----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 02:28:49]------------------------- 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 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.256563390163082 0.000000000000000 0.000000000000000 b 0.000000000000000 11.442197510000000 0.000000000000000 c -5.367253797511991 0.000000000000000 7.227834166614409 Atomic positions (fractional): *1 Sr 0.23929701470909 0.90597320949243 0.23541671559974 87.620 2 Sr 0.76070298529091 0.40597320949243 0.26458328440026 87.620 3 Sr 0.23929701470909 0.59402679050757 0.73541671559974 87.620 4 Sr 0.76070298529091 0.09402679050757 0.76458328440026 87.620 *5 I 0.30095098152770 0.21845770088581 0.25852797800634 126.904 6 I 0.69904901847230 0.71845770088581 0.24147202199366 126.904 *7 I 0.73529783432056 0.07620896748075 0.20982880564784 126.904 8 I 0.26470216567944 0.57620896748075 0.29017119435216 126.904 9 I 0.73529783432056 0.42379103251925 0.70982880564784 126.904 10 I 0.26470216567944 0.92379103251925 0.79017119435216 126.904 11 I 0.30095098152770 0.28154229911419 0.75852797800634 126.904 12 I 0.69904901847230 0.78154229911419 0.74147202199366 126.904 *13 O 0.10212906751295 0.11059919385901 0.08986912863101 15.999 *14 O 0.40037064083231 0.90657717177581 0.04039053344660 15.999 *15 O 0.49174274304473 0.60820854795485 0.08269250542820 15.999 *16 O 0.43759193822171 0.25873456668394 0.14837014263940 15.999 17 O 0.56240806177828 0.75873456668394 0.35162985736060 15.999 *18 O 0.07175500923750 0.70169419083552 0.20122108311206 15.999 *19 O 0.06207898982061 0.45672450988784 0.21792977236058 15.999 20 O 0.50825725695527 0.10820854795485 0.41730749457180 15.999 21 O 0.93792101017939 0.95672450988784 0.28207022763942 15.999 22 O 0.92824499076250 0.20169419083552 0.29877891688794 15.999 23 O 0.59962935916769 0.40657717177581 0.45960946655341 15.999 24 O 0.89787093248705 0.61059919385901 0.41013087136899 15.999 25 O 0.10212906751295 0.38940080614099 0.58986912863102 15.999 26 O 0.40037064083231 0.59342282822419 0.54039053344660 15.999 27 O 0.07175500923750 0.79830580916448 0.70122108311206 15.999 28 O 0.06207898982061 0.04327549011216 0.71792977236058 15.999 29 O 0.49174274304473 0.89179145204515 0.58269250542820 15.999 30 O 0.93792101017939 0.54327549011216 0.78207022763942 15.999 31 O 0.92824499076250 0.29830580916448 0.79877891688794 15.999 32 O 0.43759193822171 0.24126543331606 0.64837014263940 15.999 33 O 0.56240806177828 0.74126543331606 0.85162985736060 15.999 34 O 0.50825725695527 0.39179145204515 0.91730749457180 15.999 35 O 0.59962935916769 0.09342282822419 0.95960946655340 15.999 36 O 0.89787093248705 0.88940080614099 0.91013087136898 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.256563390163082 0.000000000000000 0.000000000000000 b 0.000000000000000 11.442197510000000 0.000000000000000 c -5.367253797511991 0.000000000000000 7.227834166614409 Atomic positions (fractional): *1 Sr 0.23929701470909 0.90597320949243 0.23541671559974 87.620 > 1 2 Sr 0.76070298529091 0.40597320949243 0.26458328440026 87.620 > 2 3 Sr 0.23929701470909 0.59402679050757 0.73541671559974 87.620 > 3 4 Sr 0.76070298529091 0.09402679050757 0.76458328440026 87.620 > 4 *5 I 0.30095098152770 0.21845770088581 0.25852797800634 126.904 > 5 6 I 0.69904901847230 0.71845770088581 0.24147202199366 126.904 > 6 *7 I 0.73529783432056 0.07620896748075 0.20982880564784 126.904 > 7 8 I 0.26470216567944 0.57620896748075 0.29017119435216 126.904 > 8 9 I 0.73529783432056 0.42379103251925 0.70982880564784 126.904 > 9 10 I 0.26470216567944 0.92379103251925 0.79017119435216 126.904 > 10 11 I 0.30095098152770 0.28154229911419 0.75852797800634 126.904 > 11 12 I 0.69904901847230 0.78154229911419 0.74147202199366 126.904 > 12 *13 O 0.10212906751295 0.11059919385901 0.08986912863101 15.999 > 13 *14 O 0.40037064083231 0.90657717177581 0.04039053344660 15.999 > 14 *15 O 0.49174274304473 0.60820854795485 0.08269250542820 15.999 > 15 *16 O 0.43759193822171 0.25873456668394 0.14837014263940 15.999 > 16 17 O 0.56240806177828 0.75873456668394 0.35162985736060 15.999 > 17 *18 O 0.07175500923750 0.70169419083552 0.20122108311206 15.999 > 18 *19 O 0.06207898982061 0.45672450988784 0.21792977236058 15.999 > 19 20 O 0.50825725695527 0.10820854795485 0.41730749457180 15.999 > 20 21 O 0.93792101017939 0.95672450988784 0.28207022763942 15.999 > 21 22 O 0.92824499076250 0.20169419083552 0.29877891688794 15.999 > 22 23 O 0.59962935916769 0.40657717177581 0.45960946655341 15.999 > 23 24 O 0.89787093248705 0.61059919385901 0.41013087136899 15.999 > 24 25 O 0.10212906751295 0.38940080614099 0.58986912863102 15.999 > 25 26 O 0.40037064083231 0.59342282822419 0.54039053344660 15.999 > 26 27 O 0.07175500923750 0.79830580916448 0.70122108311206 15.999 > 27 28 O 0.06207898982061 0.04327549011216 0.71792977236058 15.999 > 28 29 O 0.49174274304473 0.89179145204515 0.58269250542820 15.999 > 29 30 O 0.93792101017939 0.54327549011216 0.78207022763942 15.999 > 30 31 O 0.92824499076250 0.29830580916448 0.79877891688794 15.999 > 31 32 O 0.43759193822171 0.24126543331606 0.64837014263940 15.999 > 32 33 O 0.56240806177828 0.74126543331606 0.85162985736060 15.999 > 33 34 O 0.50825725695527 0.39179145204515 0.91730749457180 15.999 > 34 35 O 0.59962935916769 0.09342282822419 0.95960946655340 15.999 > 35 36 O 0.89787093248705 0.88940080614099 0.91013087136898 15.999 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.513126780326164 0.000000000000000 0.000000000000000 b 0.000000000000000 11.442197510000000 0.000000000000000 c -10.734507595023983 0.000000000000000 14.455668333228818 Atomic positions (fractional): *1 Sr 0.11964850735455 0.90597320949243 0.11770835779987 87.620 > 1 2 Sr 0.61964850735455 0.90597320949243 0.11770835779987 87.620 > 1 3 Sr 0.11964850735455 0.90597320949243 0.61770835779987 87.620 > 1 4 Sr 0.61964850735455 0.90597320949243 0.61770835779987 87.620 > 1 5 Sr 0.38035149264545 0.40597320949243 0.13229164220013 87.620 > 2 6 Sr 0.88035149264545 0.40597320949243 0.13229164220013 87.620 > 2 7 Sr 0.38035149264545 0.40597320949243 0.63229164220013 87.620 > 2 8 Sr 0.88035149264545 0.40597320949243 0.63229164220013 87.620 > 2 9 Sr 0.11964850735455 0.59402679050757 0.36770835779987 87.620 > 3 10 Sr 0.61964850735455 0.59402679050757 0.36770835779987 87.620 > 3 11 Sr 0.11964850735455 0.59402679050757 0.86770835779987 87.620 > 3 12 Sr 0.61964850735455 0.59402679050757 0.86770835779987 87.620 > 3 13 Sr 0.38035149264545 0.09402679050757 0.38229164220013 87.620 > 4 14 Sr 0.88035149264545 0.09402679050757 0.38229164220013 87.620 > 4 15 Sr 0.38035149264545 0.09402679050757 0.88229164220013 87.620 > 4 16 Sr 0.88035149264545 0.09402679050757 0.88229164220013 87.620 > 4 *17 I 0.15047549076385 0.21845770088581 0.12926398900317 126.904 > 5 18 I 0.65047549076385 0.21845770088581 0.12926398900317 126.904 > 5 19 I 0.15047549076385 0.21845770088581 0.62926398900317 126.904 > 5 20 I 0.65047549076385 0.21845770088581 0.62926398900317 126.904 > 5 21 I 0.34952450923615 0.71845770088581 0.12073601099683 126.904 > 6 22 I 0.84952450923615 0.71845770088581 0.12073601099683 126.904 > 6 23 I 0.34952450923615 0.71845770088581 0.62073601099683 126.904 > 6 24 I 0.84952450923615 0.71845770088581 0.62073601099683 126.904 > 6 *25 I 0.36764891716028 0.07620896748075 0.10491440282392 126.904 > 7 26 I 0.86764891716028 0.07620896748075 0.10491440282392 126.904 > 7 27 I 0.36764891716028 0.07620896748075 0.60491440282392 126.904 > 7 28 I 0.86764891716028 0.07620896748075 0.60491440282392 126.904 > 7 29 I 0.13235108283972 0.57620896748075 0.14508559717608 126.904 > 8 30 I 0.63235108283972 0.57620896748075 0.14508559717608 126.904 > 8 31 I 0.13235108283972 0.57620896748075 0.64508559717608 126.904 > 8 32 I 0.63235108283972 0.57620896748075 0.64508559717608 126.904 > 8 33 I 0.36764891716028 0.42379103251925 0.35491440282392 126.904 > 9 34 I 0.86764891716028 0.42379103251925 0.35491440282392 126.904 > 9 35 I 0.36764891716028 0.42379103251925 0.85491440282392 126.904 > 9 36 I 0.86764891716028 0.42379103251925 0.85491440282392 126.904 > 9 37 I 0.13235108283972 0.92379103251925 0.39508559717608 126.904 > 10 38 I 0.63235108283972 0.92379103251925 0.39508559717608 126.904 > 10 39 I 0.13235108283972 0.92379103251925 0.89508559717608 126.904 > 10 40 I 0.63235108283972 0.92379103251925 0.89508559717608 126.904 > 10 41 I 0.15047549076385 0.28154229911419 0.37926398900317 126.904 > 11 42 I 0.65047549076385 0.28154229911419 0.37926398900317 126.904 > 11 43 I 0.15047549076385 0.28154229911419 0.87926398900317 126.904 > 11 44 I 0.65047549076385 0.28154229911419 0.87926398900317 126.904 > 11 45 I 0.34952450923615 0.78154229911419 0.37073601099683 126.904 > 12 46 I 0.84952450923615 0.78154229911419 0.37073601099683 126.904 > 12 47 I 0.34952450923615 0.78154229911419 0.87073601099683 126.904 > 12 48 I 0.84952450923615 0.78154229911419 0.87073601099683 126.904 > 12 *49 O 0.05106453375647 0.11059919385901 0.04493456431551 15.999 > 13 50 O 0.55106453375647 0.11059919385901 0.04493456431551 15.999 > 13 51 O 0.05106453375647 0.11059919385901 0.54493456431551 15.999 > 13 52 O 0.55106453375647 0.11059919385901 0.54493456431551 15.999 > 13 *53 O 0.20018532041616 0.90657717177581 0.02019526672330 15.999 > 14 54 O 0.70018532041616 0.90657717177581 0.02019526672330 15.999 > 14 55 O 0.20018532041616 0.90657717177581 0.52019526672330 15.999 > 14 56 O 0.70018532041616 0.90657717177581 0.52019526672330 15.999 > 14 *57 O 0.24587137152236 0.60820854795485 0.04134625271410 15.999 > 15 58 O 0.74587137152236 0.60820854795485 0.04134625271410 15.999 > 15 59 O 0.24587137152236 0.60820854795485 0.54134625271410 15.999 > 15 60 O 0.74587137152236 0.60820854795485 0.54134625271410 15.999 > 15 *61 O 0.21879596911086 0.25873456668394 0.07418507131970 15.999 > 16 62 O 0.71879596911086 0.25873456668394 0.07418507131970 15.999 > 16 63 O 0.21879596911086 0.25873456668394 0.57418507131970 15.999 > 16 64 O 0.71879596911086 0.25873456668394 0.57418507131970 15.999 > 16 65 O 0.28120403088914 0.75873456668394 0.17581492868030 15.999 > 17 66 O 0.78120403088914 0.75873456668394 0.17581492868030 15.999 > 17 67 O 0.28120403088914 0.75873456668394 0.67581492868030 15.999 > 17 68 O 0.78120403088914 0.75873456668394 0.67581492868030 15.999 > 17 *69 O 0.03587750461875 0.70169419083552 0.10061054155603 15.999 > 18 70 O 0.53587750461875 0.70169419083552 0.10061054155603 15.999 > 18 71 O 0.03587750461875 0.70169419083552 0.60061054155603 15.999 > 18 72 O 0.53587750461875 0.70169419083552 0.60061054155603 15.999 > 18 *73 O 0.03103949491031 0.45672450988784 0.10896488618029 15.999 > 19 74 O 0.53103949491031 0.45672450988784 0.10896488618029 15.999 > 19 75 O 0.03103949491031 0.45672450988784 0.60896488618029 15.999 > 19 76 O 0.53103949491031 0.45672450988784 0.60896488618029 15.999 > 19 77 O 0.25412862847764 0.10820854795485 0.20865374728590 15.999 > 20 78 O 0.75412862847764 0.10820854795485 0.20865374728590 15.999 > 20 79 O 0.25412862847764 0.10820854795485 0.70865374728590 15.999 > 20 80 O 0.75412862847764 0.10820854795485 0.70865374728590 15.999 > 20 81 O 0.46896050508969 0.95672450988784 0.14103511381971 15.999 > 21 82 O 0.96896050508969 0.95672450988784 0.14103511381971 15.999 > 21 83 O 0.46896050508969 0.95672450988784 0.64103511381971 15.999 > 21 84 O 0.96896050508969 0.95672450988784 0.64103511381971 15.999 > 21 85 O 0.46412249538125 0.20169419083552 0.14938945844397 15.999 > 22 86 O 0.96412249538125 0.20169419083552 0.14938945844397 15.999 > 22 87 O 0.46412249538125 0.20169419083552 0.64938945844397 15.999 > 22 88 O 0.96412249538125 0.20169419083552 0.64938945844397 15.999 > 22 89 O 0.29981467958384 0.40657717177581 0.22980473327670 15.999 > 23 90 O 0.79981467958384 0.40657717177581 0.22980473327670 15.999 > 23 91 O 0.29981467958384 0.40657717177581 0.72980473327670 15.999 > 23 92 O 0.79981467958384 0.40657717177581 0.72980473327670 15.999 > 23 93 O 0.44893546624353 0.61059919385901 0.20506543568449 15.999 > 24 94 O 0.94893546624353 0.61059919385901 0.20506543568449 15.999 > 24 95 O 0.44893546624353 0.61059919385901 0.70506543568449 15.999 > 24 96 O 0.94893546624353 0.61059919385901 0.70506543568449 15.999 > 24 97 O 0.05106453375647 0.38940080614099 0.29493456431551 15.999 > 25 98 O 0.55106453375647 0.38940080614099 0.29493456431551 15.999 > 25 99 O 0.05106453375647 0.38940080614099 0.79493456431551 15.999 > 25 100 O 0.55106453375647 0.38940080614099 0.79493456431551 15.999 > 25 101 O 0.20018532041616 0.59342282822419 0.27019526672330 15.999 > 26 102 O 0.70018532041616 0.59342282822419 0.27019526672330 15.999 > 26 103 O 0.20018532041616 0.59342282822419 0.77019526672330 15.999 > 26 104 O 0.70018532041616 0.59342282822419 0.77019526672330 15.999 > 26 105 O 0.03587750461875 0.79830580916448 0.35061054155603 15.999 > 27 106 O 0.53587750461875 0.79830580916448 0.35061054155603 15.999 > 27 107 O 0.03587750461875 0.79830580916448 0.85061054155603 15.999 > 27 108 O 0.53587750461875 0.79830580916448 0.85061054155603 15.999 > 27 109 O 0.03103949491031 0.04327549011216 0.35896488618029 15.999 > 28 110 O 0.53103949491031 0.04327549011216 0.35896488618029 15.999 > 28 111 O 0.03103949491031 0.04327549011216 0.85896488618029 15.999 > 28 112 O 0.53103949491031 0.04327549011216 0.85896488618029 15.999 > 28 113 O 0.24587137152236 0.89179145204515 0.29134625271410 15.999 > 29 114 O 0.74587137152236 0.89179145204515 0.29134625271410 15.999 > 29 115 O 0.24587137152236 0.89179145204515 0.79134625271410 15.999 > 29 116 O 0.74587137152236 0.89179145204515 0.79134625271410 15.999 > 29 117 O 0.46896050508969 0.54327549011216 0.39103511381971 15.999 > 30 118 O 0.96896050508969 0.54327549011216 0.39103511381971 15.999 > 30 119 O 0.46896050508969 0.54327549011216 0.89103511381971 15.999 > 30 120 O 0.96896050508969 0.54327549011216 0.89103511381971 15.999 > 30 121 O 0.46412249538125 0.29830580916448 0.39938945844397 15.999 > 31 122 O 0.96412249538125 0.29830580916448 0.39938945844397 15.999 > 31 123 O 0.46412249538125 0.29830580916448 0.89938945844397 15.999 > 31 124 O 0.96412249538125 0.29830580916448 0.89938945844397 15.999 > 31 125 O 0.21879596911086 0.24126543331606 0.32418507131970 15.999 > 32 126 O 0.71879596911086 0.24126543331606 0.32418507131970 15.999 > 32 127 O 0.21879596911086 0.24126543331606 0.82418507131970 15.999 > 32 128 O 0.71879596911086 0.24126543331606 0.82418507131970 15.999 > 32 129 O 0.28120403088914 0.74126543331606 0.42581492868030 15.999 > 33 130 O 0.78120403088914 0.74126543331606 0.42581492868030 15.999 > 33 131 O 0.28120403088914 0.74126543331606 0.92581492868030 15.999 > 33 132 O 0.78120403088914 0.74126543331606 0.92581492868030 15.999 > 33 133 O 0.25412862847764 0.39179145204515 0.45865374728590 15.999 > 34 134 O 0.75412862847764 0.39179145204515 0.45865374728590 15.999 > 34 135 O 0.25412862847764 0.39179145204515 0.95865374728590 15.999 > 34 136 O 0.75412862847764 0.39179145204515 0.95865374728590 15.999 > 34 137 O 0.29981467958384 0.09342282822419 0.47980473327670 15.999 > 35 138 O 0.79981467958384 0.09342282822419 0.47980473327670 15.999 > 35 139 O 0.29981467958384 0.09342282822419 0.97980473327670 15.999 > 35 140 O 0.79981467958384 0.09342282822419 0.97980473327670 15.999 > 35 141 O 0.44893546624353 0.88940080614099 0.45506543568449 15.999 > 36 142 O 0.94893546624353 0.88940080614099 0.45506543568449 15.999 > 36 143 O 0.44893546624353 0.88940080614099 0.95506543568449 15.999 > 36 144 O 0.94893546624353 0.88940080614099 0.95506543568449 15.999 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5473916 0.0000000 0.1844635 0.0000000 3.7507711 0.0000000 0.1844627 0.0000000 3.6272257 -------------------------- Born effective charges -------------------------- 1 Sr 2.6243138 -0.2227218 0.1693422 -0.1939977 2.9819395 -0.1030284 -0.0612065 -0.1917412 2.7021233 2 Sr 2.6243138 0.2227218 0.1693422 0.1939977 2.9819395 0.1030284 -0.0612065 0.1917412 2.7021233 3 Sr 2.6243138 0.2227218 0.1693422 0.1939977 2.9819395 0.1030284 -0.0612065 0.1917412 2.7021233 4 Sr 2.6243138 -0.2227218 0.1693422 -0.1939977 2.9819395 -0.1030284 -0.0612065 -0.1917412 2.7021233 5 I 3.7218265 0.7023314 -0.1551451 0.5698266 3.3336244 0.3648880 0.1967171 0.5333666 3.5818670 6 I 3.7218265 -0.7023314 -0.1551451 -0.5698266 3.3336244 -0.3648880 0.1967171 -0.5333666 3.5818670 7 I 2.9060555 -0.2253762 0.8892359 -0.1810054 3.8040539 0.1301863 0.5466466 0.4922115 3.5487600 8 I 2.9060555 0.2253762 0.8892359 0.1810054 3.8040539 -0.1301863 0.5466466 -0.4922115 3.5487600 9 I 2.9060555 0.2253762 0.8892359 0.1810054 3.8040539 -0.1301863 0.5466466 -0.4922115 3.5487600 10 I 2.9060555 -0.2253762 0.8892359 -0.1810054 3.8040539 0.1301863 0.5466466 0.4922115 3.5487600 11 I 3.7218265 -0.7023314 -0.1551451 -0.5698266 3.3336244 -0.3648880 0.1967171 -0.5333666 3.5818670 12 I 3.7218265 0.7023314 -0.1551451 0.5698266 3.3336244 0.3648880 0.1967171 0.5333666 3.5818670 13 O -1.2395418 -0.6304118 -0.6345387 -0.1706411 -1.6848324 -0.4338407 -0.3376577 -0.7168868 -1.8093371 14 O -1.1514555 -0.1185067 -0.4448082 -0.1402732 -1.4634419 0.0864798 0.1840144 0.1388233 -2.6380453 15 O -1.0874010 -0.1604538 0.0557003 -0.2997900 -1.5014184 -0.2411803 -0.1924263 -0.6459637 -1.9558765 16 O -2.4642013 0.0317265 0.5152087 -0.4540594 -1.3500344 0.2206180 0.5793288 -0.0936786 -1.2998982 17 O -2.4642013 -0.0317265 0.5152087 0.4540594 -1.3500344 -0.2206180 0.5793288 0.0936786 -1.2998982 18 O -1.6485969 0.4028309 -0.2580205 0.6275221 -2.0819580 0.3712453 -0.4695032 0.7522130 -1.0590328 19 O -1.6609993 -0.3840008 -0.1369747 -0.9307403 -2.0379327 -0.3810996 -0.4459133 -0.4228034 -1.0705603 20 O -1.0874010 0.1604538 0.0557003 0.2997900 -1.5014184 0.2411803 -0.1924263 0.6459637 -1.9558765 21 O -1.6609993 0.3840008 -0.1369747 0.9307403 -2.0379327 0.3810996 -0.4459133 0.4228034 -1.0705603 22 O -1.6485969 -0.4028309 -0.2580205 -0.6275221 -2.0819580 -0.3712453 -0.4695032 -0.7522130 -1.0590328 23 O -1.1514555 0.1185067 -0.4448082 0.1402732 -1.4634419 -0.0864798 0.1840144 -0.1388233 -2.6380453 24 O -1.2395418 0.6304118 -0.6345387 0.1706411 -1.6848324 0.4338407 -0.3376577 0.7168868 -1.8093371 25 O -1.2395418 0.6304118 -0.6345387 0.1706411 -1.6848324 0.4338407 -0.3376577 0.7168868 -1.8093371 26 O -1.1514555 0.1185067 -0.4448082 0.1402732 -1.4634419 -0.0864798 0.1840144 -0.1388233 -2.6380453 27 O -1.6485969 -0.4028309 -0.2580205 -0.6275221 -2.0819580 -0.3712453 -0.4695032 -0.7522130 -1.0590328 28 O -1.6609993 0.3840008 -0.1369747 0.9307403 -2.0379327 0.3810996 -0.4459133 0.4228034 -1.0705603 29 O -1.0874010 0.1604538 0.0557003 0.2997900 -1.5014184 0.2411803 -0.1924263 0.6459637 -1.9558765 30 O -1.6609993 -0.3840008 -0.1369747 -0.9307403 -2.0379327 -0.3810996 -0.4459133 -0.4228034 -1.0705603 31 O -1.6485969 0.4028309 -0.2580205 0.6275221 -2.0819580 0.3712453 -0.4695032 0.7522130 -1.0590328 32 O -2.4642013 -0.0317265 0.5152087 0.4540594 -1.3500344 -0.2206180 0.5793288 0.0936786 -1.2998982 33 O -2.4642013 0.0317265 0.5152087 -0.4540594 -1.3500344 0.2206180 0.5793288 -0.0936786 -1.2998982 34 O -1.0874010 -0.1604538 0.0557003 -0.2997900 -1.5014184 -0.2411803 -0.1924263 -0.6459637 -1.9558765 35 O -1.1514555 -0.1185067 -0.4448082 -0.1402732 -1.4634419 0.0864798 0.1840144 0.1388233 -2.6380453 36 O -1.2395418 -0.6304118 -0.6345387 -0.1706411 -1.6848324 -0.4338407 -0.3376577 -0.7168868 -1.8093371 ---------------------------------------------------------------------------- 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: 5994 Number of blocks in projector: 5994 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) 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) 236 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1296 / 1296 (1) 281 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 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) 236 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1296 / 1296 (1) 281 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 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) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (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: 702 / 702 (1) 193 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: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (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: 702 / 702 (1) 193 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: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (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: 702 / 702 (1) 196 eigenvectors found. (1) Complementary block size: 15 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. Tree of FC basis block matrices: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 6), data: (702, 15) @ (15, 6) |-- (202, 196), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 281), data: True |-- (500, 483), data: False |-- (500, 14), data: (500, 31) @ (31, 14) |-- (250, 233), data: True |-- (250, 236), 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, 32), data: (1296, 50) @ (50, 32) |-- (296, 281), data: True |-- (500, 483), data: False |-- (500, 14), data: (500, 31) @ (31, 14) |-- (250, 233), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1120 - Time: 1.911 Solver_block: 200 / 1120 - Time: 1.686 Solver_block: 300 / 1120 - Time: 1.686 Solver_block: 400 / 1120 - Time: 1.691 Solver_block: 500 / 1120 - Time: 1.684 Solver_block: 600 / 1120 - Time: 1.687 Solver_block: 700 / 1120 - Time: 1.692 Solver_block: 800 / 1120 - Time: 1.687 Solver_block: 900 / 1120 - Time: 1.695 Solver_block: 1000 / 1120 - Time: 1.688 Solver_block: 1100 / 1120 - Time: 1.683 Solver_block: 1120 / 1120 - Time: 0.538 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 19.848 --------------------------------- 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: 5994 Number of blocks in projector: 5994 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) 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) 236 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1296 / 1296 (1) 281 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 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) 236 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1296 / 1296 (1) 281 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 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) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (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: 702 / 702 (1) 193 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: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (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: 702 / 702 (1) 193 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: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (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: 702 / 702 (1) 196 eigenvectors found. (1) Complementary block size: 15 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. Tree of FC basis block matrices: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 6), data: (702, 15) @ (15, 6) |-- (202, 196), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 281), data: True |-- (500, 483), data: False |-- (500, 14), data: (500, 31) @ (31, 14) |-- (250, 233), data: True |-- (250, 236), 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, 32), data: (1296, 50) @ (50, 32) |-- (296, 281), data: True |-- (500, 483), data: False |-- (500, 14), data: (500, 31) @ (31, 14) |-- (250, 233), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 02:30:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 02:30:10]------------------------- 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 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.256563390163082 0.000000000000000 0.000000000000000 b 0.000000000000000 11.442197510000000 0.000000000000000 c -5.367253797511991 0.000000000000000 7.227834166614409 Atomic positions (fractional): 1 Sr 0.23929701470909 0.90597320949243 0.23541671559974 87.620 2 Sr 0.76070298529091 0.40597320949243 0.26458328440026 87.620 3 Sr 0.23929701470909 0.59402679050757 0.73541671559974 87.620 4 Sr 0.76070298529091 0.09402679050757 0.76458328440026 87.620 5 I 0.30095098152770 0.21845770088581 0.25852797800634 126.904 6 I 0.69904901847230 0.71845770088581 0.24147202199366 126.904 7 I 0.73529783432056 0.07620896748075 0.20982880564784 126.904 8 I 0.26470216567944 0.57620896748075 0.29017119435216 126.904 9 I 0.73529783432056 0.42379103251925 0.70982880564784 126.904 10 I 0.26470216567944 0.92379103251925 0.79017119435216 126.904 11 I 0.30095098152770 0.28154229911419 0.75852797800634 126.904 12 I 0.69904901847230 0.78154229911419 0.74147202199366 126.904 13 O 0.10212906751295 0.11059919385901 0.08986912863101 15.999 14 O 0.40037064083231 0.90657717177581 0.04039053344660 15.999 15 O 0.49174274304473 0.60820854795485 0.08269250542820 15.999 16 O 0.43759193822171 0.25873456668394 0.14837014263940 15.999 17 O 0.56240806177828 0.75873456668394 0.35162985736060 15.999 18 O 0.07175500923750 0.70169419083552 0.20122108311206 15.999 19 O 0.06207898982061 0.45672450988784 0.21792977236058 15.999 20 O 0.50825725695527 0.10820854795485 0.41730749457180 15.999 21 O 0.93792101017939 0.95672450988784 0.28207022763942 15.999 22 O 0.92824499076250 0.20169419083552 0.29877891688794 15.999 23 O 0.59962935916769 0.40657717177581 0.45960946655341 15.999 24 O 0.89787093248705 0.61059919385901 0.41013087136899 15.999 25 O 0.10212906751295 0.38940080614099 0.58986912863102 15.999 26 O 0.40037064083231 0.59342282822419 0.54039053344660 15.999 27 O 0.07175500923750 0.79830580916448 0.70122108311206 15.999 28 O 0.06207898982061 0.04327549011216 0.71792977236058 15.999 29 O 0.49174274304473 0.89179145204515 0.58269250542820 15.999 30 O 0.93792101017939 0.54327549011216 0.78207022763942 15.999 31 O 0.92824499076250 0.29830580916448 0.79877891688794 15.999 32 O 0.43759193822171 0.24126543331606 0.64837014263940 15.999 33 O 0.56240806177828 0.74126543331606 0.85162985736060 15.999 34 O 0.50825725695527 0.39179145204515 0.91730749457180 15.999 35 O 0.59962935916769 0.09342282822419 0.95960946655340 15.999 36 O 0.89787093248705 0.88940080614099 0.91013087136898 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.513126780326164 0.000000000000000 0.000000000000000 b 0.000000000000000 11.442197510000000 0.000000000000000 c -10.734507595023983 0.000000000000000 14.455668333228818 Atomic positions (fractional): 1 Sr 0.11964850735455 0.90597320949243 0.11770835779987 87.620 > 1 2 Sr 0.61964850735455 0.90597320949243 0.11770835779987 87.620 > 1 3 Sr 0.11964850735455 0.90597320949243 0.61770835779987 87.620 > 1 4 Sr 0.61964850735455 0.90597320949243 0.61770835779987 87.620 > 1 5 Sr 0.38035149264545 0.40597320949243 0.13229164220013 87.620 > 5 6 Sr 0.88035149264545 0.40597320949243 0.13229164220013 87.620 > 5 7 Sr 0.38035149264545 0.40597320949243 0.63229164220013 87.620 > 5 8 Sr 0.88035149264545 0.40597320949243 0.63229164220013 87.620 > 5 9 Sr 0.11964850735455 0.59402679050757 0.36770835779987 87.620 > 9 10 Sr 0.61964850735455 0.59402679050757 0.36770835779987 87.620 > 9 11 Sr 0.11964850735455 0.59402679050757 0.86770835779987 87.620 > 9 12 Sr 0.61964850735455 0.59402679050757 0.86770835779987 87.620 > 9 13 Sr 0.38035149264545 0.09402679050757 0.38229164220013 87.620 > 13 14 Sr 0.88035149264545 0.09402679050757 0.38229164220013 87.620 > 13 15 Sr 0.38035149264545 0.09402679050757 0.88229164220013 87.620 > 13 16 Sr 0.88035149264545 0.09402679050757 0.88229164220013 87.620 > 13 17 I 0.15047549076385 0.21845770088581 0.12926398900317 126.904 > 17 18 I 0.65047549076385 0.21845770088581 0.12926398900317 126.904 > 17 19 I 0.15047549076385 0.21845770088581 0.62926398900317 126.904 > 17 20 I 0.65047549076385 0.21845770088581 0.62926398900317 126.904 > 17 21 I 0.34952450923615 0.71845770088581 0.12073601099683 126.904 > 21 22 I 0.84952450923615 0.71845770088581 0.12073601099683 126.904 > 21 23 I 0.34952450923615 0.71845770088581 0.62073601099683 126.904 > 21 24 I 0.84952450923615 0.71845770088581 0.62073601099683 126.904 > 21 25 I 0.36764891716028 0.07620896748075 0.10491440282392 126.904 > 25 26 I 0.86764891716028 0.07620896748075 0.10491440282392 126.904 > 25 27 I 0.36764891716028 0.07620896748075 0.60491440282392 126.904 > 25 28 I 0.86764891716028 0.07620896748075 0.60491440282392 126.904 > 25 29 I 0.13235108283972 0.57620896748075 0.14508559717608 126.904 > 29 30 I 0.63235108283972 0.57620896748075 0.14508559717608 126.904 > 29 31 I 0.13235108283972 0.57620896748075 0.64508559717608 126.904 > 29 32 I 0.63235108283972 0.57620896748075 0.64508559717608 126.904 > 29 33 I 0.36764891716028 0.42379103251925 0.35491440282392 126.904 > 33 34 I 0.86764891716028 0.42379103251925 0.35491440282392 126.904 > 33 35 I 0.36764891716028 0.42379103251925 0.85491440282392 126.904 > 33 36 I 0.86764891716028 0.42379103251925 0.85491440282392 126.904 > 33 37 I 0.13235108283972 0.92379103251925 0.39508559717608 126.904 > 37 38 I 0.63235108283972 0.92379103251925 0.39508559717608 126.904 > 37 39 I 0.13235108283972 0.92379103251925 0.89508559717608 126.904 > 37 40 I 0.63235108283972 0.92379103251925 0.89508559717608 126.904 > 37 41 I 0.15047549076385 0.28154229911419 0.37926398900317 126.904 > 41 42 I 0.65047549076385 0.28154229911419 0.37926398900317 126.904 > 41 43 I 0.15047549076385 0.28154229911419 0.87926398900317 126.904 > 41 44 I 0.65047549076385 0.28154229911419 0.87926398900317 126.904 > 41 45 I 0.34952450923615 0.78154229911419 0.37073601099683 126.904 > 45 46 I 0.84952450923615 0.78154229911419 0.37073601099683 126.904 > 45 47 I 0.34952450923615 0.78154229911419 0.87073601099683 126.904 > 45 48 I 0.84952450923615 0.78154229911419 0.87073601099683 126.904 > 45 49 O 0.05106453375647 0.11059919385901 0.04493456431551 15.999 > 49 50 O 0.55106453375647 0.11059919385901 0.04493456431551 15.999 > 49 51 O 0.05106453375647 0.11059919385901 0.54493456431551 15.999 > 49 52 O 0.55106453375647 0.11059919385901 0.54493456431551 15.999 > 49 53 O 0.20018532041616 0.90657717177581 0.02019526672330 15.999 > 53 54 O 0.70018532041616 0.90657717177581 0.02019526672330 15.999 > 53 55 O 0.20018532041616 0.90657717177581 0.52019526672330 15.999 > 53 56 O 0.70018532041616 0.90657717177581 0.52019526672330 15.999 > 53 57 O 0.24587137152236 0.60820854795485 0.04134625271410 15.999 > 57 58 O 0.74587137152236 0.60820854795485 0.04134625271410 15.999 > 57 59 O 0.24587137152236 0.60820854795485 0.54134625271410 15.999 > 57 60 O 0.74587137152236 0.60820854795485 0.54134625271410 15.999 > 57 61 O 0.21879596911086 0.25873456668394 0.07418507131970 15.999 > 61 62 O 0.71879596911086 0.25873456668394 0.07418507131970 15.999 > 61 63 O 0.21879596911086 0.25873456668394 0.57418507131970 15.999 > 61 64 O 0.71879596911086 0.25873456668394 0.57418507131970 15.999 > 61 65 O 0.28120403088914 0.75873456668394 0.17581492868030 15.999 > 65 66 O 0.78120403088914 0.75873456668394 0.17581492868030 15.999 > 65 67 O 0.28120403088914 0.75873456668394 0.67581492868030 15.999 > 65 68 O 0.78120403088914 0.75873456668394 0.67581492868030 15.999 > 65 69 O 0.03587750461875 0.70169419083552 0.10061054155603 15.999 > 69 70 O 0.53587750461875 0.70169419083552 0.10061054155603 15.999 > 69 71 O 0.03587750461875 0.70169419083552 0.60061054155603 15.999 > 69 72 O 0.53587750461875 0.70169419083552 0.60061054155603 15.999 > 69 73 O 0.03103949491031 0.45672450988784 0.10896488618029 15.999 > 73 74 O 0.53103949491031 0.45672450988784 0.10896488618029 15.999 > 73 75 O 0.03103949491031 0.45672450988784 0.60896488618029 15.999 > 73 76 O 0.53103949491031 0.45672450988784 0.60896488618029 15.999 > 73 77 O 0.25412862847764 0.10820854795485 0.20865374728590 15.999 > 77 78 O 0.75412862847764 0.10820854795485 0.20865374728590 15.999 > 77 79 O 0.25412862847764 0.10820854795485 0.70865374728590 15.999 > 77 80 O 0.75412862847764 0.10820854795485 0.70865374728590 15.999 > 77 81 O 0.46896050508969 0.95672450988784 0.14103511381971 15.999 > 81 82 O 0.96896050508969 0.95672450988784 0.14103511381971 15.999 > 81 83 O 0.46896050508969 0.95672450988784 0.64103511381971 15.999 > 81 84 O 0.96896050508969 0.95672450988784 0.64103511381971 15.999 > 81 85 O 0.46412249538125 0.20169419083552 0.14938945844397 15.999 > 85 86 O 0.96412249538125 0.20169419083552 0.14938945844397 15.999 > 85 87 O 0.46412249538125 0.20169419083552 0.64938945844397 15.999 > 85 88 O 0.96412249538125 0.20169419083552 0.64938945844397 15.999 > 85 89 O 0.29981467958384 0.40657717177581 0.22980473327670 15.999 > 89 90 O 0.79981467958384 0.40657717177581 0.22980473327670 15.999 > 89 91 O 0.29981467958384 0.40657717177581 0.72980473327670 15.999 > 89 92 O 0.79981467958384 0.40657717177581 0.72980473327670 15.999 > 89 93 O 0.44893546624353 0.61059919385901 0.20506543568449 15.999 > 93 94 O 0.94893546624353 0.61059919385901 0.20506543568449 15.999 > 93 95 O 0.44893546624353 0.61059919385901 0.70506543568449 15.999 > 93 96 O 0.94893546624353 0.61059919385901 0.70506543568449 15.999 > 93 97 O 0.05106453375647 0.38940080614099 0.29493456431551 15.999 > 97 98 O 0.55106453375647 0.38940080614099 0.29493456431551 15.999 > 97 99 O 0.05106453375647 0.38940080614099 0.79493456431551 15.999 > 97 100 O 0.55106453375647 0.38940080614099 0.79493456431551 15.999 > 97 101 O 0.20018532041616 0.59342282822419 0.27019526672330 15.999 > 101 102 O 0.70018532041616 0.59342282822419 0.27019526672330 15.999 > 101 103 O 0.20018532041616 0.59342282822419 0.77019526672330 15.999 > 101 104 O 0.70018532041616 0.59342282822419 0.77019526672330 15.999 > 101 105 O 0.03587750461875 0.79830580916448 0.35061054155603 15.999 > 105 106 O 0.53587750461875 0.79830580916448 0.35061054155603 15.999 > 105 107 O 0.03587750461875 0.79830580916448 0.85061054155603 15.999 > 105 108 O 0.53587750461875 0.79830580916448 0.85061054155603 15.999 > 105 109 O 0.03103949491031 0.04327549011216 0.35896488618029 15.999 > 109 110 O 0.53103949491031 0.04327549011216 0.35896488618029 15.999 > 109 111 O 0.03103949491031 0.04327549011216 0.85896488618029 15.999 > 109 112 O 0.53103949491031 0.04327549011216 0.85896488618029 15.999 > 109 113 O 0.24587137152236 0.89179145204515 0.29134625271410 15.999 > 113 114 O 0.74587137152236 0.89179145204515 0.29134625271410 15.999 > 113 115 O 0.24587137152236 0.89179145204515 0.79134625271410 15.999 > 113 116 O 0.74587137152236 0.89179145204515 0.79134625271410 15.999 > 113 117 O 0.46896050508969 0.54327549011216 0.39103511381971 15.999 > 117 118 O 0.96896050508969 0.54327549011216 0.39103511381971 15.999 > 117 119 O 0.46896050508969 0.54327549011216 0.89103511381971 15.999 > 117 120 O 0.96896050508969 0.54327549011216 0.89103511381971 15.999 > 117 121 O 0.46412249538125 0.29830580916448 0.39938945844397 15.999 > 121 122 O 0.96412249538125 0.29830580916448 0.39938945844397 15.999 > 121 123 O 0.46412249538125 0.29830580916448 0.89938945844397 15.999 > 121 124 O 0.96412249538125 0.29830580916448 0.89938945844397 15.999 > 121 125 O 0.21879596911086 0.24126543331606 0.32418507131970 15.999 > 125 126 O 0.71879596911086 0.24126543331606 0.32418507131970 15.999 > 125 127 O 0.21879596911086 0.24126543331606 0.82418507131970 15.999 > 125 128 O 0.71879596911086 0.24126543331606 0.82418507131970 15.999 > 125 129 O 0.28120403088914 0.74126543331606 0.42581492868030 15.999 > 129 130 O 0.78120403088914 0.74126543331606 0.42581492868030 15.999 > 129 131 O 0.28120403088914 0.74126543331606 0.92581492868030 15.999 > 129 132 O 0.78120403088914 0.74126543331606 0.92581492868030 15.999 > 129 133 O 0.25412862847764 0.39179145204515 0.45865374728590 15.999 > 133 134 O 0.75412862847764 0.39179145204515 0.45865374728590 15.999 > 133 135 O 0.25412862847764 0.39179145204515 0.95865374728590 15.999 > 133 136 O 0.75412862847764 0.39179145204515 0.95865374728590 15.999 > 133 137 O 0.29981467958384 0.09342282822419 0.47980473327670 15.999 > 137 138 O 0.79981467958384 0.09342282822419 0.47980473327670 15.999 > 137 139 O 0.29981467958384 0.09342282822419 0.97980473327670 15.999 > 137 140 O 0.79981467958384 0.09342282822419 0.97980473327670 15.999 > 137 141 O 0.44893546624353 0.88940080614099 0.45506543568449 15.999 > 141 142 O 0.94893546624353 0.88940080614099 0.45506543568449 15.999 > 141 143 O 0.44893546624353 0.88940080614099 0.95506543568449 15.999 > 141 144 O 0.94893546624353 0.88940080614099 0.95506543568449 15.999 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5473916 0.0000000 0.1844635 0.0000000 3.7507711 0.0000000 0.1844627 0.0000000 3.6272257 -------------------------- Born effective charges -------------------------- 1 Sr 2.6243138 -0.2227218 0.1693422 -0.1939977 2.9819395 -0.1030284 -0.0612065 -0.1917412 2.7021233 2 Sr 2.6243138 0.2227218 0.1693422 0.1939977 2.9819395 0.1030284 -0.0612065 0.1917412 2.7021233 3 Sr 2.6243138 0.2227218 0.1693422 0.1939977 2.9819395 0.1030284 -0.0612065 0.1917412 2.7021233 4 Sr 2.6243138 -0.2227218 0.1693422 -0.1939977 2.9819395 -0.1030284 -0.0612065 -0.1917412 2.7021233 5 I 3.7218265 0.7023314 -0.1551451 0.5698266 3.3336244 0.3648880 0.1967171 0.5333666 3.5818670 6 I 3.7218265 -0.7023314 -0.1551451 -0.5698266 3.3336244 -0.3648880 0.1967171 -0.5333666 3.5818670 7 I 2.9060555 -0.2253762 0.8892359 -0.1810054 3.8040539 0.1301863 0.5466466 0.4922115 3.5487600 8 I 2.9060555 0.2253762 0.8892359 0.1810054 3.8040539 -0.1301863 0.5466466 -0.4922115 3.5487600 9 I 2.9060555 0.2253762 0.8892359 0.1810054 3.8040539 -0.1301863 0.5466466 -0.4922115 3.5487600 10 I 2.9060555 -0.2253762 0.8892359 -0.1810054 3.8040539 0.1301863 0.5466466 0.4922115 3.5487600 11 I 3.7218265 -0.7023314 -0.1551451 -0.5698266 3.3336244 -0.3648880 0.1967171 -0.5333666 3.5818670 12 I 3.7218265 0.7023314 -0.1551451 0.5698266 3.3336244 0.3648880 0.1967171 0.5333666 3.5818670 13 O -1.2395418 -0.6304118 -0.6345387 -0.1706411 -1.6848324 -0.4338407 -0.3376577 -0.7168868 -1.8093371 14 O -1.1514555 -0.1185067 -0.4448082 -0.1402732 -1.4634419 0.0864798 0.1840144 0.1388233 -2.6380453 15 O -1.0874010 -0.1604538 0.0557003 -0.2997900 -1.5014184 -0.2411803 -0.1924263 -0.6459637 -1.9558765 16 O -2.4642013 0.0317265 0.5152087 -0.4540594 -1.3500344 0.2206180 0.5793288 -0.0936786 -1.2998982 17 O -2.4642013 -0.0317265 0.5152087 0.4540594 -1.3500344 -0.2206180 0.5793288 0.0936786 -1.2998982 18 O -1.6485969 0.4028309 -0.2580205 0.6275221 -2.0819580 0.3712453 -0.4695032 0.7522130 -1.0590328 19 O -1.6609993 -0.3840008 -0.1369747 -0.9307403 -2.0379327 -0.3810996 -0.4459133 -0.4228034 -1.0705603 20 O -1.0874010 0.1604538 0.0557003 0.2997900 -1.5014184 0.2411803 -0.1924263 0.6459637 -1.9558765 21 O -1.6609993 0.3840008 -0.1369747 0.9307403 -2.0379327 0.3810996 -0.4459133 0.4228034 -1.0705603 22 O -1.6485969 -0.4028309 -0.2580205 -0.6275221 -2.0819580 -0.3712453 -0.4695032 -0.7522130 -1.0590328 23 O -1.1514555 0.1185067 -0.4448082 0.1402732 -1.4634419 -0.0864798 0.1840144 -0.1388233 -2.6380453 24 O -1.2395418 0.6304118 -0.6345387 0.1706411 -1.6848324 0.4338407 -0.3376577 0.7168868 -1.8093371 25 O -1.2395418 0.6304118 -0.6345387 0.1706411 -1.6848324 0.4338407 -0.3376577 0.7168868 -1.8093371 26 O -1.1514555 0.1185067 -0.4448082 0.1402732 -1.4634419 -0.0864798 0.1840144 -0.1388233 -2.6380453 27 O -1.6485969 -0.4028309 -0.2580205 -0.6275221 -2.0819580 -0.3712453 -0.4695032 -0.7522130 -1.0590328 28 O -1.6609993 0.3840008 -0.1369747 0.9307403 -2.0379327 0.3810996 -0.4459133 0.4228034 -1.0705603 29 O -1.0874010 0.1604538 0.0557003 0.2997900 -1.5014184 0.2411803 -0.1924263 0.6459637 -1.9558765 30 O -1.6609993 -0.3840008 -0.1369747 -0.9307403 -2.0379327 -0.3810996 -0.4459133 -0.4228034 -1.0705603 31 O -1.6485969 0.4028309 -0.2580205 0.6275221 -2.0819580 0.3712453 -0.4695032 0.7522130 -1.0590328 32 O -2.4642013 -0.0317265 0.5152087 0.4540594 -1.3500344 -0.2206180 0.5793288 0.0936786 -1.2998982 33 O -2.4642013 0.0317265 0.5152087 -0.4540594 -1.3500344 0.2206180 0.5793288 -0.0936786 -1.2998982 34 O -1.0874010 -0.1604538 0.0557003 -0.2997900 -1.5014184 -0.2411803 -0.1924263 -0.6459637 -1.9558765 35 O -1.1514555 -0.1185067 -0.4448082 -0.1402732 -1.4634419 0.0864798 0.1840144 0.1388233 -2.6380453 36 O -1.2395418 -0.6304118 -0.6345387 -0.1706411 -1.6848324 -0.4338407 -0.3376577 -0.7168868 -1.8093371 ---------------------------------------------------------------------------- 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] [-0.0060 0.0000 0.0080] [ 0.0060 0.0000 -0.0080] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0060 0.0000 0.0080] [ 