( -1.778 2.233 0.000) 2.854 2.967 ( -5.415 -0.646 0.000) 5.454 2.986 ( -0.193 3.936 0.000) 3.940 3.108 ( -4.052 -1.338 0.000) 4.267 3.132 ( -7.811 -1.823 0.000) 8.021 3.174 ( 0.280 -3.424 0.000) 3.436 3.394 ( -3.261 4.452 0.000) 5.518 3.480 ( 2.833 3.541 0.000) 4.535 3.597 ( -2.973 -1.894 0.000) 3.525 3.691 ( -0.801 5.466 0.000) 5.524 3.785 ( 4.169 -5.085 0.000) 6.576 3.856 ( -0.361 -4.493 0.000) 4.507 4.182 ( 15.144 3.562 0.000) 15.557 4.325 ( 4.080 -0.738 0.000) 4.146 4.453 ( -0.012 -2.931 0.000) 2.931 4.572 ( -1.102 -6.599 0.000) 6.690 4.681 ( 0.571 10.196 0.000) 10.212 4.761 ( -3.737 9.108 0.000) 9.845 5.006 ( -2.310 -3.201 0.000) 3.947 5.103 ( -5.051 -6.712 0.000) 8.400 5.337 ( 1.068 5.965 0.000) 6.060 5.436 ( -2.382 6.164 0.000) 6.609 5.537 ( 2.069 -1.467 0.000) 2.536 5.673 ( -3.494 -4.091 0.000) 5.380 5.801 ( 0.957 6.390 0.000) 6.461 5.822 ( 0.693 8.737 0.000) 8.765 6.071 ( 1.807 -4.322 0.000) 4.684 6.109 ( 1.912 -1.128 0.000) 2.220 6.123 ( 0.759 1.519 0.000) 1.698 6.192 ( -0.154 -4.367 0.000) 4.370 6.230 ( 1.769 -6.283 0.000) 6.527 6.267 ( -0.474 -5.461 0.000) 5.481 7.373 ( 4.293 4.040 0.000) 5.895 7.510 ( 1.284 2.923 0.000) 3.193 7.582 ( 0.453 0.348 0.000) 0.571 7.685 ( -3.421 0.460 0.000) 3.452 7.712 ( 0.327 0.001 0.000) 0.327 7.848 ( -4.472 0.932 0.000) 4.568 7.973 ( -2.424 -6.904 0.000) 7.317 8.021 ( -6.951 -4.889 0.000) 8.498 8.400 ( 4.075 5.661 0.000) 6.975 8.556 ( -2.665 1.802 0.000) 3.217 8.728 ( 0.834 -7.380 0.000) 7.427 8.795 ( -2.374 -6.593 0.000) 7.008 9.604 ( 1.477 4.437 0.000) 4.676 9.667 ( 3.718 3.092 0.000) 4.836 9.693 ( -2.535 5.537 0.000) 6.090 9.807 ( -2.013 1.781 0.000) 2.688 10.214 ( 2.703 -1.085 0.000) 2.913 10.264 ( 0.611 -2.815 0.000) 2.881 10.498 ( 4.012 -1.415 0.000) 4.254 10.532 ( 2.210 -3.085 0.000) 3.795 11.262 ( 2.685 6.658 0.000) 7.179 11.283 ( 1.688 6.873 0.000) 7.077 11.608 ( 2.549 -3.400 0.000) 4.250 11.662 ( -0.157 -4.942 0.000) 4.945 12.314 ( 5.206 1.702 0.000) 5.477 12.390 ( 3.285 -1.901 0.000) 3.795 12.579 ( 0.157 2.308 0.000) 2.314 12.691 ( -0.953 -3.076 0.000) 3.220 13.103 ( 1.588 8.748 0.000) 8.891 13.188 ( -2.475 8.977 0.000) 9.311 13.487 ( 3.087 -10.875 0.000) 11.304 13.587 ( -1.954 -11.699 0.000) 11.861 14.252 ( 0.589 2.632 0.000) 2.697 14.291 ( -0.548 1.526 0.000) 1.621 14.422 ( -1.165 4.151 0.000) 4.312 14.488 ( -4.128 0.370 0.000) 4.144 14.901 ( 1.639 2.511 0.000) 2.998 15.001 ( -2.453 -1.172 0.000) 2.719 15.283 ( -2.847 2.362 0.000) 3.699 15.471 ( -10.413 -5.795 0.000) 11.917 16.315 ( 3.259 0.609 0.000) 3.315 16.346 ( 1.997 -0.534 0.000) 2.067 16.675 ( 5.396 2.220 0.000) 5.835 16.856 ( -2.392 -6.586 0.000) 7.007 17.467 ( 2.826 -0.277 0.000) 2.839 17.544 ( 5.247 0.738 0.000) 5.299 17.591 ( -1.071 1.657 0.000) 1.973 17.714 ( 1.131 0.366 0.000) 1.189 18.140 ( 4.265 7.107 0.000) 8.288 18.258 ( -2.114 5.737 0.000) 6.114 18.442 ( 3.546 -9.743 0.000) 10.368 18.594 ( -1.869 -9.663 0.000) 9.842 18.787 ( 2.638 2.272 0.000) 3.482 18.878 ( -0.116 1.656 0.000) 1.660 18.953 ( -3.134 -0.075 0.000) 3.135 18.997 ( -3.427 -4.822 0.000) 5.915 19.714 ( 3.407 9.917 0.000) 10.486 19.889 ( -5.271 10.981 0.000) 12.180 20.128 ( 5.316 -9.444 0.000) 10.838 20.337 ( -3.820 -10.349 0.000) 11.031 20.734 ( 2.619 2.261 0.000) 3.460 20.820 ( -1.326 0.970 0.000) 1.643 20.900 ( -0.751 1.743 0.000) 1.897 20.961 ( -4.405 -3.190 0.000) 5.439 21.634 ( 3.612 3.570 0.000) 5.078 21.708 ( 0.540 -0.125 0.000) 0.554 21.985 ( -1.345 2.273 0.000) 2.641 22.095 ( -5.872 -2.964 0.000) 6.577 ======================= Grid point 27 (18/72) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( -1.037 4.399 0.000) 4.520 2.053 ( 1.037 4.399 0.000) 4.520 2.361 ( -3.995 -3.861 0.000) 5.555 2.361 ( 3.995 -3.861 0.000) 5.555 2.575 ( -5.461 1.123 0.000) 5.576 2.575 ( 5.461 1.123 0.000) 5.576 2.688 ( -2.612 -0.318 0.000) 2.631 2.688 ( 2.612 -0.318 0.000) 2.631 2.910 ( -5.895 1.059 0.000) 5.989 2.910 ( 5.895 1.059 0.000) 5.989 2.981 ( -5.852 0.056 0.000) 5.852 2.981 ( 5.852 0.056 0.000) 5.852 3.126 ( -4.949 1.715 0.000) 5.238 3.126 ( 4.949 1.715 0.000) 5.238 3.431 ( -5.552 -2.656 0.000) 6.155 3.431 ( 5.552 -2.656 0.000) 6.155 3.631 ( -4.428 4.546 0.000) 6.346 3.631 ( 4.428 4.546 0.000) 6.346 3.841 ( -1.627 -5.500 0.000) 5.736 3.841 ( 1.627 -5.500 0.000) 5.736 4.386 ( -5.179 0.063 0.000) 5.179 4.386 ( 5.179 0.063 0.000) 5.179 4.478 ( -8.337 -3.681 0.000) 9.113 4.478 ( 8.337 -3.681 0.000) 9.113 4.710 ( -2.322 9.739 0.000) 10.013 4.710 ( 2.322 9.739 0.000) 10.013 5.012 ( -3.263 -5.056 0.000) 6.017 5.012 ( 3.263 -5.056 0.000) 6.017 5.373 ( -2.950 6.636 0.000) 7.262 5.373 ( 2.950 6.636 0.000) 7.262 5.603 ( -3.875 -4.291 0.000) 5.782 5.603 ( 3.875 -4.291 0.000) 5.782 5.821 ( -0.757 8.201 0.000) 8.235 5.821 ( 0.757 8.201 0.000) 8.235 6.101 ( -1.288 -1.473 0.000) 1.956 6.101 ( 1.288 -1.473 0.000) 1.956 6.162 ( -2.027 -1.365 0.000) 2.444 6.162 ( 2.027 -1.365 0.000) 2.444 6.261 ( -0.731 -6.735 0.000) 6.775 6.261 ( 0.731 -6.735 0.000) 6.775 7.459 ( -4.456 5.523 0.000) 7.096 7.459 ( 4.456 5.523 0.000) 7.096 7.630 ( -2.500 -0.140 0.000) 2.504 7.630 ( 2.500 -0.140 0.000) 2.504 7.759 ( -4.616 -1.918 0.000) 4.999 7.759 ( 4.616 -1.918 0.000) 4.999 7.948 ( -0.559 -5.278 0.000) 5.308 7.948 ( 0.559 -5.278 0.000) 5.308 8.487 ( -4.443 4.419 0.000) 6.267 8.487 ( 4.443 4.419 0.000) 6.267 8.755 ( -1.814 -7.044 0.000) 7.273 8.755 ( 1.814 -7.044 0.000) 7.273 9.639 ( -2.411 6.277 0.000) 6.724 9.639 ( 2.411 6.277 0.000) 6.724 9.749 ( -3.978 1.615 0.000) 4.293 9.749 ( 3.978 1.615 0.000) 4.293 10.255 ( -1.462 -2.446 0.000) 2.849 10.255 ( 1.462 -2.446 0.000) 2.849 10.545 ( -0.895 -1.998 0.000) 2.189 10.545 ( 0.895 -1.998 0.000) 2.189 11.292 ( -0.585 6.645 0.000) 6.670 11.292 ( 0.585 6.645 0.000) 6.670 11.644 ( -1.433 -4.314 0.000) 4.546 11.644 ( 1.433 -4.314 0.000) 4.546 12.393 ( -2.657 0.988 0.000) 2.834 12.393 ( 2.657 0.988 0.000) 2.834 12.628 ( -4.358 -1.674 0.000) 4.668 12.628 ( 4.358 -1.674 0.000) 4.668 13.147 ( -2.602 8.905 0.000) 9.277 13.147 ( 2.602 8.904 0.000) 9.277 13.545 ( -2.679 -11.506 0.000) 11.813 13.545 ( 2.679 -11.506 0.000) 11.813 14.273 ( -1.493 2.668 0.000) 3.058 14.273 ( 1.493 2.668 0.000) 3.058 14.427 ( -1.972 2.106 0.000) 2.886 14.427 ( 1.972 2.106 0.000) 2.886 14.949 ( -2.979 2.167 0.000) 3.684 14.949 ( 2.979 2.167 0.000) 3.684 15.312 ( -5.676 -3.462 0.000) 6.648 15.312 ( 5.676 -3.462 0.000) 6.648 16.356 ( -0.919 0.845 0.000) 1.248 16.356 ( 0.919 0.845 0.000) 1.248 16.779 ( -5.194 -2.789 0.000) 5.895 16.779 ( 5.194 -2.789 0.000) 5.895 17.514 ( -2.603 3.340 0.000) 4.234 17.514 ( 2.603 3.340 0.000) 4.234 17.683 ( -4.353 -3.253 0.000) 5.434 17.683 ( 4.353 -3.253 0.000) 5.434 18.208 ( -3.089 6.628 0.000) 7.313 18.208 ( 3.089 6.628 0.000) 7.313 18.529 ( -4.649 -8.260 0.000) 9.478 18.529 ( 4.649 -8.260 0.000) 9.478 18.853 ( -3.607 1.385 0.000) 3.864 18.853 ( 3.607 1.385 0.000) 3.864 18.933 ( -2.590 -1.828 0.000) 3.170 18.933 ( 2.590 -1.828 0.000) 3.170 19.793 ( -4.705 11.086 0.000) 12.043 19.793 ( 4.705 11.086 0.000) 12.043 20.239 ( -5.963 -11.272 0.000) 12.752 20.239 ( 5.963 -11.272 0.000) 12.752 20.783 ( -2.437 1.130 0.000) 2.687 20.783 ( 2.437 1.130 0.000) 2.687 20.907 ( -1.472 -0.091 0.000) 1.475 20.907 ( 1.472 -0.091 0.000) 1.475 21.693 ( -2.213 2.484 0.000) 3.327 21.693 ( 2.213 2.484 0.000) 3.327 22.003 ( -3.300 -1.051 0.000) 3.463 22.003 ( 3.300 -1.051 0.000) 3.463 ======================= Grid point 33 (19/72) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( 0.000 -22.271 0.000) 22.271 1.452 ( 0.000 22.271 0.000) 22.271 1.618 ( 0.000 -25.666 0.000) 25.666 1.618 ( 0.000 25.666 0.000) 25.666 2.566 ( 0.000 -2.274 0.000) 2.274 2.566 ( 0.000 2.274 0.000) 2.274 2.692 ( 0.000 -2.715 0.000) 2.715 2.692 ( 0.000 2.715 0.000) 2.715 2.793 ( 0.000 -18.165 0.000) 18.165 2.793 ( 0.000 18.165 0.000) 18.165 3.031 ( 0.000 -0.195 0.000) 0.195 3.031 ( 0.000 0.195 0.000) 0.195 3.221 ( 0.000 -10.070 0.000) 10.070 3.221 ( 0.000 10.070 0.000) 10.070 3.493 ( 0.000 -1.726 0.000) 1.726 3.493 ( 0.000 1.726 0.000) 1.726 3.685 ( 0.000 -4.818 0.000) 4.818 3.685 ( 0.000 4.818 0.000) 4.818 3.850 ( 0.000 -12.919 0.000) 12.919 3.850 ( 0.000 12.919 0.000) 12.919 4.125 ( 0.000 -4.824 0.000) 4.824 4.125 ( 0.000 4.824 0.000) 4.824 4.515 ( 0.000 -0.081 0.000) 0.081 4.515 ( 0.000 0.081 0.000) 0.081 4.912 ( 0.000 -8.971 0.000) 8.971 4.912 ( 0.000 8.971 0.000) 8.971 5.317 ( 0.000 -1.775 0.000) 1.775 5.317 ( 0.000 1.775 0.000) 1.775 5.437 ( 0.000 -10.517 0.000) 10.517 5.437 ( 0.000 10.517 0.000) 10.517 5.488 ( 0.000 -1.896 0.000) 1.896 5.488 ( 0.000 1.896 0.000) 1.896 5.691 ( 0.000 -6.306 0.000) 6.306 5.691 ( 0.000 6.306 0.000) 6.306 5.937 ( 0.000 -1.451 0.000) 1.451 5.937 ( 0.000 1.451 0.000) 1.451 6.126 ( 0.000 -2.530 0.000) 2.530 6.126 ( 0.000 2.530 0.000) 2.530 6.296 ( 0.000 -5.146 0.000) 5.146 6.296 ( 0.000 5.146 0.000) 5.146 7.370 ( 0.000 -0.407 0.000) 0.407 7.370 ( 0.000 0.407 0.000) 0.407 7.722 ( 0.000 -2.873 0.000) 2.873 7.722 ( 0.000 2.873 0.000) 2.873 7.879 ( 0.000 -3.837 0.000) 3.837 7.879 ( 0.000 3.837 0.000) 3.837 8.107 ( 0.000 -5.296 0.000) 5.296 8.107 ( 0.000 5.296 0.000) 5.296 8.646 ( 0.000 -10.588 0.000) 10.588 8.646 ( 0.000 10.588 0.000) 10.588 9.065 ( 0.000 -2.483 0.000) 2.483 9.065 ( 0.000 2.483 0.000) 2.483 9.557 ( 0.000 -0.201 0.000) 0.201 9.557 ( 0.000 0.201 0.000) 0.201 9.680 ( 0.000 -1.915 0.000) 1.915 9.680 ( 0.000 1.915 0.000) 1.915 10.037 ( 0.000 -4.556 0.000) 4.556 10.037 ( 0.000 4.556 0.000) 4.556 10.175 ( 0.000 -1.856 0.000) 1.856 10.175 ( 0.000 1.856 0.000) 1.856 10.960 ( 0.000 -4.417 0.000) 4.417 10.960 ( 0.000 4.417 0.000) 4.417 11.122 ( 0.000 -9.007 0.000) 9.007 11.122 ( 0.000 9.007 0.000) 9.007 12.159 ( 0.000 -4.329 0.000) 4.329 12.159 ( 0.000 4.329 0.000) 4.329 12.552 ( 0.000 -0.686 0.000) 0.686 12.552 ( 0.000 0.686 0.000) 0.686 13.038 ( 0.000 -8.367 0.000) 8.367 13.038 ( 0.000 8.367 0.000) 8.367 13.975 ( 0.000 -7.665 0.000) 7.665 13.975 ( 0.000 7.665 0.000) 7.665 14.224 ( 0.000 -7.236 0.000) 7.236 14.224 ( 0.000 7.236 0.000) 7.236 14.857 ( 0.000 -1.789 0.000) 1.789 14.857 ( 0.000 1.789 0.000) 1.789 15.094 ( 0.000 -4.972 0.000) 4.972 15.094 ( 0.000 4.972 0.000) 4.972 15.856 ( 0.000 -4.897 0.000) 4.897 15.856 ( 0.000 4.897 0.000) 4.897 16.173 ( 0.000 -0.915 0.000) 0.915 16.173 ( 0.000 0.915 0.000) 0.915 16.494 ( 0.000 -4.578 0.000) 4.578 16.494 ( 0.000 4.578 0.000) 4.578 17.118 ( 0.000 -1.034 0.000) 1.034 17.118 ( 0.000 1.034 0.000) 1.034 17.458 ( 0.000 -1.845 0.000) 1.845 17.458 ( 0.000 1.845 0.000) 1.845 18.003 ( 0.000 -8.292 0.000) 8.292 18.003 ( 0.000 8.292 0.000) 8.292 18.594 ( 0.000 -7.573 0.000) 7.573 18.594 ( 0.000 7.573 0.000) 7.573 18.948 ( 0.000 -2.416 0.000) 2.416 18.948 ( 0.000 2.416 0.000) 2.416 19.127 ( 0.000 -1.209 0.000) 1.209 19.127 ( 0.000 1.209 0.000) 1.209 19.670 ( 0.000 -7.094 0.000) 7.094 19.670 ( 0.000 7.094 0.000) 7.094 20.268 ( 0.000 -6.462 0.000) 6.462 20.268 ( 0.000 6.462 0.000) 6.462 20.766 ( 0.000 -6.483 0.000) 6.483 20.766 ( 0.000 6.483 0.000) 6.483 21.235 ( 0.000 -1.490 0.000) 1.490 21.235 ( 0.000 1.490 0.000) 1.490 21.580 ( 0.000 -3.272 0.000) 3.272 21.580 ( 0.000 3.272 0.000) 3.272 22.234 ( 0.000 -4.242 0.000) 4.242 22.234 ( 0.000 4.242 0.000) 4.242 ======================= Grid point 35 (20/72) ======================= q-point: ( 0.10 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( 6.112 -20.126 0.000) 21.034 1.516 ( 6.112 20.126 0.000) 21.034 1.676 ( 5.986 -24.521 0.000) 25.241 1.676 ( 5.986 24.521 0.000) 25.241 2.562 ( 0.361 -6.201 0.000) 6.212 2.562 ( 0.361 6.201 0.000) 6.212 2.741 ( 3.323 -2.861 0.000) 4.385 2.741 ( 3.323 2.861 0.000) 4.385 2.856 ( 6.339 -17.373 0.000) 18.493 2.856 ( 6.339 17.373 0.000) 18.493 3.002 ( -2.339 -1.799 0.000) 2.951 3.002 ( -2.339 1.799 0.000) 2.951 3.260 ( 3.332 -8.812 0.000) 9.421 3.260 ( 3.332 8.812 0.000) 9.421 3.481 ( -0.667 -3.063 0.000) 3.135 3.481 ( -0.667 3.063 0.000) 3.135 3.678 ( -0.624 -5.329 0.000) 5.366 3.678 ( -0.624 5.329 0.000) 5.366 3.861 ( 0.617 -12.575 0.000) 12.590 3.861 ( 0.617 12.575 0.000) 12.590 4.068 ( -4.983 -3.869 0.000) 6.309 4.068 ( -4.983 3.869 0.000) 6.309 4.506 ( -1.055 -1.714 0.000) 2.013 4.506 ( -1.055 1.714 0.000) 2.013 4.918 ( 0.540 -9.567 0.000) 9.582 4.918 ( 0.540 9.567 0.000) 9.582 5.251 ( -5.735 -4.006 0.000) 6.996 5.251 ( -5.735 4.006 0.000) 6.996 5.475 ( -0.209 -4.024 0.000) 4.029 5.475 ( -0.209 4.024 0.000) 4.029 5.512 ( 4.241 -7.474 0.000) 8.594 5.512 ( 4.241 7.474 0.000) 8.594 5.694 ( 2.612 -7.652 0.000) 8.085 5.694 ( 2.612 7.652 0.000) 8.085 5.982 ( 2.831 -1.845 0.000) 3.379 5.982 ( 2.831 1.845 0.000) 3.379 6.116 ( -1.004 -4.234 0.000) 4.351 6.116 ( -1.004 4.234 0.000) 4.351 6.273 ( -2.149 -4.493 0.000) 4.981 6.273 ( -2.149 4.493 0.000) 4.981 7.353 ( -1.333 -3.255 0.000) 3.518 7.353 ( -1.333 3.255 0.000) 3.518 7.715 ( -0.789 -2.487 0.000) 2.609 7.715 ( -0.789 2.487 0.000) 2.609 7.883 ( 0.420 -4.205 0.000) 4.226 7.883 ( 0.420 4.205 0.000) 4.226 8.114 ( 0.569 -6.098 0.000) 6.124 8.114 ( 0.569 6.098 0.000) 6.124 8.619 ( -2.919 -9.848 0.000) 10.271 8.619 ( -2.919 9.848 0.000) 10.271 8.961 ( -8.370 -3.933 0.000) 9.248 8.961 ( -8.370 3.933 0.000) 9.248 9.526 ( -0.344 -3.139 0.000) 3.158 9.526 ( -0.344 3.139 0.000) 3.158 9.774 ( 4.890 -0.950 0.000) 4.982 9.774 ( 4.890 0.950 0.000) 4.982 10.098 ( 5.229 -4.417 0.000) 6.845 10.098 ( 5.229 4.417 0.000) 6.845 10.181 ( 1.523 -3.457 0.000) 3.778 10.181 ( 1.523 3.457 0.000) 3.778 11.017 ( 5.668 -1.733 0.000) 5.927 11.017 ( 5.668 1.733 0.000) 5.927 11.220 ( 9.146 -4.624 0.000) 10.248 11.220 ( 9.146 4.624 0.000) 10.248 12.155 ( -0.055 -3.975 0.000) 3.976 12.155 ( -0.055 3.975 0.000) 3.976 12.568 ( 1.537 -0.694 0.000) 1.686 12.568 ( 1.537 0.694 0.000) 1.686 13.075 ( 3.692 -8.442 0.000) 9.214 13.075 ( 3.692 8.442 0.000) 9.214 13.859 ( -10.812 -6.317 0.000) 12.523 13.859 ( -10.812 6.317 0.000) 12.523 14.240 ( 1.290 -4.902 0.000) 5.069 14.240 ( 1.290 4.902 0.000) 5.069 14.780 ( -6.671 -2.427 0.000) 7.099 14.780 ( -6.671 2.427 0.000) 7.099 15.085 ( -1.447 -4.136 0.000) 4.382 15.085 ( -1.447 4.136 0.000) 4.382 15.828 ( -3.219 -7.450 0.000) 8.116 15.828 ( -3.219 7.450 0.000) 8.116 16.177 ( 0.281 -4.076 0.000) 4.086 16.177 ( 0.281 4.076 0.000) 4.086 16.528 ( 3.353 -5.122 0.000) 6.122 16.528 ( 3.353 5.122 0.000) 6.122 17.158 ( 4.196 -1.802 0.000) 4.567 17.158 ( 4.196 1.802 0.000) 4.567 17.521 ( 5.721 -4.190 0.000) 7.091 17.521 ( 5.721 4.190 0.000) 7.091 18.033 ( 3.030 -8.292 0.000) 8.829 18.033 ( 3.030 8.292 0.000) 8.829 18.582 ( -1.653 -7.174 0.000) 7.362 18.582 ( -1.653 7.174 0.000) 7.362 18.901 ( -3.310 -3.490 0.000) 4.810 18.901 ( -3.310 3.490 0.000) 4.810 19.095 ( -3.297 -4.361 0.000) 5.467 19.095 ( -3.297 4.361 0.000) 5.467 19.713 ( 3.841 -6.602 0.000) 7.639 19.713 ( 3.841 6.602 0.000) 7.639 20.259 ( -0.751 -6.958 0.000) 6.998 20.259 ( -0.751 6.958 0.000) 6.998 20.769 ( 0.327 -6.488 0.000) 6.496 20.769 ( 0.327 6.488 0.000) 6.496 21.193 ( -4.166 -3.148 0.000) 5.222 21.193 ( -4.166 3.148 0.000) 5.222 21.578 ( 0.108 -3.110 0.000) 3.112 21.578 ( 0.108 3.110 0.000) 3.112 22.232 ( -0.601 -5.556 0.000) 5.588 22.232 ( -0.601 5.556 0.000) 5.588 ======================= Grid point 37 (21/72) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( 8.828 -15.414 0.000) 17.763 1.659 ( 8.828 15.414 0.000) 17.763 1.841 ( 10.884 -17.126 0.000) 20.292 1.841 ( 10.884 17.126 0.000) 20.292 2.563 ( -1.368 -1.226 0.000) 1.838 2.563 ( -1.368 1.226 0.000) 1.838 2.781 ( 1.015 -2.212 0.000) 2.434 2.781 ( 1.015 2.212 0.000) 2.434 2.958 ( 0.696 -1.011 0.000) 1.227 2.958 ( 0.696 1.011 0.000) 1.227 3.022 ( 7.572 -11.266 0.000) 13.575 3.022 ( 7.572 11.266 0.000) 13.575 3.284 ( -2.473 -5.553 0.000) 6.079 3.284 ( -2.473 5.553 0.000) 6.079 3.501 ( 2.704 -3.523 0.000) 4.442 3.501 ( 2.704 3.523 0.000) 4.442 3.663 ( -1.057 -5.655 0.000) 5.753 3.663 ( -1.057 5.655 0.000) 5.753 3.843 ( -2.570 -8.254 0.000) 8.645 3.843 ( -2.570 8.254 0.000) 8.645 4.006 ( 0.368 -7.799 0.000) 7.808 4.006 ( 0.368 7.799 0.000) 7.808 4.476 ( -1.845 -3.339 0.000) 3.815 4.476 ( -1.845 3.339 0.000) 3.815 4.928 ( 0.284 -11.842 0.000) 11.845 4.928 ( 0.284 11.842 0.000) 11.845 5.128 ( -6.556 -5.117 0.000) 8.317 5.128 ( -6.556 5.117 0.000) 8.317 5.450 ( -1.488 -1.446 0.000) 2.075 5.450 ( -1.488 1.446 0.000) 2.075 5.591 ( 3.452 -8.277 0.000) 8.968 5.591 ( 3.452 8.277 0.000) 8.968 5.806 ( 7.548 -7.977 0.000) 10.982 5.806 ( 7.548 7.977 0.000) 10.982 5.992 ( -1.904 -2.702 0.000) 3.305 5.992 ( -1.904 2.702 0.000) 3.305 6.101 ( -0.190 -6.883 0.000) 6.886 6.101 ( -0.190 6.883 0.000) 6.886 6.232 ( -1.816 -4.477 0.000) 4.832 6.232 ( -1.816 4.477 0.000) 4.832 7.340 ( 0.379 -4.234 0.000) 4.251 7.340 ( 0.379 4.234 0.000) 4.251 7.695 ( -1.166 -2.022 0.000) 2.334 7.695 ( -1.166 2.022 0.000) 2.334 7.886 ( -0.462 -5.637 0.000) 5.656 7.886 ( -0.462 5.637 0.000) 5.656 8.115 ( -1.017 -6.723 0.000) 6.800 8.115 ( -1.017 6.723 0.000) 6.800 8.541 ( -4.600 -7.626 0.000) 8.906 8.541 ( -4.600 7.626 0.000) 8.906 8.821 ( -5.711 -4.971 0.000) 7.571 8.821 ( -5.711 4.971 0.000) 7.571 9.552 ( 2.609 -2.915 0.000) 3.911 9.552 ( 2.609 2.915 0.000) 3.911 9.822 ( 0.699 -2.542 0.000) 2.637 9.822 ( 0.699 2.542 0.000) 2.637 10.164 ( 1.911 -2.251 0.000) 2.953 10.164 ( 1.911 2.251 0.000) 2.953 10.273 ( 6.962 -3.347 0.000) 7.725 10.273 ( 6.962 3.347 0.000) 7.725 11.151 ( 7.632 -1.471 0.000) 7.773 11.151 ( 7.632 1.471 0.000) 7.773 11.409 ( 9.211 -3.117 0.000) 9.724 11.409 ( 9.211 3.117 0.000) 9.724 12.173 ( 2.382 -3.288 0.000) 4.060 12.173 ( 2.382 3.288 0.000) 4.060 12.604 ( 2.045 -0.917 0.000) 2.241 12.604 ( 2.045 0.917 0.000) 2.241 13.164 ( 5.032 -8.926 0.000) 10.247 13.164 ( 5.032 8.926 0.000) 10.247 13.626 ( -12.140 -4.706 0.000) 13.020 13.626 ( -12.140 4.706 0.000) 13.020 14.265 ( 1.238 -3.683 0.000) 3.886 14.265 ( 1.238 3.683 0.000) 3.886 14.647 ( -6.693 -2.946 0.000) 7.313 14.647 ( -6.693 2.946 0.000) 7.313 15.036 ( -3.374 -4.103 0.000) 5.313 15.036 ( -3.374 4.103 0.000) 5.313 15.721 ( -8.009 -9.740 0.000) 12.610 15.721 ( -8.009 9.740 0.000) 12.610 16.194 ( 1.970 -2.477 0.000) 3.165 16.194 ( 1.970 2.477 0.000) 3.165 16.614 ( 5.228 -6.451 0.000) 8.303 16.614 ( 5.228 6.451 0.000) 8.303 17.260 ( 5.991 -2.739 0.000) 6.587 17.260 ( 5.991 2.739 0.000) 6.587 17.635 ( 5.367 -4.621 0.000) 7.082 17.635 ( 5.367 4.621 0.000) 7.082 18.104 ( 3.993 -8.561 0.000) 9.447 18.104 ( 3.993 8.561 0.000) 9.447 18.520 ( -4.478 -6.428 0.000) 7.834 18.520 ( -4.478 6.428 0.000) 7.834 18.866 ( -0.530 -5.392 0.000) 5.418 18.866 ( -0.530 5.392 0.000) 5.418 19.024 ( -3.278 -5.248 0.000) 6.188 19.024 ( -3.278 5.248 0.000) 6.188 19.785 ( 3.215 -7.215 0.000) 7.899 19.785 ( 3.215 7.215 0.000) 7.899 20.243 ( -0.989 -8.239 0.000) 8.298 20.243 ( -0.989 8.239 0.000) 8.298 20.777 ( 0.431 -6.282 0.000) 6.297 20.777 ( 0.431 6.282 0.000) 6.297 21.092 ( -5.831 -4.444 0.000) 7.331 21.092 ( -5.831 4.444 0.000) 7.331 21.593 ( 1.544 -3.305 0.000) 3.648 21.593 ( 1.544 3.305 0.000) 3.648 22.199 ( -2.929 -5.884 0.000) 6.573 22.199 ( -2.929 5.884 0.000) 6.573 ======================= Grid point 39 (22/72) ======================= q-point: ( 0.30 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( 11.924 -8.325 0.000) 14.542 1.858 ( 11.924 8.325 0.000) 14.542 2.054 ( 10.071 -8.768 0.000) 13.353 2.054 ( 10.071 8.768 0.000) 13.353 2.508 ( -2.798 -4.926 0.000) 5.665 2.508 ( -2.798 4.926 0.000) 5.665 2.806 ( 1.016 -2.776 0.000) 2.956 2.806 ( 1.016 2.776 0.000) 2.956 2.962 ( 0.405 -1.266 0.000) 1.329 2.962 ( 0.405 1.266 0.000) 1.329 3.122 ( -2.400 -2.075 0.000) 3.172 3.122 ( -2.400 2.075 0.000) 3.172 3.189 ( -3.601 -2.447 0.000) 4.353 3.189 ( -3.601 2.447 0.000) 4.353 3.533 ( 0.764 -4.882 0.000) 4.942 3.533 ( 0.764 4.882 0.000) 4.942 3.625 ( -2.804 -5.422 0.000) 6.104 3.625 ( -2.804 5.422 0.000) 6.104 3.812 ( -0.670 -4.789 0.000) 4.835 3.812 ( -0.670 4.789 0.000) 4.835 4.091 ( 7.849 -10.354 0.000) 12.993 4.091 ( 7.849 10.354 0.000) 12.993 4.455 ( 0.015 -4.501 0.000) 4.501 4.455 ( 0.015 4.501 0.000) 4.501 4.912 ( -2.259 -12.263 0.000) 12.469 4.912 ( -2.259 12.263 0.000) 12.469 5.026 ( -3.901 -6.800 0.000) 7.839 5.026 ( -3.901 6.800 0.000) 7.839 5.434 ( 0.055 -3.302 0.000) 3.302 5.434 ( 0.055 3.302 0.000) 3.302 5.622 ( -0.906 -6.516 0.000) 6.579 5.622 ( -0.906 6.516 0.000) 6.579 5.903 ( 0.758 -3.799 0.000) 3.874 5.903 ( 0.758 3.799 0.000) 3.874 5.987 ( 4.057 -4.607 0.000) 6.139 5.987 ( 4.057 4.607 0.000) 6.139 6.105 ( 0.625 -5.247 0.000) 5.284 6.105 ( 0.625 5.247 0.000) 5.284 6.204 ( -1.271 -4.446 0.000) 4.624 6.204 ( -1.271 4.446 0.000) 4.624 7.376 ( 3.433 -4.413 0.000) 5.591 7.376 ( 3.433 4.413 0.000) 5.591 7.673 ( -1.211 -2.370 0.000) 2.662 7.673 ( -1.211 2.370 0.000) 2.662 7.857 ( -2.508 -7.183 0.000) 7.608 7.857 ( -2.508 7.183 0.000) 7.608 8.052 ( -5.648 -6.254 0.000) 8.427 8.052 ( -5.648 6.254 0.000) 8.427 8.487 ( -0.381 -7.545 0.000) 7.555 8.487 ( -0.381 7.545 0.000) 7.555 8.741 ( -3.066 -4.469 0.000) 5.420 8.741 ( -3.066 4.469 0.000) 5.420 9.609 ( 3.091 -2.052 0.000) 3.710 9.609 ( 3.091 2.052 0.000) 3.710 9.820 ( -0.708 -3.395 0.000) 3.468 9.820 ( -0.708 3.395 0.000) 3.468 10.194 ( 1.399 -2.423 0.000) 2.798 10.194 ( 1.399 2.423 0.000) 2.798 10.400 ( 5.957 -2.086 0.000) 6.311 10.400 ( 5.957 2.086 0.000) 6.311 11.281 ( 5.500 -1.969 0.000) 5.842 11.281 ( 5.500 1.969 0.000) 5.842 11.537 ( 4.159 -3.588 0.000) 5.493 11.537 ( 4.159 3.588 0.000) 5.493 12.249 ( 5.246 -2.687 0.000) 5.894 12.249 ( 5.246 2.687 0.000) 5.894 12.636 ( 0.956 -1.927 0.000) 2.151 12.636 ( 0.956 1.927 0.000) 2.151 13.244 ( 2.957 -10.123 0.000) 10.546 13.244 ( 2.957 10.123 0.000) 10.546 13.442 ( -6.337 -8.460 0.000) 10.570 13.442 ( -6.337 8.460 0.000) 10.570 14.283 ( 0.596 -2.557 0.000) 2.626 14.283 ( 0.596 2.557 0.000) 2.626 14.541 ( -4.257 -3.054 0.000) 5.239 14.541 ( -4.257 3.054 0.000) 5.239 14.974 ( -2.563 -4.306 0.000) 5.011 14.974 ( -2.563 4.306 0.000) 5.011 15.541 ( -10.129 -8.385 0.000) 13.150 15.541 ( -10.129 8.385 0.000) 13.150 16.254 ( 4.050 -1.487 0.000) 4.314 16.254 ( 4.050 1.487 0.000) 4.314 16.703 ( 3.579 -7.464 0.000) 8.278 16.703 ( 3.579 7.464 0.000) 8.278 17.376 ( 6.190 -1.402 0.000) 6.347 17.376 ( 6.190 1.402 0.000) 6.347 17.701 ( 1.161 -1.422 0.000) 1.835 17.701 ( 1.161 1.422 0.000) 1.835 18.184 ( 4.611 -8.224 0.000) 9.429 18.184 ( 4.611 8.224 0.000) 9.429 18.441 ( -3.245 -7.793 0.000) 8.441 18.441 ( -3.245 7.793 0.000) 8.441 18.856 ( -0.717 -4.985 0.000) 5.036 18.856 ( -0.717 4.985 0.000) 5.036 18.987 ( -1.035 -2.364 0.000) 2.580 18.987 ( -1.035 2.364 0.000) 2.580 19.838 ( 2.779 -9.022 0.000) 9.440 19.838 ( 2.779 9.022 0.000) 9.440 20.211 ( -2.734 -9.751 0.000) 10.127 20.211 ( -2.734 9.751 0.000) 10.127 20.784 ( 0.293 -5.398 0.000) 5.406 20.784 ( 0.293 5.398 0.000) 5.406 20.990 ( -4.540 -3.167 0.000) 5.536 20.990 ( -4.540 3.167 0.000) 5.536 21.634 ( 2.675 -3.136 0.000) 4.122 21.634 ( 2.675 3.136 0.000) 4.122 22.125 ( -4.648 -4.893 0.000) 6.748 22.125 ( -4.648 4.893 0.000) 6.748 ======================= Grid point 41 (23/72) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( 6.941 -0.546 0.000) 6.962 2.070 ( 6.941 0.546 0.000) 6.962 2.190 ( 6.741 -5.394 0.000) 8.634 2.190 ( 6.741 5.394 0.000) 8.634 2.530 ( 4.953 -3.425 0.000) 6.022 2.530 ( 4.953 3.425 0.000) 6.022 2.772 ( -5.196 -1.327 0.000) 5.363 2.772 ( -5.196 1.327 0.000) 5.363 2.928 ( -4.607 -2.989 0.000) 5.492 2.928 ( -4.607 2.989 0.000) 5.492 3.064 ( 1.033 -3.755 0.000) 3.894 3.064 ( 1.033 3.755 0.000) 3.894 3.119 ( -4.082 -1.360 0.000) 4.303 3.119 ( -4.082 1.360 0.000) 4.303 3.486 ( -6.090 -3.677 0.000) 7.114 3.486 ( -6.090 3.677 0.000) 7.114 3.638 ( 4.099 -7.033 0.000) 8.140 3.638 ( 4.099 7.033 0.000) 8.140 3.792 ( -1.544 -3.531 0.000) 3.854 3.792 ( -1.544 3.531 0.000) 3.854 4.261 ( 9.026 -5.059 0.000) 10.347 4.261 ( 9.026 5.059 0.000) 10.347 4.468 ( 0.290 -4.169 0.000) 4.179 4.468 ( 0.290 4.169 0.000) 4.179 4.865 ( -1.750 -5.535 0.000) 5.805 4.865 ( -1.750 5.535 0.000) 5.805 4.960 ( -3.399 -5.292 0.000) 6.289 4.960 ( -3.399 5.292 0.000) 6.289 5.453 ( 1.782 -5.158 0.000) 5.457 5.453 ( 1.782 5.158 0.000) 5.457 5.567 ( -3.818 -5.866 0.000) 7.000 5.567 ( -3.818 5.866 0.000) 7.000 5.911 ( 0.680 -4.350 0.000) 4.403 5.911 ( 0.680 4.350 0.000) 4.403 6.065 ( 2.724 -7.686 0.000) 8.154 6.065 ( 2.724 7.686 0.000) 8.154 6.128 ( 1.771 -1.837 0.000) 2.552 6.128 ( 1.771 1.837 0.000) 2.552 6.182 ( -1.046 -3.443 0.000) 3.599 6.182 ( -1.046 3.443 0.000) 3.599 7.463 ( 5.316 -5.125 0.000) 7.384 7.463 ( 5.316 5.125 0.000) 7.384 7.640 ( -2.530 -3.515 0.000) 4.331 7.640 ( -2.530 3.515 0.000) 4.331 7.801 ( -2.922 -6.769 0.000) 7.373 7.801 ( -2.922 6.769 0.000) 7.373 7.933 ( -5.540 -3.799 0.000) 6.717 7.933 ( -5.540 3.799 0.000) 6.717 8.516 ( 2.646 -6.138 0.000) 6.684 8.516 ( 2.646 6.138 0.000) 6.684 8.693 ( -2.185 -3.677 0.000) 4.277 8.693 ( -2.185 3.677 0.000) 4.277 9.669 ( 3.210 -2.154 0.000) 3.865 9.669 ( 3.210 2.154 0.000) 3.865 9.793 ( -2.242 -3.624 0.000) 4.262 9.793 ( -2.242 3.624 0.000) 4.262 10.218 ( 1.005 -1.672 0.000) 1.950 10.218 ( 1.005 1.672 0.000) 1.950 10.490 ( 3.382 -0.967 0.000) 3.518 10.490 ( 3.382 0.967 0.000) 3.518 11.355 ( 2.314 -1.278 0.000) 2.643 11.355 ( 2.314 1.278 0.000) 2.643 11.580 ( 0.868 -2.155 0.000) 2.324 11.580 ( 0.868 2.155 0.000) 2.324 12.351 ( 4.822 -2.167 0.000) 5.286 12.351 ( 4.822 2.167 0.000) 5.286 12.631 ( -1.349 -3.226 0.000) 3.496 12.631 ( -1.349 3.226 0.000) 3.496 13.282 ( 1.773 -9.923 0.000) 10.081 13.282 ( 1.773 9.924 0.000) 10.081 13.378 ( -1.606 -10.258 0.000) 10.383 13.378 ( -1.606 10.258 0.000) 10.383 14.291 ( 0.468 -1.362 0.000) 1.440 14.291 ( 0.468 1.362 0.000) 1.440 14.478 ( -2.654 -1.740 0.000) 3.174 14.478 ( -2.654 1.740 0.000) 3.174 14.956 ( 0.675 -3.157 0.000) 3.228 14.956 ( 0.675 3.157 0.000) 3.228 15.362 ( -8.019 -5.648 0.000) 9.808 15.362 ( -8.019 5.648 0.000) 9.808 16.330 ( 3.393 -0.955 0.000) 3.525 16.330 ( 3.393 0.955 0.000) 3.525 16.743 ( 0.836 -5.161 0.000) 5.228 16.743 ( 0.836 5.161 0.000) 5.228 17.495 ( 6.083 -2.965 0.000) 6.767 17.495 ( 6.083 2.965 0.000) 6.767 17.680 ( -2.957 -4.277 0.000) 5.199 17.680 ( -2.957 4.277 0.000) 5.199 18.267 ( 3.373 -7.963 0.000) 8.648 18.267 ( 3.373 7.963 0.000) 8.648 18.408 ( -0.225 -9.512 0.000) 9.515 18.408 ( -0.225 9.512 0.000) 9.515 18.852 ( 0.815 -3.638 0.000) 3.728 18.852 ( 0.815 3.638 0.000) 3.728 18.957 ( -2.513 -0.807 0.000) 2.639 18.957 ( -2.513 0.807 0.000) 2.639 19.903 ( 4.130 -9.839 0.000) 10.670 19.903 ( 4.130 9.839 0.000) 10.670 20.136 ( -4.967 -10.712 0.000) 11.807 20.136 ( -4.967 10.712 0.000) 11.807 20.788 ( 0.163 -3.255 0.000) 3.259 20.788 ( 0.163 3.255 0.000) 3.259 20.927 ( -2.057 -1.237 0.000) 2.401 20.927 ( -2.057 1.237 0.000) 2.401 21.688 ( 2.707 -2.106 0.000) 3.430 21.688 ( 2.707 2.106 0.000) 3.430 22.036 ( -4.149 -3.189 0.000) 5.233 22.036 ( -4.149 3.189 0.000) 5.233 ======================= Grid point 43 (24/72) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( 0.000 -0.000 0.000) 0.000 2.102 ( 0.000 0.000 0.000) 0.000 2.317 ( 0.000 0.000 0.000) 0.000 2.317 ( 0.000 0.000 0.000) 0.000 2.590 ( 0.000 0.000 0.000) 0.000 2.590 ( 0.000 0.000 0.000) 0.000 2.679 ( 0.000 -0.000 0.000) 0.000 2.679 ( 0.000 0.000 0.000) 0.000 2.921 ( 0.000 0.000 0.000) 0.000 2.921 ( 0.000 0.000 0.000) 0.000 2.979 ( -0.000 0.000 0.000) 0.000 2.979 ( 0.000 0.000 0.000) 0.000 3.157 ( 0.000 0.000 0.000) 0.000 3.157 ( 0.000 0.000 0.000) 0.000 3.397 ( 0.000 0.000 0.000) 0.000 3.397 ( 0.000 0.000 0.000) 0.000 3.694 ( 0.000 0.000 0.000) 0.000 3.694 ( 0.000 0.000 0.000) 0.000 3.766 ( -0.000 -0.000 0.000) 0.000 3.766 ( 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 4.432 ( 0.000 -0.000 0.000) 0.000 4.432 ( -0.000 0.000 0.000) 0.000 4.855 ( 0.000 -0.000 0.000) 0.000 4.855 ( 0.000 0.000 0.000) 0.000 4.916 ( 0.000 -0.000 0.000) 0.000 4.916 ( 0.000 0.000 0.000) 0.000 5.492 ( 0.000 -0.000 0.000) 0.000 5.492 ( 0.000 0.000 0.000) 0.000 5.508 ( 0.000 -0.000 0.000) 0.000 5.508 ( 0.000 0.000 0.000) 0.000 5.919 ( 0.000 -0.000 0.000) 0.000 5.919 ( 0.000 0.000 0.000) 0.000 6.089 ( 0.000 -0.000 0.000) 0.000 6.089 ( 0.000 0.000 0.000) 0.000 6.159 ( -0.000 0.000 0.000) 0.000 6.159 ( 0.000 0.000 