0.0060 0.0000 -0.0080] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0060 0.0000 0.0080] [ 0.0060 0.0000 -0.0080] 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] [-0.0060 0.0000 0.0080] [ 0.0060 0.0000 -0.0080] 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] [-0.0060 0.0000 0.0080] [ 0.0060 0.0000 -0.0080] 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] [-0.0060 0.0000 0.0080] [ 0.0060 0.0000 -0.0080] 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] [-0.0060 0.0000 0.0080] [ 0.0060 0.0000 -0.0080] 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] [-0.0060 0.0000 0.0080] [ 0.0060 0.0000 -0.0080] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0060 0.0000 0.0080] [ 0.0060 0.0000 -0.0080] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000003 (yyy) 0.00000003 (yyy) 0.00000003 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000002 (xz) 0.00000002 (xz) 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 02:31:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 02:31:14]------------------------- 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 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.256563390163082 0.000000000000000 0.000000000000000 b 0.000000000000000 11.442197510000000 0.000000000000000 c -5.367253797511991 0.000000000000000 7.227834166614409 Atomic positions (fractional): 1 Sr 0.23929701470909 0.90597320949243 0.23541671559974 87.620 2 Sr 0.76070298529091 0.40597320949243 0.26458328440026 87.620 3 Sr 0.23929701470909 0.59402679050757 0.73541671559974 87.620 4 Sr 0.76070298529091 0.09402679050757 0.76458328440026 87.620 5 I 0.30095098152770 0.21845770088581 0.25852797800634 126.904 6 I 0.69904901847230 0.71845770088581 0.24147202199366 126.904 7 I 0.73529783432056 0.07620896748075 0.20982880564784 126.904 8 I 0.26470216567944 0.57620896748075 0.29017119435216 126.904 9 I 0.73529783432056 0.42379103251925 0.70982880564784 126.904 10 I 0.26470216567944 0.92379103251925 0.79017119435216 126.904 11 I 0.30095098152770 0.28154229911419 0.75852797800634 126.904 12 I 0.69904901847230 0.78154229911419 0.74147202199366 126.904 13 O 0.10212906751295 0.11059919385901 0.08986912863101 15.999 14 O 0.40037064083231 0.90657717177581 0.04039053344660 15.999 15 O 0.49174274304473 0.60820854795485 0.08269250542820 15.999 16 O 0.43759193822171 0.25873456668394 0.14837014263940 15.999 17 O 0.56240806177828 0.75873456668394 0.35162985736060 15.999 18 O 0.07175500923750 0.70169419083552 0.20122108311206 15.999 19 O 0.06207898982061 0.45672450988784 0.21792977236058 15.999 20 O 0.50825725695527 0.10820854795485 0.41730749457180 15.999 21 O 0.93792101017939 0.95672450988784 0.28207022763942 15.999 22 O 0.92824499076250 0.20169419083552 0.29877891688794 15.999 23 O 0.59962935916769 0.40657717177581 0.45960946655341 15.999 24 O 0.89787093248705 0.61059919385901 0.41013087136899 15.999 25 O 0.10212906751295 0.38940080614099 0.58986912863102 15.999 26 O 0.40037064083231 0.59342282822419 0.54039053344660 15.999 27 O 0.07175500923750 0.79830580916448 0.70122108311206 15.999 28 O 0.06207898982061 0.04327549011216 0.71792977236058 15.999 29 O 0.49174274304473 0.89179145204515 0.58269250542820 15.999 30 O 0.93792101017939 0.54327549011216 0.78207022763942 15.999 31 O 0.92824499076250 0.29830580916448 0.79877891688794 15.999 32 O 0.43759193822171 0.24126543331606 0.64837014263940 15.999 33 O 0.56240806177828 0.74126543331606 0.85162985736060 15.999 34 O 0.50825725695527 0.39179145204515 0.91730749457180 15.999 35 O 0.59962935916769 0.09342282822419 0.95960946655340 15.999 36 O 0.89787093248705 0.88940080614099 0.91013087136898 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.513126780326164 0.000000000000000 0.000000000000000 b 0.000000000000000 11.442197510000000 0.000000000000000 c -10.734507595023983 0.000000000000000 14.455668333228818 Atomic positions (fractional): 1 Sr 0.11964850735455 0.90597320949243 0.11770835779987 87.620 > 1 2 Sr 0.61964850735455 0.90597320949243 0.11770835779987 87.620 > 1 3 Sr 0.11964850735455 0.90597320949243 0.61770835779987 87.620 > 1 4 Sr 0.61964850735455 0.90597320949243 0.61770835779987 87.620 > 1 5 Sr 0.38035149264545 0.40597320949243 0.13229164220013 87.620 > 5 6 Sr 0.88035149264545 0.40597320949243 0.13229164220013 87.620 > 5 7 Sr 0.38035149264545 0.40597320949243 0.63229164220013 87.620 > 5 8 Sr 0.88035149264545 0.40597320949243 0.63229164220013 87.620 > 5 9 Sr 0.11964850735455 0.59402679050757 0.36770835779987 87.620 > 9 10 Sr 0.61964850735455 0.59402679050757 0.36770835779987 87.620 > 9 11 Sr 0.11964850735455 0.59402679050757 0.86770835779987 87.620 > 9 12 Sr 0.61964850735455 0.59402679050757 0.86770835779987 87.620 > 9 13 Sr 0.38035149264545 0.09402679050757 0.38229164220013 87.620 > 13 14 Sr 0.88035149264545 0.09402679050757 0.38229164220013 87.620 > 13 15 Sr 0.38035149264545 0.09402679050757 0.88229164220013 87.620 > 13 16 Sr 0.88035149264545 0.09402679050757 0.88229164220013 87.620 > 13 17 I 0.15047549076385 0.21845770088581 0.12926398900317 126.904 > 17 18 I 0.65047549076385 0.21845770088581 0.12926398900317 126.904 > 17 19 I 0.15047549076385 0.21845770088581 0.62926398900317 126.904 > 17 20 I 0.65047549076385 0.21845770088581 0.62926398900317 126.904 > 17 21 I 0.34952450923615 0.71845770088581 0.12073601099683 126.904 > 21 22 I 0.84952450923615 0.71845770088581 0.12073601099683 126.904 > 21 23 I 0.34952450923615 0.71845770088581 0.62073601099683 126.904 > 21 24 I 0.84952450923615 0.71845770088581 0.62073601099683 126.904 > 21 25 I 0.36764891716028 0.07620896748075 0.10491440282392 126.904 > 25 26 I 0.86764891716028 0.07620896748075 0.10491440282392 126.904 > 25 27 I 0.36764891716028 0.07620896748075 0.60491440282392 126.904 > 25 28 I 0.86764891716028 0.07620896748075 0.60491440282392 126.904 > 25 29 I 0.13235108283972 0.57620896748075 0.14508559717608 126.904 > 29 30 I 0.63235108283972 0.57620896748075 0.14508559717608 126.904 > 29 31 I 0.13235108283972 0.57620896748075 0.64508559717608 126.904 > 29 32 I 0.63235108283972 0.57620896748075 0.64508559717608 126.904 > 29 33 I 0.36764891716028 0.42379103251925 0.35491440282392 126.904 > 33 34 I 0.86764891716028 0.42379103251925 0.35491440282392 126.904 > 33 35 I 0.36764891716028 0.42379103251925 0.85491440282392 126.904 > 33 36 I 0.86764891716028 0.42379103251925 0.85491440282392 126.904 > 33 37 I 0.13235108283972 0.92379103251925 0.39508559717608 126.904 > 37 38 I 0.63235108283972 0.92379103251925 0.39508559717608 126.904 > 37 39 I 0.13235108283972 0.92379103251925 0.89508559717608 126.904 > 37 40 I 0.63235108283972 0.92379103251925 0.89508559717608 126.904 > 37 41 I 0.15047549076385 0.28154229911419 0.37926398900317 126.904 > 41 42 I 0.65047549076385 0.28154229911419 0.37926398900317 126.904 > 41 43 I 0.15047549076385 0.28154229911419 0.87926398900317 126.904 > 41 44 I 0.65047549076385 0.28154229911419 0.87926398900317 126.904 > 41 45 I 0.34952450923615 0.78154229911419 0.37073601099683 126.904 > 45 46 I 0.84952450923615 0.78154229911419 0.37073601099683 126.904 > 45 47 I 0.34952450923615 0.78154229911419 0.87073601099683 126.904 > 45 48 I 0.84952450923615 0.78154229911419 0.87073601099683 126.904 > 45 49 O 0.05106453375647 0.11059919385901 0.04493456431551 15.999 > 49 50 O 0.55106453375647 0.11059919385901 0.04493456431551 15.999 > 49 51 O 0.05106453375647 0.11059919385901 0.54493456431551 15.999 > 49 52 O 0.55106453375647 0.11059919385901 0.54493456431551 15.999 > 49 53 O 0.20018532041616 0.90657717177581 0.02019526672330 15.999 > 53 54 O 0.70018532041616 0.90657717177581 0.02019526672330 15.999 > 53 55 O 0.20018532041616 0.90657717177581 0.52019526672330 15.999 > 53 56 O 0.70018532041616 0.90657717177581 0.52019526672330 15.999 > 53 57 O 0.24587137152236 0.60820854795485 0.04134625271410 15.999 > 57 58 O 0.74587137152236 0.60820854795485 0.04134625271410 15.999 > 57 59 O 0.24587137152236 0.60820854795485 0.54134625271410 15.999 > 57 60 O 0.74587137152236 0.60820854795485 0.54134625271410 15.999 > 57 61 O 0.21879596911086 0.25873456668394 0.07418507131970 15.999 > 61 62 O 0.71879596911086 0.25873456668394 0.07418507131970 15.999 > 61 63 O 0.21879596911086 0.25873456668394 0.57418507131970 15.999 > 61 64 O 0.71879596911086 0.25873456668394 0.57418507131970 15.999 > 61 65 O 0.28120403088914 0.75873456668394 0.17581492868030 15.999 > 65 66 O 0.78120403088914 0.75873456668394 0.17581492868030 15.999 > 65 67 O 0.28120403088914 0.75873456668394 0.67581492868030 15.999 > 65 68 O 0.78120403088914 0.75873456668394 0.67581492868030 15.999 > 65 69 O 0.03587750461875 0.70169419083552 0.10061054155603 15.999 > 69 70 O 0.53587750461875 0.70169419083552 0.10061054155603 15.999 > 69 71 O 0.03587750461875 0.70169419083552 0.60061054155603 15.999 > 69 72 O 0.53587750461875 0.70169419083552 0.60061054155603 15.999 > 69 73 O 0.03103949491031 0.45672450988784 0.10896488618029 15.999 > 73 74 O 0.53103949491031 0.45672450988784 0.10896488618029 15.999 > 73 75 O 0.03103949491031 0.45672450988784 0.60896488618029 15.999 > 73 76 O 0.53103949491031 0.45672450988784 0.60896488618029 15.999 > 73 77 O 0.25412862847764 0.10820854795485 0.20865374728590 15.999 > 77 78 O 0.75412862847764 0.10820854795485 0.20865374728590 15.999 > 77 79 O 0.25412862847764 0.10820854795485 0.70865374728590 15.999 > 77 80 O 0.75412862847764 0.10820854795485 0.70865374728590 15.999 > 77 81 O 0.46896050508969 0.95672450988784 0.14103511381971 15.999 > 81 82 O 0.96896050508969 0.95672450988784 0.14103511381971 15.999 > 81 83 O 0.46896050508969 0.95672450988784 0.64103511381971 15.999 > 81 84 O 0.96896050508969 0.95672450988784 0.64103511381971 15.999 > 81 85 O 0.46412249538125 0.20169419083552 0.14938945844397 15.999 > 85 86 O 0.96412249538125 0.20169419083552 0.14938945844397 15.999 > 85 87 O 0.46412249538125 0.20169419083552 0.64938945844397 15.999 > 85 88 O 0.96412249538125 0.20169419083552 0.64938945844397 15.999 > 85 89 O 0.29981467958384 0.40657717177581 0.22980473327670 15.999 > 89 90 O 0.79981467958384 0.40657717177581 0.22980473327670 15.999 > 89 91 O 0.29981467958384 0.40657717177581 0.72980473327670 15.999 > 89 92 O 0.79981467958384 0.40657717177581 0.72980473327670 15.999 > 89 93 O 0.44893546624353 0.61059919385901 0.20506543568449 15.999 > 93 94 O 0.94893546624353 0.61059919385901 0.20506543568449 15.999 > 93 95 O 0.44893546624353 0.61059919385901 0.70506543568449 15.999 > 93 96 O 0.94893546624353 0.61059919385901 0.70506543568449 15.999 > 93 97 O 0.05106453375647 0.38940080614099 0.29493456431551 15.999 > 97 98 O 0.55106453375647 0.38940080614099 0.29493456431551 15.999 > 97 99 O 0.05106453375647 0.38940080614099 0.79493456431551 15.999 > 97 100 O 0.55106453375647 0.38940080614099 0.79493456431551 15.999 > 97 101 O 0.20018532041616 0.59342282822419 0.27019526672330 15.999 > 101 102 O 0.70018532041616 0.59342282822419 0.27019526672330 15.999 > 101 103 O 0.20018532041616 0.59342282822419 0.77019526672330 15.999 > 101 104 O 0.70018532041616 0.59342282822419 0.77019526672330 15.999 > 101 105 O 0.03587750461875 0.79830580916448 0.35061054155603 15.999 > 105 106 O 0.53587750461875 0.79830580916448 0.35061054155603 15.999 > 105 107 O 0.03587750461875 0.79830580916448 0.85061054155603 15.999 > 105 108 O 0.53587750461875 0.79830580916448 0.85061054155603 15.999 > 105 109 O 0.03103949491031 0.04327549011216 0.35896488618029 15.999 > 109 110 O 0.53103949491031 0.04327549011216 0.35896488618029 15.999 > 109 111 O 0.03103949491031 0.04327549011216 0.85896488618029 15.999 > 109 112 O 0.53103949491031 0.04327549011216 0.85896488618029 15.999 > 109 113 O 0.24587137152236 0.89179145204515 0.29134625271410 15.999 > 113 114 O 0.74587137152236 0.89179145204515 0.29134625271410 15.999 > 113 115 O 0.24587137152236 0.89179145204515 0.79134625271410 15.999 > 113 116 O 0.74587137152236 0.89179145204515 0.79134625271410 15.999 > 113 117 O 0.46896050508969 0.54327549011216 0.39103511381971 15.999 > 117 118 O 0.96896050508969 0.54327549011216 0.39103511381971 15.999 > 117 119 O 0.46896050508969 0.54327549011216 0.89103511381971 15.999 > 117 120 O 0.96896050508969 0.54327549011216 0.89103511381971 15.999 > 117 121 O 0.46412249538125 0.29830580916448 0.39938945844397 15.999 > 121 122 O 0.96412249538125 0.29830580916448 0.39938945844397 15.999 > 121 123 O 0.46412249538125 0.29830580916448 0.89938945844397 15.999 > 121 124 O 0.96412249538125 0.29830580916448 0.89938945844397 15.999 > 121 125 O 0.21879596911086 0.24126543331606 0.32418507131970 15.999 > 125 126 O 0.71879596911086 0.24126543331606 0.32418507131970 15.999 > 125 127 O 0.21879596911086 0.24126543331606 0.82418507131970 15.999 > 125 128 O 0.71879596911086 0.24126543331606 0.82418507131970 15.999 > 125 129 O 0.28120403088914 0.74126543331606 0.42581492868030 15.999 > 129 130 O 0.78120403088914 0.74126543331606 0.42581492868030 15.999 > 129 131 O 0.28120403088914 0.74126543331606 0.92581492868030 15.999 > 129 132 O 0.78120403088914 0.74126543331606 0.92581492868030 15.999 > 129 133 O 0.25412862847764 0.39179145204515 0.45865374728590 15.999 > 133 134 O 0.75412862847764 0.39179145204515 0.45865374728590 15.999 > 133 135 O 0.25412862847764 0.39179145204515 0.95865374728590 15.999 > 133 136 O 0.75412862847764 0.39179145204515 0.95865374728590 15.999 > 133 137 O 0.29981467958384 0.09342282822419 0.47980473327670 15.999 > 137 138 O 0.79981467958384 0.09342282822419 0.47980473327670 15.999 > 137 139 O 0.29981467958384 0.09342282822419 0.97980473327670 15.999 > 137 140 O 0.79981467958384 0.09342282822419 0.97980473327670 15.999 > 137 141 O 0.44893546624353 0.88940080614099 0.45506543568449 15.999 > 141 142 O 0.94893546624353 0.88940080614099 0.45506543568449 15.999 > 141 143 O 0.44893546624353 0.88940080614099 0.95506543568449 15.999 > 141 144 O 0.94893546624353 0.88940080614099 0.95506543568449 15.999 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.5473916 0.0000000 0.1844635 0.0000000 3.7507711 0.0000000 0.1844627 0.0000000 3.6272257 -------------------------- Born effective charges -------------------------- 1 Sr 2.6243138 -0.2227218 0.1693422 -0.1939977 2.9819395 -0.1030284 -0.0612065 -0.1917412 2.7021233 2 Sr 2.6243138 0.2227218 0.1693422 0.1939977 2.9819395 0.1030284 -0.0612065 0.1917412 2.7021233 3 Sr 2.6243138 0.2227218 0.1693422 0.1939977 2.9819395 0.1030284 -0.0612065 0.1917412 2.7021233 4 Sr 2.6243138 -0.2227218 0.1693422 -0.1939977 2.9819395 -0.1030284 -0.0612065 -0.1917412 2.7021233 5 I 3.7218265 0.7023314 -0.1551451 0.5698266 3.3336244 0.3648880 0.1967171 0.5333666 3.5818670 6 I 3.7218265 -0.7023314 -0.1551451 -0.5698266 3.3336244 -0.3648880 0.1967171 -0.5333666 3.5818670 7 I 2.9060555 -0.2253762 0.8892359 -0.1810054 3.8040539 0.1301863 0.5466466 0.4922115 3.5487600 8 I 2.9060555 0.2253762 0.8892359 0.1810054 3.8040539 -0.1301863 0.5466466 -0.4922115 3.5487600 9 I 2.9060555 0.2253762 0.8892359 0.1810054 3.8040539 -0.1301863 0.5466466 -0.4922115 3.5487600 10 I 2.9060555 -0.2253762 0.8892359 -0.1810054 3.8040539 0.1301863 0.5466466 0.4922115 3.5487600 11 I 3.7218265 -0.7023314 -0.1551451 -0.5698266 3.3336244 -0.3648880 0.1967171 -0.5333666 3.5818670 12 I 3.7218265 0.7023314 -0.1551451 0.5698266 3.3336244 0.3648880 0.1967171 0.5333666 3.5818670 13 O -1.2395418 -0.6304118 -0.6345387 -0.1706411 -1.6848324 -0.4338407 -0.3376577 -0.7168868 -1.8093371 14 O -1.1514555 -0.1185067 -0.4448082 -0.1402732 -1.4634419 0.0864798 0.1840144 0.1388233 -2.6380453 15 O -1.0874010 -0.1604538 0.0557003 -0.2997900 -1.5014184 -0.2411803 -0.1924263 -0.6459637 -1.9558765 16 O -2.4642013 0.0317265 0.5152087 -0.4540594 -1.3500344 0.2206180 0.5793288 -0.0936786 -1.2998982 17 O -2.4642013 -0.0317265 0.5152087 0.4540594 -1.3500344 -0.2206180 0.5793288 0.0936786 -1.2998982 18 O -1.6485969 0.4028309 -0.2580205 0.6275221 -2.0819580 0.3712453 -0.4695032 0.7522130 -1.0590328 19 O -1.6609993 -0.3840008 -0.1369747 -0.9307403 -2.0379327 -0.3810996 -0.4459133 -0.4228034 -1.0705603 20 O -1.0874010 0.1604538 0.0557003 0.2997900 -1.5014184 0.2411803 -0.1924263 0.6459637 -1.9558765 21 O -1.6609993 0.3840008 -0.1369747 0.9307403 -2.0379327 0.3810996 -0.4459133 0.4228034 -1.0705603 22 O -1.6485969 -0.4028309 -0.2580205 -0.6275221 -2.0819580 -0.3712453 -0.4695032 -0.7522130 -1.0590328 23 O -1.1514555 0.1185067 -0.4448082 0.1402732 -1.4634419 -0.0864798 0.1840144 -0.1388233 -2.6380453 24 O -1.2395418 0.6304118 -0.6345387 0.1706411 -1.6848324 0.4338407 -0.3376577 0.7168868 -1.8093371 25 O -1.2395418 0.6304118 -0.6345387 0.1706411 -1.6848324 0.4338407 -0.3376577 0.7168868 -1.8093371 26 O -1.1514555 0.1185067 -0.4448082 0.1402732 -1.4634419 -0.0864798 0.1840144 -0.1388233 -2.6380453 27 O -1.6485969 -0.4028309 -0.2580205 -0.6275221 -2.0819580 -0.3712453 -0.4695032 -0.7522130 -1.0590328 28 O -1.6609993 0.3840008 -0.1369747 0.9307403 -2.0379327 0.3810996 -0.4459133 0.4228034 -1.0705603 29 O -1.0874010 0.1604538 0.0557003 0.2997900 -1.5014184 0.2411803 -0.1924263 0.6459637 -1.9558765 30 O -1.6609993 -0.3840008 -0.1369747 -0.9307403 -2.0379327 -0.3810996 -0.4459133 -0.4228034 -1.0705603 31 O -1.6485969 0.4028309 -0.2580205 0.6275221 -2.0819580 0.3712453 -0.4695032 0.7522130 -1.0590328 32 O -2.4642013 -0.0317265 0.5152087 0.4540594 -1.3500344 -0.2206180 0.5793288 0.0936786 -1.2998982 33 O -2.4642013 0.0317265 0.5152087 -0.4540594 -1.3500344 0.2206180 0.5793288 -0.0936786 -1.2998982 34 O -1.0874010 -0.1604538 0.0557003 -0.2997900 -1.5014184 -0.2411803 -0.1924263 -0.6459637 -1.9558765 35 O -1.1514555 -0.1185067 -0.4448082 -0.1402732 -1.4634419 0.0864798 0.1840144 0.1388233 -2.6380453 36 O -1.2395418 -0.6304118 -0.6345387 -0.1706411 -1.6848324 -0.4338407 -0.3376577 -0.7168868 -1.8093371 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000003 (yyy) 0.00000003 (yyy) 0.00000003 (yyy) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 4 7 ] 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: 0.49, Number of G-points: 315, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/96) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.349 ( 0.000 0.000 0.000) 0.000 1.408 ( 0.000 0.000 0.000) 0.000 1.622 ( 0.000 0.000 0.000) 0.000 1.730 ( 0.000 0.000 0.000) 0.000 1.840 ( 0.000 0.000 0.000) 0.000 1.889 ( 0.000 0.000 0.000) 0.000 1.964 ( 0.000 0.000 0.000) 0.000 2.021 ( 0.000 0.000 0.000) 0.000 2.161 ( 0.000 0.000 0.000) 0.000 2.277 ( 0.000 0.000 0.000) 0.000 2.307 ( 0.000 0.000 0.000) 0.000 2.414 ( 0.000 0.000 0.000) 0.000 2.496 ( 0.000 0.000 0.000) 0.000 2.689 ( 0.000 0.000 0.000) 0.000 2.715 ( 0.000 0.000 0.000) 0.000 2.831 ( 0.000 0.000 0.000) 0.000 2.945 ( 0.000 0.000 0.000) 0.000 2.962 ( 0.000 0.000 0.000) 0.000 2.999 ( 0.000 0.000 0.000) 0.000 3.071 ( 0.000 0.000 0.000) 0.000 3.292 ( 0.000 0.000 0.000) 0.000 3.330 ( 0.000 0.000 0.000) 0.000 3.497 ( 0.000 0.000 0.000) 0.000 3.626 ( 0.000 0.000 0.000) 0.000 3.670 ( 0.000 0.000 0.000) 0.000 3.771 ( 0.000 0.000 0.000) 0.000 3.907 ( 0.000 0.000 0.000) 0.000 4.081 ( 0.000 0.000 0.000) 0.000 4.110 ( 0.000 0.000 0.000) 0.000 4.126 ( 0.000 0.000 0.000) 0.000 4.184 ( 0.000 0.000 0.000) 0.000 4.185 ( 0.000 0.000 0.000) 0.000 4.401 ( 0.000 0.000 0.000) 0.000 4.414 ( 0.000 0.000 0.000) 0.000 4.453 ( 0.000 0.000 0.000) 0.000 4.476 ( 0.000 0.000 0.000) 0.000 4.766 ( 0.000 0.000 0.000) 0.000 4.952 ( 0.000 0.000 0.000) 0.000 4.998 ( 0.000 0.000 0.000) 0.000 5.072 ( 0.000 0.000 0.000) 0.000 5.081 ( 0.000 0.000 0.000) 0.000 5.126 ( 0.000 0.000 0.000) 0.000 5.260 ( 0.000 0.000 0.000) 0.000 5.448 ( 0.000 0.000 0.000) 0.000 5.497 ( 0.000 0.000 0.000) 0.000 5.605 ( 0.000 0.000 0.000) 0.000 5.755 ( 0.000 0.000 0.000) 0.000 6.190 ( 0.000 0.000 0.000) 0.000 6.210 ( 0.000 0.000 0.000) 0.000 6.232 ( 0.000 0.000 0.000) 0.000 6.318 ( 0.000 0.000 0.000) 0.000 6.334 ( 0.000 0.000 0.000) 0.000 6.492 ( 0.000 0.000 0.000) 0.000 6.531 ( 0.000 0.000 0.000) 0.000 6.666 ( 0.000 0.000 0.000) 0.000 6.834 ( 0.000 0.000 0.000) 0.000 6.918 ( 0.000 0.000 0.000) 0.000 8.463 ( 0.000 0.000 0.000) 0.000 8.665 ( 0.000 0.000 0.000) 0.000 8.741 ( 0.000 0.000 0.000) 0.000 8.802 ( 0.000 0.000 0.000) 0.000 9.017 ( 0.000 0.000 0.000) 0.000 9.266 ( 0.000 0.000 0.000) 0.000 9.268 ( 0.000 0.000 0.000) 0.000 9.292 ( 0.000 0.000 0.000) 0.000 9.455 ( 0.000 0.000 0.000) 0.000 9.751 ( 0.000 0.000 0.000) 0.000 9.815 ( 0.000 0.000 0.000) 0.000 9.965 ( 0.000 0.000 0.000) 0.000 10.113 ( 0.000 0.000 0.000) 0.000 10.179 ( 0.000 0.000 0.000) 0.000 10.203 ( 0.000 0.000 0.000) 0.000 10.444 ( 0.000 0.000 0.000) 0.000 11.194 ( 0.000 0.000 0.000) 0.000 11.206 ( 0.000 0.000 0.000) 0.000 11.219 ( 0.000 0.000 0.000) 0.000 11.291 ( 0.000 0.000 0.000) 0.000 11.873 ( 0.000 0.000 0.000) 0.000 12.070 ( 0.000 0.000 0.000) 0.000 12.110 ( 0.000 0.000 0.000) 0.000 12.204 ( 0.000 0.000 0.000) 0.000 20.232 ( 0.000 0.000 0.000) 0.000 20.256 ( 0.000 0.000 0.000) 0.000 20.391 ( 0.000 0.000 0.000) 0.000 20.777 ( 0.000 0.000 0.000) 0.000 21.412 ( 0.000 0.000 0.000) 0.000 21.456 ( 0.000 0.000 0.000) 0.000 22.008 ( 0.000 0.000 0.000) 0.000 22.127 ( 0.000 0.000 0.000) 0.000 22.140 ( 0.000 0.000 0.000) 0.000 22.198 ( 0.000 0.000 0.000) 0.000 22.281 ( 0.000 0.000 0.000) 0.000 22.299 ( 0.000 0.000 0.000) 0.000 22.492 ( 0.000 0.000 0.000) 0.000 22.589 ( 0.000 0.000 0.000) 0.000 22.784 ( 0.000 0.000 0.000) 0.000 22.811 ( 0.000 0.000 0.000) 0.000 23.107 ( 0.000 0.000 0.000) 0.000 23.220 ( 0.000 0.000 0.000) 0.000 23.233 ( 0.000 0.000 0.000) 0.000 23.282 ( 0.000 0.000 0.000) 0.000 23.794 ( 0.000 0.000 0.000) 0.000 23.938 ( 0.000 0.000 0.000) 0.000 24.010 ( 0.000 0.000 0.000) 0.000 24.426 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/96) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.344 ( 19.370 0.000 3.067) 19.611 0.445 ( 19.154 0.000 12.122) 22.667 0.682 ( 23.950 0.000 24.327) 34.138 1.397 ( -2.332 0.000 8.480) 8.795 1.479 ( 2.812 0.000 6.387) 6.979 1.635 ( 1.456 0.000 1.730) 2.262 1.696 ( -0.908 0.000 -7.259) 7.316 1.841 ( -2.970 0.000 5.466) 6.221 1.941 ( -1.260 0.000 3.152) 3.395 1.999 ( -1.747 0.000 1.993) 2.650 2.088 ( 3.207 0.000 3.835) 4.999 2.162 ( 3.702 0.000 -4.698) 5.982 2.272 ( -2.332 0.000 -0.277) 2.349 2.299 ( 2.582 0.000 -0.378) 2.610 2.341 ( -2.402 0.000 -3.955) 4.627 2.584 ( 1.221 0.000 3.671) 3.869 2.690 ( -0.221 0.000 -0.335) 0.401 2.725 ( 1.230 0.000 -0.458) 1.313 2.856 ( -1.984 0.000 4.791) 5.186 2.940 ( 2.624 0.000 -2.979) 3.969 2.965 ( 1.893 0.000 -2.933) 3.491 3.048 ( 2.372 0.000 5.107) 5.632 3.119 ( -0.102 0.000 6.600) 6.601 3.223 ( -3.534 0.000 -4.223) 5.506 3.340 ( -0.523 0.000 1.316) 1.416 3.445 ( -7.892 0.000 2.867) 8.397 3.540 ( -8.844 0.000 -1.959) 9.058 3.691 ( -1.579 0.000 7.624) 7.786 3.810 ( 2.440 0.000 -2.417) 3.434 3.831 ( -5.823 0.000 -2.469) 6.325 4.065 ( -6.291 0.000 0.255) 6.296 4.069 ( -3.150 0.000 2.429) 3.978 4.177 ( 7.030 0.000 -1.030) 7.105 4.210 ( 1.990 0.000 -0.688) 2.105 4.284 ( 6.222 0.000 -1.302) 6.357 4.390 ( 2.331 0.000 -0.230) 2.342 4.432 ( 3.287 0.000 -0.056) 3.288 4.494 ( -1.174 0.000 0.571) 1.306 4.545 ( 6.444 0.000 4.484) 7.850 4.739 ( -1.231 0.000 -4.212) 4.388 4.888 ( -0.348 0.000 -5.817) 5.828 5.002 ( -0.496 0.000 -2.064) 2.123 5.064 ( -1.558 0.000 -0.804) 1.753 5.117 ( 2.087 0.000 -1.227) 2.421 5.191 ( 6.215 0.000 6.352) 8.887 5.213 ( -3.208 0.000 -8.617) 9.194 5.442 ( -1.510 0.000 0.599) 1.625 5.521 ( 1.189 0.000 0.871) 1.474 5.585 ( -2.152 0.000 0.237) 2.165 6.019 ( -9.349 0.000 -3.379) 9.941 6.118 ( -0.988 0.000 -6.853) 6.924 6.144 ( -6.661 0.000 -2.587) 7.146 6.243 ( -1.877 0.000 -3.994) 4.412 6.345 ( -3.077 0.000 4.501) 5.452 6.383 ( 4.595 0.000 7.025) 8.395 6.599 ( 3.628 0.000 7.806) 8.608 6.667 ( 0.054 0.000 0.252) 0.257 6.832 ( 0.484 0.000 -0.752) 0.895 6.933 ( 1.688 0.000 -0.144) 1.694 6.951 ( -15.194 0.000 14.162) 20.771 8.461 ( -0.845 0.000 0.908) 1.240 8.631 ( -0.625 0.000 -4.322) 4.367 8.724 ( 0.150 0.000 -3.160) 3.164 8.837 ( -0.949 0.000 1.427) 1.714 9.118 ( -0.915 0.000 7.162) 7.220 9.259 ( -0.921 0.000 0.063) 0.923 9.289 ( 0.059 0.000 -0.567) 0.570 9.329 ( 5.282 0.000 3.366) 6.263 9.452 ( 0.326 0.000 -1.121) 1.167 9.712 ( -2.279 0.000 -1.633) 2.803 9.937 ( -1.147 0.000 -3.128) 3.332 10.119 ( 1.038 0.000 -1.036) 1.467 10.212 ( 0.473 0.000 5.286) 5.307 10.246 ( 32.531 0.000 -40.009) 51.565 10.315 ( 8.918 0.000 3.789) 9.690 10.454 ( 1.954 0.000 0.153) 1.960 11.184 ( -1.572 0.000 0.199) 1.584 11.217 ( -0.509 0.000 0.460) 0.686 11.299 ( 0.746 0.000 0.054) 0.748 11.504 ( 0.720 0.000 -6.764) 6.803 11.898 ( 0.198 0.000 3.479) 3.485 12.070 ( -0.230 0.000 0.214) 0.314 12.122 ( 3.917 0.000 -6.272) 7.395 12.197 ( -0.376 0.000 -0.558) 0.673 20.227 ( 0.478 0.000 -1.395) 1.474 20.263 ( 1.354 0.000 -0.786) 1.566 20.767 ( -2.897 0.000 2.443) 3.790 20.853 ( -20.896 0.000 26.102) 33.436 21.443 ( 6.978 0.000 -10.079) 12.259 21.464 ( 0.830 0.000 0.191) 0.851 21.965 ( -3.270 0.000 -1.665) 3.670 22.147 ( 2.253 0.000 -0.886) 2.420 22.204 ( 0.726 0.000 0.029) 0.727 22.242 ( -2.374 0.000 -1.841) 3.004 22.379 ( 6.955 0.000 1.311) 7.077 22.534 ( 1.968 0.000 3.110) 3.680 22.538 ( -2.633 0.000 -4.449) 5.170 22.800 ( -1.499 0.000 4.862) 5.088 22.828 ( -0.325 0.000 2.894) 2.912 22.949 ( -1.978 0.000 1.163) 2.294 23.116 ( 2.009 0.000 -1.353) 2.422 23.214 ( -1.169 0.000 0.834) 1.436 23.277 ( 2.861 0.000 3.225) 4.311 23.788 ( -0.744 0.000 -0.051) 0.746 23.910 ( 1.082 0.000 -5.988) 6.085 24.016 ( -1.286 0.000 3.408) 3.643 24.175 ( -15.678 0.000 19.583) 25.086 24.400 ( -3.064 0.000 -0.433) 3.095 ======================= Grid point 2 (3/96) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.641 ( 16.594 0.000 -0.427) 16.599 0.851 ( 17.078 0.000 10.037) 19.809 1.231 ( 17.653 0.000 12.226) 21.473 1.383 ( -7.942 0.000 1.957) 8.179 1.555 ( -1.933 0.000 -11.295) 11.459 1.581 ( 2.855 0.000 5.069) 5.817 1.735 ( 4.948 0.000 5.634) 7.498 1.912 ( -1.062 0.000 11.562) 11.611 1.977 ( 0.324 0.000 2.971) 2.988 2.018 ( 1.311 0.000 2.868) 3.153 2.163 ( 2.464 0.000 -3.093) 3.955 2.172 ( 4.603 0.000 -4.154) 6.200 2.270 ( 1.343 0.000 6.917) 7.046 2.304 ( 0.518 0.000 1.563) 1.647 2.361 ( 0.109 0.000 4.370) 4.371 2.580 ( 3.918 0.000 -9.579) 10.350 2.709 ( -2.913 0.000 6.226) 6.873 2.758 ( 3.106 0.000 1.709) 3.545 2.890 ( -0.606 0.000 4.492) 4.533 2.938 ( -0.303 0.000 -2.127) 2.149 2.942 ( 2.196 0.000 -5.436) 5.863 3.151 ( -2.944 0.000 1.451) 3.282 3.159 ( 2.815 0.000 5.891) 6.529 3.208 ( 0.737 0.000 6.299) 6.342 3.310 ( -6.282 0.000 3.975) 7.434 3.380 ( -9.370 0.000 -0.667) 9.394 3.384 ( -5.210 0.000 5.459) 7.546 3.699 ( -4.241 0.000 0.330) 4.254 3.708 ( -6.253 0.000 -1.912) 6.539 3.809 ( -0.364 0.000 0.883) 0.955 4.014 ( -1.950 0.000 2.033) 2.817 4.023 ( -3.932 0.000 1.247) 4.125 4.246 ( 2.327 0.000 0.741) 2.442 4.263 ( 5.818 0.000 -2.030) 6.162 4.358 ( 5.425 0.000 -0.923) 5.503 4.439 ( -2.902 0.000 -2.026) 3.539 4.480 ( 2.526 0.000 0.361) 2.552 4.491 ( 5.156 0.000 3.089) 6.011 4.657 ( -2.550 0.000 -1.409) 2.913 4.730 ( 7.435 0.000 4.694) 8.792 4.833 ( 1.875 0.000 -5.618) 5.923 4.959 ( -0.452 0.000 -3.376) 3.406 5.029 ( -0.197 0.000 -1.641) 1.652 5.051 ( -5.828 0.000 -6.327) 8.602 5.125 ( 1.677 0.000 -2.380) 2.911 5.337 ( 2.727 0.000 2.631) 3.789 5.409 ( -3.001 0.000 0.132) 3.004 5.533 ( -0.594 0.000 0.417) 0.726 5.581 ( -0.059 0.000 3.490) 3.490 5.837 ( -7.647 0.000 -5.673) 9.521 5.998 ( -6.358 0.000 -3.274) 7.151 6.013 ( -3.043 0.000 -6.161) 6.871 6.211 ( 1.099 0.000 0.263) 1.130 6.300 ( -7.265 0.000 1.780) 7.480 6.490 ( 0.353 0.000 2.812) 2.834 6.687 ( 0.955 0.000 2.770) 2.930 6.699 ( -1.093 0.000 3.815) 3.969 6.856 ( 3.026 0.000 1.652) 3.447 6.872 ( -4.460 0.000 -0.148) 4.462 6.951 ( 1.208 0.000 -0.971) 1.549 8.457 ( -1.393 0.000 1.401) 1.976 8.567 ( -0.577 0.000 -4.780) 4.814 8.675 ( -0.209 0.000 -5.236) 5.240 8.830 ( -2.623 0.000 1.973) 3.282 9.210 ( 2.626 0.000 6.393) 6.911 9.251 ( -0.701 0.000 0.911) 1.149 9.283 ( 0.436 0.000 -1.041) 1.129 9.440 ( 0.343 0.000 -1.853) 1.884 9.482 ( 7.006 0.000 5.870) 9.140 9.676 ( -0.606 0.000 -0.708) 0.932 9.868 ( -2.535 0.000 -3.493) 4.316 10.108 ( -0.256 0.000 -2.244) 2.259 10.299 ( 13.480 0.000 -9.607) 16.553 10.323 ( 9.796 0.000 -3.223) 10.312 10.428 ( 2.185 0.000 0.897) 2.362 10.590 ( 12.071 0.000 3.578) 12.590 11.145 ( -3.848 0.000 0.028) 3.848 11.212 ( -0.908 0.000 0.459) 1.017 11.304 ( -0.086 0.000 -0.448) 0.456 11.423 ( -1.856 0.000 -5.412) 5.722 11.942 ( -0.286 0.000 3.751) 3.761 12.066 ( -0.511 0.000 0.141) 0.530 12.114 ( 2.419 0.000 -3.348) 4.130 12.182 ( -0.480 0.000 -0.777) 0.913 20.220 ( 1.396 0.000 -2.030) 2.463 20.275 ( 1.855 0.000 -1.601) 2.450 20.753 ( -3.824 0.000 4.580) 5.966 20.819 ( -11.341 0.000 11.418) 16.093 21.432 ( 2.392 0.000 -4.457) 5.058 21.480 ( 0.847 0.000 0.260) 0.886 21.903 ( -2.166 0.000 -1.094) 2.426 22.148 ( 0.172 0.000 -4.319) 4.322 22.221 ( 1.311 0.000 0.164) 1.322 22.234 ( 1.735 0.000 3.317) 3.743 22.430 ( -3.924 0.000 -4.969) 6.332 22.489 ( 6.096 0.000 -0.586) 6.124 22.596 ( 1.926 0.000 2.094) 2.845 22.846 ( -2.010 0.000 3.244) 3.816 22.847 ( -1.554 0.000 7.064) 7.233 22.936 ( 0.160 0.000 -1.000) 1.013 23.120 ( 0.928 0.000 -2.892) 3.037 23.224 ( 0.516 0.000 3.258) 3.299 23.376 ( 3.751 0.000 4.643) 5.969 23.771 ( -1.403 0.000 -0.144) 1.410 23.846 ( -0.318 0.000 -5.767) 5.776 24.041 ( -1.087 0.000 4.009) 4.154 24.153 ( -7.756 0.000 8.316) 11.372 24.327 ( -5.072 0.000 -1.066) 5.183 ======================= Grid point 3 (4/96) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.821 ( 10.403 0.000 -4.429) 11.306 1.148 ( 4.054 0.000 1.713) 4.401 1.284 ( 1.984 0.000 2.926) 3.535 1.402 ( -2.744 0.000 -8.456) 8.890 1.435 ( 1.015 0.000 4.397) 4.513 1.768 ( 13.272 0.000 1.998) 13.421 1.842 ( 1.018 0.000 0.999) 1.426 1.981 ( -2.134 0.000 4.775) 5.230 2.015 ( 3.039 0.000 -0.417) 3.067 2.098 ( 3.343 0.000 0.891) 3.459 2.158 ( 3.787 0.000 -1.266) 3.993 2.234 ( 4.568 0.000 3.399) 5.694 2.351 ( -5.628 0.000 2.038) 5.985 2.411 ( 3.307 0.000 7.243) 7.962 2.412 ( 5.719 0.000 7.601) 9.512 2.536 ( 6.222 0.000 -10.047) 11.818 2.710 ( -6.403 0.000 5.852) 8.674 2.818 ( 2.970 0.000 -0.855) 3.090 2.871 ( -2.600 0.000 -1.247) 2.884 2.933 ( -2.436 0.000 3.167) 3.995 2.972 ( 4.222 0.000 1.034) 4.346 3.156 ( -1.521 0.000 3.404) 3.728 3.201 ( -3.941 0.000 1.095) 4.090 3.247 ( -2.594 0.000 3.646) 4.475 3.265 ( -2.398 0.000 4.325) 4.945 3.322 ( -3.339 0.000 5.493) 6.428 3.387 ( -1.755 0.000 4.263) 4.610 3.604 ( -3.968 0.000 -4.349) 5.887 3.620 ( -4.197 0.000 1.357) 4.411 3.804 ( -3.240 0.000 3.608) 4.849 4.006 ( -1.084 0.000 1.485) 1.839 4.041 ( 0.964 0.000 3.054) 3.203 4.263 ( -1.449 0.000 -1.468) 2.063 4.297 ( 1.869 0.000 -2.075) 2.792 4.378 ( 0.160 0.000 -0.951) 0.964 4.424 ( 3.989 0.000 -0.434) 4.013 4.514 ( 0.894 0.000 0.248) 0.928 4.603 ( 5.266 0.000 1.607) 5.506 4.632 ( 1.184 0.000 0.874) 1.471 4.815 ( 2.765 0.000 -4.460) 5.248 4.844 ( 0.997 0.000 -0.229) 1.023 4.903 ( -4.985 0.000 -1.869) 5.324 4.926 ( 1.049 0.000 -2.808) 2.998 5.087 ( 8.664 0.000 0.839) 8.705 5.089 ( -4.562 0.000 -0.963) 4.662 5.345 ( -1.548 0.000 -0.825) 1.754 5.362 ( -1.594 0.000 -0.706) 1.743 5.521 ( -1.267 0.000 0.496) 1.361 5.629 ( 1.527 0.000 1.323) 2.021 5.658 ( -7.203 0.000 -5.541) 9.088 5.884 ( -4.515 0.000 -6.317) 7.764 5.900 ( -3.269 0.000 -1.135) 3.460 6.183 ( -8.543 0.000 0.338) 8.550 6.300 ( 5.432 0.000 5.860) 7.991 6.461 ( -3.330 0.000 -1.490) 3.648 6.666 ( -3.459 0.000 -1.338) 3.708 6.741 ( 0.072 0.000 3.300) 3.301 6.837 ( 2.124 0.000 -2.461) 3.251 6.922 ( -0.391 0.000 2.521) 2.551 6.953 ( 2.257 0.000 -1.597) 2.765 8.450 ( -1.328 0.000 1.053) 1.695 8.514 ( -0.250 0.000 -3.221) 3.231 8.611 ( -0.369 0.000 -4.493) 4.508 8.804 ( -2.861 0.000 1.089) 3.061 9.259 ( -0.125 0.000 1.330) 1.336 9.279 ( 0.623 0.000 -1.011) 1.187 9.332 ( 4.020 0.000 5.360) 6.700 9.425 ( 0.369 0.000 -1.499) 1.543 9.652 ( 5.703 0.000 5.972) 8.257 9.671 ( 0.426 0.000 -0.232) 0.485 9.788 ( -2.985 0.000 -2.737) 4.050 10.061 ( -1.367 0.000 -3.634) 3.882 10.413 ( 13.421 0.000 -6.567) 14.941 10.445 ( 6.183 0.000 1.952) 6.483 10.472 ( 2.291 0.000 1.427) 2.699 10.810 ( 11.121 0.000 2.384) 11.374 11.064 ( -6.407 0.000 -0.314) 6.415 11.198 ( -1.283 0.000 -0.074) 1.286 11.279 ( -2.199 0.000 -0.993) 2.413 11.334 ( -2.367 0.000 -3.993) 4.642 11.971 ( -0.291 0.000 2.202) 2.222 12.059 ( -0.532 0.000 0.001) 0.532 12.121 ( 1.634 0.000 -1.153) 2.000 12.168 ( -0.319 0.000 -0.596) 0.676 20.226 ( 2.141 0.000 -1.702) 2.735 20.280 ( 1.334 0.000 -1.788) 2.231 20.758 ( -2.670 0.000 4.858) 5.544 20.770 ( -7.423 0.000 5.470) 9.221 21.417 ( 0.706 0.000 -2.220) 2.329 21.492 ( 0.310 0.000 0.236) 0.390 21.880 ( -0.088 0.000 0.158) 0.181 22.095 ( -1.407 0.000 -2.561) 2.922 22.244 ( 1.327 0.000 0.237) 1.348 22.317 ( 3.449 0.000 2.713) 4.389 22.320 ( -3.385 0.000 -3.838) 5.117 22.546 ( 2.934 0.000 -1.392) 3.248 22.641 ( 1.601 0.000 1.365) 2.104 22.847 ( -1.970 0.000 2.534) 3.209 22.893 ( -1.289 0.000 4.092) 4.290 22.927 ( 0.566 0.000 -1.699) 1.791 23.082 ( -1.062 0.000 -2.661) 2.865 23.304 ( 3.118 0.000 4.773) 5.701 23.483 ( 3.105 0.000 4.434) 5.413 23.744 ( -1.540 0.000 -0.285) 1.567 23.779 ( -0.847 0.000 -4.228) 4.312 24.067 ( -1.038 0.000 3.071) 3.242 24.133 ( -3.568 0.000 3.732) 5.163 24.230 ( -5.155 0.000 -1.567) 5.388 ======================= Grid point 4 (5/96) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.877 ( 3.064 0.000 -2.638) 4.043 1.065 ( -3.939 0.000 -1.635) 4.265 1.287 ( -0.614 0.000 -4.648) 4.689 1.480 ( 0.413 0.000 2.093) 2.133 1.525 ( 11.193 0.000 7.452) 13.447 1.750 ( -8.397 0.000 -4.642) 9.595 1.925 ( 4.568 0.000 0.500) 4.595 1.990 ( -0.065 0.000 0.259) 0.267 2.088 ( 6.551 0.000 -1.498) 6.720 2.126 ( 1.115 0.000 -0.489) 1.217 2.223 ( 0.618 0.000 1.995) 2.088 2.274 ( -4.110 0.000 0.394) 4.129 2.327 ( 1.520 0.000 2.390) 2.832 2.498 ( 1.329 0.000 1.896) 2.315 2.533 ( 5.225 0.000 -3.599) 6.345 2.612 ( 8.119 0.000 1.619) 8.279 2.665 ( -4.767 0.000 4.151) 6.321 2.816 ( -5.823 0.000 0.249) 5.828 2.862 ( 2.422 0.000 0.557) 2.485 2.901 ( -2.396 0.000 0.907) 2.562 3.008 ( -0.305 0.000 -0.169) 0.349 3.135 ( -1.870 0.000 0.557) 1.951 3.189 ( 0.808 0.000 0.611) 1.013 3.232 ( -0.043 0.000 0.231) 0.235 3.286 ( -3.912 0.000 0.533) 3.948 3.358 ( -0.175 0.000 6.072) 6.075 3.409 ( -0.424 0.000 1.727) 1.778 3.527 ( 0.099 0.000 -1.532) 1.535 3.603 ( -1.183 0.000 1.525) 1.931 3.776 ( -3.185 0.000 -0.111) 3.187 4.040 ( 2.253 0.000 4.277) 4.835 4.082 ( 0.445 0.000 1.220) 1.299 4.166 ( -3.828 0.000 -5.679) 6.849 4.297 ( 0.601 0.000 -0.608) 0.855 4.419 ( 1.232 0.000 2.384) 2.683 4.479 ( 2.928 0.000 0.856) 3.050 4.512 ( -0.781 0.000 0.059) 0.783 4.667 ( -1.352 0.000 0.842) 1.593 4.700 ( 6.242 0.000 0.728) 6.284 4.793 ( -0.872 0.000 -3.332) 3.444 4.805 ( 4.072 0.000 -3.004) 5.060 4.871 ( -3.788 0.000 1.453) 4.058 4.923 ( 1.022 0.000 -1.031) 1.452 4.990 ( -5.226 0.000 -0.234) 5.231 5.257 ( 9.470 0.000 1.934) 9.666 5.297 ( -1.971 0.000 -0.421) 2.016 5.351 ( 0.084 0.000 -0.750) 0.755 5.460 ( -7.670 0.000 -2.486) 8.063 5.562 ( 1.119 0.000 0.951) 1.468 5.671 ( 2.128 0.000 0.738) 2.252 5.743 ( -4.316 0.000 -4.835) 6.481 5.854 ( -1.654 0.000 -0.570) 1.749 6.084 ( -3.797 0.000 0.218) 3.804 6.400 ( -1.567 0.000 -1.286) 2.027 6.453 ( 4.107 0.000 4.814) 6.328 6.598 ( -2.223 0.000 -1.647) 2.767 6.756 ( -0.267 0.000 0.495) 0.562 6.859 ( 1.554 0.000 -0.300) 1.583 6.900 ( -1.485 0.000 -0.782) 1.678 6.977 ( 0.882 0.000 -0.102) 0.888 8.443 ( -0.511 0.000 0.319) 0.603 8.487 ( -0.035 0.000 -1.086) 1.087 8.571 ( -0.150 0.000 -1.598) 1.605 8.778 ( -1.240 0.000 0.268) 1.268 9.268 ( 0.025 0.000 0.253) 0.254 9.281 ( 0.279 0.000 -0.034) 0.282 9.418 ( 0.192 0.000 -0.562) 0.594 9.433 ( 2.359 0.000 2.568) 3.487 9.676 ( 0.284 0.000 -0.096) 0.300 9.711 ( -1.496 0.000 -1.389) 2.042 9.790 ( 2.541 0.000 3.614) 4.418 9.994 ( -1.532 0.000 -2.983) 3.353 10.520 ( 1.412 0.000 1.048) 1.758 10.527 ( 2.775 0.000 1.482) 3.146 10.545 ( 7.263 0.000 -2.443) 7.663 10.960 ( 5.386 0.000 0.576) 5.417 10.962 ( -5.041 0.000 -0.175) 5.044 11.179 ( -0.494 0.000 -0.213) 0.537 11.226 ( -2.666 0.000 -0.551) 2.722 11.272 ( -1.143 0.000 -1.589) 1.957 11.984 ( -0.047 0.000 0.691) 0.692 12.053 ( -0.199 0.000 0.001) 0.199 12.131 ( 0.552 0.000 -0.173) 0.578 12.160 ( -0.110 0.000 -0.228) 0.253 20.241 ( 1.200 0.000 -0.662) 1.371 20.278 ( 0.440 0.000 -0.784) 0.899 20.728 ( -2.892 0.000 1.646) 3.327 20.773 ( -0.867 0.000 2.107) 2.278 21.406 ( 0.112 0.000 -0.693) 0.702 21.496 ( -0.001 0.000 0.100) 0.100 21.894 ( 0.671 0.000 0.525) 0.852 22.054 ( -1.009 0.000 -0.969) 1.399 22.252 ( -1.229 0.000 -1.540) 1.971 22.262 ( 0.495 0.000 0.189) 0.530 22.378 ( 1.437 0.000 0.921) 1.707 22.558 ( 0.623 0.000 -0.664) 0.910 22.678 ( 1.243 0.000 0.781) 1.468 22.847 ( -0.840 0.000 1.210) 1.473 22.898 ( -1.143 0.000 0.811) 1.402 22.917 ( 0.287 0.000 -1.048) 1.086 23.046 ( -0.503 0.000 -1.005) 1.124 23.393 ( 1.878 0.000 2.451) 3.088 23.560 ( 1.382 0.000 2.322) 2.702 23.723 ( -0.703 0.000 -0.173) 0.724 23.729 ( -0.569 0.000 -2.069) 2.146 24.075 ( -0.850 0.000 1.210) 1.479 24.131 ( -0.589 0.000 1.040) 1.195 24.152 ( -2.398 0.000 -0.919) 2.568 ======================= Grid point 9 (6/96) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.416 ( 0.000 18.665 0.000) 18.665 0.496 ( 0.000 22.255 0.000) 22.255 0.696 ( 0.000 30.574 0.000) 30.574 1.149 ( 0.000 -12.895 0.000) 12.895 1.408 ( 0.000 -17.652 0.000) 17.652 1.641 ( 0.000 1.579 0.000) 1.579 1.647 ( 0.000 7.733 0.000) 7.733 1.813 ( 0.000 -9.716 0.000) 9.716 1.836 ( 0.000 -0.514 0.000) 0.514 2.016 ( 0.000 -0.797 0.000) 0.797 2.139 ( 0.000 -2.652 0.000) 2.652 2.167 ( 0.000 5.729 0.000) 5.729 2.183 ( 0.000 -6.905 0.000) 6.905 2.309 ( 0.000 7.158 0.000) 7.158 2.434 ( 0.000 -8.970 0.000) 8.970 2.539 ( 0.000 -4.134 0.000) 4.134 2.560 ( 0.000 5.336 0.000) 5.336 2.718 ( 0.000 1.902 0.000) 1.902 2.731 ( 0.000 -4.645 0.000) 4.645 2.885 ( 0.000 -4.733 0.000) 4.733 2.967 ( 0.000 0.936 0.000) 0.936 3.006 ( 0.000 -2.767 0.000) 2.767 3.199 ( 0.000 9.515 0.000) 9.515 3.327 ( 0.000 0.120 0.000) 0.120 3.434 ( 0.000 -3.174 0.000) 3.174 3.459 ( 0.000 7.970 0.000) 7.970 3.605 ( 0.000 -2.663 0.000) 2.663 3.661 ( 0.000 1.315 0.000) 1.315 3.932 ( 0.000 2.494 0.000) 2.494 3.945 ( 0.000 -9.102 0.000) 9.102 4.006 ( 0.000 -6.122 0.000) 6.122 4.079 ( 0.000 -2.350 0.000) 2.350 4.220 ( 0.000 5.661 0.000) 5.661 4.222 ( 0.000 5.980 0.000) 5.980 4.373 ( 0.000 -0.657 0.000) 0.657 4.387 ( 0.000 -0.323 0.000) 0.323 4.419 ( 0.000 -0.206 0.000) 0.206 4.588 ( 0.000 7.340 0.000) 7.340 4.644 ( 0.000 -7.197 0.000) 7.197 4.806 ( 0.000 4.763 0.000) 4.763 4.943 ( 0.000 -4.432 0.000) 4.432 4.972 ( 0.000 -0.748 0.000) 0.748 5.076 ( 0.000 0.762 0.000) 0.762 5.087 ( 0.000 -0.008 0.000) 0.008 5.178 ( 0.000 3.633 0.000) 3.633 5.290 ( 0.000 1.672 0.000) 1.672 5.436 ( 0.000 -0.697 0.000) 0.697 5.491 ( 0.000 -0.810 0.000) 0.810 5.719 ( 0.000 0.455 0.000) 0.455 5.755 ( 0.000 -0.181 0.000) 0.181 6.165 ( 0.000 -0.177 0.000) 0.177 6.219 ( 0.000 -1.238 0.000) 1.238 6.310 ( 0.000 5.818 0.000) 5.818 6.349 ( 0.000 1.441 0.000) 1.441 6.385 ( 0.000 6.560 0.000) 6.560 6.514 ( 0.000 -1.402 0.000) 1.402 6.616 ( 0.000 -4.265 0.000) 4.265 6.754 ( 0.000 -4.155 0.000) 4.155 6.839 ( 0.000 0.767 0.000) 0.767 6.980 ( 0.000 -5.213 0.000) 5.213 8.680 ( 0.000 1.210 0.000) 1.210 8.732 ( 0.000 -0.746 0.000) 0.746 8.803 ( 0.000 0.601 0.000) 0.601 8.821 ( 0.000 1.044 0.000) 1.044 9.017 ( 0.000 0.795 0.000) 0.795 9.196 ( 0.000 -5.192 0.000) 5.192 9.284 ( 0.000 1.151 0.000) 1.151 9.307 ( 0.000 0.098 0.000) 0.098 9.588 ( 0.000 3.756 0.000) 3.756 9.725 ( 0.000 -2.070 0.000) 2.070 9.838 ( 0.000 1.836 0.000) 1.836 9.944 ( 0.000 -2.000 0.000) 2.000 10.116 ( 0.000 0.804 0.000) 0.804 10.171 ( 0.000 -0.733 0.000) 0.733 10.267 ( 0.000 3.282 0.000) 3.282 10.416 ( 0.000 -2.419 0.000) 2.419 11.198 ( 0.000 0.328 0.000) 0.328 11.206 ( 0.000 -0.007 0.000) 0.007 11.220 ( 0.000 0.239 0.000) 0.239 11.272 ( 0.000 -1.538 0.000) 1.538 11.890 ( 0.000 1.513 0.000) 1.513 12.019 ( 0.000 -4.597 0.000) 4.597 12.327 ( 0.000 7.315 0.000) 7.315 12.586 ( 0.000 -3.459 0.000) 3.459 20.227 ( 0.000 -0.356 0.000) 0.356 20.234 ( 0.000 -1.122 0.000) 1.122 20.462 ( 0.000 5.495 0.000) 5.495 20.728 ( 0.000 -4.611 0.000) 4.611 21.421 ( 0.000 0.759 0.000) 0.759 21.452 ( 0.000 -0.353 0.000) 0.353 22.125 ( 0.000 0.429 0.000) 0.429 22.125 ( 0.000 0.514 0.000) 0.514 22.167 ( 0.000 -1.547 0.000) 1.547 22.268 ( 0.000 -2.823 0.000) 2.823 22.279 ( 0.000 4.890 0.000) 4.890 22.460 ( 0.000 -2.730 0.000) 2.730 22.641 ( 0.000 4.195 0.000) 4.195 22.773 ( 0.000 -0.301 0.000) 0.301 22.808 ( 0.000 -0.858 0.000) 0.858 22.833 ( 0.000 -1.381 0.000) 1.381 23.197 ( 0.000 -1.000 0.000) 1.000 23.219 ( 0.000 -1.129 0.000) 1.129 23.348 ( 0.000 4.669 0.000) 4.669 23.528 ( 0.000 -2.365 0.000) 2.365 23.947 ( 0.000 0.820 0.000) 0.820 23.999 ( 0.000 -1.008 0.000) 1.008 24.426 ( 0.000 0.028 0.000) 0.028 24.432 ( 0.000 -0.185 0.000) 0.185 ======================= Grid point 10 (7/96) ======================= q-point: ( 0.11 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.547 ( 9.911 14.782 3.304) 18.101 0.641 ( 10.262 15.418 9.515) 20.822 0.959 ( 16.919 18.906 13.810) 28.886 1.201 ( 1.083 -8.768 7.984) 11.908 1.441 ( 1.527 -16.931 4.280) 17.531 1.636 ( -2.662 0.129 -1.796) 3.213 1.651 ( -2.286 1.082 0.653) 2.612 1.773 ( -0.197 5.273 -1.515) 5.490 1.889 ( 5.678 -8.272 5.141) 11.273 2.059 ( 0.982 -2.196 2.875) 3.749 2.118 ( -0.252 -3.000 -0.880) 3.136 2.154 ( -1.645 0.566 1.841) 2.533 2.219 ( 2.819 -2.523 -0.528) 3.820 2.293 ( 0.069 8.384 -0.535) 8.401 2.420 ( -0.097 -2.181 -0.208) 2.193 2.508 ( 0.126 -3.273 -2.932) 4.396 2.595 ( 2.198 0.663 0.403) 2.331 2.735 ( 2.018 -5.520 -0.398) 5.891 2.801 ( 0.126 -1.534 8.078) 8.223 2.882 ( -0.504 -1.506 0.351) 1.626 3.006 ( 0.805 -3.031 0.471) 3.171 3.043 ( 1.916 -0.155 7.258) 7.508 3.157 ( -1.133 9.033 -5.320) 10.545 3.338 ( -6.673 -0.040 1.238) 6.787 3.354 ( -2.427 0.328 3.405) 4.194 3.409 ( -4.708 3.343 -0.579) 5.803 3.580 ( -2.493 3.368 -0.797) 4.266 3.645 ( -3.488 -1.942 1.372) 4.221 3.889 ( -0.901 -1.699 -3.707) 4.177 3.942 ( -3.987 -3.551 2.036) 5.714 3.984 ( -3.567 -3.351 -2.779) 5.628 4.077 ( -0.367 -0.949 0.604) 1.183 4.213 ( 2.031 6.904 -0.391) 7.207 4.268 ( 2.082 4.396 0.564) 4.896 4.309 ( 1.996 3.754 -2.785) 5.083 4.423 ( 1.597 -0.122 0.976) 1.875 4.434 ( 1.113 -2.124 -1.865) 3.038 4.549 ( -5.435 3.666 -2.879) 7.160 4.655 ( 3.542 2.754 -0.276) 4.495 4.676 ( -0.609 5.307 0.181) 5.345 4.916 ( -0.458 -0.594 -3.847) 3.919 4.961 ( -1.324 -3.505 -1.108) 3.907 5.063 ( -2.894 1.267 -1.019) 3.320 5.126 ( 1.971 0.845 -0.382) 2.178 5.177 ( 3.001 -1.119 2.215) 3.894 5.256 ( -1.346 1.573 -5.099) 5.503 5.435 ( -1.454 -0.981 0.740) 1.904 5.503 ( -0.058 -1.516 0.026) 1.517 5.625 ( -1.792 4.047 -0.435) 4.447 5.890 ( -0.919 -8.035 1.937) 8.316 6.137 ( -3.109 2.292 -2.822) 4.784 6.184 ( -2.531 2.194 -0.429) 3.377 6.231 ( -5.113 0.335 -6.119) 7.981 6.321 ( 0.275 -0.356 2.017) 2.067 6.421 ( 0.029 3.007 4.476) 5.392 6.577 ( 4.638 -1.462 3.602) 6.052 6.636 ( 1.863 -2.902 -0.440) 3.477 6.734 ( -5.558 -2.594 5.319) 8.119 6.897 ( 3.134 -0.092 0.906) 3.264 7.003 ( -0.948 -2.862 2.721) 4.061 8.621 ( -4.731 5.837 -4.001) 8.512 8.651 ( -1.909 1.973 -3.506) 4.453 8.734 ( -2.254 1.617 -0.899) 2.916 8.837 ( -1.631 -0.438 2.061) 2.664 9.104 ( 2.045 -0.222 6.046) 6.386 9.249 ( 4.000 -4.738 2.929) 6.858 9.280 ( -0.115 0.655 0.552) 0.864 9.298 ( -0.445 0.294 -0.408) 0.672 9.512 ( -1.679 4.224 -1.543) 4.801 9.682 ( -2.729 -2.817 -1.589) 4.232 9.919 ( 3.110 -0.135 -3.627) 4.779 10.060 ( 10.919 -5.996 -6.847) 14.215 10.151 ( 9.845 0.227 -4.773) 10.943 10.206 ( 4.975 -0.893 -0.288) 5.062 10.349 ( 7.354 2.621 3.444) 8.532 10.460 ( 4.812 -1.110 0.306) 4.948 11.190 ( -1.544 0.561 0.676) 1.776 11.220 ( -0.434 0.322 0.533) 0.759 11.275 ( 1.303 -3.148 0.765) 3.492 11.283 ( 2.192 -4.667 3.120) 6.026 11.905 ( 0.542 1.293 1.945) 2.398 12.018 ( -0.372 -3.972 0.386) 4.008 12.300 ( -1.553 6.149 -2.462) 6.804 12.395 ( -6.242 7.203 -12.232) 15.507 20.226 ( 0.643 -0.021 -1.019) 1.205 20.256 ( 1.187 -0.956 0.121) 1.529 20.624 ( -0.569 -5.685 16.090) 17.075 20.732 ( -2.216 -4.070 4.023) 6.137 21.430 ( 2.563 0.292 -2.422) 3.538 21.460 ( 0.881 -0.399 0.031) 0.968 22.022 ( -3.559 2.824 -4.352) 6.291 22.145 ( 0.166 -2.261 -3.787) 4.414 22.175 ( 0.851 0.429 2.497) 2.672 22.254 ( -0.239 0.976 0.257) 1.037 22.361 ( 6.156 -0.696 0.065) 6.196 22.470 ( 0.983 -3.457 -1.519) 3.901 22.632 ( -1.138 5.468 1.235) 5.721 22.788 ( -1.758 -0.382 4.974) 5.289 22.830 ( -0.284 -0.602 3.461) 3.524 22.877 ( 1.069 -3.332 4.320) 5.560 23.158 ( -2.234 1.666 -1.765) 3.299 23.196 ( -0.712 -0.755 -0.658) 1.229 23.366 ( 3.206 4.994 -0.186) 5.937 23.593 ( 3.560 -7.034 1.441) 8.015 23.942 ( -0.262 1.001 -0.862) 1.347 24.002 ( -1.514 -1.239 2.788) 3.406 24.331 ( -10.612 4.756 2.208) 11.837 24.397 ( -3.525 -0.291 -0.336) 3.553 ======================= Grid point 11 (8/96) ======================= q-point: ( 0.22 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( 12.075 9.049 0.415) 15.095 0.912 ( 12.504 6.036 4.383) 14.560 1.228 ( 1.244 -8.202 6.132) 10.316 1.386 ( 4.389 2.245 2.871) 5.705 1.421 ( -2.365 -4.458 -10.001) 11.203 1.592 ( 5.896 -2.160 7.527) 9.802 1.682 ( 6.471 -4.225 2.982) 8.283 1.862 ( 1.631 8.255 8.771) 12.155 2.041 ( 2.641 0.257 7.046) 7.529 2.104 ( -0.254 -2.600 6.425) 6.935 2.126 ( 3.303 -2.722 -2.264) 4.843 2.165 ( 1.628 -1.425 -1.332) 2.541 2.260 ( 2.735 -0.539 2.074) 3.474 2.318 ( 2.170 6.814 2.164) 7.471 2.446 ( -2.415 5.313 5.531) 8.040 2.515 ( 6.758 -5.373 -2.335) 8.944 2.635 ( 3.250 -2.068 0.530) 3.889 2.744 ( -0.205 -7.077 -1.450) 7.227 2.820 ( -4.978 -0.311 2.846) 5.743 2.917 ( -1.217 -1.846 6.226) 6.607 3.035 ( -2.207 -4.503 2.043) 5.414 3.069 ( 1.209 7.419 -3.045) 8.110 3.125 ( -3.401 -0.773 4.315) 5.548 3.266 ( -4.870 -0.930 5.430) 7.353 3.358 ( -3.688 1.407 4.598) 6.060 3.392 ( -0.757 3.082 3.508) 4.730 3.491 ( -3.732 6.262 -3.800) 8.221 3.619 ( -2.788 -0.078 2.309) 3.621 3.802 ( -2.939 -5.317 -5.965) 8.514 3.857 ( -5.635 5.355 -1.648) 7.946 3.933 ( -1.654 -0.414 2.639) 3.142 4.075 ( -0.727 -2.422 0.661) 2.613 4.245 ( 0.336 3.879 1.816) 4.296 4.269 ( 0.600 -0.497 -2.427) 2.549 4.347 ( 0.091 0.460 -1.498) 1.569 4.425 ( 4.928 0.239 -3.265) 5.916 4.478 ( 2.627 0.064 1.715) 3.138 4.518 ( 1.903 0.447 0.829) 2.123 4.655 ( 0.591 1.979 0.308) 2.088 4.772 ( 5.089 3.179 3.131) 6.768 4.863 ( 0.972 1.236 -5.026) 5.267 4.916 ( -2.135 -4.191 -1.665) 4.989 4.986 ( -4.260 -1.109 -1.329) 4.599 5.084 ( -4.566 0.426 -7.183) 8.523 5.156 ( 2.925 2.298 -1.415) 3.980 5.313 ( 2.742 -3.162 0.887) 4.278 5.417 ( -1.725 0.962 0.970) 2.201 5.491 ( -0.709 -2.354 0.722) 2.563 5.617 ( -1.091 3.470 2.075) 4.187 5.809 ( -5.536 -2.539 -3.852) 7.207 6.019 ( -4.695 1.379 -4.335) 6.537 6.050 ( -6.395 1.734 -6.411) 9.220 6.221 ( 1.954 2.131 3.357) 4.430 6.317 ( -5.315 1.466 2.355) 5.995 6.458 ( -0.497 -2.239 1.462) 2.720 6.628 ( -2.302 -6.637 -1.016) 7.098 6.696 ( 3.838 -1.722 3.898) 5.735 6.734 ( 0.539 0.495 3.157) 3.240 6.937 ( 1.416 0.986 0.187) 1.735 6.998 ( -0.381 0.999 -0.749) 1.305 8.544 ( -2.480 5.733 -0.610) 6.276 8.586 ( -1.035 1.582 -3.883) 4.319 8.678 ( -1.279 0.769 -4.189) 4.447 8.821 ( -3.364 -1.398 1.950) 4.132 9.207 ( 3.154 0.751 4.555) 5.591 9.271 ( -0.305 1.168 2.027) 2.359 9.286 ( 0.010 0.131 -0.925) 0.934 9.382 ( 3.860 -4.520 4.068) 7.203 9.509 ( 2.818 2.164 0.442) 3.581 9.645 ( -0.392 -2.839 -0.574) 2.923 9.888 ( -0.979 2.219 -3.643) 4.377 10.067 ( 0.546 -3.862 -3.571) 5.288 10.263 ( 11.815 -0.962 -6.135) 13.348 10.305 ( 6.984 -1.243 0.885) 7.149 10.488 ( 6.586 3.709 -0.784) 7.599 10.591 ( 11.041 -0.333 2.126) 11.249 11.159 ( -3.391 1.303 0.318) 3.647 11.218 ( -0.806 0.573 0.706) 1.215 11.277 ( -0.454 -2.379 -0.460) 2.465 11.324 ( -0.173 -5.834 -0.198) 5.840 11.945 ( 0.510 0.738 3.083) 3.210 12.019 ( -0.178 -2.577 0.654) 2.664 12.226 ( -2.074 5.534 -5.047) 7.772 12.244 ( -1.561 4.024 -4.239) 6.050 20.226 ( 1.474 0.602 -1.587) 2.248 20.271 ( 1.625 -0.574 -1.273) 2.142 20.709 ( -3.808 -2.942 7.643) 9.032 20.757 ( -4.769 -3.763 8.502) 10.449 21.437 ( 1.852 0.649 -2.425) 3.119 21.475 ( 0.934 -0.507 0.056) 1.064 21.936 ( -2.395 2.646 -2.593) 4.411 22.092 ( -1.147 -3.918 -3.713) 5.518 22.234 ( 2.866 1.104 2.149) 3.748 22.255 ( 0.395 1.418 0.056) 1.473 22.405 ( 0.041 -1.200 -4.015) 4.191 22.469 ( 4.542 -3.103 -1.997) 5.851 22.653 ( -0.459 5.360 3.624) 6.486 22.824 ( -2.198 -0.800 6.023) 6.461 22.858 ( -1.855 -0.178 4.438) 4.814 22.931 ( 0.749 -1.879 1.790) 2.701 23.127 ( 0.695 1.463 -2.743) 3.185 23.198 ( 0.725 -1.299 2.313) 2.750 23.431 ( 3.451 3.745 1.996) 5.470 23.638 ( 2.329 -6.517 -0.889) 6.978 23.916 ( -1.454 2.453 -1.155) 3.077 24.016 ( -1.343 -2.051 3.357) 4.156 24.216 ( -8.063 4.108 2.982) 9.527 24.319 ( -5.410 -0.801 -0.918) 5.546 ======================= Grid point 12 (9/96) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( 6.550 4.613 -4.691) 9.283 1.041 ( 1.331 -6.143 -3.644) 7.265 1.258 ( 1.951 -6.562 -6.189) 9.229 1.297 ( -0.351 -7.828 0.155) 7.837 1.426 ( 3.117 4.335 4.995) 7.312 1.788 ( 4.181 -8.696 3.774) 10.361 1.875 ( 11.419 6.421 -1.251) 13.160 1.969 ( 3.266 10.132 6.881) 12.675 2.040 ( -1.344 0.568 -4.530) 4.759 2.139 ( 0.956 -1.084 -1.463) 2.057 2.214 ( 3.506 0.122 7.601) 8.372 2.272 ( 5.792 0.760 6.393) 8.660 2.327 ( 2.015 3.126 1.762) 4.115 2.403 ( 3.850 2.467 2.397) 5.163 2.482 ( 1.312 1.607 4.815) 5.243 2.566 ( 0.987 1.377 -3.819) 4.178 2.707 ( -4.145 -2.569 2.586) 5.520 2.737 ( 1.888 -5.645 2.480) 6.449 2.781 ( -0.278 0.630 6.810) 6.844 2.937 ( -2.532 -0.399 2.604) 3.654 3.016 ( -3.621 -7.947 4.541) 9.843 3.075 ( -1.702 2.525 0.682) 3.121 3.105 ( -0.471 -1.977 1.012) 2.270 3.222 ( -7.012 -2.394 0.628) 7.436 3.377 ( -1.186 2.456 1.180) 2.972 3.389 ( -1.977 3.323 2.686) 4.708 3.453 ( -0.181 4.659 0.426) 4.682 3.628 ( -1.498 4.430 5.969) 7.583 3.700 ( -2.835 4.395 -3.368) 6.221 3.779 ( -2.136 -0.754 0.340) 2.290 3.973 ( 0.700 -2.675 4.792) 5.533 4.047 ( -2.230 -2.286 -2.848) 4.279 4.229 ( -2.341 -2.384 -2.159) 3.978 4.279 ( -2.843 -3.724 -3.204) 5.676 4.304 ( 3.755 0.482 4.307) 5.735 4.455 ( 2.689 1.053 -2.929) 4.113 4.554 ( 3.202 3.123 1.433) 4.697 4.580 ( 3.787 0.954 1.300) 4.116 4.687 ( 2.264 2.822 1.350) 3.862 4.833 ( 3.017 1.145 -5.000) 5.951 4.851 ( -0.628 -0.908 -3.124) 3.314 4.876 ( -2.090 -0.804 3.151) 3.866 4.923 ( -2.216 -1.935 -0.486) 2.982 4.992 ( 3.955 -4.254 -3.190) 6.627 5.148 ( -2.632 2.559 -0.878) 3.774 5.318 ( -0.566 -3.606 -1.001) 3.785 5.387 ( -1.439 2.822 -0.838) 3.277 5.496 ( -0.489 -1.847 -0.093) 1.913 5.625 ( -1.564 0.767 0.299) 1.767 5.677 ( -4.782 0.473 -3.042) 5.687 5.892 ( -4.767 1.041 -5.627) 7.448 5.922 ( -2.712 1.089 -2.483) 3.835 6.227 ( -7.147 3.602 0.239) 8.007 6.316 ( 2.989 1.062 5.519) 6.366 6.435 ( -1.989 -1.596 -1.374) 2.897 6.566 ( -2.641 -7.067 -1.981) 7.800 6.754 ( 0.416 0.863 2.713) 2.877 6.813 ( 3.703 -1.336 1.491) 4.209 6.947 ( -0.086 1.695 -0.092) 1.699 6.990 ( 0.977 1.508 -1.365) 2.257 8.513 ( -1.269 4.634 -0.261) 4.812 8.537 ( -0.884 2.127 -1.889) 2.979 8.611 ( -0.696 0.226 -4.307) 4.369 8.783 ( -3.327 -2.410 0.783) 4.182 9.255 ( 0.473 0.043 0.760) 0.896 9.276 ( 0.031 -0.165 -0.708) 0.727 9.353 ( 3.651 1.647 5.060) 6.454 9.426 ( 0.609 -0.238 -0.183) 0.679 9.618 ( 4.082 -1.803 4.741) 6.511 9.655 ( 2.167 -2.268 1.325) 3.405 9.821 ( -2.193 3.270 -3.354) 5.172 10.018 ( -1.218 -3.736 -3.840) 5.494 10.377 ( 9.052 -0.828 -2.097) 9.329 10.425 ( 6.496 -1.607 1.279) 6.813 10.565 ( 6.091 5.780 -1.730) 8.573 10.779 ( 9.636 -2.841 0.903) 10.086 11.093 ( -5.120 2.502 0.096) 5.699 11.208 ( -1.070 0.942 0.076) 1.427 11.245 ( -2.645 -2.906 -0.873) 4.026 11.296 ( -1.387 -2.786 -1.462) 3.438 11.979 ( -0.030 0.758 2.147) 2.277 12.029 ( 0.206 -1.568 0.916) 1.827 12.168 ( -0.293 2.694 -2.528) 3.707 12.190 ( -0.943 1.443 -2.161) 2.764 20.236 ( 1.945 0.815 -1.441) 2.554 20.276 ( 1.254 -0.434 -1.604) 2.082 20.730 ( -3.373 -1.221 5.760) 6.786 20.762 ( -4.222 -1.285 5.201) 6.821 21.434 ( 0.848 1.380 -1.626) 2.295 21.488 ( 0.546 -0.522 0.101) 0.762 21.891 ( -0.869 1.187 -0.952) 1.753 22.033 ( -1.636 -4.450 -2.605) 5.409 22.264 ( 1.038 1.092 -0.144) 1.513 22.285 ( 0.217 -0.772 0.008) 0.802 22.366 ( 1.485 2.323 -1.269) 3.035 22.513 ( 3.173 -3.291 -1.672) 4.867 22.682 ( -0.302 4.027 2.340) 4.668 22.847 ( -1.920 -0.850 3.496) 4.078 22.875 ( -1.935 -0.573 3.441) 3.989 22.944 ( 0.250 -0.046 -0.053) 0.260 23.098 ( -0.030 2.310 -2.844) 3.664 23.272 ( 3.121 -3.104 3.845) 5.845 23.505 ( 2.493 2.450 2.552) 4.328 23.661 ( 2.126 -3.798 -0.452) 4.376 23.873 ( -2.276 4.288 -1.275) 5.019 24.030 ( -1.490 -3.026 2.519) 4.210 24.151 ( -4.140 1.634 1.979) 4.871 24.222 ( -5.072 -0.784 -1.252) 5.283 ======================= Grid point 13 (10/96) ======================= q-point: ( 0.44 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( 1.398 -0.063 -3.159) 3.455 0.969 ( -2.145 -6.628 -2.373) 7.359 1.206 ( 0.746 -4.727 -4.111) 6.309 1.338 ( 0.827 -8.180 2.010) 8.463 1.592 ( 7.863 3.987 5.682) 10.489 1.786 ( -5.623 -0.065 -3.042) 6.394 1.937 ( 1.315 -1.138 2.283) 2.870 2.007 ( 4.329 -1.625 -6.795) 8.219 2.102 ( 1.324 7.142 5.980) 9.409 2.154 ( 4.285 4.757 -3.710) 7.399 2.310 ( -1.666 3.371 4.048) 5.525 2.351 ( 0.012 3.239 1.580) 3.604 2.385 ( 1.828 5.231 1.028) 5.636 2.476 ( 3.536 -1.049 0.765) 3.767 2.497 ( 0.277 -0.372 -3.121) 3.155 2.586 ( 1.270 -3.097 2.678) 4.287 2.663 ( -1.484 -0.270 2.468) 2.892 2.784 ( -1.918 -1.945 2.774) 3.894 2.888 ( -2.454 -0.297 3.193) 4.038 2.915 ( 4.068 2.953 2.834) 5.771 3.017 ( -2.807 -1.280 -1.455) 3.411 3.071 ( 1.403 -5.209 2.673) 6.020 3.112 ( -1.375 -5.557 1.599) 5.944 3.122 ( -2.725 -4.025 -3.057) 5.743 3.355 ( -1.848 1.796 -0.087) 2.578 3.370 ( -1.469 3.208 0.563) 3.573 3.456 ( 0.080 3.575 -0.477) 3.608 3.608 ( -2.512 7.416 -0.716) 7.862 3.733 ( 1.680 6.650 5.497) 8.790 3.802 ( 1.253 -0.604 2.441) 2.809 3.953 ( -3.096 -3.398 -4.473) 6.414 4.035 ( 0.844 -3.603 2.590) 4.517 4.171 ( -1.511 -0.977 -1.310) 2.226 4.214 ( -1.172 -6.206 -2.094) 6.653 4.416 ( 1.229 0.431 2.824) 3.110 4.486 ( 4.834 -1.574 2.477) 5.655 4.575 ( -0.421 4.005 -0.576) 4.068 4.619 ( -0.996 2.788 -1.908) 3.522 4.740 ( 0.766 0.503 1.954) 2.158 4.776 ( 0.678 -2.657 -3.077) 4.122 4.839 ( 3.235 2.662 -2.164) 4.715 4.878 ( -1.055 1.177 1.192) 1.980 4.925 ( 1.259 0.024 -0.264) 1.286 5.006 ( -3.576 0.679 -0.290) 3.651 5.149 ( 4.461 -5.907 0.769) 7.442 5.274 ( -3.135 -4.459 -0.235) 5.456 5.377 ( 1.090 2.552 -1.054) 2.968 5.472 ( -2.741 -0.675 -0.181) 2.829 5.557 ( -0.914 1.035 -0.530) 1.479 5.616 ( -2.892 -2.573 -2.620) 4.674 5.808 ( -0.366 3.621 -1.495) 3.935 5.878 ( -0.907 1.142 -0.752) 1.641 6.140 ( -3.333 4.653 -0.146) 5.725 6.391 ( -0.940 -0.424 -1.287) 1.649 6.400 ( 0.643 -4.460 2.868) 5.341 6.523 ( -0.373 -5.045 -0.971) 5.151 6.788 ( 0.604 2.223 1.592) 2.800 6.857 ( 1.018 -0.349 -0.060) 1.078 6.937 ( -0.466 2.560 -0.409) 2.634 6.993 ( 0.517 0.736 -0.458) 1.010 8.496 ( -0.326 3.892 -0.425) 3.928 8.516 ( -0.492 2.912 -0.211) 2.961 8.569 ( -0.119 -0.283 -1.722) 1.749 8.749 ( -1.401 -2.961 0.131) 3.279 9.266 ( 0.239 -0.232 0.270) 0.428 9.271 ( -0.017 -0.454 -0.175) 0.487 9.427 ( 0.494 0.802 -0.512) 1.072 9.443 ( 1.526 0.623 2.344) 2.866 9.669 ( 1.152 -0.041 1.441) 1.845 9.750 ( -0.960 0.733 -0.680) 1.386 9.763 ( 2.094 0.055 2.157) 3.007 9.951 ( -1.533 -3.672 -3.105) 5.047 10.474 ( 3.820 -1.079 0.429) 3.993 10.511 ( 2.760 -1.556 0.417) 3.195 10.635 ( 4.304 5.352 -0.958) 6.935 10.869 ( 1.510 -4.713 -0.601) 4.985 11.039 ( -1.116 3.510 0.439) 3.709 11.185 ( -1.373 -1.935 -1.083) 2.608 11.198 ( -1.682 0.423 0.449) 1.791 11.264 ( -0.789 -0.975 -0.683) 1.428 11.995 ( -0.015 0.860 0.703) 1.111 12.038 ( -0.019 -0.983 0.343) 1.041 12.150 ( 0.078 1.194 -0.665) 1.369 12.166 ( -0.245 0.374 -0.638) 0.779 20.249 ( 1.031 0.629 -0.580) 1.340 20.275 ( 0.411 -0.296 -0.731) 0.889 20.730 ( -2.015 0.281 2.041) 2.882 20.764 ( -1.020 -0.766 1.954) 2.333 21.428 ( 0.218 1.852 -0.582) 1.953 21.494 ( 0.160 -0.373 0.063) 0.411 21.882 ( 0.028 -0.518 -0.034) 0.520 21.990 ( -0.913 -4.631 -1.048) 4.835 22.264 ( -0.291 0.971 -0.967) 1.401 22.278 ( 0.221 0.862 0.240) 0.922 22.398 ( 1.391 1.843 0.378) 2.340 22.529 ( 0.907 -2.755 -0.665) 2.976 22.698 ( 0.079 2.368 0.764) 2.490 22.847 ( -1.032 -1.901 0.862) 2.328 22.879 ( -0.886 0.415 1.377) 1.689 22.946 ( 0.175 0.478 -0.126) 0.525 23.072 ( -0.058 3.677 -1.255) 3.885 23.344 ( 1.540 -5.188 1.574) 5.636 23.556 ( 0.992 2.207 1.301) 2.748 23.694 ( 1.607 -1.823 0.467) 2.474 23.825 ( -1.694 5.444 -0.959) 5.782 24.026 ( -1.172 -3.838 0.751) 4.083 24.130 ( -0.862 0.125 0.646) 1.084 24.153 ( -2.105 -0.224 -0.534) 2.183 ======================= Grid point 18 (11/96) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( 0.000 -16.341 0.000) 16.341 0.804 ( 0.000 16.341 0.000) 16.341 0.959 ( 0.000 -19.269 0.000) 19.269 0.959 ( 0.000 19.269 0.000) 19.269 1.389 ( 0.000 -25.518 0.000) 25.518 1.389 ( 0.000 25.518 0.000) 25.518 1.685 ( 0.000 -1.905 0.000) 1.905 1.685 ( 0.000 1.905 0.000) 1.905 1.945 ( 0.000 -6.634 0.000) 6.634 1.945 ( 0.000 6.634 0.000) 6.634 2.096 ( 0.000 -0.454 0.000) 0.454 2.096 ( 0.000 0.454 0.000) 0.454 2.263 ( 0.000 -5.161 0.000) 5.161 2.263 ( 0.000 5.161 0.000) 5.161 2.472 ( 0.000 -4.708 0.000) 4.708 2.472 ( 0.000 4.708 0.000) 4.708 2.623 ( 0.000 -3.262 0.000) 3.262 2.623 ( 0.000 3.262 0.000) 3.262 2.815 ( 0.000 -4.252 0.000) 4.252 2.815 ( 0.000 4.252 0.000) 4.252 2.969 ( 0.000 -0.163 0.000) 0.163 2.969 ( 0.000 0.163 0.000) 0.163 3.321 ( 0.000 -1.798 0.000) 1.798 3.321 ( 0.000 1.798 0.000) 1.798 3.434 ( 0.000 -3.128 0.000) 3.128 3.434 ( 0.000 3.128 0.000) 3.128 3.721 ( 0.000 -0.695 0.000) 0.695 3.721 ( 0.000 0.695 0.000) 0.695 3.797 ( 0.000 -5.080 0.000) 5.080 3.797 ( 0.000 5.080 0.000) 5.080 4.023 ( 0.000 -3.087 0.000) 3.087 4.023 ( 0.000 3.087 0.000) 3.087 4.301 ( 0.000 -0.652 0.000) 0.652 4.301 ( 0.000 0.652 0.000) 0.652 4.395 ( 0.000 -0.995 0.000) 0.995 4.395 ( 0.000 0.995 0.000) 0.995 4.454 ( 0.000 -7.533 0.000) 7.533 4.454 ( 0.000 7.533 0.000) 7.533 4.779 ( 0.000 -7.483 0.000) 7.483 4.779 ( 0.000 7.483 0.000) 7.483 4.926 ( 0.000 -2.894 0.000) 2.894 4.926 ( 0.000 2.894 0.000) 2.894 5.086 ( 0.000 -0.035 0.000) 0.035 5.086 ( 0.000 0.035 0.000) 0.035 5.269 ( 0.000 -3.649 0.000) 3.649 5.269 ( 0.000 3.649 0.000) 3.649 5.454 ( 0.000 -2.198 0.000) 2.198 5.454 ( 0.000 2.198 0.000) 2.198 5.739 ( 0.000 -1.169 0.000) 1.169 5.739 ( 0.000 1.169 0.000) 1.169 6.184 ( 0.000 -1.615 0.000) 1.615 6.184 ( 0.000 1.615 0.000) 1.615 6.383 ( 0.000 -0.400 0.000) 0.400 6.383 ( 0.000 0.400 0.000) 0.400 6.513 ( 0.000 -3.672 0.000) 3.672 6.513 ( 0.000 3.672 0.000) 3.672 6.592 ( 0.000 -9.931 0.000) 9.931 6.592 ( 0.000 9.931 0.000) 9.931 6.880 ( 0.000 -3.201 0.000) 3.201 6.880 ( 0.000 3.201 0.000) 3.201 8.709 ( 0.000 -1.310 0.000) 1.310 8.709 ( 0.000 1.310 0.000) 1.310 8.822 ( 0.000 -0.824 0.000) 0.824 8.822 ( 0.000 0.824 0.000) 0.824 9.080 ( 0.000 -4.756 0.000) 4.756 9.080 ( 0.000 4.756 0.000) 4.756 9.304 ( 0.000 -0.497 0.000) 0.497 9.304 ( 0.000 0.497 0.000) 0.497 9.667 ( 0.000 -3.214 0.000) 3.214 9.667 ( 0.000 3.214 0.000) 3.214 9.889 ( 0.000 -2.666 0.000) 2.666 9.889 ( 0.000 2.666 0.000) 2.666 10.146 ( 0.000 -1.525 0.000) 1.525 10.146 ( 0.000 1.525 0.000) 1.525 10.347 ( 0.000 -3.711 0.000) 3.711 10.347 ( 0.000 3.711 0.000) 3.711 11.204 ( 0.000 -0.153 0.000) 0.153 11.204 ( 0.000 0.153 0.000) 0.153 11.237 ( 0.000 -1.348 0.000) 1.348 11.237 ( 0.000 1.348 0.000) 1.348 11.938 ( 0.000 -2.875 0.000) 2.875 11.938 ( 0.000 2.875 0.000) 2.875 12.479 ( 0.000 -6.194 0.000) 6.194 12.479 ( 0.000 6.194 0.000) 6.194 20.222 ( 0.000 -0.035 0.000) 0.035 20.222 ( 0.000 0.035 0.000) 0.035 20.600 ( 0.000 -6.600 0.000) 6.600 20.600 ( 0.000 6.600 0.000) 6.600 21.439 ( 0.000 -0.789 0.000) 0.789 21.439 ( 0.000 0.789 0.000) 0.789 22.132 ( 0.000 -0.793 0.000) 0.793 22.132 ( 0.000 0.793 0.000) 0.793 22.189 ( 0.000 -3.730 0.000) 3.730 22.189 ( 0.000 3.730 0.000) 3.730 22.382 ( 0.000 -4.278 0.000) 4.278 22.382 ( 0.000 4.278 0.000) 4.278 22.740 ( 0.000 -3.921 0.000) 3.921 22.740 ( 0.000 3.921 0.000) 3.921 22.800 ( 0.000 -1.215 0.000) 1.215 22.800 ( 0.000 1.215 0.000) 1.215 23.194 ( 0.000 -0.782 0.000) 0.782 23.194 ( 0.000 0.782 0.000) 0.782 23.452 ( 0.000 -4.410 0.000) 4.410 23.452 ( 0.000 4.410 0.000) 4.410 23.971 ( 0.000 -1.349 0.000) 1.349 23.971 ( 0.000 1.349 0.000) 1.349 24.428 ( 0.000 -0.161 0.000) 0.161 24.428 ( 0.000 0.161 0.000) 0.161 ======================= Grid point 20 (12/96) ======================= q-point: ( 0.11 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( 3.598 -13.408 4.697) 14.656 0.878 ( 3.598 13.408 4.697) 14.656 1.032 ( 3.700 -17.158 6.924) 18.869 1.032 ( 3.700 17.158 6.924) 18.869 1.496 ( 7.909 -18.938 4.487) 21.008 1.496 ( 7.909 18.938 4.487) 21.008 1.664 ( -0.413 -3.170 -2.015) 3.779 1.664 ( -0.413 3.170 -2.015) 3.779 1.946 ( 0.040 -6.781 2.151) 7.114 1.946 ( 0.040 6.781 2.151) 7.114 2.092 ( 0.149 -1.243 2.764) 3.035 2.092 ( 0.149 1.243 2.764) 3.035 2.296 ( 2.312 -5.123 -0.453) 5.639 2.296 ( 2.312 5.123 -0.453) 5.639 2.469 ( -0.657 -4.436 0.884) 4.571 2.469 ( -0.657 4.436 0.884) 4.571 2.623 ( -0.234 -3.289 1.026) 3.453 2.623 ( -0.234 3.289 1.026) 3.453 2.822 ( 0.236 -3.393 -0.000) 3.402 2.822 ( 0.236 3.393 -0.000) 3.402 3.011 ( 1.445 -2.241 4.362) 5.112 3.011 ( 1.445 2.241 4.362) 5.112 3.324 ( -1.773 -4.597 -0.352) 4.940 3.324 ( -1.773 4.597 -0.352) 4.940 3.363 ( -6.024 -3.101 2.129) 7.102 3.363 ( -6.024 3.101 2.129) 7.102 3.701 ( -0.694 -6.466 -5.157) 8.299 3.701 ( -0.694 6.466 -5.157) 8.299 3.784 ( -0.782 -9.694 0.936) 9.771 3.784 ( -0.782 9.694 0.936) 9.771 4.017 ( -2.301 -3.381 1.614) 4.397 4.017 ( -2.301 3.381 1.614) 4.397 4.331 ( 1.936 -0.324 0.274) 1.982 4.331 ( 1.936 0.324 0.274) 1.982 4.385 ( 0.489 -1.821 -1.197) 2.233 4.385 ( 0.489 1.821 -1.197) 2.233 4.455 ( 1.030 -5.169 -1.357) 5.443 4.455 ( 1.030 5.169 -1.357) 5.443 4.779 ( 0.425 -3.414 -1.105) 3.614 4.779 ( 0.425 3.414 -1.105) 3.614 4.883 ( -2.401 -2.897 -1.408) 4.018 4.883 ( -2.401 2.897 -1.408) 4.018 5.110 ( 1.550 -2.267 -0.299) 2.762 5.110 ( 1.550 2.267 -0.299) 2.762 5.212 ( -3.764 -4.207 -1.725) 5.903 5.212 ( -3.764 4.207 -1.725) 5.903 5.454 ( -0.416 -2.567 0.451) 2.639 5.454 ( -0.416 2.567 0.451) 2.639 5.742 ( -0.317 -5.996 0.167) 6.007 5.742 ( -0.317 5.996 0.167) 6.007 6.180 ( -2.280 -1.384 -1.416) 3.020 6.180 ( -2.280 1.384 -1.416) 3.020 6.295 ( -2.652 -3.029 -3.428) 5.288 6.295 ( -2.652 3.029 -3.428) 5.288 6.492 ( -1.401 -4.083 1.580) 4.597 6.492 ( -1.401 4.083 1.580) 4.597 6.670 ( 0.826 -3.971 4.656) 6.175 6.670 ( 0.826 3.971 4.656) 6.175 6.920 ( 3.375 -2.797 1.085) 4.516 6.920 ( 3.375 2.797 1.085) 4.516 8.669 ( -0.622 -0.864 -4.830) 4.946 8.669 ( -0.622 0.864 -4.830) 4.946 8.801 ( -4.223 -2.915 2.382) 5.657 8.801 ( -4.223 2.915 2.382) 5.657 9.142 ( 4.080 -3.828 4.173) 6.980 9.142 ( 4.080 3.828 4.173) 6.980 9.298 ( -0.659 -0.462 -0.083) 0.809 9.298 ( -0.659 0.462 -0.083) 0.809 9.604 ( -3.238 -3.989 -1.590) 5.378 9.604 ( -3.238 3.989 -1.590) 5.378 9.958 ( 6.700 -3.394 -3.740) 8.390 9.958 ( 6.700 3.394 -3.740) 8.390 10.178 ( 5.341 -1.524 -1.000) 5.643 10.178 ( 5.341 1.524 -1.000) 5.643 10.412 ( 6.180 -2.873 2.597) 7.293 10.412 ( 6.180 2.873 2.597) 7.293 11.211 ( -0.712 -1.514 1.688) 2.377 11.211 ( -0.712 1.514 1.688) 2.377 11.239 ( 0.236 -1.464 0.085) 1.486 11.239 ( 0.236 1.464 0.085) 1.486 11.947 ( 0.227 -2.529 1.317) 2.860 11.947 ( 0.227 2.529 1.317) 2.860 12.412 ( -3.242 -3.410 -5.751) 7.430 12.412 ( -3.242 3.410 -5.751) 7.430 20.232 ( 1.036 -0.776 0.043) 1.295 20.232 ( 1.036 0.776 0.043) 1.295 20.634 ( -0.705 -4.009 6.070) 7.308 20.634 ( -0.705 4.009 6.070) 7.308 21.446 ( 1.104 -0.834 -0.497) 1.470 21.446 ( 1.104 0.834 -0.497) 1.470 22.082 ( -1.873 -2.821 -3.996) 5.238 22.082 ( -1.873 2.821 -3.996) 5.238 22.223 ( 1.532 -2.946 2.134) 3.947 22.223 ( 1.532 2.946 2.134) 3.947 22.394 ( 2.336 -3.151 -2.042) 4.422 22.394 ( 2.336 3.151 -2.042) 4.422 22.749 ( -1.236 -4.391 3.657) 5.847 22.749 ( -1.236 4.391 3.657) 5.847 22.825 ( -0.087 -1.359 3.737) 3.977 22.825 ( -0.087 1.359 3.737) 3.977 23.181 ( -0.758 -0.770 -0.704) 1.290 23.181 ( -0.758 0.770 -0.704) 1.290 23.473 ( 2.975 -4.880 -0.713) 5.760 23.473 ( 2.975 4.880 -0.713) 5.760 23.969 ( -1.103 -1.531 1.154) 2.211 23.969 ( -1.103 1.531 1.154) 2.211 24.383 ( -5.206 -1.083 -0.106) 5.319 24.383 ( -5.206 1.083 -0.106) 5.319 ======================= Grid point 22 (13/96) ======================= q-point: ( 0.22 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( 3.897 -12.005 3.047) 12.985 0.988 ( 3.897 12.005 3.047) 12.985 1.126 ( 3.866 -12.805 -4.219) 14.025 1.126 ( 3.866 12.805 -4.219) 14.025 1.531 ( 0.205 -4.369 -0.958) 4.478 1.531 ( 0.205 4.369 -0.958) 4.478 1.831 ( 12.502 -14.138 8.341) 20.634 1.831 ( 12.502 14.138 8.341) 20.634 2.028 ( 1.017 -5.157 9.713) 11.044 2.028 ( 1.017 5.157 9.713) 11.044 2.127 ( 0.137 -1.394 0.639) 1.539 2.127 ( 0.137 1.394 0.639) 1.539 2.336 ( 4.825 -5.325 -0.229) 7.190 2.336 ( 4.825 5.325 -0.229) 7.190 2.481 ( 0.822 -2.292 1.137) 2.688 2.481 ( 0.822 2.292 1.137) 2.688 2.656 ( 0.064 -3.678 5.563) 6.669 2.656 ( 0.064 3.678 5.563) 6.669 2.806 ( -3.465 -2.997 1.269) 4.754 2.806 ( -3.465 2.997 1.269) 4.754 3.072 ( 0.081 -3.464 3.161) 4.690 3.072 ( 0.081 3.464 3.161) 4.690 3.214 ( -7.773 -4.022 -0.040) 8.752 3.214 ( -7.773 4.022 -0.040) 8.752 3.393 ( -0.463 -2.631 5.489) 6.105 3.393 ( -0.463 2.631 5.489) 6.105 3.604 ( -1.280 -8.948 -5.909) 10.799 3.604 ( -1.280 8.948 -5.909) 10.799 3.802 ( 0.489 -9.449 1.985) 9.668 3.802 ( 0.489 9.449 1.985) 9.668 3.979 ( -3.895 -3.408 0.222) 5.180 3.979 ( -3.895 3.408 0.222) 5.180 4.284 ( -3.404 -3.043 -3.003) 5.465 4.284 ( -3.404 3.043 -3.003) 5.465 4.425 ( 0.588 -6.382 -0.565) 6.434 4.425 ( 0.588 6.382 -0.565) 6.434 4.481 ( 6.483 -2.407 0.217) 6.919 4.481 ( 6.483 2.407 0.217) 6.919 4.768 ( -0.664 -6.495 0.273) 6.535 4.768 ( -0.664 6.495 0.273) 6.535 4.853 ( 0.890 -1.980 -2.056) 2.989 4.853 ( 0.890 1.980 -2.056) 2.989 5.030 ( -5.970 -3.922 -3.925) 8.151 5.030 ( -5.970 3.922 -3.925) 8.151 5.225 ( 3.234 -3.993 0.032) 5.139 5.225 ( 3.234 3.993 0.032) 5.139 5.447 ( -1.059 -1.814 0.724) 2.221 5.447 ( -1.059 1.814 0.724) 2.221 5.722 ( -2.240 -5.134 -0.427) 5.617 5.722 ( -2.240 5.134 -0.427) 5.617 6.050 ( -5.983 -1.156 -5.567) 8.254 6.050 ( -5.983 1.156 -5.567) 8.254 6.305 ( -0.048 -3.850 3.538) 5.229 6.305 ( -0.048 3.850 3.538) 5.229 6.473 ( -2.235 -5.151 -0.424) 5.631 6.473 ( -2.235 5.151 -0.424) 5.631 6.721 ( 1.322 -1.618 2.699) 3.413 6.721 ( 1.322 1.618 2.699) 3.413 6.971 ( 2.112 -2.181 -0.079) 3.037 6.971 ( 2.112 2.181 -0.079) 3.037 8.607 ( -0.410 -0.742 -4.066) 4.154 8.607 ( -0.410 0.742 -4.066) 4.154 8.750 ( -4.670 -4.827 0.804) 6.765 8.750 ( -4.670 4.827 0.804) 6.765 9.260 ( 3.169 -3.352 2.016) 5.034 9.260 ( 3.169 3.352 2.016) 5.034 9.296 ( 0.926 -1.447 3.438) 3.844 9.296 ( 0.926 1.447 3.438) 3.844 9.571 ( 0.502 -3.401 -0.605) 3.491 9.571 ( 0.502 3.401 -0.605) 3.491 9.966 ( 0.840 -4.596 -3.866) 6.064 9.966 ( 0.840 4.596 -3.866) 6.064 10.274 ( 8.135 -1.363 -1.216) 8.338 10.274 ( 8.135 1.363 -1.216) 8.338 10.560 ( 9.357 -2.568 0.668) 9.726 10.560 ( 9.357 2.568 0.668) 9.726 11.206 ( -2.024 -3.078 0.697) 3.749 11.206 ( -2.024 3.078 0.697) 3.749 11.244 ( -0.390 -1.889 0.720) 2.059 11.244 ( -0.390 1.889 0.720) 2.059 11.972 ( 0.382 -1.677 2.075) 2.695 11.972 ( 0.382 1.677 2.075) 2.695 12.291 ( -2.928 -0.566 -5.831) 6.549 12.291 ( -2.928 0.566 -5.831) 6.549 20.248 ( 1.534 -1.279 -0.904) 2.192 20.248 ( 1.534 1.279 -0.904) 2.192 20.692 ( -2.306 -1.658 7.492) 8.013 20.692 ( -2.306 1.658 7.492) 8.013 21.458 ( 1.231 -1.046 -0.699) 1.760 21.458 ( 1.231 1.046 -0.699) 1.760 22.006 ( -2.106 -3.678 -3.574) 5.545 22.006 ( -2.106 3.678 -3.574) 5.545 22.264 ( 1.197 -0.936 0.869) 1.750 22.264 ( 1.197 0.936 0.869) 1.750 22.403 ( 3.023 -1.620 -2.825) 4.443 22.403 ( 3.023 1.620 -2.825) 4.443 22.776 ( -2.710 -4.600 5.508) 7.671 22.776 ( -2.710 4.600 5.508) 7.671 22.870 ( 0.384 -2.159 3.473) 4.108 22.870 ( 0.384 2.159 3.473) 4.108 23.170 ( 0.593 -1.667 -0.744) 1.920 23.170 ( 0.593 1.667 -0.744) 1.920 23.520 ( 3.552 -4.499 0.031) 5.732 23.520 ( 3.552 4.499 0.031) 5.732 23.965 ( -1.585 -2.351 1.644) 3.277 23.965 ( -1.585 2.351 1.644) 3.277 24.287 ( -6.527 -2.246 -0.226) 6.906 24.287 ( -6.527 2.246 -0.226) 6.906 ======================= Grid point 24 (14/96) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( -2.037 -2.294 -7.145) 7.776 0.972 ( -2.037 2.294 -7.145) 7.776 1.148 ( 5.452 -2.022 -2.101) 6.183 1.148 ( 5.452 2.022 -2.101) 6.183 1.594 ( 4.364 -9.011 3.643) 10.654 1.594 ( 4.364 9.011 3.643) 10.654 2.009 ( 3.424 -4.441 -3.254) 6.483 2.009 ( 3.424 4.441 -3.254) 6.483 2.145 ( 2.869 -1.457 2.110) 3.848 2.145 ( 2.869 1.457 2.110) 3.848 2.194 ( 6.191 -5.737 8.863) 12.239 2.194 ( 6.191 5.737 8.863) 12.239 2.423 ( 2.874 -3.301 2.927) 5.266 2.423 ( 2.874 3.301 2.927) 5.266 2.523 ( 2.249 -4.757 2.089) 5.662 2.523 ( 2.249 4.757 2.089) 5.662 2.718 ( -2.206 -3.609 1.790) 4.593 2.718 ( -2.206 3.609 1.790) 4.593 2.779 ( -2.753 -6.727 8.740) 11.367 2.779 ( -2.753 6.727 8.740) 11.367 3.080 ( -3.620 -5.450 2.069) 6.862 3.080 ( -3.620 5.450 2.069) 6.862 3.112 ( -3.675 -2.355 -1.372) 4.575 3.112 ( -3.675 2.355 -1.372) 4.575 3.409 ( -1.897 -0.908 0.817) 2.257 3.409 ( -1.897 0.908 0.817) 2.257 3.577 ( 1.258 -7.502 -0.147) 7.608 3.577 ( 1.258 7.502 -0.147) 7.608 3.841 ( 1.113 -4.604 2.609) 5.407 3.841 ( 1.113 4.604 2.609) 5.407 3.917 ( -3.637 -2.530 -0.082) 4.431 3.917 ( -3.637 2.530 -0.082) 4.431 4.202 ( -2.964 -2.205 -2.351) 4.378 4.202 ( -2.964 2.205 -2.351) 4.378 4.416 ( 0.752 -5.088 -0.798) 5.205 4.416 ( 0.752 5.088 -0.798) 5.205 4.607 ( 6.515 -0.512 1.985) 6.830 4.607 ( 6.515 0.512 1.985) 6.830 4.763 ( -1.328 -4.524 0.135) 4.717 4.763 ( -1.328 4.524 0.135) 4.717 4.865 ( 3.543 -2.055 -1.630) 4.408 4.865 ( 3.543 2.055 -1.630) 4.408 4.913 ( -2.669 -2.290 -2.584) 4.364 4.913 ( -2.669 2.290 -2.584) 4.364 5.225 ( -2.765 -4.397 -0.823) 5.259 5.225 ( -2.765 4.397 -0.823) 5.259 5.445 ( 0.121 -2.530 -0.391) 2.563 5.445 ( 0.121 2.530 -0.391) 2.563 5.663 ( -3.861 -1.744 -1.637) 4.542 5.663 ( -3.861 1.744 -1.637) 4.542 5.921 ( -3.082 -1.136 -3.978) 5.159 5.921 ( -3.082 1.136 -3.978) 5.159 6.310 ( -3.411 -2.632 1.439) 4.542 6.310 ( -3.411 2.632 1.439) 4.542 6.438 ( -1.018 -3.055 -0.405) 3.246 6.438 ( -1.018 3.055 -0.405) 3.246 6.781 ( 2.515 -1.514 2.330) 3.748 6.781 ( 2.515 1.514 2.330) 3.748 6.987 ( 0.858 -1.481 -0.865) 1.918 6.987 ( 0.858 1.481 -0.865) 1.918 8.567 ( -0.005 -1.074 -2.595) 2.809 8.567 ( -0.005 1.074 -2.595) 2.809 8.686 ( -3.679 -5.954 -0.288) 7.004 8.686 ( -3.679 5.954 -0.288) 7.004 9.267 ( -0.017 -0.735 -0.388) 0.831 9.267 ( -0.017 0.735 -0.388) 0.831 9.398 ( 2.600 -2.197 3.857) 5.145 9.398 ( 2.600 2.197 3.857) 5.145 9.607 ( 2.911 -1.212 2.404) 3.965 9.607 ( 2.911 1.212 2.404) 3.965 9.917 ( -1.253 -4.992 -3.763) 6.375 9.917 ( -1.253 4.992 -3.763) 6.375 10.388 ( 7.283 -1.469 -0.065) 7.430 10.388 ( 7.283 1.469 -0.065) 7.430 10.689 ( 7.544 -5.176 -1.212) 9.229 10.689 ( 7.544 5.176 -1.212) 9.229 11.165 ( -3.401 -3.848 -0.201) 5.139 11.165 ( -3.401 3.848 -0.201) 5.139 11.241 ( -0.900 -2.006 0.492) 2.253 11.241 ( -0.900 2.006 0.492) 2.253 12.000 ( 0.248 -1.118 1.770) 2.108 12.000 ( 0.248 1.118 1.770) 2.108 12.205 ( -1.407 -0.445 -3.427) 3.732 12.205 ( -1.407 0.445 -3.427) 3.732 20.258 ( 1.464 -1.115 -1.251) 2.225 20.258 ( 1.464 1.115 -1.251) 2.225 20.729 ( -2.626 -1.154 5.688) 6.370 20.729 ( -2.626 1.154 5.688) 6.370 21.467 ( 0.886 -1.387 -0.572) 1.742 21.467 ( 0.886 1.387 -0.572) 1.742 21.941 ( -1.831 -3.450 -2.379) 4.573 21.941 ( -1.831 3.450 -2.379) 4.573 22.278 ( 0.587 -0.226 -0.307) 0.700 22.278 ( 0.587 0.226 -0.307) 0.700 22.430 ( 3.058 -3.630 -1.168) 4.888 22.430 ( 3.058 3.630 -1.168) 4.888 22.782 ( -2.831 -4.308 3.233) 6.085 22.782 ( -2.831 4.308 3.233) 6.085 22.905 ( -0.231 -2.501 2.277) 3.390 22.905 ( -0.231 2.501 2.277) 3.390 23.183 ( 1.743 -4.571 -0.448) 4.912 23.183 ( 1.743 4.571 -0.448) 4.912 23.580 ( 3.086 -3.803 1.315) 5.072 23.580 ( 3.086 3.803 1.315) 5.072 23.955 ( -1.883 -3.528 1.056) 4.137 23.955 ( -1.883 3.528 1.056) 4.137 24.193 ( -4.884 -1.856 -0.320) 5.235 24.193 ( -4.884 1.856 -0.320) 5.235 ======================= Grid point 26 (15/96) ======================= q-point: ( 0.44 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( -0.850 -1.092 -3.870) 4.110 0.876 ( -0.850 1.092 -3.870) 4.110 1.191 ( 1.719 -3.961 -0.511) 4.348 1.191 ( 1.719 3.961 -0.511) 4.348 1.700 ( 2.915 -5.472 3.071) 6.919 1.700 ( 2.915 5.472 3.071) 6.919 1.967 ( -0.077 -1.870 -4.446) 4.823 1.967 ( -0.077 1.870 -4.446) 4.823 2.223 ( 2.935 -4.802 1.650) 5.864 2.223 ( 2.935 4.802 1.650) 5.864 2.342 ( 4.175 -3.790 1.529) 5.842 2.342 ( 4.175 3.790 1.529) 5.842 2.446 ( -2.976 -3.721 1.558) 5.013 2.446 ( -2.976 3.721 1.558) 5.013 2.591 ( 2.339 -2.539 2.999) 4.573 2.591 ( 2.339 2.539 2.999) 4.573 2.669 ( -3.079 -8.138 -0.143) 8.702 2.669 ( -3.079 8.138 -0.143) 8.702 2.893 ( 3.164 -2.110 6.619) 7.634 2.893 ( 3.164 2.110 6.619) 7.634 3.025 ( -3.279 -2.367 1.005) 4.167 3.025 ( -3.279 2.367 1.005) 4.167 3.056 ( -1.969 -1.052 -3.574) 4.213 3.056 ( -1.969 1.052 -3.574) 4.213 3.390 ( -0.664 -1.165 -0.237) 1.362 3.390 ( -0.664 1.165 -0.237) 1.362 3.590 ( 0.251 -8.033 0.086) 8.037 3.590 ( 0.251 8.033 0.086) 8.037 3.863 ( -0.339 -9.853 -0.423) 9.867 3.863 ( -0.339 9.853 -0.423) 9.867 3.902 ( -0.401 -5.230 2.602) 5.855 3.902 ( -0.401 5.230 2.602) 5.855 4.146 ( -1.217 -1.176 -1.331) 2.153 4.146 ( -1.217 1.176 -1.331) 2.153 4.440 ( 1.430 -1.687 0.980) 2.419 4.440 ( 1.430 1.687 0.980) 2.419 4.675 ( 0.697 -4.883 -1.708) 5.219 4.675 ( 0.697 4.883 -1.708) 5.219 4.726 ( -1.387 -3.140 0.867) 3.540 4.726 ( -1.387 3.140 0.867) 3.540 4.904 ( 2.453 -0.794 0.140) 2.582 4.904 ( 2.453 0.794 0.140) 2.582 4.931 ( 3.746 -3.939 0.101) 5.437 4.931 ( 3.746 3.939 0.101) 5.437 5.152 ( -4.324 -5.238 -0.433) 6.806 5.152 ( -4.324 5.238 -0.433) 6.806 5.434 ( -0.321 -2.405 -0.732) 2.535 5.434 ( -0.321 2.405 -0.732) 2.535 5.584 ( -2.609 -1.056 -1.783) 3.332 5.584 ( -2.609 1.056 -1.783) 3.332 5.871 ( -0.316 -1.864 -1.001) 2.140 5.871 ( -0.316 1.864 -1.001) 2.140 6.266 ( -1.922 -6.510 -0.165) 6.790 6.266 ( -1.922 6.510 -0.165) 6.790 6.427 ( -0.339 -3.321 -0.033) 3.338 6.427 ( -0.339 3.321 -0.033) 3.338 6.834 ( 1.288 -1.763 1.178) 2.481 6.834 ( 1.288 1.763 1.178) 2.481 6.986 ( 0.163 -1.510 -0.445) 1.582 6.986 ( 0.163 1.510 -0.445) 1.582 8.547 ( 0.079 -1.462 -1.021) 1.785 8.547 ( 0.079 1.462 -1.021) 1.785 8.642 ( -1.435 -6.351 -0.157) 6.513 8.642 ( -1.435 6.351 -0.157) 6.513 9.265 ( 0.034 -0.192 -0.074) 0.208 9.265 ( 0.034 0.192 -0.074) 0.208 9.445 ( 0.646 -0.579 0.750) 1.147 9.445 ( 0.646 0.579 0.750) 1.147 9.693 ( 2.466 -2.388 3.352) 4.798 9.693 ( 2.466 2.388 3.352) 4.798 9.852 ( -1.497 -4.914 -2.975) 5.936 9.852 ( -1.497 4.914 -2.975) 5.936 10.478 ( 3.350 -1.153 0.390) 3.564 10.478 ( 3.350 1.153 0.390) 3.564 10.756 ( 2.863 -5.527 -1.069) 6.316 10.756 ( 2.863 5.527 -1.069) 6.316 11.116 ( -2.007 -3.488 -0.099) 4.026 11.116 ( -2.007 3.488 -0.099) 4.026 11.232 ( -0.527 -1.771 0.105) 1.851 11.232 ( -0.527 1.771 0.105) 1.851 12.016 ( 0.026 -1.015 0.635) 1.197 12.016 ( 0.026 1.015 0.635) 1.197 12.168 ( -0.316 -0.328 -1.022) 1.119 12.168 ( -0.316 0.328 -1.022) 1.119 20.264 ( 0.623 -0.682 -0.578) 1.090 20.264 ( 0.623 0.682 -0.578) 1.090 20.744 ( -1.150 -0.952 2.114) 2.588 20.744 ( -1.150 0.952 2.114) 2.588 21.472 ( 0.343 -1.712 -0.220) 1.760 21.472 ( 0.343 1.712 -0.220) 1.760 21.901 ( -0.775 -2.713 -0.844) 2.945 21.901 ( -0.775 2.713 -0.844) 2.945 22.283 ( 0.335 -0.471 -0.141) 0.595 22.283 ( 0.335 0.471 -0.141) 0.595 22.457 ( 1.229 -3.357 -0.267) 3.585 22.457 ( 1.229 3.357 -0.267) 3.585 22.772 ( -1.199 -3.915 0.863) 4.184 22.772 ( -1.199 3.915 0.863) 4.184 22.917 ( -0.302 -2.166 0.796) 2.327 22.917 ( -0.302 2.166 0.796) 2.327 23.202 ( 0.904 -7.005 -0.205) 7.066 23.202 ( 0.904 7.005 -0.205) 7.066 23.634 ( 1.557 -3.678 1.052) 4.130 23.634 ( 1.557 3.678 1.052) 4.130 23.932 ( -1.349 -4.450 0.036) 4.650 23.932 ( -1.349 4.450 0.036) 4.650 24.141 ( -1.602 -0.749 -0.067) 1.770 24.141 ( -1.602 0.749 -0.067) 1.770 ======================= Grid point 45 (16/96) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.341 ( -5.771 0.000 17.327) 18.263 0.398 ( 3.347 0.000 19.915) 20.194 0.604 ( 13.198 0.000 26.527) 29.629 1.485 ( 0.615 0.000 6.416) 6.445 1.508 ( 1.439 0.000 8.036) 8.164 1.648 ( -3.315 0.000 -0.462) 3.347 1.672 ( -1.466 0.000 -0.662) 1.609 1.867 ( 4.404 0.000 3.388) 5.556 1.989 ( 3.134 0.000 4.832) 5.759 1.994 ( 0.470 0.000 7.200) 7.215 2.074 ( 0.454 0.000 -7.845) 7.858 2.103 ( -0.160 0.000 4.527) 4.530 2.257 ( 2.167 0.000 0.853) 2.329 2.317 ( -2.921 0.000 -0.444) 2.954 2.347 ( -1.130 0.000 -5.010) 5.136 2.648 ( -5.765 0.000 -3.658) 6.828 2.692 ( 1.565 0.000 -1.548) 2.202 2.708 ( 2.222 0.000 0.507) 2.279 2.881 ( 0.087 0.000 -0.815) 0.819 2.912 ( -0.199 0.000 3.532) 3.538 2.952 ( -2.531 0.000 -1.388) 2.887 3.030 ( 4.238 0.000 2.436) 4.888 3.206 ( -1.331 0.000 9.667) 9.759 3.218 ( -0.914 0.000 -4.604) 4.694 3.382 ( -0.808 0.000 4.536) 4.607 3.536 ( -0.277 0.000 3.566) 3.577 3.637 ( -5.382 0.000 -1.558) 5.603 3.704 ( 5.542 0.000 -0.278) 5.549 3.767 ( 2.914 0.000 3.780) 4.773 3.874 ( -3.253 0.000 -3.153) 4.530 4.071 ( 1.569 0.000 -3.147) 3.517 4.126 ( -1.990 0.000 3.027) 3.623 4.163 ( 4.613 0.000 1.774) 4.942 4.178 ( -2.665 0.000 -1.723) 3.174 4.204 ( -1.602 0.000 0.701) 1.749 4.378 ( -0.342 0.000 0.374) 0.507 4.408 ( 0.782 0.000 0.611) 0.993 4.502 ( 0.786 0.000 0.926) 1.215 4.540 ( -1.362 0.000 4.522) 4.723 4.753 ( -4.011 0.000 -1.544) 4.297 4.867 ( -2.682 0.000 -5.240) 5.886 4.975 ( 0.371 0.000 -4.181) 4.198 5.084 ( -0.608 0.000 -3.060) 3.119 5.101 ( -2.212 0.000 1.374) 2.604 5.154 ( 5.367 0.000 5.644) 7.788 5.239 ( -6.921 0.000 -2.534) 7.370 5.435 ( 1.691 0.000 -1.215) 2.082 5.487 ( 3.124 0.000 -1.056) 3.298 5.592 ( 0.810 0.000 -0.962) 1.257 5.956 ( 7.029 0.000 -8.690) 11.177 6.138 ( -4.975 0.000 -4.620) 6.789 6.209 ( -1.888 0.000 -0.028) 1.888 6.223 ( -1.461 0.000 -6.252) 6.420 6.387 ( 1.429 0.000 4.693) 4.906 6.433 ( -1.692 0.000 7.361) 7.553 6.586 ( 4.715 0.000 5.276) 7.076 6.660 ( 0.515 0.000 0.070) 0.519 6.804 ( 1.292 0.000 -2.749) 3.037 6.921 ( -0.045 0.000 0.668) 0.669 6.941 ( 25.116 0.000 -3.543) 25.364 8.482 ( -0.240 0.000 1.847) 1.863 8.598 ( -0.161 0.000 -5.263) 5.266 8.695 ( -0.480 0.000 -4.158) 4.186 8.803 ( 3.215 0.000 -0.292) 3.229 9.120 ( 7.039 0.000 5.146) 8.719 9.270 ( 2.678 0.000 0.534) 2.731 9.280 ( -1.687 0.000 1.323) 2.144 9.314 ( -2.337 0.000 1.700) 2.890 9.458 ( -1.191 0.000 0.586) 1.327 9.739 ( -2.518 0.000 -1.032) 2.721 9.838 ( -12.319 0.000 -2.278) 12.528 9.951 ( 0.346 0.000 -1.472) 1.512 10.138 ( -3.615 0.000 2.537) 4.417 10.227 ( 5.121 0.000 2.123) 5.544 10.397 ( -24.828 0.000 -0.159) 24.829 10.444 ( -0.383 0.000 -0.012) 0.383 11.196 ( 0.125 0.000 0.167) 0.209 11.217 ( 0.769 0.000 -0.212) 0.798 11.292 ( 0.121 0.000 0.105) 0.160 11.384 ( 7.032 0.000 -1.847) 7.271 11.911 ( 1.733 0.000 3.471) 3.880 12.078 ( -0.311 0.000 0.760) 0.821 12.137 ( -7.460 0.000 -1.574) 7.624 12.190 ( 0.274 0.000 -1.299) 1.327 20.215 ( -0.535 0.000 -1.629) 1.714 20.237 ( 0.443 0.000 -1.758) 1.813 20.808 ( 0.581 0.000 2.902) 2.959 20.945 ( 18.036 0.000 0.896) 18.058 21.480 ( -1.869 0.000 2.433) 3.069 21.723 ( -33.552 0.000 0.951) 33.565 21.973 ( -0.188 0.000 -3.445) 3.450 22.091 ( 1.925 0.000 -4.499) 4.894 22.201 ( 0.059 0.000 0.282) 0.289 22.254 ( -1.026 0.000 -1.585) 1.888 22.303 ( 3.451 0.000 0.301) 3.464 22.535 ( -1.629 0.000 -4.126) 4.436 22.540 ( 1.223 0.000 3.893) 4.080 22.778 ( 10.305 0.000 3.326) 10.829 22.854 ( 0.442 0.000 6.223) 6.238 23.007 ( -5.365 0.000 -2.301) 5.837 23.083 ( 0.597 0.000 -1.294) 1.425 23.259 ( -2.524 0.000 3.014) 3.931 23.261 ( 2.384 0.000 2.360) 3.355 23.753 ( 22.896 0.000 -5.142) 23.467 23.804 ( -0.798 0.000 1.016) 1.292 23.961 ( 14.350 0.000 1.413) 14.419 24.144 ( 9.427 0.000 1.097) 9.491 24.422 ( -0.309 0.000 -0.573) 0.651 ======================= Grid point 46 (17/96) ======================= q-point: ( 0.11 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.523 ( 4.393 0.000 13.074) 13.793 0.739 ( 11.242 0.000 16.452) 19.926 1.085 ( 16.051 0.000 15.069) 22.016 1.483 ( -0.242 0.000 -4.245) 4.252 1.498 ( -6.197 0.000 -8.346) 10.396 1.601 ( 0.323 0.000 4.397) 4.409 1.729 ( 0.066 0.000 5.768) 5.768 1.971 ( 2.064 0.000 -3.489) 4.054 1.996 ( 2.225 0.000 4.872) 5.356 2.029 ( -3.262 0.000 3.576) 4.840 2.106 ( 3.542 0.000 3.602) 5.052 2.128 ( -0.681 0.000 -1.286) 1.455 2.300 ( 0.626 0.000 -0.766) 0.990 2.319 ( 0.899 0.000 6.843) 6.901 2.380 ( 3.465 0.000 7.344) 8.120 2.506 ( -3.914 0.000 -6.176) 7.312 2.718 ( 3.054 0.000 0.066) 3.054 2.766 ( 2.732 0.000 2.354) 3.606 2.883 ( -0.018 0.000 1.138) 1.139 2.893 ( -0.617 0.000 -2.645) 2.716 2.965 ( -0.483 0.000 4.949) 4.972 3.137 ( 4.768 0.000 2.865) 5.563 3.189 ( -0.257 0.000 1.796) 1.815 3.287 ( -2.122 0.000 7.762) 8.047 3.399 ( -2.852 0.000 3.448) 4.475 3.507 ( -7.846 0.000 -1.391) 7.968 3.540 ( -5.901 0.000 6.310) 8.639 3.733 ( -0.313 0.000 -4.540) 4.551 3.772 ( -4.386 0.000 -2.483) 5.040 3.826 ( -0.319 0.000 5.066) 5.076 4.060 ( -1.929 0.000 -0.884) 2.122 4.078 ( -3.369 0.000 -1.274) 3.602 4.167 ( 4.925 0.000 0.816) 4.992 4.218 ( 1.518 0.000 0.990) 1.812 4.269 ( 5.455 0.000 0.833) 5.519 4.447 ( 2.592 