0.000) 0.000 6.162 ( -0.000 -0.000 0.000) 0.000 6.162 ( 0.000 -0.000 0.000) 0.000 7.548 ( -0.000 -0.000 0.000) 0.000 7.548 ( 0.000 -0.000 0.000) 0.000 7.585 ( 0.000 0.000 0.000) 0.000 7.585 ( -0.000 0.000 0.000) 0.000 7.767 ( 0.000 -0.000 0.000) 0.000 7.767 ( 0.000 0.000 0.000) 0.000 7.878 ( 0.000 -0.000 0.000) 0.000 7.878 ( 0.000 0.000 0.000) 0.000 8.551 ( 0.000 0.000 0.000) 0.000 8.551 ( 0.000 0.000 0.000) 0.000 8.666 ( 0.000 -0.000 0.000) 0.000 8.666 ( 0.000 0.000 0.000) 0.000 9.721 ( 0.000 -0.000 0.000) 0.000 9.721 ( 0.000 0.000 0.000) 0.000 9.748 ( -0.000 -0.000 0.000) 0.000 9.748 ( 0.000 0.000 0.000) 0.000 10.228 ( 0.000 0.000 0.000) 0.000 10.228 ( 0.000 0.000 0.000) 0.000 10.523 ( 0.000 0.000 0.000) 0.000 10.523 ( 0.000 0.000 0.000) 0.000 11.375 ( 0.000 -0.000 0.000) 0.000 11.375 ( 0.000 0.000 0.000) 0.000 11.586 ( 0.000 -0.000 0.000) 0.000 11.586 ( 0.000 0.000 0.000) 0.000 12.404 ( 0.000 0.000 0.000) 0.000 12.404 ( 0.000 0.000 0.000) 0.000 12.610 ( 0.000 -0.000 0.000) 0.000 12.610 ( 0.000 0.000 0.000) 0.000 13.310 ( 0.000 -0.000 0.000) 0.000 13.310 ( 0.000 0.000 0.000) 0.000 13.357 ( 0.000 -0.000 0.000) 0.000 13.357 ( 0.000 0.000 0.000) 0.000 14.299 ( 0.000 -0.000 0.000) 0.000 14.299 ( 0.000 0.000 0.000) 0.000 14.447 ( 0.000 0.000 0.000) 0.000 14.447 ( 0.000 0.000 0.000) 0.000 14.973 ( 0.000 0.000 0.000) 0.000 14.973 ( 0.000 0.000 0.000) 0.000 15.274 ( 0.000 0.000 0.000) 0.000 15.274 ( 0.000 0.000 0.000) 0.000 16.365 ( 0.000 0.000 0.000) 0.000 16.365 ( 0.000 0.000 0.000) 0.000 16.748 ( 0.000 0.000 0.000) 0.000 16.748 ( 0.000 0.000 0.000) 0.000 17.594 ( -0.000 0.000 0.000) 0.000 17.594 ( 0.000 0.000 0.000) 0.000 17.609 ( -0.000 -0.000 0.000) 0.000 17.609 ( -0.000 0.000 0.000) 0.000 18.298 ( 0.000 -0.000 0.000) 0.000 18.298 ( 0.000 0.000 0.000) 0.000 18.412 ( -0.000 0.000 0.000) 0.000 18.412 ( 0.000 0.000 0.000) 0.000 18.892 ( -0.000 -0.000 0.000) 0.000 18.892 ( 0.000 0.000 0.000) 0.000 18.899 ( -0.000 -0.000 0.000) 0.000 18.899 ( 0.000 -0.000 0.000) 0.000 19.969 ( -0.000 0.000 0.000) 0.000 19.969 ( 0.000 0.000 0.000) 0.000 20.060 ( 0.000 -0.000 0.000) 0.000 20.060 ( 0.000 -0.000 0.000) 0.000 20.790 ( 0.000 0.000 0.000) 0.000 20.790 ( 0.000 0.000 0.000) 0.000 20.908 ( 0.000 0.000 0.000) 0.000 20.908 ( 0.000 0.000 0.000) 0.000 21.719 ( 0.000 0.000 0.000) 0.000 21.719 ( 0.000 0.000 0.000) 0.000 21.991 ( 0.000 0.000 0.000) 0.000 21.991 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 77 (25/72) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.555 ( 0.000 0.000 27.289) 27.289 0.625 ( 0.000 0.000 30.328) 30.328 1.098 ( 0.000 0.000 52.892) 52.892 2.011 ( 0.000 0.000 -16.912) 16.912 2.246 ( 0.000 0.000 -17.213) 17.213 2.379 ( 0.000 0.000 11.544) 11.544 2.596 ( 0.000 0.000 2.458) 2.458 2.753 ( 0.000 0.000 1.638) 1.638 2.901 ( 0.000 0.000 -0.373) 0.373 3.009 ( 0.000 0.000 5.754) 5.754 3.129 ( 0.000 0.000 -0.683) 0.683 3.204 ( 0.000 0.000 -2.854) 2.854 3.319 ( 0.000 0.000 5.863) 5.863 3.359 ( 0.000 0.000 -2.701) 2.701 3.453 ( 0.000 0.000 5.980) 5.980 3.534 ( 0.000 0.000 -1.842) 1.842 3.577 ( 0.000 0.000 -0.840) 0.840 3.802 ( 0.000 0.000 4.655) 4.655 3.810 ( 0.000 0.000 -13.186) 13.186 4.104 ( 0.000 0.000 -3.057) 3.057 4.112 ( 0.000 0.000 -7.726) 7.726 4.337 ( 0.000 0.000 -13.919) 13.919 4.515 ( 0.000 0.000 2.601) 2.601 4.654 ( 0.000 0.000 -1.115) 1.115 4.676 ( 0.000 0.000 2.887) 2.887 4.951 ( 0.000 0.000 1.726) 1.726 5.013 ( 0.000 0.000 -7.255) 7.255 5.052 ( 0.000 0.000 2.009) 2.009 5.176 ( 0.000 0.000 -3.666) 3.666 5.337 ( 0.000 0.000 0.925) 0.925 5.481 ( 0.000 0.000 -2.907) 2.907 5.528 ( 0.000 0.000 5.221) 5.221 5.607 ( 0.000 0.000 -0.997) 0.997 5.680 ( 0.000 0.000 7.949) 7.949 5.835 ( 0.000 0.000 3.396) 3.396 5.924 ( 0.000 0.000 0.125) 0.125 6.075 ( 0.000 0.000 -1.032) 1.032 6.131 ( 0.000 0.000 -6.860) 6.860 6.481 ( 0.000 0.000 8.045) 8.045 6.678 ( 0.000 0.000 0.046) 0.046 7.279 ( 0.000 0.000 0.654) 0.654 7.374 ( 0.000 0.000 -1.807) 1.807 7.733 ( 0.000 0.000 1.553) 1.553 7.801 ( 0.000 0.000 -1.354) 1.354 7.895 ( 0.000 0.000 -2.606) 2.606 7.995 ( 0.000 0.000 -0.985) 0.985 8.126 ( 0.000 0.000 5.944) 5.944 8.254 ( 0.000 0.000 1.330) 1.330 8.706 ( 0.000 0.000 -2.053) 2.053 8.712 ( 0.000 0.000 -2.547) 2.547 9.105 ( 0.000 0.000 1.533) 1.533 9.156 ( 0.000 0.000 0.984) 0.984 9.476 ( 0.000 0.000 2.552) 2.552 9.581 ( 0.000 0.000 0.825) 0.825 9.640 ( 0.000 0.000 1.664) 1.664 9.752 ( 0.000 0.000 -0.342) 0.342 9.988 ( 0.000 0.000 -0.452) 0.452 9.997 ( 0.000 0.000 -1.542) 1.542 10.132 ( 0.000 0.000 -2.831) 2.831 10.228 ( 0.000 0.000 -3.700) 3.700 10.520 ( 0.000 0.000 2.861) 2.861 10.693 ( 0.000 0.000 -1.598) 1.598 11.199 ( 0.000 0.000 2.573) 2.573 11.490 ( 0.000 0.000 -4.528) 4.528 12.361 ( 0.000 0.000 6.067) 6.067 12.482 ( 0.000 0.000 1.090) 1.090 12.564 ( 0.000 0.000 0.861) 0.861 12.597 ( 0.000 0.000 -1.156) 1.156 13.313 ( 0.000 0.000 -1.625) 1.625 13.361 ( 0.000 0.000 -2.492) 2.492 13.583 ( 0.000 0.000 0.508) 0.508 13.713 ( 0.000 0.000 -3.902) 3.902 14.328 ( 0.000 0.000 0.640) 0.640 14.401 ( 0.000 0.000 -2.084) 2.084 14.667 ( 0.000 0.000 9.490) 9.490 14.819 ( 0.000 0.000 1.227) 1.227 14.868 ( 0.000 0.000 -0.873) 0.873 15.125 ( 0.000 0.000 -1.633) 1.633 15.688 ( 0.000 0.000 2.498) 2.498 15.886 ( 0.000 0.000 -2.449) 2.449 16.249 ( 0.000 0.000 -2.550) 2.550 16.294 ( 0.000 0.000 -5.609) 5.609 16.773 ( 0.000 0.000 4.451) 4.451 16.853 ( 0.000 0.000 -1.173) 1.173 16.881 ( 0.000 0.000 2.356) 2.356 17.046 ( 0.000 0.000 0.483) 0.483 17.682 ( 0.000 0.000 0.681) 0.681 17.763 ( 0.000 0.000 -1.272) 1.272 17.781 ( 0.000 0.000 3.881) 3.881 18.192 ( 0.000 0.000 -5.834) 5.834 18.428 ( 0.000 0.000 1.863) 1.863 18.431 ( 0.000 0.000 1.078) 1.078 18.820 ( 0.000 0.000 -0.761) 0.761 18.915 ( 0.000 0.000 -3.827) 3.827 19.030 ( 0.000 0.000 1.474) 1.474 19.089 ( 0.000 0.000 0.482) 0.482 19.425 ( 0.000 0.000 0.363) 0.363 19.454 ( 0.000 0.000 -0.286) 0.286 20.052 ( 0.000 0.000 3.341) 3.341 20.253 ( 0.000 0.000 -1.460) 1.460 20.393 ( 0.000 0.000 7.605) 7.605 20.855 ( 0.000 0.000 -0.739) 0.739 21.027 ( 0.000 0.000 -2.026) 2.026 21.120 ( 0.000 0.000 -6.164) 6.164 21.719 ( 0.000 0.000 1.548) 1.548 21.817 ( 0.000 0.000 -1.003) 1.003 22.406 ( 0.000 0.000 0.253) 0.253 22.428 ( 0.000 0.000 -0.179) 0.179 ======================= Grid point 78 (26/72) ======================= q-point: ( 0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( 21.229 0.000 18.161) 27.937 0.881 ( 19.775 0.000 22.661) 30.076 1.484 ( 36.186 0.000 35.779) 50.888 2.089 ( 7.429 0.000 -16.525) 18.118 2.267 ( 1.947 0.000 -14.863) 14.990 2.376 ( 0.136 0.000 11.364) 11.365 2.659 ( 6.022 0.000 1.704) 6.259 2.774 ( 2.254 0.000 1.575) 2.750 2.906 ( 0.389 0.000 -0.309) 0.496 3.021 ( 0.267 0.000 2.499) 2.513 3.079 ( -3.982 0.000 1.117) 4.136 3.196 ( -1.540 0.000 -3.571) 3.889 3.299 ( 0.026 0.000 6.848) 6.848 3.338 ( -2.356 0.000 -0.626) 2.438 3.403 ( -3.559 0.000 3.008) 4.659 3.531 ( -2.104 0.000 -0.594) 2.186 3.553 ( -2.341 0.000 0.011) 2.341 3.746 ( -2.968 0.000 -1.137) 3.178 3.845 ( 1.386 0.000 -7.175) 7.308 4.045 ( -5.231 0.000 -3.395) 6.236 4.081 ( -3.407 0.000 -6.472) 7.314 4.317 ( -2.103 0.000 -13.801) 13.960 4.511 ( -0.075 0.000 1.196) 1.198 4.657 ( -0.615 0.000 1.317) 1.453 4.712 ( 1.400 0.000 -0.841) 1.633 4.886 ( -4.554 0.000 4.465) 6.378 4.944 ( -4.678 0.000 -2.508) 5.307 5.087 ( 3.803 0.000 -4.830) 6.148 5.164 ( -1.006 0.000 -1.494) 1.801 5.344 ( -0.456 0.000 0.819) 0.937 5.478 ( -0.982 0.000 4.419) 4.527 5.597 ( 3.516 0.000 -0.091) 3.517 5.675 ( 5.375 0.000 -1.596) 5.607 5.762 ( 6.278 0.000 0.035) 6.278 5.883 ( 3.956 0.000 2.144) 4.500 5.980 ( 5.421 0.000 -0.806) 5.480 6.100 ( 2.168 0.000 -1.144) 2.451 6.120 ( -0.433 0.000 -3.337) 3.365 6.420 ( -4.749 0.000 8.589) 9.814 6.675 ( -2.660 0.000 -2.122) 3.402 7.262 ( -0.744 0.000 1.171) 1.387 7.396 ( 1.188 0.000 -2.533) 2.797 7.707 ( -3.539 0.000 3.201) 4.772 7.777 ( -0.868 0.000 -2.058) 2.234 7.818 ( -7.261 0.000 3.475) 8.050 7.899 ( -1.692 0.000 1.945) 2.578 8.136 ( 0.274 0.000 5.730) 5.736 8.322 ( 5.326 0.000 0.089) 5.326 8.621 ( -7.032 0.000 -2.398) 7.429 8.645 ( -6.166 0.000 -1.992) 6.479 9.098 ( -0.646 0.000 1.024) 1.211 9.179 ( -0.225 0.000 0.597) 0.638 9.506 ( 2.523 0.000 1.136) 2.767 9.543 ( -1.436 0.000 -0.282) 1.464 9.684 ( -0.456 0.000 -0.890) 1.000 9.703 ( -3.155 0.000 -1.012) 3.313 10.033 ( 2.635 0.000 0.548) 2.691 10.048 ( 2.988 0.000 -0.181) 2.994 10.127 ( 5.057 0.000 -2.481) 5.633 10.343 ( 6.915 0.000 -8.058) 10.618 10.633 ( 10.288 0.000 1.990) 10.478 10.764 ( 6.792 0.000 -1.135) 6.886 11.295 ( 7.838 0.000 -1.773) 8.037 11.524 ( 3.232 0.000 -5.235) 6.152 12.362 ( 0.013 0.000 5.591) 5.591 12.483 ( -0.093 0.000 3.479) 3.480 12.512 ( -4.478 0.000 6.239) 7.679 12.640 ( 3.514 0.000 -1.039) 3.665 12.840 ( -17.117 0.000 17.775) 24.676 13.487 ( -4.850 0.000 -6.646) 8.228 13.605 ( 1.799 0.000 -1.257) 2.195 13.790 ( 6.665 0.000 -7.633) 10.133 14.247 ( -8.372 0.000 6.244) 10.444 14.318 ( -1.381 0.000 0.146) 1.389 14.511 ( -3.624 0.000 7.031) 7.910 14.759 ( -5.177 0.000 -0.590) 5.211 15.069 ( -2.900 0.000 0.014) 2.900 15.131 ( 6.509 0.000 -4.391) 7.852 15.553 ( -11.649 0.000 5.310) 12.802 15.920 ( 5.956 0.000 -0.354) 5.967 16.196 ( -3.804 0.000 -6.140) 7.223 16.229 ( -3.615 0.000 -4.049) 5.428 16.706 ( -4.695 0.000 8.228) 9.474 16.882 ( 7.928 0.000 3.168) 8.537 17.039 ( 1.136 0.000 -1.343) 1.759 17.164 ( 9.279 0.000 -10.887) 14.305 17.645 ( -3.681 0.000 2.503) 4.451 17.713 ( -1.041 0.000 4.660) 4.774 17.781 ( -0.516 0.000 2.972) 3.017 18.221 ( 3.871 0.000 -5.761) 6.941 18.456 ( 2.983 0.000 0.906) 3.117 18.509 ( 6.278 0.000 1.475) 6.449 18.818 ( -0.437 0.000 -0.917) 1.016 18.906 ( -0.893 0.000 -3.610) 3.719 19.105 ( 1.497 0.000 1.684) 2.253 19.409 ( 0.969 0.000 -2.299) 2.495 19.447 ( -0.684 0.000 -0.009) 0.684 19.542 ( 22.447 0.000 -23.444) 32.457 20.060 ( 3.120 0.000 0.021) 3.120 20.267 ( 0.181 0.000 -2.816) 2.822 20.437 ( 5.338 0.000 6.551) 8.450 20.846 ( -0.949 0.000 1.839) 2.070 20.980 ( -4.692 0.000 -1.969) 5.089 21.140 ( 1.768 0.000 -8.220) 8.408 21.713 ( -1.096 0.000 1.803) 2.110 21.804 ( -1.480 0.000 -0.439) 1.543 22.113 ( -13.666 0.000 15.154) 20.407 22.486 ( -2.604 0.000 -4.982) 5.621 ======================= Grid point 79 (27/72) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( 22.872 0.000 11.385) 25.549 1.292 ( 23.433 0.000 13.957) 27.275 2.192 ( 21.417 0.000 2.852) 21.606 2.258 ( 6.130 0.000 -12.005) 13.479 2.347 ( 18.444 0.000 2.038) 18.556 2.396 ( 4.999 0.000 11.880) 12.889 2.768 ( 2.284 0.000 2.210) 3.178 2.826 ( 2.196 0.000 1.192) 2.499 2.900 ( -2.030 0.000 -3.966) 4.455 2.967 ( -1.184 0.000 -1.518) 1.925 3.057 ( -0.065 0.000 2.347) 2.348 3.142 ( -4.163 0.000 -4.762) 6.326 3.265 ( -4.104 0.000 -0.037) 4.104 3.310 ( -2.469 0.000 5.315) 5.861 3.332 ( -2.638 0.000 -1.670) 3.122 3.432 ( -6.101 0.000 1.278) 6.234 3.539 ( 1.031 0.000 0.804) 1.308 3.680 ( -4.326 0.000 3.608) 5.634 3.860 ( -0.242 0.000 -5.955) 5.960 3.934 ( -5.847 0.000 -1.474) 6.030 3.996 ( -4.297 0.000 -4.931) 6.541 4.283 ( -0.708 0.000 -10.805) 10.829 4.512 ( 0.266 0.000 -2.947) 2.959 4.606 ( -4.888 0.000 2.252) 5.381 4.687 ( -2.241 0.000 2.013) 3.013 4.869 ( -0.165 0.000 -1.672) 1.680 4.894 ( 1.679 0.000 0.291) 1.704 5.139 ( 0.755 0.000 -4.937) 4.994 5.155 ( 0.946 0.000 0.226) 0.973 5.343 ( 0.709 0.000 1.171) 1.369 5.448 ( -2.012 0.000 6.437) 6.744 5.635 ( 0.540 0.000 -2.577) 2.633 5.758 ( 2.632 0.000 0.756) 2.738 5.856 ( 3.111 0.000 -0.207) 3.118 5.978 ( 5.991 0.000 2.326) 6.426 6.097 ( 5.007 0.000 -1.768) 5.310 6.121 ( 2.883 0.000 1.728) 3.361 6.154 ( 2.276 0.000 -2.140) 3.125 6.332 ( -3.723 0.000 3.915) 5.402 6.557 ( -9.030 0.000 -1.844) 9.216 7.267 ( 1.311 0.000 1.575) 2.050 7.411 ( 0.377 0.000 -3.211) 3.233 7.617 ( -4.312 0.000 4.671) 6.358 7.727 ( -2.518 0.000 0.301) 2.536 7.791 ( 1.050 0.000 1.777) 2.064 7.884 ( -0.695 0.000 1.444) 1.603 8.154 ( 1.466 0.000 4.723) 4.945 8.365 ( -2.031 0.000 -0.081) 2.032 8.463 ( -9.434 0.000 -2.169) 9.680 8.555 ( -1.698 0.000 -2.314) 2.870 9.075 ( -1.840 0.000 -0.704) 1.970 9.117 ( -5.412 0.000 0.205) 5.416 9.515 ( -1.081 0.000 -0.394) 1.151 9.545 ( 0.572 0.000 0.554) 0.796 9.640 ( -3.157 0.000 -0.241) 3.166 9.668 ( -0.524 0.000 -1.641) 1.723 10.081 ( 4.357 0.000 2.494) 5.021 10.151 ( 6.205 0.000 -0.548) 6.229 10.266 ( 7.875 0.000 -2.305) 8.205 10.448 ( 4.450 0.000 -6.423) 7.814 10.853 ( 11.705 0.000 1.448) 11.794 10.916 ( 8.305 0.000 0.005) 8.305 11.445 ( 7.481 0.000 -2.874) 8.014 11.598 ( 4.197 0.000 -5.669) 7.054 12.360 ( -0.421 0.000 8.023) 8.034 12.419 ( -2.240 0.000 12.506) 12.705 12.519 ( 2.952 0.000 2.210) 3.688 12.632 ( -4.144 0.000 1.786) 4.513 12.768 ( 5.316 0.000 2.097) 5.715 13.329 ( -10.600 0.000 -5.405) 11.899 13.640 ( 2.591 0.000 1.016) 2.783 13.898 ( 3.883 0.000 -6.206) 7.320 14.160 ( -1.265 0.000 3.793) 3.998 14.277 ( -3.026 0.000 -0.681) 3.101 14.449 ( -3.491 0.000 3.892) 5.229 14.653 ( -5.411 0.000 -1.347) 5.576 14.966 ( -6.143 0.000 4.097) 7.384 15.201 ( 1.169 0.000 -2.122) 2.423 15.342 ( -9.902 0.000 3.962) 10.665 15.932 ( -9.812 0.000 -11.989) 15.492 16.124 ( 4.689 0.000 1.060) 4.807 16.288 ( 5.499 0.000 -2.691) 6.122 16.610 ( -4.799 0.000 10.112) 11.193 17.045 ( 4.902 0.000 -2.740) 5.616 17.080 ( 6.363 0.000 -0.756) 6.408 17.290 ( 5.291 0.000 -8.606) 10.102 17.591 ( -1.465 0.000 4.025) 4.283 17.725 ( 2.082 0.000 3.849) 4.377 17.784 ( 1.338 0.000 6.624) 6.758 18.283 ( 1.488 0.000 -3.752) 4.036 18.527 ( 4.028 0.000 -0.337) 4.042 18.641 ( 6.958 0.000 0.439) 6.972 18.795 ( -2.198 0.000 -1.524) 2.675 18.889 ( -0.352 0.000 -2.269) 2.296 19.079 ( -4.605 0.000 3.752) 5.940 19.402 ( -0.159 0.000 -0.327) 0.364 19.433 ( -0.442 0.000 0.525) 0.686 19.726 ( -0.834 0.000 -18.352) 18.371 20.138 ( 4.075 0.000 3.588) 5.429 20.319 ( 6.024 0.000 -5.039) 7.853 20.562 ( 6.584 0.000 1.025) 6.664 20.815 ( -2.588 0.000 4.815) 5.466 20.885 ( -4.185 0.000 -2.316) 4.784 21.161 ( -0.087 0.000 -9.505) 9.505 21.651 ( -4.773 0.000 5.979) 7.651 21.778 ( -0.921 0.000 0.139) 0.931 21.969 ( -3.125 0.000 9.089) 9.612 22.389 ( -6.637 0.000 -4.691) 8.127 ======================= Grid point 80 (28/72) ======================= q-point: ( 0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 18.681 0.000 7.746) 20.224 1.745 ( 23.051 0.000 6.476) 23.943 2.195 ( -7.234 0.000 0.508) 7.252 2.359 ( 4.629 0.000 -2.368) 5.200 2.497 ( 8.400 0.000 -4.279) 9.427 2.689 ( -8.138 0.000 -4.022) 9.077 2.783 ( -4.383 0.000 -1.413) 4.605 2.855 ( 7.668 0.000 6.939) 10.341 2.906 ( 2.846 0.000 -0.565) 2.901 2.947 ( -4.990 0.000 0.894) 5.069 3.026 ( -2.998 0.000 -3.158) 4.355 3.133 ( 1.586 0.000 -2.823) 3.238 3.192 ( -1.989 0.000 -1.605) 2.556 3.225 ( -3.083 0.000 0.494) 3.122 3.310 ( -0.124 0.000 -0.581) 0.594 3.392 ( 6.137 0.000 6.380) 8.853 3.514 ( -3.514 0.000 0.571) 3.560 3.656 ( 0.933 0.000 1.609) 1.860 3.828 ( -1.133 0.000 -1.745) 2.081 3.858 ( 0.382 0.000 1.061) 1.127 3.965 ( 1.029 0.000 -2.972) 3.145 4.295 ( 1.713 0.000 -2.458) 2.996 4.482 ( -4.377 0.000 -0.343) 4.391 4.565 ( 1.773 0.000 -3.235) 3.689 4.639 ( -2.999 0.000 3.452) 4.572 4.847 ( -0.969 0.000 -4.209) 4.319 4.987 ( 6.280 0.000 0.035) 6.280 5.148 ( 0.434 0.000 -0.957) 1.051 5.171 ( 0.456 0.000 1.465) 1.535 5.354 ( -0.549 0.000 1.685) 1.772 5.428 ( 0.877 0.000 2.843) 2.975 5.624 ( -1.366 0.000 -2.537) 2.881 5.757 ( -2.833 0.000 2.534) 3.801 5.884 ( -0.173 0.000 0.989) 1.004 6.079 ( 3.589 0.000 1.202) 3.785 6.109 ( -0.436 0.000 0.963) 1.057 6.182 ( 0.461 0.000 -1.086) 1.180 6.248 ( 6.726 0.000 -0.760) 6.769 6.317 ( 1.916 0.000 0.014) 1.916 6.372 ( -8.655 0.000 -3.315) 9.268 7.307 ( 2.515 0.000 1.350) 2.854 7.404 ( -0.945 0.000 -0.824) 1.254 7.578 ( 0.041 0.000 3.858) 3.858 7.692 ( -1.641 0.000 -0.598) 1.747 7.801 ( 0.069 0.000 2.960) 2.961 7.866 ( -0.825 0.000 1.412) 1.635 8.178 ( -0.172 0.000 1.830) 1.838 8.266 ( -7.998 0.000 -1.269) 8.098 8.305 ( -4.465 0.000 1.028) 4.582 8.541 ( -1.207 0.000 -2.450) 2.731 9.014 ( -4.591 0.000 0.158) 4.594 9.031 ( -2.730 0.000 -1.114) 2.949 9.506 ( -0.577 0.000 -0.161) 0.599 9.535 ( -0.061 0.000 0.378) 0.382 9.575 ( -3.362 0.000 0.069) 3.363 9.682 ( 1.237 0.000 -2.482) 2.773 10.178 ( 5.209 0.000 2.351) 5.715 10.261 ( 4.837 0.000 -0.090) 4.838 10.404 ( 6.370 0.000 -2.584) 6.875 10.518 ( 2.893 0.000 -4.827) 5.627 11.044 ( 7.766 0.000 1.837) 7.980 11.059 ( 6.384 0.000 1.418) 6.540 11.570 ( 5.440 0.000 -2.510) 5.991 11.671 ( 3.073 0.000 -5.185) 6.027 12.356 ( 0.596 0.000 11.068) 11.084 12.427 ( 2.244 0.000 4.841) 5.335 12.556 ( -2.435 0.000 0.166) 2.441 12.620 ( 6.171 0.000 1.738) 6.411 12.879 ( 5.480 0.000 -0.839) 5.544 13.114 ( -11.296 0.000 -4.162) 12.038 13.713 ( 4.989 0.000 2.984) 5.813 13.928 ( -0.158 0.000 -0.898) 0.911 14.180 ( 2.457 0.000 -0.289) 2.474 14.208 ( -3.682 0.000 -0.020) 3.682 14.375 ( -4.306 0.000 2.827) 5.151 14.557 ( -4.847 0.000 -0.910) 4.931 14.874 ( -2.729 0.000 3.618) 4.532 15.137 ( -7.989 0.000 -0.072) 7.989 15.240 ( -0.273 0.000 0.618) 0.675 15.703 ( -12.253 0.000 -11.517) 16.815 16.240 ( 5.849 0.000 1.523) 6.044 16.388 ( 3.510 0.000 -0.648) 3.569 16.559 ( 0.798 0.000 7.580) 7.622 17.047 ( -2.685 0.000 -5.389) 6.021 17.251 ( 8.362 0.000 -3.765) 9.171 17.386 ( 4.844 0.000 -6.055) 7.754 17.606 ( 3.119 0.000 6.358) 7.082 17.779 ( 3.386 0.000 2.366) 4.131 17.842 ( 4.232 0.000 8.396) 9.402 18.259 ( -3.942 0.000 -2.248) 4.537 18.596 ( 3.091 0.000 -1.577) 3.470 18.735 ( -0.857 0.000 -3.091) 3.208 18.749 ( 0.995 0.000 3.621) 3.756 18.906 ( 1.947 0.000 -0.837) 2.120 18.970 ( -4.841 0.000 2.922) 5.654 19.388 ( -2.902 0.000 -2.294) 3.700 19.443 ( 1.599 0.000 0.756) 1.769 19.604 ( -8.617 0.000 -9.562) 12.872 20.241 ( 6.120 0.000 2.720) 6.697 20.453 ( 7.190 0.000 -4.044) 8.249 20.662 ( 3.383 0.000 0.218) 3.390 20.751 ( -3.264 0.000 -0.012) 3.264 20.836 ( -1.211 0.000 1.684) 2.074 21.127 ( -3.576 0.000 -7.347) 8.171 21.584 ( -1.558 0.000 6.709) 6.887 21.754 ( -1.900 0.000 0.137) 1.904 21.940 ( -0.383 0.000 3.881) 3.900 22.256 ( -7.039 0.000 -3.989) 8.091 ======================= Grid point 81 (29/72) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( 7.961 0.000 4.182) 8.993 2.028 ( -5.972 0.000 3.622) 6.984 2.157 ( 17.407 0.000 2.190) 17.544 2.453 ( 4.660 0.000 -1.459) 4.883 2.542 ( -4.200 0.000 -4.039) 5.827 2.626 ( 2.368 0.000 -1.888) 3.028 2.739 ( 0.568 0.000 -2.010) 2.088 2.785 ( -6.186 0.000 2.242) 6.580 2.836 ( -5.758 0.000 -1.702) 6.004 2.875 ( -3.736 0.000 4.678) 5.986 3.017 ( -5.481 0.000 1.987) 5.830 3.051 ( -2.011 0.000 -3.918) 4.404 3.117 ( -2.903 0.000 -2.334) 3.725 3.209 ( -1.566 0.000 -3.386) 3.731 3.328 ( 0.835 0.000 -4.469) 4.546 3.410 ( -1.429 0.000 -4.231) 4.466 3.535 ( -2.055 0.000 4.333) 4.796 3.641 ( -2.586 0.000 0.866) 2.727 3.866 ( 5.567 0.000 -0.440) 5.585 3.975 ( 2.117 0.000 -3.390) 3.997 4.140 ( 21.332 0.000 5.355) 21.994 4.335 ( 2.086 0.000 0.249) 2.101 4.427 ( 0.384 0.000 -0.465) 0.603 4.558 ( -2.786 0.000 3.438) 4.425 4.600 ( -1.161 0.000 3.272) 3.472 4.827 ( -2.583 0.000 -2.188) 3.385 5.108 ( 5.486 0.000 0.997) 5.576 5.152 ( 0.187 0.000 1.657) 1.668 5.172 ( -0.416 0.000 2.800) 2.830 5.310 ( -4.145 0.000 -0.863) 4.234 5.474 ( 3.466 0.000 0.736) 3.543 5.614 ( 1.658 0.000 -2.420) 2.933 5.667 ( -5.727 0.000 1.218) 5.855 5.837 ( -5.098 0.000 0.614) 5.134 6.083 ( -0.021 0.000 -0.785) 0.786 6.146 ( -1.503 0.000 -0.212) 1.518 6.167 ( 1.256 0.000 -0.483) 1.345 6.240 ( -2.520 0.000 -4.798) 5.419 6.361 ( 3.943 0.000 0.435) 3.967 6.382 ( 2.591 0.000 -0.139) 2.595 7.347 ( 1.441 0.000 1.349) 1.974 7.385 ( -1.004 0.000 1.368) 1.697 7.596 ( 1.342 0.000 2.797) 3.102 7.653 ( -2.281 0.000 1.838) 2.930 7.815 ( 1.834 0.000 0.534) 1.910 7.862 ( 0.217 0.000 0.961) 0.985 8.098 ( -5.461 0.000 -0.740) 5.510 8.139 ( -5.492 0.000 -1.345) 5.654 8.312 ( 3.677 0.000 2.685) 4.553 8.492 ( -3.927 0.000 -1.316) 4.141 8.953 ( -1.753 0.000 0.205) 1.765 8.980 ( -2.480 0.000 -0.707) 2.578 9.479 ( -1.150 0.000 0.281) 1.184 9.515 ( -2.638 0.000 0.207) 2.646 9.580 ( 3.570 0.000 -0.681) 3.634 9.689 ( -0.793 0.000 -2.957) 3.062 10.267 ( 3.924 0.000 1.651) 4.257 10.323 ( 1.587 0.000 0.525) 1.671 10.502 ( 3.924 0.000 -3.000) 4.939 10.556 ( 0.986 0.000 -3.952) 4.073 11.146 ( 3.337 0.000 2.298) 4.052 11.153 ( 3.201 0.000 2.584) 4.114 11.651 ( 3.197 0.000 -2.480) 4.047 11.706 ( 0.553 0.000 -4.042) 4.080 12.382 ( 1.883 0.000 7.761) 7.986 12.459 ( -0.771 0.000 2.608) 2.719 12.548 ( 3.646 0.000 0.557) 3.688 12.737 ( 2.978 0.000 -0.840) 3.094 12.934 ( -5.070 0.000 -1.499) 5.287 12.957 ( 1.901 0.000 -1.534) 2.443 13.817 ( 5.292 0.000 3.469) 6.328 13.917 ( -0.791 0.000 2.013) 2.163 14.150 ( -1.410 0.000 1.840) 2.318 14.229 ( 0.872 0.000 -1.172) 1.461 14.294 ( -2.479 0.000 2.257) 3.353 14.459 ( -5.643 0.000 -0.843) 5.705 14.865 ( 1.297 0.000 1.531) 2.007 14.995 ( -6.142 0.000 1.025) 6.227 15.259 ( 2.274 0.000 -2.440) 3.336 15.491 ( -9.789 0.000 -9.291) 13.496 16.330 ( 3.517 0.000 2.517) 4.325 16.401 ( -0.872 0.000 4.392) 4.478 16.653 ( 7.583 0.000 0.319) 7.589 16.954 ( -6.656 0.000 -4.796) 8.204 17.381 ( 5.447 0.000 -5.136) 7.487 17.461 ( 2.326 0.000 -5.380) 5.862 17.699 ( 6.062 0.000 6.884) 9.173 17.842 ( 2.004 0.000 2.224) 2.994 17.918 ( 3.950 0.000 6.726) 7.800 18.151 ( -6.774 0.000 -0.538) 6.796 18.632 ( 0.532 0.000 -1.142) 1.260 18.703 ( -2.526 0.000 0.543) 2.583 18.772 ( 3.547 0.000 2.188) 4.168 18.919 ( -0.035 0.000 -1.038) 1.039 18.969 ( 2.863 0.000 0.141) 2.867 19.237 ( -11.611 0.000 -4.990) 12.638 19.477 ( 1.591 0.000 0.522) 1.674 19.512 ( -1.382 0.000 -0.715) 1.556 20.357 ( 6.210 0.000 -1.905) 6.496 20.548 ( 0.780 0.000 -5.245) 5.303 20.665 ( -0.433 0.000 1.943) 1.991 20.729 ( -0.482 0.000 -0.160) 0.508 20.847 ( 2.765 0.000 1.959) 3.388 21.034 ( -5.633 0.000 -3.329) 6.543 21.594 ( 2.240 0.000 4.365) 4.907 21.707 ( -2.867 0.000 1.020) 3.043 21.954 ( 1.924 0.000 1.074) 2.203 22.126 ( -6.445 0.000 -2.710) 6.992 ======================= Grid point 82 (30/72) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.960 ( -0.859 0.000 2.996) 3.117 1.960 ( 0.859 0.000 2.996) 3.117 2.433 ( -9.324 0.000 -2.549) 9.666 2.433 ( 9.324 0.000 -2.549) 9.666 2.579 ( -6.126 0.000 0.135) 6.127 2.579 ( 6.126 0.000 0.135) 6.127 2.712 ( -2.171 0.000 2.778) 3.525 2.712 ( 2.171 0.000 2.778) 3.525 2.842 ( -1.195 0.000 2.098) 2.415 2.842 ( 1.195 0.000 2.098) 2.415 2.950 ( -4.372 0.000 -2.552) 5.063 2.950 ( 4.372 0.000 -2.552) 5.063 3.161 ( -3.476 0.000 -3.285) 4.783 3.161 ( 3.476 0.000 -3.285) 4.783 3.359 ( -3.226 0.000 -5.644) 6.501 3.359 ( 3.226 0.000 -5.644) 6.501 3.560 ( -4.327 0.000 2.356) 4.927 3.560 ( 4.327 0.000 2.356) 4.927 3.961 ( -3.338 0.000 -3.490) 4.829 3.961 ( 3.338 0.000 -3.490) 4.829 4.350 ( -2.557 0.000 0.467) 2.599 4.350 ( 2.557 0.000 0.467) 2.599 4.535 ( -1.219 0.000 2.789) 3.044 4.535 ( 1.219 0.000 2.789) 3.044 4.662 ( -14.105 0.000 5.964) 15.314 4.662 ( 14.105 0.000 5.964) 15.314 5.145 ( -0.860 0.000 4.008) 4.099 5.145 ( 0.860 0.000 4.008) 4.099 5.223 ( -4.455 0.000 -2.069) 4.913 5.223 ( 4.455 0.000 -2.069) 4.913 5.558 ( -5.236 0.000 -0.132) 5.237 5.558 ( 5.236 0.000 -0.132) 5.237 5.709 ( -7.115 0.000 -1.905) 7.366 5.709 ( 7.115 0.000 -1.905) 7.366 6.100 ( -1.687 0.000 -0.876) 1.901 6.100 ( 1.687 0.000 -0.876) 1.901 6.208 ( -1.741 0.000 -2.246) 2.842 6.208 ( 1.741 0.000 -2.246) 2.842 6.403 ( -0.509 0.000 0.356) 0.621 6.403 ( 0.509 0.000 0.356) 0.621 7.366 ( -0.912 0.000 1.677) 1.909 7.366 ( 0.912 0.000 1.677) 1.909 7.620 ( -1.238 0.000 2.928) 3.179 7.620 ( 1.238 0.000 2.928) 3.179 7.854 ( -1.534 0.000 -0.442) 1.596 7.854 ( 1.534 0.000 -0.442) 1.596 8.059 ( -1.876 0.000 -0.600) 1.970 8.059 ( 1.876 0.000 -0.600) 1.970 8.402 ( -5.168 0.000 0.682) 5.213 8.402 ( 5.168 0.000 0.682) 5.213 8.946 ( -0.886 0.000 -0.149) 0.898 8.946 ( 0.886 0.000 -0.149) 0.898 9.478 ( -1.067 0.000 0.415) 1.145 9.478 ( 1.067 0.000 0.415) 1.145 9.649 ( -3.222 0.000 -2.201) 3.902 9.649 ( 3.222 0.000 -2.201) 3.902 10.322 ( -1.636 0.000 1.043) 1.940 10.322 ( 1.636 0.000 1.043) 1.940 10.553 ( -1.373 0.000 -3.419) 3.684 10.553 ( 1.373 0.000 -3.419) 3.684 11.180 ( -0.263 0.000 2.729) 2.742 11.180 ( 0.263 0.000 2.729) 2.742 11.696 ( -1.503 0.000 -3.006) 3.361 11.696 ( 1.503 0.000 -3.006) 3.361 12.422 ( -2.257 0.000 4.457) 4.996 12.422 ( 2.257 0.000 4.457) 4.996 12.663 ( -7.113 0.000 -1.186) 7.211 12.663 ( 7.113 0.000 -1.186) 7.211 12.949 ( -2.680 0.000 -0.692) 2.768 12.949 ( 2.680 0.000 -0.692) 2.768 13.891 ( -2.333 0.000 3.038) 3.831 13.891 ( 2.333 0.000 3.038) 3.831 14.172 ( -3.537 0.000 2.139) 4.134 14.172 ( 3.537 0.000 2.139) 4.134 14.348 ( -5.481 0.000 -0.817) 5.541 14.348 ( 5.481 0.000 -0.817) 5.541 14.909 ( -3.198 0.000 1.242) 3.431 14.909 ( 3.198 0.000 1.242) 3.431 15.338 ( -6.150 0.000 -6.056) 8.631 15.338 ( 6.150 0.000 -6.056) 8.631 16.377 ( -1.680 0.000 3.987) 4.327 16.377 ( 1.680 0.000 3.987) 4.327 16.809 ( -8.263 0.000 -2.771) 8.715 16.809 ( 8.263 0.000 -2.771) 8.715 17.459 ( -2.467 0.000 -5.093) 5.659 17.459 ( 2.467 0.000 -5.093) 5.659 17.809 ( -4.763 0.000 5.076) 6.961 17.809 ( 4.763 0.000 5.076) 6.961 18.021 ( -6.541 0.000 2.141) 6.882 18.021 ( 6.541 0.000 2.141) 6.882 18.650 ( -2.004 0.000 1.395) 2.441 18.650 ( 2.004 0.000 1.395) 2.441 18.883 ( -5.164 0.000 -2.108) 5.578 18.883 ( 5.164 0.000 -2.108) 5.578 19.045 ( -6.586 0.000 -1.084) 6.674 19.045 ( 6.586 0.000 -1.084) 6.674 19.498 ( -0.700 0.000 0.459) 0.837 19.498 ( 0.700 0.000 0.459) 0.837 20.477 ( -6.021 0.000 -5.174) 7.938 20.477 ( 6.021 0.000 -5.174) 7.938 20.699 ( -2.390 0.000 2.213) 3.258 20.699 ( 2.390 0.000 2.213) 3.258 20.928 ( -5.239 0.000 -0.360) 5.251 20.928 ( 5.239 0.000 -0.360) 5.251 21.649 ( -3.146 0.000 2.300) 3.897 21.649 ( 3.146 0.000 2.300) 3.897 22.017 ( -4.737 0.000 -0.975) 4.836 22.017 ( 4.737 0.000 -0.975) 4.836 ======================= Grid point 88 (31/72) ======================= q-point: ( 0.00 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( 0.000 20.815 19.801) 28.728 0.847 ( 0.000 20.201 22.684) 30.375 1.436 ( 0.000 32.538 37.249) 49.459 2.073 ( 0.000 6.211 -16.185) 17.336 2.245 ( 0.000 -8.625 8.076) 11.816 2.317 ( 0.000 2.951 -11.931) 12.291 2.468 ( 0.000 -12.467 4.050) 13.108 2.722 ( 0.000 -2.915 -0.165) 2.920 2.936 ( 0.000 4.087 1.361) 4.308 3.008 ( 0.000 -5.389 4.881) 7.272 3.099 ( 0.000 -0.398 -4.402) 4.420 3.139 ( 0.000 -3.357 0.985) 3.499 3.330 ( 0.000 1.262 0.021) 1.263 3.399 ( 0.000 -3.814 6.079) 7.176 3.438 ( 0.000 3.961 -0.336) 3.976 3.527 ( 0.000 0.719 3.605) 3.676 3.584 ( 0.000 0.705 -0.887) 1.132 3.842 ( 0.000 0.880 2.821) 2.955 3.874 ( 0.000 6.949 -8.694) 11.130 3.951 ( 0.000 -9.549 -2.639) 9.907 4.156 ( 0.000 0.787 -11.528) 11.555 4.237 ( 0.000 -8.497 -9.362) 12.643 4.471 ( 0.000 -5.114 -3.118) 5.989 4.607 ( 0.000 -3.228 7.795) 8.437 4.685 ( 0.000 -2.494 -4.242) 4.921 5.006 ( 0.000 1.576 -4.308) 4.588 5.036 ( 0.000 4.255 -7.698) 8.795 5.139 ( 0.000 6.483 4.454) 7.866 5.201 ( 0.000 4.843 -2.911) 5.650 5.466 ( 0.000 0.821 0.628) 1.033 5.503 ( 0.000 2.704 0.538) 2.757 5.553 ( 0.000 0.964 0.258) 0.998 5.596 ( 0.000 8.071 -7.762) 11.198 5.784 ( 0.000 5.224 2.706) 5.883 5.788 ( 0.000 -2.568 4.326) 5.031 5.953 ( 0.000 1.917 -0.691) 2.038 6.053 ( 0.000 -1.932 -1.179) 2.263 6.135 ( 0.000 0.720 -3.918) 3.984 6.440 ( 0.000 -4.155 8.255) 9.242 6.590 ( 0.000 -7.090 4.571) 8.436 7.303 ( 0.000 2.478 0.559) 2.540 7.383 ( 0.000 0.432 -0.867) 0.969 7.717 ( 0.000 -1.524 2.028) 2.537 7.791 ( 0.000 -0.254 -1.633) 1.653 7.840 ( 0.000 -6.699 4.331) 7.977 7.919 ( 0.000 -0.325 -1.763) 1.793 8.114 ( 0.000 -1.585 5.441) 5.667 8.256 ( 0.000 0.287 0.461) 0.543 8.566 ( 0.000 -6.429 1.219) 6.544 8.842 ( 0.000 6.220 -4.709) 7.801 9.032 ( 0.000 -6.961 1.507) 7.122 9.134 ( 0.000 -2.348 -0.542) 2.410 9.522 ( 0.000 2.133 -1.105) 2.402 9.606 ( 0.000 1.087 0.495) 1.194 9.635 ( 0.000 -0.076 1.041) 1.044 9.746 ( 0.000 -0.816 -0.045) 0.817 9.936 ( 0.000 -0.945 -0.340) 1.004 10.059 ( 0.000 2.931 -1.304) 3.208 10.121 ( 0.000 -0.822 -1.841) 2.016 10.217 ( 0.000 -1.192 -3.238) 3.450 10.667 ( 0.000 11.271 -3.895) 11.925 10.750 ( 0.000 5.656 -1.506) 5.853 11.166 ( 0.000 -3.538 2.357) 4.251 11.409 ( 0.000 -7.338 -2.172) 7.653 12.297 ( 0.000 -5.912 8.140) 10.061 12.421 ( 0.000 -5.074 7.869) 9.363 12.548 ( 0.000 -0.388 0.323) 0.504 12.606 ( 0.000 0.092 -0.275) 0.290 12.981 ( 0.000 -10.888 18.019) 21.053 13.275 ( 0.000 -3.683 -0.732) 3.755 13.641 ( 0.000 4.416 -6.866) 8.164 13.856 ( 0.000 4.151 -8.753) 9.688 14.295 ( 0.000 -1.210 4.079) 4.255 14.539 ( 0.000 1.151 5.339) 5.462 14.714 ( 0.000 5.238 -3.626) 6.370 14.863 ( 0.000 4.852 0.200) 4.856 14.871 ( 0.000 0.393 -0.825) 0.914 15.136 ( 0.000 0.522 -3.614) 3.651 15.706 ( 0.000 1.875 1.593) 2.460 15.874 ( 0.000 -0.969 -2.961) 3.115 16.178 ( 0.000 -3.498 -2.024) 4.041 16.324 ( 0.000 0.617 -3.321) 3.378 16.623 ( 0.000 -13.371 7.477) 15.320 16.717 ( 0.000 -5.888 2.411) 6.362 16.955 ( 0.000 6.134 1.574) 6.333 17.075 ( 0.000 1.490 -0.515) 1.576 17.546 ( 0.000 -5.970 3.151) 6.751 17.637 ( 0.000 -7.030 -1.402) 7.169 17.854 ( 0.000 2.724 6.434) 6.987 18.211 ( 0.000 1.300 -4.983) 5.150 18.374 ( 0.000 -0.405 2.744) 2.774 18.569 ( 0.000 7.031 -1.837) 7.267 18.898 ( 0.000 -1.016 -1.983) 2.228 19.032 ( 0.000 0.038 1.564) 1.564 19.070 ( 0.000 5.164 -3.713) 6.360 19.096 ( 0.000 1.887 -2.933) 3.488 19.478 ( 0.000 3.030 0.301) 3.044 19.710 ( 0.000 19.734 -15.006) 24.792 20.038 ( 0.000 -1.406 0.747) 1.592 20.252 ( 0.000 1.686 -3.126) 3.552 20.499 ( 0.000 8.538 4.279) 9.550 20.860 ( 0.000 0.466 -0.404) 0.617 21.035 ( 0.000 1.068 -4.633) 4.754 21.127 ( 0.000 0.643 -6.629) 6.660 21.703 ( 0.000 -1.627 1.770) 2.404 21.762 ( 0.000 -5.136 3.586) 6.264 22.273 ( 0.000 -7.413 6.521) 9.873 22.401 ( 0.000 -3.298 -0.033) 3.298 ======================= Grid point 89 (32/72) ======================= q-point: ( 0.10 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( 14.854 14.956 16.721) 26.906 1.030 ( 15.510 14.297 20.287) 29.267 1.746 ( 27.820 24.250 26.240) 45.283 2.141 ( 6.240 4.309 -14.339) 16.221 2.271 ( 3.106 -6.505 7.865) 10.669 2.336 ( 1.594 3.916 -10.691) 11.496 2.521 ( 4.955 -12.670 3.132) 13.960 2.746 ( 2.802 -2.888 -0.552) 4.061 2.928 ( -0.931 2.674 1.243) 3.093 3.022 ( 0.410 -5.025 1.224) 5.188 3.079 ( -1.755 1.725 1.518) 2.891 3.127 ( -0.531 -3.674 -2.817) 4.660 3.309 ( -1.868 0.349 1.840) 2.645 3.351 ( -3.027 -0.010 2.629) 4.009 3.418 ( -3.069 1.106 -0.287) 3.275 3.533 ( 0.605 0.780 2.976) 3.135 3.564 ( -2.159 2.179 0.853) 3.184 3.781 ( -4.809 1.157 0.235) 4.952 3.868 ( -0.581 1.234 -6.715) 6.852 3.954 ( -0.880 -4.871 -1.779) 5.260 4.095 ( -6.041 -1.209 -6.337) 8.838 4.260 ( 2.210 -3.913 -13.175) 13.921 4.484 ( 0.421 -3.373 -2.442) 4.185 4.587 ( -1.585 -4.725 6.083) 7.863 4.697 ( 1.378 -4.287 -2.760) 5.282 4.929 ( -8.299 6.550 -2.593) 10.886 5.003 ( -1.605 2.624 -5.076) 5.935 5.164 ( 2.804 6.146 -0.528) 6.776 5.202 ( 0.590 4.387 -1.001) 4.538 5.400 ( -4.035 4.981 0.673) 6.446 5.479 ( -0.555 0.725 4.104) 4.204 5.601 ( 5.037 -0.163 1.509) 5.260 5.704 ( 4.253 2.517 -4.675) 6.803 5.796 ( 2.444 1.808 0.722) 3.125 5.861 ( 5.153 -0.332 1.314) 5.328 5.994 ( 3.635 0.559 -1.934) 4.155 6.072 ( 1.570 -2.253 -1.225) 3.007 6.134 ( 0.184 1.258 -0.782) 1.493 6.393 ( -4.139 -2.689 7.569) 9.036 6.581 ( -2.181 -8.466 1.078) 8.808 7.278 ( -1.500 1.574 1.380) 2.575 7.407 ( 1.435 0.811 -1.791) 2.434 7.691 ( -2.990 -1.326 2.697) 4.239 7.771 ( -2.824 -1.951 0.907) 3.550 7.797 ( -1.233 0.188 1.540) 1.982 7.910 ( -0.430 1.249 -0.571) 1.439 8.112 ( 0.436 -2.110 5.118) 5.553 8.320 ( 4.672 -0.929 -0.665) 4.810 8.504 ( -5.600 -5.408 0.927) 7.840 8.749 ( -7.706 5.360 -3.752) 10.109 8.997 ( -3.071 -8.098 2.412) 8.990 9.131 ( -1.409 -5.023 -0.372) 5.230 9.481 ( -0.206 0.149 1.981) 1.997 9.621 ( -0.095 2.401 -1.792) 2.998 9.673 ( 0.975 0.648 -0.449) 1.254 9.731 ( -1.024 1.740 -1.385) 2.448 10.005 ( 5.931 -1.250 -0.423) 6.076 10.067 ( 0.454 1.997 0.228) 2.060 10.166 ( 4.798 1.681 -2.536) 5.682 10.297 ( 6.500 -3.726 -5.074) 9.048 10.742 ( 7.621 9.379 -1.442) 12.171 10.816 ( 6.337 5.197 -1.050) 8.262 11.268 ( 8.460 -2.963 -1.644) 9.113 11.455 ( 4.490 -6.519 -3.252) 8.557 12.299 ( 0.222 -5.432 8.649) 10.216 12.399 ( -1.653 -4.556 9.152) 10.355 12.546 ( 0.073 1.347 1.128) 1.758 12.634 ( 1.825 -1.347 -0.210) 2.278 12.865 ( -6.425 3.843 13.107) 15.094 13.353 ( 3.615 -8.321 -0.938) 9.121 13.611 ( -2.428 2.127 -5.029) 5.976 13.841 ( -1.234 1.231 -8.772) 8.944 14.266 ( -3.545 0.072 4.639) 5.839 14.434 ( -10.502 5.490 3.911) 12.479 14.530 ( -2.860 5.129 1.766) 6.132 14.770 ( -5.749 0.931 -1.020) 5.913 15.035 ( 1.077 -1.584 1.298) 2.314 15.151 ( 2.252 0.585 -3.312) 4.048 15.597 ( -10.076 4.005 2.747) 11.186 15.916 ( 4.281 -0.926 -3.062) 5.344 16.137 ( -2.032 -2.864 -2.996) 4.616 16.267 ( -3.701 1.604 -3.202) 5.150 16.628 ( -1.308 -7.453 6.754) 10.142 16.798 ( 6.069 -7.605 1.036) 9.785 17.083 ( 3.082 2.266 -1.630) 4.159 17.126 ( 10.273 0.060 -3.033) 10.711 17.550 ( 0.836 -5.232 3.621) 6.417 17.681 ( 2.539 -4.671 -1.195) 5.449 17.841 ( -0.642 5.159 4.814) 7.086 18.240 ( 2.719 0.745 -5.505) 6.185 18.416 ( 3.589 -2.098 3.008) 5.131 18.595 ( 2.771 5.556 -1.616) 6.415 18.847 ( -4.394 0.755 -0.145) 4.460 18.912 ( -3.146 2.635 -1.956) 4.546 19.071 ( 0.407 -2.974 2.004) 3.609 19.250 ( 4.171 -6.761 -3.169) 8.553 19.494 ( 1.406 4.830 0.676) 5.075 19.777 ( 4.378 10.901 -11.922) 16.737 20.069 ( 2.769 -0.070 -2.095) 3.473 20.276 ( 2.474 1.884 -5.440) 6.266 20.518 ( 2.336 6.907 4.128) 8.379 20.854 ( -0.680 0.795 1.432) 1.774 20.995 ( -4.177 1.619 -3.916) 5.950 21.139 ( 1.070 -0.230 -8.188) 8.261 21.697 ( -1.382 -1.736 2.195) 3.121 21.741 ( -1.488 -5.223 4.413) 6.997 22.128 ( -8.317 1.469 8.968) 12.319 22.428 ( -1.196 -5.146 -3.130) 6.141 ======================= Grid point 90 (33/72) ======================= q-point: ( 0.20 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( 22.088 6.176 10.145) 25.079 1.374 ( 19.721 9.824 14.261) 26.245 2.189 ( 9.254 -1.517 -0.884) 9.420 2.283 ( 5.492 3.079 -5.603) 8.428 2.335 ( 2.766 -3.014 4.458) 6.050 2.502 ( 23.519 10.359 4.701) 26.126 2.621 ( 5.045 -10.706 2.043) 12.010 2.808 ( 1.364 -2.622 0.099) 2.958 2.895 ( -2.659 0.166 -2.515) 3.664 2.983 ( -1.517 0.978 -0.389) 1.846 3.080 ( -0.538 -2.174 -0.232) 2.252 3.120 ( 0.604 0.384 -2.911) 2.998 3.261 ( -2.572 -1.922 5.088) 6.016 3.305 ( -3.817 2.518 -1.543) 4.827 3.338 ( -3.090 0.722 -1.533) 3.524 3.478 ( -4.949 3.974 0.809) 6.399 3.574 ( 2.210 2.874 2.595) 4.458 3.677 ( -6.313 -1.153 2.224) 6.792 3.846 ( -2.142 -1.458 -4.822) 5.474 3.916 ( -2.460 -2.273 -1.164) 3.546 3.970 ( -5.484 -1.259 -2.993) 6.373 4.307 ( 2.381 2.872 -11.016) 11.630 4.473 ( -0.538 -3.680 -1.373) 3.964 4.561 ( -1.639 -4.629 3.840) 6.234 4.739 ( 2.469 -6.343 1.678) 7.010 4.777 ( -6.205 7.175 -2.437) 9.794 4.972 ( -1.533 3.619 -6.206) 7.346 5.175 ( -0.002 2.180 -3.018) 3.723 5.267 ( 3.929 8.378 1.521) 9.378 5.362 ( -0.427 3.899 1.764) 4.301 5.460 ( -1.382 1.330 5.194) 5.537 5.654 ( 0.436 1.295 -1.461) 2.001 5.765 ( 2.053 1.456 0.160) 2.522 5.856 ( 2.437 -0.760 0.098) 2.554 5.962 ( 5.747 -1.266 1.614) 6.102 6.072 ( 3.230 -1.820 -1.413) 3.968 6.101 ( 2.931 -2.414 -0.601) 3.844 6.152 ( 1.447 -0.496 1.344) 2.036 6.312 ( -3.510 -1.925 2.629) 4.789 6.488 ( -7.146 -6.713 -1.272) 9.886 7.269 ( 0.762 0.642 2.026) 2.257 7.428 ( 0.905 1.249 -2.326) 2.791 7.619 ( -3.467 0.286 3.627) 5.026 7.722 ( -1.681 -0.468 0.590) 1.842 7.798 ( 0.122 0.835 1.405) 1.639 7.904 ( -0.567 2.233 0.505) 2.358 8.131 ( 1.148 -2.781 3.767) 4.821 8.360 ( -2.239 -2.979 -1.706) 4.099 8.389 ( -5.596 -2.357 0.943) 6.145 8.612 ( -5.169 3.841 -2.802) 7.022 8.941 ( -2.576 -10.352 1.525) 10.776 9.063 ( -5.067 -6.307 -0.767) 8.127 9.501 ( 1.595 0.419 1.535) 2.253 9.595 ( -1.974 2.675 -0.624) 3.382 9.672 ( -0.922 2.145 -1.538) 2.796 9.722 ( -0.055 5.117 -1.754) 5.409 10.091 ( 3.766 0.842 1.559) 4.162 10.143 ( 6.490 -0.381 -0.053) 6.501 10.276 ( 6.466 0.446 -2.256) 6.863 10.410 ( 5.084 -3.695 -5.272) 8.203 10.926 ( 10.472 7.022 0.302) 12.612 10.959 ( 7.882 4.550 0.062) 9.102 11.428 ( 7.752 -1.903 -2.761) 8.446 11.557 ( 5.551 -4.226 -4.878) 8.513 12.309 ( 0.894 -3.779 10.138) 10.856 12.380 ( -0.018 -3.083 7.822) 8.407 12.562 ( 1.855 2.540 2.229) 3.854 12.629 ( -2.162 -0.394 1.010) 2.419 12.841 ( 3.288 7.510 3.696) 8.993 13.326 ( -6.720 -0.502 -3.764) 7.718 13.587 ( 0.754 -4.125 -0.231) 4.199 13.827 ( -0.126 -6.548 -5.579) 8.603 14.200 ( -1.604 2.604 3.664) 4.773 14.328 ( -3.303 3.940 0.031) 5.141 14.469 ( -3.691 2.726 2.538) 5.243 14.657 ( -5.559 0.275 -1.675) 5.813 14.976 ( -5.026 1.174 4.288) 6.710 15.176 ( -0.324 -2.157 -0.160) 2.187 15.403 ( -9.317 5.586 1.383) 10.951 15.888 ( -9.171 -4.427 -11.286) 15.202 16.139 ( 4.536 1.470 1.311) 4.945 16.288 ( 4.800 -0.081 -1.482) 5.025 16.578 ( -3.028 -2.663 8.065) 9.017 16.915 ( 5.428 -8.891 -1.667) 10.549 17.166 ( 6.154 3.557 -1.578) 7.281 17.290 ( 6.708 1.219 -5.483) 8.749 17.579 ( 1.782 -2.711 3.475) 4.754 17.691 ( -0.304 -0.627 2.224) 2.331 17.860 ( 2.556 6.049 4.041) 7.711 18.285 ( 1.061 -0.483 -4.457) 4.607 18.491 ( 4.109 -3.238 2.201) 5.676 18.657 ( 2.946 0.770 -1.871) 3.574 18.795 ( -1.320 -0.753 -0.057) 1.521 18.867 ( -1.732 -0.222 -0.724) 1.890 19.053 ( -2.466 -2.548 2.319) 4.237 19.264 ( -1.345 -9.698 -2.207) 10.037 19.513 ( 0.465 7.191 1.110) 7.291 19.825 ( -0.416 7.065 -10.611) 12.755 20.109 ( 2.479 -2.643 3.687) 5.169 20.348 ( 4.675 1.699 -6.505) 8.189 20.585 ( 4.156 2.342 2.094) 5.210 20.829 ( -2.221 1.789 3.085) 4.201 20.910 ( -3.582 2.268 -2.924) 5.151 21.145 ( -0.933 -1.811 -8.770) 9.003 21.634 ( -3.763 -1.447 6.338) 7.511 21.736 ( 0.355 -3.245 1.633) 3.650 22.022 ( -3.483 4.362 5.360) 7.739 22.355 ( -5.668 -3.381 -4.028) 7.732 ======================= Grid point 91 (34/72) ======================= q-point: ( 0.30 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( 18.336 5.537 5.773) 20.005 1.762 ( 20.883 3.264 8.012) 22.604 2.202 ( -6.361 -0.075 0.929) 6.429 2.319 ( 4.568 -4.035 0.601) 6.125 2.464 ( 6.701 -1.928 -3.323) 7.724 2.650 ( 0.133 -7.986 -1.037) 8.055 2.729 ( -7.243 0.932 -4.238) 8.444 2.833 ( -1.285 -4.686 -1.229) 5.012 2.914 ( 7.792 2.536 2.793) 8.657 2.960 ( -5.034 0.977 -0.505) 5.153 3.027 ( -2.444 -0.150 -2.164) 3.268 3.153 ( -2.625 -0.336 -1.950) 3.288 3.217 ( -1.590 1.238 -1.363) 2.432 3.265 ( -0.196 2.240 -0.452) 2.294 3.316 ( -0.144 4.101 -2.164) 4.639 3.442 ( 3.768 3.790 6.126) 8.129 3.511 ( -3.766 0.981 2.307) 4.524 3.666 ( 3.025 0.442 0.948) 3.201 3.791 ( -1.291 -2.488 -1.529) 3.193 3.900 ( 2.799 0.526 0.723) 2.938 3.922 ( -0.066 -0.666 -1.599) 1.734 4.337 ( 1.054 3.904 -1.210) 4.221 4.493 ( 0.249 -1.963 -0.954) 2.196 4.524 ( 0.032 -1.520 -0.753) 1.697 4.674 ( -3.993 3.404 -1.001) 5.342 4.790 ( 1.125 -4.658 4.613) 6.651 4.973 ( 2.180 1.386 -6.927) 7.393 5.169 ( -0.825 0.742 -3.824) 3.981 5.307 ( -0.572 8.899 3.677) 9.645 5.364 ( 0.773 2.037 2.885) 3.615 5.458 ( 1.794 3.679 2.128) 4.613 5.639 ( -1.610 1.955 -2.472) 3.539 5.761 ( -2.308 0.788 1.926) 3.108 5.868 ( -1.126 -1.958 1.198) 2.557 6.059 ( 3.311 -1.917 0.805) 3.909 6.097 ( 1.012 -0.985 0.850) 1.649 6.149 ( 0.420 -2.855 -0.697) 2.969 6.221 ( 5.237 -3.690 -0.024) 6.406 6.294 ( 1.552 -2.104 -0.701) 2.707 6.343 ( -6.686 -3.061 -3.057) 7.964 7.303 ( 2.476 0.382 2.187) 3.326 7.439 ( 0.165 2.753 -0.839) 2.882 7.585 ( -0.107 0.675 3.149) 3.222 7.701 ( -0.928 0.723 -0.658) 1.348 7.788 ( -1.046 -1.112 3.161) 3.511 7.880 ( -1.763 1.674 0.836) 2.571 8.135 ( -1.533 -4.616 0.856) 4.938 8.239 ( -8.453 -3.418 -1.767) 9.288 8.313 ( -1.595 2.097 2.343) 3.526 8.558 ( -1.947 1.656 -2.344) 3.469 8.901 ( -1.708 -9.702 0.400) 9.859 8.970 ( -4.188 -6.276 -0.799) 7.587 9.534 ( 1.668 1.415 0.450) 2.233 9.560 ( -1.328 4.489 0.599) 4.720 9.639 ( -2.406 4.284 -0.926) 5.000 9.727 ( 0.546 4.467 -2.365) 5.084 10.175 ( 4.612 -0.365 2.075) 5.071 10.253 ( 4.641 -0.860 0.114) 4.721 10.398 ( 5.977 -0.740 -2.504) 6.522 10.491 ( 3.374 -2.837 -4.547) 6.333 11.093 ( 6.043 4.340 1.222) 7.540 11.100 ( 7.061 5.237 1.359) 8.896 11.554 ( 5.371 -1.757 -2.366) 6.126 11.647 ( 3.537 -2.610 -4.901) 6.583 12.335 ( 1.896 -1.626 9.880) 10.191 12.405 ( 2.599 -2.122 4.371) 5.510 12.569 ( -2.173 1.341 1.170) 2.809 12.644 ( 5.021 1.667 0.738) 5.342 12.926 ( 4.501 5.180 -0.095) 6.863 13.150 ( -9.954 3.838 -3.837) 11.337 13.634 ( 3.705 -7.425 2.687) 8.722 13.824 ( -0.430 -9.568 -0.879) 9.618 14.206 ( 1.269 1.974 0.429) 2.385 14.266 ( -2.871 4.657 0.038) 5.471 14.401 ( -3.367 2.536 1.985) 4.659 14.561 ( -4.732 0.266 -1.190) 4.887 14.893 ( -2.764 1.972 3.918) 5.184 15.125 ( -5.263 -1.511 1.025) 5.571 15.271 ( -3.845 3.404 -0.647) 5.176 15.672 ( -11.852 -3.279 -10.727) 16.318 16.246 ( 5.611 0.630 1.748) 5.911 16.382 ( 3.565 -1.010 0.802) 3.791 16.554 ( 1.641 0.228 5.607) 5.846 16.972 ( 0.083 -6.813 -3.932) 7.867 17.299 ( 7.026 3.420 -3.383) 8.515 17.391 ( 3.944 1.407 -6.106) 7.404 17.616 ( 2.811 -0.270 5.449) 6.138 17.716 ( 2.768 -3.152 4.371) 6.058 17.927 ( 4.318 6.883 3.640) 8.903 18.261 ( -3.428 -0.168 -2.589) 4.299 18.563 ( 3.159 -4.182 1.258) 5.390 18.686 ( 0.271 -1.746 -1.011) 2.036 18.793 ( 1.055 -1.309 -0.331) 1.713 18.853 ( -0.260 -1.151 1.041) 1.574 18.987 ( -3.599 0.890 0.871) 3.808 19.217 ( -3.910 -11.471 -3.049) 12.497 19.527 ( 1.242 7.283 1.114) 7.471 19.751 ( -5.741 10.515 -6.611) 13.683 20.189 ( 5.159 -4.955 3.557) 7.989 20.436 ( 3.986 -2.439 -4.198) 6.282 20.660 ( 3.428 -0.158 0.785) 3.521 20.775 ( -2.722 3.257 -0.066) 4.245 20.871 ( -1.011 2.564 0.063) 2.757 21.096 ( -4.136 -3.272 -6.235) 8.166 21.592 ( -0.305 1.057 5.960) 6.061 21.737 ( -0.416 -1.495 0.818) 1.754 21.972 ( -1.846 3.003 2.541) 4.346 22.235 ( -6.613 -2.185 -3.656) 7.866 ======================= Grid point 92 (35/72) ======================= q-point: ( 0.40 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( 6.856 4.722 3.287) 8.950 2.049 ( -3.626 2.047 3.437) 5.399 2.156 ( 15.286 -0.166 2.522) 15.494 2.414 ( 4.594 -3.700 0.267) 5.905 2.535 ( 0.905 -1.445 -1.617) 2.350 2.609 ( -2.800 -0.106 -1.958) 3.419 2.691 ( 4.221 -3.851 -4.808) 7.468 2.778 ( -5.547 -1.944 1.071) 5.975 2.836 ( -4.988 1.509 -0.708) 5.260 2.909 ( -3.236 2.273 1.661) 4.289 3.020 ( -2.836 -1.068 -4.497) 5.423 3.049 ( -3.738 0.833 2.904) 4.806 3.152 ( -6.944 3.093 -0.148) 7.603 3.201 ( -4.704 -2.189 -3.018) 6.002 3.319 ( 3.130 2.163 -4.965) 6.255 3.433 ( 1.405 0.676 0.327) 1.593 3.559 ( -1.764 2.837 -0.183) 3.346 3.647 ( -3.472 0.175 1.435) 3.761 3.858 ( 4.889 -1.496 0.003) 5.113 3.934 ( 0.903 -4.057 -2.598) 4.901 4.154 ( 20.403 2.005 3.670) 20.828 4.370 ( 2.678 2.925 3.221) 5.109 4.456 ( -1.248 2.331 -0.702) 2.736 4.556 ( -0.129 0.800 0.737) 1.095 4.611 ( -1.831 1.234 1.344) 2.585 4.786 ( -2.010 -3.828 3.570) 5.607 5.030 ( 2.892 -2.532 -1.353) 4.075 5.143 ( -2.111 -2.014 -1.902) 3.483 5.277 ( -1.344 4.098 1.698) 4.635 5.350 ( -3.158 5.811 2.645) 7.123 5.516 ( 4.049 3.132 -0.195) 5.123 5.624 ( 0.744 1.988 -2.285) 3.119 5.704 ( -2.845 3.895 0.800) 4.889 5.812 ( -4.623 -2.129 0.886) 5.166 6.082 ( 0.609 -0.085 -0.763) 0.980 6.128 ( 0.362 -1.610 -0.347) 1.686 6.151 ( 0.546 -1.806 -0.371) 1.923 6.214 ( -2.942 -2.562 -4.151) 5.696 6.334 ( 3.357 -3.687 0.544) 5.016 6.349 ( 2.514 -3.005 -0.150) 3.921 7.352 ( 2.507 1.349 2.237) 3.620 7.430 ( -1.275 4.165 0.674) 4.408 7.605 ( 1.753 0.667 2.456) 3.091 7.670 ( -2.232 1.765 1.792) 3.363 7.783 ( 1.149 -3.194 1.118) 3.574 7.852 ( -1.057 -0.800 0.528) 1.427 8.064 ( -4.740 -3.622 -1.006) 6.050 8.096 ( -5.803 -4.138 -0.976) 7.194 8.340 ( 3.600 2.891 2.167) 5.100 8.507 ( -3.625 1.594 -1.314) 4.172 8.877 ( -0.690 -7.461 -0.088) 7.494 8.909 ( -2.298 -6.339 -0.694) 6.778 9.530 ( -0.635 4.514 1.121) 4.694 9.562 ( -1.133 4.820 -0.601) 4.988 9.622 ( 2.136 3.793 -0.137) 4.355 9.725 ( -1.123 3.398 -2.681) 4.472 10.256 ( 3.689 -1.228 1.735) 4.257 10.311 ( 1.424 -1.377 0.702) 2.102 10.493 ( 3.772 -1.073 -3.005) 4.940 10.537 ( 1.370 -2.021 -4.058) 4.736 11.180 ( 3.134 3.775 2.045) 5.316 11.193 ( 2.779 4.336 2.156) 5.583 11.633 ( 3.046 -2.007 -2.371) 4.351 11.685 ( 0.555 -2.296 -3.790) 4.466 12.378 ( 2.515 -0.174 6.967) 7.409 12.452 ( 0.687 -0.745 2.967) 3.135 12.554 ( 2.207 0.744 0.425) 2.367 12.723 ( 0.630 -1.592 -1.234) 2.111 12.971 ( -0.149 4.906 -0.454) 4.929 13.027 ( -1.083 6.247 -1.725) 6.570 13.712 ( 3.971 -9.490 3.050) 10.730 13.808 ( -1.292 -10.087 1.394) 10.265 14.204 ( -0.406 4.054 1.291) 4.274 14.259 ( 0.902 2.493 0.625) 2.724 14.342 ( -2.044 4.306 0.896) 4.849 14.469 ( -5.063 0.876 -0.796) 5.199 14.881 ( 1.178 1.651 1.904) 2.782 15.010 ( -5.727 1.244 1.166) 5.975 15.248 ( 1.142 -0.831 -2.378) 2.766 15.464 ( -9.626 -2.767 -8.546) 13.166 16.335 ( 3.607 0.534 2.676) 4.523 16.405 ( -0.365 0.253 4.528) 4.549 16.649 ( 7.278 -0.187 -0.159) 7.282 16.920 ( -5.089 -3.691 -4.115) 7.514 17.402 ( 3.592 2.757 -4.451) 6.349 17.447 ( 1.834 -0.969 -4.580) 5.028 17.696 ( 4.980 -1.630 5.509) 7.603 17.768 ( 2.057 -4.036 3.696) 5.846 18.013 ( 4.290 7.318 2.602) 8.873 18.177 ( -4.788 2.481 -0.857) 5.460 18.609 ( 1.957 -3.739 1.142) 4.372 18.691 ( -0.155 -0.788 1.322) 1.547 18.801 ( 0.059 1.958 0.134) 1.964 18.858 ( 1.463 -5.701 -0.376) 5.898 18.950 ( -0.475 -0.437 -0.527) 0.833 19.104 ( -7.631 -9.129 -3.454) 12.389 19.561 ( 2.163 7.708 0.945) 8.061 19.658 ( -3.644 11.411 -1.617) 12.087 20.289 ( 5.423 -6.669 -0.408) 8.605 20.467 ( -1.358 -6.995 -3.585) 7.976 20.708 ( 1.702 1.840 0.593) 2.576 20.749 ( -0.146 3.010 -0.844) 3.130 20.867 ( 0.955 1.653 0.839) 2.085 21.003 ( -5.110 -3.118 -2.702) 6.567 21.618 ( 2.579 2.413 3.995) 5.332 21.717 ( -1.747 0.923 1.290) 2.360 21.959 ( 0.788 0.599 0.594) 1.154 22.111 ( -6.199 -1.602 -2.624) 6.920 ======================= Grid point 93 (36/72) ======================= q-point: (-0.50 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( -0.598 3.674 2.704) 4.602 1.997 ( 0.598 3.674 2.704) 4.602 2.413 ( -8.483 -2.080 -1.878) 8.934 2.413 ( 8.483 -2.080 -1.878) 8.934 2.571 ( -4.840 -0.481 0.221) 4.869 2.571 ( 4.840 -0.481 0.221) 4.869 2.706 ( -3.559 -0.538 1.220) 3.801 2.706 ( 3.559 -0.538 1.220) 3.801 2.851 ( -4.220 0.017 -1.594) 4.511 2.851 ( 4.220 0.017 -1.594) 4.511 2.974 ( -5.025 2.199 1.037) 5.582 2.974 ( 5.025 2.199 1.037) 5.582 3.117 ( -3.530 -2.095 -1.982) 4.558 3.117 ( 3.530 -2.095 -1.982) 4.558 3.408 ( -4.900 3.199 -4.837) 7.592 3.408 ( 4.900 3.199 -4.837) 7.592 3.568 ( -3.998 1.084 1.893) 4.554 3.568 ( 3.998 1.084 1.893) 4.554 3.927 ( -2.060 -3.684 -2.527) 4.920 3.927 ( 2.060 -3.684 -2.527) 4.920 4.381 ( -3.877 2.502 0.461) 4.637 4.381 ( 3.877 2.502 0.461) 4.637 4.525 ( -3.721 -0.455 1.478) 4.030 4.525 ( 3.721 -0.455 1.478) 4.030 4.662 ( -9.455 0.464 6.328) 11.387 4.662 ( 9.455 0.464 6.328) 11.387 5.086 ( -3.287 -4.408 -0.118) 5.500 5.086 ( 3.287 -4.408 -0.118) 5.500 5.286 ( -2.399 4.971 1.333) 5.678 5.286 ( 2.399 4.971 1.333) 5.678 5.601 ( -4.096 2.595 -1.696) 5.137 5.601 ( 4.096 2.595 -1.696) 5.137 5.716 ( -4.405 2.239 -0.324) 4.952 5.716 ( 4.405 2.239 -0.324) 4.952 6.103 ( -1.569 0.354 -0.760) 1.779 6.103 ( 1.569 0.354 -0.760) 1.779 6.178 ( -1.491 -3.013 -2.294) 4.070 6.178 ( 1.491 -3.013 -2.294) 4.070 6.371 ( -0.377 -3.555 0.574) 3.621 6.371 ( 0.377 -3.555 0.574) 3.621 7.396 ( -2.101 3.212 1.730) 4.209 7.396 ( 2.101 3.212 1.730) 4.209 7.635 ( -1.405 1.447 2.751) 3.411 7.635 ( 1.405 1.447 2.751) 3.411 7.824 ( -2.341 -3.107 -0.129) 3.892 7.824 ( 2.341 -3.107 -0.129) 3.892 8.023 ( -1.284 -3.639 -0.776) 3.936 8.023 ( 1.284 -3.639 -0.776) 3.936 8.424 ( -4.773 2.420 0.409) 5.367 8.424 ( 4.773 2.420 0.409) 5.367 8.878 ( -0.900 -6.391 -0.434) 6.469 8.878 ( 0.900 -6.391 -0.434) 6.469 9.534 ( -1.022 5.357 0.674) 5.495 9.534 ( 1.022 5.357 0.674) 5.495 9.682 ( -3.196 3.113 -1.857) 4.832 9.682 ( 3.196 3.113 -1.857) 4.832 10.308 ( -1.629 -1.524 1.251) 2.557 10.308 ( 1.629 -1.524 1.251) 2.557 10.540 ( -1.132 -1.408 -3.570) 4.001 10.540 ( 1.132 -1.408 -3.570) 4.001 11.214 ( -0.414 3.762 2.373) 4.467 11.214 ( 0.414 3.762 2.373) 4.467 11.675 ( -1.451 -2.251 -2.824) 3.892 11.675 ( 1.451 -2.251 -2.824) 3.892 12.426 ( -2.352 0.478 4.274) 4.902 12.426 ( 2.352 0.478 4.274) 4.902 12.648 ( -6.208 -1.405 -1.154) 6.468 12.648 ( 6.208 -1.405 -1.154) 6.468 13.006 ( -2.431 5.721 -0.443) 6.232 13.006 ( 2.431 5.721 -0.443) 6.232 13.773 ( -2.440 -10.473 2.260) 10.988 13.773 ( 2.440 -10.473 2.260) 10.988 14.229 ( -2.725 4.157 2.165) 5.422 14.229 ( 2.725 4.157 2.165) 5.422 14.374 ( -4.396 2.526 -0.737) 5.124 14.374 ( 4.396 2.526 -0.737) 5.124 14.924 ( -3.285 1.629 1.367) 3.913 14.924 ( 3.285 1.629 1.367) 3.913 15.315 ( -5.847 -2.325 -5.503) 8.359 15.315 ( 5.847 -2.325 -5.503) 8.359 16.385 ( -1.747 0.774 3.994) 4.428 16.385 ( 1.747 0.774 3.994) 4.428 16.796 ( -7.555 -1.546 -2.708) 8.173 16.796 ( 7.555 -1.546 -2.708) 8.173 17.450 ( -1.447 -0.131 -3.783) 4.052 17.450 ( 1.447 -0.131 -3.783) 4.052 17.771 ( -2.135 -3.426 3.461) 5.317 17.771 ( 2.135 -3.426 3.461) 5.317 18.091 ( -4.190 6.169 1.191) 7.552 18.091 ( 4.190 6.169 1.191) 7.552 18.653 ( -2.782 -0.977 2.232) 3.699 18.653 ( 2.782 -0.977 2.232) 3.699 18.853 ( -3.250 -3.056 -1.893) 4.846 18.853 ( 3.250 -3.056 -1.893) 4.846 18.974 ( -4.239 -4.369 -1.135) 6.193 18.974 ( 4.239 -4.369 -1.135) 6.193 19.604 ( -2.383 9.384 0.383) 9.689 19.604 ( 2.383 9.384 0.383) 9.689 20.395 ( -5.350 -7.653 -3.141) 9.852 20.395 ( 5.350 -7.653 -3.141) 9.852 20.737 ( -1.289 2.933 0.471) 3.239 20.737 ( 1.289 2.933 0.471) 3.239 20.915 ( -3.874 -1.210 -0.450) 4.084 20.915 ( 3.874 -1.210 -0.450) 4.084 21.673 ( -2.803 2.346 2.390) 4.368 21.673 ( 2.803 2.346 2.390) 4.368 22.008 ( -4.285 -0.965 -1.159) 4.542 22.008 ( 4.285 -0.965 -1.159) 4.542 ======================= Grid point 99 (37/72) ======================= q-point: ( 0.00 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( 0.000 22.629 15.949) 27.685 1.264 ( 0.000 23.732 14.618) 27.872 1.966 ( 0.000 -11.111 14.391) 18.181 2.096 ( 0.000 -15.014 2.508) 15.222 2.137 ( 0.000 29.742 11.522) 31.895 2.291 ( 0.000 7.859 -7.184) 10.648 2.486 ( 0.000 11.883 -8.482) 14.600 2.644 ( 0.000 -5.845 -4.068) 7.122 2.832 ( 0.000 -11.276 -2.587) 11.569 3.015 ( 0.000 0.395 -1.921) 1.961 3.081 ( 0.000 0.877 2.321) 2.481 3.112 ( 0.000 -0.556 4.175) 4.212 3.263 ( 0.000 -6.518 6.274) 9.047 3.409 ( 0.000 4.088 -5.096) 6.533 3.458 ( 0.000 -2.241 3.593) 4.234 3.541 ( 0.000 -1.722 1.896) 2.561 3.628 ( 0.000 0.416 1.148) 1.221 3.762 ( 0.000 -10.795 0.030) 10.795 3.775 ( 0.000 -2.664 0.213) 2.673 4.022 ( 0.000 7.417 -1.066) 7.494 4.071 ( 0.000 -9.320 -1.875) 9.506 4.199 ( 0.000 2.389 -11.003) 11.259 4.347 ( 0.000 -2.948 -7.164) 7.747 4.556 ( 0.000 -5.262 -0.632) 5.300 4.661 ( 0.000 3.726 -3.004) 4.786 4.967 ( 0.000 -7.263 -6.756) 9.919 5.141 ( 0.000 7.147 -7.130) 10.095 5.272 ( 0.000 3.987 -2.146) 4.528 5.297 ( 0.000 7.662 2.973) 8.219 5.475 ( 0.000 1.036 1.955) 2.213 5.513 ( 0.000 -0.564 2.181) 2.253 5.588 ( 0.000 3.595 -0.438) 3.621 5.689 ( 0.000 -6.118 4.516) 7.604 5.715 ( 0.000 1.436 -4.648) 4.865 5.891 ( 0.000 4.158 -7.350) 8.445 5.976 ( 0.000 0.446 0.874) 0.981 6.034 ( 0.000 1.039 2.377) 2.594 6.151 ( 0.000 0.059 1.532) 1.533 6.360 ( 0.000 -2.997 6.735) 7.371 6.470 ( 0.000 -5.854 4.552) 7.415 7.352 ( 0.000 2.085 0.357) 2.115 7.387 ( 0.000 0.216 0.706) 0.739 7.697 ( 0.000 0.054 1.674) 1.675 7.767 ( 0.000 -1.766 1.469) 2.297 7.807 ( 0.000 1.824 -1.008) 2.084 7.910 ( 0.000 -1.688 -2.744) 3.222 8.090 ( 0.000 -0.250 3.663) 3.671 8.217 ( 0.000 -4.961 -0.689) 5.008 8.535 ( 0.000 4.006 3.914) 5.601 8.867 ( 0.000 -10.201 1.802) 10.359 8.938 ( 0.000 4.249 -5.792) 7.183 9.076 ( 0.000 -3.576 -3.083) 4.722 9.553 ( 0.000 1.523 0.374) 1.568 9.599 ( 0.000 -0.996 2.482) 2.674 9.649 ( 0.000 1.340 -0.328) 1.380 9.720 ( 0.000 -1.902 0.143) 1.907 9.956 ( 0.000 2.706 -0.312) 2.724 10.081 ( 0.000 -1.880 -2.353) 3.012 10.120 ( 0.000 1.759 -1.213) 2.137 10.189 ( 0.000 -1.722 -2.110) 2.723 10.841 ( 0.000 7.097 -2.610) 7.561 10.886 ( 0.000 8.583 -2.747) 9.012 11.083 ( 0.000 -4.624 1.979) 5.030 11.260 ( 0.000 -8.564 -2.124) 8.823 12.229 ( 0.000 -0.641 9.350) 9.372 12.334 ( 0.000 -4.438 7.488) 8.704 12.552 ( 0.000 0.579 0.761) 0.956 12.592 ( 0.000 -1.319 1.552) 2.036 12.959 ( 0.000 4.424 7.922) 9.074 13.188 ( 0.000 -5.686 0.934) 5.763 13.730 ( 0.000 5.073 -8.468) 9.872 13.883 ( 0.000 -1.166 -11.013) 11.074 14.302 ( 0.000 2.400 9.242) 9.549 14.482 ( 0.000 -5.184 10.269) 11.504 14.794 ( 0.000 3.429 -2.776) 4.412 14.868 ( 0.000 -0.582 -1.051) 1.202 14.974 ( 0.000 6.014 -1.379) 6.170 15.127 ( 0.000 -1.734 -3.348) 3.771 15.753 ( 0.000 3.023 -0.703) 3.104 15.852 ( 0.000 -1.609 -4.467) 4.748 16.154 ( 0.000 0.883 -0.111) 0.890 16.306 ( 0.000 -3.516 2.023) 4.056 16.448 ( 0.000 -4.021 1.231) 4.205 16.595 ( 0.000 -7.222 -0.365) 7.232 17.061 ( 0.000 4.865 0.511) 4.892 17.105 ( 0.000 1.640 -0.176) 1.649 17.474 ( 0.000 -2.397 1.194) 2.678 17.519 ( 0.000 -5.095 -0.880) 5.171 17.927 ( 0.000 5.098 5.380) 7.412 18.158 ( 0.000 -5.948 -0.568) 5.975 18.441 ( 0.000 6.265 0.113) 6.266 18.632 ( 0.000 -1.036 -4.531) 4.648 18.914 ( 0.000 2.913 1.609) 3.328 19.014 ( 0.000 -1.698 2.209) 2.786 19.101 ( 0.000 1.151 -0.318) 1.194 19.126 ( 0.000 0.333 -2.110) 2.136 19.571 ( 0.000 6.982 2.327) 7.360 19.843 ( 0.000 -3.600 3.781) 5.220 20.074 ( 0.000 6.043 -9.449) 11.216 20.270 ( 0.000 -1.522 -6.590) 6.764 20.657 ( 0.000 8.222 3.338) 8.873 20.855 ( 0.000 -1.655 0.875) 1.872 21.071 ( 0.000 2.560 -8.534) 8.909 21.134 ( 0.000 -0.187 -7.748) 7.750 21.665 ( 0.000 -2.184 3.904) 4.473 21.678 ( 0.000 -3.043 4.669) 5.573 22.210 ( 0.000 -0.099 3.262) 3.263 22.323 ( 0.000 -4.664 0.028) 4.664 ======================= Grid point 100 (38/72) ======================= q-point: ( 0.10 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( 6.843 21.972 13.895) 26.882 1.353 ( 10.484 19.898 14.502) 26.761 1.990 ( 2.595 -12.597 12.350) 17.831 2.143 ( 4.096 -14.532 3.715) 15.548 2.267 ( 10.161 15.481 3.281) 18.807 2.346 ( 5.769 11.082 -7.847) 14.753 2.531 ( 4.661 11.160 -3.918) 12.713 2.676 ( 4.073 -3.274 -3.705) 6.406 2.852 ( 1.877 -9.744 -2.660) 10.273 2.993 ( -1.550 0.422 -0.347) 1.643 3.064 ( -2.716 -0.413 2.767) 3.899 3.127 ( 1.833 0.912 2.320) 3.094 3.248 ( -0.869 -4.281 5.176) 6.773 3.393 ( -2.198 1.722 -4.134) 4.989 3.437 ( -1.444 2.476 1.996) 3.492 3.532 ( -0.744 -1.663 1.800) 2.561 3.619 ( -0.911 -0.401 2.087) 2.312 3.727 ( -2.022 -3.693 -1.105) 4.353 3.806 ( 1.260 -5.984 0.652) 6.150 3.963 ( -5.316 2.840 -2.740) 6.620 4.044 ( -3.328 -2.993 -1.970) 4.890 4.213 ( 2.028 -4.733 -4.953) 7.144 4.376 ( 2.457 -1.122 -7.928) 8.376 4.557 ( -0.259 -3.636 1.319) 3.876 4.652 ( -0.469 3.947 -4.670) 6.132 4.964 ( -0.725 -6.229 -6.409) 8.967 5.079 ( -5.286 7.820 -5.037) 10.699 5.233 ( -3.351 1.075 -4.300) 5.556 5.341 ( 3.663 9.374 2.904) 10.475 5.473 ( 0.777 2.555 2.538) 3.684 5.529 ( -1.661 3.511 2.312) 4.520 5.599 ( 3.687 1.175 1.426) 4.124 5.699 ( 3.710 -4.155 2.970) 6.312 5.775 ( 2.978 -2.575 -2.138) 4.480 5.912 ( 1.839 3.109 -6.712) 7.622 5.990 ( 1.022 -0.943 -1.349) 1.937 6.049 ( 1.289 1.260 3.366) 3.818 6.161 ( 0.461 1.027 1.839) 2.156 6.332 ( -2.929 -3.274 5.022) 6.672 6.427 ( -3.920 -7.207 2.913) 8.706 7.317 ( -1.962 2.559 1.652) 3.623 7.410 ( 1.053 -0.966 -0.070) 1.431 7.678 ( -1.941 0.571 1.297) 2.403 7.741 ( -1.846 -0.989 0.499) 2.153 7.822 ( 0.866 2.050 0.133) 2.229 7.923 ( 1.332 -0.910 -2.066) 2.621 8.081 ( -0.618 -0.258 3.409) 3.474 8.242 ( 1.545 -6.814 -1.006) 7.059 8.503 ( -2.839 5.201 3.388) 6.826 8.816 ( -6.930 -4.229 -0.270) 8.123 8.855 ( -5.053 -0.985 -1.613) 5.395 9.023 ( -4.852 -5.899 -1.948) 7.883 9.505 ( -0.644 2.135 2.446) 3.310 9.605 ( -0.202 -2.439 1.560) 2.902 9.716 ( 3.652 2.622 -2.300) 5.050 9.754 ( 1.895 0.679 -1.718) 2.646 10.013 ( 5.320 2.054 -1.016) 5.792 10.104 ( 0.542 1.498 -1.013) 1.888 10.159 ( 5.468 -1.740 -1.762) 6.003 10.231 ( 4.048 -3.203 -2.168) 5.599 10.911 ( 6.863 7.765 -1.960) 10.546 10.936 ( 5.340 7.318 -0.886) 9.102 11.196 ( 9.734 -4.131 -1.319) 10.656 11.319 ( 5.818 -7.839 -2.429) 10.060 12.235 ( 0.735 -0.869 9.446) 9.514 12.323 ( -0.820 -3.956 7.567) 8.578 12.565 ( 1.133 0.771 0.747) 1.561 12.603 ( 1.000 -1.597 1.164) 2.215 12.974 ( 1.524 7.146 6.818) 9.993 13.228 ( 3.701 -6.102 1.045) 7.213 13.666 ( -5.961 3.732 -6.907) 9.857 13.822 ( -6.182 -3.011 -9.882) 12.039 14.285 ( -1.717 2.452 7.807) 8.361 14.423 ( -4.848 -3.228 8.141) 10.010 14.671 ( -7.445 6.466 -3.223) 10.374 14.780 ( -6.694 -0.224 -1.968) 6.981 15.041 ( 1.565 2.143 2.016) 3.333 15.140 ( 0.600 -1.626 -1.041) 2.022 15.681 ( -6.931 4.924 -0.878) 8.548 15.867 ( -0.260 -4.291 -6.200) 7.545 16.134 ( 0.293 2.526 1.170) 2.799 16.275 ( -2.563 -1.264 0.295) 2.873 16.500 ( 3.671 -4.339 2.189) 6.091 16.643 ( 4.290 -8.426 -0.839) 9.492 17.118 ( 3.950 2.521 0.016) 4.686 17.166 ( 7.073 1.732 -0.191) 7.285 17.488 ( 2.018 -1.225 1.138) 2.621 17.588 ( 5.433 -4.899 -1.984) 7.580 17.945 ( 1.634 6.034 4.361) 7.622 18.185 ( 2.654 -6.089 -1.348) 6.777 18.447 ( 0.459 5.045 0.654) 5.108 18.634 ( -0.026 -1.923 -3.660) 4.135 18.864 ( -4.162 2.487 1.737) 5.150 18.974 ( -3.844 0.633 0.273) 3.905 19.028 ( -3.151 0.507 1.378) 3.476 19.158 ( -0.332 -3.983 -1.650) 4.324 19.613 ( 3.585 7.660 2.451) 8.805 19.857 ( 1.698 -2.011 2.595) 3.696 20.091 ( 0.780 4.020 -6.172) 7.407 20.283 ( 1.532 -2.457 -7.036) 7.608 20.658 ( 0.177 7.901 3.290) 8.561 20.855 ( -0.025 -1.394 1.213) 1.848 21.039 ( -3.377 2.955 -7.018) 8.330 21.126 ( -0.762 -1.270 -7.950) 8.087 21.652 ( -1.974 -2.369 5.393) 6.212 21.668 ( 0.148 -2.456 3.135) 3.985 22.167 ( -3.259 2.843 2.996) 5.261 22.327 ( -0.796 -5.497 -1.424) 5.734 ======================= Grid point 101 (39/72) ======================= q-point: ( 0.20 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( 13.697 14.006 10.874) 22.406 1.616 ( 15.644 15.154 10.934) 24.370 2.059 ( 4.367 -11.868 8.724) 15.363 2.208 ( 2.007 -12.664 3.176) 13.210 2.388 ( 3.365 2.936 -8.092) 9.242 2.468 ( 5.010 3.945 -4.335) 7.711 2.680 ( 8.023 -0.685 -4.809) 9.379 2.782 ( 4.728 2.818 0.690) 5.547 2.890 ( 2.009 -0.376 -1.564) 2.574 2.980 ( -0.088 -2.127 0.596) 2.211 3.013 ( -0.511 -0.479 2.016) 2.134 3.142 ( -0.452 -1.453 0.190) 1.534 3.275 ( 2.420 3.504 3.771) 5.688 3.312 ( -4.192 1.671 -1.512) 4.759 3.420 ( -0.317 6.195 -2.723) 6.775 3.521 ( -1.007 -0.423 0.869) 1.396 3.593 ( -1.076 -0.887 3.841) 4.086 3.678 ( -3.461 2.077 0.310) 4.048 3.809 ( -1.794 -3.921 -0.789) 4.383 3.849 ( -4.609 -2.340 -4.068) 6.577 3.982 ( -1.891 2.055 0.769) 2.897 4.277 ( 4.224 -11.083 -0.041) 11.861 4.411 ( 0.945 2.190 -3.807) 4.493 4.545 ( -0.373 -0.018 1.742) 1.782 4.658 ( 0.827 2.158 -3.643) 4.314 4.922 ( -3.154 3.900 -6.630) 8.314 4.998 ( -2.888 1.072 -4.438) 5.402 5.168 ( -2.682 -2.582 -2.838) 4.681 5.406 ( 2.173 7.098 3.024) 8.016 5.475 ( -1.980 4.618 2.834) 5.769 5.517 ( 1.653 5.403 3.684) 6.745 5.669 ( 3.509 1.383 -0.070) 3.772 5.786 ( 3.319 -4.450 2.126) 5.945 5.828 ( 1.913 2.009 -2.373) 3.651 5.951 ( 2.478 -0.468 -1.962) 3.195 6.018 ( 2.718 -4.478 -1.510) 5.451 6.067 ( 0.539 0.504 2.466) 2.574 6.153 ( -1.091 1.369 2.250) 2.851 6.265 ( -3.314 -3.512 0.897) 4.912 6.345 ( -4.339 -7.765 -0.442) 8.906 7.301 ( 0.535 2.834 2.586) 3.873 7.426 ( 1.057 -1.972 0.538) 2.301 7.638 ( -1.834 2.061 0.518) 2.807 7.712 ( -1.100 -0.741 -0.146) 1.335 7.825 ( -0.785 2.300 1.419) 2.814 7.949 ( 0.830 0.882 -1.331) 1.799 8.065 ( -1.355 -2.264 2.538) 3.661 8.240 ( -2.229 -7.191 -1.181) 7.621 8.442 ( -3.596 5.508 2.396) 7.000 8.668 ( -6.448 0.728 -0.922) 6.554 8.771 ( -3.726 -6.004 0.677) 7.098 8.923 ( -5.227 -7.842 -1.476) 9.539 9.529 ( 2.376 2.287 2.315) 4.029 9.613 ( 0.885 -0.841 1.288) 1.775 9.730 ( -0.553 3.891 -2.280) 4.544 9.795 ( 1.426 2.157 -2.880) 3.870 10.111 ( 3.584 1.557 -0.271) 3.917 10.148 ( 4.616 0.868 -0.065) 4.698 10.265 ( 5.574 -1.542 -1.576) 5.994 10.329 ( 5.537 -4.685 -3.314) 7.974 11.067 ( 7.646 6.613 0.309) 10.114 11.074 ( 9.163 7.703 -0.609) 11.986 11.378 ( 8.426 -3.108 -2.767) 9.398 11.457 ( 7.732 -6.137 -3.939) 10.628 12.262 ( 2.134 -0.986 9.284) 9.577 12.319 ( 0.832 -3.191 6.806) 7.563 12.593 ( 1.800 1.029 0.943) 2.278 12.620 ( 0.614 -0.593 0.274) 0.896 13.014 ( 2.603 10.384 4.027) 11.437 13.296 ( 2.090 -3.225 0.252) 3.851 13.536 ( -6.859 -0.818 -3.544) 7.764 13.686 ( -6.097 -7.937 -5.509) 11.424 14.251 ( -1.097 3.199 4.456) 5.594 14.354 ( -2.267 -0.951 2.818) 3.739 14.551 ( -5.549 5.040 -1.003) 7.563 14.655 ( -5.902 -0.675 -2.116) 6.306 15.013 ( -3.517 2.803 4.271) 6.202 15.130 ( -1.763 -2.845 1.903) 3.850 15.522 ( -8.932 7.045 -2.082) 11.565 15.784 ( -8.420 -6.553 -9.094) 14.020 16.175 ( 3.689 2.470 1.945) 4.847 16.274 ( 2.693 -1.713 1.548) 3.547 16.550 ( 1.964 0.500 2.920) 3.555 16.746 ( 5.862 -8.817 -1.266) 10.663 17.212 ( 6.064 2.426 -0.444) 6.546 17.314 ( 7.318 -0.472 -0.847) 7.382 17.540 ( 2.992 0.547 -0.343) 3.061 17.674 ( 2.808 -2.397 -1.674) 4.054 17.988 ( 3.167 7.470 3.119) 8.692 18.240 ( 2.392 -4.770 -2.394) 5.849 18.451 ( -0.126 0.297 1.922) 1.948 18.619 ( -1.644 -5.234 -2.218) 5.918 18.802 ( -1.796 3.027 2.121) 4.110 18.912 ( -2.128 3.276 -0.885) 4.005 18.992 ( -0.739 -3.394 1.717) 3.874 19.117 ( -3.398 -6.238 -1.517) 7.264 19.666 ( 1.509 8.709 2.351) 9.146 19.905 ( 2.589 -0.556 -0.743) 2.750 20.090 ( -0.396 2.842 -0.805) 2.980 20.321 ( 2.003 -4.789 -5.684) 7.697 20.667 ( 0.918 6.447 2.589) 7.007 20.851 ( -0.666 -0.694 1.092) 1.455 20.963 ( -3.800 3.396 -4.430) 6.753 21.094 ( -2.943 -3.574 -6.856) 8.272 21.618 ( -1.034 0.050 5.278) 5.378 21.681 ( 1.095 -2.722 2.253) 3.699 22.105 ( -3.359 4.529 1.602) 5.862 22.277 ( -4.166 -4.710 -2.628) 6.815 ======================= Grid point 102 (40/72) ======================= q-point: ( 0.30 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( 16.670 5.679 6.079) 18.631 1.907 ( 13.979 9.918 7.473) 18.699 2.132 ( 1.640 -8.063 4.085) 9.186 2.235 ( 2.721 -5.252 2.158) 6.296 2.448 ( 3.551 -0.301 -0.136) 3.566 2.524 ( 1.281 -3.695 -4.759) 6.160 2.744 ( -0.616 -0.876 -3.688) 3.840 2.775 ( -3.285 0.129 -4.038) 5.207 2.945 ( -1.143 -0.956 -3.000) 3.350 2.966 ( 2.378 1.401 0.016) 2.759 3.022 ( -1.676 -0.509 -0.539) 1.833 3.136 ( -1.055 -0.952 0.032) 1.421 3.196 ( -3.444 -1.524 -0.360) 3.783 3.271 ( -6.187 -1.572 -2.836) 6.985 3.447 ( -3.233 4.642 -3.000) 6.404 3.476 ( -1.049 5.575 3.464) 6.646 3.616 ( 2.393 4.926 -0.245) 5.482 3.650 ( 2.533 -0.849 3.237) 4.197 3.749 ( -0.473 -1.986 0.013) 2.041 3.835 ( 0.687 -3.140 -1.665) 3.620 4.003 ( 5.454 5.828 2.379) 8.329 4.345 ( 2.429 -7.772 4.956) 9.532 4.436 ( 2.473 1.343 0.408) 2.844 4.554 ( 1.036 1.125 -1.345) 2.036 4.667 ( 0.164 2.308 -0.070) 2.315 4.854 ( -4.127 8.244 -0.502) 9.233 4.979 ( 0.720 -2.534 -7.572) 8.017 5.122 ( -2.748 -5.724 -3.297) 7.155 5.395 ( -2.623 4.460 4.785) 7.048 5.459 ( 0.869 3.803 2.357) 4.558 5.546 ( 0.180 4.381 1.168) 4.538 5.705 ( -0.986 2.577 -2.178) 3.515 5.806 ( -0.163 3.904 0.385) 3.926 5.824 ( -0.631 0.673 1.625) 1.869 6.011 ( 3.098 -3.394 -0.336) 4.608 6.074 ( 1.692 -1.548 0.327) 2.317 6.106 ( 3.112 -4.276 -0.962) 5.375 6.142 ( 1.178 -0.470 1.644) 2.077 6.225 ( -0.995 -5.530 -0.839) 5.681 6.273 ( -2.546 -4.141 -2.182) 5.328 7.336 ( 2.938 3.160 2.980) 5.244 7.463 ( 2.972 -1.102 1.185) 3.384 7.611 ( -1.163 2.576 0.399) 2.855 7.702 ( 0.036 -1.056 -0.609) 1.220 7.788 ( -3.028 2.080 2.678) 4.546 7.929 ( -3.119 2.984 -0.420) 4.337 8.023 ( -2.949 -6.319 0.669) 7.005 8.151 ( -6.929 -5.658 -1.626) 9.092 8.388 ( -0.841 5.710 2.648) 6.350 8.590 ( -2.426 0.820 -0.872) 2.705 8.726 ( -1.036 -7.360 0.175) 7.435 8.836 ( -3.720 -7.370 -1.410) 8.375 9.577 ( 2.470 2.941 1.364) 4.076 9.632 ( 1.219 2.008 1.263) 2.667 9.719 ( -0.895 4.827 -1.403) 5.106 9.803 ( -0.280 2.577 -2.470) 3.581 10.172 ( 3.094 0.395 1.300) 3.380 10.230 ( 3.387 -1.558 0.117) 3.730 10.376 ( 5.697 -1.407 -2.217) 6.273 10.425 ( 4.348 -3.855 -3.754) 6.918 11.198 ( 5.699 6.525 1.101) 8.733 11.225 ( 6.055 7.027 0.499) 9.290 11.508 ( 5.175 -2.938 -2.404) 6.418 11.577 ( 4.316 -4.847 -4.284) 7.776 12.315 ( 3.337 -0.304 7.970) 8.646 12.361 ( 3.453 -2.369 4.874) 6.426 12.599 ( -1.070 1.876 0.501) 2.217 12.656 ( 2.912 -0.452 -0.176) 2.952 13.065 ( 2.555 9.511 0.936) 9.893 13.246 ( -6.174 6.047 -3.029) 9.157 13.477 ( 0.998 -8.821 2.207) 9.147 13.622 ( -1.508 -11.453 -1.004) 11.596 14.250 ( 0.672 2.754 1.602) 3.257 14.319 ( -1.597 0.630 0.601) 1.819 14.464 ( -3.367 3.989 0.102) 5.221 14.559 ( -4.357 -0.730 -1.528) 4.675 14.944 ( -2.847 3.437 4.231) 6.150 15.080 ( -3.173 -3.210 2.668) 5.243 15.360 ( -7.695 5.932 -3.025) 10.177 15.589 ( -10.898 -5.483 -8.630) 14.944 16.263 ( 5.000 1.206 2.398) 5.675 16.343 ( 3.831 -2.869 3.358) 5.846 16.593 ( 2.803 4.121 1.544) 5.217 16.831 ( 2.348 -7.871 -2.230) 8.512 17.338 ( 6.610 1.517 -1.629) 6.975 17.431 ( 4.983 0.150 -1.438) 5.189 17.584 ( 1.259 0.421 -1.150) 1.756 17.706 ( 1.389 -0.234 0.507) 1.497 18.067 ( 4.792 7.731 2.270) 9.375 18.260 ( -0.212 0.470 -2.052) 2.116 18.451 ( 0.525 -6.552 3.116) 7.274 18.594 ( -0.353 -8.484 -1.572) 8.636 18.787 ( -0.178 3.407 2.023) 3.966 18.887 ( -0.938 2.164 -0.374) 2.388 18.984 ( -0.747 -1.503 0.012) 1.678 19.046 ( -3.781 -6.344 -1.607) 7.558 19.687 ( 1.312 9.492 1.938) 9.776 19.919 ( -1.311 5.302 -3.988) 6.763 20.097 ( 1.273 -2.567 3.232) 4.319 20.343 ( -0.012 -7.340 -3.449) 8.110 20.695 ( 1.972 4.014 1.206) 4.631 20.827 ( -1.590 0.892 -0.926) 2.045 20.912 ( -1.574 2.096 -1.641) 3.093 21.018 ( -4.524 -4.420 -4.157) 7.569 21.624 ( 1.657 2.262 4.274) 5.112 21.706 ( 1.489 -1.857 1.752) 2.956 22.037 ( -3.664 3.818 0.436) 5.310 22.180 ( -5.720 -3.557 -2.741) 7.272 ======================= Grid point 103 (41/72) ======================= q-point: ( 0.40 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( 6.059 3.616 1.627) 7.241 2.094 ( -0.078 2.165 3.556) 4.164 2.162 ( 11.054 1.632 3.220) 11.629 2.329 ( 5.742 -5.193 2.278) 8.070 2.515 ( 3.934 -0.216 1.307) 4.151 2.581 ( 4.200 -3.307 -2.795) 6.032 2.662 ( -3.940 1.158 -5.723) 7.044 2.741 ( -3.323 -1.905 -2.157) 4.396 2.877 ( -4.015 2.565 -2.481) 5.371 2.933 ( -3.517 0.850 0.571) 3.663 3.013 ( -2.979 -0.293 -4.866) 5.714 3.065 ( -3.993 0.407 3.467) 5.304 3.111 ( -5.469 -2.225 -1.880) 6.196 3.217 ( 1.085 -1.076 2.150) 2.638 3.393 ( -2.611 5.150 -1.456) 5.954 3.459 ( 1.495 3.140 -0.552) 3.522 3.585 ( -2.459 -0.914 -1.260) 2.910 3.681 ( -1.427 4.356 -0.416) 4.602 3.795 ( 2.727 -5.976 -0.152) 6.571 3.846 ( 0.056 -4.158 -0.723) 4.221 4.214 ( 13.781 4.214 3.175) 14.756 4.402 ( 4.486 -1.350 6.845) 8.295 4.470 ( -0.120 -0.201 1.939) 1.953 4.570 ( -0.472 -1.366 -1.095) 1.813 4.670 ( 0.831 6.898 -0.733) 6.986 4.785 ( -2.794 5.232 2.806) 6.561 4.984 ( -0.507 -3.689 -2.727) 4.615 5.060 ( -3.624 -6.700 -4.007) 8.607 5.363 ( -0.151 5.808 2.739) 6.423 5.459 ( -2.726 5.071 1.899) 6.062 5.533 ( 1.033 -0.877 -0.532) 1.456 5.655 ( -3.274 -2.364 -1.895) 4.461 5.807 ( 0.676 6.625 0.568) 6.684 5.830 ( 0.217 6.588 0.645) 6.623 6.054 ( 1.906 -4.074 -1.372) 4.702 6.107 ( 1.423 -0.482 -0.137) 1.508 6.115 ( -0.338 -0.815 -1.214) 1.501 6.164 ( -1.660 -2.104 -1.855) 3.259 6.237 ( 2.893 -6.195 0.701) 6.874 6.270 ( 1.197 -5.293 0.226) 5.431 7.404 ( 4.024 4.144 2.850) 6.441 7.517 ( 0.829 3.845 0.499) 3.965 7.603 ( 1.497 -0.629 1.815) 2.436 7.710 ( -0.372 -1.255 0.458) 1.387 7.722 ( -2.247 1.027 2.422) 3.460 7.851 ( -4.442 1.033 0.095) 4.561 7.963 ( -2.933 -6.746 -0.769) 7.396 8.010 ( -6.635 -4.896 -1.022) 8.309 8.417 ( 3.253 5.396 1.599) 6.501 8.548 ( -2.482 2.535 -0.891) 3.658 8.724 ( 0.604 -7.866 -0.267) 7.894 8.781 ( -2.249 -6.923 -1.223) 7.381 9.615 ( 1.582 4.448 1.060) 4.838 9.669 ( 2.025 4.396 0.171) 4.843 9.693 ( -1.014 4.551 -0.020) 4.662 9.786 ( -1.666 2.302 -1.922) 3.431 10.228 ( 2.721 -1.253 1.611) 3.401 10.272 ( 0.990 -2.687 0.923) 3.009 10.466 ( 3.536 -1.528 -3.022) 4.896 10.489 ( 2.250 -2.771 -3.910) 5.294 11.279 ( 2.889 6.373 1.525) 7.161 11.300 ( 2.044 6.492 1.360) 6.940 11.579 ( 2.577 -3.531 -2.304) 4.942 11.621 ( 0.656 -4.513 -3.251) 5.601 12.383 ( 3.525 0.724 5.582) 6.642 12.431 ( 2.975 -1.412 3.587) 4.870 12.580 ( -0.194 2.090 0.102) 2.102 12.681 ( -1.255 -2.800 -1.070) 3.250 13.104 ( 1.741 8.899 0.143) 9.068 13.169 ( -1.301 8.863 -1.606) 9.100 13.515 ( 2.278 -11.028 2.434) 11.521 13.595 ( -1.677 -12.114 0.559) 12.242 14.266 ( 0.978 2.724 1.354) 3.195 14.303 ( -0.056 1.548 1.035) 1.863 14.420 ( -1.450 3.670 -0.227) 3.953 14.482 ( -3.812 0.270 -0.826) 3.910 14.924 ( 0.766 2.908 2.558) 3.948 15.020 ( -3.034 -0.724 1.862) 3.633 15.250 ( -3.093 1.675 -3.005) 4.626 15.396 ( -8.990 -4.433 -6.751) 12.085 16.350 ( 3.865 1.059 3.181) 5.116 16.401 ( 1.785 -0.924 4.663) 5.078 16.661 ( 4.371 1.909 -1.111) 4.898 16.828 ( -2.471 -5.834 -2.749) 6.907 17.438 ( 3.524 1.326 -2.117) 4.320 17.495 ( 1.084 5.583 -4.086) 7.003 17.614 ( 3.301 -5.025 2.263) 6.424 17.726 ( 0.039 -2.522 0.215) 2.532 18.155 ( 4.089 7.549 1.521) 8.719 18.246 ( -1.035 5.596 -0.838) 5.752 18.482 ( 2.949 -9.053 3.221) 10.051 18.595 ( -0.492 -9.839 0.112) 9.851 18.797 ( 1.523 2.461 1.015) 3.067 18.870 ( -0.742 2.118 -0.668) 2.342 18.943 ( -3.274 -0.677 -1.141) 3.533 18.981 ( -3.029 -3.748 -1.370) 5.010 19.728 ( 3.038 9.997 1.367) 10.537 19.869 ( -3.496 10.830 -1.870) 11.533 20.140 ( 3.387 -8.701 1.211) 9.415 20.311 ( -3.477 -9.771 -2.475) 10.662 20.738 ( 2.441 2.118 0.484) 3.268 20.802 ( -0.949 1.504 -1.439) 2.288 20.892 ( -0.655 0.890 -0.677) 1.295 20.939 ( -3.459 -3.063 -1.886) 4.990 21.672 ( 3.026 3.085 3.321) 5.450 21.731 ( 0.842 0.303 1.997) 2.189 21.978 ( -1.937 1.576 -0.569) 2.561 22.070 ( -5.536 -2.699 -2.320) 6.582 ======================= Grid point 104 (42/72) ======================= q-point: (-0.50 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( -0.945 4.133 2.315) 4.830 2.075 ( 0.945 4.133 2.315) 4.830 2.365 ( -5.981 -2.638 -0.121) 6.538 2.365 ( 5.981 -2.638 -0.121) 6.538 2.572 ( -4.004 0.776 -0.560) 4.117 2.572 ( 4.004 0.776 -0.560) 4.117 2.679 ( -4.889 -2.675 -2.169) 5.980 2.679 ( 4.889 -2.675 -2.169) 5.980 2.861 ( -3.742 1.948 -2.042) 4.687 2.861 ( 3.742 1.948 -2.042) 4.687 2.972 ( -3.271 -2.386 -0.792) 4.125 2.972 ( 3.271 -2.386 -0.792) 4.125 3.154 ( -5.897 4.954 2.888) 8.225 3.154 ( 5.897 4.954 2.888) 8.225 3.429 ( -4.421 -1.034 -1.000) 4.649 3.429 ( 4.421 -1.034 -1.000) 4.649 3.614 ( -4.623 3.966 -0.808) 6.144 3.614 ( 4.623 3.966 -0.808) 6.144 3.834 ( -1.417 -5.967 -1.701) 6.365 3.834 ( 1.417 -5.967 -1.701) 6.365 4.411 ( -6.335 0.874 2.270) 6.786 4.411 ( 6.335 0.874 2.270) 6.786 4.511 ( -5.377 -1.693 3.182) 6.474 4.511 ( 5.377 -1.693 3.182) 6.474 4.722 ( -4.007 6.448 1.380) 7.716 4.722 ( 4.007 6.448 1.380) 7.716 4.995 ( -2.426 -5.613 -1.936) 6.414 4.995 ( 2.426 -5.613 -1.936) 6.414 5.392 ( -2.951 6.293 1.716) 7.159 5.392 ( 2.951 6.293 1.716) 7.159 5.587 ( -3.658 -3.232 -1.612) 5.141 5.587 ( 3.658 -3.232 -1.612) 5.141 5.824 ( -0.772 7.588 0.165) 7.629 5.824 ( 0.772 7.588 0.165) 7.629 6.092 ( -1.926 -2.995 -1.622) 3.913 6.092 ( 1.926 -2.995 -1.622) 3.913 6.132 ( -1.304 0.117 -1.328) 1.864 6.132 ( 1.304 0.117 -1.328) 1.864 6.277 ( -0.869 -6.128 1.182) 6.301 6.277 ( 0.869 -6.128 1.182) 6.301 7.480 ( -3.551 5.485 1.793) 6.776 7.480 ( 3.551 5.485 1.793) 6.776 7.655 ( -2.763 -0.406 2.365) 3.660 7.655 ( 2.763 -0.406 2.365) 3.660 7.766 ( -4.252 -1.601 0.329) 4.555 7.766 ( 4.252 -1.601 0.329) 4.555 7.936 ( -0.849 -5.398 -1.024) 5.559 7.936 ( 0.849 -5.398 -1.024) 5.559 8.488 ( -3.742 4.387 0.115) 5.767 8.488 ( 3.742 4.387 0.115) 5.767 8.745 ( -1.557 -7.309 -0.840) 7.520 8.745 ( 1.557 -7.309 -0.840) 7.520 9.647 ( -1.888 6.178 0.723) 6.501 9.647 ( 1.888 6.178 0.723) 6.501 9.738 ( -3.179 2.196 -0.948) 3.979 9.738 ( 3.179 2.196 -0.948) 3.979 10.268 ( -1.284 -2.404 1.439) 3.082 10.268 ( 1.284 -2.404 1.439) 3.082 10.505 ( -0.578 -1.976 -3.674) 4.211 10.505 ( 0.578 -1.976 -3.674) 4.211 11.312 ( -0.613 6.270 1.659) 6.515 11.312 ( 0.613 6.270 1.659) 6.515 11.614 ( -1.171 -4.183 -2.508) 5.015 11.614 ( 1.171 -4.183 -2.508) 5.015 12.439 ( -1.973 0.807 3.927) 4.468 12.439 ( 1.973 0.807 3.927) 4.468 12.620 ( -3.926 -1.420 -0.792) 4.249 12.620 ( 3.926 -1.420 -0.792) 4.249 13.145 ( -2.043 9.121 -0.115) 9.348 13.145 ( 2.043 9.121 -0.115) 9.348 13.557 ( -2.158 -12.211 1.098) 12.449 13.557 ( 2.158 -12.211 1.098) 12.449 14.292 ( -1.432 2.494 1.836) 3.412 14.292 ( 1.432 2.494 1.836) 3.412 14.422 ( -2.005 2.121 -0.642) 2.988 14.422 ( 2.005 2.121 -0.642) 2.988 14.963 ( -2.884 2.202 1.514) 3.932 14.963 ( 2.884 2.202 1.514) 3.932 15.263 ( -4.365 -2.802 -4.394) 6.798 15.263 ( 4.365 -2.802 -4.394) 6.798 16.403 ( -1.527 0.993 4.218) 4.594 16.403 ( 1.527 0.993 4.218) 4.594 16.753 ( -4.852 -2.639 -2.504) 6.064 16.753 ( 4.852 -2.639 -2.504) 6.064 17.483 ( -1.628 3.982 -2.473) 4.962 17.483 ( 1.628 3.982 -2.473) 4.962 17.692 ( -3.553 -5.183 0.507) 6.305 17.692 ( 3.553 -5.183 0.507) 6.305 18.216 ( -2.305 7.116 0.773) 7.520 18.216 ( 2.305 7.116 0.773) 7.520 18.553 ( -3.693 -8.947 2.113) 9.907 18.553 ( 3.693 -8.947 2.113) 9.907 18.841 ( -2.649 2.134 -0.881) 3.514 18.841 ( 2.649 2.134 -0.881) 3.514 18.925 ( -2.210 -1.751 -0.958) 2.978 18.925 ( 2.210 -1.751 -0.958) 2.978 19.797 ( -3.921 11.012 0.349) 11.695 19.797 ( 3.921 11.012 0.349) 11.695 20.224 ( -5.056 -10.492 -1.369) 11.727 20.224 ( 5.056 -10.492 -1.369) 11.727 20.780 ( -1.694 1.429 -0.099) 2.218 20.780 ( 1.694 1.429 -0.099) 2.218 20.894 ( -1.151 -0.784 -1.140) 1.800 20.894 ( 1.151 -0.784 -1.140) 1.800 21.723 ( -1.855 2.655 2.692) 4.211 21.723 ( 1.855 2.655 2.692) 4.211 21.985 ( -2.836 -1.339 -1.650) 3.544 21.985 ( 2.836 -1.339 -1.650) 3.544 ======================= Grid point 110 (43/72) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( 0.000 -11.515 12.447) 16.956 1.596 ( 0.000 11.515 12.447) 16.956 1.737 ( 0.000 -13.844 10.942) 17.646 1.737 ( 0.000 13.844 10.942) 17.646 2.485 ( 0.000 -10.459 -8.566) 13.519 2.485 ( 0.000 10.459 -8.566) 13.519 2.592 ( 0.000 -13.689 -7.212) 15.473 2.592 ( 0.000 13.689 -7.212) 15.473 2.843 ( 0.000 -19.438 4.516) 19.956 2.843 ( 0.000 19.438 4.516) 19.956 3.118 ( 0.000 -1.397 7.000) 7.138 3.118 ( 0.000 1.397 7.000) 7.138 3.264 ( 0.000 -11.551 4.764) 12.495 3.264 ( 0.000 11.551 4.764) 12.495 3.485 ( 0.000 -3.583 -1.772) 3.997 3.485 ( 0.000 3.583 -1.772) 3.997 3.622 ( 0.000 -4.365 -3.313) 5.480 3.622 ( 0.000 4.365 -3.313) 5.480 3.889 ( 0.000 -9.647 1.753) 9.805 3.889 ( 0.000 9.647 1.753) 9.805 4.143 ( 0.000 -5.677 0.689) 5.719 4.143 ( 0.000 5.677 0.689) 5.719 4.435 ( 0.000 -7.414 -10.281) 12.676 4.435 ( 0.000 7.414 -10.281) 12.676 4.794 ( 0.000 -9.680 -4.665) 10.746 4.794 ( 0.000 9.680 -4.665) 10.746 5.254 ( 0.000 -4.226 -6.848) 8.047 5.254 ( 0.000 4.226 -6.848) 8.047 5.448 ( 0.000 -5.445 2.089) 5.832 5.448 ( 0.000 5.445 2.089) 5.832 5.551 ( 0.000 -5.607 4.806) 7.385 5.551 ( 0.000 5.607 4.806) 7.385 5.679 ( 0.000 -4.056 -1.294) 4.257 5.679 ( 0.000 4.056 -1.294) 4.257 5.951 ( 0.000 -2.687 -4.741) 5.449 5.951 ( 0.000 2.687 -4.741) 5.449 6.102 ( 0.000 -4.740 5.589) 7.328 6.102 ( 0.000 4.740 5.589) 7.328 6.375 ( 0.000 -4.007 3.851) 5.558 6.375 ( 0.000 4.007 3.851) 5.558 7.379 ( 0.000 -1.157 0.796) 1.404 7.379 ( 0.000 1.157 0.796) 1.404 7.731 ( 0.000 -2.654 0.655) 2.734 7.731 ( 0.000 2.654 0.655) 2.734 7.856 ( 0.000 -3.350 -1.488) 3.666 7.856 ( 0.000 3.350 -1.488) 3.666 8.123 ( 0.000 -3.893 1.139) 4.056 8.123 ( 0.000 3.893 1.139) 4.056 8.675 ( 0.000 -9.887 2.885) 10.300 8.675 ( 0.000 9.887 2.885) 10.300 9.009 ( 0.000 -3.648 -5.110) 6.279 9.009 ( 0.000 3.648 -5.110) 6.279 9.579 ( 0.000 -1.237 2.083) 2.423 9.579 ( 0.000 1.237 2.083) 2.423 9.682 ( 0.000 -2.066 -0.001) 2.066 9.682 ( 0.000 2.066 -0.001) 2.066 10.021 ( 0.000 -3.879 -1.428) 4.133 10.021 ( 0.000 3.879 -1.428) 4.133 10.156 ( 0.000 -1.842 -1.528) 2.393 10.156 ( 0.000 1.842 -1.528) 2.393 10.947 ( 0.000 -4.044 -0.834) 4.129 10.947 ( 0.000 4.044 -0.834) 4.129 11.099 ( 0.000 -8.031 -1.823) 8.235 11.099 ( 0.000 8.031 -1.823) 8.235 12.260 ( 0.000 -3.328 7.666) 8.357 12.260 ( 0.000 3.328 7.666) 8.357 12.568 ( 0.000 -1.180 1.472) 1.886 12.568 ( 0.000 1.180 1.472) 1.886 13.071 ( 0.000 -6.765 3.292) 7.523 13.071 ( 0.000 6.765 3.292) 7.523 13.823 ( 0.000 -4.692 -10.280) 11.300 13.823 ( 0.000 4.692 -10.280) 11.300 14.379 ( 0.000 -5.426 10.651) 11.954 14.379 ( 0.000 5.426 10.651) 11.954 14.844 ( 0.000 -1.995 -1.490) 2.490 14.844 ( 0.000 1.995 -1.490) 2.490 15.071 ( 0.000 -4.288 -1.984) 4.724 15.071 ( 0.000 4.288 -1.984) 4.724 15.810 ( 0.000 -2.906 -3.559) 4.595 15.810 ( 0.000 2.906 -3.559) 4.595 16.210 ( 0.000 -4.967 2.895) 5.749 16.210 ( 0.000 4.967 2.895) 5.749 16.474 ( 0.000 -5.084 -1.828) 5.402 16.474 ( 0.000 5.084 -1.828) 5.402 17.117 ( 0.000 -0.945 0.035) 0.946 17.117 ( 0.000 0.945 0.035) 0.946 17.460 ( 0.000 -1.123 0.115) 1.129 17.460 ( 0.000 1.123 0.115) 1.129 18.037 ( 0.000 -6.580 2.989) 7.227 18.037 ( 0.000 6.580 2.989) 7.227 18.559 ( 0.000 -5.874 -2.964) 6.579 18.559 ( 0.000 5.874 -2.964) 6.579 18.973 ( 0.000 -2.822 2.117) 3.528 18.973 ( 0.000 2.822 2.117) 3.528 19.120 ( 0.000 -0.791 -0.704) 1.059 19.120 ( 0.000 0.791 -0.704) 1.059 19.718 ( 0.000 -8.262 4.653) 9.482 19.718 ( 0.000 8.262 4.653) 9.482 20.194 ( 0.000 -6.001 -6.745) 9.028 20.194 ( 0.000 6.001 -6.745) 9.028 20.788 ( 0.000 -5.612 2.090) 5.989 20.788 ( 0.000 5.612 2.090) 5.989 21.115 ( 0.000 -1.890 -8.726) 8.928 21.115 ( 0.000 1.890 -8.726) 8.928 21.646 ( 0.000 -0.453 4.126) 4.151 21.646 ( 0.000 0.453 4.126) 4.151 22.245 ( 0.000 -3.415 0.848) 3.518 22.245 ( 0.000 3.415 0.848) 3.518 ======================= Grid point 112 (44/72) ======================= q-point: ( 0.10 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( 5.975 -12.200 12.617) 18.540 1.661 ( 5.975 12.200 12.617) 18.540 1.779 ( 4.459 -16.009 9.625) 19.205 1.779 ( 4.459 16.009 9.625) 19.205 2.480 ( -0.312 -8.607 -8.442) 12.061 2.480 ( -0.312 8.607 -8.442) 12.061 2.625 ( 3.657 -10.909 -8.090) 14.065 2.625 ( 3.657 10.909 -8.090) 14.065 2.892 ( 3.989 -12.301 2.749) 13.220 2.892 ( 3.989 12.301 2.749) 13.220 3.090 ( -2.412 -3.078 6.811) 7.854 3.090 ( -2.412 3.078 6.811) 7.854 3.313 ( 4.097 -10.275 4.670) 12.007 3.313 ( 4.097 10.275 4.670) 12.007 3.482 ( 0.074 -2.400 0.117) 2.404 3.482 ( 0.074 2.400 0.117) 2.404 3.610 ( -0.853 -5.194 -4.441) 6.887 3.610 ( -0.853 5.194 -4.441) 6.887 3.878 ( -1.727 -8.139 0.867) 8.365 3.878 ( -1.727 8.139 0.867) 8.365 4.095 ( -3.519 -5.729 1.060) 6.806 4.095 ( -3.519 5.729 1.060) 6.806 4.456 ( 1.573 -6.118 -7.183) 9.566 4.456 ( 1.573 6.118 -7.183) 9.566 4.800 ( 0.633 -10.005 -5.438) 11.405 4.800 ( 0.633 10.005 -5.438) 11.405 5.199 ( -5.068 -4.582 -5.354) 8.680 5.199 ( -5.068 4.582 -5.354) 8.680 5.486 ( 2.698 -3.429 1.355) 4.569 5.486 ( 2.698 3.429 1.355) 4.569 5.574 ( 2.228 -5.307 4.469) 7.286 5.574 ( 2.228 5.307 4.469) 7.286 5.695 ( 2.615 -5.664 0.082) 6.240 5.695 ( 2.615 5.664 0.082) 6.240 5.956 ( 0.246 -2.225 -4.780) 5.278 5.956 ( 0.246 2.225 -4.780) 5.278 6.124 ( 1.680 -4.939 4.564) 6.932 6.124 ( 1.680 4.939 4.564) 6.932 6.328 ( -4.477 -3.313 2.800) 6.233 6.328 ( -4.477 3.313 2.800) 6.233 7.369 ( -0.768 -2.949 1.378) 3.344 7.369 ( -0.768 2.949 1.378) 3.344 7.713 ( -1.504 -2.321 -0.345) 2.787 7.713 ( -1.504 2.321 -0.345) 2.787 7.873 ( 1.356 -3.408 -0.399) 3.689 7.873 ( 1.356 3.408 -0.399) 3.689 8.126 ( 0.133 -4.875 0.788) 4.940 8.126 ( 0.133 4.875 0.788) 4.940 8.648 ( -2.980 -9.495 2.758) 10.327 8.648 ( -2.980 9.495 2.758) 10.327 8.925 ( -7.126 -4.747 -3.456) 9.234 8.925 ( -7.126 4.747 -3.456) 9.234 9.553 ( -0.335 -2.957 2.557) 3.923 9.553 ( -0.335 2.957 2.557) 3.923 9.751 ( 3.820 -1.066 -2.107) 4.491 9.751 ( 3.820 1.066 -2.107) 4.491 10.071 ( 4.417 -3.734 -2.192) 6.185 10.071 ( 4.417 3.734 -2.192) 6.185 10.176 ( 2.450 -2.767 -0.515) 3.731 10.176 ( 2.450 2.767 -0.515) 3.731 11.010 ( 6.193 -2.030 -0.415) 6.530 11.010 ( 6.193 2.030 -0.415) 6.530 11.185 ( 8.123 -5.118 -2.652) 9.960 11.185 ( 8.123 5.118 -2.652) 9.960 12.258 ( -0.001 -2.792 7.863) 8.344 12.258 ( -0.001 2.792 7.863) 8.344 12.580 ( 1.155 -0.976 1.061) 1.848 12.580 ( 1.155 0.976 1.061) 1.848 13.108 ( 3.662 -7.028 3.286) 8.579 13.108 ( 3.662 7.028 3.286) 8.579 13.746 ( -7.698 -4.658 -8.700) 12.516 13.746 ( -7.698 4.658 -8.700) 12.516 14.351 ( -2.379 -4.166 8.528) 9.785 14.351 ( -2.379 4.166 8.528) 9.785 14.754 ( -7.053 -2.755 -2.718) 8.045 14.754 ( -7.053 2.755 -2.718) 8.045 15.095 ( 0.629 -3.117 0.999) 3.333 15.095 ( 0.629 3.117 0.999) 3.333 15.775 ( -3.922 -5.240 -4.281) 7.821 15.775 ( -3.922 5.240 -4.281) 7.821 16.209 ( 0.048 -4.911 2.450) 5.489 16.209 ( 0.048 4.911 2.450) 5.489 16.512 ( 3.942 -4.960 -1.303) 6.468 16.512 ( 3.942 4.960 -1.303) 6.468 17.163 ( 4.516 -1.818 0.509) 4.895 17.163 ( 4.516 1.818 0.509) 4.895 17.510 ( 4.533 -3.241 -1.079) 5.676 17.510 ( 4.533 3.241 -1.079) 5.676 18.062 ( 2.537 -6.686 2.501) 7.576 18.062 ( 2.537 6.686 2.501) 7.576 18.554 ( -0.906 -5.765 -2.343) 6.288 18.554 ( -0.906 5.765 -2.343) 6.288 18.926 ( -3.567 -3.621 2.062) 5.485 18.926 ( -3.567 3.621 2.062) 5.485 19.088 ( -3.220 -3.860 -0.716) 5.077 19.088 ( -3.220 3.860 -0.716) 5.077 19.757 ( 3.373 -7.373 4.188) 9.125 19.757 ( 3.373 7.373 4.188) 9.125 20.195 ( 0.229 -6.134 -5.829) 8.465 20.195 ( 0.229 6.134 -5.829) 8.465 20.789 ( 0.061 -5.725 1.913) 6.036 20.789 ( 0.061 5.725 1.913) 6.036 21.091 ( -2.464 -2.475 -7.716) 8.470 21.091 ( -2.464 2.475 -7.716) 8.470 21.637 ( -0.603 -0.674 3.989) 4.090 21.637 ( -0.603 0.674 3.989) 4.090 22.234 ( -1.305 -4.397 0.162) 4.590 22.234 ( -1.305 4.397 0.162) 4.590 ======================= Grid point 114 (45/72) ======================= q-point: ( 0.20 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( 6.871 -15.869 10.883) 20.433 1.785 ( 6.871 15.869 10.883) 20.433 1.916 ( 9.551 -15.973 7.346) 20.008 1.916 ( 9.551 15.973 7.346) 20.008 2.476 ( -0.326 -5.071 -7.792) 9.303 2.476 ( -0.326 5.071 -7.792) 9.303 2.714 ( 4.663 -6.599 -6.657) 10.469 2.714 ( 4.663 6.599 -6.657) 10.469 2.948 ( 0.876 -2.487 -0.628) 2.711 2.948 ( 0.876 2.487 -0.628) 2.711 3.057 ( 0.001 -5.329 4.105) 6.726 3.057 ( 0.001 5.329 4.105) 6.726 3.334 ( -3.434 -2.082 1.243) 4.204 3.334 ( -3.434 2.082 1.243) 4.204 3.520 ( 2.909 -3.095 3.434) 5.462 3.520 ( 2.909 3.095 3.434) 5.462 3.612 ( 1.755 -7.865 -4.243) 9.107 3.612 ( 1.755 7.865 -4.243) 9.107 3.810 ( -4.452 -3.316 -0.377) 5.564 3.810 ( -4.452 3.316 -0.377) 5.564 4.069 ( 1.490 -8.520 3.004) 9.156 4.069 ( 1.490 8.520 3.004) 9.156 4.480 ( 0.847 -4.527 -1.136) 4.743 4.480 ( 0.847 4.527 -1.136) 4.743 4.818 ( 1.187 -10.423 -7.137) 12.688 4.818 ( 1.187 10.423 -7.137) 12.688 5.094 ( -5.353 -5.474 -3.055) 8.244 5.094 ( -5.353 5.474 -3.055) 8.244 5.501 ( -1.166 -2.403 3.531) 4.427 5.501 ( -1.166 2.403 3.531) 4.427 5.624 ( 2.395 -7.068 2.516) 7.876 5.624 ( 2.395 7.068 2.516) 7.876 5.797 ( 7.207 -5.952 -0.387) 9.355 5.797 ( 7.207 5.952 -0.387) 9.355 5.953 ( -0.494 -1.831 -3.030) 3.575 5.953 ( -0.494 1.831 -3.030) 3.575 6.136 ( -0.866 -5.444 2.794) 6.180 6.136 ( -0.866 5.444 2.794) 6.180 6.238 ( -3.828 -3.574 0.153) 5.239 6.238 ( -3.828 3.574 0.153) 5.239 7.366 ( 0.831 -3.886 2.359) 4.622 7.366 ( 0.831 3.886 2.359) 4.622 7.685 ( -1.298 -2.320 -1.093) 2.874 7.685 ( -1.298 2.320 -1.093) 2.874 7.891 ( 0.109 -4.696 0.748) 4.757 7.891 ( 0.109 4.696 0.748) 4.757 8.116 ( -1.735 -5.853 -0.139) 6.106 8.116 ( -1.735 5.853 -0.139) 6.106 8.570 ( -4.520 -7.749 2.741) 9.380 8.570 ( -4.520 7.749 2.741) 9.380 8.798 ( -5.494 -5.430 -2.278) 8.054 8.798 ( -5.494 5.430 -2.278) 8.054 9.577 ( 2.357 -2.650 2.325) 4.241 9.577 ( 2.357 2.650 2.325) 4.241 9.793 ( 0.940 -2.255 -2.677) 3.624 9.793 ( 0.940 2.255 -2.677) 3.624 10.148 ( 3.179 -1.712 -1.333) 3.849 10.148 ( 3.179 1.712 -1.333) 3.849 10.259 ( 5.823 -2.141 -1.247) 6.328 10.259 ( 5.823 2.141 -1.247) 6.328 11.155 ( 8.137 -1.000 0.450) 8.210 11.155 ( 8.137 1.000 0.450) 8.210 11.359 ( 8.872 -2.873 -3.824) 10.080 11.359 ( 8.872 2.873 -3.824) 10.080 12.271 ( 1.698 -1.800 7.668) 8.057 12.271 ( 1.698 1.800 7.668) 8.057 12.608 ( 1.651 -0.699 0.281) 1.815 12.608 ( 1.651 0.699 0.281) 1.815 13.192 ( 4.521 -8.108 2.935) 9.736 13.192 ( 4.521 8.108 2.935) 9.736 13.567 ( -9.615 -4.279 -5.283) 11.776 13.567 ( -9.615 4.279 -5.283) 11.776 14.313 ( -1.324 -3.140 4.142) 5.363 14.313 ( -1.324 3.140 4.142) 5.363 14.625 ( -6.116 -2.752 -2.100) 7.028 14.625 ( -6.116 2.752 -2.100) 7.028 15.072 ( -2.680 -3.357 3.455) 5.513 15.072 ( -2.680 3.357 3.455) 5.513 15.655 ( -8.422 -7.231 -5.705) 12.480 15.655 ( -8.422 7.231 -5.705) 12.480 16.227 ( 2.271 -2.999 2.611) 4.579 16.227 ( 2.271 2.999 2.611) 4.579 16.609 ( 5.486 -5.653 -0.413) 7.888 16.609 ( 5.486 5.653 -0.413) 7.888 17.268 ( 5.975 -3.437 0.800) 6.939 17.268 ( 5.975 3.437 0.800) 6.939 17.601 ( 4.339 -4.747 -3.066) 