0.000 0.516) 2.643 4.458 ( 3.315 0.000 4.163) 5.322 4.476 ( -2.896 0.000 -0.469) 2.934 4.633 ( 4.260 0.000 -0.424) 4.281 4.706 ( -0.556 0.000 3.946) 3.985 4.778 ( -0.609 0.000 -5.184) 5.220 4.923 ( 0.300 0.000 -5.343) 5.352 5.057 ( -3.562 0.000 -0.791) 3.649 5.064 ( 2.513 0.000 -2.327) 3.425 5.106 ( -6.991 0.000 -2.878) 7.560 5.308 ( 4.998 0.000 4.068) 6.444 5.428 ( -0.544 0.000 -1.923) 1.998 5.522 ( 2.063 0.000 -0.903) 2.252 5.598 ( 0.510 0.000 1.178) 1.284 5.869 ( -3.249 0.000 -8.269) 8.884 6.023 ( -4.311 0.000 -3.256) 5.402 6.086 ( -7.259 0.000 -2.834) 7.793 6.196 ( 0.457 0.000 -0.300) 0.546 6.394 ( -4.097 0.000 -0.499) 4.128 6.492 ( 1.895 0.000 2.753) 3.342 6.697 ( 1.388 0.000 3.832) 4.075 6.697 ( 3.735 0.000 -0.407) 3.758 6.811 ( 3.204 0.000 -0.347) 3.223 6.940 ( 0.375 0.000 1.650) 1.692 6.942 ( -4.939 0.000 -7.164) 8.702 8.493 ( -1.213 0.000 1.883) 2.240 8.535 ( -0.356 0.000 -4.668) 4.681 8.635 ( -0.420 0.000 -4.893) 4.911 8.846 ( 1.749 0.000 -0.768) 1.911 9.224 ( 1.870 0.000 4.078) 4.487 9.259 ( -1.527 0.000 -0.167) 1.536 9.294 ( -1.655 0.000 0.322) 1.686 9.403 ( 9.081 0.000 4.072) 9.953 9.450 ( -1.401 0.000 1.583) 2.114 9.691 ( -1.834 0.000 -0.376) 1.872 9.814 ( 4.981 0.000 -5.203) 7.203 9.965 ( 6.603 0.000 -3.825) 7.631 10.121 ( -0.750 0.000 1.186) 1.403 10.302 ( -0.491 0.000 3.883) 3.914 10.383 ( 7.259 0.000 2.912) 7.821 10.463 ( 4.969 0.000 0.698) 5.018 11.188 ( -1.616 0.000 0.105) 1.620 11.221 ( -0.011 0.000 -0.134) 0.134 11.299 ( 0.420 0.000 0.018) 0.420 11.390 ( 0.486 0.000 -4.404) 4.431 11.982 ( 0.481 0.000 4.470) 4.496 12.072 ( -0.430 0.000 -1.235) 1.307 12.078 ( -0.712 0.000 0.481) 0.860 12.177 ( 0.079 0.000 -1.410) 1.413 20.189 ( 0.289 0.000 -2.130) 2.149 20.232 ( 1.607 0.000 -2.111) 2.653 20.835 ( -1.997 0.000 3.961) 4.436 21.013 ( -3.341 0.000 -0.609) 3.396 21.461 ( -6.672 0.000 4.430) 8.009 21.507 ( -4.246 0.000 4.638) 6.288 21.913 ( -1.397 0.000 -3.404) 3.679 22.084 ( 3.068 0.000 -4.173) 5.180 22.208 ( 0.560 0.000 0.309) 0.640 22.238 ( 0.265 0.000 0.735) 0.781 22.389 ( 6.141 0.000 0.043) 6.141 22.446 ( -3.259 0.000 -4.489) 5.547 22.601 ( 0.835 0.000 3.477) 3.576 22.882 ( 1.969 0.000 1.816) 2.678 22.921 ( -0.894 0.000 5.482) 5.554 22.928 ( -2.363 0.000 -1.978) 3.082 23.096 ( 0.927 0.000 1.070) 1.415 23.253 ( -1.444 0.000 2.378) 2.782 23.345 ( 4.145 0.000 3.211) 5.244 23.771 ( 2.508 0.000 -7.589) 7.992 23.796 ( -1.627 0.000 0.813) 1.819 24.084 ( 0.887 0.000 2.900) 3.033 24.235 ( 2.084 0.000 -2.866) 3.544 24.381 ( -3.276 0.000 -1.631) 3.659 ======================= Grid point 47 (18/96) ======================= q-point: ( 0.22 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.710 ( 4.243 0.000 7.354) 8.490 1.075 ( 10.144 0.000 12.448) 16.058 1.293 ( -6.244 0.000 -9.948) 11.745 1.420 ( -2.387 0.000 -1.853) 3.022 1.435 ( 11.430 0.000 9.423) 14.814 1.628 ( 1.880 0.000 -0.282) 1.901 1.792 ( 4.614 0.000 -0.135) 4.616 1.933 ( 3.696 0.000 -6.878) 7.808 2.029 ( -2.690 0.000 2.736) 3.837 2.071 ( 1.321 0.000 -5.138) 5.305 2.135 ( 0.129 0.000 8.851) 8.851 2.206 ( 5.238 0.000 4.434) 6.863 2.352 ( 4.286 0.000 -0.808) 4.361 2.408 ( 0.594 0.000 0.749) 0.956 2.412 ( 1.144 0.000 -3.317) 3.509 2.462 ( -1.622 0.000 6.657) 6.852 2.769 ( 2.982 0.000 1.100) 3.179 2.812 ( 0.478 0.000 -0.009) 0.478 2.903 ( -2.802 0.000 5.424) 6.105 2.919 ( 3.666 0.000 1.247) 3.872 2.987 ( -1.961 0.000 2.257) 2.990 3.205 ( -0.506 0.000 3.944) 3.976 3.269 ( -5.017 0.000 -0.836) 5.086 3.273 ( 3.711 0.000 6.903) 7.837 3.371 ( -7.889 0.000 -1.137) 7.970 3.400 ( -1.550 0.000 2.034) 2.557 3.512 ( -7.502 0.000 6.710) 10.065 3.635 ( -4.264 0.000 -4.433) 6.151 3.701 ( -4.321 0.000 1.829) 4.692 3.867 ( -0.941 0.000 3.518) 3.642 4.024 ( -2.101 0.000 -1.797) 2.764 4.050 ( 0.692 0.000 1.062) 1.267 4.251 ( 1.823 0.000 -0.703) 1.953 4.261 ( 3.054 0.000 2.468) 3.927 4.358 ( 4.583 0.000 1.639) 4.867 4.382 ( -2.741 0.000 -2.503) 3.712 4.493 ( 2.744 0.000 1.061) 2.942 4.558 ( 2.570 0.000 1.688) 3.075 4.620 ( 0.468 0.000 -1.268) 1.352 4.743 ( 2.197 0.000 -3.055) 3.763 4.816 ( 2.572 0.000 1.296) 2.880 4.875 ( 1.488 0.000 -4.864) 5.086 4.983 ( -5.339 0.000 0.989) 5.430 5.011 ( 0.651 0.000 -0.579) 0.872 5.100 ( 1.807 0.000 0.767) 1.963 5.360 ( -0.741 0.000 0.633) 0.975 5.382 ( -1.436 0.000 -2.443) 2.833 5.526 ( 0.427 0.000 -1.208) 1.281 5.619 ( 0.227 0.000 -0.057) 0.234 5.712 ( -6.036 0.000 -6.101) 8.582 5.912 ( -5.085 0.000 -3.959) 6.445 5.962 ( -5.670 0.000 -0.891) 5.740 6.263 ( 5.186 0.000 5.019) 7.217 6.290 ( -6.336 0.000 -2.867) 6.955 6.507 ( -2.229 0.000 -0.180) 2.236 6.682 ( -0.891 0.000 -3.818) 3.921 6.752 ( -0.126 0.000 -1.632) 1.637 6.818 ( -1.183 0.000 1.357) 1.800 6.880 ( 4.952 0.000 -1.162) 5.087 6.957 ( -1.124 0.000 1.848) 2.163 8.482 ( -1.657 0.000 0.029) 1.657 8.490 ( 0.099 0.000 -2.766) 2.768 8.584 ( -0.447 0.000 -2.353) 2.395 8.835 ( -1.073 0.000 -1.626) 1.948 9.240 ( 0.556 0.000 -1.730) 1.817 9.274 ( -0.627 0.000 -0.548) 0.833 9.314 ( 3.582 0.000 4.189) 5.511 9.453 ( -1.911 0.000 3.504) 3.991 9.594 ( 8.273 0.000 5.018) 9.676 9.678 ( -0.645 0.000 1.062) 1.242 9.786 ( -0.272 0.000 -4.300) 4.309 10.000 ( 4.010 0.000 -6.923) 8.000 10.184 ( 8.815 0.000 -0.226) 8.817 10.382 ( 4.445 0.000 3.366) 5.576 10.449 ( 2.100 0.000 1.227) 2.432 10.648 ( 12.457 0.000 2.233) 12.655 11.145 ( -4.083 0.000 -0.103) 4.084 11.211 ( -0.798 0.000 -0.568) 0.980 11.296 ( -0.823 0.000 -0.326) 0.886 11.332 ( -1.519 0.000 -3.540) 3.852 12.005 ( -1.671 0.000 2.124) 2.702 12.067 ( -0.828 0.000 -0.195) 0.851 12.089 ( 2.093 0.000 0.694) 2.205 12.164 ( 0.093 0.000 -0.981) 0.986 20.182 ( 1.643 0.000 -1.591) 2.287 20.237 ( 2.062 0.000 -1.897) 2.801 20.839 ( -3.070 0.000 3.525) 4.674 20.922 ( -7.464 0.000 0.608) 7.488 21.434 ( -3.109 0.000 3.359) 4.576 21.518 ( -1.584 0.000 3.458) 3.804 21.872 ( 0.282 0.000 -2.035) 2.054 22.078 ( 1.111 0.000 -2.502) 2.737 22.225 ( 1.234 0.000 0.164) 1.245 22.280 ( 3.145 0.000 1.226) 3.375 22.343 ( -3.620 0.000 -3.738) 5.203 22.472 ( 5.011 0.000 -0.901) 5.091 22.641 ( 0.293 0.000 2.182) 2.202 22.879 ( -1.041 0.000 -2.421) 2.635 22.911 ( 0.152 0.000 1.115) 1.126 22.948 ( -1.442 0.000 2.721) 3.080 23.098 ( -2.585 0.000 0.757) 2.694 23.299 ( 2.469 0.000 4.213) 4.884 23.447 ( 4.686 0.000 2.255) 5.201 23.720 ( 1.887 0.000 -6.940) 7.192 23.772 ( -2.171 0.000 0.168) 2.178 24.111 ( -1.080 0.000 2.063) 2.328 24.204 ( -2.459 0.000 -0.130) 2.463 24.292 ( -4.906 0.000 -2.556) 5.532 ======================= Grid point 48 (19/96) ======================= q-point: ( 0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.832 ( 2.607 0.000 5.785) 6.345 1.085 ( -4.845 0.000 -8.134) 9.468 1.282 ( 1.151 0.000 4.191) 4.346 1.460 ( 6.260 0.000 7.703) 9.926 1.576 ( -4.184 0.000 8.127) 9.141 1.730 ( 11.986 0.000 -5.496) 13.187 1.834 ( -2.945 0.000 -0.885) 3.075 1.953 ( 5.834 0.000 -0.500) 5.856 1.970 ( 3.257 0.000 -4.236) 5.343 2.129 ( 7.383 0.000 -1.515) 7.537 2.192 ( -2.099 0.000 5.634) 6.012 2.329 ( 1.243 0.000 -3.548) 3.759 2.352 ( 6.926 0.000 0.761) 6.967 2.371 ( -5.583 0.000 0.746) 5.632 2.480 ( 1.654 0.000 -2.242) 2.787 2.514 ( 7.699 0.000 2.623) 8.134 2.791 ( -3.277 0.000 1.631) 3.660 2.831 ( 1.466 0.000 2.024) 2.499 2.888 ( -3.878 0.000 0.141) 3.881 2.939 ( -5.707 0.000 -2.620) 6.279 2.993 ( 3.482 0.000 1.591) 3.828 3.183 ( -4.611 0.000 -1.634) 4.892 3.191 ( -1.081 0.000 -1.317) 1.704 3.255 ( -3.988 0.000 -0.792) 4.066 3.359 ( -4.053 0.000 -1.886) 4.470 3.431 ( 1.504 0.000 9.401) 9.521 3.469 ( -5.576 0.000 3.789) 6.742 3.532 ( -2.804 0.000 -2.386) 3.682 3.660 ( -4.031 0.000 1.225) 4.213 3.831 ( -5.776 0.000 -2.961) 6.490 4.019 ( 3.816 0.000 2.166) 4.388 4.082 ( 0.888 0.000 0.876) 1.247 4.172 ( -3.993 0.000 -7.411) 8.418 4.301 ( -0.305 0.000 2.108) 2.130 4.421 ( 2.065 0.000 3.696) 4.234 4.448 ( 3.325 0.000 3.402) 4.757 4.533 ( -0.481 0.000 1.524) 1.598 4.601 ( 5.512 0.000 -1.159) 5.633 4.675 ( 4.129 0.000 3.186) 5.215 4.749 ( -3.177 0.000 -4.926) 5.862 4.758 ( 2.106 0.000 -1.431) 2.547 4.869 ( 3.616 0.000 -2.972) 4.681 4.944 ( -3.522 0.000 2.197) 4.152 5.079 ( -5.305 0.000 0.003) 5.305 5.126 ( 9.206 0.000 2.837) 9.634 5.331 ( -3.124 0.000 -0.763) 3.216 5.356 ( 0.029 0.000 0.762) 0.763 5.528 ( -0.044 0.000 -0.138) 0.145 5.557 ( -4.655 0.000 -4.353) 6.373 5.630 ( 2.622 0.000 -0.289) 2.638 5.784 ( -5.576 0.000 -3.175) 6.417 5.887 ( -3.312 0.000 -0.624) 3.370 6.153 ( -6.260 0.000 -3.130) 7.000 6.426 ( 5.514 0.000 5.866) 8.051 6.446 ( -4.391 0.000 0.625) 4.436 6.613 ( -2.192 0.000 -3.291) 3.954 6.715 ( 2.209 0.000 -4.178) 4.726 6.874 ( 0.089 0.000 4.917) 4.918 6.906 ( 0.106 0.000 -2.175) 2.178 6.953 ( 1.039 0.000 -0.591) 1.196 8.456 ( -0.961 0.000 -0.658) 1.165 8.476 ( 0.544 0.000 -0.536) 0.764 8.568 ( -0.376 0.000 0.441) 0.580 8.790 ( -1.318 0.000 -2.440) 2.773 9.236 ( 2.121 0.000 -2.736) 3.462 9.264 ( 0.188 0.000 -0.827) 0.848 9.411 ( 3.262 0.000 2.623) 4.186 9.469 ( -2.649 0.000 5.216) 5.850 9.686 ( -0.577 0.000 1.869) 1.956 9.703 ( 0.551 0.000 -2.739) 2.794 9.776 ( 3.269 0.000 3.183) 4.563 9.956 ( 1.276 0.000 -6.322) 6.449 10.354 ( 12.894 0.000 -0.501) 12.904 10.486 ( 4.367 0.000 2.073) 4.834 10.500 ( 2.335 0.000 1.043) 2.558 10.848 ( 10.224 0.000 1.952) 10.409 11.062 ( -6.408 0.000 0.159) 6.410 11.186 ( -1.070 0.000 -0.970) 1.444 11.265 ( -2.586 0.000 -0.591) 2.652 11.278 ( -1.303 0.000 -1.491) 1.981 12.000 ( -1.111 0.000 0.908) 1.435 12.053 ( -0.303 0.000 -0.716) 0.777 12.124 ( 0.897 0.000 1.102) 1.421 12.158 ( 0.122 0.000 -0.294) 0.318 20.204 ( 2.594 0.000 -0.417) 2.627 20.252 ( 1.929 0.000 -0.862) 2.113 20.811 ( -6.637 0.000 -0.709) 6.674 20.817 ( -3.136 0.000 0.752) 3.225 21.432 ( -2.201 0.000 3.276) 3.947 21.528 ( -2.141 0.000 3.270) 3.908 21.872 ( 1.764 0.000 -1.103) 2.080 22.063 ( -0.732 0.000 -0.496) 0.885 22.240 ( 0.627 0.000 -0.977) 1.160 22.271 ( -1.369 0.000 -0.771) 1.571 22.340 ( 3.459 0.000 -0.531) 3.500 22.522 ( 3.051 0.000 -0.859) 3.170 22.667 ( 0.921 0.000 1.002) 1.361 22.837 ( 0.184 0.000 -3.731) 3.735 22.924 ( -0.390 0.000 1.734) 1.777 22.938 ( -2.713 0.000 0.846) 2.842 23.061 ( -1.982 0.000 0.393) 2.020 23.386 ( 2.097 0.000 3.073) 3.720 23.523 ( 3.667 0.000 -1.064) 3.819 23.682 ( 2.471 0.000 -4.854) 5.447 23.739 ( -1.707 0.000 -0.351) 1.742 24.092 ( -1.327 0.000 -1.776) 2.217 24.178 ( -2.852 0.000 2.439) 3.753 24.189 ( -4.060 0.000 -2.435) 4.734 ======================= Grid point 49 (20/96) ======================= q-point: (-0.56 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.936 ( 0.594 0.000 8.384) 8.405 0.996 ( 3.121 0.000 -3.694) 4.836 1.339 ( -0.359 0.000 7.583) 7.591 1.575 ( -6.683 0.000 5.654) 8.754 1.659 ( -5.746 0.000 -0.523) 5.770 1.683 ( 1.293 0.000 4.512) 4.694 1.776 ( 7.207 0.000 -9.109) 11.615 2.060 ( 9.276 0.000 -1.780) 9.445 2.064 ( 1.429 0.000 5.115) 5.311 2.196 ( 4.776 0.000 -4.798) 6.770 2.198 ( -4.657 0.000 3.703) 5.950 2.264 ( -7.838 0.000 -0.522) 7.855 2.323 ( 2.745 0.000 -3.520) 4.463 2.428 ( 5.739 0.000 -3.360) 6.650 2.482 ( 1.769 0.000 -2.565) 3.116 2.657 ( 3.487 0.000 0.234) 3.495 2.735 ( -4.110 0.000 -4.888) 6.387 2.775 ( -6.555 0.000 2.394) 6.978 2.828 ( 1.965 0.000 -6.411) 6.705 2.857 ( 1.436 0.000 -1.653) 2.190 3.016 ( -1.596 0.000 0.529) 1.681 3.111 ( -0.111 0.000 -2.389) 2.392 3.199 ( 0.587 0.000 0.148) 0.606 3.212 ( 0.393 0.000 -2.422) 2.454 3.268 ( -3.089 0.000 -1.889) 3.621 3.389 ( -7.631 0.000 -2.990) 8.196 3.417 ( -3.515 0.000 -0.797) 3.605 3.562 ( -1.542 0.000 4.144) 4.421 3.608 ( -2.813 0.000 -0.729) 2.906 3.732 ( 1.073 0.000 -3.010) 3.195 4.021 ( -2.224 0.000 -7.581) 7.901 4.082 ( -0.844 0.000 -0.813) 1.172 4.148 ( 4.659 0.000 5.274) 7.037 4.321 ( -0.453 0.000 2.472) 2.513 4.423 ( -1.455 0.000 -1.858) 2.360 4.515 ( 0.208 0.000 2.198) 2.208 4.525 ( -2.963 0.000 1.415) 3.284 4.647 ( -0.380 0.000 -1.607) 1.651 4.740 ( 4.041 0.000 2.146) 4.575 4.752 ( 3.605 0.000 -0.514) 3.642 4.791 ( 4.296 0.000 -0.470) 4.322 4.907 ( -4.515 0.000 2.876) 5.353 4.908 ( 2.855 0.000 -0.343) 2.876 4.996 ( -4.168 0.000 1.287) 4.362 5.284 ( -1.349 0.000 -0.522) 1.446 5.301 ( 6.953 0.000 2.382) 7.350 5.374 ( -0.319 0.000 2.386) 2.407 5.416 ( -4.268 0.000 -1.634) 4.570 5.557 ( 0.351 0.000 -2.107) 2.136 5.665 ( 1.612 0.000 -1.577) 2.255 5.737 ( 1.298 0.000 4.619) 4.798 5.852 ( -0.792 0.000 0.772) 1.106 6.053 ( -1.755 0.000 -2.624) 3.157 6.418 ( -1.545 0.000 2.604) 3.028 6.475 ( -3.358 0.000 -3.413) 4.788 6.575 ( 1.660 0.000 -0.260) 1.680 6.715 ( 2.269 0.000 -2.625) 3.470 6.883 ( 0.793 0.000 -0.771) 1.106 6.908 ( -1.816 0.000 3.292) 3.759 6.972 ( 1.524 0.000 -0.518) 1.610 8.439 ( -0.419 0.000 -0.461) 0.623 8.493 ( 0.742 0.000 1.629) 1.790 8.585 ( 0.399 0.000 2.706) 2.736 8.752 ( 0.438 0.000 -2.722) 2.757 9.236 ( 2.076 0.000 -3.297) 3.897 9.263 ( 0.863 0.000 -0.338) 0.927 9.439 ( -0.973 0.000 -2.087) 2.302 9.486 ( -3.520 0.000 5.900) 6.870 9.686 ( 1.985 0.000 -0.863) 2.164 9.697 ( -1.156 0.000 2.150) 2.441 9.796 ( -2.093 0.000 -3.492) 4.071 9.958 ( 4.600 0.000 -0.240) 4.606 10.513 ( 4.969 0.000 -0.783) 5.030 10.523 ( 0.109 0.000 -0.808) 0.816 10.565 ( 4.789 0.000 2.231) 5.284 10.973 ( -5.068 0.000 1.180) 5.204 10.987 ( 3.175 0.000 2.299) 3.920 11.169 ( 0.404 0.000 -0.845) 0.937 11.216 ( -1.632 0.000 -0.448) 1.692 11.271 ( 0.623 0.000 1.494) 1.619 11.989 ( -1.093 0.000 -0.122) 1.100 12.044 ( 0.435 0.000 -0.908) 1.007 12.142 ( -0.057 0.000 1.090) 1.092 12.161 ( 0.086 0.000 0.455) 0.463 20.242 ( 1.758 0.000 0.767) 1.918 20.276 ( 1.396 0.000 0.583) 1.513 20.711 ( -3.305 0.000 -3.118) 4.544 20.759 ( -2.184 0.000 -3.540) 4.160 21.443 ( -1.879 0.000 4.246) 4.643 21.528 ( -2.440 0.000 3.014) 3.878 21.882 ( 1.032 0.000 -1.766) 2.046 22.055 ( -0.177 0.000 1.032) 1.048 22.239 ( 1.060 0.000 0.264) 1.093 22.271 ( 0.005 0.000 0.781) 0.781 22.364 ( 1.514 0.000 -2.169) 2.645 22.552 ( 1.658 0.000 0.118) 1.663 22.684 ( 0.113 0.000 -0.322) 0.342 22.803 ( 1.371 0.000 -4.197) 4.416 22.896 ( -1.910 0.000 -0.949) 2.133 22.939 ( -0.491 0.000 1.919) 1.980 23.060 ( -0.324 0.000 2.301) 2.324 23.402 ( -1.519 0.000 -1.635) 2.232 23.520 ( 1.768 0.000 -6.362) 6.603 23.699 ( 3.597 0.000 -0.794) 3.684 23.721 ( -0.302 0.000 0.080) 0.313 24.046 ( -0.073 0.000 -4.006) 4.007 24.135 ( -0.093 0.000 -0.809) 0.814 24.156 ( -3.159 0.000 1.443) 3.473 ======================= Grid point 50 (21/96) ======================= q-point: (-0.44 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.023 ( -5.353 0.000 11.074) 12.299 1.084 ( 9.123 0.000 0.469) 9.135 1.366 ( -10.549 0.000 -4.728) 11.560 1.491 ( -3.265 0.000 9.966) 10.487 1.495 ( -8.381 0.000 2.236) 8.674 1.785 ( 6.496 0.000 -8.359) 10.587 1.824 ( 2.627 0.000 1.483) 3.017 2.007 ( -12.759 0.000 -3.055) 13.120 2.091 ( -4.248 0.000 -3.665) 5.610 2.138 ( -3.215 0.000 -3.790) 4.970 2.165 ( -0.240 0.000 -2.206) 2.219 2.231 ( 6.702 0.000 -1.225) 6.813 2.299 ( -2.383 0.000 -0.671) 2.476 2.391 ( -4.138 0.000 -10.374) 11.169 2.443 ( -4.156 0.000 -2.122) 4.667 2.562 ( 5.835 0.000 -4.500) 7.369 2.711 ( -4.315 0.000 5.218) 6.771 2.821 ( 7.550 0.000 -4.921) 9.012 2.836 ( 0.250 0.000 -2.984) 2.995 2.847 ( 1.723 0.000 3.979) 4.336 3.015 ( -0.934 0.000 -0.178) 0.951 3.099 ( 2.344 0.000 -2.472) 3.406 3.155 ( -1.417 0.000 -2.792) 3.131 3.196 ( 1.506 0.000 -4.276) 4.533 3.213 ( -4.584 0.000 -5.663) 7.286 3.267 ( 1.531 0.000 -0.477) 1.604 3.351 ( -1.570 0.000 -4.025) 4.320 3.570 ( 0.321 0.000 -1.039) 1.088 3.602 ( 1.696 0.000 5.316) 5.580 3.725 ( 1.465 0.000 -4.556) 4.786 3.955 ( 2.208 0.000 -4.723) 5.214 4.041 ( -2.041 0.000 -2.039) 2.885 4.253 ( 1.939 0.000 3.023) 3.592 4.347 ( -0.884 0.000 4.181) 4.274 4.390 ( -0.559 0.000 0.415) 0.696 4.469 ( -2.779 0.000 -1.412) 3.117 4.542 ( -1.063 0.000 3.574) 3.729 4.641 ( -0.838 0.000 -0.462) 0.957 4.674 ( -4.792 0.000 -1.821) 5.126 4.810 ( 1.792 0.000 -4.723) 5.052 4.883 ( 0.317 0.000 4.658) 4.669 4.906 ( -0.245 0.000 5.764) 5.770 4.946 ( 2.960 0.000 1.271) 3.222 5.006 ( 3.163 0.000 1.530) 3.514 5.228 ( -9.502 0.000 -0.899) 9.544 5.292 ( 3.173 0.000 -0.939) 3.309 5.389 ( -1.430 0.000 2.121) 2.558 5.479 ( 3.742 0.000 -0.652) 3.798 5.590 ( 6.500 0.000 3.677) 7.468 5.633 ( -1.359 0.000 -3.537) 3.789 5.875 ( 4.495 0.000 7.710) 8.924 5.882 ( 1.475 0.000 2.986) 3.330 6.056 ( 5.541 0.000 -1.695) 5.794 6.328 ( -5.248 0.000 -6.844) 8.624 6.444 ( 0.860 0.000 2.006) 2.183 6.615 ( 3.172 0.000 -0.726) 3.254 6.714 ( 0.635 0.000 -1.838) 1.944 6.894 ( 1.081 0.000 -1.453) 1.811 6.896 ( -3.063 0.000 1.362) 3.352 6.979 ( -0.086 0.000 -0.078) 0.116 8.432 ( 0.167 0.000 -0.462) 0.491 8.535 ( 0.834 0.000 3.598) 3.694 8.640 ( 0.988 0.000 4.832) 4.932 8.743 ( 2.503 0.000 -2.994) 3.903 9.222 ( 1.402 0.000 -3.497) 3.767 9.284 ( 1.092 0.000 1.083) 1.538 9.347 ( -4.076 0.000 -5.866) 7.143 9.495 ( -3.875 0.000 5.602) 6.812 9.677 ( -4.156 0.000 -5.886) 7.205 9.697 ( -1.799 0.000 1.806) 2.550 9.749 ( 3.912 0.000 1.058) 4.053 10.034 ( 4.170 0.000 0.425) 4.192 10.492 ( -1.782 0.000 -1.431) 2.285 10.506 ( -2.906 0.000 -0.696) 2.988 10.621 ( -4.480 0.000 5.544) 7.128 10.944 ( -8.349 0.000 -1.619) 8.505 10.979 ( 3.935 0.000 1.421) 4.184 11.174 ( 1.386 0.000 -0.842) 1.621 11.249 ( 3.163 0.000 2.036) 3.761 11.329 ( 2.558 0.000 3.799) 4.580 11.963 ( -1.239 0.000 -1.256) 1.764 12.046 ( 0.936 0.000 -0.615) 1.120 12.152 ( -0.615 0.000 1.949) 2.044 12.170 ( 0.048 0.000 0.821) 0.823 20.265 ( -0.660 0.000 1.579) 1.711 20.303 ( 0.275 0.000 1.492) 1.517 20.643 ( 1.570 0.000 -6.750) 6.930 20.684 ( 0.508 0.000 -6.417) 6.437 21.472 ( -1.707 0.000 5.657) 5.909 21.525 ( -2.401 0.000 3.208) 4.007 21.867 ( 0.514 0.000 -2.017) 2.081 22.087 ( 1.844 0.000 1.980) 2.705 22.257 ( -0.263 0.000 -0.025) 0.264 22.307 ( 2.431 0.000 3.756) 4.474 22.332 ( -1.621 0.000 -3.319) 3.693 22.576 ( 0.254 0.000 0.869) 0.905 22.660 ( -1.647 0.000 -0.747) 1.808 22.786 ( 2.367 0.000 -3.914) 4.574 22.856 ( -0.893 0.000 -3.649) 3.757 22.949 ( -0.640 0.000 1.136) 1.304 23.101 ( 0.515 0.000 4.504) 4.533 23.316 ( -3.712 0.000 -4.936) 6.176 23.453 ( 0.483 0.000 -7.851) 7.866 23.730 ( 0.775 0.000 0.709) 1.051 23.758 ( 4.125 0.000 0.566) 4.164 24.001 ( 1.804 0.000 -6.441) 6.689 24.111 ( -3.193 0.000 -0.790) 3.289 24.167 ( 4.024 0.000 0.440) 4.048 ======================= Grid point 51 (22/96) ======================= q-point: (-0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.949 ( -17.639 0.000 5.319) 18.424 1.060 ( -17.840 0.000 -5.955) 18.807 1.231 ( 9.388 0.000 -2.408) 9.692 1.409 ( -10.235 0.000 0.912) 10.276 1.620 ( -13.178 0.000 -12.950) 18.476 1.625 ( 1.302 0.000 10.924) 11.001 1.750 ( -4.324 0.000 -7.941) 9.042 1.779 ( 1.785 0.000 -12.549) 12.675 1.991 ( -3.846 0.000 -2.479) 4.576 2.009 ( -1.979 0.000 -5.928) 6.250 2.185 ( 2.207 0.000 2.412) 3.269 2.268 ( 1.807 0.000 -3.636) 4.060 2.288 ( -4.720 0.000 4.689) 6.653 2.313 ( 2.115 0.000 -0.720) 2.234 2.315 ( -7.336 0.000 -1.252) 7.442 2.605 ( 4.140 0.000 -4.631) 6.212 2.745 ( -4.183 0.000 10.528) 11.329 2.776 ( -2.065 0.000 -4.557) 5.003 2.822 ( 1.623 0.000 -6.127) 6.338 2.924 ( 3.192 0.000 1.165) 3.398 3.017 ( 1.220 0.000 4.887) 5.037 3.081 ( 1.044 0.000 -3.486) 3.639 3.135 ( -1.247 0.000 -6.290) 6.412 3.154 ( 6.610 0.000 -4.064) 7.759 3.216 ( -4.442 0.000 -3.615) 5.727 3.247 ( 8.416 0.000 1.072) 8.484 3.317 ( 1.304 0.000 -0.757) 1.508 3.624 ( 6.038 0.000 1.256) 6.167 3.650 ( -0.097 0.000 -3.388) 3.390 3.762 ( 6.698 0.000 2.841) 7.276 3.941 ( 2.925 0.000 -4.715) 5.549 3.993 ( -1.194 0.000 -1.140) 1.651 4.271 ( -1.334 0.000 0.483) 1.418 4.358 ( -4.080 0.000 1.761) 4.443 4.420 ( -1.929 0.000 -0.376) 1.965 4.423 ( 1.678 0.000 2.596) 3.091 4.546 ( -4.532 0.000 3.822) 5.929 4.567 ( -6.627 0.000 -1.341) 6.761 4.638 ( 0.971 0.000 1.077) 1.450 4.752 ( -0.945 0.000 -5.471) 5.552 4.914 ( -1.859 0.000 4.983) 5.318 4.976 ( -0.393 0.000 1.945) 1.985 5.022 ( 4.919 0.000 6.504) 8.155 5.101 ( -6.361 0.000 2.635) 6.885 5.113 ( 5.796 0.000 1.216) 5.922 5.317 ( 2.654 0.000 -5.389) 6.007 5.381 ( -1.375 0.000 1.120) 1.773 5.506 ( 1.987 0.000 -1.132) 2.287 5.555 ( -1.615 0.000 -4.555) 4.832 5.756 ( 7.741 0.000 3.600) 8.537 5.961 ( 3.030 0.000 4.759) 5.641 6.009 ( 3.673 0.000 4.959) 6.171 6.163 ( 8.262 0.000 -0.321) 8.269 6.220 ( -1.248 0.000 -2.190) 2.521 6.465 ( 0.636 0.000 -1.538) 1.665 6.628 ( 2.363 0.000 -5.370) 5.867 6.688 ( -1.515 0.000 -1.292) 1.992 6.854 ( -2.228 0.000 -1.593) 2.739 6.872 ( -1.014 0.000 -1.739) 2.013 6.973 ( -0.590 0.000 -0.086) 0.596 8.434 ( 0.626 0.000 -0.231) 0.668 8.596 ( 0.926 0.000 4.426) 4.522 8.711 ( 0.548 0.000 4.769) 4.800 8.755 ( 3.578 0.000 -3.096) 4.732 9.206 ( -4.196 0.000 -7.049) 8.203 9.211 ( 2.007 0.000 -2.441) 3.160 9.313 ( -0.425 0.000 2.705) 2.738 9.497 ( -3.380 0.000 4.606) 5.713 9.527 ( -5.697 0.000 -6.245) 8.453 9.688 ( -1.303 0.000 1.320) 1.855 9.833 ( 4.399 0.000 1.646) 4.697 10.086 ( 2.974 0.000 -0.940) 3.119 10.414 ( -7.519 0.000 -1.046) 7.591 10.453 ( -1.844 0.000 -0.426) 1.892 10.629 ( -6.985 0.000 14.199) 15.825 10.746 ( -12.207 0.000 -4.094) 12.876 11.073 ( 5.516 0.000 0.530) 5.542 11.186 ( 1.587 0.000 -1.175) 1.975 11.304 ( 0.926 0.000 1.440) 1.712 11.422 ( 3.279 0.000 4.103) 5.252 11.925 ( -1.279 0.000 -1.858) 2.256 12.056 ( 0.868 0.000 -0.157) 0.882 12.175 ( -0.775 0.000 4.308) 4.377 12.180 ( 0.271 0.000 0.615) 0.672 20.262 ( -1.855 0.000 1.691) 2.510 20.310 ( -1.234 0.000 0.896) 1.525 20.590 ( 4.597 0.000 -11.881) 12.739 20.649 ( 4.016 0.000 -5.304) 6.652 21.506 ( -1.757 0.000 3.491) 3.908 21.540 ( -2.769 0.000 8.227) 8.681 21.869 ( 2.234 0.000 -1.029) 2.460 22.147 ( 3.085 0.000 1.351) 3.367 22.242 ( -1.389 0.000 0.205) 1.404 22.251 ( -3.559 0.000 -2.648) 4.436 22.412 ( 3.965 0.000 5.314) 6.630 22.558 ( -2.710 0.000 -0.831) 2.834 22.638 ( -3.067 0.000 2.083) 3.708 22.769 ( -0.530 0.000 -8.235) 8.252 22.782 ( 2.553 0.000 -3.735) 4.524 22.942 ( -0.582 0.000 -0.634) 0.861 23.166 ( -0.129 0.000 5.715) 5.716 23.213 ( -2.206 0.000 -4.248) 4.787 23.365 ( -0.744 0.000 -6.898) 6.938 23.755 ( 1.131 0.000 0.865) 1.424 23.838 ( 4.971 0.000 1.159) 5.104 23.943 ( 3.490 0.000 -11.798) 12.303 24.045 ( -2.932 0.000 -2.332) 3.747 24.250 ( 5.623 0.000 0.552) 5.650 ======================= Grid point 52 (23/96) ======================= q-point: (-0.22 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.637 ( -20.167 0.000 -8.253) 21.791 0.699 ( -21.049 0.000 -4.355) 21.495 0.960 ( -30.592 0.000 -7.441) 31.483 1.295 ( 4.281 0.000 -3.784) 5.714 1.489 ( -3.541 0.000 -2.763) 4.492 1.632 ( -0.471 0.000 -2.120) 2.172 1.701 ( 6.308 0.000 -7.220) 9.588 1.750 ( 0.135 0.000 5.718) 5.720 1.923 ( -1.441 0.000 -0.551) 1.542 1.972 ( 0.321 0.000 -1.020) 1.070 2.146 ( -8.224 0.000 -3.112) 8.793 2.226 ( -2.791 0.000 -1.586) 3.210 2.245 ( 1.827 0.000 1.714) 2.505 2.346 ( -1.109 0.000 3.171) 3.359 2.356 ( 3.350 0.000 6.405) 7.228 2.560 ( -1.230 0.000 -6.986) 7.094 2.734 ( -0.105 0.000 -0.681) 0.689 2.761 ( -2.527 0.000 0.560) 2.588 2.810 ( -1.116 0.000 4.791) 4.919 2.951 ( 1.561 0.000 -2.602) 3.034 3.020 ( -1.180 0.000 -7.056) 7.154 3.035 ( -3.216 0.000 0.859) 3.328 3.106 ( -2.495 0.000 -1.810) 3.082 3.179 ( 6.853 0.000 5.051) 8.513 3.268 ( 10.039 0.000 -3.441) 10.613 3.350 ( 0.707 0.000 4.842) 4.893 3.414 ( 9.648 0.000 2.747) 10.032 3.591 ( 1.970 0.000 -7.943) 8.184 3.751 ( 7.093 0.000 2.315) 7.461 3.855 ( -1.163 0.000 2.140) 2.436 3.972 ( 7.171 0.000 -2.274) 7.523 3.995 ( 2.187 0.000 0.452) 2.234 4.255 ( -1.912 0.000 2.009) 2.774 4.272 ( -4.530 0.000 -3.939) 6.003 4.364 ( -6.025 0.000 0.688) 6.064 4.458 ( -5.062 0.000 -0.114) 5.063 4.468 ( 0.506 0.000 0.815) 0.959 4.517 ( -4.904 0.000 3.943) 6.292 4.610 ( -4.805 0.000 -1.883) 5.161 4.736 ( 3.080 0.000 1.885) 3.611 4.950 ( -1.582 0.000 5.612) 5.831 4.994 ( 1.350 0.000 -0.363) 1.398 5.080 ( -1.040 0.000 3.677) 3.821 5.150 ( -2.506 0.000 -2.060) 3.244 5.219 ( 7.231 0.000 10.210) 12.511 5.222 ( -2.530 0.000 -6.502) 6.977 5.387 ( 2.523 0.000 -1.527) 2.949 5.514 ( 0.793 0.000 -1.126) 1.377 5.536 ( 2.816 0.000 -1.010) 2.992 5.880 ( 6.770 0.000 -3.665) 7.698 6.075 ( 5.302 0.000 3.602) 6.410 6.099 ( 4.207 0.000 -0.284) 4.217 6.233 ( 2.383 0.000 1.487) 2.809 6.263 ( 4.742 0.000 -0.428) 4.762 6.413 ( -3.788 0.000 -2.474) 4.524 6.564 ( -0.449 0.000 -7.174) 7.188 6.652 ( -0.833 0.000 -1.990) 2.157 6.775 ( -2.751 0.000 -6.535) 7.090 6.841 ( -0.920 0.000 -1.004) 1.362 6.956 ( -1.107 0.000 -0.518) 1.222 8.445 ( 0.752 0.000 0.321) 0.818 8.649 ( 0.945 0.000 1.625) 1.880 8.750 ( -0.490 0.000 1.726) 1.794 8.783 ( 3.256 0.000 -1.219) 3.477 9.073 ( -2.557 0.000 -6.449) 6.937 9.233 ( 2.399 0.000 0.017) 2.399 9.328 ( -2.164 0.000 3.429) 4.055 9.378 ( -5.298 0.000 -4.455) 6.922 9.493 ( -2.834 0.000 2.785) 3.973 9.701 ( 0.919 0.000 1.801) 2.022 9.910 ( 3.538 0.000 0.809) 3.630 10.105 ( 2.016 0.000 -2.452) 3.175 10.277 ( -8.659 0.000 -0.165) 8.661 10.407 ( -5.230 0.000 -1.687) 5.495 10.520 ( -8.782 0.000 -2.856) 9.235 10.768 ( -2.530 0.000 24.772) 24.901 11.144 ( 3.437 0.000 -0.094) 3.438 11.195 ( 1.410 0.000 -1.149) 1.819 11.312 ( -0.815 0.000 0.272) 0.859 11.497 ( 2.664 0.000 -1.086) 2.877 11.889 ( -1.082 0.000 -0.749) 1.316 12.066 ( 0.386 0.000 0.178) 0.425 12.191 ( 0.581 0.000 -0.008) 0.581 12.241 ( 0.164 0.000 9.174) 9.175 20.252 ( -1.464 0.000 0.993) 1.769 20.289 ( -1.694 0.000 -0.361) 1.732 20.489 ( 2.945 0.000 -17.023) 17.276 20.684 ( 5.344 0.000 -1.934) 5.683 21.502 ( -2.646 0.000 2.394) 3.568 21.639 ( -1.416 0.000 16.036) 16.099 21.912 ( 4.127 0.000 -0.345) 4.141 22.154 ( 0.017 0.000 -4.696) 4.696 22.224 ( -1.521 0.000 0.624) 1.645 22.234 ( 0.913 0.000 3.767) 3.876 22.474 ( -6.611 0.000 -2.399) 7.033 22.530 ( 3.251 0.000 4.600) 5.633 22.555 ( -4.454 0.000 -3.190) 5.478 22.734 ( 2.842 0.000 -1.516) 3.221 22.771 ( 1.771 0.000 -4.663) 4.988 22.917 ( 0.275 0.000 -3.097) 3.109 23.145 ( -1.624 0.000 -2.268) 2.789 23.223 ( -0.750 0.000 4.771) 4.830 23.284 ( -1.502 0.000 -3.807) 4.093 23.781 ( 0.794 0.000 0.930) 1.223 23.789 ( 2.492 0.000 -26.168) 26.286 23.935 ( 4.894 0.000 0.847) 4.967 23.980 ( -2.689 0.000 -0.425) 2.722 24.339 ( 5.037 0.000 0.371) 5.051 ======================= Grid point 53 (24/96) ======================= q-point: (-0.11 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.193 ( -15.109 0.000 -3.764) 15.571 0.364 ( -20.127 0.000 6.200) 21.060 0.521 ( -27.719 0.000 11.903) 30.166 1.353 ( 2.893 0.000 6.548) 7.158 1.433 ( -1.544 0.000 2.977) 3.354 1.652 ( -0.872 0.000 3.827) 3.925 1.734 ( -2.264 0.000 -2.095) 3.085 1.761 ( 6.034 0.000 -1.165) 6.145 1.945 ( 1.463 0.000 -0.413) 1.521 1.952 ( -2.857 0.000 0.418) 2.888 2.050 ( -1.877 0.000 3.371) 3.858 2.151 ( -1.257 0.000 -5.075) 5.228 2.266 ( -0.015 0.000 -1.101) 1.101 2.354 ( -2.929 0.000 3.000) 4.193 2.420 ( -2.623 0.000 -3.442) 4.328 2.559 ( 9.101 0.000 6.565) 11.222 2.710 ( -0.807 0.000 -2.309) 2.446 2.737 ( -2.356 0.000 0.745) 2.471 2.835 ( -0.334 0.000 3.791) 3.806 2.932 ( 0.356 0.000 -2.869) 2.891 2.968 ( 2.198 0.000 -2.114) 3.049 2.999 ( -2.965 0.000 0.898) 3.098 3.120 ( 0.255 0.000 6.442) 6.447 3.277 ( 0.991 0.000 -1.846) 2.095 3.337 ( 2.589 0.000 0.485) 2.634 3.458 ( 4.336 0.000 4.181) 6.023 3.573 ( 6.876 0.000 0.878) 6.932 3.608 ( 7.513 0.000 2.031) 7.783 3.794 ( -3.701 0.000 -4.236) 5.625 3.874 ( 4.816 0.000 2.001) 5.215 4.065 ( 5.148 0.000 0.796) 5.209 4.066 ( 3.278 0.000 3.671) 4.921 4.150 ( -2.986 0.000 -5.846) 6.565 4.238 ( -4.191 0.000 2.201) 4.734 4.264 ( -6.733 0.000 -0.745) 6.774 4.439 ( -2.742 0.000 0.417) 2.773 4.443 ( -5.591 0.000 -0.341) 5.602 4.451 ( 1.938 0.000 -0.739) 2.074 4.578 ( -2.463 0.000 3.388) 4.189 4.813 ( 2.852 0.000 0.655) 2.927 4.962 ( -1.926 0.000 -3.029) 3.589 4.994 ( 0.084 0.000 -0.369) 0.379 5.065 ( 0.279 0.000 -0.554) 0.621 5.104 ( -1.352 0.000 2.704) 3.024 5.148 ( -3.339 0.000 -1.455) 3.642 5.413 ( 3.137 0.000 -1.825) 3.629 5.446 ( 5.377 0.000 -2.622) 5.982 5.550 ( 1.625 0.000 -2.854) 3.284 5.576 ( 2.908 0.000 -0.932) 3.054 5.750 ( -2.325 0.000 -6.238) 6.657 6.180 ( 6.905 0.000 6.003) 9.149 6.183 ( 3.926 0.000 1.446) 4.184 6.252 ( -0.174 0.000 -5.985) 5.988 6.280 ( 2.922 0.000 -3.193) 4.328 6.385 ( -2.728 0.000 6.075) 6.660 6.503 ( -0.516 0.000 0.822) 0.971 6.577 ( -4.275 0.000 1.006) 4.391 6.673 ( -1.835 0.000 -1.027) 2.103 6.819 ( 0.339 0.000 -2.079) 2.107 6.931 ( -1.361 0.000 -0.236) 1.381 8.463 ( 0.458 0.000 1.072) 1.165 8.650 ( 0.354 0.000 -3.246) 3.265 8.739 ( -0.708 0.000 -1.735) 1.874 8.807 ( 0.794 0.000 -1.836) 2.001 9.010 ( 0.630 0.000 0.094) 0.637 9.271 ( 0.723 0.000 1.649) 1.800 9.281 ( -2.468 0.000 -1.688) 2.990 9.326 ( -2.676 0.000 2.914) 3.957 9.474 ( -2.090 0.000 0.992) 2.314 9.747 ( 1.352 0.000 1.585) 2.084 9.952 ( 1.612 0.000 -0.594) 1.718 10.069 ( -1.663 0.000 -7.226) 7.415 10.173 ( -5.852 0.000 2.674) 6.434 10.245 ( -6.803 0.000 -2.912) 7.400 10.456 ( -1.412 0.000 0.311) 1.446 11.121 ( 11.501 0.000 18.133) 21.473 11.177 ( 0.964 0.000 -1.851) 2.087 11.205 ( 1.261 0.000 -0.693) 1.439 11.298 ( -0.832 0.000 -0.041) 0.833 11.318 ( -16.658 0.000 -29.478) 33.860 11.879 ( -0.429 0.000 0.772) 0.883 12.073 ( 0.003 0.000 0.535) 0.535 12.196 ( 0.557 0.000 -0.743) 0.929 12.351 ( -0.700 0.000 -3.967) 4.029 20.238 ( -0.970 0.000 -0.384) 1.043 20.258 ( -0.925 0.000 -1.181) 1.500 20.413 ( 7.775 0.000 14.322) 16.297 20.751 ( 3.726 0.000 0.953) 3.846 21.487 ( -2.641 0.000 2.404) 3.571 21.970 ( 3.822 0.000 -1.283) 4.031 21.989 ( 17.928 0.000 30.933) 35.752 22.115 ( 1.242 0.000 -3.647) 3.853 22.211 ( -1.442 0.000 0.240) 1.462 22.276 ( 0.468 0.000 0.111) 0.481 22.331 ( -5.167 0.000 -3.252) 6.105 22.501 ( -0.634 0.000 0.720) 0.960 22.575 ( -2.230 0.000 -5.975) 6.377 22.615 ( -9.554 0.000 -14.795) 17.612 22.781 ( 1.639 0.000 3.299) 3.683 22.958 ( 7.912 0.000 8.485) 11.601 23.104 ( -0.719 0.000 -1.920) 2.050 23.244 ( -1.202 0.000 -0.150) 1.211 23.253 ( -1.897 0.000 4.061) 4.482 23.362 ( -12.998 0.000 -22.534) 26.014 23.798 ( 0.032 0.000 0.985) 0.986 23.921 ( 0.157 0.000 -3.770) 3.773 24.037 ( 2.588 0.000 4.325) 5.040 24.404 ( 2.826 0.000 0.087) 2.827 ======================= Grid point 54 (25/96) ======================= q-point: ( 0.00 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.572 ( -4.187 15.858 10.464) 19.455 0.632 ( 2.118 17.151 10.037) 19.985 0.884 ( 8.908 20.611 17.384) 28.396 1.266 ( 0.184 -10.223 9.368) 13.867 1.444 ( 1.848 -15.689 2.438) 15.984 1.617 ( -1.177 1.991 -5.078) 5.579 1.734 ( -5.714 -3.384 0.473) 6.657 1.788 ( 0.850 3.904 4.280) 5.855 1.854 ( 3.063 -8.855 5.824) 11.032 2.050 ( 3.981 -1.164 4.143) 5.862 2.111 ( -0.206 -0.577 -1.664) 1.773 2.180 ( -1.828 1.824 -1.329) 2.904 2.206 ( 1.286 -1.396 2.404) 3.063 2.309 ( -1.641 6.098 0.900) 6.379 2.385 ( 1.882 -7.365 -1.176) 7.693 2.520 ( 1.210 5.071 -2.575) 5.815 2.575 ( -3.069 -4.437 1.994) 5.752 2.723 ( 0.313 -4.981 1.345) 5.169 2.873 ( -1.178 -1.498 5.343) 5.673 2.892 ( 2.387 1.770 5.619) 6.356 2.970 ( 1.015 -3.321 -2.904) 4.527 3.072 ( 2.976 0.993 7.253) 7.903 3.139 ( -1.079 6.482 -2.941) 7.199 3.378 ( 1.058 0.450 3.226) 3.425 3.413 ( -0.981 1.383 -0.150) 1.703 3.478 ( -2.335 3.320 1.084) 4.201 3.618 ( -1.082 -3.372 1.147) 3.723 3.679 ( 0.700 0.187 0.710) 1.014 3.837 ( -0.300 -6.202 -6.062) 8.678 4.007 ( -1.054 -6.904 -1.447) 7.132 4.029 ( -2.313 -0.416 4.967) 5.495 4.085 ( 0.462 -0.284 1.272) 1.383 4.125 ( 3.597 12.038 -6.297) 14.053 4.253 ( 0.769 5.006 1.688) 5.339 4.293 ( -3.114 2.610 -4.716) 6.226 4.397 ( 1.572 -1.099 -0.555) 1.997 4.441 ( -1.532 -0.708 2.667) 3.156 4.595 ( -1.546 -0.329 -4.399) 4.674 4.613 ( -1.719 8.778 -4.859) 10.179 4.676 ( 1.162 1.474 3.402) 3.885 4.892 ( -0.726 -0.660 -4.476) 4.583 4.949 ( 0.537 -2.220 -2.813) 3.624 5.072 ( -0.026 -0.704 -1.342) 1.516 5.097 ( 1.678 -0.310 -0.426) 1.758 5.179 ( 0.802 2.470 2.220) 3.417 5.256 ( -4.454 1.217 -2.687) 5.342 5.434 ( 1.179 -0.197 -0.658) 1.365 5.484 ( 2.075 -0.725 -0.875) 2.366 5.627 ( 0.307 3.134 -1.949) 3.704 5.856 ( 5.081 -6.816 -1.342) 8.607 6.132 ( -0.625 0.750 -3.366) 3.505 6.192 ( 0.859 -1.166 -3.151) 3.468 6.254 ( -3.759 3.053 -4.053) 6.315 6.349 ( 1.417 -1.796 6.264) 6.669 6.472 ( -1.620 5.548 3.685) 6.854 6.560 ( 1.658 -0.145 3.758) 4.110 6.599 ( 1.333 -4.438 -1.223) 4.792 6.818 ( -1.973 0.052 -0.660) 2.081 6.852 ( 5.471 -2.533 4.176) 7.334 6.955 ( 6.397 -3.644 -2.535) 7.787 8.602 ( -0.648 2.202 -5.510) 5.969 8.643 ( -0.088 1.926 -4.154) 4.580 8.746 ( 1.630 5.210 -4.787) 7.261 8.823 ( 2.633 1.245 -0.361) 2.935 9.091 ( 4.850 -1.137 4.907) 6.993 9.209 ( 2.557 -4.533 1.406) 5.391 9.304 ( -1.793 1.461 2.011) 3.065 9.336 ( -2.275 0.766 2.150) 3.223 9.525 ( -0.093 4.952 -2.642) 5.614 9.706 ( -2.120 -2.772 -1.864) 3.956 9.844 ( -7.582 0.753 -0.993) 7.684 9.921 ( -0.123 -1.985 -1.675) 2.600 10.138 ( -2.921 0.630 2.332) 3.791 10.246 ( -3.419 -2.042 3.218) 5.120 10.305 ( -1.961 0.150 3.019) 3.603 10.433 ( 0.188 -1.956 1.145) 2.275 11.198 ( 0.960 0.214 0.152) 0.995 11.215 ( 1.188 -0.195 -0.087) 1.207 11.267 ( 1.269 -2.224 2.205) 3.379 11.281 ( 0.720 -2.075 1.740) 2.802 11.917 ( 0.545 1.201 2.685) 2.991 12.026 ( -0.001 -3.836 0.693) 3.898 12.287 ( -0.285 6.056 -3.722) 7.114 12.372 ( -4.510 7.189 -12.341) 14.978 20.214 ( -0.356 0.020 -1.276) 1.325 20.238 ( 0.436 -0.385 -1.207) 1.340 20.707 ( 6.496 -7.815 12.885) 16.410 20.774 ( 1.910 -4.588 4.925) 6.996 21.476 ( -2.475 -0.351 2.683) 3.667 21.509 ( -8.537 -4.486 6.766) 11.781 22.027 ( -2.574 1.632 -5.407) 6.207 22.102 ( 0.383 -0.442 -5.278) 5.311 22.185 ( 0.304 -0.799 1.810) 2.002 22.259 ( -0.145 3.036 -1.397) 3.345 22.276 ( 4.136 -1.771 0.201) 4.503 22.447 ( 0.167 -4.303 -1.987) 4.743 22.648 ( 0.437 5.428 1.707) 5.707 22.805 ( 4.355 0.765 2.181) 4.930 22.853 ( 0.811 -0.700 6.795) 6.879 22.923 ( -0.657 -2.588 4.686) 5.393 23.179 ( -3.394 1.786 -4.338) 5.790 23.220 ( -1.193 -2.198 2.137) 3.290 23.316 ( 2.398 4.657 -0.683) 5.282 23.536 ( 4.180 -5.587 -0.456) 6.992 23.926 ( 0.977 2.166 -1.265) 2.692 24.019 ( 2.317 -0.722 1.563) 2.887 24.311 ( 8.355 7.318 -7.396) 13.344 24.417 ( 0.131 -0.482 -1.059) 1.172 ======================= Grid point 55 (26/96) ======================= q-point: ( 0.11 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( 2.341 12.664 9.300) 15.885 0.807 ( 7.252 7.497 7.834) 13.045 1.249 ( 9.161 6.570 13.374) 17.492 1.342 ( 0.217 -8.083 -1.125) 8.164 1.382 ( -2.529 -5.480 -5.678) 8.286 1.579 ( 0.949 -0.572 -2.857) 3.065 1.651 ( -1.104 -11.762 2.889) 12.162 1.906 ( 3.048 6.218 8.176) 10.715 2.021 ( 5.214 -5.405 6.591) 9.992 2.070 ( 1.456 6.424 -6.808) 9.473 2.110 ( -0.319 -1.244 -1.152) 1.725 2.168 ( 0.241 -3.577 4.933) 6.098 2.291 ( -0.268 -1.694 8.445) 8.618 2.322 ( 0.295 6.328 3.160) 7.079 2.429 ( 3.760 -5.568 0.411) 6.731 2.523 ( -0.731 8.635 5.206) 10.110 2.573 ( 2.947 -4.112 -1.930) 5.415 2.745 ( 0.194 -3.900 2.595) 4.688 2.885 ( -0.924 -2.102 1.571) 2.782 2.975 ( -1.025 0.247 4.487) 4.609 3.012 ( 4.093 6.318 1.516) 7.680 3.097 ( -2.184 -1.476 1.319) 2.948 3.188 ( 0.610 1.241 5.275) 5.453 3.370 ( -3.862 -0.131 1.141) 4.029 3.424 ( -0.329 3.927 3.167) 5.056 3.449 ( -3.692 -0.379 3.833) 5.335 3.562 ( -6.552 -1.319 0.257) 6.688 3.672 ( -1.718 -0.699 1.347) 2.292 3.762 ( 0.149 -6.723 -7.326) 9.944 3.903 ( -4.028 2.198 -4.273) 6.270 4.017 ( -4.548 2.718 4.188) 6.754 4.103 ( -1.381 -2.794 1.829) 3.613 4.194 ( 6.908 6.655 -1.449) 9.701 4.240 ( 0.458 0.735 -2.016) 2.194 4.307 ( 3.163 4.268 1.530) 5.528 4.405 ( -2.264 -4.638 -0.976) 5.252 4.442 ( 2.282 -0.832 0.027) 2.429 4.516 ( -0.834 -0.144 0.217) 0.874 4.628 ( 3.167 3.044 -1.068) 4.521 4.737 ( 1.698 3.225 3.184) 4.840 4.815 ( -0.399 1.043 -5.908) 6.013 4.911 ( -0.439 -2.043 -3.389) 3.982 5.056 ( -3.650 0.632 0.306) 3.717 5.080 ( 1.036 1.015 -3.037) 3.366 5.124 ( -4.705 1.721 -2.904) 5.791 5.279 ( 3.893 -3.080 2.650) 5.627 5.430 ( -0.148 0.561 -1.259) 1.387 5.495 ( 0.641 -1.874 -0.768) 2.124 5.633 ( 0.500 3.191 0.719) 3.309 5.832 ( -1.856 -3.388 -4.946) 6.276 6.048 ( -4.122 1.934 -4.310) 6.270 6.108 ( -6.083 0.470 -5.138) 7.976 6.206 ( 1.566 2.395 1.614) 3.285 6.412 ( -2.932 -1.058 2.632) 4.079 6.471 ( -0.682 -0.404 0.361) 0.871 6.629 ( 1.066 -5.211 0.846) 5.386 6.645 ( 5.856 -0.624 1.811) 6.161 6.781 ( -2.840 -0.245 0.628) 2.919 6.922 ( 1.355 -0.686 2.154) 2.635 6.973 ( 1.358 -1.478 -4.873) 5.270 8.539 ( -0.533 2.127 -3.688) 4.290 8.596 ( -1.531 1.631 -1.155) 2.518 8.672 ( -2.258 5.785 -4.814) 7.857 8.851 ( 0.723 -0.197 -0.902) 1.172 9.196 ( 2.807 -0.723 3.484) 4.532 9.275 ( -0.210 -0.343 0.377) 0.551 9.311 ( -2.123 1.011 0.838) 2.496 9.348 ( 5.487 -2.936 4.637) 7.760 9.496 ( -0.298 3.124 1.021) 3.300 9.655 ( -1.419 -2.994 -0.778) 3.403 9.828 ( 3.590 1.468 -4.107) 5.649 9.939 ( 6.005 -2.307 -4.150) 7.656 10.138 ( 0.626 1.752 1.407) 2.333 10.263 ( 1.317 -2.859 3.324) 4.578 10.410 ( 6.456 2.045 2.466) 7.207 10.471 ( 5.117 0.098 0.643) 5.159 11.196 ( -1.219 0.800 0.107) 1.462 11.225 ( 0.236 0.387 -0.073) 0.459 11.279 ( 0.005 -1.656 0.324) 1.687 11.320 ( 0.514 -4.037 0.045) 4.070 11.967 ( 0.653 0.243 3.963) 4.023 12.030 ( -0.497 -2.330 0.853) 2.530 12.212 ( -2.237 6.553 -5.825) 9.048 12.232 ( -1.113 3.408 -3.835) 5.250 20.196 ( 0.522 0.683 -1.753) 1.952 20.233 ( 1.360 -0.110 -1.952) 2.382 20.802 ( -1.589 -2.480 5.183) 5.962 20.884 ( -1.264 -7.854 6.295) 10.144 21.457 ( -4.132 0.174 3.857) 5.655 21.493 ( -1.888 -0.873 3.520) 4.088 21.938 ( -1.636 2.079 -4.220) 4.981 22.058 ( 1.023 -2.387 -4.533) 5.224 22.212 ( 1.528 0.844 1.213) 2.126 22.248 ( 0.383 1.223 -0.495) 1.374 22.349 ( 4.349 -2.374 -0.920) 5.039 22.409 ( 0.105 -3.194 -3.595) 4.810 22.687 ( 0.077 6.421 3.594) 7.359 22.881 ( 0.956 0.366 3.169) 3.331 22.928 ( -1.503 -0.391 5.620) 5.830 22.942 ( -1.157 -1.090 1.908) 2.483 23.104 ( -0.349 2.131 -2.172) 3.063 23.219 ( -1.202 -2.316 2.257) 3.450 23.382 ( 4.415 2.600 1.371) 5.304 23.578 ( 3.586 -7.852 -2.552) 9.001 23.919 ( -0.418 3.887 -0.820) 3.994 24.060 ( -0.283 -2.262 2.882) 3.675 24.290 ( -0.955 3.483 -4.335) 5.643 24.375 ( -3.197 -0.644 -2.020) 3.836 ======================= Grid point 56 (27/96) ======================= q-point: ( 0.22 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( 2.302 7.663 4.289) 9.078 0.993 ( 4.893 -4.078 5.323) 8.301 1.173 ( -1.674 -8.938 -10.617) 13.979 1.381 ( -2.847 -7.999 8.415) 11.954 1.428 ( 1.364 0.170 2.134) 2.539 1.673 ( 11.711 8.659 -0.351) 14.569 1.729 ( 6.054 -8.649 2.558) 10.863 1.964 ( 0.793 3.414 -5.898) 6.860 2.020 ( -0.666 5.879 0.407) 5.930 2.084 ( 1.654 0.079 -5.501) 5.745 2.160 ( 7.797 -3.995 1.240) 8.849 2.267 ( 2.493 0.313 8.111) 8.492 2.350 ( -1.269 3.741 5.427) 6.713 2.366 ( 1.802 3.588 0.690) 4.074 2.502 ( 0.504 1.092 5.934) 6.055 2.583 ( -0.719 7.583 1.421) 7.748 2.644 ( 7.548 -6.927 2.598) 10.569 2.779 ( -0.958 -0.364 3.498) 3.645 2.913 ( -4.813 0.053 6.348) 7.967 2.968 ( -0.634 1.449 3.207) 3.576 3.060 ( 1.998 3.598 -2.430) 4.779 3.124 ( -1.843 -7.762 6.061) 10.019 3.159 ( -5.904 -1.278 -0.646) 6.075 3.343 ( -4.499 -0.535 0.883) 4.616 3.380 ( -4.080 1.638 -3.137) 5.401 3.445 ( -1.141 3.217 1.982) 3.946 3.501 ( -4.494 -2.450 3.214) 6.044 3.688 ( 0.043 3.641 3.046) 4.747 3.701 ( -0.411 -1.425 -0.507) 1.567 3.814 ( -2.823 0.376 -1.816) 3.378 4.016 ( -1.729 -0.572 4.163) 4.544 4.072 ( -3.348 -0.514 -1.568) 3.733 4.239 ( -0.706 -1.002 -0.756) 1.441 4.258 ( 3.401 -1.221 0.564) 3.657 4.328 ( -2.952 -1.058 -0.429) 3.165 4.390 ( 4.036 2.462 0.685) 4.777 4.495 ( 4.691 0.120 0.352) 4.706 4.548 ( 2.427 -1.022 1.302) 2.938 4.654 ( 2.447 2.913 -2.390) 4.493 4.760 ( 1.338 1.907 -2.116) 3.147 4.825 ( 4.352 -0.862 0.212) 4.442 4.870 ( 0.721 -2.171 -3.320) 4.032 4.974 ( -4.524 -0.441 -0.657) 4.592 4.986 ( -5.890 -0.191 -0.377) 5.905 5.144 ( 2.625 3.088 0.670) 4.108 5.316 ( -0.318 -3.814 -0.324) 3.841 5.406 ( -0.984 1.940 -1.303) 2.535 5.495 ( 0.325 -2.229 -0.761) 2.378 5.638 ( -0.513 1.995 -0.320) 2.084 5.721 ( -4.783 0.214 -4.506) 6.575 5.928 ( -5.304 1.130 -4.426) 6.999 5.964 ( -5.491 -0.082 -2.217) 5.922 6.285 ( 3.070 1.701 2.645) 4.395 6.338 ( -4.823 3.377 -1.122) 5.994 6.459 ( -0.917 -2.601 -0.368) 2.783 6.597 ( -4.314 -6.411 -1.898) 7.957 6.737 ( 4.241 0.310 -2.450) 4.908 6.787 ( 1.106 -1.446 4.988) 5.310 6.946 ( 1.862 1.838 -3.142) 4.089 6.954 ( 0.236 0.031 1.205) 1.229 8.501 ( 0.056 2.020 -2.233) 3.012 8.571 ( -1.923 1.979 1.069) 2.959 8.588 ( -1.542 4.099 -4.324) 6.154 8.823 ( -1.943 -1.729 -1.785) 3.154 9.238 ( 0.582 0.272 -0.771) 1.004 9.271 ( -0.308 -0.337 -0.804) 0.924 9.334 ( 3.213 1.745 3.409) 4.999 9.444 ( 0.023 -1.248 3.411) 3.632 9.586 ( 6.136 -0.399 5.900) 8.521 9.650 ( 0.095 -2.339 1.313) 2.684 9.803 ( 0.173 1.977 -4.503) 4.921 9.959 ( 3.434 -3.450 -6.257) 7.928 10.211 ( 7.837 2.390 0.129) 8.195 10.349 ( 4.919 -2.700 2.608) 6.187 10.489 ( 3.875 3.230 0.559) 5.076 10.628 ( 10.853 -1.839 1.317) 11.086 11.161 ( -3.420 1.477 -0.042) 3.726 11.219 ( -0.618 0.555 -0.649) 1.054 11.273 ( -1.308 -1.854 0.057) 2.270 11.303 ( -1.056 -2.163 -1.396) 2.783 12.007 ( -0.856 0.303 2.605) 2.759 12.037 ( -0.052 -1.133 1.355) 1.767 12.151 ( -0.209 3.167 -2.316) 3.929 12.182 ( -0.529 1.222 -2.446) 2.785 20.194 ( 1.666 1.082 -1.401) 2.431 20.237 ( 1.876 -0.190 -1.804) 2.610 20.820 ( -2.974 -1.199 4.159) 5.251 20.877 ( -5.174 -3.310 2.659) 6.693 21.448 ( -2.359 1.237 3.100) 4.087 21.509 ( -1.389 -0.843 3.372) 3.743 21.885 ( -0.227 1.402 -2.630) 2.989 22.025 ( -0.011 -3.996 -2.852) 4.909 22.244 ( 1.291 1.225 -0.185) 1.789 22.270 ( 2.042 -0.468 0.469) 2.147 22.332 ( 0.018 -0.143 -3.058) 3.062 22.437 ( 4.669 -3.135 -1.318) 5.776 22.714 ( -1.251 6.040 2.461) 6.641 22.902 ( -2.156 0.775 1.819) 2.926 22.937 ( 0.343 1.398 -0.508) 1.526 22.940 ( -2.323 -0.827 2.783) 3.718 23.088 ( -1.125 0.382 -0.493) 1.286 23.262 ( 2.197 -3.618 3.570) 5.537 23.465 ( 4.300 1.784 0.959) 4.753 23.602 ( 3.832 -4.967 -2.569) 6.779 23.891 ( -1.800 5.355 -1.185) 5.772 24.076 ( -1.641 -2.971 2.226) 4.059 24.219 ( -3.266 1.373 -1.554) 3.868 24.284 ( -4.743 -0.776 -2.585) 5.458 ======================= Grid point 57 (28/96) ======================= q-point: ( 0.33 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( 0.248 2.058 4.026) 4.528 0.979 ( -2.261 -7.449 -3.510) 8.539 1.173 ( 2.472 -5.083 3.290) 6.540 1.426 ( -4.199 -8.945 8.608) 13.105 1.530 ( 6.798 3.153 5.220) 9.132 1.787 ( 5.496 4.568 -5.859) 9.241 1.850 ( 5.683 -8.485 2.258) 10.459 1.894 ( -0.158 0.454 -7.828) 7.842 2.031 ( 7.785 4.395 -2.012) 9.164 2.090 ( 4.352 2.219 -3.421) 5.964 2.275 ( 5.657 0.660 0.282) 5.702 2.359 ( -0.233 3.597 3.074) 4.738 2.400 ( 1.227 3.287 3.520) 4.970 2.406 ( 3.016 4.168 -0.230) 5.150 2.522 ( -6.114 6.918 -0.954) 9.282 2.584 ( 3.183 2.027 3.868) 5.404 2.753 ( -0.951 -1.849 1.325) 2.465 2.825 ( -0.379 -4.353 5.338) 6.899 2.893 ( -0.992 2.954 2.632) 4.079 2.964 ( -5.976 0.906 0.080) 6.045 3.016 ( -0.292 0.598 -5.485) 5.525 3.086 ( -0.915 -4.838 0.053) 4.924 3.154 ( -2.457 -6.999 1.510) 7.570 3.193 ( -8.084 -2.622 -0.283) 8.504 3.352 ( -0.260 2.563 -2.258) 3.426 3.431 ( -4.045 -0.408 0.527) 4.099 3.450 ( -0.896 0.335 -1.013) 1.394 3.651 ( -2.937 6.666 -0.935) 7.344 3.767 ( -0.093 3.095 4.028) 5.080 3.808 ( 0.935 -0.014 3.392) 3.519 3.960 ( -3.913 -1.766 -5.388) 6.889 4.053 ( -0.088 -1.230 2.028) 2.373 4.189 ( -2.508 -0.149 -1.552) 2.953 4.228 ( -2.322 -6.747 -1.028) 7.209 4.423 ( 0.594 0.365 1.883) 2.008 4.434 ( 6.063 -1.079 5.218) 8.072 4.574 ( 0.900 2.818 0.241) 2.968 4.597 ( 3.206 3.020 0.195) 4.409 4.683 ( 5.511 -0.336 -1.483) 5.717 4.770 ( 1.547 1.422 -0.671) 2.206 4.791 ( -3.204 1.745 -1.826) 4.079 4.876 ( 3.497 -0.259 -3.427) 4.903 4.931 ( -3.115 -0.891 2.077) 3.849 5.006 ( 3.908 -5.796 3.337) 7.746 5.136 ( -2.675 1.804 -0.360) 3.246 5.306 ( -0.648 -3.754 -0.443) 3.835 5.376 ( -1.422 2.913 0.149) 3.245 5.494 ( 0.512 -2.366 0.113) 2.424 5.581 ( -4.124 1.563 -3.063) 5.370 5.627 ( -1.826 -0.612 -3.004) 3.569 5.817 ( -2.902 2.656 -1.337) 4.155 5.893 ( -2.220 0.278 -0.736) 2.355 6.202 ( -5.741 3.943 -2.535) 7.412 6.378 ( 1.752 -3.113 0.397) 3.595 6.451 ( -2.531 -0.390 3.381) 4.241 6.512 ( -1.049 -5.756 -3.016) 6.582 6.762 ( 2.711 2.416 -1.577) 3.959 6.854 ( 0.872 -1.251 2.510) 2.937 6.943 ( -0.490 1.886 -0.360) 1.982 6.967 ( 1.870 0.998 -0.750) 2.248 8.491 ( 0.412 2.386 -0.284) 2.438 8.529 ( -1.364 4.756 -1.604) 5.201 8.565 ( -0.497 -0.222 0.909) 1.060 8.766 ( -1.837 -2.576 -2.375) 3.956 9.236 ( 1.659 0.144 -2.291) 2.832 9.259 ( 0.418 -0.436 -1.204) 1.347 9.419 ( 2.350 0.979 2.455) 3.537 9.472 ( -1.525 -0.075 4.021) 4.301 9.677 ( 0.376 -0.232 3.027) 3.059 9.738 ( 2.859 1.673 0.157) 3.316 9.751 ( 0.704 -0.966 0.759) 1.416 9.916 ( 1.078 -3.366 -5.916) 6.892 10.360 ( 10.275 0.874 0.204) 10.314 10.454 ( 5.032 -2.334 1.507) 5.748 10.558 ( 4.304 4.392 0.233) 6.154 10.790 ( 8.247 -4.637 0.670) 9.485 11.098 ( -4.570 2.665 0.367) 5.303 11.193 ( -1.127 0.172 -1.188) 1.647 11.240 ( -2.665 -1.291 0.130) 2.964 11.273 ( -1.084 -0.850 -0.797) 1.591 12.010 ( -1.027 0.787 0.953) 1.607 12.044 ( -0.455 -0.609 0.183) 0.782 12.142 ( 0.508 1.215 -0.031) 1.317 12.162 ( 0.071 0.236 -0.623) 0.670 20.216 ( 2.353 0.963 -0.418) 2.577 20.250 ( 1.837 -0.223 -0.821) 2.024 20.798 ( -4.553 -0.685 0.780) 4.670 20.811 ( -4.010 -0.726 -0.104) 4.076 21.452 ( -1.895 1.735 3.295) 4.178 21.523 ( -1.901 -0.604 3.449) 3.985 21.868 ( 0.894 0.097 -1.446) 1.703 21.995 ( -0.711 -4.893 -1.164) 5.080 22.250 ( 0.475 0.687 -1.219) 1.477 22.277 ( 0.327 0.105 -0.163) 0.380 22.354 ( 3.682 1.587 -0.772) 4.083 22.486 ( 3.465 -3.097 -1.081) 4.772 22.709 ( -1.134 3.937 0.326) 4.110 22.868 ( -1.543 0.658 -1.710) 2.395 22.920 ( -3.055 -0.913 1.060) 3.360 22.951 ( -0.031 1.377 1.333) 1.917 23.067 ( -0.373 1.979 -0.157) 2.020 23.333 ( 1.931 -5.610 2.028) 6.270 23.524 ( 3.198 1.981 -1.025) 3.899 23.642 ( 4.206 -1.949 -1.504) 4.874 23.841 ( -2.096 5.876 -1.873) 6.514 24.052 ( -2.326 -3.359 -1.003) 4.207 24.168 ( -2.641 -0.261 0.163) 2.659 24.191 ( -3.698 -0.303 -1.228) 3.909 ======================= Grid point 58 (29/96) ======================= q-point: (-0.56 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( 1.418 -1.385 6.227) 6.534 0.965 ( 0.385 -1.621 3.390) 3.778 1.257 ( 0.352 -4.668 8.179) 9.424 1.433 ( -6.784 -8.655 6.486) 12.767 1.666 ( -4.361 1.996 -1.435) 5.006 1.727 ( 2.955 0.357 0.353) 2.997 1.841 ( 6.391 2.760 -6.322) 9.404 2.002 ( 8.409 -4.145 1.898) 9.565 2.074 ( 0.816 -0.997 -3.776) 3.990 2.154 ( 7.069 3.372 -4.144) 8.861 2.306 ( -1.981 3.496 -3.077) 5.060 2.355 ( -2.060 5.205 0.724) 5.644 2.410 ( -1.024 6.063 -1.638) 6.364 2.425 ( -0.833 1.997 0.532) 2.229 2.465 ( 2.063 1.325 -2.550) 3.538 2.664 ( 0.100 -1.071 1.209) 1.618 2.703 ( -3.901 -3.289 0.337) 5.114 2.762 ( -6.143 -1.434 -1.811) 6.563 2.825 ( -1.548 1.959 -8.714) 9.065 2.915 ( 0.369 3.421 -3.094) 4.627 3.008 ( -1.642 -1.737 -0.753) 2.506 3.071 ( 1.226 -3.863 -0.825) 4.136 3.097 ( 0.722 -4.958 -0.062) 5.010 3.143 ( -4.727 -7.139 1.302) 8.661 3.316 ( 0.890 2.902 -2.948) 4.231 3.368 ( -1.880 1.463 -0.895) 2.545 3.457 ( 0.318 2.322 0.566) 2.411 3.613 ( -1.943 6.879 0.940) 7.209 3.728 ( -3.108 5.902 -4.555) 8.077 3.810 ( -2.946 1.130 -2.839) 4.244 3.929 ( 3.317 -2.923 2.054) 4.875 4.046 ( -1.947 -1.957 -0.510) 2.807 4.162 ( 0.637 -0.780 0.412) 1.088 4.225 ( 0.241 -6.958 2.935) 7.555 4.414 ( -1.331 0.015 -2.161) 2.537 4.529 ( -2.356 -2.759 -1.386) 3.884 4.580 ( 1.378 3.179 3.576) 4.979 4.615 ( 0.765 4.274 1.584) 4.621 4.732 ( 0.820 -1.340 -2.199) 2.703 4.773 ( 1.325 -0.734 1.114) 1.880 4.824 ( 5.847 3.377 0.343) 6.761 4.911 ( 2.267 0.617 -0.472) 2.396 4.914 ( -2.324 0.201 2.096) 3.135 5.001 ( -3.531 0.564 0.305) 3.589 5.167 ( 2.455 -6.668 0.803) 7.151 5.269 ( -2.400 -5.252 -0.368) 5.786 5.389 ( 1.273 2.644 2.064) 3.588 5.468 ( -2.334 1.055 0.078) 2.563 5.548 ( -0.042 0.297 -1.811) 1.836 5.586 ( 2.551 -3.034 0.792) 4.042 5.816 ( 0.672 3.664 2.270) 4.362 5.876 ( 0.036 1.270 0.852) 1.530 6.117 ( -1.499 5.429 -1.671) 5.875 6.396 ( 0.563 -2.780 1.299) 3.120 6.405 ( -3.342 -3.729 -2.073) 5.419 6.515 ( 1.190 -4.461 -0.050) 4.618 6.770 ( 0.494 3.574 -2.176) 4.213 6.871 ( -0.149 -0.849 0.231) 0.892 6.940 ( -0.109 2.195 0.762) 2.326 6.988 ( 1.271 0.761 -0.168) 1.490 8.493 ( -0.281 4.618 -0.449) 4.648 8.517 ( 0.528 1.948 1.464) 2.493 8.584 ( 0.343 -0.222 2.702) 2.732 8.726 ( 0.284 -2.719 -2.364) 3.614 9.236 ( 1.897 0.064 -2.792) 3.376 9.257 ( 1.017 -0.490 -0.843) 1.409 9.444 ( -0.940 0.544 -1.039) 1.503 9.482 ( -2.846 -0.456 3.748) 4.728 9.686 ( -1.594 0.345 -0.646) 1.755 9.732 ( 1.860 2.219 0.896) 3.031 9.776 ( -2.147 -1.038 -2.207) 3.249 9.922 ( 4.220 -3.146 0.591) 5.297 10.478 ( 3.161 -0.841 -0.100) 3.273 10.518 ( 1.569 -1.472 0.193) 2.160 10.632 ( 5.042 4.907 0.562) 7.058 10.879 ( 1.438 -5.355 1.671) 5.791 11.055 ( -1.953 3.154 1.085) 3.866 11.170 ( 0.050 -0.937 -0.717) 1.181 11.203 ( -1.889 0.061 0.120) 1.894 11.261 ( 0.194 -1.042 0.480) 1.164 11.999 ( -1.029 0.797 -0.265) 1.329 12.035 ( -0.087 -0.687 -0.759) 1.027 12.155 ( 0.330 0.930 1.108) 1.484 12.168 ( 0.307 0.426 0.999) 1.128 20.250 ( 1.552 0.581 0.655) 1.783 20.273 ( 1.307 -0.281 0.534) 1.439 20.715 ( -3.052 0.409 -3.301) 4.514 20.750 ( -2.098 -0.778 -3.425) 4.091 21.466 ( -1.903 1.879 4.152) 4.939 21.528 ( -2.439 -0.171 3.305) 4.111 21.870 ( 0.986 -0.518 -1.209) 1.643 21.987 ( 0.405 -4.925 0.718) 4.993 22.252 ( 1.200 1.122 -0.209) 1.656 22.283 ( 0.054 0.479 0.286) 0.560 22.386 ( 1.793 2.007 -1.420) 3.043 22.521 ( 2.130 -2.895 -0.131) 3.596 22.693 ( -0.360 1.943 -1.283) 2.356 22.830 ( -0.237 -0.346 -2.347) 2.384 22.874 ( -2.150 -0.009 -1.548) 2.650 22.957 ( -0.698 -0.187 0.787) 1.069 23.082 ( 0.584 3.539 2.149) 4.181 23.351 ( -0.593 -5.288 -0.992) 5.413 23.532 ( 1.285 3.011 -3.693) 4.935 23.677 ( 2.262 -1.702 -1.931) 3.426 23.807 ( 0.524 5.460 -0.755) 5.537 24.002 ( -0.465 -3.404 -2.983) 4.550 24.135 ( -0.220 -0.085 -0.701) 0.740 24.149 ( -2.541 -0.564 0.685) 2.691 ======================= Grid point 59 (30/96) ======================= q-point: (-0.44 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( -2.811 0.186 8.030) 8.509 1.061 ( 4.437 -1.386 8.428) 9.625 1.349 ( -8.771 -4.100 3.187) 10.193 1.369 ( -1.051 -7.787 7.926) 11.161 1.481 ( -9.479 3.303 -4.538) 11.016 1.767 ( 2.525 -4.221 -3.329) 5.939 1.923 ( 1.521 4.812 -2.746) 5.745 1.995 ( -0.371 2.541 -2.446) 3.546 2.063 ( -4.898 0.657 -4.766) 6.866 2.169 ( 1.322 -1.588 -5.420) 5.801 2.191 ( -3.592 0.451 -3.739) 5.204 2.289 ( -3.968 6.161 -5.239) 9.008 2.317 ( -1.780 1.420 -6.078) 6.490 2.430 ( -1.034 2.856 -2.052) 3.665 2.450 ( 0.456 1.879 -2.208) 2.935 2.584 ( 1.165 0.599 -5.303) 5.462 2.693 ( -4.453 -1.509 7.447) 8.807 2.718 ( -0.312 -6.785 -0.738) 6.833 2.761 ( 3.657 -3.110 -6.104) 7.766 2.851 ( -1.107 -1.616 -5.323) 5.672 2.990 ( -2.077 -6.394 -2.281) 7.099 3.033 ( 1.913 0.408 -1.313) 2.356 3.084 ( 0.807 -2.583 -1.338) 3.019 3.161 ( 0.943 -0.573 -0.058) 1.105 3.308 ( 2.094 3.261 -4.321) 5.804 3.366 ( 1.475 2.848 -0.463) 3.240 3.457 ( -0.206 6.278 0.044) 6.282 3.564 ( -0.155 3.619 -4.975) 6.154 3.693 ( 0.599 6.687 1.994) 7.004 3.751 ( 0.242 1.503 -0.835) 1.737 3.943 ( -0.231 -2.425 -4.492) 5.110 4.055 ( 0.561 -1.328 4.055) 4.303 4.205 ( 2.257 -1.351 1.376) 2.968 4.278 ( 1.219 -5.478 3.994) 6.888 4.328 ( -3.217 -1.603 -3.297) 4.878 4.513 ( -1.508 -1.371 2.832) 3.489 4.574 ( -1.573 4.917 -0.687) 5.208 4.644 ( -3.655 2.244 1.450) 4.528 4.698 ( -0.460 1.177 -1.810) 2.207 4.811 ( 2.837 -0.834 -1.957) 3.547 4.880 ( -1.483 -1.444 1.507) 2.560 4.893 ( 0.702 -0.838 1.773) 2.083 4.924 ( -1.314 0.469 1.229) 1.859 5.026 ( 2.997 0.343 2.160) 3.710 5.141 ( -2.740 -4.618 0.051) 5.370 5.278 ( 3.668 -3.969 0.312) 5.414 5.415 ( -1.962 2.504 2.237) 3.889 5.484 ( 1.353 0.073 0.716) 1.533 5.581 ( 4.049 0.430 0.270) 4.081 5.630 ( 2.885 -0.681 -0.555) 3.015 5.885 ( 2.488 1.721 5.812) 6.552 5.913 ( 1.726 1.373 3.383) 4.039 6.127 ( 4.321 5.580 -1.076) 7.139 6.312 ( -2.710 -1.326 -4.939) 5.787 6.427 ( 0.803 -1.329 1.215) 1.971 6.536 ( 2.164 -5.974 -0.178) 6.357 6.743 ( -0.634 2.322 -1.781) 2.994 6.847 ( -2.424 -1.924 -1.617) 3.492 6.948 ( 0.154 2.349 0.379) 2.384 6.999 ( 0.439 0.865 -0.321) 1.022 8.488 ( 0.750 4.711 -0.713) 4.823 8.558 ( 0.523 1.897 3.864) 4.336 8.634 ( 0.987 -0.636 3.988) 4.157 8.723 ( 2.518 -2.194 -2.140) 3.967 9.228 ( 1.498 0.647 -2.810) 3.249 9.274 ( 1.276 -0.828 0.523) 1.609 9.363 ( -3.798 1.509 -5.555) 6.896 9.473 ( -3.366 -1.995 2.438) 4.610 9.648 ( -3.578 -1.055 -1.786) 4.135 9.685 ( -2.674 -1.760 -0.858) 3.314 9.800 ( 3.031 4.145 1.905) 5.477 9.998 ( 3.761 -3.226 0.968) 5.049 10.467 ( -2.709 -0.814 -0.193) 2.835 10.500 ( -3.426 -1.186 -0.729) 3.698 10.680 ( -2.803 4.554 3.718) 6.513 10.888 ( -3.952 -3.677 0.782) 5.454 11.034 ( 0.586 3.591 -0.069) 3.639 11.183 ( 1.624 0.424 -1.134) 2.026 11.215 ( 2.395 -2.446 1.903) 3.917 11.287 ( 1.287 -3.148 1.517) 3.724 11.973 ( -1.099 0.839 -1.354) 1.935 12.024 ( -0.028 -1.412 -1.037) 1.752 12.182 ( 0.628 1.935 2.476) 3.205 12.194 ( 0.799 1.560 2.375) 2.952 20.269 ( -0.584 0.400 1.366) 1.538 20.297 ( 0.211 -0.518 1.266) 1.384 20.639 ( 0.541 0.065 -6.656) 6.679 20.678 ( 0.587 -0.723 -6.350) 6.417 21.487 ( -2.124 1.248 4.972) 5.550 21.526 ( -2.712 -0.091 3.303) 4.275 21.875 ( 1.431 1.007 -0.587) 1.845 22.024 ( 2.020 -4.703 2.090) 5.529 22.268 ( 0.459 0.654 -0.603) 1.001 22.289 ( -0.057 -0.309 0.848) 0.904 22.384 ( 0.085 3.242 -0.072) 3.244 22.548 ( 0.450 -3.171 1.363) 3.480 22.664 ( -0.541 1.746 -2.577) 3.159 22.800 ( 0.109 -1.613 -3.529) 3.882 22.828 ( 0.075 0.642 -3.675) 3.732 22.950 ( -0.635 -1.364 -0.353) 1.545 23.124 ( 0.338 2.926 3.773) 4.787 23.290 ( -3.321 -2.447 -3.697) 5.539 23.492 ( 0.229 3.618 -4.648) 5.895 23.673 ( 0.175 -3.149 -1.103) 3.341 23.837 ( 3.046 4.182 0.126) 5.175 23.973 ( 1.995 -2.285 -4.648) 5.550 24.114 ( -1.597 0.477 -0.971) 1.929 24.159 ( 3.607 -0.734 0.047) 3.682 ======================= Grid point 60 (31/96) ======================= q-point: (-0.33 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( -13.570 3.349 4.977) 14.837 1.092 ( -12.901 2.353 -1.298) 13.178 1.225 ( -3.463 -2.580 -2.266) 4.877 1.363 ( 3.499 -0.765 -0.344) 3.598 1.486 ( -0.395 -8.150 7.854) 11.325 1.658 ( -11.154 -1.135 -11.327) 15.938 1.763 ( -10.771 2.304 -9.120) 14.300 1.823 ( -1.266 6.943 -5.349) 8.855 2.001 ( -0.436 1.542 -5.043) 5.291 2.058 ( -0.919 -1.920 -7.174) 7.483 2.154 ( 1.339 -2.943 1.008) 3.387 2.233 ( -5.553 -3.007 0.370) 6.326 2.276 ( 0.701 4.346 -2.665) 5.146 2.355 ( -2.733 2.643 -2.186) 4.386 2.373 ( -2.202 2.974 -2.803) 4.642 2.633 ( 3.614 -2.026 -0.661) 4.195 2.675 ( -6.209 -2.038 -1.481) 6.700 2.717 ( -0.429 -4.423 3.534) 5.678 2.761 ( 3.342 -7.118 3.186) 8.485 2.824 ( 2.776 -3.330 -5.115) 6.705 2.970 ( 3.781 -4.168 -2.379) 6.109 3.054 ( 0.482 -0.815 -4.588) 4.685 3.098 ( 3.425 3.759 3.845) 6.375 3.156 ( 1.813 -0.332 -4.495) 4.859 3.272 ( 1.870 2.227 -5.044) 5.822 3.350 ( 0.385 3.917 -4.241) 5.786 3.484 ( 1.627 7.277 3.326) 8.165 3.557 ( 3.099 2.643 -1.634) 4.388 3.760 ( 5.787 0.273 0.281) 5.800 3.798 ( 2.916 5.318 3.059) 6.793 3.909 ( 0.821 -1.821 -0.135) 2.002 4.073 ( -1.167 0.377 0.019) 1.227 4.218 ( 0.358 1.999 -2.781) 3.444 4.296 ( 0.130 -4.791 2.948) 5.627 4.363 ( 1.312 -2.382 4.592) 5.337 4.494 ( -2.553 1.540 -1.693) 3.428 4.551 ( -7.240 1.080 0.309) 7.326 4.554 ( -2.004 0.057 1.843) 2.724 4.672 ( -2.086 2.924 0.349) 3.609 4.788 ( -0.310 2.830 -4.421) 5.258 4.896 ( 0.518 -4.393 1.238) 4.593 4.908 ( 0.138 -2.573 0.929) 2.739 4.961 ( 1.743 -1.685 4.080) 4.745 5.084 ( 2.314 -1.545 4.546) 5.330 5.174 ( 2.316 2.059 1.791) 3.579 5.335 ( 2.087 -2.523 -0.260) 3.284 5.392 ( -2.661 2.859 -1.027) 4.039 5.475 ( -0.548 -2.528 -2.336) 3.485 5.573 ( 1.538 3.199 -2.811) 4.528 5.740 ( 6.524 -1.622 2.213) 7.077 5.984 ( 3.567 1.342 3.768) 5.359 6.027 ( 4.401 0.753 6.868) 8.191 6.175 ( 3.043 2.688 -3.868) 5.608 6.260 ( 1.466 2.550 0.227) 2.950 6.435 ( 0.520 -2.195 -1.814) 2.895 6.572 ( 3.661 -5.324 -2.017) 6.769 6.706 ( -1.922 1.252 -1.713) 2.863 6.765 ( -4.704 -2.385 -2.373) 5.783 6.946 ( -0.207 2.147 -0.886) 2.332 6.992 ( -0.027 0.985 -1.429) 1.736 8.503 ( 2.019 5.535 -0.385) 5.905 8.616 ( 0.477 1.641 4.783) 5.079 8.694 ( 1.505 -1.350 2.857) 3.500 8.744 ( 3.005 -1.523 -1.951) 3.893 9.218 ( -2.528 1.708 -4.050) 5.070 9.235 ( 0.098 1.712 -4.258) 4.590 9.303 ( 0.294 -0.929 2.079) 2.296 9.414 ( -4.289 -5.229 -3.030) 7.411 9.568 ( -4.382 1.857 1.294) 4.932 9.661 ( -1.707 -2.237 1.161) 3.045 9.873 ( 3.443 3.428 1.746) 5.163 10.054 ( 2.967 -2.959 -0.253) 4.198 10.408 ( -7.150 -0.493 -0.383) 7.177 10.424 ( -3.634 -1.780 1.924) 4.481 10.658 ( -8.230 2.479 7.282) 11.265 10.748 ( -10.814 -0.288 -1.644) 10.942 11.093 ( 4.678 1.924 0.051) 5.058 11.192 ( 1.442 0.480 -1.317) 2.011 11.270 ( 1.424 -2.879 1.323) 3.473 11.319 ( 0.709 -6.731 0.371) 6.779 11.937 ( -1.162 1.018 -1.784) 2.360 12.012 ( -0.003 -2.551 -0.783) 2.669 12.231 ( 1.520 3.927 2.992) 5.165 12.255 ( 2.217 3.784 4.821) 6.517 20.265 ( -1.811 0.289 1.339) 2.271 20.300 ( -1.202 -0.889 0.468) 1.566 20.575 ( 2.610 -0.342 -9.430) 9.790 20.637 ( 3.513 -1.423 -6.062) 7.150 21.508 ( -2.267 0.123 3.861) 4.479 21.525 ( -3.380 -0.853 5.431) 6.454 21.909 ( 2.939 3.192 0.991) 4.450 22.087 ( 2.683 -4.276 2.334) 5.562 22.246 ( -1.518 0.666 -2.639) 3.117 22.271 ( -1.557 0.929 0.049) 1.814 22.429 ( 1.711 1.300 4.805) 5.263 22.555 ( -3.263 -3.416 2.638) 5.411 22.619 ( -0.497 1.999 -3.808) 4.329 22.740 ( 0.811 -1.988 -7.184) 7.498 22.798 ( 1.426 1.264 -3.814) 4.263 22.924 ( -0.826 -2.439 -2.562) 3.633 23.168 ( -1.021 0.918 3.460) 3.722 23.200 ( -2.080 -0.012 -2.324) 3.119 23.443 ( -0.722 5.012 -3.059) 5.916 23.663 ( -0.721 -5.166 -0.455) 5.236 23.884 ( 2.844 1.648 -0.431) 3.315 23.954 ( 3.386 -0.613 -5.909) 6.838 24.088 ( 1.833 4.362 -3.062) 5.636 24.235 ( 5.710 -1.418 0.149) 5.886 ======================= Grid point 61 (32/96) ======================= q-point: (-0.22 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( -15.617 9.054 -9.794) 20.537 0.813 ( -18.117 8.123 0.968) 19.878 1.134 ( -9.695 -1.396 -2.965) 10.234 1.200 ( -12.741 9.890 -8.426) 18.197 1.422 ( -1.424 -15.102 -4.986) 15.968 1.579 ( 4.198 2.475 2.636) 5.540 1.645 ( -1.063 0.909 -2.046) 2.478 1.802 ( 0.625 3.484 4.996) 6.123 1.921 ( -3.426 -1.746 -3.701) 5.336 2.056 ( 3.285 -2.146 0.369) 3.941 2.091 ( -4.879 -2.621 -4.800) 7.329 2.150 ( -1.640 -5.242 -1.504) 5.695 2.280 ( -0.103 2.648 2.122) 3.395 2.307 ( -3.077 1.824 -0.272) 3.587 2.383 ( 3.511 -0.319 0.337) 3.542 2.587 ( -4.709 -3.026 0.905) 5.670 2.622 ( -2.933 -4.936 0.537) 5.767 2.752 ( 0.061 -1.096 -4.034) 4.180 2.763 ( -0.681 -1.156 0.162) 1.351 2.873 ( 2.753 -4.234 4.068) 6.485 2.989 ( -0.919 -0.430 -5.114) 5.213 3.000 ( 1.812 -1.461 -3.144) 3.912 3.179 ( 5.864 0.277 1.828) 6.148 3.198 ( 3.065 4.927 0.397) 5.817 3.305 ( 4.128 -1.179 -2.375) 4.906 3.321 ( 5.446 2.730 0.220) 6.096 3.567 ( 1.758 1.143 -3.114) 3.754 3.576 ( 3.001 8.374 4.052) 9.775 3.826 ( 5.206 4.200 -1.562) 6.869 3.914 ( 4.108 -6.116 4.157) 8.460 3.956 ( 2.075 -0.691 2.387) 3.237 4.059 ( 0.885 1.295 -1.077) 1.902 4.195 ( 1.132 5.118 -2.184) 5.679 4.327 ( -1.900 1.025 2.651) 3.419 4.354 ( -4.175 1.023 -1.931) 4.712 4.443 ( -2.073 -0.773 -0.831) 2.363 4.490 ( -1.471 -0.141 3.088) 3.423 4.542 ( -3.022 3.097 3.148) 5.351 4.665 ( 0.261 -0.159 1.174) 1.213 4.711 ( -3.601 4.225 -2.716) 6.180 4.928 ( 2.635 -4.906 -0.759) 5.620 4.935 ( 0.570 -1.909 2.047) 2.856 5.038 ( 2.606 -0.670 3.358) 4.303 5.160 ( -3.061 0.934 -2.578) 4.110 5.202 ( 2.245 -2.781 2.606) 4.423 5.276 ( -3.360 1.051 -0.849) 3.622 5.375 ( 4.449 -0.653 -1.785) 4.838 5.486 ( 1.819 -1.994 -0.243) 2.710 5.588 ( 2.647 4.885 -0.280) 5.563 5.820 ( 3.597 -4.557 -4.215) 7.174 6.083 ( 4.882 1.003 1.331) 5.158 6.154 ( 2.458 5.638 1.221) 6.271 6.190 ( 4.846 -1.993 3.543) 6.325 6.313 ( 2.241 2.806 1.328) 3.829 6.402 ( -1.126 -1.112 -2.465) 2.929 6.589 ( 4.403 -3.776 -6.583) 8.774 6.631 ( -4.632 0.640 -1.408) 4.884 6.683 ( -3.584 -1.498 -0.212) 3.890 6.919 ( -1.132 1.683 -2.272) 3.046 6.964 ( -0.285 0.256 -2.863) 2.889 8.544 ( 4.110 7.180 -0.304) 8.279 8.668 ( 0.642 1.540 1.854) 2.494 8.737 ( 0.239 -1.182 1.627) 2.025 8.768 ( 3.396 -1.678 -1.676) 4.142 9.091 ( -3.243 1.922 -5.711) 6.843 9.249 ( 1.313 0.614 -0.589) 1.564 9.301 ( -3.750 -4.312 -2.410) 6.202 9.328 ( -1.519 -0.508 2.908) 3.319 9.539 ( -2.715 2.792 2.171) 4.459 9.665 ( 0.679 -2.909 1.328) 3.269 9.935 ( 2.196 2.346 1.063) 3.385 10.080 ( 1.823 -2.384 -1.846) 3.524 10.289 ( -8.368 1.163 1.143) 8.526 10.403 ( -3.119 -1.795 2.175) 4.205 10.495 ( -12.591 -0.500 -2.196) 12.791 10.663 ( -11.898 -7.020 12.727) 18.783 11.146 ( 2.862 0.490 -1.110) 3.108 11.199 ( 1.289 0.257 -1.074) 1.697 11.286 ( -0.318 -2.096 0.227) 2.133 11.292 ( -2.288 -7.904 -3.265) 8.853 11.904 ( -0.893 1.292 -0.857) 1.790 12.009 ( 0.383 -3.680 -0.245) 3.708 12.286 ( 2.035 6.167 1.377) 6.638 12.383 ( 5.668 5.054 6.952) 10.296 20.250 ( -1.567 -0.118 0.709) 1.724 20.272 ( -1.710 -1.219 -1.195) 2.416 20.494 ( 1.193 1.706 -9.580) 9.804 20.651 ( 4.510 -3.033 -2.574) 6.014 21.502 ( -2.884 0.007 2.645) 3.913 21.546 ( -4.415 -3.926 8.029) 9.969 21.989 ( 4.619 4.239 2.804) 6.867 22.142 ( 2.032 -2.246 -1.072) 3.213 22.189 ( -1.968 -0.050 -0.091) 1.971 22.256 ( -0.881 0.400 -0.331) 1.022 22.456 ( -6.227 -1.011 -0.592) 6.337 22.506 ( -2.964 -3.010 0.155) 4.227 22.592 ( 2.760 3.939 -0.761) 4.869 22.713 ( 3.448 -1.196 -2.730) 4.558 22.777 ( 1.237 0.338 -3.764) 3.976 22.866 ( -1.074 -3.071 -3.906) 5.083 23.149 ( -0.208 1.651 -0.030) 1.664 23.212 ( -0.562 -0.789 3.023) 3.175 23.406 ( -1.670 6.070 -0.130) 6.297 23.618 ( -2.565 -5.180 -4.125) 7.101 23.911 ( 3.335 0.843 -2.771) 4.417 23.943 ( 2.592 -0.515 -3.901) 4.712 24.116 ( 7.416 10.121 -4.401) 13.296 24.325 ( 5.615 -1.401 -0.082) 5.788 ======================= Grid point 62 (33/96) ======================= q-point: (-0.11 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.479 ( -2.631 18.289 2.960) 18.713 0.607 ( -12.882 15.053 6.053) 20.716 0.843 ( -15.848 23.819 2.646) 28.732 1.155 ( 0.869 -10.667 5.250) 11.920 1.396 ( 1.076 -16.994 0.540) 17.037 1.617 ( 1.556 6.034 1.518) 6.414 1.691 ( -0.100 2.635 5.438) 6.044 1.817 ( -1.656 -2.045 -1.606) 3.083 1.866 ( -2.630 -5.011 0.596) 5.691 2.008 ( -0.071 -1.774 -2.990) 3.477 2.103 ( 2.253 -2.436 -0.177) 3.323 2.137 ( 1.336 -0.215 1.252) 1.843 2.253 ( -2.097 1.917 -2.235) 3.615 2.311 ( -1.213 2.311 4.036) 4.807 2.409 ( 0.988 -8.154 -4.104) 9.182 2.536 ( -0.367 3.408 -2.409) 4.189 2.596 ( -3.718 -6.090 3.759) 8.065 2.700 ( -0.130 -3.446 0.096) 3.450 2.793 ( -0.155 4.129 5.286) 6.710 2.892 ( -2.202 -3.320 -2.410) 4.656 2.962 ( 2.007 -2.190 3.400) 4.515 2.999 ( 0.284 -1.812 -0.906) 2.046 3.186 ( -0.435 8.134 -2.950) 8.663 3.315 ( 5.724 -0.992 -0.234) 5.814 3.356 ( 5.600 -0.938 2.666) 6.273 3.467 ( 2.612 4.470 3.676) 6.350 3.561 ( 4.539 -0.925 -1.195) 4.784 3.647 ( 1.599 4.877 1.296) 5.293 3.883 ( 2.803 -1.472 -1.958) 3.723 3.976 ( 0.669 -5.913 2.679) 6.526 3.997 ( 0.639 -2.876 1.179) 3.173 4.063 ( 1.536 -0.727 -1.632) 2.356 4.199 ( 0.349 7.223 -3.985) 8.256 4.255 ( -3.172 3.852 0.438) 5.010 4.348 ( 2.025 3.307 -0.159) 3.881 4.402 ( -2.196 -1.715 -0.385) 2.813 4.476 ( -5.876 -1.164 1.403) 6.152 4.575 ( 2.794 8.061 1.202) 8.616 4.647 ( -0.102 2.974 -1.062) 3.159 4.704 ( 2.854 -1.123 -1.110) 3.262 4.933 ( 0.608 -4.103 -2.779) 4.993 4.959 ( 0.769 -2.228 -0.817) 2.494 5.074 ( -1.191 0.784 -2.227) 2.644 5.097 ( 0.066 -0.204 1.429) 1.445 5.155 ( -1.012 1.313 -0.304) 1.685 5.337 ( 0.479 -3.698 -0.410) 3.751 5.410 ( 2.528 -0.193 -1.027) 2.735 5.486 ( -0.293 -1.444 -1.913) 2.415 5.665 ( 4.861 2.478 -1.196) 5.586 5.746 ( -0.230 -0.523 -2.951) 3.006 6.141 ( 2.220 1.147 -0.616) 2.574 6.200 ( 1.772 -0.859 -0.367) 2.003 6.286 ( 2.342 4.181 -1.584) 5.047 6.325 ( 2.009 2.826 -2.565) 4.313 6.418 ( 0.259 2.891 6.547) 7.162 6.534 ( -1.452 -3.280 -1.602) 3.929 6.630 ( -2.440 -3.239 -0.960) 4.167 6.654 ( 7.088 2.258 3.231) 8.110 6.864 ( -1.858 1.192 -2.465) 3.309 6.932 ( 0.616 -0.902 -2.423) 2.658 8.623 ( 7.692 7.799 -3.205) 11.414 8.667 ( 0.482 1.454 -3.072) 3.433 8.733 ( -0.188 -0.256 -0.803) 0.863 8.810 ( 2.220 -0.401 -0.463) 2.303 9.018 ( -0.410 1.363 -0.505) 1.510 9.206 ( -1.788 -5.196 -1.244) 5.634 9.296 ( -0.088 1.492 2.062) 2.547 9.336 ( -2.047 0.391 3.139) 3.767 9.529 ( -0.107 3.995 0.132) 3.999 9.706 ( 2.362 -3.428 0.667) 4.216 9.947 ( -1.662 0.311 -0.314) 1.719 10.045 ( -3.405 -2.244 -5.005) 6.456 10.185 ( -7.695 1.572 2.649) 8.289 10.284 ( -5.427 2.936 -2.236) 6.563 10.423 ( -1.565 -3.600 2.451) 4.628 10.517 ( -26.362 -21.273 9.078) 35.071 11.161 ( 2.335 0.693 -1.166) 2.701 11.203 ( 0.824 -0.595 -1.002) 1.427 11.230 ( -0.574 0.134 0.428) 0.729 11.280 ( -0.693 -1.490 0.247) 1.661 11.895 ( -0.200 1.436 0.793) 1.653 12.016 ( 0.419 -4.261 0.265) 4.290 12.312 ( 1.091 7.193 -1.394) 7.408 12.513 ( 4.531 1.314 -4.930) 6.823 20.233 ( -0.991 -0.333 -0.368) 1.109 20.241 ( -0.594 -1.036 0.309) 1.234 20.463 ( 2.840 4.686 5.031) 7.439 20.706 ( 3.376 -4.165 1.109) 5.475 21.486 ( -2.875 -0.060 2.579) 3.863 21.555 ( -7.623 -7.721 8.722) 13.921 22.101 ( 2.986 1.582 -0.650) 3.442 22.119 ( 1.714 0.393 0.619) 1.864 22.175 ( -2.573 -1.960 -2.382) 4.017 22.230 ( 0.768 0.042 -1.118) 1.357 22.328 ( -4.961 1.087 -3.116) 5.958 22.462 ( -0.846 -2.808 -1.191) 3.165 22.633 ( 0.981 3.680 0.283) 3.819 22.749 ( 2.349 2.444 -2.374) 4.138 22.770 ( 2.331 -1.363 2.518) 3.692 22.860 ( 1.248 -2.599 3.389) 4.449 23.179 ( 2.894 0.586 1.008) 3.120 23.227 ( -1.195 -1.504 1.663) 2.541 23.374 ( -3.464 4.077 -1.456) 5.544 23.512 ( -0.580 1.055 -5.016) 5.159 23.923 ( 2.053 1.188 -2.403) 3.376 23.963 ( 4.153 0.860 -1.349) 4.450 24.211 ( 12.339 12.327 -5.977) 18.438 24.395 ( 3.574 -0.868 -0.383) 3.698 ======================= Grid point 63 (34/96) ======================= q-point: ( 0.00 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( -1.307 -11.618 6.476) 13.365 0.911 ( -1.307 11.618 6.476) 13.365 1.058 ( 2.176 -15.503 8.660) 17.891 1.058 ( 2.176 15.503 8.660) 17.891 1.447 ( 3.150 -21.582 5.858) 22.584 1.447 ( 3.150 21.582 5.858) 22.584 1.666 ( -3.544 -2.859 -4.892) 6.683 1.666 ( -3.544 2.859 -4.892) 6.683 1.958 ( 2.762 -6.261 6.419) 9.382 1.958 ( 2.762 6.261 6.419) 9.382 2.122 ( -0.215 -3.722 2.959) 4.760 2.122 ( -0.215 3.722 2.959) 4.760 2.266 ( 0.750 -3.639 -2.350) 4.396 2.266 ( 0.750 3.639 -2.350) 4.396 2.460 ( 0.117 -5.236 -0.575) 5.269 2.460 ( 0.117 5.236 -0.575) 5.269 2.652 ( 0.327 -3.722 4.413) 5.782 2.652 ( 0.327 3.722 4.413) 5.782 2.836 ( -1.336 -1.779 0.847) 2.381 2.836 ( -1.336 1.779 0.847) 2.381 3.025 ( 1.646 -4.220 5.472) 7.104 3.025 ( 1.646 4.220 5.472) 7.104 3.312 ( 2.080 -6.371 -0.651) 6.734 3.312 ( 2.080 6.371 -0.651) 6.734 3.456 ( -1.842 -4.614 2.016) 5.361 3.456 ( -1.842 4.614 2.016) 5.361 3.663 ( -0.873 -6.592 -5.316) 8.513 3.663 ( -0.873 6.592 -5.316) 8.513 3.808 ( -0.925 -9.468 1.327) 9.606 3.808 ( -0.925 9.468 1.327) 9.606 4.059 ( -0.211 -1.637 2.885) 3.324 4.059 ( -0.211 1.637 2.885) 3.324 4.288 ( 1.704 -2.050 -1.561) 3.089 4.288 ( 1.704 2.050 -1.561) 3.089 4.372 ( -0.382 -2.256 -1.456) 2.712 4.372 ( -0.382 2.256 -1.456) 2.712 4.467 ( -2.465 -5.092 -0.337) 5.668 4.467 ( -2.465 5.092 -0.337) 5.668 4.746 ( 1.322 -3.897 -2.160) 4.648 4.746 ( 1.322 3.897 -2.160) 4.648 4.885 ( 0.232 -3.207 -3.000) 4.398 4.885 ( 0.232 3.207 -3.000) 4.398 5.076 ( 1.477 -0.999 -1.034) 2.061 5.076 ( 1.477 0.999 -1.034) 2.061 5.248 ( -1.710 -2.577 -1.616) 3.490 5.248 ( -1.710 2.577 -1.616) 3.490 5.449 ( 0.700 -1.864 -0.578) 2.074 5.449 ( 0.700 1.864 -0.578) 2.074 5.723 ( 1.992 -5.345 -1.232) 5.836 5.723 ( 1.992 5.345 -1.232) 5.836 6.163 ( 1.190 -1.584 -3.308) 3.856 6.163 ( 1.190 1.584 -3.308) 3.856 6.324 ( -3.059 -2.159 -1.512) 4.038 6.324 ( -3.059 2.159 -1.512) 4.038 6.518 ( -0.048 -1.429 0.830) 1.654 6.518 ( -0.048 1.429 0.830) 1.654 6.692 ( 2.358 -8.986 4.933) 10.518 6.692 ( 2.358 8.986 4.933) 10.518 6.874 ( 1.944 -2.729 -0.275) 3.362 6.874 ( 1.944 2.729 -0.275) 3.362 8.639 ( -0.642 -1.250 -4.579) 4.790 8.639 ( -0.642 1.250 -4.579) 4.790 8.825 ( 2.044 -1.591 -1.232) 2.868 8.825 ( 2.044 1.591 -1.232) 2.868 9.114 ( 3.126 -3.340 2.999) 5.470 9.114 ( 3.126 3.340 2.999) 5.470 9.332 ( -2.218 -0.908 2.545) 3.496 9.332 ( -2.218 0.908 2.545) 3.496 9.629 ( -0.548 -4.198 -3.024) 5.203 9.629 ( -0.548 4.198 -3.024) 5.203 9.875 ( -2.766 -1.990 -1.357) 3.668 9.875 ( -2.766 1.990 -1.357) 3.668 10.177 ( -3.142 -2.729 2.506) 4.858 10.177 ( -3.142 2.729 2.506) 4.858 10.370 ( 2.097 -3.519 1.985) 4.552 10.370 ( 2.097 3.519 1.985) 4.552 11.207 ( 1.623 -0.511 0.110) 1.705 11.207 ( 1.623 0.511 0.110) 1.705 11.253 ( -0.525 -0.604 1.417) 1.627 11.253 ( -0.525 0.604 1.417) 1.627 11.957 ( 0.283 -2.447 1.890) 3.105 11.957 ( 0.283 2.447 1.890) 3.105 12.395 ( -1.667 -3.126 -7.091) 7.926 12.395 ( -1.667 3.126 -7.091) 7.926 20.221 ( 0.128 -0.752 -0.539) 0.934 20.221 ( 0.128 0.752 -0.539) 0.934 20.681 ( 2.046 -3.278 7.120) 8.101 20.681 ( 2.046 3.278 7.120) 8.101 21.474 ( -3.103 -0.414 3.320) 4.563 21.474 ( -3.103 0.414 3.320) 4.563 22.066 ( -1.101 -2.012 -5.015) 5.514 22.066 ( -1.101 2.012 -5.015) 5.514 22.215 ( 1.453 -2.675 1.287) 3.305 22.215 ( 1.453 2.675 1.287) 3.305 22.351 ( 0.680 -4.353 -2.688) 5.161 22.351 ( 0.680 4.353 -2.688) 5.161 22.760 ( 2.174 -4.327 2.526) 5.462 22.760 ( 2.174 4.327 2.526) 5.462 22.874 ( -0.001 -2.319 5.918) 6.356 22.874 ( -0.001 2.319 5.918) 6.356 23.191 ( -0.863 -0.407 -0.476) 1.067 23.191 ( -0.863 0.407 -0.476) 1.067 23.428 ( 0.894 -5.044 -2.111) 5.541 23.428 ( 0.894 5.044 -2.111) 5.541 23.978 ( 1.067 -2.470 0.731) 2.788 23.978 ( 1.067 2.470 0.731) 2.788 24.395 ( 1.870 -1.757 -3.014) 3.958 24.395 ( 1.870 1.757 -3.014) 3.958 ======================= Grid point 65 (35/96) ======================= q-point: ( 0.11 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( 2.725 -8.336 3.620) 9.488 0.980 ( 2.725 8.336 3.620) 9.488 1.098 ( -3.834 -7.526 0.048) 8.447 1.098 ( -3.834 7.526 0.048) 8.447 1.507 ( 0.632 -2.653 -2.920) 3.996 1.507 ( 0.632 2.653 -2.920) 3.996 1.722 ( 9.629 -14.663 7.725) 19.167 1.722 ( 9.629 14.663 7.725) 19.167 2.075 ( 1.102 -2.564 4.771) 5.527 2.075 ( 1.102 2.564 4.771) 5.527 2.158 ( -1.410 -2.477 3.566) 4.565 2.158 ( -1.410 2.477 3.566) 4.565 2.277 ( 4.633 -5.424 1.813) 7.360 2.277 ( 4.633 5.424 1.813) 7.360 2.458 ( 0.393 -4.345 0.251) 4.370 2.458 ( 0.393 4.345 0.251) 4.370 2.725 ( -0.035 -4.966 8.042) 9.452 2.725 ( -0.035 4.966 8.042) 9.452 2.847 ( -0.113 -3.799 2.209) 4.396 2.847 ( -0.113 3.799 2.209) 4.396 3.090 ( -0.163 -3.077 2.668) 4.076 3.090 ( -0.163 3.077 2.668) 4.076 3.317 ( -3.253 -6.092 0.053) 6.906 3.317 ( -3.253 6.092 0.053) 6.906 3.447 ( -0.977 -0.594 5.056) 5.184 3.447 ( -0.977 0.594 5.056) 5.184 3.572 ( -2.154 -6.075 -6.611) 9.233 3.572 ( -2.154 6.075 -6.611) 9.233 3.816 ( -0.231 -8.796 2.179) 9.065 3.816 ( -0.231 8.796 2.179) 9.065 4.053 ( -4.008 -1.864 1.740) 4.750 4.053 ( -4.008 1.864 1.740) 4.750 4.294 ( -0.340 -3.826 -2.814) 4.761 4.294 ( -0.340 3.826 -2.814) 4.761 4.377 ( 4.481 -4.681 -1.136) 6.579 4.377 ( 4.481 4.681 -1.136) 6.579 4.427 ( -0.477 -4.792 -0.623) 4.856 4.427 ( -0.477 4.792 -0.623) 4.856 4.745 ( 1.747 -4.513 -2.847) 5.614 4.745 ( 1.747 4.513 -2.847) 5.614 4.844 ( -1.378 -3.434 -1.671) 4.060 4.844 ( -1.378 3.434 -1.671) 4.060 5.081 ( -2.267 -1.170 -1.573) 2.997 5.081 ( -2.267 1.170 -1.573) 2.997 5.190 ( -0.143 -4.253 -0.365) 4.272 5.190 ( -0.143 4.253 -0.365) 4.272 5.455 ( 0.426 -1.711 -0.411) 1.810 5.455 ( 0.426 1.711 -0.411) 1.810 5.731 ( 0.198 -5.234 -1.032) 5.339 5.731 ( 0.198 5.234 -1.032) 5.339 6.089 ( -4.543 -1.626 -5.361) 7.213 6.089 ( -4.543 1.626 -5.361) 7.213 6.310 ( 1.472 -6.055 1.214) 6.348 6.310 ( 1.472 6.055 1.214) 6.348 6.520 ( -2.360 -3.967 2.158) 5.095 6.520 ( -2.360 3.967 2.158) 5.095 6.727 ( 0.060 -4.901 0.346) 4.914 6.727 ( 0.060 4.901 0.346) 4.914 6.923 ( 3.398 -1.387 -0.390) 3.691 6.923 ( 3.398 1.387 -0.390) 3.691 8.583 ( -0.584 -1.675 -3.314) 3.758 8.583 ( -0.584 1.675 -3.314) 3.758 8.804 ( -2.009 -4.416 -1.890) 5.207 8.804 ( -2.009 4.416 -1.890) 5.207 9.222 ( 4.516 -2.935 3.223) 6.277 9.222 ( 4.516 2.935 3.223) 6.277 9.323 ( -1.394 -0.363 2.199) 2.629 9.323 ( -1.394 0.363 2.199) 2.629 9.576 ( -1.258 -3.936 -0.512) 4.164 9.576 ( -1.258 3.936 -0.512) 4.164 9.878 ( 4.142 -2.870 -3.951) 6.403 9.878 ( 4.142 2.870 -3.951) 6.403 10.195 ( 2.003 -3.171 1.995) 4.248 10.195 ( 2.003 3.171 1.995) 4.248 10.454 ( 5.838 -1.617 1.467) 6.233 10.454 ( 5.838 1.617 1.467) 6.233 11.222 ( 0.177 -1.272 -0.267) 1.311 11.222 ( 0.177 1.272 -0.267) 1.311 11.262 ( -0.642 -1.172 1.447) 1.970 11.262 ( -0.642 1.172 1.447) 1.970 11.988 ( 0.224 -1.491 2.674) 3.070 11.988 ( 0.224 1.491 2.674) 3.070 12.280 ( -2.305 -0.174 -6.504) 6.903 12.280 ( -2.305 0.174 -6.504) 6.903 20.218 ( 0.973 -1.133 -1.410) 2.054 20.218 ( 0.973 1.133 -1.410) 2.054 20.779 ( -0.605 -1.545 7.191) 7.380 20.779 ( -0.605 1.545 7.191) 7.380 21.472 ( -1.928 -0.983 3.031) 3.724 21.472 ( -1.928 0.983 3.031) 3.724 21.995 ( -0.893 -2.981 -4.549) 5.511 21.995 ( -0.893 2.981 -4.549) 5.511 22.250 ( 1.440 -1.791 0.574) 2.369 22.250 ( 1.440 1.791 0.574) 2.369 22.339 ( 2.103 -2.218 -2.816) 4.156 22.339 ( 2.103 2.218 -2.816) 4.156 22.831 ( 1.227 -5.960 4.153) 7.367 22.831 ( 1.227 5.960 4.153) 7.367 22.916 ( -2.214 -1.382 4.543) 5.239 22.916 ( -2.214 1.382 4.543) 5.239 23.166 ( -0.859 -2.665 -0.775) 2.905 23.166 ( -0.859 2.665 -0.775) 2.905 23.452 ( 4.325 -4.085 -1.154) 6.060 23.452 ( 4.325 4.085 -1.154) 6.060 23.995 ( -0.544 -3.351 1.583) 3.746 23.995 ( -0.544 3.351 1.583) 3.746 24.349 ( -2.815 -1.818 -3.196) 4.631 24.349 ( -2.815 1.818 -3.196) 4.631 ======================= Grid point 67 (36/96) ======================= q-point: ( 0.22 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( -2.024 -5.966 -7.765) 10.000 0.956 ( -2.024 5.966 -7.765) 10.000 1.109 ( 1.082 -11.207 7.691) 13.636 1.109 ( 1.082 11.207 7.691) 13.636 1.545 ( 4.814 -7.396 1.529) 8.956 1.545 ( 4.814 7.396 1.529) 8.956 1.899 ( 5.931 -9.755 -1.929) 11.578 1.899 ( 5.931 9.755 -1.929) 11.578 2.068 ( 2.301 -4.029 -4.920) 6.763 2.068 ( 2.301 4.029 -4.920) 6.763 2.218 ( 2.799 -5.329 5.183) 7.943 2.218 ( 2.799 5.329 5.183) 7.943 2.427 ( 4.359 -3.575 8.453) 10.161 2.427 ( 4.359 3.575 8.453) 10.161 2.496 ( 1.569 -2.037 4.336) 5.041 2.496 ( 1.569 2.037 4.336) 5.041 2.789 ( -2.544 -8.524 3.527) 9.569 2.789 ( -2.544 8.524 3.527) 9.569 2.875 ( -1.674 -8.398 5.428) 10.138 2.875 ( -1.674 8.398 5.428) 10.138 3.085 ( -0.960 -4.176 -0.942) 4.388 3.085 ( -0.960 4.176 -0.942) 4.388 3.234 ( -6.980 -6.600 0.621) 9.626 3.234 ( -6.980 6.600 0.621) 9.626 3.440 ( -3.706 -2.862 -2.095) 5.130 3.440 ( -3.706 2.862 -2.095) 5.130 3.541 ( 3.113 -6.728 0.369) 7.422 3.541 ( 3.113 6.728 0.369) 7.422 3.848 ( 0.332 -4.002 2.911) 4.960 3.848 ( 0.332 4.002 2.911) 4.960 3.999 ( -4.862 -2.564 1.927) 5.825 3.999 ( -4.862 2.564 1.927) 5.825 4.229 ( -2.986 -3.295 -2.740) 5.223 4.229 ( -2.986 3.295 -2.740) 5.223 4.393 ( 1.338 -4.392 -1.127) 4.728 4.393 ( 1.338 4.392 -1.127) 4.728 4.513 ( 7.231 -2.055 2.251) 7.848 4.513 ( 7.231 2.055 2.251) 7.848 4.740 ( 3.807 -4.932 -4.495) 7.682 4.740 ( 3.807 4.932 -4.495) 7.682 4.818 ( -1.149 -2.753 0.117) 2.985 4.818 ( -1.149 2.753 0.117) 2.985 4.980 ( -6.357 -0.528 -0.620) 6.408 4.980 ( -6.357 0.528 -0.620) 6.408 5.225 ( 1.757 -4.150 0.091) 4.507 5.225 ( 1.757 4.150 0.091) 4.507 5.448 ( -0.381 -1.928 -0.716) 2.091 5.448 ( -0.381 1.928 -0.716) 2.091 5.697 ( -2.551 -2.506 -2.114) 4.154 5.697 ( -2.551 2.506 -2.114) 4.154 5.951 ( -5.173 -0.956 -3.748) 6.460 5.951 ( -5.173 0.956 -3.748) 6.460 6.337 ( 0.700 -2.928 -1.359) 3.303 6.337 ( 0.700 2.928 -1.359) 3.303 6.483 ( -4.664 -4.077 1.584) 6.394 6.483 ( -4.664 4.077 1.584) 6.394 6.753 ( 3.072 -1.328 0.694) 3.418 6.753 ( 3.072 1.328 0.694) 3.418 6.957 ( 1.933 -0.377 -0.657) 2.076 6.957 ( 1.933 0.377 -0.657) 2.076 8.548 ( -0.127 -1.883 -1.809) 2.615 8.548 ( -0.127 1.883 -1.809) 2.615 8.736 ( -3.510 -6.182 -1.944) 7.370 8.736 ( -3.510 6.182 -1.944) 7.370 9.256 ( 0.054 -0.998 -1.077) 1.470 9.256 ( 0.054 0.998 -1.077) 1.470 9.390 ( 3.086 -3.171 4.006) 5.969 9.390 ( 3.086 3.171 4.006) 5.969 9.599 ( 1.804 -1.734 3.766) 4.521 9.599 ( 1.804 1.734 3.766) 4.521 9.872 ( 1.927 -3.977 -5.307) 6.906 9.872 ( 1.927 3.977 -5.307) 6.906 10.279 ( 6.186 -3.458 1.223) 7.192 10.279 ( 6.186 3.458 1.223) 7.192 10.568 ( 7.371 -3.519 0.179) 8.170 10.568 ( 7.371 3.519 0.179) 8.170 11.204 ( -1.824 -2.145 -0.551) 2.869 11.204 ( -1.824 2.145 -0.551) 2.869 11.260 ( -1.046 -1.335 0.605) 1.800 11.260 ( -1.046 1.335 0.605) 1.800 12.018 ( -0.274 -0.669 2.385) 2.492 12.018 ( -0.274 0.669 2.385) 2.492 12.194 ( -1.078 -0.580 -3.752) 3.946 12.194 ( -1.078 0.580 -3.752) 3.946 20.222 ( 1.680 -1.165 -1.422) 2.490 20.222 ( 1.680 1.165 -1.422) 2.490 20.818 ( -2.968 -1.451 4.488) 5.573 20.818 ( -2.968 1.451 4.488) 5.573 21.481 ( -1.455 -1.569 3.044) 3.721 21.481 ( -1.455 1.569 3.044) 3.721 21.938 ( -0.762 -3.439 -3.225) 4.776 21.938 ( -0.762 3.439 -3.225) 4.776 22.263 ( 0.709 -0.448 -0.755) 1.128 22.263 ( 0.709 0.448 -0.755) 1.128 22.362 ( 3.906 -2.917 -1.438) 5.082 22.362 ( 3.906 2.917 -1.438) 5.082 22.856 ( -3.255 -5.825 2.354) 7.076 22.856 ( -3.255 5.825 2.354) 7.076 22.932 ( -0.614 -1.349 2.504) 2.910 22.932 ( -0.614 1.349 2.504) 2.910 23.159 ( 0.779 -5.016 -0.216) 5.080 23.159 ( 0.779 5.016 -0.216) 5.080 23.519 ( 5.106 -2.998 -0.280) 5.927 23.519 ( 5.106 2.998 -0.280) 5.927 23.994 ( -1.940 -4.275 1.230) 4.853 23.994 ( -1.940 4.275 1.230) 4.853 24.256 ( -4.301 -1.708 -2.638) 5.327 24.256 ( -4.301 1.708 -2.638) 5.327 ======================= Grid point 69 (37/96) ======================= q-point: ( 0.33 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( -1.078 -0.895 -0.146) 1.409 0.879 ( -1.078 0.895 -0.146) 1.409 1.206 ( -0.040 -8.144 7.122) 10.819 1.206 ( -0.040 8.144 7.122) 10.819 1.664 ( 5.841 -7.925 3.571) 10.473 1.664 ( 5.841 7.925 3.571) 10.473 1.873 ( 2.460 -2.899 -8.568) 9.374 1.873 ( 2.460 2.899 -8.568) 9.374 2.091 ( 7.209 -3.090 -5.810) 9.761 2.091 ( 7.209 3.090 -5.810) 9.761 2.323 ( 3.989 -2.630 2.386) 5.340 2.323 ( 3.989 2.630 2.386) 5.340 2.531 ( -1.541 -5.707 6.170) 8.545 2.531 ( -1.541 5.707 6.170) 8.545 2.598 ( 1.201 -5.289 4.907) 7.315 2.598 ( 1.201 5.289 4.907) 7.315 2.735 ( -5.608 -0.491 0.493) 5.651 2.735 ( -5.608 0.491 0.493) 5.651 2.905 ( 0.760 -2.247 2.130) 3.188 2.905 ( 0.760 2.247 2.130) 3.188 3.044 ( -1.913 -2.695 -3.259) 4.641 3.044 ( -1.913 2.695 -3.259) 4.641 3.123 ( -7.263 -4.481 -0.273) 8.539 3.123 ( -7.263 4.481 -0.273) 8.539 3.386 ( -0.604 -1.621 -1.728) 2.445 3.386 ( -0.604 1.621 -1.728) 2.445 3.570 ( 1.590 -8.120 -1.206) 8.361 3.570 ( 1.590 8.120 -1.206) 8.361 3.867 ( -0.799 -6.607 0.488) 6.673 3.867 ( -0.799 6.607 0.488) 6.673 3.969 ( -3.730 -7.188 3.568) 8.850 3.969 ( -3.730 7.188 3.568) 8.850 4.158 ( -1.920 -2.038 -2.002) 3.442 4.158 ( -1.920 2.038 -2.002) 3.442 4.425 ( 1.920 -0.247 1.569) 2.492 4.425 ( 1.920 0.247 1.569) 2.492 4.627 ( 4.364 -2.368 0.117) 4.966 4.627 ( 4.364 2.368 0.117) 4.966 4.756 ( 0.763 -6.182 -1.097) 6.325 4.756 ( 0.763 6.182 -1.097) 6.325 4.815 ( 3.542 -1.813 -1.453) 4.236 4.815 ( 3.542 1.813 -1.453) 4.236 4.927 ( -1.252 -0.983 2.813) 3.232 4.927 ( -1.252 0.983 2.813) 3.232 5.209 ( -3.108 -4.515 -1.091) 5.589 5.209 ( -3.108 4.515 -1.091) 5.589 5.438 ( -0.052 -2.686 0.042) 2.687 5.438 ( -0.052 2.686 0.042) 2.687 5.611 ( -3.772 -1.112 -3.199) 5.069 5.611 ( -3.772 1.112 -3.199) 5.069 5.875 ( -1.536 -2.125 -0.656) 2.703 5.875 ( -1.536 2.125 -0.656) 2.703 6.299 ( -2.311 -4.370 -1.582) 5.190 6.299 ( -2.311 4.370 -1.582) 5.190 6.440 ( -1.942 -0.760 -0.003) 2.085 6.440 ( -1.942 0.760 -0.003) 2.085 6.815 ( 2.668 -2.324 1.036) 3.686 6.815 ( 2.668 2.324 1.036) 3.686 6.972 ( 0.995 -0.669 -0.375) 1.257 6.972 ( 0.995 0.669 -0.375) 1.257 8.539 ( 0.329 -1.731 -0.029) 1.763 8.539 ( 0.329 1.731 -0.029) 1.763 8.666 ( -2.539 -6.231 -1.685) 6.936 8.666 ( -2.539 6.231 -1.685) 6.936 9.246 ( 0.920 -0.676 -1.796) 2.129 9.246 ( 0.920 0.676 -1.796) 2.129 9.453 ( 0.492 -1.632 2.347) 2.901 9.453 ( 0.492 1.632 2.347) 2.901 9.694 ( 2.253 -1.922 5.270) 6.045 9.694 ( 2.253 1.922 5.270) 6.045 9.826 ( 0.532 -4.400 -5.016) 6.693 9.826 ( 0.532 4.400 -5.016) 6.693 10.398 ( 7.048 -2.451 0.943) 7.522 10.398 ( 7.048 2.451 0.943) 7.522 10.672 ( 6.304 -5.715 -0.469) 8.522 10.672 ( 6.304 5.715 -0.469) 8.522 11.160 ( -2.964 -2.734 -0.233) 4.039 11.160 ( -2.964 2.734 -0.233) 4.039 11.246 ( -1.222 -1.308 0.052) 1.791 11.246 ( -1.222 1.308 0.052) 1.791 12.029 ( -0.799 -0.794 0.863) 1.419 12.029 ( -0.799 0.794 0.863) 1.419 12.162 ( 0.107 -0.424 -0.867) 0.971 12.162 ( 0.107 0.424 -0.867) 0.971 20.238 ( 1.914 -0.893 -0.594) 2.194 20.238 ( 1.914 0.893 -0.594) 2.194 20.795 ( -3.654 -0.464 0.660) 3.742 20.795 ( -3.654 0.464 0.660) 3.742 21.495 ( -1.580 -1.878 3.448) 4.233 21.495 ( -1.580 1.878 3.448) 4.233 21.900 ( -0.391 -3.084 -1.736) 3.560 21.900 ( -0.391 3.084 -1.736) 3.560 22.268 ( 1.081 -0.807 -0.669) 1.506 22.268 ( 1.081 0.807 -0.669) 1.506 22.410 ( 3.745 -3.332 -0.969) 5.105 22.410 ( 3.745 3.332 -0.969) 5.105 22.811 ( -3.341 -4.614 -0.204) 5.700 22.811 ( -3.341 4.614 -0.204) 5.700 22.938 ( -1.305 -1.634 0.941) 2.293 22.938 ( -1.305 1.634 0.941) 2.293 23.182 ( 1.672 -7.172 0.468) 7.379 23.182 ( 1.672 7.172 0.468) 7.379 23.589 ( 4.250 -3.025 -0.695) 5.263 23.589 ( 4.250 3.025 -0.695) 5.263 23.959 ( -2.674 -4.896 -0.809) 5.637 23.959 ( -2.674 4.896 -0.809) 5.637 24.176 ( -3.094 -0.838 -1.039) 3.370 24.176 ( -3.094 0.838 -1.039) 3.370 ======================= Grid point 71 (38/96) ======================= q-point: (-0.56 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( 0.354 -1.904 7.695) 7.935 0.921 ( 0.354 1.904 7.695) 7.935 1.264 ( -3.290 -5.505 