7.125 17.601 ( 4.339 4.747 -3.066) 7.125 18.125 ( 3.856 -7.114 1.864) 8.304 18.125 ( 3.856 7.114 1.864) 8.304 18.510 ( -3.622 -5.431 -0.835) 6.581 18.510 ( -3.622 5.431 -0.835) 6.581 18.882 ( -0.904 -4.777 1.351) 5.046 18.882 ( -0.904 4.777 1.351) 5.046 19.019 ( -3.292 -4.619 -0.526) 5.696 19.019 ( -3.292 4.619 -0.526) 5.696 19.817 ( 2.504 -7.264 3.029) 8.258 19.817 ( 2.504 7.264 3.029) 8.258 20.201 ( 0.169 -7.374 -3.890) 8.339 20.201 ( 0.169 7.374 -3.890) 8.339 20.789 ( -0.148 -5.714 1.244) 5.849 20.789 ( -0.148 5.714 1.244) 5.849 21.027 ( -3.972 -3.492 -5.374) 7.540 21.027 ( -3.972 3.492 -5.374) 7.540 21.637 ( 0.783 -1.876 3.379) 3.943 21.637 ( 0.783 1.876 3.379) 3.943 22.189 ( -3.380 -4.703 -0.850) 5.854 22.189 ( -3.380 4.703 -0.850) 5.854 ======================= Grid point 116 (46/72) ======================= q-point: ( 0.30 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( 9.275 -9.538 6.791) 14.937 1.939 ( 9.275 9.538 6.791) 14.937 2.100 ( 8.575 -8.687 4.567) 13.032 2.100 ( 8.575 8.687 4.567) 13.032 2.471 ( 0.632 -2.671 -3.064) 4.114 2.471 ( 0.632 2.671 -3.064) 4.114 2.762 ( -0.633 -2.093 -4.738) 5.218 2.762 ( -0.633 2.093 -4.738) 5.218 2.943 ( 0.161 -1.462 -1.537) 2.127 2.943 ( 0.161 1.462 -1.537) 2.127 3.076 ( 0.092 -4.745 -1.315) 4.924 3.076 ( 0.092 4.745 -1.315) 4.924 3.220 ( -6.937 -3.079 0.329) 7.597 3.220 ( -6.937 3.079 0.329) 7.597 3.523 ( -1.910 -4.557 -2.286) 5.444 3.523 ( -1.910 4.557 -2.286) 5.444 3.634 ( -0.279 -5.536 1.183) 5.668 3.634 ( -0.279 5.536 1.183) 5.668 3.779 ( 0.770 -3.929 -0.373) 4.021 3.779 ( 0.770 3.929 -0.373) 4.021 4.155 ( 7.240 -10.534 4.709) 13.622 4.155 ( 7.240 10.534 4.709) 13.622 4.495 ( 0.959 -4.270 3.036) 5.326 4.495 ( 0.959 4.270 3.036) 5.326 4.838 ( 0.624 -11.037 -6.148) 12.649 4.838 ( 0.624 11.037 -6.148) 12.649 5.003 ( -4.162 -6.881 -1.842) 8.250 5.003 ( -4.162 6.881 -1.842) 8.250 5.471 ( -1.303 -2.437 3.052) 4.117 5.471 ( -1.303 2.437 3.052) 4.117 5.634 ( -1.863 -5.933 0.580) 6.245 5.634 ( -1.863 5.933 0.580) 6.245 5.900 ( 1.659 -2.137 -0.057) 2.706 5.900 ( 1.659 2.137 -0.057) 2.706 5.972 ( 4.015 -4.683 -1.193) 6.283 5.972 ( 4.015 4.683 -1.193) 6.283 6.115 ( -0.179 -4.479 0.584) 4.520 6.115 ( -0.179 4.479 0.584) 4.520 6.195 ( -1.263 -3.988 -0.679) 4.238 6.195 ( -1.263 3.988 -0.679) 4.238 7.407 ( 3.476 -4.104 2.817) 6.071 7.407 ( 3.476 4.104 2.817) 6.071 7.666 ( -0.826 -2.697 -0.932) 2.971 7.666 ( -0.826 2.697 -0.932) 2.971 7.869 ( -2.393 -6.215 1.306) 6.786 7.869 ( -2.393 6.215 1.306) 6.786 8.043 ( -5.792 -5.619 -0.945) 8.125 8.043 ( -5.792 5.619 -0.945) 8.125 8.512 ( -0.931 -7.272 2.393) 7.712 8.512 ( -0.931 7.272 2.393) 7.712 8.719 ( -2.951 -4.729 -2.048) 5.938 8.719 ( -2.951 4.729 -2.048) 5.938 9.627 ( 2.724 -2.006 1.696) 3.784 9.627 ( 2.724 2.006 1.696) 3.784 9.800 ( -0.197 -2.926 -1.894) 3.491 9.800 ( -0.197 2.926 -1.894) 3.491 10.196 ( 2.072 -1.972 0.338) 2.880 10.196 ( 2.072 1.972 0.338) 2.880 10.371 ( 5.444 -1.420 -2.674) 6.229 10.371 ( 5.444 1.420 -2.674) 6.229 11.292 ( 5.822 -1.742 1.125) 6.180 11.292 ( 5.822 1.742 1.125) 6.180 11.491 ( 4.733 -2.848 -3.737) 6.669 11.491 ( 4.733 2.848 -3.737) 6.669 12.325 ( 3.845 -1.355 6.218) 7.435 12.325 ( 3.845 1.355 6.218) 7.435 12.634 ( 0.763 -1.737 -0.273) 1.916 12.634 ( 0.763 1.737 -0.273) 1.916 13.250 ( 1.152 -8.958 0.567) 9.049 13.250 ( 1.152 8.958 0.567) 9.049 13.434 ( -3.642 -7.621 -0.799) 8.484 13.434 ( -3.642 7.621 -0.799) 8.484 14.300 ( -0.180 -2.263 1.522) 2.733 14.300 ( -0.180 2.263 1.522) 2.733 14.528 ( -3.940 -2.659 -1.217) 4.907 14.528 ( -3.940 2.659 -1.217) 4.907 15.013 ( -2.887 -3.869 3.824) 6.159 15.013 ( -2.887 3.869 3.824) 6.159 15.477 ( -9.624 -6.463 -5.817) 12.970 15.477 ( -9.624 6.463 -5.817) 12.970 16.294 ( 4.329 -2.230 3.324) 5.896 16.294 ( 4.329 2.230 3.324) 5.896 16.695 ( 3.147 -6.635 -0.730) 7.380 16.695 ( 3.147 6.635 -0.730) 7.380 17.382 ( 5.929 -3.361 0.659) 6.847 17.382 ( 5.929 3.361 0.659) 6.847 17.656 ( 1.135 -4.852 -4.035) 6.412 17.656 ( 1.135 4.852 -4.035) 6.412 18.207 ( 4.742 -7.067 1.986) 8.739 18.207 ( 4.742 7.067 1.986) 8.739 18.441 ( -2.911 -6.382 -0.023) 7.014 18.441 ( -2.911 6.382 -0.023) 7.014 18.869 ( -0.887 -4.343 1.195) 4.591 18.869 ( -0.887 4.343 1.195) 4.591 18.977 ( -1.295 -2.082 -0.942) 2.627 18.977 ( -1.295 2.082 -0.942) 2.627 19.857 ( 2.142 -8.359 1.768) 8.808 19.857 ( 2.142 8.359 1.768) 8.808 20.188 ( -1.975 -8.798 -2.177) 9.276 20.188 ( -1.975 8.798 -2.177) 9.276 20.784 ( -0.209 -4.733 0.169) 4.741 20.784 ( -0.209 4.733 0.169) 4.741 20.955 ( -3.279 -2.558 -2.981) 5.117 20.955 ( -3.279 2.558 -2.981) 5.117 21.668 ( 2.329 -2.303 2.811) 4.317 21.668 ( 2.329 2.303 2.811) 4.317 22.109 ( -4.805 -3.984 -1.362) 6.389 22.109 ( -4.805 3.984 -1.362) 6.389 ======================= Grid point 118 (47/72) ======================= q-point: ( 0.40 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.093 ( 4.567 -1.817 2.350) 5.448 2.093 ( 4.567 1.817 2.350) 5.448 2.232 ( 7.062 -5.076 3.181) 9.260 2.232 ( 7.062 5.076 3.181) 9.260 2.530 ( 4.867 -1.884 -0.078) 5.219 2.530 ( 4.867 1.884 -0.078) 5.219 2.700 ( -4.474 -2.482 -5.298) 7.365 2.700 ( -4.474 2.482 -5.298) 7.365 2.926 ( -3.191 -2.268 -1.828) 4.321 2.926 ( -3.191 2.268 -1.828) 4.321 3.024 ( -5.525 -2.361 -1.605) 6.219 3.024 ( -5.525 2.361 -1.605) 6.219 3.155 ( 2.207 -4.255 2.734) 5.519 3.155 ( 2.207 4.255 2.734) 5.519 3.471 ( -3.910 -3.063 -2.019) 5.362 3.471 ( -3.910 3.063 -2.019) 5.362 3.645 ( 1.990 -7.767 0.184) 8.020 3.645 ( 1.990 7.767 0.184) 8.020 3.775 ( -1.508 -4.104 -0.840) 4.452 3.775 ( -1.508 4.104 -0.840) 4.452 4.311 ( 8.158 -6.141 4.689) 11.236 4.311 ( 8.158 6.141 4.689) 11.236 4.511 ( 0.062 -3.587 3.657) 5.122 4.511 ( 0.062 3.587 3.657) 5.122 4.839 ( -0.227 -7.744 -2.685) 8.200 4.839 ( -0.227 7.744 -2.685) 8.200 4.933 ( -3.262 -5.281 -2.289) 6.616 4.933 ( -3.262 5.281 -2.289) 6.616 5.466 ( 0.978 -4.374 1.319) 4.672 5.466 ( 0.978 4.374 1.319) 4.672 5.570 ( -3.882 -5.171 -0.016) 6.466 5.570 ( -3.882 5.171 -0.016) 6.466 5.912 ( 0.437 -3.832 0.220) 3.863 5.912 ( 0.437 3.832 0.220) 3.863 6.037 ( 1.594 -6.177 -2.694) 6.925 6.037 ( 1.594 6.177 -2.694) 6.925 6.138 ( 2.133 -3.116 0.763) 3.852 6.138 ( 2.133 3.116 0.763) 3.852 6.182 ( -0.184 -3.533 0.250) 3.547 6.182 ( -0.184 3.533 0.250) 3.547 7.491 ( 4.976 -4.694 2.610) 7.322 7.491 ( 4.976 4.694 2.610) 7.322 7.646 ( -1.543 -3.808 0.296) 4.119 7.646 ( -1.543 3.808 0.296) 4.119 7.812 ( -2.946 -6.311 1.074) 7.047 7.812 ( -2.946 6.311 1.074) 7.047 7.923 ( -5.757 -3.871 -0.976) 7.006 7.923 ( -5.757 3.871 -0.976) 7.006 8.528 ( 2.006 -5.806 1.180) 6.256 8.528 ( 2.006 5.806 1.180) 6.256 8.674 ( -2.026 -3.760 -1.724) 4.606 8.674 ( -2.026 3.760 -1.724) 4.606 9.680 ( 2.831 -2.007 1.016) 3.616 9.680 ( 2.831 2.007 1.016) 3.616 9.782 ( -1.696 -3.077 -0.952) 3.640 9.782 ( -1.696 3.077 -0.952) 3.640 10.229 ( 1.283 -1.465 1.209) 2.292 10.229 ( 1.283 1.465 1.209) 2.292 10.454 ( 3.084 -0.615 -3.423) 4.648 10.454 ( 3.084 0.615 -3.423) 4.648 11.371 ( 2.530 -1.317 1.534) 3.239 11.371 ( 2.530 1.317 1.534) 3.239 11.545 ( 1.279 -1.894 -3.039) 3.802 11.545 ( 1.279 1.894 -3.039) 3.802 12.404 ( 3.884 -1.458 4.435) 6.073 12.404 ( 3.884 1.458 4.435) 6.073 12.627 ( -1.392 -2.895 -0.457) 3.245 12.627 ( -1.392 2.895 -0.457) 3.245 13.272 ( 2.179 -6.301 -0.758) 6.710 13.272 ( 2.179 6.301 -0.758) 6.710 13.395 ( -1.880 -6.610 1.282) 6.991 13.395 ( -1.880 6.610 1.282) 6.991 14.305 ( 0.701 -1.231 1.280) 1.909 14.305 ( 0.701 1.231 1.280) 1.909 14.470 ( -2.410 -1.666 -0.805) 3.038 14.470 ( -2.410 1.666 -0.805) 3.038 14.981 ( -0.247 -3.025 2.617) 4.008 14.981 ( -0.247 3.025 2.617) 4.008 15.311 ( -7.251 -4.416 -4.684) 9.696 15.311 ( -7.251 4.416 -4.684) 9.696 16.375 ( 3.679 -1.606 4.028) 5.687 16.375 ( 3.679 1.606 4.028) 5.687 16.725 ( 0.273 -4.830 -1.788) 5.158 16.725 ( 0.273 4.830 -1.788) 5.158 17.491 ( 5.423 -4.144 -0.161) 6.827 17.491 ( 5.423 4.144 -0.161) 6.827 17.644 ( -2.107 -5.931 -3.163) 7.044 17.644 ( -2.107 5.931 -3.163) 7.044 18.292 ( 3.587 -7.199 2.207) 8.340 18.292 ( 3.587 7.199 2.207) 8.340 18.412 ( -0.182 -8.318 0.307) 8.325 18.412 ( -0.182 8.318 0.307) 8.325 18.857 ( 0.215 -3.064 0.536) 3.118 18.857 ( 0.215 3.064 0.536) 3.118 18.946 ( -2.453 -1.199 -1.155) 2.965 18.946 ( -2.453 1.199 -1.155) 2.965 19.912 ( 3.696 -8.777 0.834) 9.560 19.912 ( 3.696 8.777 0.834) 9.560 20.122 ( -4.600 -9.522 -1.219) 10.645 20.122 ( -4.600 9.522 -1.219) 10.645 20.786 ( 0.379 -2.598 -0.092) 2.627 20.786 ( 0.379 2.598 -0.092) 2.627 20.906 ( -1.817 -0.924 -1.819) 2.732 20.906 ( -1.817 0.924 -1.819) 2.732 21.719 ( 2.735 -1.722 2.719) 4.224 21.719 ( 2.735 1.722 2.719) 4.224 22.018 ( -4.322 -2.699 -1.678) 5.365 22.018 ( -4.322 2.699 -1.678) 5.365 ======================= Grid point 120 (48/72) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( 0.000 -0.000 2.108) 2.108 2.120 ( 0.000 0.000 2.108) 2.108 2.336 ( 0.000 0.000 1.090) 1.090 2.336 ( 0.000 0.000 1.090) 1.090 2.590 ( 0.000 0.000 -0.602) 0.602 2.590 ( 0.000 0.000 -0.602) 0.602 2.638 ( 0.000 -0.000 -4.135) 4.135 2.638 ( -0.000 0.000 -4.135) 4.135 2.911 ( 0.000 -0.000 -0.242) 0.242 2.911 ( 0.000 0.000 -0.242) 0.242 2.920 ( -0.000 -0.000 -3.156) 3.156 2.920 ( -0.000 0.000 -3.156) 3.156 3.217 ( 0.000 0.000 4.540) 4.540 3.217 ( 0.000 0.000 4.540) 4.540 3.405 ( 0.000 0.000 0.277) 0.277 3.405 ( 0.000 0.000 0.277) 0.277 3.686 ( -0.000 0.000 -0.985) 0.985 3.686 ( 0.000 0.000 -0.985) 0.985 3.742 ( 0.000 -0.000 -2.352) 2.352 3.742 ( 0.000 0.000 -2.352) 2.352 4.423 ( 0.000 -0.000 3.045) 3.045 4.423 ( 0.000 0.000 3.045) 3.045 4.485 ( 0.000 -0.000 4.527) 4.527 4.485 ( -0.000 0.000 4.527) 4.527 4.840 ( 0.000 -0.000 -1.538) 1.538 4.840 ( 0.000 0.000 -1.538) 1.538 4.894 ( 0.000 -0.000 -2.100) 2.100 4.894 ( 0.000 0.000 -2.100) 2.100 5.498 ( 0.000 -0.000 0.527) 0.527 5.498 ( 0.000 0.000 0.527) 0.527 5.511 ( -0.000 -0.000 0.221) 0.221 5.511 ( -0.000 0.000 0.221) 0.221 5.917 ( 0.000 -0.000 -0.107) 0.107 5.917 ( 0.000 0.000 -0.107) 0.107 6.046 ( 0.000 -0.000 -3.743) 3.743 6.046 ( 0.000 0.000 -3.743) 3.743 6.172 ( 0.000 -0.000 0.940) 0.940 6.172 ( 0.000 0.000 0.940) 0.940 6.174 ( -0.000 -0.000 1.211) 1.211 6.174 ( -0.000 0.000 1.211) 1.211 7.565 ( 0.000 -0.000 1.675) 1.675 7.565 ( 0.000 -0.000 1.675) 1.675 7.611 ( 0.000 0.000 2.084) 2.084 7.611 ( 0.000 0.000 2.084) 2.084 7.780 ( 0.000 -0.000 1.116) 1.116 7.780 ( 0.000 0.000 1.116) 1.116 7.861 ( 0.000 -0.000 -1.507) 1.507 7.861 ( 0.000 0.000 -1.507) 1.507 8.557 ( 0.000 0.000 0.603) 0.603 8.557 ( 0.000 0.000 0.603) 0.603 8.649 ( 0.000 -0.000 -1.571) 1.571 8.649 ( 0.000 0.000 -1.571) 1.571 9.727 ( 0.000 -0.000 0.501) 0.501 9.727 ( 0.000 0.000 0.501) 0.501 9.745 ( -0.000 -0.000 -0.274) 0.274 9.745 ( 0.000 0.000 -0.274) 0.274 10.242 ( 0.000 0.000 1.453) 1.453 10.242 ( 0.000 0.000 1.453) 1.453 10.484 ( 0.000 0.000 -3.709) 3.709 10.484 ( 0.000 0.000 -3.709) 3.709 11.394 ( 0.000 -0.000 1.707) 1.707 11.394 ( 0.000 0.000 1.707) 1.707 11.554 ( 0.000 -0.000 -2.753) 2.753 11.554 ( 0.000 0.000 -2.753) 2.753 12.448 ( 0.000 0.000 3.769) 3.769 12.448 ( 0.000 0.000 3.769) 3.769 12.605 ( 0.000 -0.000 -0.525) 0.525 12.605 ( 0.000 0.000 -0.525) 0.525 13.318 ( 0.000 -0.000 0.692) 0.692 13.318 ( 0.000 0.000 0.692) 0.692 13.355 ( 0.000 -0.000 -0.146) 0.146 13.355 ( 0.000 0.000 -0.146) 0.146 14.316 ( 0.000 0.000 1.703) 1.703 14.316 ( 0.000 0.000 1.703) 1.703 14.442 ( -0.000 0.000 -0.654) 0.654 14.442 ( 0.000 0.000 -0.654) 0.654 14.988 ( 0.000 0.000 1.532) 1.532 14.988 ( 0.000 0.000 1.532) 1.532 15.233 ( 0.000 0.000 -3.837) 3.837 15.233 ( 0.000 0.000 -3.837) 3.837 16.414 ( 0.000 0.000 4.496) 4.496 16.414 ( 0.000 0.000 4.496) 4.496 16.724 ( 0.000 0.000 -2.482) 2.482 16.724 ( 0.000 0.000 -2.482) 2.482 17.577 ( 0.000 -0.000 -1.496) 1.496 17.577 ( 0.000 0.000 -1.496) 1.496 17.590 ( -0.000 -0.000 -1.668) 1.668 17.590 ( 0.000 0.000 -1.668) 1.668 18.327 ( 0.000 -0.000 2.577) 2.577 18.327 ( 0.000 0.000 2.577) 2.577 18.416 ( -0.000 -0.000 0.282) 0.282 18.416 ( 0.000 0.000 0.282) 0.282 18.885 ( 0.000 -0.000 -0.641) 0.641 18.885 ( 0.000 0.000 -0.641) 0.641 18.893 ( -0.000 -0.000 -0.578) 0.578 18.893 ( 0.000 0.000 -0.578) 0.578 19.974 ( -0.000 0.000 0.552) 0.552 19.974 ( 0.000 0.000 0.552) 0.552 20.050 ( 0.000 -0.000 -0.990) 0.990 20.050 ( 0.000 -0.000 -0.990) 0.990 20.792 ( 0.000 -0.000 0.306) 0.306 20.792 ( 0.000 0.000 0.306) 0.306 20.888 ( 0.000 0.000 -1.853) 1.853 20.888 ( 0.000 0.000 -1.853) 1.853 21.751 ( 0.000 0.000 2.996) 2.996 21.751 ( 0.000 0.000 2.996) 2.996 21.970 ( 0.000 0.000 -2.048) 2.048 21.970 ( 0.000 0.000 -2.048) 2.048 ======================= Grid point 154 (49/72) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 0.000 0.000 25.665) 25.665 1.222 ( 0.000 0.000 28.380) 28.380 1.585 ( 0.000 0.000 -22.583) 22.583 1.741 ( 0.000 0.000 -19.332) 19.332 2.212 ( 0.000 0.000 42.601) 42.601 2.655 ( 0.000 0.000 11.871) 11.871 2.655 ( 0.000 0.000 2.308) 2.308 2.768 ( 0.000 0.000 1.263) 1.263 2.869 ( 0.000 0.000 -4.047) 4.047 3.078 ( 0.000 0.000 -0.650) 0.650 3.079 ( 0.000 0.000 -7.214) 7.214 3.143 ( 0.000 0.000 -33.212) 33.212 3.177 ( 0.000 0.000 3.519) 3.519 3.277 ( 0.000 0.000 -5.063) 5.063 3.454 ( 0.000 0.000 5.674) 5.674 3.537 ( 0.000 0.000 -2.742) 2.742 3.579 ( 0.000 0.000 5.835) 5.835 3.648 ( 0.000 0.000 -1.131) 1.131 3.888 ( 0.000 0.000 2.438) 2.438 3.946 ( 0.000 0.000 -5.479) 5.479 4.072 ( 0.000 0.000 1.699) 1.699 4.163 ( 0.000 0.000 -6.026) 6.026 4.619 ( 0.000 0.000 7.019) 7.019 4.663 ( 0.000 0.000 1.671) 1.671 4.711 ( 0.000 0.000 0.353) 0.353 4.819 ( 0.000 0.000 -9.793) 9.793 4.976 ( 0.000 0.000 0.305) 0.305 5.008 ( 0.000 0.000 -3.444) 3.444 5.220 ( 0.000 0.000 5.559) 5.559 5.324 ( 0.000 0.000 -3.655) 3.655 5.473 ( 0.000 0.000 2.970) 2.970 5.547 ( 0.000 0.000 -3.138) 3.138 5.659 ( 0.000 0.000 5.488) 5.488 5.747 ( 0.000 0.000 -1.778) 1.778 5.894 ( 0.000 0.000 2.084) 2.084 5.921 ( 0.000 0.000 -0.604) 0.604 6.049 ( 0.000 0.000 -1.037) 1.037 6.054 ( 0.000 0.000 -0.882) 0.882 6.613 ( 0.000 0.000 4.688) 4.688 6.670 ( 0.000 0.000 -1.205) 1.205 7.299 ( 0.000 0.000 1.354) 1.354 7.333 ( 0.000 0.000 -1.995) 1.995 7.750 ( 0.000 0.000 0.492) 0.492 7.770 ( 0.000 0.000 -1.454) 1.454 7.898 ( 0.000 0.000 2.386) 2.386 7.956 ( 0.000 0.000 -2.730) 2.730 8.234 ( 0.000 0.000 4.229) 4.229 8.277 ( 0.000 0.000 0.082) 0.082 8.662 ( 0.000 0.000 -1.672) 1.672 8.663 ( 0.000 0.000 -1.641) 1.641 9.139 ( 0.000 0.000 1.577) 1.577 9.162 ( 0.000 0.000 -0.492) 0.492 9.549 ( 0.000 0.000 3.911) 3.911 9.593 ( 0.000 0.000 -0.189) 0.189 9.677 ( 0.000 0.000 1.865) 1.865 9.723 ( 0.000 0.000 -2.478) 2.478 9.973 ( 0.000 0.000 -0.270) 0.270 9.983 ( 0.000 0.000 -0.463) 0.463 10.089 ( 0.000 0.000 0.037) 0.037 10.143 ( 0.000 0.000 -4.206) 4.206 10.584 ( 0.000 0.000 3.304) 3.304 10.647 ( 0.000 0.000 -2.799) 2.799 11.274 ( 0.000 0.000 4.743) 4.743 11.383 ( 0.000 0.000 -5.681) 5.681 12.489 ( 0.000 0.000 5.513) 5.513 12.516 ( 0.000 0.000 2.089) 2.089 12.564 ( 0.000 0.000 -2.017) 2.017 12.564 ( 0.000 0.000 -1.352) 1.352 13.285 ( 0.000 0.000 -0.577) 0.577 13.305 ( 0.000 0.000 -2.428) 2.428 13.601 ( 0.000 0.000 1.315) 1.315 13.641 ( 0.000 0.000 -2.786) 2.786 14.345 ( 0.000 0.000 0.996) 0.996 14.368 ( 0.000 0.000 -1.297) 1.297 14.810 ( 0.000 0.000 2.668) 2.668 14.845 ( 0.000 0.000 -1.348) 1.348 14.906 ( 0.000 0.000 8.354) 8.354 15.057 ( 0.000 0.000 -5.510) 5.510 15.752 ( 0.000 0.000 3.510) 3.510 15.823 ( 0.000 0.000 -3.483) 3.483 16.199 ( 0.000 0.000 -1.702) 1.702 16.205 ( 0.000 0.000 -2.524) 2.524 16.818 ( 0.000 0.000 0.755) 0.755 16.831 ( 0.000 0.000 -0.820) 0.820 16.967 ( 0.000 0.000 4.789) 4.789 17.037 ( 0.000 0.000 -1.825) 1.825 17.702 ( 0.000 0.000 1.224) 1.224 17.732 ( 0.000 0.000 -1.674) 1.674 17.893 ( 0.000 0.000 6.967) 6.967 18.048 ( 0.000 0.000 -7.865) 7.865 18.454 ( 0.000 0.000 0.872) 0.872 18.456 ( 0.000 0.000 0.726) 0.726 18.813 ( 0.000 0.000 0.379) 0.379 18.844 ( 0.000 0.000 -2.736) 2.736 19.062 ( 0.000 0.000 1.533) 1.533 19.086 ( 0.000 0.000 -0.721) 0.721 19.435 ( 0.000 0.000 0.549) 0.549 19.446 ( 0.000 0.000 -0.510) 0.510 20.131 ( 0.000 0.000 4.107) 4.107 20.207 ( 0.000 0.000 -3.135) 3.135 20.595 ( 0.000 0.000 11.447) 11.447 20.798 ( 0.000 0.000 -6.644) 6.644 20.985 ( 0.000 0.000 -1.662) 1.662 20.994 ( 0.000 0.000 -3.860) 3.860 21.755 ( 0.000 0.000 1.876) 1.876 21.790 ( 0.000 0.000 -1.570) 1.570 22.413 ( 0.000 0.000 0.447) 0.447 22.422 ( 0.000 0.000 -0.406) 0.406 ======================= Grid point 155 (50/72) ======================= q-point: ( 0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( 12.278 0.000 21.677) 24.913 1.348 ( 11.739 0.000 21.725) 24.694 1.698 ( 10.518 0.000 -19.447) 22.109 1.835 ( 8.710 0.000 -18.723) 20.650 2.361 ( 15.257 0.000 38.328) 41.253 2.665 ( 1.196 0.000 13.885) 13.936 2.707 ( 4.910 0.000 3.700) 6.148 2.776 ( 1.239 0.000 -0.776) 1.462 2.877 ( 0.603 0.000 -5.187) 5.222 3.028 ( -5.111 0.000 -0.010) 5.111 3.063 ( -1.895 0.000 -4.376) 4.769 3.144 ( -0.393 0.000 -5.951) 5.964 3.238 ( 5.585 0.000 -21.041) 21.769 3.259 ( -1.777 0.000 -4.557) 4.891 3.450 ( 0.377 0.000 4.489) 4.504 3.505 ( -3.546 0.000 -0.464) 3.576 3.559 ( -1.245 0.000 2.937) 3.190 3.611 ( -2.771 0.000 -1.272) 3.049 3.858 ( -3.094 0.000 1.500) 3.439 3.920 ( -3.456 0.000 -5.847) 6.792 4.015 ( -4.801 0.000 1.901) 5.163 4.113 ( -4.649 0.000 -6.884) 8.307 4.620 ( -0.659 0.000 8.546) 8.571 4.674 ( 0.592 0.000 1.393) 1.514 4.703 ( -0.289 0.000 -1.312) 1.343 4.823 ( -0.495 0.000 -9.585) 9.598 4.936 ( -1.860 0.000 2.695) 3.274 5.006 ( -0.301 0.000 -3.589) 3.602 5.214 ( -0.082 0.000 5.456) 5.457 5.318 ( -0.367 0.000 -3.756) 3.773 5.526 ( 3.208 0.000 2.357) 3.981 5.578 ( 1.596 0.000 -2.356) 2.846 5.704 ( 4.677 0.000 3.916) 6.100 5.771 ( 2.943 0.000 -1.623) 3.361 5.931 ( 3.728 0.000 2.038) 4.249 5.960 ( 3.892 0.000 -1.128) 4.052 6.070 ( 1.998 0.000 -0.817) 2.159 6.076 ( 1.961 0.000 -1.146) 2.272 6.562 ( -5.183 0.000 5.347) 7.446 6.636 ( -3.980 0.000 -2.302) 4.598 7.293 ( -0.127 0.000 1.908) 1.912 7.341 ( 0.492 0.000 -2.750) 2.793 7.741 ( -0.996 0.000 -0.178) 1.011 7.745 ( -2.612 0.000 -0.128) 2.615 7.873 ( -1.786 0.000 2.895) 3.402 7.919 ( -2.227 0.000 -0.935) 2.416 8.253 ( 1.188 0.000 5.140) 5.275 8.318 ( 3.480 0.000 -1.110) 3.652 8.576 ( -7.201 0.000 -1.275) 7.313 8.592 ( -6.311 0.000 -2.492) 6.785 9.137 ( -1.306 0.000 2.251) 2.603 9.174 ( -0.718 0.000 -1.195) 1.395 9.537 ( -0.898 0.000 2.305) 2.474 9.564 ( -1.116 0.000 0.702) 1.319 9.669 ( -3.162 0.000 -1.193) 3.379 9.673 ( -1.823 0.000 -1.130) 2.145 10.040 ( 5.221 0.000 0.448) 5.241 10.068 ( 7.314 0.000 -1.688) 7.506 10.091 ( 1.735 0.000 3.486) 3.894 10.200 ( 5.143 0.000 -6.359) 8.179 10.681 ( 9.056 0.000 2.577) 9.416 10.730 ( 7.872 0.000 -2.188) 8.170 11.325 ( 4.858 0.000 3.608) 6.051 11.418 ( 3.439 0.000 -5.201) 6.235 12.472 ( -0.863 0.000 4.510) 4.591 12.530 ( -0.428 0.000 -0.340) 0.547 12.552 ( 1.374 0.000 2.241) 2.629 12.608 ( 2.647 0.000 -2.219) 3.454 13.123 ( -10.788 0.000 10.364) 14.960 13.313 ( -4.132 0.000 -9.169) 10.056 13.617 ( 2.132 0.000 1.895) 2.852 13.677 ( 3.889 0.000 -4.061) 5.623 14.307 ( -4.862 0.000 1.144) 4.995 14.319 ( -2.996 0.000 -0.183) 3.002 14.654 ( -7.928 0.000 5.786) 9.815 14.733 ( -7.226 0.000 -2.279) 7.577 15.070 ( 5.422 0.000 0.592) 5.454 15.089 ( 2.731 0.000 -0.989) 2.905 15.674 ( -8.454 0.000 6.793) 10.845 15.824 ( -2.115 0.000 -7.558) 7.848 16.134 ( -3.513 0.000 0.318) 3.527 16.170 ( -0.414 0.000 -2.695) 2.727 16.833 ( 1.091 0.000 5.097) 5.213 16.929 ( 4.411 0.000 -2.941) 5.302 16.989 ( 3.100 0.000 1.317) 3.368 17.047 ( 2.561 0.000 -2.850) 3.832 17.686 ( -1.501 0.000 2.244) 2.700 17.730 ( 0.010 0.000 -1.635) 1.636 17.906 ( 1.953 0.000 7.920) 8.158 18.073 ( 3.688 0.000 -8.279) 9.064 18.486 ( 2.758 0.000 1.819) 3.304 18.516 ( 4.686 0.000 -0.785) 4.751 18.810 ( -0.319 0.000 0.600) 0.680 18.843 ( -0.069 0.000 -2.452) 2.453 19.142 ( 4.616 0.000 2.280) 5.149 19.221 ( 11.328 0.000 -6.711) 13.167 19.440 ( 0.673 0.000 0.215) 0.706 19.445 ( -0.076 0.000 -0.231) 0.243 20.117 ( 0.369 0.000 4.055) 4.072 20.200 ( -0.087 0.000 -3.847) 3.848 20.619 ( 2.004 0.000 10.387) 10.579 20.810 ( 0.702 0.000 -6.834) 6.870 20.946 ( -2.753 0.000 0.832) 2.876 21.008 ( 0.418 0.000 -4.870) 4.888 21.750 ( -0.630 0.000 1.805) 1.911 21.783 ( -0.757 0.000 -1.427) 1.616 22.301 ( -8.383 0.000 5.713) 10.145 22.394 ( -4.544 0.000 -4.181) 6.175 ======================= Grid point 156 (51/72) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( 17.219 0.000 14.983) 22.825 1.613 ( 15.324 0.000 13.691) 20.549 1.927 ( 12.399 0.000 -14.048) 18.737 2.014 ( 8.949 0.000 -14.021) 16.633 2.600 ( 1.201 0.000 13.155) 13.210 2.769 ( 10.353 0.000 11.934) 15.799 2.793 ( -1.752 0.000 -4.388) 4.725 2.870 ( 11.622 0.000 12.425) 17.013 2.880 ( -1.889 0.000 -2.485) 3.122 2.912 ( -0.223 0.000 3.915) 3.921 3.004 ( -4.409 0.000 -5.330) 6.917 3.117 ( -2.603 0.000 0.694) 2.694 3.217 ( -2.363 0.000 -2.744) 3.621 3.285 ( -1.894 0.000 -5.542) 5.856 3.415 ( -4.418 0.000 3.235) 5.476 3.469 ( -1.334 0.000 0.742) 1.526 3.545 ( -0.434 0.000 -0.342) 0.552 3.631 ( 5.586 0.000 -8.662) 10.307 3.789 ( -1.730 0.000 -0.181) 1.740 3.843 ( -2.644 0.000 -6.276) 6.810 3.931 ( -3.418 0.000 1.584) 3.767 4.031 ( -1.916 0.000 -9.177) 9.375 4.564 ( -4.816 0.000 6.330) 7.954 4.638 ( -5.317 0.000 0.037) 5.318 4.717 ( 1.065 0.000 1.869) 2.151 4.812 ( 0.307 0.000 -5.577) 5.585 4.931 ( 1.287 0.000 3.263) 3.508 5.016 ( 1.383 0.000 -5.043) 5.229 5.228 ( 1.467 0.000 5.188) 5.392 5.325 ( 1.191 0.000 -3.307) 3.515 5.544 ( -1.186 0.000 2.792) 3.033 5.583 ( -0.496 0.000 -1.992) 2.053 5.797 ( 3.746 0.000 2.766) 4.656 5.843 ( 3.511 0.000 -1.364) 3.766 6.030 ( 5.789 0.000 2.408) 6.270 6.064 ( 6.545 0.000 -1.105) 6.638 6.114 ( 1.822 0.000 -1.506) 2.364 6.120 ( 3.750 0.000 -1.407) 4.005 6.428 ( -8.298 0.000 4.873) 9.623 6.509 ( -9.220 0.000 -3.011) 9.699 7.304 ( 1.350 0.000 2.120) 2.514 7.354 ( 1.040 0.000 -2.699) 2.892 7.686 ( -2.924 0.000 2.065) 3.580 7.711 ( -1.899 0.000 -0.730) 2.034 7.861 ( 0.419 0.000 3.182) 3.210 7.897 ( -0.447 0.000 -0.327) 0.554 8.263 ( -0.694 0.000 5.379) 5.424 8.349 ( -2.099 0.000 -2.479) 3.248 8.430 ( -6.917 0.000 0.544) 6.938 8.488 ( -3.021 0.000 -3.958) 4.979 9.083 ( -3.679 0.000 1.334) 3.914 9.110 ( -5.042 0.000 -0.954) 5.131 9.524 ( -0.512 0.000 1.516) 1.600 9.554 ( -0.679 0.000 -0.304) 0.744 9.624 ( -1.120 0.000 -1.433) 1.819 9.628 ( -2.713 0.000 -1.199) 2.966 10.153 ( 5.819 0.000 1.450) 5.997 10.155 ( 5.485 0.000 3.072) 6.287 10.221 ( 7.743 0.000 -0.630) 7.768 10.310 ( 5.806 0.000 -6.747) 8.901 10.884 ( 11.242 0.000 1.466) 11.337 10.908 ( 9.922 0.000 -0.842) 9.958 11.436 ( 6.184 0.000 1.731) 6.421 11.499 ( 4.719 0.000 -4.206) 6.322 12.465 ( 0.089 0.000 4.086) 4.087 12.519 ( -0.354 0.000 -0.841) 0.912 12.590 ( 2.469 0.000 3.537) 4.313 12.647 ( 0.749 0.000 -1.669) 1.830 12.942 ( -6.852 0.000 12.664) 14.399 13.173 ( -9.293 0.000 -9.730) 13.455 13.686 ( 4.984 0.000 3.553) 6.121 13.779 ( 6.126 0.000 -5.411) 8.174 14.219 ( -3.516 0.000 2.227) 4.162 14.256 ( -3.386 0.000 -1.413) 3.669 14.536 ( -5.166 0.000 4.227) 6.675 14.609 ( -5.513 0.000 -2.948) 6.252 15.063 ( -2.943 0.000 4.848) 5.672 15.147 ( 0.485 0.000 -3.367) 3.402 15.467 ( -11.445 0.000 8.538) 14.279 15.679 ( -11.437 0.000 -12.042) 16.608 16.164 ( 5.463 0.000 2.645) 6.069 16.226 ( 5.502 0.000 -3.308) 6.420 16.801 ( -3.416 0.000 8.602) 9.256 16.954 ( -1.225 0.000 -6.314) 6.432 17.086 ( 6.896 0.000 1.623) 7.085 17.151 ( 6.560 0.000 -4.928) 8.205 17.673 ( 0.726 0.000 4.113) 4.177 17.740 ( 1.413 0.000 -1.873) 2.346 17.970 ( 4.215 0.000 10.290) 11.120 18.163 ( 4.181 0.000 -8.140) 9.151 18.539 ( 2.643 0.000 1.815) 3.206 18.599 ( 3.620 0.000 -3.678) 5.161 18.803 ( -0.047 0.000 2.085) 2.085 18.848 ( 0.839 0.000 -2.047) 2.212 19.174 ( -2.377 0.000 6.019) 6.471 19.334 ( -0.014 0.000 -8.699) 8.699 19.441 ( 0.005 0.000 0.346) 0.346 19.463 ( 0.938 0.000 -3.755) 3.871 20.192 ( 6.758 0.000 2.420) 7.179 20.245 ( 5.342 0.000 -2.838) 6.049 20.653 ( 1.456 0.000 6.753) 6.908 20.794 ( -2.874 0.000 -6.321) 6.944 20.904 ( -1.097 0.000 4.474) 4.606 21.008 ( -0.326 0.000 -6.081) 6.089 21.726 ( -1.899 0.000 2.508) 3.146 21.765 ( -1.078 0.000 -1.349) 1.727 22.146 ( -7.071 0.000 7.524) 10.326 22.279 ( -6.811 0.000 -5.915) 9.021 ======================= Grid point 157 (52/72) ======================= q-point: ( 0.30 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( 14.850 0.000 10.519) 18.198 1.919 ( 16.307 0.000 7.915) 18.126 2.126 ( 5.765 0.000 -8.553) 10.314 2.169 ( 8.653 0.000 -8.474) 12.112 2.554 ( -4.614 0.000 4.723) 6.603 2.638 ( -9.706 0.000 -2.515) 10.026 2.796 ( -1.884 0.000 3.486) 3.962 2.882 ( -3.758 0.000 -3.506) 5.139 2.907 ( 1.179 0.000 0.314) 1.220 2.952 ( 1.662 0.000 -1.474) 2.222 3.042 ( -2.365 0.000 1.981) 3.085 3.049 ( -4.025 0.000 -0.456) 4.051 3.182 ( -2.779 0.000 1.043) 2.968 3.236 ( -2.170 0.000 -1.737) 2.780 3.330 ( -5.685 0.000 3.130) 6.490 3.406 ( -6.214 0.000 -3.710) 7.237 3.611 ( 7.422 0.000 5.979) 9.531 3.671 ( 0.368 0.000 -0.120) 0.387 3.808 ( 1.857 0.000 1.095) 2.156 3.872 ( 1.247 0.000 -2.734) 3.005 3.935 ( 9.521 0.000 5.298) 10.896 4.156 ( 14.371 0.000 -12.892) 19.306 4.474 ( -3.413 0.000 1.481) 3.721 4.509 ( -6.130 0.000 -1.067) 6.222 4.719 ( -1.035 0.000 4.760) 4.871 4.812 ( -0.833 0.000 -2.716) 2.840 4.991 ( 4.808 0.000 1.436) 5.018 5.058 ( 3.154 0.000 -4.732) 5.687 5.260 ( 1.469 0.000 5.403) 5.600 5.353 ( 1.129 0.000 -2.798) 3.017 5.506 ( -2.174 0.000 3.721) 4.310 5.565 ( -1.439 0.000 -2.736) 3.091 5.821 ( -1.685 0.000 3.820) 4.175 5.884 ( 0.341 0.000 -1.561) 1.598 6.103 ( 2.325 0.000 0.929) 2.503 6.132 ( 0.510 0.000 -1.045) 1.162 6.157 ( -0.345 0.000 1.457) 1.497 6.214 ( 1.827 0.000 -3.079) 3.581 6.312 ( -0.483 0.000 0.415) 0.636 6.331 ( -5.106 0.000 -0.874) 5.180 7.342 ( 2.369 0.000 1.978) 3.086 7.380 ( 1.505 0.000 -1.660) 2.241 7.649 ( -0.771 0.000 2.786) 2.891 7.683 ( -0.794 0.000 -0.672) 1.040 7.864 ( -0.776 0.000 2.522) 2.639 7.886 ( -0.732 0.000 0.228) 0.767 8.203 ( -5.413 0.000 0.797) 5.471 8.229 ( -7.926 0.000 -1.864) 8.142 8.367 ( -0.476 0.000 4.718) 4.742 8.468 ( -0.499 0.000 -4.657) 4.684 9.014 ( -3.569 0.000 0.131) 3.571 9.020 ( -3.732 0.000 -0.252) 3.741 9.515 ( -0.785 0.000 0.925) 1.213 9.532 ( -0.969 0.000 -0.565) 1.121 9.580 ( -1.934 0.000 0.737) 2.069 9.620 ( 0.132 0.000 -3.074) 3.077 10.246 ( 4.539 0.000 3.589) 5.786 10.272 ( 5.321 0.000 1.064) 5.427 10.352 ( 5.798 0.000 -1.469) 5.981 10.407 ( 4.196 0.000 -5.518) 6.932 11.076 ( 8.230 0.000 1.065) 8.299 11.082 ( 7.872 0.000 0.519) 7.889 11.543 ( 4.799 0.000 0.344) 4.812 11.583 ( 3.767 0.000 -3.356) 5.045 12.475 ( 0.982 0.000 3.193) 3.341 12.515 ( -0.190 0.000 -0.423) 0.464 12.624 ( -1.791 0.000 5.574) 5.855 12.656 ( 3.630 0.000 1.289) 3.852 12.886 ( 0.486 0.000 2.887) 2.928 13.000 ( -8.061 0.000 -6.690) 10.476 13.795 ( 6.006 0.000 4.745) 7.655 13.884 ( 4.458 0.000 -3.553) 5.701 14.183 ( -0.253 0.000 0.724) 0.767 14.202 ( -2.013 0.000 -0.796) 2.165 14.444 ( -4.697 0.000 3.743) 6.006 14.516 ( -4.633 0.000 -3.077) 5.562 14.988 ( -4.094 0.000 6.831) 7.964 15.103 ( -4.757 0.000 -3.741) 6.052 15.292 ( -6.282 0.000 5.114) 8.100 15.460 ( -10.680 0.000 -11.171) 15.455 16.285 ( 6.500 0.000 2.839) 7.094 16.347 ( 6.459 0.000 -2.946) 7.099 16.736 ( -2.976 0.000 9.044) 9.521 16.909 ( -3.339 0.000 -7.903) 8.580 17.216 ( 6.371 0.000 0.556) 6.396 17.271 ( 5.823 0.000 -4.599) 7.420 17.720 ( 4.028 0.000 4.790) 6.258 17.789 ( 3.610 0.000 -1.662) 3.975 18.040 ( 2.574 0.000 9.803) 10.135 18.192 ( -1.396 0.000 -4.917) 5.111 18.585 ( 2.254 0.000 1.054) 2.488 18.649 ( 1.856 0.000 -4.684) 5.039 18.823 ( 1.932 0.000 3.216) 3.751 18.876 ( 1.873 0.000 -2.084) 2.802 19.070 ( -6.894 0.000 7.196) 9.965 19.254 ( -7.436 0.000 -10.170) 12.599 19.457 ( 1.546 0.000 0.637) 1.672 19.478 ( 1.071 0.000 -2.119) 2.375 20.305 ( 4.075 0.000 3.370) 5.288 20.374 ( 6.399 0.000 -3.573) 7.329 20.681 ( 1.797 0.000 1.721) 2.488 20.725 ( -3.255 0.000 -2.205) 3.931 20.896 ( -0.157 0.000 4.045) 4.048 20.994 ( -1.213 0.000 -5.681) 5.810 21.689 ( -1.501 0.000 3.796) 4.082 21.742 ( -1.305 0.000 -1.492) 1.982 22.041 ( -4.031 0.000 5.599) 6.899 22.155 ( -5.889 0.000 -5.550) 8.093 ======================= Grid point 158 (53/72) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( 3.762 0.000 6.458) 7.473 2.101 ( -3.863 0.000 1.056) 4.005 2.215 ( 10.899 0.000 3.613) 11.482 2.329 ( 7.549 0.000 -7.762) 10.827 2.481 ( -0.035 0.000 -0.695) 0.696 2.546 ( 0.536 0.000 -5.709) 5.734 2.773 ( -3.549 0.000 5.353) 6.423 2.848 ( -4.235 0.000 2.490) 4.913 2.867 ( 2.803 0.000 2.767) 3.938 2.910 ( -6.913 0.000 -5.357) 8.745 2.978 ( -1.206 0.000 3.454) 3.658 3.032 ( 1.746 0.000 -2.564) 3.102 3.106 ( -4.265 0.000 0.993) 4.379 3.171 ( -4.785 0.000 -1.064) 4.902 3.230 ( -3.938 0.000 -2.223) 4.522 3.306 ( -3.920 0.000 -5.512) 6.764 3.615 ( -1.533 0.000 3.903) 4.193 3.681 ( -1.113 0.000 0.486) 1.214 3.806 ( -0.806 0.000 -1.338) 1.562 3.884 ( -1.308 0.000 -5.527) 5.680 4.282 ( 17.439 0.000 7.763) 19.089 4.365 ( 4.114 0.000 0.700) 4.173 4.449 ( 4.360 0.000 1.883) 4.749 4.528 ( 5.667 0.000 -5.458) 7.868 4.696 ( 0.106 0.000 6.517) 6.517 4.801 ( 1.045 0.000 -2.392) 2.610 5.092 ( 5.161 0.000 -0.256) 5.167 5.129 ( 3.626 0.000 -3.088) 4.763 5.268 ( -0.867 0.000 5.249) 5.320 5.332 ( -4.055 0.000 0.492) 4.085 5.488 ( 0.903 0.000 1.184) 1.489 5.541 ( -0.286 0.000 -3.731) 3.742 5.720 ( -7.828 0.000 4.240) 8.902 5.815 ( -8.099 0.000 -3.613) 8.868 6.097 ( -1.000 0.000 1.962) 2.202 6.129 ( -3.046 0.000 -1.238) 3.288 6.144 ( 1.209 0.000 -1.117) 1.646 6.157 ( 0.614 0.000 -2.579) 2.651 6.372 ( 3.763 0.000 0.509) 3.797 6.379 ( 3.399 0.000 -0.194) 3.404 7.381 ( 1.489 0.000 1.647) 2.220 7.400 ( 0.414 0.000 -0.087) 0.423 7.656 ( 1.353 0.000 2.654) 2.979 7.683 ( 0.484 0.000 0.332) 0.587 7.837 ( -1.171 0.000 1.701) 2.065 7.868 ( -1.387 0.000 -0.746) 1.575 8.087 ( -5.124 0.000 0.138) 5.126 8.107 ( -4.913 0.000 -1.565) 5.157 8.380 ( 1.437 0.000 3.682) 3.952 8.449 ( -1.499 0.000 -2.918) 3.280 8.959 ( -1.933 0.000 0.364) 1.967 8.967 ( -2.084 0.000 -0.488) 2.140 9.494 ( -0.742 0.000 1.224) 1.432 9.518 ( -1.213 0.000 -0.463) 1.298 9.568 ( 0.885 0.000 0.494) 1.014 9.617 ( -0.616 0.000 -3.658) 3.709 10.321 ( 3.132 0.000 3.255) 4.517 10.346 ( 2.339 0.000 1.376) 2.714 10.438 ( 3.205 0.000 -2.508) 4.070 10.465 ( 1.799 0.000 -4.370) 4.726 11.190 ( 3.960 0.000 1.586) 4.266 11.196 ( 3.852 0.000 1.124) 4.013 11.613 ( 2.514 0.000 -0.668) 2.601 11.634 ( 1.498 0.000 -2.618) 3.016 12.499 ( 1.074 0.000 2.401) 2.631 12.515 ( 0.460 0.000 1.347) 1.424 12.593 ( -0.579 0.000 5.350) 5.382 12.697 ( -1.380 0.000 -3.585) 3.841 12.909 ( -0.154 0.000 -0.468) 0.493 12.922 ( 2.019 0.000 -1.533) 2.535 13.897 ( 4.316 0.000 3.775) 5.734 13.942 ( 1.688 0.000 -0.251) 1.707 14.186 ( 0.564 0.000 1.338) 1.452 14.206 ( 2.389 0.000 -0.987) 2.585 14.352 ( -4.722 0.000 3.420) 5.831 14.421 ( -5.460 0.000 -2.937) 6.200 14.937 ( -0.894 0.000 5.150) 5.227 15.008 ( -4.233 0.000 -0.689) 4.289 15.215 ( -2.332 0.000 -0.759) 2.453 15.291 ( -6.814 0.000 -8.554) 10.936 16.395 ( 4.813 0.000 3.504) 5.953 16.447 ( 3.412 0.000 -0.748) 3.493 16.703 ( 0.060 0.000 5.116) 5.117 16.832 ( -4.561 0.000 -6.784) 8.175 17.322 ( 4.589 0.000 -0.427) 4.609 17.360 ( 3.197 0.000 -3.908) 5.050 17.811 ( 4.971 0.000 4.126) 6.460 17.861 ( 3.239 0.000 -0.691) 3.312 18.059 ( -0.190 0.000 5.873) 5.877 18.132 ( -3.967 0.000 -1.683) 4.309 18.631 ( 2.574 0.000 1.493) 2.976 18.678 ( 0.991 0.000 -2.296) 2.501 18.847 ( 0.079 0.000 3.594) 3.595 18.900 ( -0.031 0.000 -1.631) 1.631 18.980 ( -1.268 0.000 2.846) 3.115 19.100 ( -7.608 0.000 -7.615) 10.764 19.488 ( 1.488 0.000 0.581) 1.597 19.499 ( 0.944 0.000 -0.525) 1.080 20.353 ( 1.687 0.000 1.888) 2.532 20.431 ( -0.649 0.000 -5.438) 5.476 20.703 ( 1.404 0.000 1.635) 2.155 20.725 ( 1.975 0.000 -0.495) 2.036 20.895 ( 0.266 0.000 2.807) 2.820 20.961 ( -2.239 0.000 -3.647) 4.280 21.678 ( 0.255 0.000 3.318) 3.328 21.717 ( -1.310 0.000 -0.507) 1.404 21.991 ( -1.217 0.000 2.671) 2.935 22.058 ( -4.289 0.000 -3.700) 5.664 ======================= Grid point 159 (54/72) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.033 ( -1.084 0.000 3.283) 3.457 2.033 ( 1.084 0.000 3.283) 3.457 2.362 ( -4.232 0.000 -3.401) 5.430 2.362 ( 4.232 0.000 -3.401) 5.430 2.594 ( -10.155 0.000 1.736) 10.302 2.594 ( 10.155 0.000 1.736) 10.302 2.686 ( -10.742 0.000 -4.389) 11.604 2.686 ( 10.742 0.000 -4.389) 11.604 2.907 ( -2.187 0.000 5.706) 6.111 2.907 ( 2.187 0.000 5.706) 6.111 3.004 ( -5.155 0.000 3.278) 6.109 3.004 ( 5.155 0.000 3.278) 6.109 3.087 ( -2.740 0.000 -2.357) 3.614 3.087 ( 2.740 0.000 -2.357) 3.614 3.226 ( -3.555 0.000 -6.408) 7.328 3.226 ( 3.555 0.000 -6.408) 7.328 3.632 ( -2.930 0.000 4.528) 5.393 3.632 ( 2.930 0.000 4.528) 5.393 3.830 ( -3.138 0.000 -7.311) 7.956 3.830 ( 3.138 0.000 -7.311) 7.956 4.406 ( -0.376 0.000 3.122) 3.145 4.406 ( 0.376 0.000 3.122) 3.145 4.555 ( -1.988 0.000 -0.463) 2.041 4.555 ( 1.988 0.000 -0.463) 2.041 4.797 ( -6.036 0.000 5.355) 8.069 4.797 ( 6.036 0.000 5.355) 8.069 5.160 ( -1.290 0.000 -2.380) 2.707 5.160 ( 1.290 0.000 -2.380) 2.707 5.252 ( -1.215 0.000 4.265) 4.435 5.252 ( 1.215 0.000 4.265) 4.435 5.536 ( -3.004 0.000 -2.028) 3.625 5.536 ( 3.004 0.000 -2.028) 3.625 5.654 ( -5.109 0.000 -2.237) 5.577 5.654 ( 5.109 0.000 -2.237) 5.577 6.101 ( -0.731 0.000 1.071) 1.297 6.101 ( 0.731 0.000 1.071) 1.297 6.162 ( -0.319 0.000 -2.043) 2.068 6.162 ( 0.319 0.000 -2.043) 2.068 6.410 ( -0.182 0.000 0.237) 0.298 6.410 ( 0.182 0.000 0.237) 0.298 7.398 ( -0.480 0.000 1.063) 1.166 7.398 ( 0.480 0.000 1.063) 1.166 7.683 ( -0.848 0.000 2.421) 2.565 7.683 ( 0.848 0.000 2.421) 2.565 7.838 ( -1.237 0.000 -0.893) 1.526 7.838 ( 1.237 0.000 -0.893) 1.526 8.046 ( -0.941 0.000 -0.438) 1.038 8.046 ( 0.941 0.000 -0.438) 1.038 8.414 ( -2.003 0.000 0.410) 2.045 8.414 ( 2.003 0.000 0.410) 2.045 8.943 ( -0.301 0.000 -0.069) 0.309 8.943 ( 0.301 0.000 -0.069) 0.309 9.495 ( -0.807 0.000 1.133) 1.391 9.495 ( 0.807 0.000 1.133) 1.391 9.595 ( -1.533 0.000 -2.423) 2.868 9.595 ( 1.533 0.000 -2.423) 2.868 10.360 ( -0.812 0.000 2.423) 2.556 10.360 ( 0.812 0.000 2.423) 2.556 10.475 ( -0.742 0.000 -3.548) 3.625 10.475 ( 0.742 0.000 -3.548) 3.625 11.229 ( -0.204 0.000 1.587) 1.600 11.229 ( 0.204 0.000 1.587) 1.600 11.642 ( -0.584 0.000 -1.688) 1.786 11.642 ( 0.584 0.000 -1.688) 1.786 12.514 ( -0.729 0.000 3.705) 3.776 12.514 ( 0.729 0.000 3.705) 3.776 12.629 ( -3.925 0.000 -1.935) 4.376 12.629 ( 3.925 0.000 -1.935) 4.376 12.936 ( -0.997 0.000 -0.419) 1.082 12.936 ( 0.997 0.000 -0.419) 1.082 13.949 ( -1.062 0.000 1.895) 2.172 13.949 ( 1.062 0.000 1.895) 2.172 14.223 ( -2.364 0.000 2.232) 3.251 14.223 ( 2.364 0.000 2.232) 3.251 14.323 ( -3.594 0.000 -1.411) 3.861 14.323 ( 3.594 0.000 -1.411) 3.861 14.950 ( -1.964 0.000 2.366) 3.076 14.950 ( 1.964 0.000 2.366) 3.076 15.207 ( -1.869 0.000 -5.221) 5.545 15.207 ( 1.869 0.000 -5.221) 5.545 16.461 ( -1.793 0.000 3.144) 3.620 16.461 ( 1.793 0.000 3.144) 3.620 16.746 ( -4.022 0.000 -2.539) 4.757 16.746 ( 4.022 0.000 -2.539) 4.757 17.381 ( -1.193 0.000 -2.152) 2.461 17.381 ( 1.193 0.000 -2.152) 2.461 17.881 ( -1.628 0.000 1.759) 2.397 17.881 ( 1.628 0.000 1.759) 2.397 18.069 ( -2.060 0.000 1.811) 2.743 18.069 ( 2.060 0.000 1.811) 2.743 18.673 ( -1.514 0.000 0.467) 1.584 18.673 ( 1.514 0.000 0.467) 1.584 18.868 ( -2.591 0.000 0.857) 2.730 18.868 ( 2.591 0.000 0.857) 2.730 19.000 ( -2.772 0.000 -2.607) 3.805 19.000 ( 2.772 0.000 -2.607) 3.805 19.506 ( -0.293 0.000 0.242) 0.380 19.506 ( 0.293 0.000 0.242) 0.380 20.391 ( -2.459 0.000 -2.505) 3.510 20.391 ( 2.459 0.000 -2.505) 3.510 20.736 ( -1.030 0.000 1.167) 1.557 20.736 ( 1.030 0.000 1.167) 1.557 20.917 ( -2.063 0.000 -0.529) 2.130 20.917 ( 2.063 0.000 -0.529) 2.130 21.693 ( -1.149 0.000 1.457) 1.855 21.693 ( 1.149 0.000 1.457) 1.855 21.997 ( -1.887 0.000 -0.725) 2.022 21.997 ( 1.887 0.000 -0.725) 2.022 ======================= Grid point 165 (55/72) ======================= q-point: ( 0.00 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( 0.000 13.886 21.799) 25.846 1.344 ( 0.000 12.641 24.919) 27.942 1.678 ( 0.000 9.403 -20.383) 22.447 1.832 ( 0.000 9.318 -19.660) 21.756 2.335 ( 0.000 10.638 35.020) 36.600 2.570 ( 0.000 -9.419 9.771) 13.572 2.587 ( 0.000 -5.183 14.494) 15.393 2.679 ( 0.000 -6.534 -2.968) 7.177 2.841 ( 0.000 -5.347 -10.871) 12.115 3.044 ( 0.000 -0.333 4.078) 4.091 3.092 ( 0.000 -1.187 -4.472) 4.627 3.175 ( 0.000 1.098 0.771) 1.342 3.264 ( 0.000 1.697 -8.183) 8.357 3.283 ( 0.000 10.688 -23.711) 26.009 3.484 ( 0.000 1.349 3.993) 4.215 3.530 ( 0.000 -1.599 1.629) 2.283 3.568 ( 0.000 -0.220 1.092) 1.114 3.646 ( 0.000 -0.448 -3.814) 3.840 3.864 ( 0.000 -3.707 0.614) 3.757 3.927 ( 0.000 0.581 -4.883) 4.917 4.028 ( 0.000 -3.224 5.517) 6.390 4.140 ( 0.000 -3.116 -4.338) 5.341 4.480 ( 0.000 -9.391 3.767) 10.118 4.599 ( 0.000 -9.241 -5.882) 10.954 4.763 ( 0.000 1.992 6.054) 6.373 4.853 ( 0.000 5.220 -5.864) 7.851 4.964 ( 0.000 -0.037 1.195) 1.196 5.080 ( 0.000 3.704 -7.543) 8.404 5.287 ( 0.000 6.831 7.616) 10.231 5.423 ( 0.000 8.395 -5.653) 10.121 5.503 ( 0.000 3.044 2.162) 3.734 5.538 ( 0.000 -0.401 -1.333) 1.392 5.625 ( 0.000 -2.022 5.199) 5.578 5.742 ( 0.000 -1.444 -5.650) 5.831 5.872 ( 0.000 -2.266 3.603) 4.257 5.932 ( 0.000 0.390 -2.235) 2.269 6.063 ( 0.000 2.744 2.378) 3.631 6.101 ( 0.000 4.253 -1.074) 4.386 6.570 ( 0.000 -4.529 4.416) 6.325 6.620 ( 0.000 -5.007 -0.673) 5.052 7.323 ( 0.000 2.404 1.407) 2.786 7.356 ( 0.000 1.980 -1.650) 2.577 7.747 ( 0.000 -0.499 0.746) 0.898 7.762 ( 0.000 -0.611 -0.970) 1.146 7.874 ( 0.000 -2.482 1.413) 2.856 7.906 ( 0.000 -3.784 -1.137) 3.951 8.209 ( 0.000 -2.577 3.719) 4.524 8.256 ( 0.000 -2.216 -0.890) 2.388 8.618 ( 0.000 -0.955 4.130) 4.239 8.726 ( 0.000 3.515 -6.120) 7.057 9.071 ( 0.000 -6.659 2.127) 6.990 9.110 ( 0.000 -5.123 -1.673) 5.389 9.552 ( 0.000 0.856 2.919) 3.042 9.602 ( 0.000 0.795 -1.451) 1.655 9.673 ( 0.000 -0.271 2.659) 2.673 9.726 ( 0.000 -0.083 -2.075) 2.076 9.954 ( 0.000 -0.118 2.311) 2.314 10.018 ( 0.000 1.291 -3.280) 3.525 10.093 ( 0.000 0.491 0.624) 0.794 10.143 ( 0.000 -0.024 -3.633) 3.633 10.663 ( 0.000 7.539 1.806) 7.752 10.709 ( 0.000 6.090 -2.368) 6.535 11.232 ( 0.000 -4.347 4.129) 5.995 11.326 ( 0.000 -5.640 -4.891) 7.465 12.439 ( 0.000 -3.852 5.684) 6.866 12.497 ( 0.000 -3.498 0.639) 3.556 12.554 ( 0.000 0.673 0.451) 0.810 12.582 ( 0.000 1.331 -1.755) 2.203 13.234 ( 0.000 -5.919 5.593) 8.143 13.266 ( 0.000 -2.066 -0.076) 2.067 13.564 ( 0.000 0.212 1.304) 1.321 13.680 ( 0.000 0.741 -8.204) 8.237 14.383 ( 0.000 4.206 4.556) 6.201 14.484 ( 0.000 9.156 -5.508) 10.685 14.793 ( 0.000 -2.148 4.650) 5.122 14.846 ( 0.000 -0.100 -1.559) 1.563 14.922 ( 0.000 2.120 6.009) 6.372 15.054 ( 0.000 -0.160 -5.465) 5.468 15.747 ( 0.000 -0.358 2.491) 2.516 15.808 ( 0.000 -1.542 -3.374) 3.710 16.169 ( 0.000 -0.904 1.388) 1.656 16.232 ( 0.000 1.353 -4.509) 4.707 16.717 ( 0.000 -10.216 2.479) 10.512 16.742 ( 0.000 -7.892 -0.059) 7.892 17.007 ( 0.000 3.716 3.052) 4.809 17.057 ( 0.000 1.862 -1.620) 2.468 17.588 ( 0.000 -7.339 1.278) 7.449 17.610 ( 0.000 -7.492 -1.178) 7.584 17.989 ( 0.000 4.312 6.357) 7.682 18.107 ( 0.000 3.649 -5.400) 6.517 18.434 ( 0.000 0.090 3.386) 3.387 18.509 ( 0.000 2.645 -3.774) 4.609 18.889 ( 0.000 4.460 1.303) 4.647 18.950 ( 0.000 9.449 -4.721) 10.563 19.065 ( 0.000 0.235 1.222) 1.244 19.083 ( 0.000 -0.144 -0.563) 0.582 19.492 ( 0.000 5.456 1.199) 5.586 19.538 ( 0.000 10.878 -3.916) 11.562 20.116 ( 0.000 -2.322 4.763) 5.299 20.200 ( 0.000 -0.827 -3.255) 3.359 20.641 ( 0.000 4.665 9.182) 10.299 20.816 ( 0.000 1.915 -5.838) 6.144 20.972 ( 0.000 -1.141 -1.623) 1.984 20.996 ( 0.000 -0.020 -4.169) 4.169 21.741 ( 0.000 -1.386 1.854) 2.315 21.772 ( 0.000 -1.889 -1.033) 2.153 22.354 ( 0.000 -5.001 2.444) 5.567 22.389 ( 0.000 -3.565 -1.144) 3.744 ======================= Grid point 166 (56/72) ======================= q-point: ( 0.10 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( 9.278 10.992 20.083) 24.703 1.453 ( 9.992 10.625 19.455) 24.315 1.773 ( 8.785 7.654 -17.647) 21.146 1.914 ( 7.607 8.124 -18.109) 21.256 2.442 ( 9.224 3.203 24.870) 26.718 2.593 ( 2.268 -7.342 14.113) 16.069 2.633 ( 5.118 -5.552 9.656) 12.258 2.711 ( 4.050 -3.123 2.883) 5.871 2.848 ( 0.706 -4.939 -10.788) 11.886 3.012 ( -3.194 -0.135 2.999) 4.383 3.076 ( -2.456 0.034 -2.594) 3.573 3.156 ( -1.249 1.385 0.085) 1.867 3.254 ( -1.129 0.117 -4.184) 4.335 3.320 ( 2.737 8.005 -19.940) 21.660 3.462 ( -2.051 -0.375 4.664) 5.109 3.509 ( -2.113 1.105 -0.497) 2.436 3.571 ( 1.441 1.150 -1.060) 2.127 3.623 ( -1.714 0.883 -4.135) 4.563 3.828 ( -3.522 -2.497 1.164) 4.472 3.906 ( -3.053 0.061 -6.270) 6.974 3.999 ( -2.630 -1.581 4.407) 5.370 4.101 ( -3.250 -1.992 -4.815) 6.141 4.502 ( 1.848 -8.817 3.918) 9.823 4.612 ( 1.866 -8.964 -5.141) 10.501 4.723 ( -3.350 0.950 5.243) 6.295 4.829 ( -3.543 4.353 -5.877) 8.126 4.960 ( 0.201 1.715 3.042) 3.498 5.081 ( -0.077 3.413 -6.736) 7.551 5.283 ( 0.641 6.991 6.381) 9.486 5.384 ( -1.630 6.304 -2.786) 7.082 5.540 ( 1.209 1.030 2.236) 2.743 5.588 ( 3.049 2.264 -2.805) 4.722 5.685 ( 5.742 -1.336 3.398) 6.805 5.769 ( 3.088 -1.030 -3.967) 5.131 5.906 ( 3.511 -2.560 2.820) 5.180 5.958 ( 2.682 -0.420 -2.076) 3.418 6.079 ( 1.370 1.988 1.842) 3.037 6.116 ( 1.388 3.521 -1.323) 4.009 6.518 ( -5.284 -4.508 4.592) 8.327 6.578 ( -4.455 -5.815 -1.445) 7.467 7.314 ( -0.425 2.115 2.235) 3.106 7.364 ( 0.568 2.038 -2.435) 3.226 7.729 ( -2.185 -1.321 0.837) 2.687 7.743 ( -1.684 -0.345 -0.954) 1.966 7.860 ( -0.699 -1.138 2.717) 3.028 7.901 ( -0.129 -1.234 -1.100) 1.658 8.215 ( 0.609 -3.513 4.687) 5.888 8.290 ( 2.492 -3.247 -2.541) 4.818 8.550 ( -5.928 0.219 3.844) 7.069 8.650 ( -6.531 3.762 -5.536) 9.352 9.055 ( -2.372 -7.590 2.931) 8.474 9.106 ( -1.697 -6.605 -2.019) 7.112 9.538 ( -0.336 0.914 3.421) 3.557 9.598 ( -0.055 2.579 -1.687) 3.082 9.661 ( -1.730 0.059 0.450) 1.788 9.697 ( -1.626 1.277 -2.121) 2.962 10.019 ( 5.635 -1.183 1.956) 6.081 10.067 ( 4.042 0.245 -1.502) 4.319 10.128 ( 4.040 1.851 0.700) 4.498 10.194 ( 4.749 -0.505 -4.704) 6.704 10.749 ( 8.263 6.743 1.534) 10.775 10.786 ( 7.380 5.619 -1.838) 9.457 11.291 ( 5.544 -3.612 3.014) 7.271 11.370 ( 4.238 -4.855 -4.497) 7.858 12.436 ( -0.116 -3.146 5.219) 6.095 12.490 ( -0.597 -3.485 0.515) 3.573 12.567 ( 1.404 1.017 1.453) 2.262 12.609 ( 2.098 0.136 -2.056) 2.940 13.134 ( -7.138 0.977 10.847) 13.022 13.296 ( -0.910 -1.941 -5.375) 5.787 13.564 ( 0.803 -2.665 1.848) 3.341 13.670 ( -0.067 -1.781 -7.574) 7.781 14.348 ( -3.522 4.091 3.647) 6.515 14.417 ( -6.170 8.423 -3.064) 10.881 14.642 ( -7.356 -1.381 6.043) 9.619 14.732 ( -7.539 -0.255 -2.945) 8.098 15.068 ( 5.117 0.328 1.897) 5.468 15.104 ( 3.611 1.164 -1.654) 4.139 15.674 ( -7.919 0.076 5.012) 9.373 15.799 ( -2.937 -2.591 -6.961) 7.987 16.134 ( -1.113 0.765 1.919) 2.347 16.194 ( -1.305 2.011 -3.680) 4.392 16.738 ( 1.391 -8.798 4.134) 9.820 16.798 ( 3.907 -9.625 -1.543) 10.502 17.062 ( 4.054 4.044 0.589) 5.756 17.090 ( 4.301 3.700 -1.541) 5.879 17.604 ( 1.618 -6.133 2.091) 6.679 17.646 ( 3.031 -6.416 -2.061) 7.389 17.969 ( -0.754 4.536 7.191) 8.535 18.114 ( 1.290 2.709 -6.871) 7.498 18.479 ( 3.602 -0.740 3.250) 4.907 18.545 ( 3.123 1.963 -3.137) 4.842 18.853 ( -2.902 2.878 0.868) 4.178 18.878 ( -3.069 4.380 -1.467) 5.546 19.113 ( 2.219 -2.504 2.309) 4.066 19.173 ( 4.567 -3.418 -3.708) 6.804 19.517 ( 2.278 7.305 1.766) 7.853 19.583 ( 4.117 12.349 -5.568) 14.158 20.112 ( 0.838 -1.218 4.153) 4.408 20.198 ( 0.344 -0.517 -3.882) 3.931 20.655 ( 1.172 3.804 8.689) 9.558 20.826 ( 0.571 1.745 -6.338) 6.598 20.941 ( -2.494 -0.616 0.738) 2.672 21.004 ( 0.245 -0.503 -4.985) 5.016 21.736 ( -0.605 -1.404 1.792) 2.355 21.764 ( -0.821 -1.978 -0.738) 2.265 22.273 ( -6.624 -2.534 5.289) 8.847 22.359 ( -3.826 -3.421 -3.647) 6.297 ======================= Grid point 167 (57/72) ======================= q-point: ( 0.20 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( 15.359 6.109 14.493) 21.983 1.681 ( 13.417 7.368 12.329) 19.655 1.964 ( 10.308 3.967 -11.855) 16.203 2.074 ( 8.268 6.209 -13.549) 17.044 2.539 ( 0.649 -6.783 11.839) 13.659 2.657 ( 1.388 -10.746 3.614) 11.422 2.726 ( 5.365 -6.896 -0.500) 8.751 2.848 ( 0.120 -4.698 -3.470) 5.842 2.898 ( 3.537 1.701 7.048) 8.067 2.946 ( 2.397 2.789 3.623) 5.163 3.005 ( -2.747 2.814 1.355) 4.159 3.129 ( -2.035 1.044 -0.335) 2.312 3.236 ( -0.210 2.172 -1.746) 2.795 3.308 ( -3.867 1.686 -3.444) 5.446 3.403 ( -3.387 -1.044 5.568) 6.601 3.490 ( 0.073 2.324 -0.819) 2.465 3.585 ( -0.690 3.014 -0.597) 3.149 3.668 ( 4.522 2.576 -5.634) 7.670 3.759 ( -1.984 -0.822 -1.298) 2.509 3.828 ( -2.627 -0.250 -7.332) 7.792 3.946 ( -2.343 0.479 3.102) 3.917 4.060 ( 0.739 2.611 -8.795) 9.204 4.526 ( -0.150 -4.472 5.770) 7.302 4.633 ( -3.132 -3.275 -0.120) 4.533 4.690 ( 1.783 -3.018 -1.393) 3.772 4.748 ( -2.200 0.164 -3.019) 3.739 4.954 ( -1.116 2.354 4.254) 4.988 5.074 ( -0.549 2.597 -6.253) 6.793 5.325 ( 3.231 8.367 3.759) 9.725 5.379 ( 0.907 5.995 -0.819) 6.118 5.541 ( -0.912 0.417 2.938) 3.105 5.602 ( -0.979 2.101 -3.223) 3.970 5.791 ( 3.945 -0.509 2.477) 4.686 5.841 ( 3.284 -0.754 -1.811) 3.826 6.000 ( 5.780 -3.072 1.832) 6.797 6.035 ( 5.065 -2.490 -1.742) 5.907 6.106 ( 1.612 0.426 1.434) 2.200 6.150 ( 2.519 1.755 -1.971) 3.648 6.383 ( -8.142 -4.486 4.028) 10.131 6.452 ( -8.476 -5.693 -2.503) 10.512 7.320 ( 1.181 1.794 2.910) 3.616 7.380 ( 1.282 2.368 -2.750) 3.849 7.677 ( -2.545 -0.942 2.041) 3.396 7.707 ( -1.779 -0.502 -1.090) 2.145 7.861 ( 0.433 0.167 3.154) 3.188 7.903 ( -0.026 0.652 -0.901) 1.113 8.216 ( -1.178 -4.599 4.407) 6.477 8.301 ( -2.608 -4.971 -3.796) 6.777 8.439 ( -4.693 2.309 3.895) 6.521 8.533 ( -4.551 3.612 -4.768) 7.516 8.986 ( -4.086 -8.631 2.676) 9.917 9.036 ( -4.952 -7.385 -1.996) 9.113 9.544 ( 0.405 1.956 2.523) 3.218 9.589 ( -0.895 3.322 -0.898) 3.556 9.639 ( -0.672 1.718 -0.483) 1.907 9.674 ( -0.736 3.389 -2.730) 4.414 10.134 ( 5.968 -1.198 2.349) 6.524 10.162 ( 5.847 -0.147 1.118) 5.955 10.230 ( 6.038 0.568 -0.769) 6.113 10.296 ( 5.396 -1.455 -5.441) 7.800 10.939 ( 10.639 5.629 0.876) 12.068 10.955 ( 9.462 4.880 -0.543) 10.661 11.414 ( 6.707 -2.364 1.302) 7.230 11.468 ( 5.524 -3.275 -3.761) 7.442 12.440 ( 0.623 -2.166 4.425) 4.966 12.483 ( -0.049 -2.986 0.856) 3.107 12.603 ( 2.372 0.752 1.932) 3.150 12.638 ( 0.539 -0.837 -0.961) 1.384 13.003 ( -5.511 6.055 10.794) 13.548 13.203 ( -7.883 3.026 -8.269) 11.818 13.615 ( 4.264 -6.478 3.154) 8.372 13.708 ( 3.826 -6.769 -5.673) 9.625 14.268 ( -3.869 4.081 2.843) 6.302 14.313 ( -4.255 5.145 -1.546) 6.853 14.536 ( -4.648 0.077 3.731) 5.960 14.607 ( -5.401 -0.257 -3.124) 6.244 15.077 ( -2.395 1.560 5.043) 5.796 15.156 ( 0.545 0.797 -2.364) 2.554 15.475 ( -11.480 0.764 6.318) 13.126 15.655 ( -10.899 -2.528 -10.908) 15.626 16.179 ( 5.202 1.605 2.551) 6.012 16.238 ( 5.216 1.273 -3.071) 6.185 16.739 ( -1.236 -5.697 7.251) 9.304 16.858 ( 1.970 -7.909 -4.288) 9.210 17.149 ( 5.400 4.195 0.409) 6.850 17.191 ( 5.338 4.074 -3.741) 7.687 17.646 ( 2.782 -3.444 3.238) 5.485 17.700 ( 2.669 -3.716 -1.578) 4.840 17.990 ( 2.711 2.824 8.254) 9.135 18.159 ( 2.758 -0.097 -7.761) 8.237 18.542 ( 2.904 -0.870 2.730) 4.080 18.602 ( 2.430 -0.030 -3.137) 3.969 18.814 ( -0.981 1.054 1.622) 2.169 18.846 ( -0.577 0.609 -1.357) 1.596 19.114 ( -2.377 -4.690 3.633) 6.391 19.196 ( -1.590 -8.083 -4.198) 9.246 19.549 ( 0.670 9.341 2.621) 9.725 19.637 ( 0.672 11.853 -6.731) 13.648 20.176 ( 5.287 -2.002 3.224) 6.508 20.247 ( 4.976 -0.368 -3.895) 6.330 20.674 ( 0.778 2.369 6.238) 6.718 20.808 ( -2.862 1.578 -6.117) 6.935 20.905 ( -0.715 -0.016 3.782) 3.849 21.001 ( -0.603 -0.959 -5.761) 5.872 21.715 ( -1.503 -1.064 2.556) 3.150 21.748 ( -0.637 -1.606 -0.647) 1.845 22.145 ( -6.168 -0.007 6.057) 8.645 22.258 ( -6.111 -2.010 -5.230) 8.291 ======================= Grid point 168 (58/72) ======================= q-point: ( 0.30 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( 14.450 3.194 9.177) 17.413 1.948 ( 14.129 3.708 7.180) 16.277 2.133 ( 6.229 0.795 -6.042) 8.714 2.209 ( 5.732 3.808 -8.133) 10.654 2.518 ( -2.387 -3.609 6.119) 7.494 2.616 ( -4.803 -3.446 -2.817) 6.548 2.750 ( -4.895 -4.476 4.303) 7.906 2.813 ( 2.088 -7.292 -1.158) 7.673 2.876 ( -4.657 -0.729 -2.639) 5.402 2.932 ( 2.023 -0.407 -3.725) 4.259 3.038 ( -2.598 -0.239 2.282) 3.466 3.078 ( -2.465 1.856 -1.980) 3.666 3.205 ( -4.613 0.185 -0.461) 4.640 3.236 ( -3.190 0.538 -2.848) 4.310 3.356 ( -3.394 2.882 5.334) 6.948 3.454 ( -4.639 3.990 -3.397) 6.998 3.622 ( 1.319 -0.234 5.100) 5.273 3.694 ( 0.606 1.178 -0.381) 1.379 3.771 ( 4.959 -1.515 2.378) 5.705 3.857 ( 1.780 -0.869 -3.549) 4.064 3.971 ( 8.607 3.500 6.835) 11.535 4.196 ( 12.325 4.403 -12.558) 18.138 4.496 ( -1.454 1.613 2.770) 3.520 4.538 ( -5.437 2.140 -0.174) 5.845 4.691 ( 0.121 -1.541 3.822) 4.122 4.807 ( 3.942 -2.616 -5.884) 7.550 4.936 ( 0.312 -1.728 5.549) 5.820 5.062 ( -0.460 -0.156 -6.177) 6.196 5.374 ( 0.908 9.083 2.919) 9.584 5.407 ( 1.710 4.923 0.304) 5.221 5.515 ( -1.408 1.316 2.984) 3.553 5.575 ( -1.482 1.643 -3.276) 3.953 5.814 ( -1.659 -0.574 3.345) 3.777 5.871 ( -0.477 -1.469 -1.444) 2.114 6.075 ( 1.707 -2.647 0.617) 3.209 6.098 ( 1.241 -2.870 -1.476) 3.457 6.152 ( 0.323 -0.598 2.388) 2.483 6.213 ( 0.720 -0.812 -2.550) 2.771 6.271 ( 0.289 -3.728 0.506) 3.773 6.299 ( -3.910 -3.395 -1.377) 5.358 7.358 ( 2.518 1.885 2.960) 4.319 7.411 ( 1.743 2.892 -2.100) 3.976 7.647 ( -0.499 -0.405 2.650) 2.727 7.685 ( -0.418 -0.006 -1.110) 1.186 7.856 ( -1.267 -0.579 2.896) 3.214 7.889 ( -1.448 0.468 -0.329) 1.557 8.154 ( -5.092 -4.814 1.258) 7.119 8.193 ( -7.327 -3.785 -2.469) 8.608 8.388 ( -0.734 2.470 4.773) 5.424 8.487 ( -1.183 2.074 -4.533) 5.123 8.919 ( -2.803 -8.462 1.358) 9.017 8.948 ( -3.824 -7.181 -1.333) 8.245 9.549 ( 0.360 2.808 1.165) 3.062 9.573 ( -0.915 4.495 -0.284) 4.596 9.623 ( -0.778 3.578 0.476) 3.693 9.668 ( -0.150 4.433 -3.132) 5.430 10.237 ( 4.751 -0.960 3.588) 6.030 10.270 ( 5.036 -0.601 1.305) 5.236 10.341 ( 5.242 -1.017 -2.136) 5.751 10.387 ( 3.972 -2.071 -5.104) 6.791 11.117 ( 7.314 4.255 0.875) 8.506 11.122 ( 7.737 4.432 0.499) 8.930 11.527 ( 4.878 -1.821 0.189) 5.210 11.563 ( 4.090 -2.215 -3.173) 5.631 12.461 ( 1.495 -1.271 3.363) 3.894 12.489 ( 0.679 -2.082 1.189) 2.492 12.623 ( -1.844 -0.363 3.640) 4.096 12.658 ( 2.993 -0.138 0.109) 2.998 12.950 ( -0.152 6.450 3.167) 7.187 13.049 ( -6.944 5.132 -5.702) 10.347 13.706 ( 4.799 -8.293 4.132) 10.434 13.784 ( 3.362 -9.291 -3.134) 10.365 14.226 ( -0.533 3.628 1.467) 3.950 14.255 ( -1.596 4.340 -1.140) 4.763 14.454 ( -4.106 0.938 3.104) 5.232 14.518 ( -4.321 0.104 -2.949) 5.232 15.010 ( -3.885 2.242 6.854) 8.192 15.119 ( -4.226 1.485 -2.848) 5.308 15.290 ( -7.050 -0.129 3.908) 8.062 15.443 ( -10.411 -1.791 -10.573) 14.946 16.295 ( 6.325 1.028 2.942) 7.051 16.356 ( 6.415 0.870 -2.715) 7.020 16.706 ( -1.774 -2.681 8.336) 8.934 16.863 ( -1.427 -4.543 -6.762) 8.271 17.256 ( 5.387 3.697 -0.472) 6.550 17.288 ( 4.785 2.120 -3.583) 6.343 17.711 ( 3.974 -1.935 3.708) 5.769 17.758 ( 3.384 -3.570 -0.514) 4.946 18.046 ( 2.632 2.090 7.447) 8.170 18.183 ( -0.695 -0.446 -5.354) 5.418 18.592 ( 2.433 -0.762 1.855) 3.153 18.643 ( 2.476 -1.547 -2.913) 4.124 18.813 ( 0.663 -0.645 2.031) 2.232 18.852 ( 0.812 -1.399 -1.295) 2.072 19.032 ( -5.589 -2.674 3.793) 7.265 19.129 ( -5.244 -8.221 -5.219) 11.060 19.559 ( 0.905 9.030 2.232) 9.346 19.627 ( -0.807 11.388 -4.800) 12.385 20.268 ( 3.378 -3.943 3.950) 6.524 20.348 ( 4.348 -2.992 -4.144) 6.710 20.691 ( 1.355 1.263 2.332) 2.978 20.745 ( -2.622 2.158 -2.575) 4.262 20.900 ( -0.239 0.256 2.879) 2.900 20.980 ( -1.546 -1.580 -4.937) 5.409 21.692 ( -0.566 0.334 3.674) 3.732 21.739 ( -0.353 -0.285 -0.992) 1.091 22.045 ( -4.302 0.452 4.471) 6.222 22.143 ( -5.740 -1.240 -4.990) 7.707 ======================= Grid point 169 (59/72) ======================= q-point: ( 0.40 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( 3.898 2.962 5.672) 7.493 2.121 ( -2.257 2.172 1.297) 3.390 2.215 ( 8.922 -0.010 3.525) 9.593 2.323 ( 6.730 -0.547 -7.057) 9.767 2.487 ( 0.858 0.663 -0.660) 1.270 2.543 ( -0.888 -0.051 -5.049) 5.127 2.709 ( -1.890 -6.051 4.888) 8.005 2.795 ( -3.795 -5.667 -1.876) 7.074 2.844 ( 1.071 -0.302 3.262) 3.446 2.915 ( -2.985 0.931 -3.075) 4.385 2.982 ( -1.595 0.144 3.638) 3.975 3.057 ( -0.787 1.372 -2.806) 3.222 3.118 ( -4.283 -0.906 -1.091) 4.511 3.172 ( -0.967 1.698 -4.109) 4.550 3.269 ( -4.668 5.577 4.233) 8.415 3.380 ( -3.426 5.311 -5.059) 8.096 3.604 ( -0.668 -1.233 4.446) 4.661 3.684 ( -0.960 -0.441 -0.277) 1.092 3.805 ( -1.331 -0.410 -1.665) 2.171 3.863 ( -1.283 -2.142 -4.359) 5.023 4.270 ( 15.611 0.301 7.349) 17.257 4.392 ( 5.707 2.829 -2.708) 6.921 4.489 ( 2.116 3.648 2.052) 4.690 4.523 ( 2.932 0.343 -2.349) 3.772 4.697 ( 1.759 -0.186 7.658) 7.860 4.838 ( 0.337 2.451 -2.369) 3.425 4.993 ( 4.373 -7.231 0.394) 8.459 5.064 ( 0.322 -5.091 -4.606) 6.873 5.354 ( -2.271 5.421 4.346) 7.310 5.403 ( -3.055 6.061 1.047) 6.867 5.506 ( 0.813 1.206 0.382) 1.504 5.560 ( -0.069 2.237 -3.535) 4.184 5.740 ( -4.704 2.536 2.861) 6.062 5.803 ( -6.263 -0.611 -2.327) 6.709 6.088 ( 0.394 -1.203 0.977) 1.599 6.108 ( 0.033 -1.950 -1.408) 2.405 6.131 ( -0.275 -1.271 -0.492) 1.390 6.151 ( -2.127 -0.742 -1.861) 2.922 6.343 ( 3.741 -3.482 0.398) 5.126 6.348 ( 3.529 -2.948 -0.045) 4.599 7.403 ( 1.981 2.546 2.377) 4.008 7.434 ( 0.446 3.478 -0.541) 3.548 7.661 ( 1.787 0.196 2.593) 3.155 7.693 ( 0.988 0.837 -0.244) 1.317 7.817 ( -2.083 -1.948 2.199) 3.601 7.853 ( -2.228 -1.318 -0.862) 2.729 8.050 ( -4.824 -3.843 0.052) 6.168 8.069 ( -5.110 -3.887 -1.479) 6.588 8.398 ( 1.387 2.107 3.344) 4.189 8.464 ( -1.450 1.685 -2.886) 3.643 8.880 ( -1.294 -7.411 0.472) 7.538 8.894 ( -1.980 -6.887 -0.789) 7.210 9.555 ( -0.295 4.934 0.761) 5.001 9.558 ( -0.052 4.676 0.402) 4.693 9.617 ( 0.358 4.419 0.382) 4.450 9.660 ( -0.829 4.158 -3.321) 5.385 10.314 ( 3.182 -0.970 3.691) 4.969 10.341 ( 2.239 -0.849 2.018) 3.132 10.420 ( 3.010 -1.641 -3.422) 4.844 10.443 ( 1.820 -2.202 -4.589) 5.405 11.221 ( 3.631 3.415 1.522) 5.212 11.229 ( 3.451 3.586 0.884) 5.054 11.596 ( 2.442 -1.862 -0.639) 3.136 11.617 ( 1.511 -1.954 -2.528) 3.534 12.491 ( 1.392 -0.657 2.998) 3.370 12.513 ( 1.771 -0.314 1.313) 2.227 12.587 ( -1.316 -0.346 4.152) 4.369 12.677 ( -1.817 -1.698 -3.546) 4.331 12.968 ( 1.231 6.031 0.333) 6.164 12.989 ( 0.802 6.384 -1.689) 6.653 13.781 ( 2.823 -10.391 3.225) 11.240 13.822 ( 0.631 -10.852 -0.534) 10.884 14.236 ( 1.529 4.003 1.687) 4.605 14.262 ( 2.249 3.924 -0.613) 4.564 14.376 ( -4.042 2.275 2.529) 5.283 14.433 ( -4.679 1.114 -2.644) 5.488 14.958 ( -1.092 2.200 5.291) 5.833 15.027 ( -4.328 1.961 -0.353) 4.764 15.204 ( -2.522 -1.145 -0.863) 2.901 15.277 ( -6.720 -1.454 -8.194) 10.697 16.404 ( 4.837 0.907 3.662) 6.134 16.457 ( 3.493 0.981 -0.607) 3.679 16.688 ( 0.400 -1.513 4.729) 4.982 16.811 ( -3.782 -2.389 -6.358) 7.774 17.343 ( 3.660 2.543 -0.948) 4.557 17.366 ( 2.998 0.879 -2.936) 4.287 17.785 ( 3.306 -3.527 3.043) 5.713 17.814 ( 1.969 -5.003 0.378) 5.389 18.085 ( 1.677 3.736 4.005) 5.728 18.149 ( -2.065 2.155 -2.105) 3.653 18.642 ( 2.919 -0.501 2.378) 3.798 18.693 ( 1.996 0.123 -1.781) 2.678 18.826 ( 0.411 -2.309 2.185) 3.205 18.863 ( 0.370 -3.966 -0.227) 3.990 18.935 ( -3.604 -1.667 0.924) 4.077 19.012 ( -6.293 -5.764 -5.063) 9.923 19.585 ( 1.586 8.730 1.452) 8.990 19.619 ( -0.171 10.359 -1.929) 10.539 20.305 ( 1.247 -5.031 2.255) 5.653 20.378 ( -1.155 -5.385 -4.588) 7.168 20.724 ( 1.700 1.541 0.844) 2.445 20.737 ( 1.478 1.607 -0.456) 2.230 20.893 ( -0.321 -0.290 1.829) 1.879 20.943 ( -2.299 -1.898 -2.970) 4.209 21.697 ( 0.979 1.985 3.217) 3.906 21.733 ( -0.386 1.625 -0.233) 1.687 21.985 ( -1.844 -0.597 2.159) 2.901 22.045 ( -4.426 -1.325 -3.519) 5.808 ======================= Grid point 170 (60/72) ======================= q-point: (-0.50 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( -0.966 3.534 3.410) 5.005 2.068 ( 0.966 3.534 3.410) 5.005 2.351 ( -4.368 -1.141 -3.376) 5.637 2.351 ( 4.368 -1.141 -3.376) 5.637 2.579 ( -7.654 -1.350 0.838) 7.817 2.579 ( 7.654 -1.350 0.838) 7.817 2.661 ( -8.597 -2.355 -3.624) 9.623 2.661 ( 8.597 -2.355 -3.624) 9.623 2.886 ( -2.152 -1.349 4.389) 5.071 2.886 ( 2.152 -1.349 4.389) 5.071 2.998 ( -3.907 -2.198 -2.024) 4.918 2.998 ( 3.907 -2.198 -2.024) 4.918 3.122 ( -4.293 5.272 4.282) 8.035 3.122 ( 4.293 5.272 4.282) 8.035 3.288 ( -5.634 5.082 -6.148) 9.765 3.288 ( 5.634 5.082 -6.148) 9.765 3.637 ( -3.503 0.287 4.792) 5.943 3.637 ( 3.503 0.287 4.792) 5.943 3.813 ( -2.733 -2.000 -7.079) 7.847 3.813 ( 2.733 -2.000 -7.079) 7.847 4.430 ( -2.281 2.451 3.058) 4.534 4.430 ( 2.281 2.451 3.058) 4.534 4.535 ( -1.007 -1.032 -0.766) 1.632 4.535 ( 1.007 -1.032 -0.766) 1.632 4.804 ( -6.013 0.019 6.100) 8.565 4.804 ( 6.013 0.019 6.100) 8.565 5.053 ( -1.693 -7.410 -2.645) 8.048 5.053 ( 1.693 -7.410 -2.645) 8.048 5.337 ( -1.790 5.628 3.049) 6.646 5.337 ( 1.790 5.628 3.049) 6.646 5.542 ( -2.253 0.250 -3.457) 4.134 5.542 ( 2.253 0.250 -3.457) 4.134 5.704 ( -2.095 5.310 -0.480) 5.729 5.704 ( 2.095 5.310 -0.480) 5.729 6.101 ( -0.720 -0.209 0.886) 1.161 6.101 ( 0.720 -0.209 0.886) 1.161 6.135 ( -0.390 -2.535 -1.961) 3.229 6.135 ( 0.390 -2.535 -1.961) 3.229 6.381 ( -0.126 -3.185 0.325) 3.204 6.381 ( 0.126 -3.185 0.325) 3.204 7.429 ( -0.812 3.379 1.151) 3.660 7.429 ( 0.812 3.379 1.151) 3.660 7.695 ( -1.181 1.266 2.441) 2.992 7.695 ( 1.181 1.266 2.441) 2.992 7.811 ( -1.609 -2.855 -0.923) 3.405 7.811 ( 1.609 -2.855 -0.923) 3.405 8.008 ( -0.806 -3.868 -0.478) 3.980 8.008 ( 0.806 -3.868 -0.478) 3.980 8.431 ( -1.891 1.948 0.208) 2.723 8.431 ( 1.891 1.948 0.208) 2.723 8.871 ( -0.381 -6.810 -0.228) 6.824 8.871 ( 0.381 -6.810 -0.228) 6.824 9.554 ( -0.292 5.512 1.180) 5.644 9.554 ( 0.292 5.512 1.180) 5.644 9.637 ( -1.423 4.014 -2.071) 4.736 9.637 ( 1.423 4.014 -2.071) 4.736 10.354 ( -0.875 -0.949 3.067) 3.328 10.354 ( 0.875 -0.949 3.067) 3.328 10.455 ( -0.616 -1.991 -4.227) 4.713 10.455 ( 0.616 -1.991 -4.227) 4.713 11.258 ( -0.251 3.147 1.407) 3.456 11.258 ( 0.251 3.147 1.407) 3.456 11.624 ( -0.578 -1.954 -1.601) 2.591 11.624 ( 0.578 -1.954 -1.601) 2.591 12.517 ( -1.273 0.281 3.869) 4.083 12.517 ( 1.273 0.281 3.869) 4.083 12.613 ( -3.681 -1.331 -2.179) 4.480 12.613 ( 3.681 -1.331 -2.179) 4.480 12.997 ( -0.882 6.093 -0.257) 6.162 12.997 ( 0.882 6.093 -0.257) 6.162 13.816 ( -1.041 -11.642 1.400) 11.772 13.816 ( 1.041 -11.642 1.400) 11.772 14.284 ( -2.757 4.114 2.886) 5.732 14.284 ( 2.757 4.114 2.886) 5.732 14.346 ( -3.622 2.449 -2.015) 4.814 14.346 ( 3.622 2.449 -2.015) 4.814 14.969 ( -1.917 1.871 2.499) 3.663 14.969 ( 1.917 1.871 2.499) 3.663 15.194 ( -1.842 -1.340 -4.929) 5.429 15.194 ( 1.842 -1.340 -4.929) 5.429 16.470 ( -1.867 1.076 3.327) 3.964 16.470 ( 1.867 1.076 3.327) 3.964 16.733 ( -3.882 -1.573 -2.651) 4.957 16.733 ( 3.882 -1.573 -2.651) 4.957 17.388 ( -0.761 1.209 -1.761) 2.267 17.388 ( 0.761 1.209 -1.761) 2.267 17.824 ( -0.789 -5.587 1.437) 5.823 17.824 ( 0.789 -5.587 1.437) 5.823 18.116 ( -1.572 4.733 0.920) 5.072 18.116 ( 1.572 4.733 0.920) 5.072 18.693 ( -1.946 0.642 0.996) 2.278 18.693 ( 1.946 0.642 0.996) 2.278 18.849 ( -2.270 -3.197 2.242) 4.516 18.849 ( 2.270 -3.197 2.242) 4.516 18.922 ( -2.542 -4.259 -3.823) 6.262 18.922 ( 2.542 -4.259 -3.823) 6.262 19.611 ( -0.916 9.367 0.195) 9.413 19.611 ( 0.916 9.367 0.195) 9.413 20.337 ( -2.271 -5.595 -1.840) 6.312 20.337 ( 2.271 -5.595 -1.840) 6.312 20.751 ( -0.602 1.462 0.624) 1.700 20.751 ( 0.602 1.462 0.624) 1.700 20.902 ( -1.547 -1.457 -0.567) 2.199 20.902 ( 1.547 -1.457 -0.567) 2.199 21.719 ( -1.086 2.695 1.612) 3.323 21.719 ( 1.086 2.695 1.612) 3.323 21.983 ( -1.763 -1.468 -0.925) 2.473 21.983 ( 1.763 -1.468 -0.925) 2.473 ======================= Grid point 176 (61/72) ======================= q-point: ( 0.00 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 0.000 18.059 16.471) 24.442 1.649 ( 0.000 18.959 20.106) 27.635 1.882 ( 0.000 10.162 -15.234) 18.312 2.056 ( 0.000 13.959 -17.208) 22.158 2.310 ( 0.000 -12.209 15.617) 19.823 2.349 ( 0.000 -11.810 8.993) 14.844 2.508 ( 0.000 -8.914 -7.102) 11.398 2.636 ( 0.000 -10.385 -9.675) 14.194 2.771 ( 0.000 11.955 21.375) 24.491 3.018 ( 0.000 -2.828 -0.985) 2.994 3.144 ( 0.000 8.139 6.370) 10.335 3.207 ( 0.000 2.820 4.546) 5.350 3.292 ( 0.000 3.302 -4.776) 5.807 3.404 ( 0.000 -4.977 5.766) 7.617 3.498 ( 0.000 -0.133 -1.112) 1.120 3.563 ( 0.000 -2.158 -1.689) 2.740 3.590 ( 0.000 -2.512 -7.083) 7.516 3.603 ( 0.000 14.071 -19.568) 24.101 3.841 ( 0.000 -11.070 5.346) 12.293 3.876 ( 0.000 3.544 -0.797) 3.633 3.999 ( 0.000 -1.577 0.039) 1.578 4.074 ( 0.000 -1.341 -1.457) 1.980 4.314 ( 0.000 -7.475 -0.183) 7.478 4.394 ( 0.000 -12.024 -9.506) 15.328 4.789 ( 0.000 2.076 9.702) 9.922 4.933 ( 0.000 -3.173 4.364) 5.396 4.975 ( 0.000 6.125 -8.451) 10.437 5.108 ( 0.000 -0.167 -10.328) 10.329 5.428 ( 0.000 6.771 6.534) 9.409 5.501 ( 0.000 0.015 -0.348) 0.348 5.569 ( 0.000 4.276 1.090) 4.413 5.582 ( 0.000 2.219 2.619) 3.432 5.639 ( 0.000 4.381 -2.153) 4.882 5.700 ( 0.000 -2.215 -7.356) 7.682 5.820 ( 0.000 -2.587 4.567) 5.249 5.916 ( 0.000 -2.170 -4.375) 4.884 6.145 ( 0.000 5.345 4.992) 7.313 6.194 ( 0.000 5.065 0.424) 5.082 6.464 ( 0.000 -6.075 3.655) 7.089 6.508 ( 0.000 -6.512 -0.486) 6.530 7.369 ( 0.000 2.065 1.143) 2.360 7.388 ( 0.000 1.220 -0.555) 1.341 7.731 ( 0.000 -0.560 1.444) 1.549 7.756 ( 0.000 -0.424 -1.240) 1.311 7.829 ( 0.000 -0.984 1.782) 2.036 7.863 ( 0.000 -1.324 -1.836) 2.263 8.155 ( 0.000 -2.606 2.601) 3.682 8.195 ( 0.000 -3.992 -1.449) 4.247 8.645 ( 0.000 4.074 6.723) 7.861 8.795 ( 0.000 4.062 -7.672) 8.681 8.921 ( 0.000 -8.906 3.281) 9.491 8.998 ( 0.000 -6.489 -4.152) 7.704 9.584 ( 0.000 2.441 2.326) 3.372 9.628 ( 0.000 2.032 -1.599) 2.586 9.663 ( 0.000 -1.010 3.050) 3.213 9.711 ( 0.000 -1.600 -1.355) 2.096 9.966 ( 0.000 1.184 1.561) 1.959 10.019 ( 0.000 -1.002 -3.347) 3.494 10.109 ( 0.000 1.135 0.480) 1.233 10.140 ( 0.000 -0.342 -2.327) 2.352 10.819 ( 0.000 8.345 0.436) 8.356 10.844 ( 0.000 7.909 -1.781) 8.107 11.130 ( 0.000 -6.193 2.818) 6.804 11.196 ( 0.000 -7.904 -3.600) 8.685 12.382 ( 0.000 -1.823 5.172) 5.484 12.425 ( 0.000 -3.588 1.016) 3.729 12.576 ( 0.000 1.422 1.568) 2.117 12.603 ( 0.000 0.647 -0.686) 0.943 13.153 ( 0.000 -2.119 8.214) 8.483 13.214 ( 0.000 -3.391 0.910) 3.511 13.597 ( 0.000 2.514 -2.680) 3.675 13.673 ( 0.000 -1.148 -8.876) 8.950 14.479 ( 0.000 5.665 8.278) 10.031 14.615 ( 0.000 3.052 -2.315) 3.831 14.749 ( 0.000 -0.988 2.976) 3.136 14.831 ( 0.000 -1.675 -2.902) 3.351 14.980 ( 0.000 3.629 2.318) 4.306 15.053 ( 0.000 -0.133 -4.071) 4.074 15.743 ( 0.000 -0.056 0.218) 0.225 15.774 ( 0.000 -1.797 -2.900) 3.412 16.186 ( 0.000 2.920 3.082) 4.245 16.264 ( 0.000 2.204 -4.110) 4.664 16.515 ( 0.000 -10.025 3.746) 10.702 16.573 ( 0.000 -9.484 -1.961) 9.685 17.079 ( 0.000 3.587 1.100) 3.752 17.098 ( 0.000 2.262 -0.636) 2.350 17.491 ( 0.000 -3.423 0.478) 3.456 17.501 ( 0.000 -4.133 -0.682) 4.189 18.048 ( 0.000 2.728 5.620) 6.248 18.131 ( 0.000 -0.845 -2.476) 2.616 18.457 ( 0.000 2.210 1.960) 2.954 18.529 ( 0.000 -0.499 -4.910) 4.936 18.971 ( 0.000 3.466 3.567) 4.973 19.035 ( 0.000 -0.037 -1.516) 1.516 19.082 ( 0.000 1.841 -0.569) 1.927 19.092 ( 0.000 1.065 -0.714) 1.282 19.645 ( 0.000 10.590 5.110) 11.758 19.784 ( 0.000 13.498 -8.463) 15.931 20.032 ( 0.000 -6.512 5.831) 8.741 20.158 ( 0.000 -4.391 -5.738) 7.225 20.747 ( 0.000 6.147 5.809) 8.457 20.862 ( 0.000 2.286 -2.535) 3.414 20.946 ( 0.000 -1.334 -2.742) 3.049 20.987 ( 0.000 -1.043 -5.173) 5.277 21.713 ( 0.000 -1.356 1.715) 2.186 21.730 ( 0.000 -2.277 0.327) 2.301 22.274 ( 0.000 -2.852 2.664) 3.902 22.313 ( 0.000 -4.049 -1.168) 4.214 ======================= Grid point 177 (62/72) ======================= q-point: ( 0.10 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( 5.685 17.949 15.682) 24.503 1.708 ( 6.271 16.089 16.988) 24.223 1.954 ( 6.346 10.592 -13.027) 17.949 2.109 ( 4.848 11.518 -15.551) 19.950 2.316 ( 1.402 -11.867 12.567) 17.341 2.372 ( 2.199 -13.733 10.425) 17.382 2.504 ( 0.441 -10.205 -6.578) 12.150 2.658 ( 2.098 -12.067 -11.645) 16.900 2.854 ( 6.862 9.431 16.413) 20.135 3.007 ( -1.336 -1.548 0.400) 2.083 3.126 ( -1.817 6.176 5.178) 8.261 3.204 ( -0.558 4.984 3.422) 6.071 3.285 ( -0.314 3.112 -2.827) 4.216 3.374 ( -2.426 -2.480 4.237) 5.476 3.464 ( -2.478 0.576 -1.011) 2.738 3.544 ( -1.955 0.734 -0.999) 2.315 3.579 ( 0.375 -2.778 -4.756) 5.521 3.669 ( 3.840 9.022 -12.469) 15.863 3.843 ( -0.866 -1.166 1.413) 2.026 3.881 ( 0.304 -1.451 -1.261) 1.946 3.962 ( -2.946 -1.092 1.263) 3.386 4.064 ( -0.179 -0.586 -3.752) 3.802 4.331 ( 2.236 -8.771 0.578) 9.070 4.421 ( 2.967 -10.460 -8.976) 14.099 4.755 ( -3.186 2.949 8.885) 9.889 4.908 ( -4.327 -0.668 -3.338) 5.506 4.975 ( 1.284 3.278 -0.052) 3.520 5.100 ( -0.831 -0.708 -8.147) 8.220 5.428 ( 1.108 7.265 4.487) 8.611 5.488 ( 0.109 3.438 -1.213) 3.647 5.585 ( 1.060 4.529 3.316) 5.713 5.631 ( 3.096 0.071 1.656) 3.512 5.696 ( 4.793 2.389 -1.930) 5.692 5.738 ( 3.289 -0.084 -5.636) 6.526 5.841 ( 2.806 -4.174 3.979) 6.413 5.931 ( 1.531 -2.691 -4.020) 5.074 6.145 ( -0.199 4.629 4.251) 6.288 6.192 ( -0.312 4.294 -0.051) 4.305 6.413 ( -5.218 -6.225 3.013) 8.664 6.451 ( -5.495 -7.070 -0.549) 8.971 7.359 ( -0.464 2.424 2.300) 3.374 7.398 ( 0.756 1.169 -1.287) 1.896 7.702 ( -2.549 -1.142 1.102) 3.003 7.726 ( -2.261 -1.360 -1.333) 2.956 7.853 ( 1.756 0.771 2.107) 2.849 7.889 ( 2.050 -0.263 -1.484) 2.545 8.149 ( -0.571 -2.959 3.200) 4.396 8.207 ( 0.628 -5.060 -2.416) 5.643 8.600 ( -4.118 5.063 5.872) 8.779 8.726 ( -6.029 4.631 -6.214) 9.819 8.895 ( -3.057 -9.124 3.371) 10.196 8.966 ( -3.489 -7.813 -3.434) 9.220 9.572 ( 0.059 2.510 3.924) 4.658 9.644 ( 1.164 1.486 -0.411) 1.932 9.661 ( -0.453 0.339 -0.486) 0.746 9.711 ( 0.286 0.061 -2.596) 2.613 10.012 ( 4.540 0.395 1.254) 4.727 10.061 ( 3.878 -1.101 -3.064) 5.064 10.147 ( 3.689 0.689 0.949) 3.871 10.184 ( 3.785 -0.759 -2.344) 4.516 10.895 ( 7.471 8.152 0.384) 11.065 10.914 ( 6.814 7.605 -1.199) 10.281 11.202 ( 6.852 -5.550 1.707) 8.981 11.255 ( 5.676 -7.147 -3.272) 9.696 12.387 ( 0.590 -1.650 5.059) 5.354 12.424 ( 0.039 -3.186 1.562) 3.548 12.585 ( 0.913 0.978 1.328) 1.885 12.611 ( 0.643 -0.102 -0.710) 0.964 13.157 ( 0.187 1.574 8.970) 9.109 13.249 ( 3.034 -2.872 -0.048) 4.178 13.550 ( -4.214 0.801 -2.533) 4.982 13.624 ( -4.418 -2.689 -8.596) 10.032 14.437 ( -4.182 5.072 7.058) 9.645 14.559 ( -9.925 5.089 -2.106) 11.350 14.606 ( -3.889 -1.376 3.668) 5.520 14.716 ( -7.650 -1.630 -4.436) 8.993 15.089 ( 4.989 1.788 2.382) 5.811 15.123 ( 4.128 0.643 -0.934) 4.281 15.678 ( -6.909 0.434 1.137) 7.016 15.742 ( -4.388 -3.083 -5.196) 7.468 16.175 ( 0.298 3.679 2.778) 4.620 16.239 ( -1.106 2.619 -3.123) 4.223 16.562 ( 3.984 -8.758 3.264) 10.161 16.616 ( 4.086 -9.406 -1.950) 10.439 17.131 ( 4.215 3.356 1.158) 5.511 17.154 ( 5.661 2.767 -0.963) 6.374 17.510 ( 2.030 -3.542 1.190) 4.253 17.543 ( 3.747 -4.491 -2.122) 6.222 18.048 ( 0.338 4.000 5.254) 6.612 18.138 ( 0.977 -0.176 -3.417) 3.559 18.478 ( 1.759 0.927 2.580) 3.257 18.549 ( 1.627 -1.425 -4.215) 4.738 18.912 ( -4.366 3.345 2.646) 6.104 18.958 ( -5.166 3.203 -1.695) 6.310 19.068 ( -1.205 -1.878 2.334) 3.229 19.116 ( -0.467 -2.732 -2.340) 3.627 19.688 ( 3.544 10.428 5.018) 12.103 19.815 ( 2.209 11.267 -6.786) 13.337 20.054 ( 2.440 -4.730 4.154) 6.752 20.163 ( 0.970 -3.801 -5.578) 6.819 20.747 ( -0.046 5.713 5.744) 8.102 20.870 ( 0.640 2.318 -3.422) 4.182 20.922 ( -2.320 -1.179 -1.078) 2.817 20.985 ( -0.370 -1.581 -5.341) 5.582 21.707 ( -0.560 -1.409 1.719) 2.292 21.721 ( -0.718 -2.221 0.655) 2.424 22.233 ( -3.691 -1.203 3.158) 5.005 22.289 ( -2.700 -3.700 -2.301) 5.126 ======================= Grid point 178 (63/72) ======================= q-point: ( 0.20 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( 9.300 12.924 12.995) 20.552 1.870 ( 9.869 12.351 9.918) 18.663 2.068 ( 4.809 6.523 -6.298) 10.264 2.211 ( 5.212 6.196 -10.663) 13.389 2.358 ( 2.744 -12.118 9.492) 15.636 2.440 ( 4.507 -10.066 5.517) 12.332 2.554 ( 5.194 -10.442 -5.310) 12.814 2.704 ( 2.089 -9.838 -10.821) 14.773 2.930 ( -0.755 1.703 3.764) 4.200 2.968 ( -2.361 -0.069 0.201) 2.370 3.089 ( -1.842 3.857 5.496) 6.963 3.172 ( -2.743 3.612 -0.973) 4.638 3.258 ( -2.857 -1.389 0.612) 3.235 3.324 ( -4.481 -0.043 -1.853) 4.850 3.434 ( -0.020 5.228 4.323) 6.784 3.525 ( -0.127 0.517 -3.042) 3.089 3.604 ( 2.931 0.637 3.263) 4.432 3.712 ( 0.070 2.924 -0.720) 3.012 3.798 ( -3.520 3.182 -0.378) 4.760 3.832 ( -2.377 -1.752 -0.342) 2.973 3.969 ( 2.449 3.880 1.443) 4.810 4.118 ( 7.051 3.406 -10.973) 13.481 4.399 ( 4.548 -7.624 3.130) 9.413 4.507 ( 5.431 -8.165 -6.741) 11.900 4.689 ( -3.047 3.426 6.621) 8.053 4.812 ( -4.676 2.087 -4.795) 7.015 4.981 ( -1.218 1.172 2.719) 3.202 5.078 ( -1.444 -1.829 -5.579) 6.046 5.470 ( 2.417 7.024 3.078) 8.041 5.506 ( 0.849 5.452 -0.037) 5.518 5.592 ( -0.402 5.186 3.298) 6.159 5.653 ( -0.171 2.291 -2.068) 3.091 5.791 ( 3.309 0.667 -0.332) 3.392 5.806 ( 3.808 -1.582 -0.931) 4.228 5.929 ( 5.759 -4.461 1.394) 7.417 5.978 ( 3.549 -3.943 -2.579) 5.899 6.131 ( -1.146 2.239 3.169) 4.046 6.180 ( -0.718 1.678 -0.854) 2.015 6.286 ( -7.063 -5.455 1.952) 9.135 6.327 ( -6.751 -6.892 -1.514) 9.766 7.366 ( 1.322 2.897 3.409) 4.665 7.420 ( 1.758 1.399 -1.554) 2.732 7.655 ( -2.033 -1.087 1.280) 2.637 7.688 ( -1.533 -1.585 -1.777) 2.831 7.876 ( 0.332 1.598 2.842) 3.278 7.921 ( 0.943 1.045 -1.623) 2.149 8.125 ( -2.411 -4.206 3.349) 5.892 8.194 ( -2.546 -5.942 -3.157) 7.194 8.516 ( -4.137 5.742 4.589) 8.435 8.611 ( -5.156 4.914 -4.331) 8.336 8.815 ( -4.479 -9.173 3.172) 10.689 8.879 ( -4.995 -8.735 -2.841) 10.456 9.591 ( 1.403 2.940 3.618) 4.869 9.645 ( -0.058 1.648 0.817) 1.841 9.678 ( 1.271 2.731 -1.658) 3.439 9.724 ( 1.118 1.615 -3.753) 4.235 10.117 ( 5.830 -0.428 1.263) 5.981 10.149 ( 5.147 -1.169 -0.811) 5.340 10.230 ( 4.693 -0.369 -0.447) 4.728 10.263 ( 4.317 -1.904 -2.856) 5.515 11.069 ( 9.621 7.524 0.209) 12.215 11.073 ( 9.029 7.337 -0.029) 11.634 11.350 ( 7.739 -4.386 0.215) 8.898 11.384 ( 7.085 -5.597 -2.925) 9.492 12.406 ( 1.410 -1.219 4.620) 4.982 12.431 ( 0.775 -2.337 2.468) 3.486 12.609 ( 1.572 0.030 0.681) 1.714 12.622 ( 0.388 -0.823 -0.314) 0.963 13.141 ( -2.048 8.291 7.725) 11.516 13.272 ( -2.734 3.891 -3.883) 6.140 13.489 ( -0.294 -6.469 0.466) 6.492 13.563 ( -0.576 -8.186 -5.858) 10.082 14.344 ( -4.534 3.859 4.125) 7.243 14.394 ( -5.998 2.685 -0.082) 6.572 14.543 ( -3.653 0.950 1.133) 3.940 14.597 ( -4.984 -0.944 -3.331) 6.069 15.116 ( -1.427 2.441 4.994) 5.739 15.168 ( 0.315 0.216 0.555) 0.673 15.495 ( -11.132 1.545 0.893) 11.274 15.596 ( -10.165 -3.521 -8.344) 13.614 16.221 ( 4.268 2.882 2.477) 5.715 16.268 ( 4.108 1.583 -1.802) 4.757 16.631 ( 2.794 -4.883 4.387) 7.134 16.706 ( 4.576 -7.782 -2.811) 9.455 17.223 ( 5.278 4.029 1.627) 6.837 17.272 ( 5.879 3.724 -2.840) 7.516 17.558 ( 2.857 -4.552 2.236) 5.821 17.620 ( 3.751 -5.010 -3.344) 7.096 18.073 ( 2.436 5.554 4.937) 7.820 18.171 ( 2.217 1.053 -4.328) 4.976 18.503 ( 0.589 -2.472 3.045) 3.966 18.565 ( -0.321 -3.980 -2.950) 4.964 18.849 ( -1.822 3.002 2.289) 4.192 18.888 ( -1.891 3.205 -1.540) 4.027 19.032 ( -2.235 -3.872 2.167) 4.968 19.077 ( -3.105 -4.952 -2.201) 6.246 19.735 ( 0.972 10.063 4.436) 11.041 19.838 ( 0.062 9.037 -5.221) 10.437 20.117 ( 3.712 -3.817 3.491) 6.367 20.208 ( 3.405 -4.078 -5.182) 7.421 20.741 ( -0.569 4.674 4.784) 6.712 20.850 ( -3.300 2.391 -5.009) 6.457 20.895 ( 0.263 -1.021 1.976) 2.240 20.969 ( -1.324 -2.419 -5.007) 5.716 21.695 ( -0.365 -0.770 2.415) 2.561 21.715 ( 0.293 -1.681 0.534) 1.788 22.151 ( -4.738 0.700 2.826) 5.561 22.214 ( -4.841 -2.516 -3.332) 6.393 ======================= Grid point 179 (64/72) ======================= q-point: ( 0.30 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( 10.924 5.785 8.130) 14.795 2.055 ( 9.058 6.910 2.453) 11.654 2.148 ( 3.753 0.146 1.019) 3.892 2.265 ( 0.712 0.201 -4.260) 4.324 2.443 ( 5.173 -3.011 5.065) 7.841 2.515 ( 3.872 -5.403 1.789) 6.884 2.655 ( 0.445 -5.770 -4.177) 7.137 2.694 ( -1.089 -4.513 -5.035) 6.848 2.881 ( -3.371 1.192 -0.005) 3.576 2.933 ( 0.423 -0.351 -3.053) 3.102 3.045 ( -2.752 1.672 2.939) 4.360 3.115 ( -2.534 2.273 -3.430) 4.833 3.193 ( -4.016 -1.484 0.292) 4.291 3.221 ( -5.092 -2.056 -1.645) 5.732 3.405 ( -2.789 1.544 1.583) 3.559 3.495 ( -3.005 -1.026 -5.207) 6.099 3.622 ( -1.869 2.102 4.686) 5.465 3.694 ( -1.199 1.796 -1.077) 2.413 3.783 ( 1.307 -0.287 2.981) 3.267 3.834 ( 0.707 -1.972 -0.604) 2.180 4.084 ( 11.070 8.904 7.971) 16.290 4.302 ( 10.501 5.377 -10.722) 15.942 4.482 ( 3.764 -3.187 6.073) 7.823 4.567 ( -0.013 0.191 0.041) 0.196 4.671 ( 0.615 -0.258 1.546) 1.684 4.773 ( 2.009 0.580 -7.003) 7.309 4.936 ( -3.022 0.502 3.954) 5.002 5.037 ( -3.001 -2.826 -5.100) 6.558 5.487 ( -1.617 4.098 3.484) 5.616 5.502 ( -0.248 3.504 1.417) 3.788 5.570 ( -1.823 3.566 1.750) 4.371 5.640 ( -1.714 3.546 -4.112) 5.694 5.822 ( 0.515 2.509 1.399) 2.919 5.845 ( 0.287 0.502 -0.184) 0.607 6.015 ( 2.282 -3.767 0.769) 4.471 6.044 ( 2.092 -3.484 -2.078) 4.564 6.128 ( 0.667 -2.188 2.379) 3.300 6.172 ( -1.230 -2.429 -0.204) 2.730 6.202 ( 0.328 -3.845 -0.345) 3.875 6.229 ( -1.695 -3.086 -1.786) 3.948 7.409 ( 3.069 3.430 3.764) 5.946 7.467 ( 2.988 2.388 -1.424) 4.082 7.631 ( -0.405 -1.024 1.749) 2.067 7.673 ( 0.026 -1.497 -2.028) 2.521 7.858 ( -2.289 1.291 3.480) 4.361 7.911 ( -2.266 1.849 -1.638) 3.353 8.049 ( -5.111 -5.634 2.111) 7.895 8.104 ( -6.458 -5.382 -2.878) 8.886 8.460 ( -1.373 5.256 4.224) 6.882 8.544 ( -2.162 4.028 -3.616) 5.828 8.750 ( -2.163 -8.976 2.090) 9.467 8.797 ( -3.308 -8.298 -2.306) 9.226 9.615 ( 1.207 3.829 2.221) 4.588 9.653 ( 0.735 3.189 -0.475) 3.307 9.695 ( 0.513 4.041 0.505) 4.105 9.743 ( 0.565 2.852 -3.148) 4.285 10.215 ( 4.378 -1.031 2.839) 5.319 10.245 ( 4.470 -1.919 0.951) 4.957 10.319 ( 4.393 -1.258 -2.532) 5.224 10.341 ( 3.662 -2.550 -3.835) 5.884 11.223 ( 6.475 6.703 1.080) 9.383 11.233 ( 6.823 6.969 0.097) 9.753 11.474 ( 5.045 -3.890 -0.357) 6.381 11.500 ( 4.736 -4.521 -2.821) 7.129 12.440 ( 2.184 -0.674 3.796) 4.431 12.456 ( 1.910 -1.346 2.742) 3.603 12.616 ( -0.819 -0.166 1.281) 1.529 12.645 ( 1.445 -1.164 -1.117) 2.166 13.103 ( -1.027 9.564 2.850) 10.032 13.174 ( -4.939 7.842 -3.840) 10.032 13.531 ( 2.959 -9.952 2.942) 10.791 13.587 ( 1.750 -11.183 -2.401) 11.571 14.291 ( -0.944 3.142 2.139) 3.916 14.322 ( -1.807 2.340 -0.646) 3.026 14.475 ( -3.303 1.301 1.252) 3.765 14.515 ( -3.728 -0.447 -2.470) 4.494 15.063 ( -3.478 3.217 6.707) 8.212 15.140 ( -3.023 0.186 1.329) 3.307 15.297 ( -8.788 1.268 -1.111) 8.948 15.397 ( -9.855 -2.995 -9.075) 13.728 16.322 ( 5.818 1.823 3.104) 6.842 16.370 ( 5.980 0.283 -1.048) 6.078 16.663 ( 0.521 -1.300 5.003) 5.195 16.764 ( 1.112 -5.578 -4.402) 7.192 17.324 ( 5.093 3.971 0.540) 6.480 17.366 ( 3.895 5.490 -3.451) 7.564 17.615 ( 2.960 -6.818 3.066) 8.040 17.679 ( 2.467 -5.469 -2.752) 6.601 18.133 ( 3.447 6.608 3.934) 8.428 18.208 ( 1.417 3.533 -3.172) 4.955 18.513 ( 0.919 -6.897 2.633) 7.439 18.558 ( 0.491 -7.281 -1.940) 7.551 18.833 ( -0.362 3.163 2.332) 3.946 18.871 ( -0.550 2.885 -1.306) 3.214 18.987 ( -2.718 -2.633 0.519) 3.820 19.010 ( -3.758 -4.650 -1.677) 6.210 19.743 ( 0.535 10.103 3.584) 10.733 19.828 ( -0.653 9.478 -4.631) 10.570 20.172 ( 1.532 -5.653 4.109) 7.154 20.260 ( 1.248 -6.443 -4.445) 7.927 20.734 ( 0.165 3.237 2.605) 4.158 20.791 ( -2.220 2.177 -2.626) 4.070 20.897 ( -0.347 -0.632 0.591) 0.933 20.938 ( -1.908 -2.758 -3.294) 4.701 21.703 ( 1.311 0.882 3.007) 3.396 21.732 ( 1.447 -0.464 0.232) 1.537 22.058 ( -4.858 0.962 1.878) 5.296 22.114 ( -5.486 -1.808 -3.401) 6.704 ======================= Grid point 180 (65/72) ======================= q-point: ( 0.40 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( 4.865 3.024 4.658) 7.383 2.169 ( 0.433 2.086 1.555) 2.637 2.217 ( 5.624 0.711 2.755) 6.303 2.305 ( 4.755 -1.626 -4.749) 6.914 2.505 ( 2.520 1.281 0.071) 2.827 2.555 ( -3.583 1.384 -4.102) 5.620 2.601 ( 1.416 -4.674 3.405) 5.954 2.686 ( -2.138 -5.446 -4.034) 7.107 2.855 ( -0.074 1.369 2.392) 2.757 2.925 ( -1.647 -0.623 -3.407) 3.835 2.983 ( -4.722 0.408 2.850) 5.531 3.046 ( -6.042 -2.079 -3.249) 7.168 3.140 ( 2.036 3.627 3.136) 5.209 3.219 ( 5.096 2.449 -3.125) 6.460 3.363 ( -2.130 2.547 1.750) 3.753 3.442 ( -2.419 0.345 -3.675) 4.413 3.592 ( -0.299 1.290 3.772) 3.997 3.672 ( -0.782 0.636 -1.893) 2.145 3.777 ( -2.545 -2.951 -0.149) 3.900 3.814 ( -2.701 -3.055 -2.562) 4.815 4.321 ( 11.349 5.092 7.264) 14.405 4.465 ( 5.824 3.875 -5.181) 8.705 4.537 ( 0.829 0.757 3.524) 3.698 4.563 ( 0.691 2.956 2.217) 3.759 4.686 ( 2.534 0.237 4.813) 5.445 4.848 ( 2.355 -1.751 -4.723) 5.561 4.886 ( -0.793 -3.575 0.784) 3.745 4.973 ( -3.164 -4.513 -4.329) 7.008 5.440 ( -2.056 4.203 4.194) 6.284 5.496 ( -2.372 3.155 0.017) 3.947 5.519 ( -1.292 0.674 1.052) 1.797 5.592 ( -2.894 -0.250 -4.175) 5.086 5.822 ( -0.149 6.065 0.917) 6.136 5.837 ( -0.766 5.010 -0.213) 5.073 6.035 ( 0.529 -4.388 -0.074) 4.421 6.061 ( -0.091 -3.531 -2.527) 4.343 6.121 ( -0.030 0.669 0.908) 1.129 6.140 ( -1.142 0.124 -0.866) 1.438 6.257 ( 3.615 -5.313 1.053) 6.512 6.271 ( 2.876 -5.070 -0.275) 5.836 7.471 ( 3.146 4.538 3.267) 6.416 7.517 ( 1.575 4.911 -0.954) 5.245 7.647 ( 2.426 -1.923 2.449) 3.948 7.693 ( 2.145 -1.686 -1.754) 3.243 7.792 ( -4.283 0.485 3.446) 5.518 7.842 ( -4.452 0.782 -1.324) 4.710 7.956 ( -4.157 -5.970 0.447) 7.289 7.981 ( -5.541 -5.154 -1.682) 7.752 8.461 ( 1.130 4.705 2.618) 5.502 8.514 ( -1.205 3.794 -2.388) 4.642 8.727 ( -0.450 -8.302 0.756) 8.348 8.752 ( -1.676 -7.742 -1.498) 8.062 9.642 ( 1.528 4.655 1.420) 5.101 9.666 ( 0.539 5.068 -0.750) 5.151 9.701 ( 0.227 4.157 1.163) 4.323 9.739 ( -0.895 3.510 -2.407) 4.350 10.284 ( 2.859 -1.724 3.835) 5.085 10.308 ( 2.055 -2.430 2.616) 4.120 10.386 ( 2.536 -1.816 -4.399) 5.393 10.396 ( 2.000 -2.475 -4.548) 5.551 11.312 ( 3.049 6.126 1.403) 6.985 11.323 ( 2.709 6.222 0.502) 6.805 11.542 ( 2.288 -3.962 -0.756) 4.637 11.560 ( 1.579 -4.222 -2.324) 5.071 12.484 ( 2.278 0.013 3.451) 4.135 12.503 ( 2.783 -0.654 2.146) 3.575 12.589 ( -1.672 0.688 1.549) 2.381 12.643 ( -1.830 -1.871 -2.688) 3.752 13.112 ( 1.665 9.133 0.756) 9.314 13.135 ( 0.578 9.039 -1.520) 9.184 13.567 ( 0.821 -11.868 2.312) 12.119 13.598 ( -0.684 -12.489 -0.582) 12.521 14.301 ( 1.720 2.830 1.810) 3.774 14.321 ( 1.464 2.180 0.223) 2.635 14.419 ( -2.621 2.066 0.609) 3.393 14.451 ( -3.224 0.508 -2.032) 3.845 15.010 ( -1.554 3.138 5.480) 6.503 15.067 ( -3.951 1.658 1.737) 4.623 15.180 ( -3.490 -0.879 -2.664) 4.478 15.240 ( -6.410 -2.482 -7.386) 10.090 16.428 ( 5.059 1.737 4.024) 6.693 16.475 ( 4.344 0.522 0.763) 4.441 16.660 ( -0.181 -0.858 2.351) 2.510 16.748 ( -2.514 -4.085 -4.892) 6.851 17.405 ( 3.179 3.740 -0.665) 4.954 17.423 ( 2.124 5.856 -2.471) 6.701 17.664 ( 2.072 -8.120 2.435) 8.727 17.708 ( 0.434 -6.768 -1.791) 7.015 18.195 ( 2.887 7.552 2.118) 8.358 18.228 ( 0.909 6.607 -1.097) 6.759 18.547 ( 2.602 -9.063 2.863) 9.854 18.589 ( 1.924 -9.974 -1.095) 10.217 18.826 ( -0.194 2.698 1.702) 3.196 18.854 ( -1.158 2.280 -0.965) 2.733 18.921 ( -3.644 -0.786 -0.224) 3.734 18.945 ( -3.117 -2.091 -2.036) 4.270 19.767 ( 1.873 10.310 2.379) 10.746 19.820 ( -0.344 10.647 -2.748) 11.001 20.180 ( -0.023 -7.973 2.751) 8.434 20.246 ( -2.340 -8.537 -3.562) 9.541 20.754 ( 1.800 1.970 1.026) 2.859 20.776 ( 0.446 1.976 -1.096) 2.304 20.882 ( -1.126 -0.926 -0.053) 1.459 20.899 ( -2.101 -2.507 -1.714) 3.693 21.742 ( 2.494 2.538 2.918) 4.602 21.766 ( 1.885 1.601 0.719) 2.575 21.973 ( -3.650 -0.404 0.612) 3.723 22.013 ( -4.885 -2.023 -2.931) 6.045 ======================= Grid point 181 (66/72) ======================= q-point: (-0.50 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.148 ( -1.253 4.422 4.185) 6.216 2.148 ( 1.253 4.422 4.185) 6.216 2.326 ( -4.117 -1.317 -3.560) 5.600 2.326 ( 4.117 -1.317 -3.560) 5.600 2.555 ( -2.798 -0.919 -0.893) 3.078 2.555 ( 2.798 -0.919 -0.893) 3.078 2.609 ( -5.317 -3.092 -2.321) 6.574 2.609 ( 5.317 -3.092 -2.321) 6.574 2.877 ( -3.082 0.586 2.104) 3.778 2.877 ( 3.082 0.586 2.104) 3.778 2.950 ( -2.919 -2.575 -1.377) 4.129 2.950 ( 2.919 -2.575 -1.377) 4.129 3.241 ( -5.913 6.537 5.139) 10.203 3.241 ( 5.913 6.537 5.139) 10.203 3.372 ( -5.045 3.281 -4.183) 7.329 3.372 ( 5.045 3.281 -4.183) 7.329 3.637 ( -4.020 0.076 3.455) 5.301 3.637 ( 4.020 0.076 3.455) 5.301 3.753 ( -2.417 -4.342 -5.629) 7.509 3.753 ( 2.417 -4.342 -5.629) 7.509 4.481 ( -5.339 2.703 4.194) 7.307 4.481 ( 5.339 2.703 4.194) 7.307 4.548 ( -2.135 2.018 -0.931) 3.082 4.548 ( 2.135 2.018 -0.931) 3.082 4.788 ( -5.970 -0.878 5.225) 7.982 4.788 ( 5.970 -0.878 5.225) 7.982 4.926 ( -2.194 -6.266 -4.727) 8.150 4.926 ( 2.194 -6.266 -4.727) 8.150 5.436 ( -1.914 4.978 2.290) 5.805 5.436 ( 1.914 4.979 2.290) 5.805 5.540 ( -2.252 -0.624 -2.611) 3.504 5.540 ( 2.252 -0.624 -2.611) 3.504 5.825 ( -0.405 6.888 -0.026) 6.900 5.825 ( 0.405 6.888 -0.026) 6.900 6.047 ( -0.869 -4.844 -1.550) 5.160 6.047 ( 0.869 -4.844 -1.550) 5.160 6.130 ( -0.496 1.860 0.265) 1.943 6.130 ( 0.496 1.860 0.265) 1.943 6.297 ( -0.372 -5.586 0.587) 5.629 6.297 ( 0.372 -5.586 0.587) 5.629 7.517 ( -1.380 5.723 1.374) 6.045 7.517 ( 1.380 5.723 1.374) 6.045 7.711 ( -3.547 -1.758 2.696) 4.789 7.711 ( 3.547 -1.758 2.696) 4.789 7.757 ( -3.957 -0.377 -1.316) 4.187 7.757 ( 3.957 -0.377 -1.316) 4.187 7.917 ( -0.719 -5.646 -0.594) 5.722 7.917 ( 0.719 -5.646 -0.594) 5.722 8.490 ( -1.533 4.375 0.005) 4.635 8.490 ( 1.533 4.375 0.005) 4.635 8.729 ( -0.664 -7.825 -0.501) 7.869 8.729 ( 0.664 -7.825 -0.501) 7.869 9.665 ( -0.745 5.720 0.869) 5.833 9.665 ( 0.745 5.720 0.869) 5.833 9.715 ( -1.336 3.580 -1.072) 3.968 9.715 ( 1.336 3.580 -1.072) 3.968 10.320 ( -0.754 -2.295 3.742) 4.454 10.320 ( 0.754 -2.295 3.742) 4.454 10.413 ( -0.263 -2.197 -5.006) 5.473 10.413 ( 0.263 -2.197 -5.006) 5.473 11.344 ( -0.321 5.877 1.079) 5.984 11.344 ( 0.321 5.877 1.079) 5.984 11.568 ( -0.508 -4.132 -1.477) 4.418 11.568 ( 0.508 -4.132 -1.477) 4.418 12.524 ( -1.500 0.416 3.836) 4.140 12.524 ( 1.500 0.416 3.836) 4.140 12.592 ( -2.687 -0.843 -2.095) 3.510 12.592 ( 2.687 -0.843 -2.095) 3.510 13.143 ( -0.745 9.455 -0.060) 9.485 13.143 ( 0.745 9.455 -0.060) 9.485 13.578 ( -0.825 -13.346 0.685) 13.389 13.578 ( 0.825 -13.346 0.685) 13.389 14.341 ( -1.413 2.190 2.766) 3.801 14.341 ( 1.413 2.190 2.766) 3.801 14.395 ( -1.776 2.140 -2.072) 3.468 14.395 ( 1.776 2.140 -2.072) 3.468 15.012 ( -1.630 2.485 2.932) 4.175 15.012 ( 1.630 2.485 2.932) 4.175 15.162 ( -1.597 -2.008 -4.604) 5.271 15.162 ( 1.597 -2.008 -4.604) 5.271 16.500 ( -1.910 2.055 4.303) 5.137 16.500 ( 1.910 2.055 4.303) 5.137 16.687 ( -3.113 -3.122 -3.307) 5.511 16.687 ( 3.113 -3.122 -3.307) 5.511 17.440 ( -0.457 4.610 -1.309) 4.814 17.440 ( 0.457 4.610 -1.309) 4.814 17.697 ( -1.387 -7.766 0.034) 7.889 17.697 ( 1.387 -7.766 0.034) 7.889 18.233 ( -0.845 7.766 0.639) 7.838 18.233 ( 0.845 7.766 0.639) 7.838 18.594 ( -1.642 -10.140 1.398) 10.367 18.594 ( 1.643 -10.140 1.398) 10.367 18.833 ( -0.933 2.338 0.289) 2.533 18.833 ( 0.933 2.338 0.289) 2.533 18.895 ( -1.482 -0.556 -1.646) 2.283 18.895 ( 1.482 -0.556 -1.646) 2.283 19.803 ( -1.582 10.982 0.225) 11.097 19.803 ( 1.582 10.982 0.225) 11.097 20.197 ( -2.075 -9.229 -0.887) 9.500 20.197 ( 2.075 -9.229 -0.887) 9.500 20.783 ( -0.520 1.805 0.306) 1.904 20.783 ( 0.520 1.805 0.306) 1.904 20.869 ( -0.457 -1.913 -0.969) 2.193 20.869 ( 0.457 -1.913 -0.969) 2.193 21.782 ( -0.947 3.650 2.327) 4.431 21.782 ( 0.947 3.650 2.327) 4.431 21.946 ( -1.387 -2.489 -1.730) 3.334 21.946 ( 1.387 -2.489 -1.730) 3.334 ======================= Grid point 187 (67/72) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( 0.000 -12.465 9.567) 15.713 1.850 ( 0.000 12.465 9.567) 15.713 2.012 ( 0.000 -17.211 15.092) 22.891 2.012 ( 0.000 17.211 15.092) 22.891 2.283 ( 0.000 -5.236 -10.767) 11.972 2.283 ( 0.000 5.236 -10.767) 11.972 2.394 ( 0.000 -9.021 -10.135) 13.568 2.394 ( 0.000 9.021 -10.135) 13.568 2.947 ( 0.000 -5.420 3.655) 6.537 2.947 ( 0.000 5.420 3.655) 6.537 3.264 ( 0.000 -4.570 6.522) 7.963 3.264 ( 0.000 4.570 6.522) 7.963 3.386 ( 0.000 -6.759 -1.835) 7.004 3.386 ( 0.000 6.759 -1.835) 7.004 3.469 ( 0.000 -11.552 9.122) 14.720 3.469 ( 0.000 11.552 9.122) 14.720 3.604 ( 0.000 -5.069 2.620) 5.706 3.604 ( 0.000 5.069 2.620) 5.706 3.849 ( 0.000 -9.506 -9.671) 13.560 3.849 ( 0.000 9.506 -9.671) 13.560 4.042 ( 0.000 -6.451 -9.363) 11.370 4.042 ( 0.000 6.451 -9.363) 11.370 4.238 ( 0.000 -1.197 -2.114) 2.430 4.238 ( 0.000 1.197 -2.114) 2.430 4.851 ( 0.000 -4.459 7.623) 8.831 4.851 ( 0.000 4.459 7.623) 8.831 5.074 ( 0.000 -3.781 -9.753) 10.460 5.074 ( 0.000 3.781 -9.753) 10.460 5.494 ( 0.000 -1.108 1.832) 2.141 5.494 ( 0.000 1.108 1.832) 2.141 5.624 ( 0.000 -2.308 -0.685) 2.408 5.624 ( 0.000 2.308 -0.685) 2.408 5.664 ( 0.000 -3.791 2.482) 4.531 5.664 ( 0.000 3.791 2.482) 4.531 5.848 ( 0.000 -4.777 -3.514) 5.931 5.848 ( 0.000 4.777 -3.514) 5.931 6.232 ( 0.000 -2.619 4.494) 5.201 6.232 ( 0.000 2.619 4.494) 5.201 6.411 ( 0.000 -2.364 0.109) 2.366 6.411 ( 0.000 2.364 0.109) 2.366 7.394 ( 0.000 -0.619 0.458) 0.770 7.394 ( 0.000 0.619 0.458) 0.770 7.739 ( 0.000 -1.147 0.131) 1.154 7.739 ( 0.000 1.147 0.131) 1.154 7.840 ( 0.000 -1.347 -0.167) 1.358 7.840 ( 0.000 1.347 -0.167) 1.358 8.139 ( 0.000 -1.307 0.342) 1.351 8.139 ( 0.000 1.307 0.342) 1.351 8.760 ( 0.000 -7.885 5.302) 9.502 8.760 ( 0.000 7.885 5.302) 9.502 8.885 ( 0.000 -5.528 -6.547) 8.569 8.885 ( 0.000 5.528 -6.547) 8.569 9.631 ( 0.000 -2.309 2.660) 3.522 9.631 ( 0.000 2.309 2.660) 3.522 9.672 ( 0.000 -2.410 -1.170) 2.679 9.672 ( 0.000 2.410 -1.170) 2.679 9.993 ( 0.000 -1.626 -0.999) 1.908 9.993 ( 0.000 1.626 -0.999) 1.908 10.129 ( 0.000 -0.894 -0.864) 1.243 10.129 ( 0.000 0.894 -0.864) 1.243 10.938 ( 0.000 -2.182 -0.064) 2.183 10.938 ( 0.000 2.182 -0.064) 2.183 11.066 ( 0.000 -3.551 -1.091) 3.715 11.066 ( 0.000 3.551 -1.091) 3.715 12.378 ( 0.000 -1.330 3.042) 3.320 12.378 ( 0.000 1.330 3.042) 3.320 12.600 ( 0.000 -0.949 1.170) 1.507 12.600 ( 0.000 0.949 1.170) 1.507 13.157 ( 0.000 -2.192 3.932) 4.502 13.157 ( 0.000 2.192 3.932) 4.502 13.642 ( 0.000 -2.171 -6.123) 6.496 13.642 ( 0.000 2.171 -6.123) 6.496 14.579 ( 0.000 -4.814 7.918) 9.267 14.579 ( 0.000 4.814 7.918) 9.267 14.785 ( 0.000 -3.124 -4.143) 5.189 14.785 ( 0.000 3.124 -4.143) 5.189 15.036 ( 0.000 -2.014 -1.021) 2.258 15.036 ( 0.000 2.014 -1.021) 2.258 15.749 ( 0.000 -0.848 -1.821) 2.009 15.749 ( 0.000 0.848 -1.821) 2.009 16.264 ( 0.000 -4.111 1.896) 4.527 16.264 ( 0.000 4.111 1.896) 4.527 16.434 ( 0.000 -3.648 -1.555) 3.965 16.434 ( 0.000 3.648 -1.555) 3.965 17.120 ( 0.000 -0.430 0.141) 0.453 17.120 ( 0.000 0.430 0.141) 0.453 17.460 ( 0.000 -0.233 -0.074) 0.244 17.460 ( 0.000 0.233 -0.074) 0.244 18.096 ( 0.000 -2.472 2.083) 3.233 18.096 ( 0.000 2.472 2.083) 3.233 18.501 ( 0.000 -2.226 -2.004) 2.995 18.501 ( 0.000 2.226 -2.004) 2.995 19.015 ( 0.000 -1.652 1.539) 2.258 19.015 ( 0.000 1.652 1.539) 2.258 19.102 ( 0.000 -0.272 -0.787) 0.833 19.102 ( 0.000 0.272 -0.787) 0.833 19.844 ( 0.000 -9.587 7.236) 12.011 19.844 ( 0.000 9.587 7.236) 12.011 20.030 ( 0.000 -8.840 -8.376) 12.178 20.030 ( 0.000 8.840 -8.376) 12.178 20.846 ( 0.000 -3.996 3.531) 5.332 20.846 ( 0.000 3.996 3.531) 5.332 20.957 ( 0.000 -2.060 -6.230) 6.562 20.957 ( 0.000 2.060 -6.230) 6.562 21.702 ( 0.000 -0.455 1.333) 1.409 21.702 ( 0.000 0.455 1.333) 1.409 22.260 ( 0.000 -1.292 0.467) 1.374 22.260 ( 0.000 1.292 0.467) 1.374 ======================= Grid point 189 (68/72) ======================= q-point: ( 0.10 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( 6.153 -11.630 10.167) 16.628 1.919 ( 6.153 11.630 10.167) 16.628 2.038 ( 2.450 -12.690 14.559) 19.469 2.038 ( 2.450 12.690 14.559) 19.469 2.279 ( -0.443 -9.280 -9.638) 13.387 2.279 ( -0.443 9.280 -9.638) 13.387 2.412 ( 3.208 -12.384 -11.971) 17.521 2.412 ( 3.208 12.384 -11.971) 17.521 2.963 ( 0.905 -3.290 2.711) 4.358 2.963 ( 0.905 3.290 2.711) 4.358 3.224 ( -3.259 -4.651 5.952) 8.227 3.224 ( -3.259 4.651 5.952) 8.227 3.356 ( -2.572 -4.952 -2.785) 6.237 3.356 ( -2.572 4.952 -2.785) 6.237 3.519 ( 1.850 -4.820 1.392) 5.347 3.519 ( 1.850 4.820 1.392) 5.347 3.615 ( 2.764 -10.631 9.897) 14.785 3.615 ( 2.764 10.631 9.897) 14.785 3.855 ( -0.339 -6.419 -5.604) 8.527 3.855 ( -0.339 6.419 -5.604) 8.527 4.029 ( -0.269 -5.856 -7.662) 9.647 4.029 ( -0.269 5.856 -7.662) 9.647 4.267 ( 3.470 -4.141 -4.951) 7.328 4.267 ( 3.470 4.141 -4.951) 7.328 4.831 ( -2.307 -5.005 5.495) 7.783 4.831 ( -2.307 5.005 5.495) 7.783 5.060 ( -1.293 -3.804 -7.009) 8.079 5.060 ( -1.293 3.804 -7.009) 8.079 5.511 ( 2.332 -1.195 0.795) 2.739 5.511 ( 2.332 1.195 0.795) 2.739 5.634 ( 1.375 -1.259 0.461) 1.921 5.634 ( 1.375 1.259 0.461) 1.921 5.725 ( 4.537 -4.600 3.428) 7.314 5.725 ( 4.537 4.600 3.428) 7.314 5.853 ( 0.789 -5.442 -4.365) 7.021 5.853 ( 0.789 5.442 -4.365) 7.021 6.227 ( -0.687 -2.755 3.820) 4.759 6.227 ( -0.687 2.755 3.820) 4.759 6.350 ( -5.917 -2.265 -0.308) 6.343 6.350 ( -5.917 2.265 -0.308) 6.343 7.396 ( 0.353 -1.322 0.909) 1.643 7.396 ( 0.353 1.322 0.909) 1.643 7.701 ( -2.767 -1.023 -0.552) 3.001 7.701 ( -2.767 1.023 -0.552) 3.001 7.877 ( 2.646 -1.249 0.456) 2.961 7.877 ( 2.646 1.249 0.456) 2.961 8.135 ( -0.531 -1.905 0.117) 1.981 8.135 ( -0.531 1.905 0.117) 1.981 8.725 ( -3.511 -8.010 4.625) 9.893 8.725 ( -3.511 8.010 4.625) 9.893 8.834 ( -4.750 -6.188 -5.070) 9.304 8.834 ( -4.750 6.188 -5.070) 9.304 9.621 ( 0.028 -2.486 3.802) 4.542 9.621 ( 0.028 2.486 3.802) 4.542 9.695 ( 1.526 -1.737 -3.353) 4.073 9.695 ( 1.526 1.737 -3.353) 4.073 10.032 ( 3.924 -1.634 -1.195) 4.415 10.032 ( 3.924 1.634 -1.195) 4.415 10.164 ( 3.227 -1.189 -0.409) 3.463 10.164 ( 3.227 1.189 -0.409) 3.463 11.008 ( 6.910 -1.448 0.149) 7.061 11.008 ( 6.910 1.448 0.149) 7.061 11.139 ( 6.988 -2.592 -1.412) 7.585 11.139 ( 6.988 2.592 -1.412) 7.585 12.383 ( 0.563 -1.152 3.378) 3.613 12.383 ( 0.563 1.152 3.378) 3.613 12.602 ( 0.258 -0.774 0.813) 1.152 12.602 ( 0.258 0.774 0.813) 1.152 13.196 ( 3.868 -2.673 4.210) 6.311 13.196 ( 3.868 2.673 4.210) 6.311 13.579 ( -6.224 -2.130 -6.136) 8.996 13.579 ( -6.224 2.130 -6.136) 8.996 14.525 ( -5.947 -4.290 8.099) 10.926 14.525 ( -5.947 4.290 8.099) 10.926 14.668 ( -6.819 -3.733 -5.746) 9.667 14.668 ( -6.819 3.733 -5.746) 9.667 15.120 ( 4.500 -1.088 1.035) 4.744 15.120 ( 4.500 1.088 1.035) 4.744 15.697 ( -5.787 -1.728 -2.571) 6.564 15.697 ( -5.787 1.728 -2.571) 6.564 16.249 ( -0.672 -2.821 1.141) 3.116 16.249 ( -0.672 2.821 1.141) 3.116 16.489 ( 5.291 -2.551 -0.703) 5.915 16.489 ( 5.291 2.551 -0.703) 5.915 17.174 ( 5.140 -0.890 0.420) 5.234 17.174 ( 5.140 0.890 0.420) 5.234 17.487 ( 2.484 -1.186 -0.814) 2.871 17.487 ( 2.484 1.186 -0.814) 2.871 18.111 ( 1.632 -2.619 1.664) 3.506 18.111 ( 1.632 2.619 1.664) 3.506 18.510 ( 0.483 -2.298 -1.453) 2.762 18.510 ( 0.483 2.298 -1.453) 2.762 18.966 ( -4.068 -2.115 1.418) 4.799 18.966 ( -4.068 2.115 1.418) 4.799 19.071 ( -2.970 -2.005 -0.709) 3.653 19.071 ( -2.970 2.005 -0.709) 3.653 19.867 ( 1.756 -7.461 5.884) 9.663 19.867 ( 1.756 7.461 5.884) 9.663 20.056 ( 2.513 -6.789 -6.817) 9.944 20.056 ( 2.513 6.789 -6.817) 9.944 20.845 ( -0.236 -4.304 3.607) 5.621 20.845 ( -0.236 4.304 3.607) 5.621 20.945 ( -1.186 -2.655 -6.099) 6.756 20.945 ( -1.186 2.655 -6.099) 6.756 21.695 ( -0.537 -0.368 1.468) 1.606 21.695 ( -0.537 0.368 1.468) 1.606 22.237 ( -2.355 -1.626 0.107) 2.864 22.237 ( -2.355 1.626 0.107) 2.864 ======================= Grid point 191 (69/72) ======================= q-point: ( 0.20 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( 2.510 -13.458 10.153) 17.044 2.011 ( 2.510 13.458 10.153) 17.044 2.111 ( 5.261 -10.700 7.376) 14.021 2.111 ( 5.261 10.700 7.376) 14.021 2.315 ( 5.029 -7.661 -4.032) 10.011 2.315 ( 5.029 7.661 -4.032) 10.011 2.517 ( 6.906 -8.880 -11.703) 16.233 2.517 ( 6.906 8.880 -11.703) 16.233 2.956 ( -1.873 -1.081 0.985) 2.376 2.956 ( -1.873 1.081 0.985) 2.376 3.160 ( -3.341 -4.070 5.381) 7.528 3.160 ( -3.341 4.070 5.381) 7.528 3.285 ( -4.928 -3.828 -4.815) 7.882 3.285 ( -4.928 3.828 -4.815) 7.882 3.506 ( -2.237 -2.077 -2.237) 3.784 3.506 ( -2.237 2.077 -2.237) 3.784 3.690 ( 2.933 -6.619 7.788) 10.634 3.690 ( 2.933 6.619 7.788) 10.634 3.814 ( -3.126 -1.306 -0.192) 3.393 3.814 ( -3.126 1.306 -0.192) 3.393 4.088 ( 6.969 -7.338 -0.949) 10.164 4.088 ( 6.969 7.338 -0.949) 10.164 4.372 ( 7.045 -5.591 -6.350) 11.010 4.372 ( 7.045 5.591 -6.350) 11.010 4.774 ( -2.960 -4.902 1.359) 5.885 4.774 ( -2.960 4.902 1.359) 5.885 5.027 ( -2.226 -3.280 -2.587) 4.734 5.027 ( -2.226 3.280 -2.587) 4.734 5.559 ( 1.308 -1.307 1.972) 2.703 5.559 ( 1.308 1.307 1.972) 2.703 5.649 ( -0.297 -2.427 -0.300) 2.463 5.649 ( -0.297 2.427 -0.300) 2.463 5.820 ( 5.627 -4.273 2.874) 7.628 5.820 ( 5.627 4.273 2.874) 7.628 5.888 ( 2.748 -4.611 -3.383) 6.345 5.888 ( 2.748 4.611 -3.383) 6.345 6.191 ( -4.393 -4.379 2.213) 6.586 6.191 ( -4.393 4.379 2.213) 6.586 6.228 ( -4.394 -3.660 -1.045) 5.814 6.228 ( -4.394 3.660 -1.045) 5.814 7.415 ( 1.817 -1.949 1.767) 3.197 7.415 ( 1.817 1.949 1.767) 3.197 7.657 ( -1.758 -1.351 -1.206) 2.524 7.657 ( -1.758 1.351 -1.206) 2.524 7.915 ( 0.999 -1.982 1.108) 2.481 7.915 ( 0.999 1.982 1.108) 2.481 8.107 ( -2.892 -2.663 -0.517) 3.965 8.107 ( -2.892 2.663 -0.517) 3.965 8.641 ( -4.656 -6.983 3.896) 9.253 8.641 ( -4.656 6.983 3.896) 9.253 8.735 ( -4.879 -6.018 -3.610) 8.547 8.735 ( -4.879 6.018 -3.610) 8.547 9.639 ( 1.512 -1.843 3.536) 4.265 9.639 ( 1.512 1.843 3.536) 4.265 9.725 ( 1.698 -1.554 -3.716) 4.372 9.725 ( 1.698 1.554 -3.716) 4.372 10.125 ( 5.218 -1.187 -0.688) 5.395 10.125 ( 5.218 1.187 -0.688) 5.395 10.234 ( 3.878 -1.034 -0.852) 4.103 10.234 ( 3.878 1.034 -0.852) 4.103 11.170 ( 9.129 -0.637 0.842) 9.190 11.170 ( 9.129 0.637 0.842) 9.190 11.292 ( 8.027 -1.521 -2.182) 8.456 11.292 ( 8.027 1.521 -2.182) 8.456 12.402 ( 1.467 -0.771 3.886) 4.225 12.402 ( 1.467 0.771 3.886) 4.225 12.611 ( 0.676 -0.300 0.007) 0.739 12.611 ( 0.676 0.300 0.007) 0.739 13.281 ( 3.701 -5.289 5.403) 8.418 13.281 ( 3.701 5.289 5.403) 8.418 13.440 ( -6.610 -3.574 -6.476) 9.920 13.440 ( -6.610 3.574 -6.476) 9.920 14.399 ( -5.578 -1.793 3.430) 6.789 14.399 ( -5.578 1.793 3.430) 6.789 14.572 ( -4.163 -1.744 -2.507) 5.163 14.572 ( -4.163 1.744 -2.507) 5.163 15.156 ( -0.499 -1.547 3.639) 3.986 15.156 ( -0.499 1.547 3.639) 3.986 15.535 ( -10.341 -2.818 -4.631) 11.675 15.535 ( -10.341 2.818 -4.631) 11.675 16.271 ( 3.119 -1.728 1.238) 3.774 16.271 ( 3.119 1.728 1.238) 3.774 16.602 ( 5.668 -2.475 -0.148) 6.186 16.602 ( 5.668 2.475 -0.148) 6.186 17.289 ( 6.394 -2.284 0.964) 6.858 17.289 ( 6.394 2.284 0.964) 6.858 17.536 ( 2.327 -2.746 -2.393) 4.322 17.536 ( 2.327 2.746 -2.393) 4.322 18.162 ( 3.668 -2.967 1.242) 4.879 18.162 ( 3.668 2.967 1.242) 4.879 18.494 ( -2.439 -2.295 -0.511) 3.388 18.494 ( -2.439 2.295 -0.511) 3.388 18.908 ( -1.326 -2.340 0.928) 2.845 18.908 ( -1.326 2.340 0.928) 2.845 19.007 ( -3.382 -2.250 -0.480) 4.090 19.007 ( -3.382 2.250 -0.480) 4.090 19.889 ( 0.453 -5.027 3.184) 5.968 19.889 ( 0.453 5.027 3.184) 5.968 20.112 ( 2.820 -4.747 -3.745) 6.672 20.112 ( 2.820 4.747 -3.745) 6.672 20.829 ( -1.596 -4.130 2.657) 5.164 20.829 ( -1.596 4.130 2.657) 5.164 20.918 ( -1.360 -2.882 -4.650) 5.637 20.918 ( -1.360 2.882 -4.650) 5.637 21.693 ( 0.566 -0.594 1.629) 1.824 21.693 ( 0.566 0.594 1.629) 1.824 22.173 ( -4.217 -1.777 -0.531) 4.607 22.173 ( -4.217 1.777 -0.531) 4.607 ======================= Grid point 193 (70/72) ======================= q-point: ( 0.30 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( 4.353 -6.620 4.728) 9.226 2.068 ( 4.353 6.620 4.728) 9.226 2.197 ( 3.501 -5.904 2.212) 7.212 2.197 ( 3.501 5.904 2.212) 7.212 2.445 ( 7.224 -2.623 3.161) 8.310 2.445 ( 7.224 2.623 3.161) 8.310 2.622 ( 2.248 -2.634 -8.573) 9.246 2.622 ( 2.248 2.634 -8.573) 9.246 2.910 ( -1.807 -1.729 -0.540) 2.559 2.910 ( -1.807 1.729 -0.540) 2.559 3.106 ( -2.396 -4.086 2.691) 5.448 3.106 ( -2.396 4.086 2.691) 5.448 3.185 ( -4.416 -1.950 -2.823) 5.592 3.185 ( -4.416 1.950 -2.823) 5.592 3.440 ( -4.055 -3.039 -3.568) 6.197 3.440 ( -4.055 3.039 -3.568) 6.197 3.700 ( -1.206 -4.251 3.864) 5.870 3.700 ( -1.206 4.251 3.864) 5.870 3.783 ( -0.503 -3.006 -0.584) 3.103 3.783 ( -0.503 3.006 -0.584) 3.103 4.263 ( 10.138 -8.867 5.391) 14.507 4.263 ( 10.138 8.867 5.391) 14.507 4.503 ( 5.818 -5.067 -3.022) 8.286 4.503 ( 5.818 5.067 -3.022) 8.286 4.738 ( -0.538 -4.965 -2.187) 5.451 4.738 ( -0.538 4.965 -2.187) 5.451 4.972 ( -3.581 -3.541 -0.873) 5.111 4.972 ( -3.581 3.541 -0.873) 5.111 5.540 ( -2.501 -0.927 3.428) 4.344 5.540 ( -2.501 0.927 3.428) 4.344 5.618 ( -2.964 -3.639 -2.145) 5.161 5.618 ( -2.964 3.639 -2.145) 5.161 5.913 ( 2.743 -1.961 1.404) 3.653 5.913 ( 2.743 1.961 1.404) 3.653 5.946 ( 3.018 -3.429 -1.462) 4.796 5.946 ( 3.018 3.429 -1.462) 4.796 6.119 ( -0.848 -1.964 -0.139) 2.144 6.119 ( -0.848 1.964 -0.139) 2.144 6.187 ( -0.920 -1.476 -0.093) 1.742 6.187 ( -0.920 1.476 -0.093) 1.742 7.468 ( 3.785 -2.305 2.403) 5.041 7.468 ( 3.785 2.305 2.403) 5.041 7.636 ( -0.416 -1.813 -1.492) 2.384 7.636 ( -0.416 1.813 -1.492) 2.384 7.907 ( -1.888 -3.241 1.914) 4.211 7.907 ( -1.888 3.241 1.914) 4.211 8.015 ( -6.387 -3.235 -1.450) 7.305 8.015 ( -6.387 3.235 -1.450) 7.305 8.572 ( -2.217 -5.652 3.041) 6.790 8.572 ( -2.217 5.652 3.041) 6.790 8.666 ( -2.377 -4.652 -2.845) 5.949 8.666 ( -2.377 4.652 -2.845) 5.949 9.669 ( 1.619 -1.428 1.967) 2.921 9.669 ( 1.619 1.428 1.967) 2.921 9.755 ( 1.132 -1.678 -2.073) 2.897 9.755 ( 1.132 1.678 -2.073) 2.897 10.214 ( 3.981 -1.004 1.296) 4.305 10.214 ( 3.981 1.004 1.296) 4.305 10.309 ( 3.778 -0.600 -2.736) 4.703 10.309 ( 3.778 0.600 -2.736) 4.703 11.324 ( 6.483 -1.162 1.714) 6.805 11.324 ( 6.483 1.162 1.714) 6.805 11.418 ( 4.923 -1.586 -2.811) 5.887 11.418 ( 4.923 1.586 -2.811) 5.887 12.439 ( 2.447 -0.499 3.746) 4.502 12.439 ( 2.447 0.499 3.746) 4.502 12.623 ( 0.285 -0.933 -0.659) 1.177 12.623 ( 0.285 0.933 -0.659) 1.177 13.264 ( -2.983 -4.212 0.600) 5.196 13.264 ( -2.983 4.212 0.600) 5.196 13.416 ( 1.828 -3.709 -0.690) 4.192 13.416 ( 1.828 3.709 -0.690) 4.192 14.333 ( -1.481 -1.103 1.288) 2.251 14.333 ( -1.481 1.103 1.288) 2.251 14.499 ( -3.288 -1.243 -1.191) 3.711 14.499 ( -3.288 1.243 -1.191) 3.711 15.118 ( -3.006 -2.399 5.549) 6.751 15.118 ( -3.006 2.399 5.549) 6.751 15.339 ( -9.472 -3.023 -6.523) 11.892 15.339 ( -9.472 3.023 -6.523) 11.892 16.356 ( 5.450 -1.644 2.076) 6.060 16.356 ( 5.450 1.644 2.076) 6.060 16.679 ( 1.997 -3.112 -0.642) 3.753 16.679 ( 1.997 3.112 -0.642) 3.753 17.405 ( 5.564 -3.430 1.344) 6.673 17.405 ( 5.564 3.430 1.344) 6.673 17.570 ( 1.137 -4.312 -3.358) 5.582 17.570 ( 1.137 4.312 -3.358) 5.582 18.246 ( 5.010 -3.148 1.355) 6.070 18.246 ( 5.010 3.148 1.355) 6.070 18.438 ( -2.581 -2.616 -0.199) 3.680 18.438 ( -2.581 2.616 -0.199) 3.680 18.900 ( -0.548 -2.617 1.585) 3.108 18.900 ( -0.548 2.617 1.585) 3.108 18.951 ( -2.300 -1.669 -1.434) 3.183 18.951 ( -2.300 1.669 -1.434) 3.183 19.896 ( 0.759 -4.417 1.520) 4.732 19.896 ( 0.759 4.417 1.520) 4.732 20.140 ( -0.380 -4.490 -1.846) 4.870 20.140 ( -0.380 4.490 -1.846) 4.870 20.794 ( -1.455 -2.358 0.639) 2.843 20.794 ( -1.455 2.358 0.639) 2.843 20.896 ( -1.141 -1.289 -2.129) 2.738 20.896 ( -1.141 1.289 -2.129) 2.738 21.720 ( 2.269 -0.840 1.728) 2.973 21.720 ( 2.269 0.840 1.728) 2.973 22.082 ( -5.264 -1.574 -0.991) 5.583 22.082 ( -5.264 1.574 -0.991) 5.583 ======================= Grid point 195 (71/72) ======================= q-point: ( 0.40 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( 4.097 -2.217 3.751) 5.981 2.161 ( 4.097 2.217 3.751) 5.981 2.261 ( 3.754 -3.032 -1.174) 4.966 2.261 ( 3.754 3.032 -1.174) 4.966 2.536 ( 1.383 -2.196 1.516) 3.005 2.536 ( 1.383 2.196 1.516) 3.005 2.604 ( -1.876 -3.452 -4.121) 5.694 2.604 ( -1.876 3.452 -4.121) 5.694 2.891 ( -0.759 -2.361 -0.301) 2.498 2.891 ( -0.759 2.361 -0.301) 2.498 3.007 ( -6.955 -1.938 -0.788) 7.263 3.007 ( -6.955 1.938 -0.788) 7.263 3.216 ( 6.640 -3.344 2.898) 7.979 3.216 ( 6.640 3.344 2.898) 7.979 3.398 ( -0.125 -3.248 -4.141) 5.264 3.398 ( -0.125 3.248 -4.141) 5.264 3.664 ( -2.065 -4.554 2.000) 5.385 3.664 ( -2.065 4.554 2.000) 5.385 3.752 ( -3.360 -2.885 -1.746) 4.760 3.752 ( -3.360 2.885 -1.746) 4.760 4.434 ( 7.127 -6.062 6.265) 11.260 4.434 ( 7.127 6.062 6.265) 11.260 4.571 ( 1.210 -2.391 0.954) 2.845 4.571 ( 1.210 2.391 0.954) 2.845 4.757 ( 2.343 -6.428 -4.161) 8.008 4.757 ( 2.343 6.428 -4.161) 8.008 4.898 ( -3.953 -3.427 -0.811) 5.294 4.898 ( -3.953 3.427 -0.811) 5.294 5.501 ( -0.915 -1.844 1.839) 2.760 5.501 ( -0.915 1.844 1.839) 2.760 5.556 ( -3.055 -2.651 -1.290) 4.246 5.556 ( -3.055 2.651 -1.290) 4.246 5.927 ( -0.251 -3.367 1.402) 3.656 5.927 ( -0.251 3.367 1.402) 3.656 5.973 ( -0.126 -4.299 -3.016) 5.253 5.973 ( -0.126 4.299 -3.016) 5.253 6.152 ( 2.985 -1.527 0.525) 3.394 6.152 ( 2.985 1.527 0.525) 3.394 6.191 ( 0.860 -1.608 0.360) 1.858 6.191 ( 0.860 1.608 0.360) 1.858 7.552 ( 4.604 -3.123 2.727) 6.196 7.552 ( 4.604 3.123 2.727) 6.196 7.638 ( 0.428 -3.019 -1.107) 3.244 7.638 ( 0.428 3.019 -1.107) 3.244 7.846 ( -3.947 -4.654 2.225) 6.496 7.846 ( -3.947 4.654 2.225) 6.496 7.893 ( -5.648 -3.823 -1.990) 7.105 7.893 ( -5.648 3.823 -1.990) 7.105 8.559 ( 0.638 -4.033 1.562) 4.372 8.559 ( 0.638 4.033 1.562) 4.372 8.632 ( -1.485 -3.219 -1.934) 4.038 8.632 ( -1.485 3.219 -1.934) 4.038 9.703 ( 1.914 -1.222 0.957) 2.464 9.703 ( 1.914 1.222 0.957) 2.464 9.760 ( -0.517 -1.539 -0.910) 1.861 9.760 ( -0.517 1.539 -0.910) 1.861 10.273 ( 2.159 -0.834 3.142) 3.902 10.273 ( 2.159 0.834 3.142) 3.902 10.368 ( 2.210 -0.244 -4.494) 5.014 10.368 ( 2.210 0.244 -4.494) 5.014 11.412 ( 2.825 -1.216 2.281) 3.829 11.412 ( 2.825 1.216 2.281) 3.829 11.479 ( 1.691 -1.413 -2.972) 3.700 11.479 ( 1.691 1.413 -2.972) 3.700 12.491 ( 2.786 -0.632 3.146) 4.250 12.491 ( 2.786 0.632 3.146) 4.250 12.611 ( -1.562 -1.561 -0.957) 2.407 12.611 ( -1.562 1.561 -0.957) 2.407 13.260 ( 2.702 -1.927 -0.297) 3.332 13.260 ( 2.702 1.927 -0.297) 3.332 13.416 ( -2.210 -2.069 0.641) 3.095 13.416 ( -2.210 2.069 0.641) 3.095 14.335 ( 1.440 -0.673 1.325) 2.069 14.335 ( 1.440 0.673 1.325) 2.069 14.447 ( -2.346 -0.905 -1.103) 2.746 14.447 ( -2.346 0.905 -1.103) 2.746 15.062 ( -2.273 -2.096 5.180) 6.033 15.062 ( -2.273 2.096 5.180) 6.033 15.193 ( -5.608 -2.169 -6.315) 8.720 15.193 ( -5.608 2.169 -6.315) 8.720 16.463 ( 5.315 -1.698 3.529) 6.602 16.463 ( 5.315 1.698 3.529) 6.602 16.678 ( -1.694 -2.851 -2.204) 3.981 16.678 ( -1.694 2.851 -2.204) 3.981 17.496 ( 3.918 -4.257 0.641) 5.821 17.496 ( 3.918 4.257 0.641) 5.821 17.578 ( -0.383 -5.180 -2.638) 5.826 17.578 ( -0.383 5.180 -2.638) 5.826 18.339 ( 4.195 -4.284 1.772) 6.253 18.339 ( 4.195 4.284 1.772) 6.253 18.414 ( -0.129 -4.667 -0.227) 4.674 18.414 ( -0.129 4.667 -0.227) 4.674 18.877 ( -1.237 -1.719 1.411) 2.544 18.877 ( -1.237 1.719 1.411) 2.544 18.913 ( -2.088 -1.367 -1.864) 3.114 18.913 ( -2.088 1.367 -1.864) 3.114 19.931 ( 2.950 -4.252 0.732) 5.226 19.931 ( 2.950 4.252 0.732) 5.226 20.096 ( -3.885 -4.551 -0.998) 6.066 20.096 ( -3.885 4.551 -0.998) 6.066 20.788 ( 0.838 -1.049 0.278) 1.371 20.788 ( 0.838 1.049 0.278) 1.371 20.869 ( -1.668 -0.308 -1.357) 2.172 20.869 ( -1.668 0.308 -1.357) 2.172 21.776 ( 3.431 -0.796 2.170) 4.137 21.776 ( 3.431 0.796 2.170) 4.137 21.980 ( -5.182 -1.227 -1.583) 5.555 21.980 ( -5.182 1.227 -1.583) 5.555 ======================= Grid point 197 (72/72) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( 0.000 -0.000 5.459) 5.459 2.197 ( 0.000 0.000 5.459) 5.459 2.311 ( 0.000 -0.000 -4.344) 4.344 2.311 ( 0.000 0.000 -4.344) 4.344 2.558 ( -0.000 -0.000 -1.981) 1.981 2.558 ( 0.000 0.000 -1.981) 1.981 2.562 ( -0.000 -0.000 -1.545) 1.545 2.562 ( 0.000 0.000 -1.545) 1.545 2.898 ( -0.000 -0.000 0.574) 0.574 2.898 ( -0.000 0.000 0.574) 0.574 2.912 ( 0.000 -0.000 -0.222) 0.222 2.912 ( 0.000 0.000 -0.222) 0.222 3.319 ( 0.000 0.000 5.125) 5.125 3.319 ( 0.000 0.000 5.125) 5.125 3.394 ( 0.000 0.000 -1.788) 1.788 3.394 ( 0.000 0.000 -1.788) 1.788 3.659 ( -0.000 0.000 -0.875) 0.875 3.659 ( 0.000 0.000 -0.875) 0.875 3.682 ( -0.000 -0.000 -2.920) 2.920 3.682 ( 0.000 -0.000 -2.920) 2.920 4.516 ( 0.000 -0.000 5.240) 5.240 4.516 ( 0.000 0.000 5.240) 5.240 4.566 ( -0.000 0.000 1.703) 1.703 4.566 ( 0.000 0.000 1.703) 1.703 4.805 ( 0.000 -0.000 -0.876) 0.876 4.805 ( 0.000 0.000 -0.876) 0.876 4.837 ( -0.000 -0.000 -3.157) 3.157 4.837 ( -0.000 0.000 -3.157) 3.157 5.508 ( 0.000 -0.000 0.368) 0.368 5.508 ( 0.000 0.000 0.368) 0.368 5.513 ( -0.000 -0.000 -0.090) 0.090 5.513 ( -0.000 0.000 -0.090) 0.090 5.924 ( 0.000 -0.000 1.004) 1.004 5.924 ( 0.000 0.000 1.004) 1.004 5.967 ( 0.000 0.000 -3.363) 3.363 5.967 ( 0.000 0.000 -3.363) 3.363 6.192 ( -0.000 -0.000 0.792) 0.792 6.192 ( 0.000 0.000 0.792) 0.792 6.195 ( 0.000 -0.000 0.589) 0.589 6.195 ( 0.000 0.000 0.589) 0.589 7.612 ( -0.000 -0.000 2.549) 2.549 7.612 ( 0.000 -0.000 2.549) 2.549 7.641 ( 0.000 0.000 0.192) 0.192 7.641 ( 0.000 0.000 0.192) 0.192 7.803 ( 0.000 -0.000 0.972) 0.972 7.803 ( 0.000 0.000 0.972) 0.972 7.826 ( 0.000 -0.000 -1.601) 1.601 7.826 ( 0.000 0.000 -1.601) 1.601 8.576 ( 0.000 -0.000 1.321) 1.321 8.576 ( 0.000 0.000 1.321) 1.321 8.610 ( 0.000 -0.000 -1.983) 1.983 8.610 ( 0.000 0.000 -1.983) 1.983 9.736 ( 0.000 -0.000 0.310) 0.310 9.736 ( 0.000 0.000 0.310) 0.310 9.740 ( -0.000 -0.000 -0.167) 0.167 9.740 ( 0.000 0.000 -0.167) 0.167 10.294 ( 0.000 0.000 3.810) 3.810 10.294 ( 0.000 0.000 3.810) 3.810 10.389 ( 0.000 -0.000 -5.173) 5.173 10.389 ( 0.000 0.000 -5.173) 5.173 11.438 ( 0.000 -0.000 2.494) 2.494 11.438 ( 0.000 0.000 2.494) 2.494 11.493 ( 0.000 -0.000 -2.994) 2.994 11.493 ( 0.000 0.000 -2.994) 2.994 12.529 ( -0.000 0.000 3.615) 3.615 12.529 ( 0.000 0.000 3.615) 3.615 12.583 ( 0.000 -0.000 -1.784) 1.784 12.583 ( 0.000 0.000 -1.784) 1.784 13.335 ( -0.000 -0.000 0.863) 0.863 13.335 ( -0.000 0.000 0.863) 0.863 13.349 ( 0.000 -0.000 -0.514) 0.514 13.349 ( 0.000 0.000 -0.514) 0.514 14.363 ( 0.000 0.000 2.703) 2.703 14.363 ( 0.000 0.000 2.703) 2.703 14.414 ( -0.000 0.000 -2.106) 2.106 14.414 ( 0.000 0.000 -2.106) 2.106 15.041 ( 0.000 0.000 3.848) 3.848 15.041 ( 0.000 0.000 3.848) 3.848 15.136 ( 0.000 0.000 -5.185) 5.185 15.136 ( 0.000 0.000 -5.185) 5.185 16.528 ( -0.000 -0.000 6.277) 6.277 16.528 ( 0.000 0.000 6.277) 6.277 16.647 ( 0.000 0.000 -5.053) 5.053 16.647 ( 0.000 0.000 -5.053) 5.053 17.550 ( 0.000 -0.000 -0.689) 0.689 17.550 ( -0.000 0.000 -0.689) 0.689 17.557 ( -0.000 -0.000 -1.245) 1.245 17.557 ( 0.000 0.000 -1.245) 1.245 18.384 ( -0.000 -0.000 2.518) 2.518 18.384 ( 0.000 0.000 2.518) 2.518 18.416 ( 0.000 -0.000 -0.591) 0.591 18.416 ( 0.000 0.000 -0.591) 0.591 18.873 ( 0.000 -0.000 -0.295) 0.295 18.873 ( 0.000 0.000 -0.295) 0.295 18.878 ( -0.000 -0.000 -0.686) 0.686 18.878 ( 0.000 0.000 -0.686) 0.686 19.993 ( -0.000 0.000 1.293) 1.293 19.993 ( 0.000 0.000 1.293) 1.293 20.023 ( -0.000 -0.000 -1.558) 1.558 20.023 ( 0.000 -0.000 -1.558) 1.558 20.807 ( 0.000 -0.000 1.311) 1.311 20.807 ( 0.000 0.000 1.311) 1.311 20.844 ( -0.000 0.000 -2.209) 2.209 20.844 ( 0.000 0.000 -2.209) 2.209 21.828 ( 0.000 -0.000 4.244) 4.244 21.828 ( 0.000 0.000 4.244) 4.244 21.911 ( 0.000 -0.000 -3.693) 3.693 21.911 ( 0.000 0.000 -3.693) 3.693 =================== 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 3/32400 10.0 2014.706 2688.011 1829.604 0.000 0.000 0.000 3/32400 20.0 360.032 368.318 364.155 0.000 0.000 0.000 3/32400 30.0 130.553 128.843 133.666 0.000 0.000 0.000 3/32400 40.0 67.760 65.914 69.357 0.000 0.000 0.000 3/32400 50.0 42.797 41.313 43.688 0.000 0.000 0.000 3/32400 60.0 30.374 29.206 30.920 0.000 0.000 0.000 3/32400 70.0 23.211 22.277 23.569 0.000 0.000 0.000 3/32400 80.0 18.644 17.882 18.890 0.000 0.000 0.000 3/32400 90.0 15.515 14.880 15.688 0.000 0.000 0.000 3/32400 100.0 13.255 12.716 13.378 0.000 0.000 0.000 3/32400 110.0 11.554 11.089 11.642 0.000 0.000 0.000 3/32400 120.0 10.231 9.825 10.293 0.000 0.000 0.000 3/32400 130.0 9.175 8.816 9.219 0.000 0.000 0.000 3/32400 140.0 8.314 7.995 8.344 0.000 0.000 0.000 3/32400 150.0 7.599 7.313 7.619 0.000 0.000 0.000 3/32400 160.0 6.997 6.739 7.009 0.000 0.000 0.000 3/32400 170.0 6.483 6.250 6.489 0.000 0.000 0.000 3/32400 180.0 6.039 5.827 6.041 0.000 0.000 0.000 3/32400 190.0 5.652 5.459 5.650 0.000 0.000 0.000 3/32400 200.0 5.313 5.135 5.308 0.000 0.000 0.000 3/32400 210.0 5.012 4.848 5.005 0.000 0.000 0.000 3/32400 220.0 4.743 4.593 4.735 0.000 0.000 0.000 3/32400 230.0 4.503 4.363 4.493 0.000 0.000 0.000 3/32400 240.0 4.286 4.156 4.275 0.000 0.000 0.000 3/32400 250.0 4.089 3.969 4.078 0.000 0.000 0.000 3/32400 260.0 3.910 3.798 3.898 0.000 0.000 0.000 3/32400 270.0 3.746 3.641 3.734 0.000 0.000 0.000 3/32400 280.0 3.595 3.497 3.583 0.000 0.000 0.000 3/32400 290.0 3.457 3.365 3.444 0.000 0.000 0.000 3/32400 300.0 3.329 3.242 3.316 0.000 0.000 0.000 3/32400 310.0 3.210 3.128 3.198 0.000 0.000 0.000 3/32400 320.0 3.100 3.023 3.087 0.000 0.000 0.000 3/32400 330.0 2.997 2.924 2.984 0.000 0.000 0.000 3/32400 340.0 2.901 2.832 2.888 0.000 0.000 0.000 3/32400 350.0 2.811 2.745 2.798 0.000 0.000 0.000 3/32400 360.0 2.726 2.664 2.714 0.000 0.000 0.000 3/32400 370.0 2.647 2.588 2.635 0.000 0.000 0.000 3/32400 380.0 2.572 2.516 2.560 0.000 0.000 0.000 3/32400 390.0 2.501 2.447 2.490 0.000 0.000 0.000 3/32400 400.0 2.434 2.383 2.423 0.000 0.000 0.000 3/32400 410.0 2.371 2.322 2.360 0.000 0.000 0.000 3/32400 420.0 2.311 2.264 2.300 0.000 0.000 0.000 3/32400 430.0 2.254 2.209 2.243 0.000 0.000 0.000 3/32400 440.0 2.200 2.157 2.189 0.000 0.000 0.000 3/32400 450.0 2.148 2.107 2.138 0.000 0.000 0.000 3/32400 460.0 2.099 2.059 2.089 0.000 0.000 0.000 3/32400 470.0 2.052 2.014 2.042 0.000 0.000 0.000 3/32400 480.0 2.008 1.970 1.997 0.000 0.000 0.000 3/32400 490.0 1.965 1.929 1.955 0.000 0.000 0.000 3/32400 500.0 1.924 1.889 1.914 0.000 0.000 0.000 3/32400 510.0 1.884 1.851 1.874 0.000 0.000 0.000 3/32400 520.0 1.846 1.814 1.837 0.000 0.000 0.000 3/32400 530.0 1.810 1.779 1.801 0.000 0.000 0.000 3/32400 540.0 1.775 1.745 1.766 0.000 0.000 0.000 3/32400 550.0 1.742 1.712 1.733 0.000 0.000 0.000 3/32400 560.0 1.710 1.681 1.701 0.000 0.000 0.000 3/32400 570.0 1.679 1.651 1.670 0.000 0.000 0.000 3/32400 580.0 1.649 1.622 1.640 0.000 0.000 0.000 3/32400 590.0 1.620 1.593 1.611 0.000 0.000 0.000 3/32400 600.0 1.592 1.566 1.583 0.000 0.000 0.000 3/32400 610.0 1.565 1.540 1.557 0.000 0.000 0.000 3/32400 620.0 1.539 1.515 1.531 0.000 0.000 0.000 3/32400 630.0 1.514 1.490 1.506 0.000 0.000 0.000 3/32400 640.0 1.490 1.466 1.482 0.000 0.000 0.000 3/32400 650.0 1.466 1.443 1.458 0.000 0.000 0.000 3/32400 660.0 1.443 1.421 1.435 0.000 0.000 0.000 3/32400 670.0 1.421 1.400 1.413 0.000 0.000 0.000 3/32400 680.0 1.400 1.379 1.392 0.000 0.000 0.000 3/32400 690.0 1.379 1.358 1.371 0.000 0.000 0.000 3/32400 700.0 1.359 1.339 1.351 0.000 0.000 0.000 3/32400 710.0 1.339 1.319 1.332 0.000 0.000 0.000 3/32400 720.0 1.320 1.301 1.313 0.000 0.000 0.000 3/32400 730.0 1.302 1.283 1.295 0.000 0.000 0.000 3/32400 740.0 1.284 1.265 1.277 0.000 0.000 0.000 3/32400 750.0 1.266 1.248 1.259 0.000 0.000 0.000 3/32400 760.0 1.249 1.231 1.242 0.000 0.000 0.000 3/32400 770.0 1.233 1.215 1.226 0.000 0.000 0.000 3/32400 780.0 1.217 1.199 1.210 0.000 0.000 0.000 3/32400 790.0 1.201 1.184 1.194 0.000 0.000 0.000 3/32400 800.0 1.186 1.169 1.179 0.000 0.000 0.000 3/32400 810.0 1.171 1.155 1.164 0.000 0.000 0.000 3/32400 820.0 1.156 1.140 1.150 0.000 0.000 0.000 3/32400 830.0 1.142 1.126 1.136 0.000 0.000 0.000 3/32400 840.0 1.128 1.113 1.122 0.000 0.000 0.000 3/32400 850.0 1.115 1.100 1.109 0.000 0.000 0.000 3/32400 860.0 1.102 1.087 1.096 0.000 0.000 0.000 3/32400 870.0 1.089 1.074 1.083 0.000 0.000 0.000 3/32400 880.0 1.076 1.062 1.070 0.000 0.000 0.000 3/32400 890.0 1.064 1.050 1.058 0.000 0.000 0.000 3/32400 900.0 1.052 1.038 1.046 0.000 0.000 0.000 3/32400 910.0 1.040 1.026 1.034 0.000 0.000 0.000 3/32400 920.0 1.029 1.015 1.023 0.000 0.000 0.000 3/32400 930.0 1.018 1.004 1.012 0.000 0.000 0.000 3/32400 940.0 1.007 0.993 1.001 0.000 0.000 0.000 3/32400 950.0 0.996 0.983 0.990 0.000 0.000 0.000 3/32400 960.0 0.985 0.973 0.980 0.000 0.000 0.000 3/32400 970.0 0.975 0.962 0.970 0.000 0.000 0.000 3/32400 980.0 0.965 0.953 0.960 0.000 0.000 0.000 3/32400 990.0 0.955 0.943 0.950 0.000 0.000 0.000 3/32400 1000.0 0.946 0.933 0.940 0.000 0.000 0.000 3/32400 Thermal conductivity related properties were written into "kappa-m1065.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 01:08:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|