7.348) 9.753 1.264 ( -3.290 5.505 7.348) 9.753 1.709 ( -1.613 -1.449 -3.093) 3.777 1.709 ( -1.613 1.449 -3.093) 3.777 1.907 ( 9.180 -3.629 -0.389) 9.879 1.907 ( 9.180 3.629 -0.389) 9.879 2.125 ( 5.811 -3.704 -7.281) 10.025 2.125 ( 5.811 3.704 -7.281) 10.025 2.368 ( 1.845 -1.803 -3.140) 4.064 2.368 ( 1.845 1.803 -3.140) 4.064 2.504 ( -7.249 -3.391 1.784) 8.199 2.504 ( -7.249 3.391 1.784) 8.199 2.607 ( -0.879 -5.610 -1.261) 5.817 2.607 ( -0.879 5.610 -1.261) 5.817 2.667 ( -4.563 -6.664 0.964) 8.133 2.667 ( -4.563 6.664 0.964) 8.133 2.897 ( -3.770 -4.636 -6.105) 8.542 2.897 ( -3.770 4.636 -6.105) 8.542 2.988 ( 0.229 -3.467 -1.647) 3.845 2.988 ( 0.229 3.467 -1.647) 3.845 3.056 ( 0.555 -1.112 1.546) 1.983 3.056 ( 0.555 1.112 1.546) 1.983 3.370 ( 0.654 -1.933 -1.549) 2.562 3.370 ( 0.654 1.933 -1.549) 2.562 3.578 ( 1.053 -8.299 -0.985) 8.423 3.578 ( 1.053 8.299 -0.985) 8.423 3.852 ( -0.534 -5.718 -1.356) 5.901 3.852 ( -0.534 5.718 -1.356) 5.901 3.933 ( -3.764 -4.957 1.394) 6.378 3.933 ( -3.764 4.957 1.394) 6.378 4.144 ( 0.506 -1.304 1.079) 1.767 4.144 ( 0.506 1.304 1.079) 1.767 4.450 ( -0.443 -3.059 -0.308) 3.106 4.450 ( -0.443 3.059 -0.308) 3.106 4.668 ( 2.638 -3.902 1.037) 4.823 4.668 ( 2.638 3.902 1.037) 4.823 4.733 ( -2.422 -3.583 -0.195) 4.329 4.733 ( -2.422 3.583 -0.195) 4.329 4.887 ( 5.130 -2.324 -1.308) 5.782 4.887 ( 5.130 2.324 -1.308) 5.782 4.961 ( -0.352 -3.823 2.123) 4.387 4.961 ( -0.352 3.823 2.123) 4.387 5.136 ( -2.828 -4.968 -0.859) 5.781 5.136 ( -2.828 4.968 -0.859) 5.781 5.447 ( -0.335 -2.298 1.929) 3.019 5.447 ( -0.335 2.298 1.929) 3.019 5.559 ( 1.100 -0.363 -0.707) 1.357 5.559 ( 1.100 0.363 -0.707) 1.357 5.874 ( 0.454 -1.560 1.459) 2.184 5.874 ( 0.454 1.560 1.459) 2.184 6.260 ( -1.077 -6.904 -0.344) 6.996 6.260 ( -1.077 6.904 -0.344) 6.996 6.422 ( -0.053 -3.109 -0.535) 3.156 6.422 ( -0.053 3.109 -0.535) 3.156 6.838 ( -0.145 -2.362 -0.743) 2.480 6.838 ( -0.145 2.362 -0.743) 2.480 6.983 ( 0.780 -1.320 -0.073) 1.535 6.983 ( 0.780 1.320 -0.073) 1.535 8.557 ( 0.399 -1.249 1.872) 2.285 8.557 ( 0.399 1.249 1.872) 2.285 8.628 ( -0.115 -5.649 -1.069) 5.750 8.628 ( -0.115 5.649 -1.069) 5.750 9.244 ( 1.491 -0.612 -1.831) 2.439 9.244 ( 1.491 0.612 -1.831) 2.439 9.464 ( -1.498 -1.113 0.759) 2.015 9.464 ( -1.498 1.113 0.759) 2.015 9.712 ( -2.532 -2.011 -1.756) 3.680 9.712 ( -2.532 2.011 -1.756) 3.680 9.834 ( 3.135 -4.430 1.626) 5.665 9.834 ( 3.135 4.430 1.626) 5.665 10.484 ( 2.366 -1.234 0.190) 2.675 10.484 ( 2.366 1.234 0.190) 2.675 10.753 ( 4.036 -5.905 0.768) 7.193 10.753 ( 4.036 5.905 0.768) 7.193 11.121 ( -1.933 -2.863 0.523) 3.494 11.121 ( -1.933 2.863 0.523) 3.494 11.229 ( -0.545 -1.660 -0.321) 1.777 11.229 ( -0.545 1.660 -0.321) 1.777 12.018 ( -0.729 -0.858 -0.531) 1.245 12.018 ( -0.729 0.858 -0.531) 1.245 12.170 ( 0.562 -0.298 1.339) 1.482 12.170 ( 0.562 0.298 1.339) 1.482 20.263 ( 1.275 -0.597 0.508) 1.497 20.263 ( 1.275 0.597 0.508) 1.497 20.730 ( -2.404 -0.903 -3.389) 4.252 20.730 ( -2.404 0.903 -3.389) 4.252 21.509 ( -2.155 -1.670 3.808) 4.683 21.509 ( -2.155 1.670 3.808) 4.683 21.892 ( 0.843 -2.971 -0.103) 3.090 21.892 ( 0.843 2.971 -0.103) 3.090 22.278 ( 0.871 -0.913 -0.378) 1.318 22.278 ( 0.871 0.913 -0.378) 1.318 22.447 ( 2.133 -3.387 -0.625) 4.052 22.447 ( 2.133 3.387 -0.625) 4.052 22.763 ( -1.383 -3.915 -1.661) 4.472 22.763 ( -1.383 3.915 -1.661) 4.472 22.918 ( -1.201 -2.543 -0.785) 2.920 22.918 ( -1.201 2.543 -0.785) 2.920 23.209 ( 0.542 -6.931 0.972) 7.020 23.209 ( 0.542 6.931 0.972) 7.020 23.618 ( 1.563 -3.767 -2.565) 4.818 23.618 ( 1.563 3.767 -2.565) 4.818 23.916 ( -0.305 -4.382 -1.606) 4.677 23.916 ( -0.305 4.382 -1.606) 4.677 24.137 ( -1.163 -0.383 -0.273) 1.255 24.137 ( -1.163 0.383 -0.273) 1.255 ======================= Grid point 73 (39/96) ======================= q-point: (-0.44 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( 0.121 -1.497 10.370) 10.478 1.038 ( 0.121 1.497 10.370) 10.478 1.271 ( -5.908 -1.170 6.472) 8.841 1.271 ( -5.908 1.170 6.472) 8.841 1.619 ( -3.392 -7.616 -4.726) 9.583 1.619 ( -3.392 7.616 -4.726) 9.583 2.019 ( 2.734 -2.833 -1.461) 4.199 2.019 ( 2.734 2.833 -1.461) 4.199 2.090 ( 1.127 -4.198 -6.334) 7.682 2.090 ( 1.127 4.198 -6.334) 7.682 2.266 ( -4.846 -3.672 -9.791) 11.525 2.266 ( -4.846 3.672 -9.791) 11.525 2.441 ( -1.525 -2.825 -0.679) 3.282 2.441 ( -1.525 2.825 -0.679) 3.282 2.543 ( -4.689 -4.505 -0.905) 6.565 2.543 ( -4.689 4.505 -0.905) 6.565 2.643 ( 3.897 -5.674 -4.702) 8.337 2.643 ( 3.897 5.674 -4.702) 8.337 2.751 ( -5.643 -4.562 -2.187) 7.578 2.751 ( -5.643 4.562 -2.187) 7.578 2.982 ( 2.931 -3.397 -3.244) 5.537 2.982 ( 2.931 3.397 -3.244) 5.537 3.112 ( 1.609 -3.566 2.020) 4.403 3.112 ( 1.609 3.566 2.020) 4.403 3.362 ( 1.699 -1.908 -3.408) 4.259 3.362 ( 1.699 1.908 -3.408) 4.259 3.580 ( 0.541 -5.677 -0.148) 5.704 3.580 ( 0.541 5.677 -0.148) 5.704 3.815 ( 0.026 -8.751 -3.763) 9.526 3.815 ( 0.026 8.751 -3.763) 9.526 3.924 ( -1.473 -8.937 3.966) 9.888 3.924 ( -1.473 8.937 3.966) 9.888 4.186 ( 1.961 -1.448 2.760) 3.683 4.186 ( 1.961 1.448 2.760) 3.683 4.429 ( -0.654 -6.399 -0.229) 6.437 4.429 ( -0.654 6.399 -0.229) 6.437 4.668 ( -4.040 -2.216 -2.477) 5.231 4.668 ( -4.040 2.216 -2.477) 5.231 4.742 ( 2.790 -3.276 2.047) 4.765 4.742 ( 2.790 3.276 2.047) 4.765 4.880 ( -1.677 -0.186 -1.630) 2.346 4.880 ( -1.677 0.186 -1.630) 2.346 4.963 ( -2.090 -3.232 2.582) 4.635 4.963 ( -2.090 3.232 2.582) 4.635 5.159 ( 5.260 -5.051 0.793) 7.335 5.159 ( 5.260 5.051 0.793) 7.335 5.465 ( -1.048 -1.757 1.539) 2.560 5.465 ( -1.048 1.757 1.539) 2.560 5.608 ( 4.312 -1.421 0.314) 4.551 5.608 ( 4.312 1.421 0.314) 4.551 5.920 ( 1.592 -0.884 4.115) 4.500 5.920 ( 1.592 0.884 4.115) 4.500 6.255 ( 1.398 -4.792 -1.366) 5.175 6.255 ( 1.398 4.792 -1.366) 5.175 6.425 ( 1.076 -2.474 -0.343) 2.720 6.425 ( 1.076 2.474 -0.343) 2.720 6.800 ( -2.368 -2.543 -1.890) 3.956 6.800 ( -2.368 2.543 -1.890) 3.956 6.992 ( 0.495 -1.408 -0.229) 1.510 6.992 ( 0.495 1.408 -0.229) 1.510 8.583 ( 0.558 -1.865 1.582) 2.509 8.583 ( 0.558 1.865 1.582) 2.509 8.644 ( 1.944 -3.782 0.955) 4.358 8.644 ( 1.944 3.782 0.955) 4.358 9.250 ( 1.686 -1.229 -1.159) 2.387 9.250 ( 1.686 1.229 -1.159) 2.387 9.414 ( -3.400 -2.986 -3.204) 5.545 9.414 ( -3.400 2.986 -3.204) 5.545 9.648 ( -3.523 -1.111 0.027) 3.694 9.648 ( -3.523 1.111 0.027) 3.694 9.904 ( 3.072 -4.946 1.745) 6.079 9.904 ( 3.072 4.946 1.745) 6.079 10.471 ( -3.303 -1.049 -0.240) 3.474 10.471 ( -3.303 1.049 -0.240) 3.474 10.790 ( -2.458 -5.119 2.191) 6.087 10.790 ( -2.458 5.119 2.191) 6.087 11.123 ( 1.565 -4.289 0.501) 4.593 11.123 ( 1.565 4.289 0.501) 4.593 11.224 ( 0.545 -2.166 -0.632) 2.321 11.224 ( 0.545 2.166 -0.632) 2.321 11.996 ( -0.755 -1.182 -1.361) 1.954 11.996 ( -0.755 1.182 -1.361) 1.954 12.211 ( 1.402 -0.341 3.262) 3.567 12.211 ( 1.402 0.341 3.262) 3.567 20.282 ( -0.207 -0.731 1.081) 1.322 20.282 ( -0.207 0.731 1.081) 1.322 20.655 ( 0.123 -1.187 -6.397) 6.508 20.655 ( 0.123 1.187 -6.397) 6.508 21.514 ( -2.756 -0.993 3.830) 4.822 21.514 ( -2.756 0.993 3.830) 4.822 21.925 ( 2.323 -3.685 1.499) 4.607 21.925 ( 2.323 3.685 1.499) 4.607 22.283 ( 0.150 -0.570 -0.288) 0.656 22.283 ( 0.150 0.570 -0.288) 0.656 22.463 ( 0.050 -3.988 0.694) 4.048 22.463 ( 0.050 3.988 0.694) 4.048 22.727 ( 0.303 -3.518 -3.612) 5.051 22.727 ( 0.303 3.518 -3.612) 5.051 22.888 ( -0.488 -3.438 -2.183) 4.102 22.888 ( -0.488 3.438 -2.183) 4.102 23.213 ( -1.359 -4.328 0.814) 4.608 23.213 ( -1.359 4.328 0.814) 4.608 23.589 ( -0.493 -4.544 -2.845) 5.384 23.589 ( -0.493 4.544 -2.845) 5.384 23.914 ( 1.919 -2.947 -1.781) 3.942 23.914 ( 1.919 2.947 -1.781) 3.942 24.135 ( 1.876 -1.301 -0.646) 2.373 24.135 ( 1.876 1.301 -0.646) 2.373 ======================= Grid point 75 (40/96) ======================= q-point: (-0.33 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( -6.765 -6.308 3.427) 9.864 1.081 ( -6.765 6.308 3.427) 9.864 1.233 ( -6.623 -9.183 1.070) 11.372 1.233 ( -6.623 9.183 1.070) 11.372 1.536 ( -0.760 -7.763 -0.347) 7.808 1.536 ( -0.760 7.763 -0.347) 7.808 1.917 ( -6.381 -7.842 -9.923) 14.166 1.917 ( -6.381 7.842 -9.923) 14.166 1.973 ( -3.170 -4.441 -7.475) 9.254 1.973 ( -3.170 4.441 -7.475) 9.254 2.156 ( -3.244 -3.517 -0.165) 4.788 2.156 ( -3.244 3.517 -0.165) 4.788 2.394 ( 1.142 -1.361 -5.714) 5.984 2.394 ( 1.142 1.361 -5.714) 5.984 2.454 ( -4.726 -9.330 -1.294) 10.538 2.454 ( -4.726 9.330 -1.294) 10.538 2.654 ( 0.297 -1.682 0.224) 1.723 2.654 ( 0.297 1.682 0.224) 1.723 2.743 ( 2.989 -2.932 2.461) 4.857 2.743 ( 2.989 2.932 2.461) 4.857 2.994 ( 4.684 -3.961 -5.049) 7.945 2.994 ( 4.684 3.961 -5.049) 7.945 3.149 ( 1.740 -1.377 0.696) 2.326 3.149 ( 1.740 1.377 0.696) 2.326 3.336 ( 1.298 -3.250 -4.933) 6.048 3.336 ( 1.298 3.250 -4.933) 6.048 3.613 ( 2.296 -7.478 2.661) 8.263 3.613 ( 2.296 7.478 2.661) 8.263 3.788 ( 0.764 -6.282 -1.578) 6.522 3.788 ( 0.764 6.282 -1.578) 6.522 3.954 ( -0.067 -5.227 2.520) 5.803 3.954 ( -0.067 5.227 2.520) 5.803 4.263 ( 2.855 -1.779 3.911) 5.159 4.263 ( 2.855 1.779 3.911) 5.159 4.430 ( 0.202 -7.491 -0.319) 7.500 4.430 ( 0.202 7.491 -0.319) 7.500 4.565 ( -5.005 -0.424 -1.416) 5.219 4.565 ( -5.005 0.424 -1.416) 5.219 4.759 ( -0.889 -4.953 -0.492) 5.056 4.759 ( -0.889 4.953 -0.492) 5.056 4.870 ( 0.706 -2.020 -0.283) 2.159 4.870 ( 0.706 2.020 -0.283) 2.159 4.996 ( 2.281 -4.206 4.031) 6.256 4.996 ( 2.281 4.206 4.031) 6.256 5.247 ( 2.190 -4.476 1.334) 5.158 5.247 ( 2.190 4.476 1.334) 5.158 5.432 ( -1.540 -1.333 -2.219) 3.013 5.432 ( -1.540 1.333 -2.219) 3.013 5.674 ( 3.828 -4.484 -0.307) 5.904 5.674 ( 3.828 4.484 -0.307) 5.904 6.016 ( 3.857 -1.378 5.009) 6.470 6.016 ( 3.857 1.378 5.009) 6.470 6.263 ( 1.882 -3.492 -1.658) 4.299 6.263 ( 1.882 3.492 -1.658) 4.299 6.444 ( 1.949 -4.505 -0.833) 4.979 6.444 ( 1.949 4.505 -0.833) 4.979 6.734 ( -3.081 -1.201 -1.896) 3.812 6.734 ( -3.081 1.201 -1.896) 3.812 6.985 ( -0.443 -1.437 -1.427) 2.073 6.985 ( -0.443 1.437 -1.427) 2.073 8.621 ( 2.169 -3.531 1.606) 4.445 8.621 ( 2.169 3.531 1.606) 4.445 8.688 ( 1.870 -2.452 0.789) 3.183 8.688 ( 1.870 2.452 0.789) 3.183 9.269 ( 1.236 -1.823 -0.522) 2.264 9.269 ( 1.236 1.823 -0.522) 2.264 9.299 ( -4.277 -4.461 -4.680) 7.752 9.299 ( -4.277 4.461 -4.680) 7.752 9.610 ( -3.113 -2.135 1.995) 4.270 9.610 ( -3.113 2.135 1.995) 4.270 9.966 ( 2.797 -4.637 1.080) 5.522 9.966 ( 2.797 4.637 1.080) 5.522 10.402 ( -5.858 -0.210 1.241) 5.992 10.402 ( -5.858 0.210 1.241) 5.992 10.718 ( -9.527 -2.463 1.559) 9.963 10.718 ( -9.527 2.463 1.559) 9.963 11.161 ( 2.575 -4.172 -0.731) 4.957 11.161 ( 2.575 4.172 -0.731) 4.957 11.229 ( 0.967 -1.686 -0.499) 2.007 11.229 ( 0.967 1.686 -0.499) 2.007 11.966 ( -0.784 -1.683 -1.489) 2.380 11.966 ( -0.784 1.683 -1.489) 2.380 12.290 ( 2.943 -0.852 4.686) 5.599 12.290 ( 2.943 0.852 4.686) 5.599 20.278 ( -1.543 -0.928 0.543) 1.881 20.278 ( -1.543 0.928 0.543) 1.881 20.595 ( 2.114 -1.915 -6.916) 7.481 20.595 ( 2.114 1.915 -6.916) 7.481 21.513 ( -3.127 -0.346 3.833) 4.959 21.513 ( -3.127 0.346 3.833) 4.959 21.992 ( 3.126 -4.189 2.586) 5.831 21.992 ( 3.126 4.189 2.586) 5.831 22.270 ( -0.767 -1.042 -1.332) 1.857 22.270 ( -0.767 1.042 -1.332) 1.857 22.471 ( -1.997 -2.906 3.279) 4.815 22.471 ( -1.997 2.906 3.279) 4.815 22.687 ( 1.856 -2.965 -6.026) 6.967 22.687 ( 1.856 2.965 -6.026) 6.967 22.850 ( -0.499 -3.471 -3.331) 4.837 22.850 ( -0.499 3.471 -3.331) 4.837 23.195 ( -1.737 -0.848 0.820) 2.100 23.195 ( -1.737 0.848 0.820) 2.100 23.553 ( -1.272 -4.999 -1.105) 5.276 23.553 ( -1.272 4.999 -1.105) 5.276 23.920 ( 1.997 -1.833 -2.545) 3.718 23.920 ( 1.997 1.833 -2.545) 3.718 24.183 ( 5.512 -3.491 -1.138) 6.624 24.183 ( 5.512 3.491 -1.138) 6.624 ======================= Grid point 77 (41/96) ======================= q-point: (-0.22 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( -8.387 -8.342 -4.301) 12.587 0.944 ( -8.387 8.342 -4.301) 12.587 1.073 ( -8.268 -13.118 -3.270) 15.847 1.073 ( -8.268 13.118 -3.270) 15.847 1.564 ( -1.762 -6.723 0.250) 6.955 1.564 ( -1.762 6.723 0.250) 6.955 1.713 ( -7.445 -11.776 -1.260) 13.989 1.713 ( -7.445 11.776 -1.260) 13.989 1.919 ( 2.246 -4.697 0.241) 5.212 1.919 ( 2.246 4.697 0.241) 5.212 2.084 ( -2.504 -1.119 -4.183) 5.002 2.084 ( -2.504 1.119 -4.183) 5.002 2.340 ( -1.238 -2.691 -2.284) 3.740 2.340 ( -1.238 2.691 -2.284) 3.740 2.429 ( 0.437 -6.681 0.583) 6.721 2.429 ( 0.437 6.681 0.583) 6.721 2.641 ( -2.101 -3.690 0.433) 4.268 2.641 ( -2.101 3.690 0.433) 4.268 2.825 ( 2.170 -2.315 3.117) 4.448 2.825 ( 2.170 2.315 3.117) 4.448 2.986 ( 0.379 -0.611 -4.045) 4.109 2.986 ( 0.379 0.611 -4.045) 4.109 3.218 ( 7.937 -3.759 -0.420) 8.792 3.218 ( 7.937 3.759 -0.420) 8.792 3.312 ( 1.421 -3.327 -2.142) 4.204 3.312 ( 1.421 3.327 -2.142) 4.204 3.692 ( 3.755 -8.702 1.313) 9.569 3.692 ( 3.755 8.702 1.313) 9.569 3.799 ( -0.995 -6.984 3.188) 7.741 3.799 ( -0.995 6.984 3.188) 7.741 3.973 ( 1.520 -3.884 -0.566) 4.209 3.973 ( 1.520 3.884 -0.566) 4.209 4.341 ( 0.880 -1.551 2.289) 2.902 4.341 ( 0.880 1.551 2.289) 2.902 4.393 ( -1.241 -2.673 -2.290) 3.733 4.393 ( -1.241 2.673 -2.290) 3.733 4.519 ( -3.259 -3.546 2.770) 5.556 4.519 ( -3.259 3.546 2.770) 5.556 4.754 ( 2.442 -6.514 -1.709) 7.163 4.754 ( 2.442 6.514 -1.709) 7.163 4.870 ( -0.083 -4.327 -0.123) 4.330 4.870 ( -0.083 4.327 -0.123) 4.330 5.093 ( 4.035 -5.102 1.474) 6.669 5.093 ( 4.035 5.102 1.474) 6.669 5.218 ( -3.512 -3.515 -0.624) 5.008 5.218 ( -3.512 3.515 -0.624) 5.008 5.423 ( 2.417 -3.398 -1.440) 4.412 5.423 ( 2.417 3.398 -1.440) 4.412 5.712 ( 2.468 -5.436 -1.553) 6.169 5.712 ( 2.468 5.436 -1.553) 6.169 6.132 ( 4.603 -2.678 2.127) 5.734 6.132 ( 4.603 2.678 2.127) 5.734 6.291 ( 2.152 -5.209 3.075) 6.420 6.291 ( 2.152 5.209 3.075) 6.420 6.449 ( 1.653 -6.049 -3.611) 7.236 6.449 ( 1.653 6.049 -3.611) 7.236 6.669 ( -2.851 -1.166 -1.475) 3.415 6.669 ( -2.851 1.166 -1.475) 3.415 6.945 ( -1.787 -1.410 -2.454) 3.347 6.945 ( -1.787 1.410 -2.454) 3.347 8.686 ( 4.329 -4.535 0.789) 6.319 8.686 ( 4.329 4.535 0.789) 6.319 8.710 ( 0.824 -2.145 -0.447) 2.341 8.710 ( 0.824 2.145 -0.447) 2.341 9.166 ( -4.022 -4.863 -4.551) 7.780 9.166 ( -4.022 4.863 -4.551) 7.780 9.304 ( 0.428 -1.698 2.133) 2.760 9.304 ( 0.428 1.698 2.133) 2.760 9.599 ( -0.950 -2.818 1.673) 3.412 9.599 ( -0.950 2.818 1.673) 3.412 10.007 ( 1.269 -3.843 0.104) 4.049 10.007 ( 1.269 3.843 0.104) 4.049 10.333 ( -7.007 -2.944 4.120) 8.645 10.333 ( -7.007 2.944 4.120) 8.645 10.543 ( -13.289 -4.046 -0.941) 13.923 10.543 ( -13.289 4.046 -0.941) 13.923 11.175 ( 1.579 -2.100 -1.881) 3.231 11.175 ( 1.579 2.100 -1.881) 3.231 11.241 ( 0.505 -1.522 0.202) 1.616 11.241 ( 0.505 1.522 0.202) 1.616 11.943 ( -0.423 -2.350 -0.697) 2.487 11.943 ( -0.423 2.350 -0.697) 2.487 12.395 ( 3.900 -3.072 3.480) 6.063 12.395 ( 3.900 3.072 3.480) 6.063 20.252 ( -1.732 -0.471 -0.258) 1.813 20.252 ( -1.732 0.471 -0.258) 1.813 20.565 ( 2.449 -4.225 -4.138) 6.401 20.565 ( 2.449 4.225 -4.138) 6.401 21.505 ( -3.626 -0.529 3.871) 5.330 21.505 ( -3.626 0.529 3.871) 5.330 22.072 ( 3.184 -3.514 2.729) 5.471 22.072 ( 3.184 3.514 2.729) 5.471 22.227 ( -1.676 -2.582 -2.712) 4.102 22.227 ( -1.676 2.582 -2.712) 4.102 22.456 ( -3.946 -1.301 0.978) 4.269 22.456 ( -3.946 1.301 0.978) 4.269 22.673 ( 3.879 -2.885 -2.897) 5.636 22.673 ( 3.879 2.885 -2.897) 5.636 22.804 ( -0.328 -2.377 -2.958) 3.809 22.804 ( -0.328 2.377 -2.958) 3.809 23.188 ( -0.667 -1.515 1.117) 1.997 23.188 ( -0.667 1.515 1.117) 1.997 23.518 ( -2.436 -4.530 -0.435) 5.162 23.518 ( -2.436 4.530 -0.435) 5.162 23.926 ( 2.607 -0.772 -2.288) 3.554 23.926 ( 2.607 0.772 -2.288) 3.554 24.269 ( 7.403 -4.185 -1.687) 8.670 24.269 ( 7.403 4.185 -1.687) 8.670 ======================= Grid point 79 (42/96) ======================= q-point: (-0.11 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( -1.874 -14.762 5.102) 15.731 0.847 ( -1.874 14.762 5.102) 15.731 0.978 ( -2.897 -17.456 2.190) 17.829 0.978 ( -2.897 17.456 2.190) 17.829 1.452 ( -7.278 -23.530 0.321) 24.632 1.452 ( -7.278 23.530 0.321) 24.632 1.703 ( -0.352 -2.471 3.606) 4.386 1.703 ( -0.352 2.471 3.606) 4.386 1.934 ( -0.546 -5.637 -3.526) 6.672 1.934 ( -0.546 5.637 -3.526) 6.672 2.073 ( 3.594 -1.700 1.685) 4.318 2.073 ( 3.594 1.700 1.685) 4.318 2.293 ( -2.580 -2.854 -0.835) 3.937 2.293 ( -2.580 2.854 -0.835) 3.937 2.451 ( 1.223 -5.708 0.526) 5.861 2.451 ( 1.223 5.708 0.526) 5.861 2.621 ( -0.382 -2.906 0.507) 2.975 2.621 ( -0.382 2.906 0.507) 2.975 2.860 ( -2.360 -0.537 2.209) 3.277 2.860 ( -2.360 0.537 2.209) 3.277 2.958 ( 0.932 -2.581 0.625) 2.814 2.958 ( 0.932 2.581 0.625) 2.814 3.294 ( 2.505 -2.798 -1.886) 4.203 3.294 ( 2.505 2.798 -1.886) 4.203 3.385 ( 7.040 -5.267 2.131) 9.047 3.385 ( 7.040 5.267 2.131) 9.047 3.723 ( 0.202 -9.696 -2.369) 9.983 3.723 ( 0.202 9.696 -2.369) 9.983 3.806 ( -2.013 -8.656 2.410) 9.207 3.806 ( -2.013 8.656 2.410) 9.207 4.011 ( 2.743 -2.399 1.303) 3.870 4.011 ( 2.743 2.399 1.303) 3.870 4.308 ( -1.746 -1.303 -1.585) 2.694 4.308 ( -1.746 1.303 -1.585) 2.694 4.392 ( -0.333 -0.844 -0.465) 1.020 4.392 ( -0.333 0.844 -0.465) 1.020 4.497 ( -3.237 -5.921 2.417) 7.168 4.497 ( -3.237 5.921 2.417) 7.168 4.762 ( 1.203 -6.059 -3.117) 6.919 4.762 ( 1.203 6.059 -3.117) 6.919 4.886 ( 2.992 -3.760 -1.464) 5.023 4.886 ( 2.992 3.760 -1.464) 5.023 5.089 ( -1.166 -0.569 -1.733) 2.164 5.089 ( -1.166 0.569 -1.733) 2.164 5.236 ( 3.120 -5.269 0.486) 6.143 5.236 ( 3.120 5.269 0.486) 6.143 5.442 ( 1.429 -2.355 -0.600) 2.819 5.442 ( 1.429 2.355 -0.600) 2.819 5.717 ( 1.446 -2.106 -2.241) 3.398 5.717 ( 1.446 2.106 -2.241) 3.398 6.173 ( 0.920 -1.441 -1.261) 2.124 6.173 ( 0.920 1.441 -1.261) 2.124 6.375 ( 0.640 -0.621 -1.101) 1.416 6.375 ( 0.640 0.621 -1.101) 1.416 6.459 ( 5.987 -2.151 1.356) 6.504 6.459 ( 5.987 2.151 1.356) 6.504 6.621 ( -2.340 -3.345 1.817) 4.468 6.621 ( -2.340 3.345 1.817) 4.468 6.889 ( -1.743 -1.901 -1.668) 3.072 6.889 ( -1.743 1.901 -1.668) 3.072 8.692 ( 0.657 -0.874 -4.193) 4.333 8.692 ( 0.657 0.874 -4.193) 4.333 8.771 ( 4.461 -3.093 1.046) 5.528 8.771 ( 4.461 3.093 1.046) 5.528 9.088 ( -1.493 -4.881 -0.906) 5.185 9.088 ( -1.493 4.881 -0.906) 5.185 9.328 ( -1.192 -1.146 2.835) 3.282 9.328 ( -1.192 1.146 2.835) 3.282 9.620 ( 2.299 -4.139 -0.118) 4.736 9.620 ( 2.299 4.139 -0.118) 4.736 9.983 ( -4.569 -2.754 -1.421) 5.521 9.983 ( -4.569 2.754 -1.421) 5.521 10.254 ( -12.044 -5.046 5.442) 14.147 10.254 ( -12.044 5.046 5.442) 14.147 10.364 ( -3.450 -3.583 -1.676) 5.249 10.364 ( -3.450 3.583 -1.676) 5.249 11.183 ( 1.684 -1.107 -0.792) 2.165 11.183 ( 1.684 1.107 -0.792) 2.165 11.247 ( -0.258 -1.281 0.711) 1.488 11.247 ( -0.258 1.281 0.711) 1.488 11.940 ( 0.034 -2.720 0.606) 2.787 11.940 ( 0.034 2.720 0.606) 2.787 12.454 ( 1.826 -5.310 -2.215) 6.036 12.454 ( 1.826 5.310 -2.215) 6.036 20.229 ( -0.903 -0.092 -0.043) 0.909 20.229 ( -0.903 0.092 -0.043) 0.909 20.588 ( 2.542 -6.104 1.862) 6.869 20.588 ( 2.542 6.104 1.862) 6.869 21.490 ( -3.932 -0.664 3.679) 5.426 21.490 ( -3.932 0.664 3.679) 5.426 22.124 ( 0.504 -0.370 -1.724) 1.834 22.124 ( 0.504 0.370 -1.724) 1.834 22.183 ( 0.303 -2.911 -0.163) 2.932 22.183 ( 0.303 2.911 -0.163) 2.932 22.390 ( -2.252 -3.559 -2.438) 4.867 22.390 ( -2.252 3.559 -2.438) 4.867 22.716 ( 2.172 -3.369 0.301) 4.020 22.716 ( 2.172 3.369 0.301) 4.020 22.803 ( 1.653 -2.755 2.298) 3.950 22.803 ( 1.653 2.755 2.298) 3.950 23.195 ( -0.018 -1.176 0.654) 1.346 23.195 ( -0.018 1.176 0.654) 1.346 23.467 ( -2.445 -3.811 -1.590) 4.799 23.467 ( -2.445 3.811 -1.590) 4.799 23.949 ( 2.497 -1.218 -0.742) 2.876 23.949 ( 2.497 1.218 -0.742) 2.876 24.358 ( 6.548 -3.056 -2.305) 7.585 24.358 ( 6.548 3.056 -2.305) 7.585 ======================= Grid point 90 (43/96) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.679 ( -5.831 0.000 16.514) 17.513 0.788 ( 2.611 0.000 19.439) 19.614 1.003 ( 10.258 0.000 13.931) 17.300 1.401 ( 0.497 0.000 -9.601) 9.614 1.534 ( -5.541 0.000 -6.244) 8.348 1.631 ( -0.003 0.000 3.020) 3.020 1.839 ( -6.432 0.000 5.806) 8.665 1.860 ( 2.427 0.000 -10.319) 10.600 1.995 ( 5.827 0.000 6.593) 8.799 2.107 ( 1.678 0.000 5.758) 5.998 2.126 ( -4.628 0.000 4.371) 6.366 2.146 ( -2.752 0.000 -1.962) 3.379 2.271 ( 1.181 0.000 -1.596) 1.986 2.334 ( 2.107 0.000 3.242) 3.866 2.407 ( 5.014 0.000 14.095) 14.960 2.545 ( -4.423 0.000 -5.965) 7.426 2.671 ( 2.092 0.000 -1.458) 2.550 2.712 ( 1.927 0.000 0.604) 2.019 2.910 ( -3.253 0.000 -1.453) 3.563 2.932 ( -0.622 0.000 5.917) 5.949 3.017 ( -0.475 0.000 5.723) 5.743 3.067 ( 6.594 0.000 1.794) 6.834 3.193 ( 1.860 0.000 2.388) 3.027 3.374 ( -1.490 0.000 5.444) 5.644 3.467 ( -2.711 0.000 2.272) 3.537 3.570 ( -2.046 0.000 -5.349) 5.727 3.607 ( 3.189 0.000 2.901) 4.311 3.675 ( 2.219 0.000 -0.489) 2.272 3.828 ( -4.755 0.000 0.726) 4.810 3.851 ( 2.977 0.000 2.512) 3.895 4.031 ( 2.510 0.000 -1.800) 3.089 4.114 ( -4.046 0.000 -3.294) 5.217 4.149 ( 0.876 0.000 0.764) 1.162 4.213 ( 3.538 0.000 3.388) 4.898 4.238 ( -2.001 0.000 2.880) 3.506 4.423 ( 0.272 0.000 0.952) 0.990 4.460 ( -0.179 0.000 2.962) 2.968 4.513 ( -0.737 0.000 2.423) 2.533 4.590 ( 0.566 0.000 -0.828) 1.003 4.747 ( -1.864 0.000 -7.953) 8.169 4.750 ( -1.472 0.000 1.858) 2.370 4.880 ( -0.295 0.000 -3.833) 3.844 5.020 ( 0.918 0.000 -2.132) 2.322 5.112 ( -4.285 0.000 -0.125) 4.286 5.212 ( -7.391 0.000 0.344) 7.399 5.248 ( 6.538 0.000 3.005) 7.196 5.406 ( 0.884 0.000 -1.598) 1.826 5.454 ( 4.847 0.000 -2.314) 5.371 5.587 ( 2.061 0.000 1.040) 2.309 5.807 ( 2.521 0.000 -6.193) 6.687 6.067 ( -2.906 0.000 -2.477) 3.818 6.117 ( 0.009 0.000 -4.240) 4.240 6.214 ( -2.003 0.000 0.599) 2.090 6.414 ( -1.145 0.000 -2.154) 2.439 6.505 ( -2.073 0.000 -0.196) 2.082 6.605 ( 4.558 0.000 -3.542) 5.772 6.717 ( 0.409 0.000 4.671) 4.689 6.757 ( 2.805 0.000 -1.569) 3.214 6.872 ( 6.212 0.000 -1.877) 6.490 6.957 ( 0.187 0.000 2.677) 2.684 8.500 ( -0.109 0.000 -4.147) 4.148 8.515 ( -0.389 0.000 -0.058) 0.393 8.616 ( -1.090 0.000 -1.745) 2.058 8.785 ( 3.697 0.000 -1.716) 4.076 9.209 ( 4.126 0.000 3.145) 5.188 9.297 ( 6.699 0.000 2.380) 7.110 9.304 ( -3.742 0.000 0.218) 3.748 9.345 ( -4.324 0.000 1.629) 4.621 9.497 ( -1.851 0.000 3.547) 4.001 9.724 ( -2.700 0.000 -0.111) 2.702 9.775 ( -3.337 0.000 -3.968) 5.185 9.904 ( 0.893 0.000 -3.289) 3.408 10.207 ( -6.672 0.000 4.087) 7.825 10.273 ( 8.043 0.000 2.187) 8.335 10.394 ( -9.517 0.000 0.005) 9.517 10.440 ( -0.436 0.000 -0.506) 0.668 11.199 ( 0.105 0.000 0.106) 0.149 11.211 ( 1.028 0.000 -0.352) 1.087 11.294 ( 0.346 0.000 0.033) 0.347 11.344 ( 1.759 0.000 -2.007) 2.669 11.991 ( 2.278 0.000 4.196) 4.775 12.094 ( -0.579 0.000 0.622) 0.850 12.105 ( -3.987 0.000 -1.305) 4.195 12.157 ( 0.544 0.000 -1.942) 2.016 20.177 ( -0.897 0.000 -1.871) 2.074 20.195 ( 0.639 0.000 -2.275) 2.363 20.876 ( 0.828 0.000 3.606) 3.700 20.963 ( 6.198 0.000 0.715) 6.239 21.548 ( -3.092 0.000 4.380) 5.361 21.754 ( -16.562 0.000 2.207) 16.709 21.881 ( 0.839 0.000 -5.518) 5.581 21.988 ( 4.164 0.000 -5.367) 6.793 22.208 ( -0.095 0.000 0.455) 0.464 22.236 ( 0.073 0.000 -0.392) 0.398 22.311 ( 4.303 0.000 0.628) 4.348 22.453 ( -2.348 0.000 -3.900) 4.552 22.623 ( 0.697 0.000 4.278) 4.335 22.818 ( 6.135 0.000 0.004) 6.135 22.960 ( -0.036 0.000 2.356) 2.357 22.970 ( -3.458 0.000 -1.006) 3.601 23.116 ( 0.567 0.000 6.351) 6.377 23.309 ( 3.812 0.000 2.163) 4.383 23.315 ( -4.048 0.000 2.334) 4.673 23.631 ( 7.991 0.000 -7.025) 10.640 23.836 ( -1.935 0.000 2.194) 2.925 23.972 ( 12.360 0.000 -0.543) 12.371 24.183 ( 1.847 0.000 2.885) 3.425 24.396 ( -0.760 0.000 -2.131) 2.263 ======================= Grid point 91 (44/96) ======================= q-point: ( 0.11 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.798 ( -2.285 0.000 13.847) 14.034 1.073 ( 6.292 0.000 16.689) 17.836 1.293 ( 12.417 0.000 6.727) 14.122 1.303 ( -2.816 0.000 -7.951) 8.435 1.386 ( -0.481 0.000 -7.135) 7.151 1.622 ( 0.247 0.000 -4.333) 4.340 1.770 ( -3.547 0.000 -1.623) 3.900 1.831 ( 3.916 0.000 -2.295) 4.538 2.050 ( -3.008 0.000 -3.511) 4.623 2.122 ( -4.380 0.000 4.683) 6.412 2.127 ( 5.125 0.000 -1.481) 5.335 2.202 ( 1.345 0.000 9.596) 9.690 2.321 ( 2.629 0.000 3.363) 4.268 2.376 ( 1.945 0.000 -1.579) 2.505 2.414 ( -3.900 0.000 -2.811) 4.807 2.538 ( -3.081 0.000 1.853) 3.596 2.734 ( 6.360 0.000 6.227) 8.901 2.755 ( 3.151 0.000 -1.029) 3.315 2.891 ( -0.150 0.000 -0.553) 0.573 3.002 ( 0.272 0.000 4.960) 4.967 3.038 ( -4.191 0.000 3.950) 5.759 3.220 ( 5.030 0.000 7.046) 8.657 3.272 ( 2.889 0.000 5.772) 6.455 3.337 ( -5.365 0.000 -2.840) 6.070 3.424 ( -1.637 0.000 -1.631) 2.311 3.453 ( -5.157 0.000 -5.098) 7.252 3.655 ( -2.786 0.000 -2.514) 3.753 3.656 ( -3.392 0.000 4.396) 5.553 3.786 ( -4.631 0.000 3.148) 5.599 3.893 ( 0.768 0.000 2.219) 2.348 4.029 ( 1.720 0.000 -1.553) 2.317 4.047 ( -2.620 0.000 -2.463) 3.596 4.227 ( -0.610 0.000 -0.293) 0.676 4.242 ( 4.028 0.000 6.763) 7.871 4.322 ( 3.853 0.000 4.394) 5.844 4.407 ( -3.079 0.000 -2.355) 3.876 4.457 ( 2.627 0.000 1.135) 2.862 4.539 ( 0.253 0.000 -1.831) 1.848 4.585 ( 1.888 0.000 -2.617) 3.227 4.680 ( 3.015 0.000 -4.377) 5.315 4.801 ( 2.145 0.000 3.680) 4.260 4.823 ( -0.797 0.000 -3.703) 3.788 5.027 ( -4.372 0.000 -1.450) 4.607 5.078 ( 3.799 0.000 4.287) 5.728 5.104 ( -7.720 0.000 1.969) 7.967 5.346 ( 3.490 0.000 0.306) 3.503 5.374 ( -1.183 0.000 -3.284) 3.490 5.484 ( 2.771 0.000 -2.940) 4.040 5.625 ( -0.235 0.000 1.273) 1.295 5.734 ( -3.029 0.000 -5.561) 6.333 5.977 ( -5.892 0.000 -1.361) 6.047 6.040 ( -5.015 0.000 -1.815) 5.334 6.235 ( 3.018 0.000 4.123) 5.109 6.332 ( -3.593 0.000 -4.860) 6.044 6.500 ( 1.751 0.000 -0.847) 1.945 6.620 ( 3.797 0.000 -5.087) 6.348 6.739 ( -1.087 0.000 -3.045) 3.233 6.796 ( 4.122 0.000 -1.248) 4.307 6.873 ( -2.145 0.000 3.638) 4.224 6.984 ( -0.480 0.000 1.182) 1.276 8.465 ( 0.362 0.000 -2.128) 2.158 8.485 ( -0.513 0.000 -2.939) 2.983 8.602 ( -1.741 0.000 2.123) 2.745 8.804 ( 2.042 0.000 -3.372) 3.942 9.242 ( -2.752 0.000 -1.495) 3.132 9.290 ( 3.483 0.000 2.758) 4.443 9.293 ( -2.829 0.000 -0.370) 2.853 9.480 ( 10.715 0.000 3.170) 11.175 9.520 ( -1.681 0.000 5.078) 5.349 9.706 ( -1.264 0.000 2.069) 2.424 9.731 ( 1.725 0.000 -3.902) 4.266 9.887 ( 2.708 0.000 -4.401) 5.167 10.159 ( -2.808 0.000 2.198) 3.566 10.370 ( 0.828 0.000 3.044) 3.155 10.427 ( 2.911 0.000 1.439) 3.247 10.475 ( 10.667 0.000 0.400) 10.675 11.187 ( -1.739 0.000 -0.121) 1.743 11.213 ( -0.091 0.000 -0.629) 0.636 11.300 ( 0.116 0.000 0.054) 0.127 11.322 ( -0.580 0.000 -2.493) 2.559 12.052 ( -2.456 0.000 1.153) 2.713 12.070 ( 2.085 0.000 2.368) 3.155 12.081 ( -1.242 0.000 -0.384) 1.300 12.147 ( 0.772 0.000 -1.415) 1.612 20.154 ( 0.384 0.000 -1.198) 1.258 20.191 ( 1.798 0.000 -1.707) 2.479 20.904 ( -1.865 0.000 2.578) 3.182 20.982 ( -1.656 0.000 -1.938) 2.549 21.548 ( -4.620 0.000 4.963) 6.780 21.618 ( -7.613 0.000 5.882) 9.620 21.835 ( 1.072 0.000 -4.374) 4.504 22.012 ( 4.663 0.000 -2.906) 5.494 22.214 ( 0.394 0.000 0.264) 0.474 22.249 ( 1.632 0.000 0.056) 1.633 22.365 ( -3.306 0.000 -3.609) 4.895 22.391 ( 4.864 0.000 0.377) 4.879 22.666 ( -0.620 0.000 3.033) 3.095 22.843 ( 1.198 0.000 -4.197) 4.365 22.937 ( -1.250 0.000 1.399) 1.876 22.972 ( -0.034 0.000 0.687) 0.687 23.180 ( -4.242 0.000 5.491) 6.939 23.303 ( 0.801 0.000 3.006) 3.111 23.392 ( 4.194 0.000 1.260) 4.379 23.614 ( 3.550 0.000 -8.353) 9.076 23.816 ( -3.060 0.000 1.069) 3.241 24.079 ( 5.048 0.000 -3.768) 6.299 24.228 ( -0.293 0.000 3.011) 3.025 24.332 ( -3.384 0.000 -3.325) 4.744 ======================= Grid point 92 (45/96) ======================= q-point: ( 0.22 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.910 ( -2.003 0.000 12.295) 12.457 1.102 ( -7.181 0.000 -9.131) 11.616 1.323 ( 1.362 0.000 9.937) 10.030 1.403 ( 8.718 0.000 1.808) 8.904 1.479 ( 9.445 0.000 -10.047) 13.789 1.652 ( 7.476 0.000 6.640) 9.999 1.751 ( 5.309 0.000 -3.033) 6.114 1.898 ( 2.056 0.000 4.807) 5.228 1.972 ( -3.365 0.000 -3.428) 4.804 2.092 ( -3.240 0.000 1.771) 3.692 2.147 ( 3.750 0.000 -4.613) 5.945 2.314 ( -0.406 0.000 4.323) 4.342 2.376 ( -0.714 0.000 5.703) 5.747 2.392 ( 3.365 0.000 -2.523) 4.206 2.426 ( 5.680 0.000 1.178) 5.801 2.457 ( -3.933 0.000 -3.083) 4.997 2.770 ( 1.974 0.000 -3.552) 4.064 2.850 ( -1.593 0.000 -0.880) 1.820 2.938 ( 6.482 0.000 5.985) 8.823 2.970 ( -4.948 0.000 -1.668) 5.222 3.012 ( -5.274 0.000 -1.090) 5.386 3.210 ( -4.111 0.000 -2.591) 4.860 3.235 ( -4.730 0.000 -3.596) 5.942 3.330 ( -5.446 0.000 -0.816) 5.506 3.372 ( -1.596 0.000 -3.292) 3.659 3.452 ( 5.572 0.000 9.239) 10.790 3.562 ( -3.768 0.000 -2.852) 4.726 3.612 ( -7.377 0.000 3.264) 8.067 3.729 ( -4.441 0.000 -0.598) 4.481 3.906 ( -7.906 0.000 -4.488) 9.091 3.973 ( 4.238 0.000 2.404) 4.873 4.067 ( 2.222 0.000 1.452) 2.655 4.162 ( -3.271 0.000 -7.893) 8.543 4.333 ( -0.410 0.000 3.179) 3.206 4.419 ( 2.188 0.000 4.003) 4.562 4.439 ( 3.313 0.000 6.604) 7.388 4.514 ( 3.549 0.000 -3.585) 5.045 4.537 ( 2.469 0.000 2.848) 3.769 4.619 ( 4.862 0.000 1.565) 5.107 4.699 ( 4.221 0.000 -3.559) 5.521 4.791 ( -4.997 0.000 -2.374) 5.532 4.794 ( 1.561 0.000 -1.843) 2.415 5.007 ( -0.403 0.000 0.747) 0.849 5.056 ( 0.403 0.000 4.033) 4.053 5.156 ( -2.849 0.000 3.832) 4.775 5.321 ( 1.183 0.000 -3.229) 3.439 5.378 ( 0.030 0.000 0.898) 0.898 5.488 ( 2.564 0.000 -2.448) 3.545 5.603 ( -5.455 0.000 -5.164) 7.511 5.612 ( -0.860 0.000 0.104) 0.866 5.864 ( -6.875 0.000 -0.568) 6.899 5.946 ( -4.976 0.000 -0.485) 5.000 6.214 ( -5.267 0.000 -3.714) 6.445 6.383 ( 6.469 0.000 6.192) 8.955 6.509 ( -1.303 0.000 0.577) 1.425 6.602 ( 0.177 0.000 -3.615) 3.619 6.661 ( -0.810 0.000 -3.439) 3.533 6.848 ( 4.329 0.000 -1.583) 4.609 6.917 ( -0.129 0.000 4.857) 4.859 6.951 ( -2.051 0.000 -3.155) 3.763 8.455 ( -0.090 0.000 -1.256) 1.260 8.464 ( 0.828 0.000 0.246) 0.864 8.598 ( -1.964 0.000 2.382) 3.087 8.772 ( -0.035 0.000 -4.449) 4.449 9.198 ( -0.238 0.000 -2.184) 2.196 9.257 ( -0.712 0.000 -1.156) 1.358 9.379 ( 3.743 0.000 2.394) 4.443 9.559 ( -2.125 0.000 6.638) 6.970 9.638 ( 5.462 0.000 -2.262) 5.912 9.721 ( -1.006 0.000 3.282) 3.433 9.734 ( 4.448 0.000 0.251) 4.455 9.868 ( 2.084 0.000 -6.311) 6.646 10.202 ( 6.249 0.000 1.394) 6.402 10.443 ( 3.620 0.000 2.640) 4.481 10.467 ( 2.591 0.000 0.246) 2.603 10.687 ( 13.032 0.000 2.252) 13.225 11.142 ( -3.927 0.000 -0.103) 3.928 11.194 ( -1.039 0.000 -1.062) 1.486 11.285 ( -1.050 0.000 -1.165) 1.569 11.291 ( -1.329 0.000 -0.311) 1.365 12.032 ( -1.791 0.000 1.110) 2.107 12.053 ( -0.923 0.000 -1.441) 1.711 12.121 ( 1.154 0.000 1.756) 2.101 12.149 ( 0.778 0.000 -0.281) 0.828 20.166 ( 1.984 0.000 0.048) 1.985 20.210 ( 2.438 0.000 -0.638) 2.520 20.874 ( -3.852 0.000 -0.257) 3.861 20.895 ( -5.687 0.000 -2.676) 6.286 21.529 ( -5.103 0.000 5.900) 7.801 21.611 ( -3.641 0.000 5.779) 6.831 21.821 ( 2.596 0.000 -3.111) 4.052 22.053 ( 2.450 0.000 0.013) 2.450 22.224 ( 0.661 0.000 -0.217) 0.695 22.279 ( 2.913 0.000 -1.352) 3.211 22.286 ( -2.096 0.000 -1.887) 2.820 22.462 ( 3.999 0.000 0.061) 3.999 22.674 ( -0.988 0.000 0.958) 1.377 22.795 ( 0.171 0.000 -5.071) 5.074 22.944 ( -0.291 0.000 1.531) 1.559 22.977 ( -1.002 0.000 0.886) 1.338 23.125 ( -5.574 0.000 1.353) 5.736 23.381 ( 2.142 0.000 3.584) 4.176 23.444 ( 3.559 0.000 -3.796) 5.203 23.586 ( 4.133 0.000 -5.375) 6.780 23.771 ( -2.978 0.000 -0.342) 2.998 24.068 ( 0.919 0.000 -5.147) 5.228 24.230 ( -4.291 0.000 -3.482) 5.526 24.245 ( -2.428 0.000 3.575) 4.322 ======================= Grid point 93 (46/96) ======================= q-point: ( 0.33 0.00 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.931 ( -0.992 0.000 -7.263) 7.330 1.030 ( -1.163 0.000 13.277) 13.328 1.406 ( 0.706 0.000 6.650) 6.688 1.476 ( 10.043 0.000 -12.660) 16.160 1.622 ( 7.994 0.000 8.655) 11.782 1.815 ( -6.356 0.000 -1.561) 6.545 1.824 ( -3.616 0.000 9.778) 10.425 1.865 ( 8.335 0.000 -5.681) 10.087 2.023 ( 8.153 0.000 5.263) 9.704 2.091 ( 2.740 0.000 -3.009) 4.070 2.168 ( 5.679 0.000 -4.180) 7.051 2.296 ( -4.876 0.000 0.350) 4.888 2.345 ( -2.364 0.000 -4.866) 5.410 2.408 ( -0.246 0.000 -0.855) 0.889 2.436 ( 0.463 0.000 1.795) 1.854 2.540 ( 8.379 0.000 -1.737) 8.557 2.740 ( 0.165 0.000 -6.772) 6.774 2.798 ( -8.763 0.000 -9.347) 12.813 2.817 ( 0.949 0.000 -3.215) 3.353 2.897 ( -5.312 0.000 3.456) 6.337 3.046 ( -0.604 0.000 1.004) 1.172 3.100 ( -2.190 0.000 -4.534) 5.035 3.180 ( 0.849 0.000 -0.806) 1.170 3.219 ( -5.191 0.000 -3.320) 6.162 3.305 ( -3.197 0.000 -1.857) 3.697 3.471 ( -5.665 0.000 -3.288) 6.550 3.511 ( -8.145 0.000 0.246) 8.148 3.629 ( 3.113 0.000 8.893) 9.422 3.658 ( -3.806 0.000 -0.509) 3.840 3.708 ( -5.889 0.000 -6.530) 8.793 3.994 ( -4.007 0.000 -9.941) 10.718 4.096 ( -0.842 0.000 1.016) 1.319 4.113 ( 5.943 0.000 5.883) 8.362 4.347 ( -0.454 0.000 1.890) 1.944 4.419 ( -0.120 0.000 -3.214) 3.216 4.535 ( 0.415 0.000 3.126) 3.153 4.580 ( 0.388 0.000 4.469) 4.486 4.637 ( 8.205 0.000 2.863) 8.690 4.666 ( -5.654 0.000 -3.220) 6.507 4.721 ( 2.397 0.000 -1.244) 2.701 4.728 ( 4.187 0.000 0.982) 4.301 4.834 ( 5.140 0.000 -0.262) 5.147 4.991 ( -3.229 0.000 2.804) 4.276 5.086 ( -6.106 0.000 0.377) 6.117 5.189 ( 9.112 0.000 3.477) 9.753 5.320 ( -1.573 0.000 -0.056) 1.574 5.389 ( 0.327 0.000 2.026) 2.052 5.467 ( -4.705 0.000 -4.290) 6.368 5.512 ( 2.868 0.000 -2.136) 3.576 5.620 ( 1.647 0.000 -0.929) 1.891 5.789 ( -3.459 0.000 3.966) 5.262 5.889 ( -2.798 0.000 1.457) 3.154 6.093 ( -5.598 0.000 -2.118) 5.985 6.481 ( -3.380 0.000 2.243) 4.057 6.497 ( -1.237 0.000 -0.317) 1.277 6.542 ( 0.507 0.000 -3.039) 3.081 6.660 ( 2.564 0.000 -0.751) 2.672 6.860 ( 0.677 0.000 -2.500) 2.590 6.922 ( 3.419 0.000 -1.964) 3.943 6.954 ( -0.798 0.000 2.546) 2.668 8.446 ( -0.566 0.000 0.115) 0.578 8.494 ( 1.147 0.000 2.223) 2.502 8.609 ( -0.383 0.000 3.240) 3.263 8.719 ( 0.069 0.000 -4.257) 4.257 9.182 ( 1.416 0.000 -2.679) 3.030 9.246 ( 0.676 0.000 -0.564) 0.880 9.428 ( 0.510 0.000 -1.236) 1.337 9.597 ( -3.411 0.000 7.233) 7.997 9.635 ( 2.569 0.000 -3.147) 4.062 9.743 ( -1.472 0.000 3.653) 3.939 9.795 ( -1.784 0.000 -4.308) 4.663 9.855 ( 7.448 0.000 -1.290) 7.559 10.367 ( 11.645 0.000 1.562) 11.749 10.501 ( 1.858 0.000 -1.051) 2.135 10.521 ( 3.422 0.000 1.389) 3.694 10.910 ( 10.183 0.000 4.676) 11.205 11.071 ( -5.506 0.000 0.650) 5.544 11.164 ( -0.916 0.000 -1.228) 1.532 11.249 ( -2.912 0.000 -1.076) 3.104 11.277 ( 0.207 0.000 1.203) 1.221 12.015 ( -1.928 0.000 0.714) 2.056 12.026 ( 0.198 0.000 -1.981) 1.991 12.148 ( 0.488 0.000 1.157) 1.255 12.164 ( 0.442 0.000 1.132) 1.215 20.211 ( 2.858 0.000 1.069) 3.052 20.249 ( 2.568 0.000 0.535) 2.624 20.762 ( -6.481 0.000 -3.919) 7.574 20.778 ( -4.753 0.000 -4.810) 6.762 21.532 ( -3.765 0.000 6.620) 7.616 21.616 ( -4.174 0.000 5.524) 6.923 21.832 ( 2.815 0.000 -3.008) 4.120 22.074 ( -0.749 0.000 1.383) 1.573 22.227 ( 0.632 0.000 0.156) 0.651 22.273 ( 0.525 0.000 0.618) 0.811 22.304 ( 3.307 0.000 -2.610) 4.213 22.517 ( 2.959 0.000 0.411) 2.987 22.671 ( 0.606 0.000 -0.730) 0.949 22.744 ( 0.978 0.000 -5.218) 5.309 22.937 ( -4.142 0.000 -0.850) 4.229 22.958 ( -0.171 0.000 1.406) 1.417 23.092 ( -1.152 0.000 2.729) 2.962 23.410 ( -0.937 0.000 -0.933) 1.323 23.413 ( 3.015 0.000 -9.294) 9.770 23.620 ( 4.881 0.000 -1.954) 5.257 23.734 ( -1.302 0.000 0.172) 1.313 24.009 ( -0.247 0.000 -5.663) 5.668 24.141 ( -2.328 0.000 -2.302) 3.274 24.231 ( -4.003 0.000 2.342) 4.638 ======================= Grid point 94 (47/96) ======================= q-point: (-0.56 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.930 ( 8.445 0.000 -4.186) 9.426 1.171 ( -1.173 0.000 13.739) 13.789 1.479 ( -4.141 0.000 3.755) 5.589 1.512 ( 9.508 0.000 -8.817) 12.967 1.634 ( -7.982 0.000 1.431) 8.109 1.751 ( -11.542 0.000 0.478) 11.552 1.800 ( 3.340 0.000 3.834) 5.085 1.998 ( 10.080 0.000 -3.942) 10.823 2.068 ( 4.048 0.000 -6.635) 7.773 2.112 ( -3.649 0.000 -10.681) 11.287 2.190 ( -1.536 0.000 4.523) 4.776 2.211 ( -0.981 0.000 -7.397) 7.461 2.275 ( -4.738 0.000 2.872) 5.541 2.378 ( 5.218 0.000 -6.243) 8.137 2.461 ( 0.530 0.000 0.552) 0.766 2.518 ( -8.174 0.000 -2.802) 8.641 2.632 ( 8.461 0.000 -5.502) 10.093 2.745 ( 2.092 0.000 0.607) 2.178 2.785 ( 0.529 0.000 -5.269) 5.295 2.913 ( -2.361 0.000 6.292) 6.721 2.982 ( 0.689 0.000 -4.406) 4.460 3.075 ( -0.745 0.000 -1.984) 2.119 3.143 ( 0.565 0.000 -3.072) 3.123 3.172 ( -1.437 0.000 -2.539) 2.917 3.256 ( -0.405 0.000 1.300) 1.362 3.281 ( -9.052 0.000 -6.414) 11.094 3.384 ( -6.572 0.000 -2.408) 6.999 3.594 ( -3.725 0.000 -0.387) 3.745 3.618 ( -0.694 0.000 0.095) 0.700 3.727 ( -2.757 0.000 2.934) 4.026 3.867 ( 2.518 0.000 -6.797) 7.248 4.069 ( -2.650 0.000 -0.116) 2.652 4.247 ( 3.174 0.000 3.869) 5.004 4.378 ( 1.102 0.000 3.125) 3.313 4.397 ( 0.279 0.000 0.160) 0.322 4.524 ( -6.597 0.000 -1.194) 6.704 4.569 ( 1.115 0.000 1.029) 1.517 4.657 ( 0.608 0.000 3.265) 3.321 4.697 ( -0.201 0.000 -2.057) 2.067 4.755 ( 0.762 0.000 -1.743) 1.902 4.810 ( 8.374 0.000 1.728) 8.551 4.912 ( 3.502 0.000 -0.162) 3.506 4.973 ( -3.074 0.000 3.261) 4.481 5.036 ( -2.293 0.000 2.602) 3.468 5.280 ( -2.459 0.000 0.064) 2.460 5.331 ( -3.617 0.000 -0.273) 3.627 5.393 ( 6.165 0.000 -0.658) 6.200 5.419 ( -0.152 0.000 1.853) 1.859 5.527 ( 3.583 0.000 -0.096) 3.584 5.610 ( 0.068 0.000 -3.500) 3.501 5.875 ( 3.939 0.000 8.365) 9.246 5.903 ( -0.008 0.000 4.631) 4.631 6.016 ( -1.826 0.000 -0.592) 1.920 6.347 ( -5.544 0.000 -8.332) 10.008 6.466 ( -1.621 0.000 1.344) 2.106 6.566 ( 1.916 0.000 -1.414) 2.381 6.694 ( 1.325 0.000 0.930) 1.618 6.861 ( 1.722 0.000 -1.706) 2.424 6.945 ( -2.392 0.000 0.126) 2.395 6.953 ( 2.578 0.000 -1.566) 3.016 8.438 ( -0.856 0.000 0.548) 1.017 8.545 ( 1.505 0.000 3.003) 3.359 8.663 ( 1.217 0.000 4.796) 4.948 8.687 ( 1.293 0.000 -2.933) 3.206 9.169 ( 1.480 0.000 -3.594) 3.887 9.271 ( 1.839 0.000 1.584) 2.428 9.357 ( -3.577 0.000 -5.784) 6.800 9.614 ( -4.634 0.000 6.563) 8.034 9.669 ( 1.626 0.000 -2.972) 3.387 9.702 ( -0.133 0.000 -3.173) 3.175 9.753 ( -2.538 0.000 3.327) 4.185 9.947 ( 6.209 0.000 -1.644) 6.423 10.497 ( -0.192 0.000 -1.481) 1.494 10.508 ( 2.727 0.000 0.016) 2.727 10.616 ( 7.342 0.000 3.136) 7.983 11.006 ( -4.133 0.000 2.136) 4.652 11.030 ( -2.788 0.000 0.963) 2.949 11.143 ( 0.849 0.000 -1.761) 1.955 11.225 ( 1.911 0.000 2.176) 2.896 11.321 ( 2.184 0.000 2.965) 3.683 11.986 ( -2.362 0.000 0.051) 2.363 12.018 ( 1.431 0.000 -1.629) 2.168 12.169 ( 0.400 0.000 1.548) 1.599 12.183 ( -0.344 0.000 1.861) 1.892 20.266 ( 2.016 0.000 1.361) 2.432 20.296 ( 2.001 0.000 1.208) 2.338 20.618 ( -4.811 0.000 -5.802) 7.537 20.639 ( -2.682 0.000 -8.115) 8.547 21.559 ( -2.976 0.000 6.529) 7.175 21.617 ( -4.024 0.000 6.568) 7.702 21.828 ( 1.631 0.000 -3.464) 3.829 22.078 ( 0.423 0.000 0.474) 0.636 22.253 ( 0.992 0.000 0.897) 1.338 22.306 ( 1.679 0.000 3.158) 3.577 22.312 ( 0.997 0.000 -2.390) 2.589 22.562 ( 1.958 0.000 0.595) 2.046 22.668 ( -0.066 0.000 -0.853) 0.855 22.712 ( 2.328 0.000 -4.652) 5.202 22.858 ( -3.020 0.000 -2.902) 4.188 22.965 ( -0.549 0.000 0.440) 0.704 23.138 ( 0.447 0.000 5.745) 5.762 23.334 ( -3.879 0.000 -4.818) 6.186 23.346 ( 3.021 0.000 -10.067) 10.510 23.676 ( 5.327 0.000 -2.256) 5.785 23.734 ( -0.170 0.000 1.342) 1.352 23.936 ( -0.384 0.000 -6.389) 6.400 24.119 ( 1.840 0.000 -0.790) 2.002 24.177 ( -4.945 0.000 0.562) 4.976 ======================= Grid point 95 (48/96) ======================= q-point: (-0.44 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.047 ( 11.032 0.000 -3.226) 11.494 1.227 ( -13.511 0.000 3.757) 14.023 1.278 ( -14.970 0.000 -3.981) 15.491 1.454 ( 0.894 0.000 -7.441) 7.494 1.644 ( 2.396 0.000 -6.675) 7.092 1.688 ( 1.231 0.000 7.616) 7.715 1.749 ( -4.652 0.000 -7.370) 8.715 1.846 ( -17.535 0.000 -4.979) 18.228 1.973 ( -5.976 0.000 -10.246) 11.862 2.013 ( -0.180 0.000 -0.589) 0.616 2.177 ( 5.558 0.000 3.129) 6.379 2.215 ( 1.289 0.000 -0.276) 1.318 2.275 ( 0.509 0.000 3.976) 4.009 2.385 ( -2.780 0.000 -0.774) 2.886 2.433 ( -5.896 0.000 0.257) 5.902 2.498 ( 5.094 0.000 -1.664) 5.359 2.710 ( 5.930 0.000 -0.873) 5.994 2.731 ( 1.321 0.000 -6.094) 6.235 2.828 ( 5.335 0.000 1.873) 5.654 2.923 ( -2.972 0.000 3.320) 4.456 2.944 ( 3.114 0.000 -5.926) 6.694 3.074 ( 2.757 0.000 -0.092) 2.758 3.092 ( -2.291 0.000 -3.299) 4.016 3.120 ( -3.672 0.000 -5.193) 6.360 3.168 ( 3.306 0.000 2.515) 4.154 3.247 ( -4.721 0.000 -4.527) 6.541 3.327 ( 0.939 0.000 5.580) 5.659 3.566 ( 1.493 0.000 0.362) 1.536 3.614 ( -0.120 0.000 -6.106) 6.107 3.704 ( 3.074 0.000 2.316) 3.849 3.877 ( 1.503 0.000 -0.772) 1.690 4.027 ( -2.917 0.000 0.633) 2.985 4.293 ( -0.117 0.000 1.298) 1.303 4.398 ( -2.964 0.000 -5.656) 6.385 4.429 ( 0.681 0.000 2.997) 3.073 4.456 ( -0.801 0.000 6.691) 6.739 4.604 ( 1.788 0.000 0.960) 2.029 4.644 ( -4.062 0.000 -1.073) 4.202 4.686 ( -1.884 0.000 3.621) 4.082 4.712 ( -3.128 0.000 -2.336) 3.904 4.934 ( 1.458 0.000 -1.067) 1.806 4.967 ( 9.913 0.000 0.242) 9.916 5.012 ( 2.598 0.000 4.841) 5.494 5.038 ( -1.675 0.000 2.033) 2.634 5.220 ( -6.548 0.000 -0.183) 6.551 5.249 ( -0.328 0.000 -3.534) 3.549 5.416 ( -1.674 0.000 0.467) 1.738 5.458 ( 2.972 0.000 -1.151) 3.187 5.555 ( -2.063 0.000 -2.624) 3.338 5.655 ( 8.516 0.000 1.780) 8.700 5.976 ( 0.937 0.000 5.697) 5.774 6.001 ( 0.784 0.000 2.945) 3.048 6.064 ( 6.787 0.000 4.353) 8.063 6.210 ( -1.313 0.000 -4.765) 4.943 6.452 ( -0.441 0.000 -1.106) 1.191 6.554 ( 1.265 0.000 -5.048) 5.204 6.710 ( -1.240 0.000 1.365) 1.844 6.859 ( 0.777 0.000 -1.983) 2.130 6.889 ( -3.569 0.000 -1.527) 3.881 6.961 ( 1.120 0.000 -1.771) 2.096 8.436 ( -0.480 0.000 1.066) 1.169 8.594 ( 2.235 0.000 -0.139) 2.240 8.699 ( 1.846 0.000 1.057) 2.127 8.737 ( 0.969 0.000 4.213) 4.323 9.157 ( 2.224 0.000 -2.647) 3.457 9.217 ( -4.713 0.000 -6.786) 8.262 9.330 ( 1.576 0.000 3.708) 4.029 9.552 ( -4.447 0.000 -6.377) 7.775 9.606 ( -5.030 0.000 5.197) 7.232 9.740 ( -3.326 0.000 2.548) 4.190 9.769 ( 5.104 0.000 0.685) 5.149 10.007 ( 5.060 0.000 -2.996) 5.880 10.474 ( -1.174 0.000 -0.251) 1.200 10.492 ( -3.246 0.000 -0.802) 3.343 10.757 ( 2.589 0.000 7.616) 8.044 10.888 ( -10.608 0.000 -3.938) 11.315 11.015 ( 1.991 0.000 2.088) 2.885 11.146 ( 1.899 0.000 -1.903) 2.688 11.302 ( 1.657 0.000 3.045) 3.466 11.397 ( 3.277 0.000 2.241) 3.970 11.947 ( -2.541 0.000 -0.057) 2.541 12.031 ( 1.957 0.000 -0.851) 2.134 12.192 ( -0.877 0.000 1.313) 1.579 12.203 ( 0.997 0.000 2.900) 3.066 20.294 ( -0.267 0.000 1.143) 1.174 20.325 ( 0.074 0.000 0.370) 0.378 20.488 ( -2.034 0.000 -7.586) 7.854 20.549 ( 2.534 0.000 -6.212) 6.709 21.575 ( -2.924 0.000 4.429) 5.307 21.661 ( -2.722 0.000 10.209) 10.566 21.818 ( 2.228 0.000 -2.887) 3.647 22.095 ( 2.654 0.000 -2.472) 3.627 22.263 ( -0.653 0.000 0.728) 0.978 22.281 ( -1.920 0.000 -0.814) 2.085 22.400 ( 3.492 0.000 5.576) 6.579 22.574 ( -0.509 0.000 -1.065) 1.180 22.665 ( 0.680 0.000 0.044) 0.681 22.706 ( 3.005 0.000 -3.907) 4.929 22.762 ( -4.833 0.000 -3.912) 6.218 22.945 ( -1.093 0.000 -1.890) 2.183 23.208 ( -2.049 0.000 -0.038) 2.050 23.233 ( -1.221 0.000 3.370) 3.585 23.286 ( 2.578 0.000 -7.751) 8.169 23.721 ( 5.702 0.000 -6.557) 8.690 23.752 ( 0.421 0.000 1.422) 1.484 23.855 ( -0.421 0.000 -5.483) 5.499 24.100 ( -4.921 0.000 -0.377) 4.935 24.170 ( 4.924 0.000 0.041) 4.924 ======================= Grid point 96 (49/96) ======================= q-point: (-0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.829 ( -19.855 0.000 -16.884) 26.063 0.982 ( -18.015 0.000 -0.764) 18.031 1.197 ( 7.796 0.000 2.257) 8.116 1.418 ( -26.210 0.000 3.099) 26.392 1.534 ( 1.858 0.000 4.723) 5.076 1.572 ( -3.100 0.000 -6.801) 7.474 1.629 ( -1.491 0.000 -1.134) 1.873 1.769 ( 1.667 0.000 1.699) 2.381 1.932 ( 4.330 0.000 -1.765) 4.676 1.980 ( -4.741 0.000 2.263) 5.254 2.208 ( 0.338 0.000 -5.795) 5.805 2.240 ( -0.435 0.000 0.593) 0.736 2.283 ( -9.604 0.000 0.278) 9.608 2.361 ( 0.777 0.000 3.430) 3.517 2.374 ( 2.223 0.000 4.729) 5.225 2.521 ( 0.711 0.000 -3.768) 3.834 2.712 ( 2.044 0.000 -1.383) 2.468 2.749 ( 0.110 0.000 -0.452) 0.465 2.876 ( 3.400 0.000 -4.776) 5.863 2.951 ( 2.300 0.000 -8.109) 8.429 2.951 ( -4.051 0.000 8.761) 9.652 3.031 ( 1.550 0.000 -2.883) 3.273 3.081 ( 4.817 0.000 -1.644) 5.090 3.141 ( 3.664 0.000 4.105) 5.502 3.155 ( 0.254 0.000 -1.792) 1.810 3.306 ( 8.056 0.000 4.860) 9.408 3.397 ( -0.691 0.000 6.754) 6.789 3.512 ( -0.783 0.000 -8.293) 8.330 3.655 ( 7.359 0.000 1.802) 7.576 3.814 ( 7.819 0.000 -5.159) 9.368 3.902 ( 0.458 0.000 7.106) 7.121 4.005 ( -1.528 0.000 1.755) 2.327 4.274 ( -3.373 0.000 -6.978) 7.751 4.296 ( -1.227 0.000 1.878) 2.243 4.461 ( -0.383 0.000 0.912) 0.989 4.477 ( -5.912 0.000 2.685) 6.493 4.564 ( -5.515 0.000 1.260) 5.657 4.627 ( -3.878 0.000 1.398) 4.123 4.653 ( -0.313 0.000 1.546) 1.577 4.694 ( 0.508 0.000 1.484) 1.568 4.941 ( 3.000 0.000 -4.090) 5.072 5.022 ( -2.231 0.000 2.094) 3.060 5.106 ( 7.813 0.000 -6.185) 9.965 5.132 ( 1.738 0.000 5.292) 5.570 5.168 ( -2.482 0.000 -1.626) 2.967 5.183 ( 2.469 0.000 3.563) 4.335 5.392 ( -2.101 0.000 -0.310) 2.124 5.483 ( 2.052 0.000 -0.737) 2.180 5.506 ( -0.760 0.000 -1.079) 1.320 5.757 ( 5.358 0.000 -4.323) 6.885 6.043 ( 2.274 0.000 2.530) 3.401 6.046 ( 2.276 0.000 1.693) 2.836 6.188 ( 4.525 0.000 -0.565) 4.560 6.197 ( 2.273 0.000 -1.283) 2.610 6.437 ( -0.279 0.000 0.682) 0.737 6.506 ( 1.051 0.000 -4.833) 4.946 6.686 ( -3.442 0.000 1.124) 3.621 6.810 ( -4.554 0.000 -1.291) 4.734 6.839 ( -0.378 0.000 -2.259) 2.291 6.954 ( 0.402 0.000 -1.242) 1.305 8.448 ( -0.057 0.000 1.620) 1.621 8.609 ( 2.758 0.000 -3.741) 4.648 8.755 ( 1.480 0.000 3.052) 3.391 8.767 ( -0.607 0.000 0.216) 0.644 9.078 ( -3.963 0.000 -4.979) 6.364 9.191 ( 3.466 0.000 0.916) 3.585 9.390 ( -0.754 0.000 5.091) 5.147 9.414 ( -4.641 0.000 -5.238) 6.998 9.579 ( -4.786 0.000 3.244) 5.782 9.723 ( -1.928 0.000 2.387) 3.068 9.850 ( 4.679 0.000 -0.058) 4.679 10.033 ( 3.668 0.000 -4.185) 5.565 10.406 ( -6.961 0.000 0.256) 6.966 10.454 ( -2.156 0.000 0.400) 2.193 10.655 ( -12.191 0.000 -4.811) 13.106 10.901 ( 2.643 0.000 11.716) 12.011 11.084 ( 4.152 0.000 0.575) 4.191 11.156 ( 2.136 0.000 -1.785) 2.784 11.329 ( -0.815 0.000 0.925) 1.233 11.442 ( 1.829 0.000 -3.168) 3.658 11.914 ( -2.081 0.000 0.647) 2.180 12.053 ( 1.583 0.000 -0.216) 1.598 12.189 ( -0.529 0.000 0.102) 0.539 12.269 ( 2.448 0.000 3.666) 4.408 20.286 ( -1.872 0.000 0.542) 1.949 20.306 ( -1.405 0.000 -1.248) 1.879 20.390 ( -0.619 0.000 -5.295) 5.331 20.579 ( 6.237 0.000 -1.381) 6.388 21.576 ( -3.250 0.000 4.092) 5.225 21.766 ( -0.123 0.000 12.793) 12.794 21.837 ( 4.043 0.000 -2.271) 4.637 22.084 ( 2.405 0.000 -6.432) 6.867 22.256 ( -1.505 0.000 1.160) 1.901 22.262 ( -0.952 0.000 1.813) 2.048 22.518 ( 3.280 0.000 4.694) 5.727 22.533 ( -3.430 0.000 -0.897) 3.545 22.578 ( -3.883 0.000 -9.389) 10.160 22.707 ( 2.134 0.000 -3.484) 4.086 22.732 ( -0.842 0.000 6.290) 6.347 22.890 ( -0.866 0.000 -4.438) 4.522 23.142 ( -1.363 0.000 -2.819) 3.131 23.255 ( 1.432 0.000 -2.990) 3.315 23.300 ( -1.912 0.000 7.549) 7.787 23.619 ( -1.333 0.000 -16.549) 16.602 23.779 ( 0.804 0.000 1.545) 1.742 23.857 ( 3.933 0.000 -1.271) 4.133 24.032 ( -3.456 0.000 0.701) 3.526 24.258 ( 5.809 0.000 0.359) 5.820 ======================= Grid point 97 (50/96) ======================= q-point: (-0.22 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.400 ( -14.811 0.000 -1.539) 14.891 0.716 ( -18.888 0.000 6.190) 19.876 1.046 ( -28.761 0.000 9.529) 30.298 1.374 ( 4.429 0.000 11.860) 12.660 1.498 ( -2.160 0.000 4.584) 5.067 1.670 ( 6.249 0.000 2.962) 6.915 1.676 ( 2.312 0.000 3.252) 3.990 1.777 ( -2.574 0.000 1.981) 3.249 1.938 ( -1.534 0.000 1.021) 1.843 1.971 ( 1.291 0.000 0.908) 1.579 2.104 ( -0.744 0.000 -9.775) 9.803 2.137 ( -5.690 0.000 2.773) 6.329 2.264 ( -0.666 0.000 0.180) 0.690 2.420 ( -2.365 0.000 2.147) 3.194 2.432 ( -3.275 0.000 -6.088) 6.912 2.476 ( 5.874 0.000 4.279) 7.267 2.704 ( -1.216 0.000 -3.278) 3.496 2.743 ( 0.325 0.000 -0.693) 0.765 2.888 ( 2.519 0.000 -0.645) 2.600 2.895 ( 3.770 0.000 -3.730) 5.304 2.931 ( -5.424 0.000 3.768) 6.604 3.044 ( -0.668 0.000 0.932) 1.147 3.175 ( 3.327 0.000 5.735) 6.630 3.230 ( 2.346 0.000 -3.084) 3.875 3.235 ( 6.832 0.000 3.095) 7.500 3.456 ( 6.353 0.000 -2.420) 6.799 3.474 ( 1.106 0.000 5.962) 6.064 3.506 ( 8.992 0.000 4.713) 10.152 3.787 ( -0.440 0.000 -5.865) 5.882 3.797 ( 7.452 0.000 2.039) 7.726 4.020 ( 1.597 0.000 0.509) 1.676 4.052 ( 4.708 0.000 8.001) 9.283 4.141 ( -3.691 0.000 -6.373) 7.365 4.305 ( -1.405 0.000 2.009) 2.451 4.363 ( -7.565 0.000 -1.920) 7.804 4.430 ( -1.910 0.000 -1.508) 2.434 4.515 ( -4.686 0.000 2.998) 5.563 4.544 ( -6.689 0.000 -0.139) 6.690 4.663 ( -4.203 0.000 4.380) 6.071 4.760 ( 4.538 0.000 0.846) 4.616 4.919 ( 2.418 0.000 -6.982) 7.388 4.983 ( -0.558 0.000 -4.885) 4.917 5.074 ( -0.702 0.000 1.327) 1.501 5.162 ( -2.388 0.000 3.834) 4.516 5.183 ( -2.059 0.000 -1.020) 2.298 5.314 ( 7.363 0.000 -3.045) 7.968 5.355 ( 0.918 0.000 -1.281) 1.576 5.506 ( 1.178 0.000 -2.698) 2.944 5.517 ( 3.051 0.000 -1.113) 3.248 5.716 ( 1.005 0.000 -4.735) 4.841 6.125 ( 5.264 0.000 1.441) 5.458 6.134 ( 4.350 0.000 3.692) 5.705 6.191 ( 2.715 0.000 -2.480) 3.677 6.193 ( 2.450 0.000 -6.215) 6.680 6.466 ( -1.085 0.000 4.463) 4.593 6.507 ( 1.446 0.000 1.571) 2.135 6.654 ( -3.196 0.000 3.553) 4.779 6.725 ( -5.453 0.000 0.307) 5.462 6.797 ( -0.509 0.000 -3.434) 3.472 6.945 ( -0.605 0.000 -0.119) 0.617 8.470 ( 0.203 0.000 2.140) 2.150 8.597 ( 1.941 0.000 -4.805) 5.182 8.733 ( -1.152 0.000 -3.190) 3.391 8.782 ( 0.433 0.000 -1.562) 1.620 9.016 ( -0.610 0.000 1.556) 1.672 9.267 ( 2.557 0.000 3.376) 4.235 9.304 ( -3.096 0.000 -3.166) 4.429 9.412 ( -3.844 0.000 4.744) 6.106 9.537 ( -4.243 0.000 1.826) 4.619 9.744 ( 0.727 0.000 2.426) 2.532 9.904 ( 3.416 0.000 -1.438) 3.706 10.016 ( 1.242 0.000 -6.106) 6.231 10.308 ( -7.552 0.000 2.850) 8.072 10.349 ( -9.775 0.000 -3.741) 10.466 10.493 ( -3.479 0.000 -0.120) 3.481 11.092 ( 5.577 0.000 6.755) 8.760 11.140 ( 2.739 0.000 -0.223) 2.748 11.171 ( 2.120 0.000 -1.210) 2.441 11.313 ( -1.304 0.000 -0.169) 1.314 11.321 ( -6.996 0.000 -12.940) 14.711 11.900 ( -1.147 0.000 1.379) 1.793 12.073 ( 0.869 0.000 0.369) 0.944 12.181 ( 0.143 0.000 -0.949) 0.960 12.319 ( 0.984 0.000 -2.973) 3.132 20.256 ( -1.910 0.000 -0.557) 1.990 20.264 ( -1.526 0.000 -1.875) 2.418 20.417 ( 4.712 0.000 9.524) 10.626 20.684 ( 6.416 0.000 1.822) 6.669 21.568 ( -3.930 0.000 4.107) 5.685 21.882 ( 5.100 0.000 -2.791) 5.814 21.977 ( 8.051 0.000 14.232) 16.351 22.042 ( 2.542 0.000 -6.830) 7.288 22.242 ( -2.139 0.000 0.270) 2.156 22.272 ( 0.024 0.000 -0.184) 0.185 22.382 ( -6.068 0.000 -6.169) 8.653 22.520 ( -0.787 0.000 1.531) 1.722 22.561 ( -0.585 0.000 -2.491) 2.559 22.639 ( -4.804 0.000 -6.023) 7.704 22.808 ( 0.347 0.000 7.163) 7.171 22.899 ( 5.931 0.000 3.414) 6.844 23.100 ( -0.913 0.000 -1.710) 1.939 23.258 ( -0.186 0.000 0.805) 0.827 23.337 ( -3.281 0.000 6.092) 6.919 23.367 ( -6.292 0.000 -12.230) 13.754 23.808 ( 0.322 0.000 1.913) 1.940 23.872 ( 1.629 0.000 -4.127) 4.437 24.039 ( 1.213 0.000 3.464) 3.670 24.345 ( 4.837 0.000 0.184) 4.840 ======================= Grid point 98 (51/96) ======================= q-point: (-0.11 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.512 ( 4.773 0.000 20.502) 21.051 0.616 ( -9.279 0.000 16.532) 18.958 0.819 ( -15.996 0.000 15.161) 22.039 1.490 ( 0.156 0.000 -2.644) 2.648 1.566 ( -0.157 0.000 7.889) 7.891 1.663 ( -4.011 0.000 -3.084) 5.059 1.799 ( -3.880 0.000 13.352) 13.905 1.810 ( 6.332 0.000 5.143) 8.157 1.977 ( 0.544 0.000 -8.453) 8.471 2.023 ( 1.355 0.000 2.206) 2.589 2.047 ( 3.133 0.000 12.451) 12.839 2.152 ( -0.139 0.000 5.139) 5.141 2.242 ( -0.103 0.000 -0.334) 0.350 2.321 ( -1.793 0.000 -5.350) 5.642 2.353 ( -3.575 0.000 -2.976) 4.651 2.588 ( 5.250 0.000 -1.695) 5.517 2.663 ( 0.508 0.000 -1.532) 1.614 2.723 ( -1.851 0.000 -1.307) 2.266 2.906 ( -2.216 0.000 2.823) 3.589 2.945 ( 0.787 0.000 5.303) 5.361 2.960 ( 5.729 0.000 0.484) 5.750 3.007 ( -4.896 0.000 -0.955) 4.988 3.178 ( 1.039 0.000 -4.533) 4.650 3.293 ( 0.824 0.000 8.594) 8.633 3.389 ( 5.678 0.000 5.471) 7.885 3.547 ( 1.047 0.000 3.250) 3.414 3.573 ( 8.803 0.000 -2.342) 9.109 3.670 ( 1.369 0.000 -0.636) 1.510 3.735 ( 3.664 0.000 2.585) 4.484 3.884 ( 0.524 0.000 -0.569) 0.773 4.024 ( 1.338 0.000 -4.960) 5.138 4.088 ( 3.677 0.000 0.973) 3.804 4.189 ( 0.398 0.000 7.461) 7.471 4.237 ( -5.396 0.000 -1.766) 5.677 4.246 ( -4.640 0.000 -4.133) 6.214 4.402 ( -1.252 0.000 3.187) 3.424 4.448 ( -5.127 0.000 0.722) 5.177 4.509 ( -0.711 0.000 2.519) 2.618 4.615 ( -4.874 0.000 1.196) 5.019 4.784 ( -1.238 0.000 -1.604) 2.026 4.862 ( -1.593 0.000 -5.410) 5.640 4.924 ( 0.969 0.000 -5.807) 5.887 5.086 ( -3.364 0.000 -3.990) 5.219 5.123 ( 3.143 0.000 3.276) 4.540 5.150 ( -2.382 0.000 1.602) 2.871 5.303 ( -2.137 0.000 -2.824) 3.541 5.386 ( 2.860 0.000 -0.532) 2.909 5.430 ( 0.305 0.000 -3.626) 3.639 5.552 ( 2.941 0.000 -1.130) 3.150 5.788 ( 7.339 0.000 -3.124) 7.976 6.122 ( 1.188 0.000 -5.329) 5.460 6.154 ( 2.655 0.000 -6.806) 7.305 6.209 ( 2.879 0.000 0.677) 2.957 6.396 ( 4.889 0.000 7.324) 8.806 6.500 ( 0.597 0.000 5.434) 5.466 6.561 ( 2.246 0.000 1.858) 2.915 6.669 ( -1.005 0.000 2.355) 2.560 6.705 ( 4.333 0.000 5.368) 6.899 6.757 ( 1.007 0.000 -3.654) 3.790 6.938 ( -0.819 0.000 1.291) 1.528 8.500 ( 0.133 0.000 2.322) 2.325 8.555 ( 0.135 0.000 -5.075) 5.076 8.671 ( -1.033 0.000 -4.283) 4.406 8.763 ( 1.406 0.000 -2.329) 2.721 9.084 ( 3.744 0.000 4.988) 6.237 9.254 ( -0.211 0.000 -0.996) 1.019 9.324 ( -0.826 0.000 3.347) 3.447 9.386 ( -4.571 0.000 2.678) 5.298 9.501 ( -3.185 0.000 2.346) 3.956 9.766 ( -1.252 0.000 0.295) 1.286 9.912 ( -1.298 0.000 -6.064) 6.201 9.926 ( -0.908 0.000 -4.085) 4.185 10.208 ( -2.200 0.000 -0.879) 2.370 10.248 ( -6.003 0.000 4.635) 7.584 10.461 ( -1.701 0.000 0.053) 1.701 10.770 ( -26.294 0.000 -15.703) 30.626 11.185 ( 1.414 0.000 0.157) 1.423 11.192 ( 1.866 0.000 -0.553) 1.946 11.293 ( 5.147 0.000 2.114) 5.564 11.295 ( -0.531 0.000 -0.239) 0.582 11.921 ( 0.692 0.000 3.337) 3.407 12.088 ( 0.212 0.000 0.791) 0.819 12.171 ( 0.429 0.000 -1.650) 1.705 12.215 ( -5.448 0.000 -5.048) 7.427 20.217 ( -1.545 0.000 -1.555) 2.192 20.222 ( -0.713 0.000 -2.276) 2.385 20.738 ( 14.627 0.000 11.039) 18.325 20.798 ( 4.095 0.000 3.390) 5.316 21.553 ( -3.862 0.000 4.142) 5.663 21.910 ( 3.585 0.000 -4.793) 5.985 22.008 ( 2.903 0.000 -6.756) 7.354 22.065 ( -16.848 0.000 -7.655) 18.506 22.189 ( 3.050 0.000 1.417) 3.363 22.254 ( -0.641 0.000 -1.452) 1.588 22.278 ( -0.686 0.000 -1.618) 1.757 22.521 ( -0.680 0.000 -2.866) 2.946 22.558 ( 0.841 0.000 4.257) 4.339 22.643 ( 9.484 0.000 6.529) 11.514 22.899 ( 0.629 0.000 7.001) 7.029 23.038 ( 0.298 0.000 -1.668) 1.695 23.078 ( -0.515 0.000 0.395) 0.649 23.220 ( 4.569 0.000 1.164) 4.715 23.340 ( -3.995 0.000 4.300) 5.869 23.409 ( 13.192 0.000 8.070) 15.465 23.830 ( -0.709 0.000 2.275) 2.382 23.851 ( 2.680 0.000 -2.628) 3.754 24.113 ( 2.463 0.000 3.416) 4.212 24.400 ( 2.381 0.000 -0.710) 2.484 ======================= Grid point 99 (52/96) ======================= q-point: ( 0.00 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( -2.891 6.312 9.328) 11.628 0.833 ( -1.352 9.985 11.664) 15.413 1.206 ( 8.654 12.801 12.185) 19.678 1.321 ( -3.147 -8.130 -9.487) 12.884 1.405 ( -1.672 -7.234 1.030) 7.495 1.561 ( -1.572 -1.871 -0.690) 2.540 1.727 ( -5.671 -14.090 0.836) 15.211 1.874 ( 6.205 -3.708 4.203) 8.362 1.965 ( 2.155 7.503 -8.735) 11.715 2.085 ( -2.211 2.855 9.705) 10.355 2.123 ( -2.509 -2.078 -1.905) 3.774 2.192 ( 1.199 -1.705 3.067) 3.709 2.325 ( 5.394 -1.633 3.031) 6.399 2.381 ( 2.121 0.659 14.201) 14.374 2.390 ( -2.159 -3.222 -0.286) 3.889 2.503 ( 3.596 8.150 1.994) 9.129 2.614 ( -4.974 -0.673 1.419) 5.216 2.774 ( 0.890 -1.575 5.196) 5.501 2.898 ( -0.242 -1.325 -0.322) 1.385 2.957 ( 2.304 6.870 -0.051) 7.247 3.030 ( 1.276 -0.719 6.704) 6.862 3.109 ( 1.810 1.486 0.955) 2.529 3.209 ( 1.410 0.856 4.587) 4.874 3.409 ( -1.496 -0.563 -1.378) 2.110 3.446 ( 1.028 -2.429 2.787) 3.837 3.511 ( 0.553 0.754 2.005) 2.213 3.629 ( 0.033 -3.871 -1.025) 4.005 3.689 ( -0.343 4.163 1.408) 4.408 3.727 ( -3.105 -8.898 -3.486) 10.048 3.922 ( -3.721 3.566 -5.341) 7.422 4.062 ( 7.737 6.429 0.124) 10.060 4.106 ( -0.727 -0.913 3.045) 3.261 4.137 ( -0.294 0.963 2.773) 2.950 4.225 ( -0.968 0.135 -1.091) 1.465 4.304 ( -0.623 3.756 2.528) 4.570 4.396 ( 0.374 -2.949 0.155) 2.977 4.450 ( -2.764 -2.090 -1.685) 3.853 4.536 ( -1.019 -4.136 -2.384) 4.882 4.576 ( 0.820 5.763 0.400) 5.835 4.757 ( -0.281 2.750 -1.717) 3.254 4.765 ( -0.667 -0.632 -3.132) 3.265 4.889 ( 0.305 -0.088 -2.111) 2.135 5.027 ( 1.585 0.967 -1.364) 2.304 5.108 ( -1.746 -0.822 0.725) 2.061 5.208 ( -5.299 0.053 0.123) 5.300 5.239 ( 2.686 -0.754 1.477) 3.157 5.409 ( 0.801 0.651 -1.690) 1.980 5.452 ( 3.009 -0.655 -2.350) 3.873 5.618 ( 2.193 2.795 0.858) 3.654 5.785 ( 2.505 -2.390 -4.009) 5.297 6.066 ( -1.565 0.329 -2.824) 3.245 6.108 ( 0.694 -1.041 -4.292) 4.471 6.222 ( -1.447 1.912 0.311) 2.418 6.433 ( -0.200 -5.446 -0.733) 5.499 6.499 ( -2.010 5.072 -0.997) 5.546 6.550 ( 4.678 -1.048 -2.207) 5.278 6.645 ( -0.599 -2.608 3.667) 4.540 6.816 ( -0.330 2.042 1.997) 2.875 6.872 ( 5.143 -2.093 -3.859) 6.762 6.934 ( 0.363 -1.903 2.346) 3.042 8.518 ( -0.640 2.192 -3.061) 3.819 8.607 ( -1.096 -0.892 -1.164) 1.831 8.640 ( 1.152 7.879 -3.736) 8.796 8.798 ( 3.434 0.640 -2.165) 4.110 9.177 ( 3.720 -1.456 3.797) 5.511 9.251 ( 4.769 -3.313 2.728) 6.416 9.347 ( -2.833 2.249 0.857) 3.717 9.361 ( -4.173 1.267 0.730) 4.422 9.522 ( -1.040 2.084 2.390) 3.337 9.672 ( -1.592 -3.658 -0.994) 4.111 9.799 ( -3.122 1.392 -3.164) 4.657 9.876 ( 0.269 -2.083 -3.037) 3.692 10.199 ( -4.079 0.097 3.531) 5.396 10.287 ( -0.362 -1.336 1.230) 1.852 10.357 ( -0.068 0.266 2.323) 2.339 10.444 ( -1.022 -0.718 -0.105) 1.253 11.200 ( 0.680 0.166 0.105) 0.708 11.212 ( 1.098 0.062 -0.143) 1.109 11.282 ( 0.060 -0.754 0.413) 0.861 11.310 ( 0.868 -2.034 0.216) 2.222 11.988 ( 1.120 0.363 4.103) 4.269 12.046 ( -0.244 -2.194 1.368) 2.597 12.199 ( -1.495 4.541 -4.421) 6.512 12.214 ( -1.462 3.516 -4.875) 6.186 20.183 ( -0.611 0.529 -1.623) 1.813 20.201 ( 0.453 0.304 -2.152) 2.220 20.845 ( 1.413 -2.230 4.758) 5.442 20.897 ( 4.141 -4.690 4.557) 7.740 21.547 ( -3.365 -0.018 4.423) 5.558 21.634 ( -8.505 -6.011 5.394) 11.729 21.917 ( -1.275 1.812 -5.632) 6.052 21.987 ( 2.494 -0.623 -5.883) 6.420 22.210 ( -0.087 -0.119 0.787) 0.801 22.235 ( 0.490 1.484 -0.810) 1.760 22.278 ( 4.092 -2.034 0.190) 4.573 22.389 ( -1.082 -4.335 -3.270) 5.536 22.711 ( 0.993 5.957 4.115) 7.308 22.856 ( 4.435 1.568 2.292) 5.233 22.972 ( -0.506 0.956 2.060) 2.327 23.004 ( -2.398 0.088 3.319) 4.095 23.099 ( -0.195 1.249 0.050) 1.265 23.273 ( -2.463 -3.741 2.723) 5.242 23.328 ( 3.490 1.749 1.168) 4.074 23.493 ( 3.318 -6.585 -3.773) 8.283 23.919 ( 0.590 3.974 0.833) 4.103 24.045 ( 4.837 1.620 0.421) 5.118 24.217 ( 3.621 4.383 -1.923) 6.002 24.380 ( -0.219 -1.555 -2.725) 3.145 ======================= Grid point 100 (53/96) ======================= q-point: ( 0.11 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( -1.414 2.444 7.801) 8.296 0.994 ( 4.154 1.142 11.363) 12.152 1.135 ( -4.100 -11.096 -10.044) 15.518 1.365 ( 4.864 3.328 -3.022) 6.623 1.499 ( 1.160 -7.127 10.534) 12.771 1.551 ( 3.250 8.279 1.123) 8.964 1.682 ( 0.460 -10.424 -0.042) 10.435 1.886 ( 1.295 5.427 -9.151) 10.717 2.007 ( -0.581 3.235 -1.449) 3.592 2.048 ( 5.040 -5.279 -0.785) 7.340 2.089 ( -2.752 -0.622 -0.102) 2.823 2.278 ( 3.150 -2.509 2.866) 4.943 2.368 ( -0.745 2.142 2.819) 3.618 2.424 ( 0.102 5.255 5.642) 7.711 2.547 ( -2.117 1.727 0.989) 2.905 2.557 ( 4.621 5.925 1.862) 7.742 2.610 ( 1.749 0.074 8.317) 8.499 2.840 ( -1.900 1.019 5.660) 6.056 2.965 ( 4.253 1.647 1.544) 4.815 2.978 ( 1.954 2.468 1.780) 3.616 3.053 ( -3.283 0.772 1.485) 3.685 3.173 ( 0.491 -6.403 3.836) 7.480 3.229 ( -3.295 -0.532 -0.752) 3.421 3.340 ( -0.332 -0.256 -3.637) 3.661 3.450 ( -2.681 0.198 -1.505) 3.081 3.494 ( -4.998 1.988 0.370) 5.391 3.607 ( -4.140 -4.696 3.038) 6.959 3.658 ( 0.425 -6.091 -3.044) 6.822 3.738 ( 1.074 3.627 5.982) 7.078 3.831 ( -2.442 1.865 -2.876) 4.209 4.086 ( -3.064 4.902 1.968) 6.107 4.130 ( -5.564 -1.184 -0.215) 5.693 4.189 ( 6.095 2.380 1.832) 6.795 4.241 ( 2.088 -3.569 2.206) 4.687 4.354 ( 0.545 3.237 -0.401) 3.306 4.358 ( -0.275 -2.506 1.499) 2.933 4.436 ( 2.500 -2.313 -0.276) 3.417 4.527 ( 1.271 -2.521 0.120) 2.826 4.576 ( 2.386 1.440 -5.244) 5.939 4.696 ( 4.292 -0.465 -5.634) 7.098 4.791 ( -0.811 1.048 2.290) 2.646 4.863 ( -0.738 1.489 -0.809) 1.849 5.039 ( -4.499 1.215 -0.981) 4.762 5.089 ( -2.022 -0.260 2.510) 3.234 5.115 ( -1.541 2.234 2.178) 3.480 5.306 ( 1.932 -4.222 0.264) 4.651 5.392 ( 0.361 1.948 -2.390) 3.105 5.465 ( 2.011 -1.444 -2.389) 3.440 5.645 ( -0.329 2.030 0.501) 2.117 5.738 ( -2.207 -0.154 -4.426) 4.948 5.984 ( -5.227 0.786 -2.032) 5.663 6.032 ( -4.946 -0.867 -2.466) 5.594 6.253 ( 3.089 1.316 3.200) 4.638 6.374 ( -2.600 -0.152 -4.862) 5.516 6.452 ( -0.440 0.439 -1.739) 1.846 6.620 ( 7.049 0.520 -3.512) 7.893 6.658 ( -3.230 -3.216 1.353) 4.755 6.830 ( -1.482 -4.046 2.419) 4.941 6.876 ( 3.231 3.054 -1.980) 4.867 6.964 ( 0.251 -1.623 0.985) 1.915 8.487 ( -0.191 2.367 -1.291) 2.703 8.559 ( -0.317 2.280 -4.065) 4.672 8.622 ( -2.189 4.086 1.511) 4.875 8.805 ( 1.246 -0.542 -3.535) 3.787 9.241 ( -1.259 0.178 0.149) 1.280 9.279 ( -1.081 -0.649 -0.011) 1.261 9.316 ( 0.925 1.623 0.902) 2.074 9.431 ( 6.895 -3.039 3.660) 8.377 9.559 ( 1.564 2.136 4.433) 5.164 9.662 ( 0.067 -2.678 1.302) 2.978 9.758 ( 0.709 1.458 -2.939) 3.357 9.857 ( 2.485 -2.463 -4.419) 5.637 10.178 ( -1.452 1.881 2.274) 3.289 10.323 ( 1.872 -3.513 2.643) 4.778 10.443 ( 3.241 1.236 0.895) 3.582 10.481 ( 8.532 0.108 0.367) 8.540 11.196 ( -1.308 0.728 -0.132) 1.503 11.217 ( 0.047 0.282 -0.654) 0.713 11.286 ( -0.278 -0.947 0.375) 1.056 11.304 ( -0.570 -1.349 -1.135) 1.853 12.044 ( -0.473 -0.185 3.186) 3.226 12.054 ( -0.461 -0.432 1.685) 1.800 12.137 ( -0.620 2.813 -2.422) 3.764 12.164 ( 0.031 1.107 -2.841) 3.049 20.166 ( 0.602 0.986 -1.097) 1.594 20.195 ( 1.553 0.153 -1.653) 2.273 20.887 ( -1.679 -1.064 3.122) 3.701 20.942 ( -1.524 -3.139 0.449) 3.519 21.545 ( -4.279 -0.062 4.996) 6.579 21.592 ( -4.880 -1.834 5.882) 7.860 21.853 ( 0.404 1.716 -4.327) 4.672 21.977 ( 2.891 -2.850 -3.547) 5.390 22.225 ( 1.114 1.046 0.257) 1.550 22.241 ( 1.433 -0.085 -0.255) 1.458 22.317 ( -0.907 -2.607 -2.634) 3.815 22.359 ( 3.869 -2.884 -0.993) 4.927 22.758 ( -1.071 6.887 3.284) 7.705 22.914 ( 1.274 4.040 -1.751) 4.584 22.945 ( -2.119 1.068 0.633) 2.456 22.978 ( -0.835 0.223 0.199) 0.887 23.141 ( -3.130 -2.616 4.605) 6.152 23.268 ( 0.101 -3.497 2.626) 4.374 23.402 ( 4.171 0.836 0.141) 4.256 23.505 ( 4.876 -5.580 -4.445) 8.641 23.916 ( -2.021 5.812 0.370) 6.164 24.091 ( 1.460 -0.326 -1.142) 1.882 24.227 ( -0.100 0.737 -0.380) 0.835 24.317 ( -2.890 -1.372 -3.644) 4.849 ======================= Grid point 101 (54/96) ======================= q-point: ( 0.22 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( -1.210 0.289 9.106) 9.191 0.984 ( -3.064 -7.887 -4.895) 9.776 1.187 ( 3.494 -3.878 9.889) 11.182 1.434 ( 8.776 1.644 -1.756) 9.100 1.525 ( -1.019 -0.970 1.599) 2.130 1.672 ( 4.658 -3.843 2.676) 6.605 1.771 ( 7.106 0.141 1.702) 7.309 1.824 ( 2.701 1.051 -4.382) 5.254 1.946 ( -2.218 -3.719 -7.136) 8.347 1.995 ( 1.347 -1.094 -1.993) 2.642 2.199 ( 5.918 1.190 1.639) 6.255 2.324 ( 3.183 -1.444 -1.146) 3.679 2.419 ( -2.162 7.218 3.223) 8.195 2.439 ( -0.318 6.723 2.386) 7.140 2.547 ( 2.473 5.566 -0.937) 6.163 2.607 ( -1.826 9.049 4.000) 10.060 2.724 ( 2.647 -2.563 0.759) 3.762 2.865 ( -0.728 0.040 2.150) 2.270 2.942 ( 1.507 0.886 -4.891) 5.194 2.989 ( -4.792 0.621 -1.026) 4.939 3.063 ( -5.188 1.227 2.589) 5.927 3.101 ( -3.506 -6.095 -3.293) 7.764 3.187 ( -0.108 -4.843 -0.723) 4.898 3.319 ( -6.800 -1.458 -1.261) 7.068 3.355 ( -3.409 -1.534 0.336) 3.753 3.434 ( -0.128 1.710 -0.854) 1.916 3.522 ( -6.137 -3.605 -1.434) 7.260 3.675 ( -0.402 1.256 1.183) 1.771 3.778 ( 0.058 -4.009 -0.428) 4.032 3.834 ( 1.013 7.140 4.738) 8.629 3.996 ( -6.576 2.080 -5.234) 8.658 4.067 ( -0.963 -0.154 -0.006) 0.976 4.216 ( -1.988 1.781 -1.360) 2.995 4.266 ( -3.013 -6.943 0.202) 7.571 4.377 ( 6.927 -1.833 4.583) 8.506 4.430 ( 0.455 0.301 1.904) 1.981 4.540 ( 5.482 2.012 4.436) 7.333 4.547 ( 2.810 0.772 -1.285) 3.185 4.583 ( 4.792 -1.380 -1.615) 5.242 4.737 ( 6.167 0.547 -3.339) 7.034 4.784 ( -0.668 0.384 -0.695) 1.038 4.834 ( -2.784 1.554 -0.904) 3.314 4.988 ( -1.702 -0.657 1.399) 2.299 5.032 ( -3.513 -1.418 3.869) 5.415 5.178 ( -1.361 1.489 2.183) 2.973 5.295 ( 0.283 -2.770 -2.022) 3.441 5.387 ( 0.684 1.436 -0.277) 1.615 5.466 ( 1.930 -1.725 -1.708) 3.101 5.616 ( -3.370 1.188 -2.058) 4.124 5.637 ( -3.132 1.320 -3.383) 4.796 5.878 ( -5.752 1.337 -0.193) 5.908 5.940 ( -4.388 -0.486 -0.287) 4.424 6.258 ( -4.687 2.993 -3.902) 6.794 6.350 ( 3.177 -3.124 2.427) 5.074 6.455 ( 2.012 -2.130 -0.450) 2.964 6.570 ( -6.528 -2.581 -0.745) 7.059 6.687 ( 5.137 2.563 -1.243) 5.874 6.850 ( 1.896 -1.931 -0.074) 2.707 6.926 ( 2.089 1.423 2.026) 3.240 6.953 ( -0.774 0.152 -1.912) 2.069 8.485 ( 0.418 2.564 0.720) 2.696 8.521 ( -0.040 3.699 -1.979) 4.195 8.605 ( -2.521 1.149 2.146) 3.504 8.760 ( -0.813 -1.560 -4.284) 4.631 9.203 ( -0.306 0.527 -2.346) 2.424 9.246 ( -0.602 -0.961 -1.657) 2.008 9.397 ( 3.437 1.805 2.815) 4.795 9.528 ( 0.051 -2.572 4.775) 5.423 9.666 ( 4.607 2.064 -1.359) 5.228 9.699 ( 2.361 -0.668 3.850) 4.565 9.743 ( 0.881 0.015 0.906) 1.264 9.835 ( 1.916 -2.791 -5.802) 6.717 10.231 ( 5.923 2.619 1.379) 6.621 10.398 ( 3.985 -3.466 2.246) 5.739 10.499 ( 3.873 2.452 0.063) 4.584 10.649 ( 10.821 -3.140 1.151) 11.326 11.158 ( -3.101 1.349 -0.247) 3.390 11.200 ( -0.950 0.301 -1.091) 1.478 11.273 ( -1.460 -0.816 -0.087) 1.675 11.283 ( -1.019 -0.694 -0.437) 1.308 12.040 ( -1.727 0.668 1.018) 2.113 12.055 ( -1.166 0.138 -0.580) 1.310 12.134 ( 0.944 0.940 0.725) 1.517 12.152 ( 0.737 0.153 -0.288) 0.806 20.179 ( 1.960 1.089 -0.022) 2.243 20.211 ( 2.260 -0.035 -0.605) 2.340 20.863 ( -3.798 -0.788 -0.197) 3.884 20.878 ( -5.055 -1.294 -1.961) 5.574 21.539 ( -4.084 0.969 5.700) 7.078 21.603 ( -3.190 -0.896 5.940) 6.802 21.829 ( 1.738 1.055 -3.022) 3.642 21.984 ( 1.274 -5.065 -1.243) 5.368 22.236 ( 0.161 0.486 -0.759) 0.916 22.263 ( 0.946 -1.214 -0.787) 1.729 22.288 ( 2.986 1.204 -1.636) 3.611 22.418 ( 4.138 -3.433 -0.506) 5.401 22.743 ( -2.998 5.507 0.138) 6.271 22.862 ( -1.032 3.676 -4.063) 5.576 22.965 ( 0.122 1.746 1.997) 2.656 22.973 ( -1.687 -0.490 1.210) 2.133 23.098 ( -3.960 -1.308 0.713) 4.231 23.320 ( 1.667 -6.057 1.670) 6.500 23.450 ( 4.106 1.700 -2.486) 5.092 23.549 ( 5.576 -2.094 -2.350) 6.403 23.866 ( -3.273 6.452 -1.504) 7.390 24.064 ( -1.150 -0.837 -3.447) 3.729 24.205 ( -3.022 -1.294 -1.243) 3.514 24.238 ( -2.781 -1.007 0.124) 2.960 ======================= Grid point 102 (55/96) ======================= q-point: ( 0.33 0.25 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( 0.539 0.107 -0.722) 0.907 1.045 ( -0.785 -0.035 11.826) 11.852 1.325 ( 1.201 -3.580 8.802) 9.578 1.495 ( 4.758 0.040 -5.191) 7.042 1.640 ( 8.880 2.501 6.479) 11.274 1.744 ( -3.024 -6.058 2.496) 7.216 1.779 ( -4.818 -4.850 -1.575) 7.016 1.867 ( 8.600 -2.379 -0.979) 8.977 1.955 ( 10.887 -0.462 -4.190) 11.675 2.000 ( 2.984 -3.722 -3.853) 6.132 2.256 ( 2.708 3.172 -4.424) 6.079 2.326 ( -0.916 0.750 -5.238) 5.370 2.408 ( 1.888 6.435 -0.346) 6.715 2.453 ( -1.337 5.048 -1.987) 5.587 2.537 ( -5.862 6.901 3.101) 9.571 2.621 ( 3.417 4.798 -1.932) 6.199 2.701 ( -1.608 -2.039 -6.253) 6.771 2.811 ( -1.944 1.359 -5.978) 6.431 2.854 ( -5.989 0.535 -3.213) 6.817 2.914 ( -3.376 2.677 -1.632) 4.607 3.021 ( -0.216 -1.920 1.266) 2.310 3.053 ( 0.452 -4.068 -1.898) 4.511 3.117 ( -6.350 -4.650 -1.807) 8.075 3.236 ( -5.067 -7.104 0.566) 8.744 3.285 ( -0.660 3.533 -2.597) 4.434 3.416 ( -5.204 -2.639 -1.701) 6.078 3.459 ( 0.456 -0.402 1.294) 1.430 3.660 ( -2.872 5.977 0.752) 6.674 3.751 ( -3.052 1.983 -1.553) 3.957 3.843 ( -4.797 0.990 -3.790) 6.193 3.899 ( 2.042 2.538 1.343) 3.523 4.066 ( 0.284 0.497 0.960) 1.118 4.168 ( -1.990 -0.695 -0.605) 2.193 4.248 ( 0.055 -6.260 2.057) 6.589 4.420 ( -1.082 -1.191 -1.037) 1.915 4.525 ( 2.452 -3.987 0.214) 4.685 4.573 ( 3.243 2.479 2.562) 4.819 4.614 ( 2.605 1.626 0.671) 3.143 4.674 ( 2.375 0.337 0.355) 2.425 4.760 ( 1.284 3.032 0.108) 3.294 4.784 ( 0.389 2.015 -0.048) 2.053 4.824 ( 5.036 -1.157 -1.021) 5.267 4.981 ( -2.331 -0.671 2.983) 3.845 5.070 ( -2.857 -2.223 2.100) 4.185 5.139 ( 0.901 -1.627 0.979) 2.102 5.288 ( -0.372 -4.237 -1.331) 4.456 5.397 ( 0.086 2.162 1.441) 2.600 5.490 ( 0.897 -0.637 -0.815) 1.370 5.528 ( -0.918 2.057 -2.134) 3.103 5.573 ( -2.025 -2.132 -1.621) 3.358 5.841 ( -1.377 3.068 3.673) 4.979 5.898 ( -1.798 0.582 1.678) 2.527 6.152 ( -4.369 5.013 -1.870) 6.908 6.396 ( 0.410 -5.325 0.879) 5.412 6.450 ( -3.190 -3.655 -2.704) 5.554 6.501 ( -0.516 -2.646 0.988) 2.871 6.739 ( 2.133 4.442 -0.540) 4.957 6.862 ( 0.659 -0.476 -1.399) 1.618 6.930 ( 1.757 1.188 -1.684) 2.708 6.967 ( 0.854 0.539 0.736) 1.250 8.497 ( -0.534 4.254 -0.323) 4.299 8.523 ( 0.847 2.284 2.544) 3.522 8.609 ( -0.587 -0.141 3.122) 3.180 8.700 ( -0.336 -1.966 -3.813) 4.303 9.184 ( 1.430 0.334 -2.805) 3.166 9.231 ( 0.942 -1.249 -1.297) 2.032 9.444 ( -0.038 1.485 -0.581) 1.595 9.562 ( -2.528 -2.843 4.641) 6.001 9.663 ( 2.285 2.260 -3.345) 4.639 9.742 ( -0.989 0.043 1.688) 1.957 9.789 ( -0.995 -0.631 -1.935) 2.266 9.842 ( 5.925 -1.207 1.341) 6.194 10.376 ( 9.434 1.115 1.363) 9.597 10.480 ( 3.588 -2.324 0.960) 4.382 10.558 ( 4.334 3.760 -0.331) 5.747 10.822 ( 8.184 -6.520 2.851) 10.845 11.107 ( -3.267 2.425 0.568) 4.108 11.170 ( -1.013 0.249 -1.177) 1.572 11.243 ( -2.820 -0.385 -0.305) 2.863 11.266 ( -0.311 -0.913 0.454) 1.066 12.020 ( -1.742 0.362 0.003) 1.779 12.027 ( -0.296 0.051 -1.735) 1.761 12.158 ( 0.647 0.847 1.389) 1.751 12.175 ( 0.478 0.566 2.164) 2.287 20.221 ( 2.623 0.794 0.917) 2.889 20.248 ( 2.430 -0.173 0.518) 2.491 20.755 ( -5.731 -0.362 -4.401) 7.235 20.770 ( -4.778 -0.697 -4.381) 6.520 21.551 ( -3.299 1.593 6.276) 7.267 21.618 ( -3.889 -0.196 5.925) 7.090 21.830 ( 2.161 0.317 -2.437) 3.273 21.989 ( 0.212 -5.921 0.509) 5.947 22.231 ( 1.022 0.505 -0.589) 1.283 22.275 ( 1.095 -0.405 -0.080) 1.170 22.329 ( 3.669 2.156 -1.489) 4.508 22.472 ( 3.592 -3.509 -0.178) 5.024 22.693 ( -1.613 3.119 -1.928) 4.006 22.808 ( -0.157 2.624 -3.618) 4.472 22.917 ( -4.665 -1.010 -1.359) 4.963 22.977 ( -1.042 -0.146 0.609) 1.216 23.092 ( 0.662 2.025 2.611) 3.369 23.339 ( 0.911 -5.123 -1.792) 5.504 23.467 ( 2.297 3.632 -3.966) 5.848 23.604 ( 4.660 -1.575 -2.334) 5.445 23.804 ( -1.615 5.318 -1.629) 5.792 23.992 ( -1.932 -1.753 -4.356) 5.078 24.140 ( -1.816 0.205 -1.849) 2.600 24.209 ( -3.567 -1.819 1.633) 4.324 ======================= Grid point 103 (56/96) ======================= q-point: (-0.56 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( 6.439 4.122 -0.328) 7.653 1.173 ( -1.057 -0.335 12.956) 13.004 1.422 ( 0.792 -3.810 3.758) 5.410 1.513 ( -2.736 0.546 1.552) 3.193 1.597 ( -7.990 -2.856 -2.619) 8.880 1.727 ( -4.083 -4.381 0.871) 6.052 1.846 ( 6.742 2.820 2.980) 7.893 1.971 ( 2.353 -0.566 -4.237) 4.879 2.037 ( 3.671 -5.787 -1.842) 7.096 2.047 ( 9.964 -0.685 -2.567) 10.312 2.139 ( -3.887 2.041 -12.510) 13.258 2.212 ( -0.042 -0.717 -13.197) 13.217 2.348 ( 3.680 0.441 -7.329) 8.213 2.418 ( -6.515 4.918 -1.518) 8.303 2.492 ( -4.025 2.861 2.110) 5.371 2.567 ( -0.049 0.473 -5.681) 5.701 2.676 ( -0.982 2.834 -0.424) 3.030 2.694 ( -0.631 -1.239 -0.354) 1.435 2.804 ( -1.535 -1.195 -2.427) 3.110 2.850 ( -3.579 -0.456 0.167) 3.612 2.980 ( 0.039 -0.612 -1.523) 1.642 3.047 ( 0.114 -3.338 -2.367) 4.094 3.055 ( -2.409 -4.060 -1.315) 4.900 3.174 ( -2.712 -3.651 -0.296) 4.558 3.253 ( 0.527 3.383 -4.087) 5.332 3.349 ( -0.493 -0.675 -1.476) 1.697 3.462 ( -0.580 4.982 0.307) 5.025 3.565 ( -4.631 4.477 -2.809) 7.027 3.716 ( -3.998 2.446 -2.906) 5.514 3.773 ( -0.303 5.525 5.281) 7.649 3.908 ( -0.064 1.263 -3.764) 3.970 4.091 ( -0.244 0.400 4.483) 4.508 4.185 ( 2.181 -2.161 1.329) 3.346 4.291 ( 1.633 -5.150 2.159) 5.818 4.360 ( -4.126 -3.182 -0.767) 5.266 4.535 ( 0.738 -2.912 0.617) 3.067 4.605 ( -2.574 5.365 -0.814) 6.006 4.659 ( 3.055 0.442 0.173) 3.091 4.699 ( 0.573 0.656 1.561) 1.788 4.775 ( -0.099 0.059 -0.857) 0.865 4.823 ( 4.928 1.207 0.128) 5.076 4.905 ( 3.496 -0.778 -0.832) 3.677 4.962 ( -3.588 0.335 2.258) 4.253 5.028 ( -1.256 -0.817 2.161) 2.630 5.169 ( -0.871 -6.566 -0.756) 6.666 5.263 ( -1.006 -5.395 0.223) 5.492 5.436 ( 2.229 2.688 1.626) 3.852 5.483 ( -0.418 2.188 0.804) 2.368 5.524 ( 2.283 0.894 -0.130) 2.455 5.575 ( 2.648 -2.089 -1.706) 3.779 5.906 ( 1.571 1.941 6.524) 6.986 5.926 ( 0.720 1.320 4.415) 4.664 6.095 ( -1.047 6.718 -0.255) 6.804 6.320 ( -3.843 -1.882 -5.438) 6.920 6.429 ( -0.116 -2.695 0.755) 2.801 6.504 ( 0.866 -5.095 -1.253) 5.318 6.743 ( -0.318 3.602 -0.034) 3.616 6.854 ( -0.032 -0.829 -1.640) 1.838 6.944 ( 0.890 0.837 -0.832) 1.479 6.974 ( 1.053 0.607 -1.473) 1.910 8.483 ( -0.523 3.797 -0.090) 3.834 8.578 ( 1.195 2.692 3.629) 4.673 8.642 ( 0.703 -1.893 0.784) 2.167 8.685 ( 1.362 -0.651 1.137) 1.889 9.175 ( 1.854 0.710 -3.268) 3.824 9.250 ( 2.139 -1.810 0.426) 2.834 9.377 ( -3.689 1.899 -5.040) 6.528 9.545 ( -3.893 -4.734 0.295) 6.136 9.685 ( 0.586 0.752 1.185) 1.520 9.708 ( -1.637 0.032 -0.480) 1.706 9.788 ( -0.425 2.953 2.123) 3.662 9.928 ( 5.022 -1.859 -0.809) 5.416 10.474 ( 1.672 -0.516 -0.247) 1.767 10.514 ( 0.533 -0.953 -0.554) 1.225 10.660 ( 7.260 4.181 2.351) 8.701 10.927 ( 0.493 -5.662 2.658) 6.274 11.075 ( -3.517 2.621 0.721) 4.446 11.149 ( 0.858 0.243 -1.412) 1.670 11.208 ( -0.018 -0.854 0.701) 1.105 11.284 ( 0.792 -2.978 1.527) 3.440 11.988 ( -1.828 0.239 -0.697) 1.971 12.009 ( 0.443 -0.601 -1.682) 1.840 12.191 ( 0.897 1.762 2.536) 3.216 12.209 ( 0.096 1.464 3.045) 3.380 20.270 ( 1.792 0.382 1.249) 2.218 20.291 ( 1.787 -0.395 1.126) 2.149 20.615 ( -4.187 0.016 -6.325) 7.585 20.637 ( -2.893 -0.367 -7.425) 7.977 21.574 ( -3.088 1.267 5.867) 6.750 21.622 ( -4.289 0.083 6.314) 7.633 21.837 ( 2.149 1.206 -1.817) 3.062 22.010 ( 1.406 -5.120 1.177) 5.438 22.249 ( 1.343 0.102 -0.395) 1.403 22.291 ( 0.657 -0.718 0.309) 1.021 22.363 ( 2.394 3.222 0.091) 4.015 22.526 ( 3.104 -3.471 0.656) 4.702 22.651 ( -0.655 1.377 -2.633) 3.043 22.775 ( 0.279 1.436 -2.750) 3.115 22.822 ( -3.539 -1.037 -3.910) 5.374 22.956 ( -1.003 -2.210 -1.409) 2.806 23.149 ( 1.011 2.515 4.260) 5.049 23.304 ( -1.875 -1.938 -3.378) 4.323 23.433 ( 1.187 5.539 -5.313) 7.766 23.637 ( 2.971 -2.806 -2.014) 4.556 23.793 ( 1.682 3.992 -0.761) 4.399 23.919 ( -0.579 -1.397 -4.896) 5.124 24.118 ( 1.187 0.018 -0.877) 1.476 24.160 ( -4.093 -1.424 0.220) 4.339 ======================= Grid point 104 (57/96) ======================= q-point: (-0.44 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( 6.172 2.004 -1.922) 6.768 1.263 ( -13.849 3.218 -1.259) 14.274 1.317 ( 1.906 -5.604 -0.906) 5.988 1.373 ( -12.569 4.021 -1.255) 13.256 1.560 ( -2.958 -5.437 4.646) 7.740 1.704 ( -4.019 -4.754 -5.525) 8.323 1.783 ( -0.426 5.126 -6.399) 8.210 1.872 ( -7.635 1.914 -5.016) 9.333 1.986 ( -0.915 1.760 -3.151) 3.723 2.007 ( -3.598 -1.379 -6.742) 7.765 2.127 ( 3.260 -2.743 -0.003) 4.260 2.196 ( 7.017 -1.419 0.731) 7.197 2.293 ( -4.072 0.745 -1.301) 4.339 2.365 ( -0.129 -0.426 -5.673) 5.691 2.454 ( -3.684 1.890 0.540) 4.176 2.509 ( 2.759 0.489 -1.562) 3.208 2.672 ( 2.998 -2.266 -0.071) 3.759 2.731 ( 0.340 -3.023 -1.120) 3.242 2.741 ( 1.587 -4.309 -2.868) 5.414 2.860 ( -1.034 -3.394 6.936) 7.791 2.940 ( -3.609 -2.860 -4.419) 6.382 2.989 ( 0.746 -3.080 -1.503) 3.507 3.071 ( 1.517 0.601 0.012) 1.631 3.129 ( 0.429 2.333 -1.793) 2.974 3.210 ( 0.835 2.627 -4.600) 5.363 3.314 ( -0.668 0.916 -4.855) 4.986 3.494 ( 3.672 9.107 2.059) 10.033 3.509 ( -1.877 1.117 0.651) 2.279 3.673 ( 3.382 2.664 -1.605) 4.595 3.816 ( -1.542 6.472 1.617) 6.847 3.891 ( 2.190 0.325 2.374) 3.246 4.120 ( -2.978 5.440 2.242) 6.595 4.198 ( -0.205 -2.720 -1.729) 3.230 4.305 ( 0.486 -4.857 0.180) 4.885 4.383 ( 1.661 -5.647 6.622) 8.860 4.527 ( -3.200 2.666 -1.486) 4.422 4.579 ( 0.553 -1.148 1.392) 1.887 4.639 ( -3.709 -0.396 -2.052) 4.258 4.715 ( -0.391 2.401 1.075) 2.660 4.767 ( -2.798 3.870 0.624) 4.816 4.856 ( 3.308 -5.459 -2.988) 7.048 4.913 ( 0.365 -3.418 0.485) 3.472 4.983 ( 0.493 0.405 2.866) 2.936 5.066 ( 2.715 -0.735 1.176) 3.049 5.155 ( 1.292 -2.641 1.556) 3.327 5.280 ( 1.931 -0.689 -1.278) 2.416 5.438 ( -1.450 0.666 -0.679) 1.734 5.469 ( -1.407 -0.714 -2.363) 2.841 5.543 ( -0.161 2.038 -0.477) 2.100 5.649 ( 6.886 -0.699 0.823) 6.970 5.985 ( 0.641 1.310 4.182) 4.429 6.028 ( 3.021 0.461 6.922) 7.567 6.113 ( 2.271 5.023 -0.159) 5.515 6.239 ( 0.444 2.049 -1.922) 2.844 6.416 ( -0.339 -2.807 -2.046) 3.490 6.503 ( 2.052 -4.505 -3.360) 5.983 6.733 ( -1.877 1.835 0.807) 2.747 6.812 ( -2.950 -1.966 -1.373) 3.802 6.933 ( 0.061 1.908 -1.919) 2.707 6.969 ( 1.020 0.401 -2.478) 2.710 8.484 ( 0.393 3.985 0.509) 4.036 8.619 ( 2.261 1.588 -1.602) 3.194 8.673 ( 1.218 -1.581 3.426) 3.965 8.737 ( 0.663 -0.630 3.209) 3.337 9.176 ( 2.627 1.799 -2.005) 3.763 9.240 ( -4.439 2.056 -6.245) 7.933 9.305 ( 1.838 -2.047 2.710) 3.862 9.454 ( -4.534 -5.912 -3.941) 8.429 9.660 ( -4.771 2.102 3.228) 6.132 9.712 ( -2.345 -1.297 2.388) 3.589 9.825 ( 3.428 3.748 0.566) 5.111 9.983 ( 4.636 -2.194 -2.335) 5.636 10.468 ( -1.351 -0.359 0.277) 1.425 10.485 ( -3.239 -0.700 -0.750) 3.398 10.777 ( 1.193 1.891 5.659) 6.085 10.879 ( -7.991 -1.106 -2.024) 8.317 11.044 ( 1.028 2.775 1.213) 3.199 11.154 ( 1.694 0.692 -1.715) 2.508 11.256 ( 2.150 -3.567 2.122) 4.674 11.311 ( 0.685 -6.319 0.437) 6.371 11.951 ( -1.905 0.479 -0.674) 2.077 12.001 ( 0.562 -1.814 -1.196) 2.244 12.238 ( 0.481 3.231 2.817) 4.314 12.256 ( 2.079 2.937 3.431) 4.972 20.295 ( -0.401 0.106 1.050) 1.129 20.315 ( -0.288 -0.721 0.402) 0.874 20.495 ( -1.390 0.750 -6.848) 7.027 20.543 ( 1.793 -0.658 -6.306) 6.588 21.584 ( -3.167 0.766 4.468) 5.530 21.637 ( -3.751 -1.565 7.057) 8.144 21.866 ( 3.108 3.641 0.102) 4.788 22.052 ( 2.912 -3.633 -0.126) 4.658 22.246 ( -0.617 -0.264 -1.185) 1.362 22.289 ( -0.699 -0.282 -0.459) 0.882 22.431 ( 3.127 2.570 4.513) 6.062 22.581 ( 1.976 -1.697 1.091) 2.824 22.607 ( -0.776 -1.221 -2.275) 2.696 22.707 ( -3.959 -3.338 -6.141) 8.033 22.755 ( 0.512 2.673 -2.417) 3.640 22.913 ( -1.000 -3.216 -3.697) 5.001 23.206 ( 0.061 0.732 3.015) 3.104 23.222 ( -3.040 0.953 -1.743) 3.631 23.409 ( 1.494 6.736 -2.313) 7.277 23.648 ( 1.436 -4.117 -2.523) 5.037 23.824 ( 3.874 3.272 -1.962) 5.437 23.860 ( 0.292 0.426 -4.941) 4.967 24.098 ( -3.275 0.157 -0.528) 3.321 24.156 ( 4.345 -1.283 -0.256) 4.537 ======================= Grid point 105 (58/96) ======================= q-point: (-0.33 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( -16.542 4.925 -14.445) 22.507 1.076 ( -8.541 -0.205 0.649) 8.568 1.185 ( -6.588 4.771 0.494) 8.149 1.378 ( -2.139 -6.745 1.315) 7.197 1.474 ( -12.152 -0.440 -0.374) 12.165 1.573 ( -1.253 2.117 3.137) 3.986 1.686 ( -7.640 4.048 0.762) 8.679 1.812 ( 1.246 3.236 0.501) 3.504 1.944 ( 0.369 0.627 -1.610) 1.766 1.975 ( 2.741 -2.288 -0.110) 3.572 2.162 ( -0.741 -4.591 -0.620) 4.692 2.179 ( -7.824 -6.975 -3.626) 11.091 2.246 ( 1.064 1.448 -5.011) 5.323 2.309 ( 2.300 -2.864 0.619) 3.725 2.403 ( -2.702 1.721 3.323) 4.616 2.606 ( 4.288 3.068 -1.299) 5.430 2.650 ( -1.444 -3.430 -1.031) 3.862 2.748 ( 0.130 -3.098 2.901) 4.246 2.792 ( -4.432 -1.340 -3.180) 5.617 2.831 ( 7.074 -7.272 2.553) 10.461 2.932 ( -0.654 -0.119 -2.608) 2.691 3.006 ( 1.645 -2.556 4.266) 5.238 3.069 ( 2.685 0.772 -3.235) 4.274 3.189 ( 4.285 1.375 2.864) 5.334 3.205 ( 3.840 -0.929 -1.613) 4.268 3.255 ( 1.956 3.705 -4.235) 5.958 3.510 ( 1.966 2.933 -1.096) 3.698 3.580 ( 2.295 7.683 3.497) 8.748 3.736 ( 4.988 5.329 -0.694) 7.332 3.857 ( 5.997 -1.063 1.702) 6.324 3.969 ( 0.677 1.199 4.642) 4.842 4.068 ( -3.470 7.066 -0.241) 7.876 4.167 ( -0.365 -1.663 -2.214) 2.793 4.327 ( 1.117 -1.323 -0.605) 1.834 4.436 ( -5.907 1.499 -1.007) 6.176 4.474 ( -0.359 -3.591 4.122) 5.479 4.544 ( -4.268 -1.203 0.891) 4.523 4.621 ( 0.163 -1.607 2.462) 2.945 4.694 ( -2.410 -0.001 -0.223) 2.420 4.716 ( -2.588 5.919 -0.907) 6.523 4.875 ( 2.641 -5.209 -3.588) 6.854 4.937 ( 1.113 -4.308 1.874) 4.828 5.026 ( 1.976 -1.166 2.060) 3.084 5.136 ( 4.345 -2.740 -0.266) 5.144 5.188 ( -1.319 1.113 -2.531) 3.063 5.275 ( 4.064 4.143 -0.596) 5.835 5.363 ( -5.719 -2.162 -1.742) 6.357 5.455 ( 1.435 -3.196 -0.207) 3.509 5.551 ( 1.635 4.431 -0.125) 4.725 5.726 ( 4.236 -2.466 -3.717) 6.152 6.043 ( 2.352 1.509 2.959) 4.070 6.130 ( 1.528 5.129 0.042) 5.351 6.149 ( 3.885 -0.834 3.166) 5.080 6.268 ( 2.846 3.955 -1.984) 5.261 6.399 ( 0.632 -3.450 0.544) 3.549 6.486 ( 2.515 -2.898 -5.145) 6.418 6.696 ( -4.072 1.081 0.993) 4.329 6.751 ( -4.170 -1.927 0.962) 4.694 6.904 ( -0.376 2.531 -3.118) 4.034 6.951 ( 0.091 -0.328 -1.916) 1.946 8.506 ( 1.377 4.623 0.744) 4.881 8.624 ( 2.842 0.973 -4.025) 5.023 8.738 ( 1.143 -1.264 3.819) 4.181 8.758 ( -0.554 -0.969 0.170) 1.129 9.105 ( -4.151 2.625 -4.719) 6.811 9.215 ( 3.009 1.936 0.762) 3.658 9.338 ( -4.071 -5.134 -3.322) 7.346 9.370 ( 0.442 -2.079 4.211) 4.717 9.619 ( -4.807 2.315 2.412) 5.855 9.693 ( -2.670 -1.911 2.089) 3.892 9.889 ( 4.001 2.971 -0.037) 4.983 10.015 ( 3.652 -1.712 -3.413) 5.284 10.410 ( -5.822 0.434 0.525) 5.862 10.451 ( -1.945 -0.572 1.061) 2.288 10.664 ( -12.824 1.530 -3.823) 13.469 10.860 ( -2.076 -4.146 8.739) 9.893 11.094 ( 2.899 1.141 -0.032) 3.115 11.164 ( 1.939 0.709 -1.359) 2.472 11.289 ( -0.428 -4.319 -0.588) 4.380 11.296 ( -0.886 -7.238 -1.477) 7.440 11.920 ( -1.553 0.804 0.138) 1.754 12.001 ( 0.591 -3.039 -0.317) 3.112 12.269 ( 1.002 5.313 0.674) 5.449 12.346 ( 4.363 3.552 2.754) 6.264 20.283 ( -1.942 -0.190 0.361) 1.984 20.290 ( -1.948 -0.828 -0.911) 2.304 20.426 ( 0.629 2.778 -3.835) 4.777 20.556 ( 5.311 -2.064 -1.701) 5.947 21.582 ( -3.492 0.531 4.178) 5.471 21.666 ( -2.704 -4.465 6.753) 8.535 21.935 ( 4.419 4.928 1.873) 6.879 22.079 ( 3.138 -0.838 -4.035) 5.180 22.219 ( -1.650 -1.406 0.767) 2.300 22.269 ( -1.134 -0.738 -0.734) 1.539 22.528 ( -3.472 -0.280 0.310) 3.497 22.544 ( -0.053 0.252 -2.501) 2.515 22.553 ( -1.823 -0.233 -2.935) 3.463 22.657 ( 3.179 -2.618 2.453) 4.794 22.744 ( 0.136 0.873 -0.488) 1.009 22.845 ( -0.929 -2.981 -4.625) 5.580 23.163 ( -1.720 2.445 -0.281) 3.002 23.249 ( -0.139 -0.987 2.852) 3.021 23.418 ( 0.068 6.839 1.331) 6.968 23.597 ( -1.141 -1.830 -7.865) 8.155 23.828 ( 2.559 2.633 -2.991) 4.736 23.862 ( 3.427 0.406 -2.368) 4.185 24.064 ( -0.425 3.393 0.224) 3.427 24.235 ( 5.788 -2.144 -0.032) 6.172 ======================= Grid point 106 (59/96) ======================= q-point: (-0.22 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( -7.207 13.952 2.527) 15.905 0.887 ( -15.720 11.164 5.100) 19.944 1.163 ( -16.168 3.669 5.672) 17.523 1.229 ( -4.655 -2.184 10.629) 11.808 1.416 ( -2.272 -12.217 3.993) 13.052 1.624 ( 0.440 6.262 3.693) 7.283 1.721 ( 3.461 1.035 7.061) 7.931 1.829 ( -0.571 2.366 -0.575) 2.501 1.912 ( -2.922 -3.281 0.638) 4.439 1.972 ( -0.068 -2.592 -4.583) 5.266 2.090 ( -0.286 -5.804 -1.165) 5.926 2.134 ( 0.512 -3.178 1.663) 3.624 2.209 ( 1.818 2.530 -5.003) 5.894 2.345 ( 0.588 -4.454 -2.246) 5.023 2.405 ( -2.209 -1.043 3.434) 4.214 2.549 ( -4.108 4.251 -2.126) 6.282 2.678 ( 0.153 -8.026 3.295) 8.677 2.712 ( -2.261 -2.976 0.280) 3.748 2.806 ( 1.388 4.775 3.324) 5.981 2.890 ( -0.001 0.803 -1.817) 1.986 2.952 ( 4.451 1.157 1.578) 4.862 3.020 ( -3.385 -6.346 3.283) 7.906 3.165 ( 9.137 0.966 -0.422) 9.197 3.179 ( 0.453 3.081 -1.358) 3.398 3.305 ( 5.719 -2.996 1.945) 6.743 3.385 ( 11.278 -2.844 2.859) 11.977 3.510 ( 0.206 7.408 -2.086) 7.699 3.646 ( 1.315 6.773 3.170) 7.593 3.816 ( 4.934 0.985 0.053) 5.031 3.975 ( 3.401 2.673 -0.431) 4.347 3.988 ( 1.758 -2.870 1.100) 3.541 4.039 ( -1.867 -2.022 1.770) 3.272 4.151 ( 1.349 7.687 -2.997) 8.360 4.285 ( -2.250 -0.358 -4.174) 4.755 4.365 ( -2.930 3.433 2.047) 4.955 4.455 ( -4.296 -2.780 1.081) 5.230 4.526 ( -1.116 1.487 1.024) 2.123 4.629 ( -5.619 0.666 4.602) 7.293 4.643 ( -1.657 3.351 -4.628) 5.949 4.699 ( 0.812 -3.170 2.068) 3.871 4.870 ( 3.004 -4.076 -4.315) 6.652 4.946 ( -0.271 -3.047 -2.176) 3.754 5.080 ( -1.714 -0.153 -1.581) 2.337 5.092 ( 2.227 -0.638 0.933) 2.498 5.185 ( -2.517 -2.760 -2.424) 4.453 5.290 ( 2.159 -0.965 -0.379) 2.395 5.362 ( 2.979 0.579 0.752) 3.127 5.460 ( 1.039 -2.415 -2.135) 3.387 5.587 ( 3.280 3.952 -1.688) 5.406 5.707 ( 1.703 -1.005 -3.898) 4.371 6.110 ( 1.789 0.486 0.692) 1.979 6.152 ( 2.190 0.017 -3.299) 3.960 6.213 ( 4.619 5.285 -1.578) 7.194 6.270 ( 2.878 3.483 -1.271) 4.694 6.445 ( 1.429 -2.576 2.328) 3.754 6.498 ( 3.472 -2.863 0.976) 4.605 6.662 ( -2.899 1.070 3.231) 4.471 6.703 ( -4.596 -0.707 2.644) 5.350 6.853 ( -0.832 2.993 -3.520) 4.695 6.932 ( -0.876 -1.177 -0.414) 1.525 8.542 ( 2.470 5.121 0.335) 5.695 8.615 ( 2.015 1.348 -4.267) 4.907 8.728 ( -0.938 -0.223 -2.674) 2.843 8.779 ( 1.116 -0.766 -0.404) 1.413 9.031 ( -1.475 1.870 0.410) 2.417 9.224 ( -2.005 -4.708 -1.581) 5.356 9.309 ( 1.307 1.995 2.943) 3.788 9.410 ( -2.478 -0.671 5.020) 5.638 9.569 ( -3.862 2.303 0.767) 4.561 9.692 ( 0.085 -3.606 1.114) 3.775 9.933 ( 2.184 2.012 -1.170) 3.192 10.010 ( 1.422 -0.738 -4.843) 5.101 10.334 ( -5.874 2.213 2.432) 6.731 10.381 ( -10.464 3.169 -2.437) 11.201 10.466 ( -4.508 -2.127 -0.297) 4.994 10.860 ( -11.616 -19.041 2.504) 22.444 11.118 ( 2.119 1.106 -0.394) 2.422 11.178 ( 1.258 -0.392 -0.977) 1.640 11.234 ( -0.250 -1.162 -0.792) 1.428 11.292 ( -0.596 -1.899 0.089) 1.992 11.911 ( -0.692 1.118 1.419) 1.934 12.012 ( 0.656 -3.643 0.522) 3.738 12.279 ( 1.050 6.371 -2.043) 6.773 12.411 ( 3.440 3.073 -4.395) 6.371 20.251 ( -1.824 -0.319 -0.600) 1.947 20.256 ( -1.494 -0.526 -0.445) 1.645 20.458 ( 3.769 3.586 6.102) 8.019 20.648 ( 5.783 -3.218 2.102) 6.944 21.571 ( -4.081 0.409 4.167) 5.847 21.701 ( -2.686 -8.272 5.969) 10.548 22.028 ( 4.586 2.347 -1.523) 5.372 22.070 ( 3.548 1.174 -2.656) 4.585 22.204 ( -3.014 -2.797 -1.533) 4.389 22.231 ( -1.225 -1.341 -0.405) 1.861 22.372 ( -5.574 0.622 -5.791) 8.062 22.470 ( -1.908 -2.903 -1.660) 3.850 22.622 ( 1.377 3.387 1.477) 3.943 22.707 ( 0.645 3.578 -1.513) 3.938 22.773 ( 1.900 -2.916 6.285) 7.184 22.844 ( 3.590 -2.577 2.614) 5.135 23.157 ( 0.535 2.645 0.607) 2.766 23.269 ( -1.368 -2.370 2.481) 3.694 23.415 ( -3.870 3.651 -2.451) 5.858 23.468 ( -0.101 6.347 -5.395) 8.331 23.849 ( 3.154 2.648 -1.985) 4.571 23.889 ( 3.550 1.120 -1.157) 3.898 24.093 ( 3.031 5.743 0.866) 6.551 24.321 ( 5.347 -2.274 -0.270) 5.817 ======================= Grid point 107 (60/96) ======================= q-point: (-0.11 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( 2.625 14.267 12.651) 19.248 0.778 ( -9.378 12.262 10.983) 18.946 1.013 ( -8.870 14.878 12.212) 21.194 1.356 ( -1.518 -8.150 8.935) 12.188 1.436 ( 0.385 -14.287 1.701) 14.393 1.606 ( -2.366 2.549 -3.368) 4.841 1.770 ( -0.901 -4.160 -1.954) 4.683 1.851 ( -4.752 -5.127 2.699) 7.493 1.906 ( 1.635 -1.338 11.807) 11.994 2.006 ( 3.715 1.206 -1.192) 4.083 2.094 ( 2.871 -1.709 3.498) 4.837 2.194 ( 0.693 0.746 -0.256) 1.050 2.217 ( 0.899 2.222 6.219) 6.665 2.275 ( 1.421 -3.968 -6.155) 7.460 2.418 ( -2.839 -1.282 3.838) 4.943 2.482 ( -0.854 4.612 -2.208) 5.184 2.668 ( -4.671 -4.819 2.510) 7.165 2.729 ( 0.783 -2.020 1.624) 2.708 2.876 ( 3.164 5.276 2.764) 6.744 2.910 ( 1.353 -0.936 3.511) 3.878 2.977 ( -2.346 -3.729 -0.048) 4.406 3.052 ( 4.126 4.819 1.997) 6.651 3.159 ( -1.689 0.492 2.866) 3.362 3.334 ( 8.088 -0.171 2.290) 8.408 3.402 ( 3.591 -4.990 1.436) 6.313 3.491 ( -0.270 7.226 0.153) 7.233 3.571 ( 8.412 -4.923 0.560) 9.763 3.680 ( -0.526 4.627 1.888) 5.025 3.825 ( -2.062 -5.732 -3.682) 7.118 3.979 ( 3.171 4.250 -2.180) 5.734 4.024 ( 2.216 -3.205 -1.407) 4.143 4.075 ( -1.096 2.013 -3.598) 4.266 4.106 ( -0.130 4.912 4.360) 6.569 4.246 ( 0.797 2.142 -2.215) 3.182 4.330 ( -4.347 3.965 0.743) 5.930 4.406 ( -3.002 -2.671 0.929) 4.124 4.498 ( -2.717 -1.444 0.264) 3.088 4.575 ( -0.315 1.190 -4.101) 4.282 4.598 ( -2.516 6.880 0.645) 7.354 4.721 ( -1.365 -3.258 3.573) 5.024 4.857 ( 0.086 -1.382 -4.647) 4.848 4.903 ( 1.546 -2.027 -4.400) 5.085 5.069 ( -2.293 -1.217 -2.893) 3.887 5.077 ( 1.417 -1.819 1.472) 2.736 5.179 ( 1.220 1.888 1.856) 2.915 5.287 ( -0.684 -1.298 -2.163) 2.614 5.407 ( 1.441 1.064 0.013) 1.791 5.439 ( 1.032 0.226 -2.498) 2.713 5.588 ( 2.039 3.040 -2.310) 4.328 5.753 ( 5.718 -3.015 -1.751) 6.697 6.107 ( 0.524 -1.053 -3.547) 3.737 6.127 ( 2.597 -1.144 -4.729) 5.515 6.238 ( 2.042 3.830 -2.724) 5.124 6.370 ( 2.955 -0.742 6.192) 6.901 6.486 ( 2.259 0.451 0.299) 2.323 6.572 ( 0.204 -2.503 1.140) 2.758 6.624 ( -3.615 -0.580 2.252) 4.298 6.758 ( 6.243 1.175 3.970) 7.491 6.816 ( 0.192 2.764 -1.484) 3.143 6.919 ( -0.872 -1.668 0.954) 2.110 8.564 ( 0.556 2.650 -3.250) 4.230 8.603 ( 1.832 3.777 -0.862) 4.286 8.679 ( 0.264 1.689 -4.606) 4.913 8.778 ( 1.984 0.726 -2.479) 3.257 9.071 ( 2.621 -0.311 4.276) 5.025 9.197 ( 0.209 -4.203 0.270) 4.217 9.357 ( -1.187 2.188 3.838) 4.575 9.406 ( -4.142 1.062 3.196) 5.338 9.529 ( -2.033 2.379 0.502) 3.169 9.702 ( 0.365 -4.667 -1.086) 4.805 9.917 ( -1.598 0.061 -2.683) 3.123 9.930 ( -3.725 0.344 -5.967) 7.043 10.222 ( -5.064 1.790 0.219) 5.375 10.293 ( -3.957 3.527 3.560) 6.385 10.423 ( -3.036 -3.688 -0.829) 4.848 10.569 ( -18.443 -12.053 -1.686) 22.096 11.171 ( 2.653 -0.217 0.806) 2.781 11.192 ( 1.493 -0.272 -0.128) 1.523 11.265 ( 1.544 -0.657 2.033) 2.636 11.286 ( -0.080 -1.034 0.402) 1.113 11.933 ( 0.416 1.159 2.983) 3.227 12.030 ( 0.427 -3.389 1.095) 3.587 12.254 ( 0.212 5.551 -3.947) 6.815 12.333 ( -2.050 4.753 -8.918) 10.312 20.216 ( -1.354 0.009 -1.333) 1.900 20.227 ( -0.674 0.081 -1.795) 1.919 20.681 ( 8.751 -2.481 11.225) 14.448 20.765 ( 4.302 -3.080 4.487) 6.938 21.555 ( -4.058 0.258 4.195) 5.842 21.698 ( -6.176 -10.351 4.782) 12.968 22.003 ( 0.402 0.617 -6.077) 6.122 22.053 ( -1.859 -0.944 -7.538) 7.821 22.183 ( 2.703 -0.050 2.293) 3.545 22.224 ( -0.067 0.142 -0.167) 0.229 22.270 ( -1.653 0.845 -2.167) 2.853 22.433 ( -0.789 -4.839 -1.978) 5.287 22.655 ( 0.931 4.857 2.467) 5.527 22.748 ( 4.835 3.533 2.263) 6.401 22.890 ( 2.051 -1.002 7.748) 8.077 22.952 ( 2.460 -2.962 4.759) 6.122 23.172 ( -0.092 1.672 -3.751) 4.108 23.244 ( -0.587 -0.336 -0.173) 0.698 23.316 ( -2.799 2.774 0.989) 4.063 23.477 ( 2.094 0.030 -0.691) 2.205 23.885 ( 3.603 2.859 -0.940) 4.695 23.953 ( 5.224 4.538 0.606) 6.946 24.160 ( 4.737 6.144 -0.179) 7.760 24.380 ( 3.102 -1.880 -1.256) 3.838 ======================= Grid point 108 (61/96) ======================= q-point: ( 0.00 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( -2.091 -7.587 -0.978) 7.930 0.982 ( -2.091 7.587 -0.978) 7.930 1.189 ( -3.075 -8.588 5.543) 10.674 1.189 ( -3.075 8.588 5.543) 10.674 1.479 ( -1.561 -8.174 -3.689) 9.103 1.479 ( -1.561 8.174 -3.689) 9.103 1.680 ( 4.594 -11.405 7.811) 14.567 1.680 ( 4.594 11.405 7.811) 14.567 2.095 ( -0.513 -0.972 1.263) 1.674 2.095 ( -0.513 0.972 1.263) 1.674 2.145 ( 3.389 -6.916 -4.746) 9.046 2.145 ( 3.389 6.916 -4.746) 9.046 2.279 ( 0.511 -4.879 10.696) 11.767 2.279 ( 0.511 4.879 10.696) 11.767 2.493 ( -1.341 -3.737 5.104) 6.466 2.493 ( -1.341 3.737 5.104) 6.466 2.773 ( 1.571 -6.303 5.837) 8.733 2.773 ( 1.571 6.303 5.837) 8.733 2.860 ( 0.539 -4.167 2.706) 4.998 2.860 ( 0.539 4.167 2.706) 4.998 3.124 ( -0.994 -3.495 2.679) 4.514 3.124 ( -0.994 3.495 2.679) 4.514 3.300 ( 3.950 -7.502 -0.570) 8.498 3.300 ( 3.950 7.502 -0.570) 8.498 3.479 ( -0.580 -6.114 -2.298) 6.557 3.479 ( -0.580 6.114 -2.298) 6.557 3.576 ( -1.625 -4.482 -0.226) 4.773 3.576 ( -1.625 4.482 -0.226) 4.773 3.848 ( -1.081 -7.885 2.785) 8.432 3.848 ( -1.081 7.885 2.785) 8.432 4.111 ( -0.678 -1.792 1.904) 2.701 4.111 ( -0.678 1.792 1.904) 2.701 4.249 ( 2.616 -2.002 -1.718) 3.715 4.249 ( 2.616 2.002 -1.718) 3.715 4.333 ( -1.340 -1.088 -2.661) 3.172 4.333 ( -1.340 1.088 -2.661) 3.172 4.438 ( -1.222 -2.608 -0.849) 3.003 4.438 ( -1.222 2.608 -0.849) 3.003 4.700 ( -0.598 -4.693 -4.798) 6.738 4.700 ( -0.598 4.693 -4.798) 6.738 4.846 ( 0.553 -3.763 0.463) 3.832 4.846 ( 0.553 3.763 0.463) 3.832 5.068 ( 2.113 -2.416 0.684) 3.282 5.068 ( 2.113 2.416 0.684) 3.282 5.222 ( -3.137 -0.920 -0.753) 3.355 5.222 ( -3.137 0.920 -0.753) 3.355 5.429 ( 1.610 -1.127 -1.522) 2.486 5.429 ( 1.610 1.127 -1.522) 2.486 5.703 ( 2.374 -4.521 -0.741) 5.160 5.703 ( 2.374 4.521 -0.741) 5.160 6.084 ( 0.290 -1.080 -3.667) 3.834 6.084 ( 0.290 1.080 -3.667) 3.834 6.306 ( -1.039 -5.427 -1.386) 5.697 6.306 ( -1.039 5.427 -1.386) 5.697 6.544 ( 1.680 -2.131 1.067) 2.916 6.544 ( 1.680 2.131 1.067) 2.916 6.725 ( -0.649 -7.857 -0.618) 7.908 6.725 ( -0.649 7.857 -0.618) 7.908 6.886 ( 1.497 -2.332 1.351) 3.083 6.886 ( 1.497 2.332 1.351) 3.083 8.572 ( -0.927 -2.247 -2.127) 3.230 8.572 ( -0.927 2.247 -2.127) 3.230 8.774 ( 2.462 -3.553 -3.209) 5.383 8.774 ( 2.462 3.553 -3.209) 5.383 9.183 ( 4.240 -2.179 3.833) 6.117 9.183 ( 4.240 2.179 3.833) 6.117 9.376 ( -4.021 -0.408 0.941) 4.150 9.376 ( -4.021 0.408 0.941) 4.150 9.587 ( -0.453 -3.764 -0.307) 3.803 9.587 ( -0.453 3.764 -0.307) 3.803 9.832 ( -1.628 -1.750 -3.027) 3.857 9.832 ( -1.628 1.750 -3.027) 3.857 10.228 ( -2.980 -2.493 2.470) 4.604 10.228 ( -2.980 2.493 2.470) 4.604 10.406 ( 1.545 -2.575 1.298) 3.271 10.406 ( 1.545 2.575 1.298) 3.271 11.208 ( 1.225 -0.442 0.072) 1.304 11.208 ( 1.225 0.442 0.072) 1.304 11.279 ( -0.173 -0.691 0.931) 1.172 11.279 ( -0.173 0.691 0.931) 1.172 12.008 ( 0.456 -1.351 3.071) 3.386 12.008 ( 0.456 1.351 3.071) 3.386 12.254 ( -1.515 -0.495 -6.371) 6.568 12.254 ( -1.515 0.495 -6.371) 6.568 20.198 ( -0.010 -0.633 -1.591) 1.713 20.198 ( -0.010 0.633 -1.591) 1.713 20.825 ( 2.087 -1.187 6.355) 6.794 20.825 ( 2.087 1.187 6.355) 6.794 21.558 ( -4.341 -1.444 4.875) 6.685 21.558 ( -4.341 1.444 4.875) 6.685 21.957 ( 0.232 -1.824 -5.781) 6.066 21.957 ( 0.232 1.824 -5.781) 6.066 22.231 ( 1.554 -1.817 0.448) 2.433 22.231 ( 1.554 1.817 0.448) 2.433 22.297 ( 0.290 -3.677 -2.385) 4.393 22.297 ( 0.290 3.677 -2.385) 4.393 22.831 ( 2.855 -4.185 4.260) 6.620 22.831 ( 2.855 4.185 4.260) 6.620 22.986 ( -1.158 -0.299 4.160) 4.329 22.986 ( -1.158 0.299 4.160) 4.329 23.175 ( -0.847 -4.454 -0.693) 4.586 23.175 ( -0.847 4.454 -0.693) 4.586 23.387 ( 1.763 -3.616 -1.751) 4.387 23.387 ( 1.763 3.616 -1.751) 4.387 24.005 ( 1.358 -3.644 2.099) 4.420 24.005 ( 1.358 3.644 2.099) 4.420 24.322 ( 1.591 -3.901 -4.088) 5.871 24.322 ( 1.591 3.901 -4.088) 5.871 ======================= Grid point 110 (62/96) ======================= q-point: ( 0.11 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( -1.011 -6.624 -4.755) 8.217 0.919 ( -1.011 6.624 -4.755) 8.217 1.204 ( -2.920 -13.958 7.814) 16.261 1.204 ( -2.920 13.958 7.814) 16.261 1.478 ( 4.246 -6.678 -0.284) 7.919 1.478 ( 4.246 6.678 -0.284) 7.919 1.828 ( 3.606 -11.440 2.684) 12.292 1.828 ( 3.606 11.440 2.684) 12.292 2.015 ( -1.877 -3.148 -6.819) 7.742 2.015 ( -1.877 3.148 -6.819) 7.742 2.173 ( 4.542 -6.774 -1.212) 8.245 2.173 ( 4.542 6.774 -1.212) 8.245 2.423 ( 3.678 -2.777 7.745) 9.013 2.423 ( 3.678 2.777 7.745) 9.013 2.568 ( -1.138 -2.041 9.785) 10.060 2.568 ( -1.138 2.041 9.785) 10.060 2.825 ( 0.268 -10.241 0.683) 10.267 2.825 ( 0.268 10.241 0.683) 10.267 2.931 ( -0.006 -5.962 5.792) 8.312 2.931 ( -0.006 5.962 5.792) 8.312 3.105 ( -1.945 -3.104 -0.832) 3.756 3.105 ( -1.945 3.104 -0.832) 3.756 3.282 ( -2.026 -5.211 -4.360) 7.090 3.282 ( -2.026 5.211 -4.360) 7.090 3.460 ( 1.358 -4.447 -2.312) 5.193 3.460 ( 1.358 4.447 -2.312) 5.193 3.549 ( -4.267 -1.441 2.823) 5.315 3.549 ( -4.267 1.441 2.823) 5.315 3.879 ( -0.316 -3.067 3.764) 4.865 3.879 ( -0.316 3.067 3.764) 4.865 4.080 ( -3.691 -1.152 1.023) 4.000 4.080 ( -3.691 1.152 1.023) 4.000 4.248 ( -2.849 -4.837 -2.482) 6.138 4.248 ( -2.849 4.837 -2.482) 6.138 4.337 ( 5.233 -6.022 -0.398) 7.988 4.337 ( 5.233 6.022 -0.398) 7.988 4.454 ( 2.756 -3.860 2.505) 5.364 4.454 ( 2.756 3.860 2.505) 5.364 4.637 ( 2.480 -3.549 -6.945) 8.184 4.637 ( 2.480 3.549 -6.945) 8.184 4.848 ( -1.537 -2.597 1.328) 3.297 4.848 ( -1.537 2.597 1.328) 3.297 5.071 ( -4.448 -1.241 0.343) 4.631 5.071 ( -4.448 1.241 0.343) 4.631 5.197 ( 1.425 -4.933 1.154) 5.262 5.197 ( 1.425 4.933 1.154) 5.262 5.431 ( 1.060 -1.599 -2.066) 2.820 5.431 ( 1.060 1.599 -2.066) 2.820 5.705 ( -0.648 -2.797 -1.572) 3.273 5.705 ( -0.648 2.797 -1.572) 3.273 6.007 ( -4.918 -1.232 -2.626) 5.710 6.007 ( -4.918 1.232 -2.626) 5.710 6.297 ( 1.569 -3.352 -1.609) 4.036 6.297 ( 1.569 3.352 -1.609) 4.036 6.559 ( -2.180 -5.747 -0.166) 6.149 6.559 ( -2.180 5.747 -0.166) 6.149 6.706 ( 1.722 -6.173 -0.268) 6.414 6.706 ( 1.722 6.173 -0.268) 6.414 6.925 ( 1.892 -1.819 0.476) 2.667 6.925 ( 1.892 1.819 0.476) 2.667 8.543 ( -0.579 -2.222 -0.824) 2.439 8.543 ( -0.579 2.222 -0.824) 2.439 8.749 ( -0.914 -4.878 -3.091) 5.847 8.749 ( -0.914 4.878 -3.091) 5.847 9.258 ( -0.876 -1.163 0.051) 1.457 9.258 ( -0.876 1.163 0.051) 1.457 9.364 ( 3.602 -2.774 2.261) 5.078 9.364 ( 3.602 2.774 2.261) 5.078 9.606 ( 1.188 -2.322 3.261) 4.175 9.606 ( 1.188 2.322 3.261) 4.175 9.799 ( 1.425 -2.427 -4.036) 4.920 9.799 ( 1.425 2.427 -4.036) 4.920 10.241 ( 0.901 -3.638 2.309) 4.402 10.241 ( 0.901 3.638 2.309) 4.402 10.470 ( 5.485 -1.014 0.295) 5.585 10.470 ( 5.485 1.014 0.295) 5.585 11.214 ( -0.267 -0.705 -0.445) 0.876 11.214 ( -0.267 0.705 -0.445) 0.876 11.279 ( -0.722 -0.599 0.374) 1.010 11.279 ( -0.722 0.599 0.374) 1.010 12.046 ( -0.287 -0.269 3.007) 3.033 12.046 ( -0.287 0.269 3.007) 3.033 12.175 ( -0.749 -0.471 -4.054) 4.150 12.175 ( -0.749 0.471 -4.054) 4.150 20.188 ( 1.063 -0.806 -1.281) 1.849 20.188 ( 1.063 0.806 -1.281) 1.849 20.885 ( -1.389 -1.326 3.162) 3.699 20.885 ( -1.389 1.326 3.162) 3.699 21.556 ( -3.411 -1.201 5.195) 6.330 21.556 ( -3.411 1.201 5.195) 6.330 21.908 ( 0.717 -3.101 -4.189) 5.261 21.908 ( 0.717 3.101 -4.189) 5.261 22.247 ( 0.435 -0.278 -0.695) 0.866 22.247 ( 0.435 0.278 -0.695) 0.866 22.297 ( 2.841 -1.725 -1.374) 3.596 22.297 ( 2.841 1.725 -1.374) 3.596 22.906 ( -0.087 -5.243 3.113) 6.099 22.906 ( -0.087 5.243 3.113) 6.099 22.969 ( -2.396 -0.806 0.571) 2.592 22.969 ( -2.396 0.806 0.571) 2.592 23.162 ( -1.047 -4.875 0.530) 5.014 23.162 ( -1.047 4.875 0.530) 5.014 23.429 ( 5.369 -1.852 -1.250) 5.815 23.429 ( 5.369 1.852 -1.250) 5.815 24.031 ( -1.162 -4.516 1.807) 5.001 24.031 ( -1.162 4.516 1.807) 5.001 24.272 ( -1.524 -2.597 -4.015) 5.019 24.272 ( -1.524 2.597 -4.015) 5.019 ======================= Grid point 112 (63/96) ======================= q-point: ( 0.22 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( 0.424 -0.836 2.147) 2.343 0.893 ( 0.424 0.836 2.147) 2.343 1.283 ( 0.301 -10.287 8.707) 13.480 1.283 ( 0.301 10.287 8.707) 13.480 1.581 ( 7.395 -5.394 2.062) 9.383 1.581 ( 7.395 5.394 2.062) 9.383 1.804 ( -1.911 -5.045 -6.467) 8.422 1.804 ( -1.911 5.045 -6.467) 8.422 1.955 ( 3.224 -4.612 -5.347) 7.762 1.955 ( 3.224 4.612 -5.347) 7.762 2.256 ( 5.735 -4.421 0.124) 7.242 2.256 ( 5.735 4.421 0.124) 7.242 2.545 ( 3.287 -2.859 2.571) 5.058 2.545 ( 3.287 2.859 2.571) 5.058 2.656 ( -0.936 -7.535 7.105) 10.398 2.656 ( -0.936 7.535 7.105) 10.398 2.809 ( -1.847 -8.181 -0.864) 8.431 2.809 ( -1.847 8.181 -0.864) 8.431 2.919 ( -3.531 -2.317 -0.869) 4.312 2.919 ( -3.531 2.317 -0.869) 4.312 3.058 ( -2.720 -3.963 -2.319) 5.337 3.058 ( -2.720 3.963 -2.319) 5.337 3.203 ( -3.697 -7.508 -2.508) 8.737 3.203 ( -3.697 7.508 -2.508) 8.737 3.414 ( -4.140 -3.762 -0.173) 5.596 3.414 ( -4.140 3.762 -0.173) 5.596 3.535 ( 0.839 -6.070 -0.787) 6.178 3.535 ( 0.839 6.070 -0.787) 6.178 3.893 ( -1.523 -6.293 0.764) 6.519 3.893 ( -1.523 6.293 0.764) 6.519 4.057 ( -3.351 -7.998 3.528) 9.361 4.057 ( -3.351 7.998 3.528) 9.361 4.166 ( -2.112 -4.205 -3.434) 5.825 4.166 ( -2.112 4.205 -3.434) 5.825 4.406 ( 2.565 -2.574 1.686) 4.006 4.406 ( 2.565 2.574 1.686) 4.006 4.554 ( 5.206 -0.451 0.622) 5.262 4.554 ( 5.206 0.451 0.622) 5.262 4.650 ( 6.729 -5.937 -2.073) 9.210 4.650 ( 6.729 5.937 -2.073) 9.210 4.831 ( -2.194 -1.911 0.509) 2.954 4.831 ( -2.194 1.911 0.509) 2.954 5.002 ( -4.668 -1.330 2.336) 5.386 5.002 ( -4.668 1.330 2.336) 5.386 5.225 ( -0.180 -3.004 -0.308) 3.025 5.225 ( -0.180 3.004 -0.308) 3.025 5.425 ( 1.210 -1.858 -1.138) 2.493 5.425 ( 1.210 1.858 -1.138) 2.493 5.644 ( -3.730 -0.829 -2.964) 4.836 5.644 ( -3.730 0.829 -2.964) 4.836 5.916 ( -4.172 -1.758 0.211) 4.532 5.916 ( -4.172 1.758 0.211) 4.532 6.295 ( 0.529 -1.189 -1.859) 2.269 6.295 ( 0.529 1.189 -1.859) 2.269 6.490 ( -4.232 -4.341 -0.902) 6.129 6.490 ( -4.232 4.341 -0.902) 6.129 6.770 ( 3.999 -4.526 1.195) 6.156 6.770 ( 3.999 4.526 1.195) 6.156 6.951 ( 1.375 -0.534 -0.376) 1.522 6.951 ( 1.375 0.534 -0.376) 1.522 8.538 ( 0.139 -1.699 0.873) 1.915 8.538 ( 0.139 1.699 0.873) 1.915 8.687 ( -2.459 -4.873 -2.655) 6.070 8.687 ( -2.459 4.873 -2.655) 6.070 9.221 ( -0.412 -1.116 -2.372) 2.654 9.221 ( -0.412 1.116 -2.372) 2.654 9.458 ( 2.323 -3.451 3.220) 5.261 9.458 ( 2.323 3.451 3.220) 5.261 9.696 ( 4.052 -0.521 4.247) 5.893 9.696 ( 4.052 0.521 4.247) 5.893 9.766 ( 0.594 -2.833 -4.319) 5.199 9.766 ( 0.594 2.833 -4.319) 5.199 10.309 ( 5.094 -4.242 1.676) 6.838 10.309 ( 5.094 4.242 1.676) 6.838 10.569 ( 6.802 -3.754 -0.069) 7.770 10.569 ( 6.802 3.754 -0.069) 7.770 11.191 ( -1.658 -1.247 -0.772) 2.213 11.191 ( -1.658 1.247 -0.772) 2.213 11.267 ( -1.249 -0.490 0.202) 1.357 11.267 ( -1.249 0.490 0.202) 1.357 12.053 ( -1.530 -0.374 0.532) 1.663 12.053 ( -1.530 0.374 0.532) 1.663 12.150 ( 0.721 -0.414 -0.222) 0.861 12.150 ( 0.721 0.414 -0.222) 0.861 20.203 ( 1.995 -0.826 -0.338) 2.186 20.203 ( 1.995 0.826 -0.338) 2.186 20.856 ( -4.042 -0.411 -0.680) 4.120 20.856 ( -4.042 0.411 -0.680) 4.120 21.571 ( -2.870 -1.806 5.682) 6.617 21.571 ( -2.870 1.806 5.682) 6.617 21.881 ( 0.686 -3.749 -2.470) 4.541 21.881 ( 0.686 3.749 -2.470) 4.541 22.244 ( 0.861 -0.540 -1.065) 1.472 22.244 ( 0.861 0.540 -1.065) 1.472 22.340 ( 4.020 -3.287 -0.851) 5.262 22.340 ( 4.020 3.287 -0.851) 5.262 22.863 ( -4.122 -4.144 -1.665) 6.078 22.863 ( -4.122 4.144 -1.665) 6.078 22.969 ( -1.402 -0.830 1.365) 2.126 22.969 ( -1.402 0.830 1.365) 2.126 23.165 ( 0.948 -6.889 0.822) 7.003 23.165 ( 0.948 6.889 0.822) 7.003 23.501 ( 5.609 -2.445 -1.698) 6.350 23.501 ( 5.609 2.445 -1.698) 6.350 24.000 ( -3.497 -5.086 -1.099) 6.269 24.000 ( -3.497 5.086 -1.099) 6.269 24.207 ( -2.313 -1.347 -1.544) 3.091 24.207 ( -2.313 1.347 -1.544) 3.091 ======================= Grid point 114 (64/96) ======================= q-point: ( 0.33 -0.50 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( 1.636 -4.653 8.175) 9.547 0.974 ( 1.636 4.653 8.175) 9.547 1.386 ( -1.186 -7.887 9.432) 12.352 1.386 ( -1.186 7.887 9.432) 12.352 1.686 ( 0.491 -3.761 -6.286) 7.342 1.686 ( 0.491 3.761 -6.286) 7.342 1.756 ( 8.039 -5.679 2.610) 10.183 1.756 ( 8.040 5.679 2.610) 10.183 1.967 ( 6.531 -1.107 -5.856) 8.842 1.967 ( 6.531 1.107 -5.856) 8.842 2.301 ( 2.270 -2.416 -4.595) 5.666 2.301 ( 2.270 2.416 -4.595) 5.666 2.546 ( -1.860 -2.793 -6.300) 7.138 2.546 ( -1.860 2.793 -6.300) 7.138 2.626 ( -3.724 -5.244 -3.587) 7.365 2.626 ( -3.724 5.244 -3.587) 7.365 2.768 ( -3.041 -5.859 0.571) 6.625 2.768 ( -3.041 5.859 0.571) 6.625 2.916 ( -1.788 -7.347 3.092) 8.169 2.916 ( -1.788 7.347 3.092) 8.169 2.975 ( -1.116 -1.048 -2.148) 2.638 2.975 ( -1.116 1.048 -2.148) 2.638 3.087 ( -5.649 -5.832 -3.230) 8.738 3.087 ( -5.649 5.832 -3.230) 8.738 3.362 ( -1.704 -2.821 -1.716) 3.716 3.362 ( -1.704 2.821 -1.716) 3.716 3.553 ( 1.470 -8.413 0.461) 8.553 3.553 ( 1.470 8.413 0.461) 8.553 3.864 ( -2.116 -3.067 -0.966) 3.850 3.864 ( -2.116 3.067 -0.966) 3.850 4.017 ( -4.776 -5.687 1.933) 7.674 4.017 ( -4.776 5.687 1.933) 7.674 4.144 ( 0.652 -3.852 0.782) 3.984 4.144 ( 0.652 3.852 0.782) 3.984 4.445 ( 0.933 -3.199 -0.305) 3.346 4.445 ( 0.933 3.199 -0.305) 3.346 4.615 ( 4.576 -1.110 -1.316) 4.890 4.615 ( 4.576 1.110 -1.316) 4.890 4.751 ( 3.926 -5.092 1.253) 6.551 4.751 ( 3.926 5.092 1.253) 6.551 4.800 ( 0.030 -0.512 -0.612) 0.799 4.800 ( 0.030 0.512 -0.612) 0.799 5.000 ( -1.318 -2.747 3.698) 4.791 5.000 ( -1.318 2.747 3.698) 4.791 5.179 ( -3.276 -4.425 -1.588) 5.730 5.179 ( -3.276 4.425 -1.588) 5.730 5.451 ( 1.957 -2.413 0.899) 3.234 5.451 ( 1.957 2.413 0.899) 3.234 5.555 ( -2.624 -0.378 -1.948) 3.290 5.555 ( -2.624 0.378 -1.948) 3.290 5.892 ( -1.063 -1.412 2.526) 3.083 5.892 ( -1.063 1.412 2.526) 3.083 6.278 ( -1.003 -5.621 -0.334) 5.719 6.278 ( -1.003 5.621 -0.334) 5.719 6.430 ( -2.208 -2.208 -0.867) 3.241 6.430 ( -2.208 2.208 -0.867) 3.241 6.823 ( 1.676 -3.049 -0.206) 3.485 6.823 ( 1.676 3.049 -0.206) 3.485 6.961 ( 1.270 -1.116 -1.063) 1.997 6.961 ( 1.270 1.116 -1.063) 1.997 8.566 ( 0.656 -0.661 2.375) 2.552 8.566 ( 0.656 0.661 2.375) 2.552 8.629 ( -1.407 -3.768 -1.470) 4.282 8.629 ( -1.407 3.768 -1.470) 4.282 9.201 ( 1.334 -1.233 -2.493) 3.085 9.201 ( 1.334 1.233 -2.493) 3.085 9.494 ( -1.141 -2.981 1.203) 3.411 9.494 ( -1.141 2.981 1.203) 3.411 9.717 ( 0.415 -2.339 -3.660) 4.363 9.717 ( 0.415 2.339 -3.660) 4.363 9.803 ( 2.479 -1.968 3.775) 4.927 9.803 ( 2.479 1.968 3.775) 4.927 10.420 ( 6.037 -2.707 1.186) 6.722 10.420 ( 6.037 2.707 1.186) 6.722 10.673 ( 6.600 -6.488 0.556) 9.272 10.673 ( 6.600 6.488 0.556) 9.272 11.156 ( -1.868 -1.693 -0.280) 2.537 11.156 ( -1.868 1.693 -0.280) 2.537 11.245 ( -1.651 -0.744 -0.100) 1.813 11.245 ( -1.651 0.744 -0.100) 1.813 12.026 ( -1.149 -0.162 -1.110) 1.606 12.026 ( -1.149 0.162 -1.110) 1.606 12.176 ( 0.640 -0.524 2.379) 2.519 12.176 ( 0.640 0.524 2.379) 2.519 20.239 ( 2.326 -0.663 0.624) 2.498 20.239 ( 2.326 0.663 0.624) 2.498 20.755 ( -4.871 -0.422 -4.410) 6.584 20.755 ( -4.871 0.422 -4.410) 6.584 21.593 ( -3.071 -1.929 5.953) 6.970 21.593 ( -3.071 1.929 5.953) 6.970 21.874 ( 0.993 -3.927 -0.785) 4.125 21.874 ( 0.993 3.927 -0.785) 4.125 22.252 ( 1.585 -1.314 -0.874) 2.237 22.252 ( 1.585 1.314 -0.874) 2.237 22.393 ( 3.823 -3.484 -0.654) 5.213 22.393 ( 3.823 3.484 -0.654) 5.213 22.781 ( -3.024 -4.056 -2.539) 5.660 22.781 ( -3.024 4.056 -2.539) 5.660 22.938 ( -2.365 -2.345 -1.222) 3.548 22.938 ( -2.365 2.345 -1.222) 3.548 23.203 ( 1.579 -6.692 1.649) 7.071 23.203 ( 1.579 6.692 1.649) 7.071 23.549 ( 3.944 -3.386 -3.042) 6.023 23.549 ( 3.944 3.386 -3.042) 6.023 23.921 ( -2.805 -4.688 -2.724) 6.104 23.921 ( -2.805 4.688 -2.724) 6.104 24.164 ( -2.356 -1.932 -0.213) 3.054 24.164 ( -2.356 1.932 -0.213) 3.054 ======================= Grid point 116 (65/96) ======================= q-point: (-0.56 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( 2.174 -6.176 6.901) 9.513 1.097 ( 2.174 6.176 6.901) 9.513 1.440 ( -5.969 -5.190 9.138) 12.086 1.440 ( -5.969 5.190 9.138) 12.086 1.610 ( -1.097 -3.907 -4.816) 6.298 1.610 ( -1.097 3.907 -4.816) 6.298 1.925 ( 7.629 -4.411 0.404) 8.821 1.925 ( 7.629 4.411 0.404) 8.821 2.010 ( 5.426 -2.676 -2.931) 6.722 2.010 ( 5.426 2.676 -2.931) 6.722 2.187 ( -2.307 -1.445 -14.998) 15.243 2.187 ( -2.307 1.445 -14.998) 15.243 2.410 ( 0.749 -4.997 -8.625) 9.996 2.410 ( 0.749 4.997 -8.625) 9.996 2.568 ( -0.754 -6.837 -1.531) 7.046 2.568 ( -0.754 6.837 -1.531) 7.046 2.671 ( -7.367 -5.072 -3.219) 9.506 2.671 ( -7.367 5.072 -3.219) 9.506 2.854 ( -7.668 -5.529 2.954) 9.905 2.854 ( -7.668 5.529 2.954) 9.905 2.950 ( -1.248 -3.865 -1.711) 4.407 2.950 ( -1.248 3.865 -1.711) 4.407 3.079 ( 4.097 -4.732 0.955) 6.332 3.079 ( 4.097 4.732 0.955) 6.332 3.311 ( 0.173 -1.997 -4.897) 5.292 3.311 ( 0.173 1.997 -4.897) 5.292 3.576 ( 0.085 -5.441 1.310) 5.597 3.576 ( 0.085 5.441 1.310) 5.597 3.802 ( -2.272 -7.570 -3.136) 8.503 3.802 ( -2.272 7.570 -3.136) 8.503 4.000 ( -2.765 -8.539 4.970) 10.260 4.000 ( -2.765 8.539 4.970) 10.260 4.183 ( 1.642 -2.985 3.007) 4.544 4.183 ( 1.642 2.985 3.007) 4.544 4.431 ( -0.481 -6.579 -1.523) 6.770 4.431 ( -0.481 6.579 -1.523) 6.770 4.668 ( 2.881 -0.323 -1.785) 3.405 4.668 ( 2.881 0.323 -1.785) 3.405 4.739 ( -1.919 -2.580 0.905) 3.341 4.739 ( -1.919 2.580 0.905) 3.341 4.867 ( 3.593 -2.233 -0.483) 4.258 4.867 ( 3.593 2.233 -0.483) 4.258 4.994 ( -1.684 -2.128 1.042) 2.906 4.994 ( -1.684 2.128 1.042) 2.906 5.134 ( -0.983 -4.498 0.987) 4.709 5.134 ( -0.983 4.498 0.987) 4.709 5.486 ( 0.466 -1.773 0.372) 1.870 5.486 ( 0.466 1.773 0.372) 1.870 5.547 ( 2.767 -0.746 0.275) 2.879 5.547 ( 2.767 0.746 0.275) 2.879 5.937 ( 1.074 -0.550 4.888) 5.034 5.937 ( 1.074 0.550 4.888) 5.034 6.252 ( -1.764 -5.767 -0.509) 6.052 6.252 ( -1.764 5.767 -0.509) 6.052 6.403 ( 0.401 -1.951 -1.487) 2.485 6.403 ( 0.401 1.951 -1.487) 2.485 6.817 ( -1.172 -2.671 -1.029) 3.093 6.817 ( -1.172 2.671 -1.029) 3.093 6.969 ( 1.483 -1.005 -1.559) 2.375 6.969 ( 1.483 1.005 -1.559) 2.375 8.576 ( 0.164 -4.015 -0.883) 4.114 8.576 ( 0.164 4.015 -0.883) 4.114 8.645 ( 0.973 -2.885 3.647) 4.750 8.645 ( 0.973 2.885 3.647) 4.750 9.205 ( 2.342 -1.965 -1.808) 3.551 9.205 ( 2.342 1.965 -1.808) 3.551 9.443 ( -3.696 -4.127 -3.215) 6.406 9.443 ( -3.696 4.127 -3.215) 6.406 9.700 ( -1.421 -0.636 1.511) 2.170 9.700 ( -1.421 0.636 1.511) 2.170 9.865 ( 2.620 -3.633 0.773) 4.545 9.865 ( 2.620 3.633 0.773) 4.545 10.484 ( 1.243 -1.283 -0.208) 1.798 10.484 ( 1.243 1.283 -0.208) 1.798 10.784 ( 5.047 -6.691 2.199) 8.665 10.784 ( 5.047 6.691 2.199) 8.665 11.132 ( -1.248 -2.047 0.423) 2.435 11.132 ( -1.248 2.047 0.423) 2.435 11.220 ( -0.903 -2.133 -0.662) 2.409 11.220 ( -0.903 2.133 -0.662) 2.409 11.997 ( -0.811 -0.514 -1.452) 1.741 11.997 ( -0.811 0.514 -1.452) 1.741 12.221 ( 0.840 -0.561 3.656) 3.793 12.221 ( 0.840 0.561 3.656) 3.793 20.281 ( 1.563 -0.537 1.086) 1.978 20.281 ( 1.563 0.537 1.086) 1.978 20.624 ( -3.328 -0.686 -6.787) 7.590 20.624 ( -3.328 0.686 -6.787) 7.590 21.606 ( -3.720 -1.450 5.455) 6.760 21.606 ( -3.720 1.450 5.455) 6.760 21.899 ( 2.210 -4.395 0.872) 4.996 21.899 ( 2.210 4.395 0.872) 4.996 22.267 ( 1.294 -1.322 -0.849) 2.035 22.267 ( 1.294 1.322 -0.849) 2.035 22.442 ( 2.928 -3.872 0.401) 4.871 22.442 ( 2.928 3.872 0.401) 4.871 22.713 ( -1.959 -3.763 -3.012) 5.203 22.713 ( -1.959 3.763 -3.012) 5.203 22.882 ( -1.447 -3.808 -2.966) 5.039 22.882 ( -1.447 3.808 -2.966) 5.039 23.234 ( -0.095 -4.220 1.207) 4.390 23.234 ( -0.095 4.220 1.207) 4.390 23.553 ( 1.617 -4.909 -3.121) 6.037 23.553 ( 1.617 4.909 -3.121) 6.037 23.874 ( 0.521 -2.951 -2.562) 3.943 23.874 ( 0.521 2.951 -2.562) 3.943 24.129 ( -1.403 -1.070 -0.558) 1.851 24.129 ( -1.403 1.070 -0.558) 1.851 ======================= Grid point 118 (66/96) ======================= q-point: (-0.44 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( -0.241 -5.991 -2.997) 6.703 1.150 ( -0.241 5.991 -2.997) 6.703 1.391 ( -11.334 -7.243 4.736) 14.260 1.391 ( -11.334 7.243 4.736) 14.260 1.558 ( -1.671 -7.811 0.459) 8.000 1.558 ( -1.671 7.811 0.459) 8.000 1.871 ( -1.259 -2.375 -10.383) 10.725 1.871 ( -1.259 2.375 -10.383) 10.725 2.008 ( -4.378 -1.559 -1.883) 5.014 2.008 ( -4.378 1.559 -1.883) 5.014 2.121 ( 7.092 -3.482 -2.867) 8.405 2.121 ( 7.092 3.482 -2.867) 8.405 2.340 ( -2.206 -2.765 -7.050) 7.887 2.340 ( -2.206 2.765 -7.050) 7.887 2.516 ( -3.018 -2.582 -2.093) 4.489 2.516 ( -3.018 2.582 -2.093) 4.489 2.614 ( 3.555 -0.400 2.319) 4.263 2.614 ( 3.555 0.400 2.319) 4.263 2.785 ( -3.607 -3.707 1.382) 5.354 2.785 ( -3.607 3.707 1.382) 5.354 2.921 ( -0.467 -2.054 -1.287) 2.469 2.921 ( -0.467 2.054 -1.287) 2.469 3.129 ( 1.409 -2.619 -0.526) 3.020 3.129 ( 1.409 2.619 -0.526) 3.020 3.270 ( 1.957 -2.802 -4.844) 5.928 3.270 ( 1.957 2.802 -4.844) 5.928 3.597 ( 1.145 -2.744 1.487) 3.325 3.597 ( 1.145 2.744 1.487) 3.325 3.755 ( 0.986 -6.769 -1.999) 7.126 3.755 ( 0.986 6.769 -1.999) 7.126 4.019 ( -3.149 -6.792 5.204) 9.117 4.019 ( -3.149 6.792 5.204) 9.117 4.258 ( 2.472 -2.711 4.236) 5.604 4.258 ( 2.472 2.711 4.236) 5.604 4.415 ( 0.633 -10.069 -1.550) 10.207 4.415 ( 0.633 10.069 -1.550) 10.207 4.616 ( -3.872 -1.862 -2.329) 4.887 4.616 ( -3.872 1.862 -2.329) 4.887 4.769 ( 1.245 -1.969 0.569) 2.398 4.769 ( 1.245 1.969 0.569) 2.398 4.850 ( -0.807 -2.012 -1.274) 2.514 4.850 ( -0.807 2.012 -1.274) 2.514 5.008 ( 0.352 -1.968 1.508) 2.504 5.008 ( 0.352 1.968 1.508) 2.504 5.196 ( 4.938 -4.967 2.921) 7.588 5.196 ( 4.938 4.967 2.921) 7.588 5.447 ( -2.580 -1.149 -3.764) 4.705 5.447 ( -2.580 1.149 -3.764) 4.705 5.614 ( 3.619 -2.727 0.740) 4.592 5.614 ( 3.619 2.727 0.740) 4.592 6.018 ( 1.577 -1.222 5.014) 5.396 6.018 ( 1.577 1.222 5.014) 5.396 6.234 ( 0.697 -4.234 0.054) 4.292 6.234 ( 0.697 4.234 0.054) 4.292 6.399 ( 1.674 -3.161 -2.618) 4.432 6.399 ( 1.674 3.161 -2.618) 4.432 6.775 ( -2.998 -1.766 -0.351) 3.498 6.775 ( -2.998 1.766 -0.351) 3.498 6.964 ( 0.832 -0.915 -2.506) 2.794 6.964 ( 0.832 0.915 -2.506) 2.794 8.581 ( 1.924 -4.157 -1.002) 4.689 8.581 ( 1.924 4.157 -1.002) 4.689 8.699 ( 0.319 -2.613 3.444) 4.334 8.699 ( 0.319 2.613 3.444) 4.334 9.232 ( 2.641 -2.962 -0.608) 4.015 9.232 ( 2.641 2.962 -0.608) 4.015 9.331 ( -4.440 -4.850 -4.193) 7.799 9.331 ( -4.440 4.850 -4.193) 7.799 9.689 ( -3.838 -0.918 3.320) 5.158 9.689 ( -3.838 0.918 3.320) 5.158 9.913 ( 3.839 -3.970 -0.812) 5.582 9.913 ( 3.839 3.970 -0.812) 5.582 10.469 ( -2.348 -0.515 0.004) 2.404 10.469 ( -2.348 0.515 0.004) 2.404 10.833 ( -2.678 -2.822 1.871) 4.317 10.833 ( -2.678 2.822 1.871) 4.317 11.132 ( 0.592 -4.522 0.333) 4.573 11.132 ( 0.592 4.522 0.333) 4.573 11.208 ( 0.781 -1.813 -0.900) 2.170 11.208 ( 0.781 1.813 -0.900) 2.170 11.969 ( -0.846 -1.128 -1.167) 1.830 11.969 ( -0.846 1.128 -1.167) 1.830 12.286 ( 1.993 -0.523 3.768) 4.295 12.286 ( 1.993 0.523 3.768) 4.295 20.301 ( -0.571 -0.473 0.747) 1.052 20.301 ( -0.571 0.473 0.747) 1.052 20.520 ( 0.151 -1.309 -6.313) 6.449 20.520 ( 0.151 1.309 -6.313) 6.449 21.606 ( -3.847 -1.226 4.916) 6.362 21.606 ( -3.847 1.226 4.916) 6.362 21.958 ( 3.371 -4.556 1.640) 5.900 21.958 ( 3.371 4.556 1.640) 5.900 22.264 ( 0.013 -1.554 -1.643) 2.261 22.264 ( 0.013 1.554 -1.643) 2.261 22.500 ( 2.209 -3.655 3.238) 5.360 22.500 ( 2.209 3.655 3.238) 5.360 22.640 ( -2.147 -2.492 -4.716) 5.750 22.640 ( -2.147 2.492 -4.716) 5.750 22.829 ( -0.602 -3.916 -3.669) 5.400 22.829 ( -0.602 3.916 -3.669) 5.400 23.229 ( -1.541 -0.605 0.737) 1.812 23.229 ( -1.541 0.605 0.737) 1.812 23.544 ( 0.725 -5.486 -1.390) 5.705 23.544 ( 0.725 5.486 -1.390) 5.705 23.864 ( 1.870 -0.474 -3.087) 3.641 23.864 ( 1.870 0.474 -3.087) 3.641 24.120 ( 1.567 -1.717 -0.708) 2.430 24.120 ( 1.567 1.717 -0.708) 2.430 ======================= Grid point 120 (67/96) ======================= q-point: (-0.33 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( -6.532 -5.288 -8.840) 12.198 1.002 ( -6.532 5.288 -8.840) 12.198 1.253 ( -12.577 -2.406 5.042) 13.762 1.253 ( -12.577 2.406 5.042) 13.762 1.569 ( 1.177 -4.377 2.017) 4.961 1.569 ( 1.177 4.377 2.017) 4.961 1.819 ( -2.164 -9.295 0.664) 9.566 1.819 ( -2.164 9.295 0.664) 9.566 1.909 ( -3.759 -4.403 -0.221) 5.794 1.909 ( -3.759 4.403 -0.221) 5.794 2.099 ( -4.584 -0.420 -5.435) 7.123 2.099 ( -4.584 0.420 -5.435) 7.123 2.263 ( 3.743 -1.176 -4.506) 5.975 2.263 ( 3.743 1.176 -4.506) 5.975 2.489 ( -1.832 -6.055 2.509) 6.806 2.489 ( -1.832 6.055 2.509) 6.806 2.674 ( -1.479 -2.983 0.156) 3.333 2.674 ( -1.479 2.983 0.156) 3.333 2.802 ( 4.056 -2.823 2.424) 5.504 2.802 ( 4.056 2.823 2.424) 5.504 2.939 ( 2.555 -2.213 1.297) 3.620 2.939 ( 2.555 2.213 1.297) 3.620 3.125 ( 2.383 -3.473 -2.219) 4.761 3.125 ( 2.383 3.473 -2.219) 4.761 3.261 ( 2.371 -2.003 -2.888) 4.240 3.261 ( 2.371 2.003 -2.888) 4.240 3.643 ( 2.908 -5.571 0.427) 6.298 3.643 ( 2.908 5.571 0.427) 6.298 3.799 ( 4.456 -0.776 1.902) 4.907 3.799 ( 4.456 0.776 1.902) 4.907 4.004 ( -4.627 -3.475 2.649) 6.364 4.004 ( -4.627 3.475 2.649) 6.364 4.343 ( 2.444 -2.705 3.325) 4.934 4.343 ( 2.444 2.705 3.325) 4.934 4.391 ( -1.160 -3.141 -2.686) 4.293 4.391 ( -1.160 3.141 -2.686) 4.293 4.560 ( -0.983 -2.932 -0.034) 3.093 4.560 ( -0.983 2.932 -0.034) 3.093 4.740 ( -2.696 -4.160 -0.972) 5.051 4.740 ( -2.696 4.160 -0.972) 5.051 4.860 ( 1.362 -4.172 -0.678) 4.441 4.860 ( 1.362 4.172 -0.678) 4.441 5.049 ( 2.943 -3.456 1.168) 4.687 5.049 ( 2.943 3.456 1.168) 4.687 5.258 ( -1.514 -4.441 -1.306) 4.870 5.258 ( -1.514 4.441 -1.306) 4.870 5.376 ( 0.935 -3.211 -1.654) 3.731 5.376 ( 0.935 3.211 -1.654) 3.731 5.655 ( 2.558 -4.188 -1.647) 5.176 5.655 ( 2.558 4.188 -1.647) 5.176 6.096 ( 2.783 -2.702 2.724) 4.740 6.096 ( 2.783 2.702 2.724) 4.740 6.277 ( 2.482 -6.023 2.460) 6.963 6.277 ( 2.482 6.023 2.460) 6.963 6.384 ( 1.849 -5.165 -4.678) 7.210 6.384 ( 1.849 5.165 -4.678) 7.210 6.724 ( -3.935 -1.138 1.138) 4.252 6.724 ( -3.935 1.138 1.138) 4.252 6.938 ( -0.308 -0.913 -2.677) 2.845 6.938 ( -0.308 0.913 -2.677) 2.845 8.606 ( 3.156 -3.420 -1.962) 5.050 8.606 ( 3.156 3.420 -1.962) 5.050 8.730 ( -0.254 -1.020 2.092) 2.341 8.730 ( -0.254 1.020 2.092) 2.341 9.190 ( -3.735 -4.690 -4.043) 7.231 9.190 ( -3.735 4.690 -4.043) 7.231 9.307 ( 1.882 -2.981 2.585) 4.371 9.307 ( 1.882 2.981 2.585) 4.371 9.658 ( -4.240 -1.388 2.409) 5.070 9.658 ( -4.240 1.388 2.409) 5.070 9.960 ( 3.652 -3.168 -1.520) 5.067 9.960 ( 3.652 3.168 -1.520) 5.067 10.428 ( -3.512 -1.189 1.200) 3.897 10.428 ( -3.512 1.189 1.200) 3.897 10.742 ( -10.715 -5.353 0.527) 11.989 10.742 ( -10.715 5.353 0.527) 11.989 11.141 ( 0.968 -3.079 -0.924) 3.357 11.141 ( 0.968 3.079 -0.924) 3.357 11.225 ( 1.656 -2.159 0.051) 2.721 11.225 ( 1.656 2.159 0.051) 2.721 11.948 ( -0.644 -1.785 -0.214) 1.909 11.948 ( -0.644 1.785 -0.214) 1.909 12.360 ( 3.168 -2.215 1.560) 4.168 12.360 ( 3.168 2.215 1.560) 4.168 20.281 ( -2.112 -0.075 -0.059) 2.114 20.281 ( -2.112 0.075 -0.059) 2.114 20.495 ( 3.005 -3.272 -2.427) 5.062 20.495 ( 3.005 3.272 -2.427) 5.062 21.603 ( -3.837 -1.605 4.827) 6.372 21.603 ( -3.837 1.605 4.827) 6.372 22.030 ( 4.026 -3.572 0.559) 5.412 22.030 ( 4.026 3.572 0.559) 5.412 22.230 ( -1.405 -2.103 -2.239) 3.378 22.230 ( -1.405 2.103 -2.239) 3.378 22.522 ( -4.827 -0.095 -2.515) 5.444 22.522 ( -4.827 0.095 -2.515) 5.444 22.604 ( 4.220 -2.540 2.281) 5.428 22.604 ( 4.220 2.540 2.281) 5.428 22.782 ( -0.302 -2.543 -2.982) 3.931 22.782 ( -0.302 2.543 -2.982) 3.931 23.216 ( -1.427 -2.029 1.204) 2.757 23.216 ( -1.427 2.029 1.204) 2.757 23.536 ( -0.648 -3.948 -0.967) 4.116 23.536 ( -0.648 3.948 -0.967) 4.116 23.860 ( 2.564 -0.705 -2.907) 3.940 23.860 ( 2.564 0.705 -2.907) 3.940 24.162 ( 4.731 -4.458 -0.709) 6.538 24.162 ( 4.731 4.458 -0.709) 6.538 ======================= Grid point 122 (68/96) ======================= q-point: (-0.22 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( -0.678 -14.688 5.788) 15.802 0.910 ( -0.678 14.688 5.788) 15.802 1.127 ( -11.256 -9.699 5.834) 15.963 1.127 ( -11.256 9.699 5.834) 15.963 1.585 ( -6.873 -15.487 2.960) 17.200 1.585 ( -6.873 15.487 2.960) 17.200 1.761 ( -2.849 -5.362 5.188) 7.986 1.761 ( -2.849 5.362 5.188) 7.986 1.906 ( -0.482 -3.970 -4.781) 6.233 1.906 ( -0.482 3.970 -4.781) 6.233 2.023 ( 3.606 -2.677 0.209) 4.496 2.023 ( 3.606 2.677 0.209) 4.496 2.272 ( 2.034 -2.359 -3.336) 4.564 2.272 ( 2.034 2.359 -3.336) 4.564 2.496 ( -2.721 -7.048 4.208) 8.648 2.496 ( -2.721 7.048 4.208) 8.648 2.640 ( -1.117 -3.689 0.526) 3.890 2.640 ( -1.117 3.689 0.526) 3.890 2.880 ( 0.813 -2.679 1.157) 3.029 2.880 ( 0.813 2.679 1.157) 3.029 2.973 ( 0.098 -2.329 3.567) 4.261 2.973 ( 0.098 2.329 3.567) 4.261 3.214 ( 7.184 -3.785 0.617) 8.143 3.214 ( 7.184 3.785 0.617) 8.143 3.280 ( 5.618 -4.960 -1.783) 7.703 3.280 ( 5.618 4.960 -1.783) 7.703 3.681 ( 2.145 -6.131 -1.533) 6.674 3.681 ( 2.145 6.131 -1.533) 6.674 3.884 ( -1.189 -6.269 3.108) 7.098 3.884 ( -1.189 6.269 3.108) 7.098 3.969 ( 1.047 -1.994 1.000) 2.464 3.969 ( 1.047 1.994 1.000) 2.464 4.323 ( -2.121 -1.603 -2.504) 3.652 4.323 ( -2.121 1.603 -2.504) 3.652 4.402 ( -0.106 -0.772 1.584) 1.766 4.402 ( -0.106 0.772 1.584) 1.766 4.546 ( -0.913 -4.190 -1.733) 4.625 4.546 ( -0.913 4.190 -1.733) 4.625 4.708 ( 0.363 -5.036 -0.770) 5.107 4.708 ( 0.363 5.036 -0.770) 5.107 4.853 ( -0.067 -4.776 -1.548) 5.021 4.853 ( -0.067 4.776 -1.548) 5.021 5.083 ( 0.390 -1.281 -1.643) 2.120 5.083 ( 0.390 1.281 -1.643) 2.120 5.210 ( 0.407 -4.587 -0.171) 4.608 5.210 ( 0.407 4.587 -0.171) 4.608 5.406 ( 2.305 -2.487 -0.131) 3.394 5.406 ( 2.305 2.487 -0.131) 3.394 5.665 ( 2.305 -2.874 -2.891) 4.683 5.665 ( 2.305 2.874 -2.891) 4.683 6.137 ( 1.482 -1.208 -2.561) 3.196 6.137 ( 1.482 1.208 -2.561) 3.196 6.338 ( 2.398 -3.812 -1.554) 4.764 6.338 ( 2.398 3.812 -1.554) 4.764 6.391 ( 4.411 -4.744 1.752) 6.711 6.391 ( 4.411 4.744 1.752) 6.711 6.690 ( -3.547 -1.276 3.219) 4.957 6.690 ( -3.547 1.276 3.219) 4.957 6.899 ( -1.336 -1.659 -1.590) 2.658 6.899 ( -1.336 1.659 -1.590) 2.658 8.625 ( 2.797 -1.468 -3.090) 4.419 8.625 ( 2.797 1.468 -3.090) 4.419 8.743 ( 0.591 -1.874 -0.081) 1.967 8.743 ( 0.591 1.874 -0.081) 1.967 9.109 ( -2.339 -4.990 -1.085) 5.617 9.109 ( -2.339 4.990 -1.085) 5.617 9.368 ( 0.421 -2.895 4.269) 5.175 9.368 ( 0.421 2.895 4.269) 5.175 9.622 ( -2.349 -2.634 0.497) 3.564 9.622 ( -2.349 2.634 0.497) 3.564 9.979 ( 1.410 -1.993 -2.618) 3.580 9.979 ( 1.410 1.993 -2.618) 3.580 10.392 ( -2.938 -2.859 1.004) 4.220 10.392 ( -2.938 2.859 1.004) 4.220 10.534 ( -15.796 -10.009 0.400) 18.704 10.534 ( -15.796 10.009 0.400) 18.704 11.151 ( 1.539 -1.663 -0.331) 2.290 11.151 ( 1.539 1.663 -0.331) 2.290 11.248 ( 0.853 -1.722 0.585) 2.009 11.248 ( 0.853 1.722 0.585) 2.009 11.947 ( -0.083 -2.245 1.083) 2.494 11.947 ( -0.083 2.245 1.083) 2.494 12.397 ( 2.286 -3.717 -3.280) 5.459 12.397 ( 2.286 3.717 -3.280) 5.459 20.248 ( -1.753 -0.134 -0.248) 1.776 20.248 ( -1.753 0.134 -0.248) 1.776 20.555 ( 4.336 -4.808 3.195) 7.220 20.555 ( 4.336 4.808 3.195) 7.220 21.595 ( -4.418 -2.229 4.776) 6.877 21.595 ( -4.418 2.229 4.776) 6.877 22.073 ( 2.991 -1.079 -3.946) 5.068 22.073 ( 2.991 1.079 -3.946) 5.068 22.189 ( -1.129 -1.421 -0.022) 1.815 22.189 ( -1.129 1.421 -0.022) 1.815 22.409 ( -3.745 -2.488 -3.928) 5.970 22.409 ( -3.745 2.488 -3.928) 5.970 22.698 ( 1.855 -3.485 2.800) 4.839 22.698 ( 1.855 3.485 2.800) 4.839 22.784 ( 2.956 -3.199 2.451) 4.997 22.784 ( 2.956 3.199 2.451) 4.997 23.212 ( -1.062 -2.595 1.131) 3.023 23.212 ( -1.062 2.595 1.131) 3.023 23.491 ( -2.641 -2.447 -2.394) 4.324 23.491 ( -2.641 2.447 -2.394) 4.324 23.889 ( 3.962 -1.085 -0.866) 4.198 23.889 ( 3.962 1.085 -0.866) 4.198 24.238 ( 6.164 -5.612 -1.228) 8.426 24.238 ( 6.164 5.612 -1.228) 8.426 ======================= Grid point 124 (69/96) ======================= q-point: (-0.11 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( -3.646 -9.449 5.440) 11.496 1.010 ( -3.646 9.449 5.440) 11.496 1.105 ( 0.670 -11.889 10.200) 15.679 1.105 ( 0.670 11.889 10.200) 15.679 1.509 ( -5.053 -18.284 4.947) 19.604 1.509 ( -5.053 18.284 4.947) 19.604 1.686 ( -5.033 -4.079 -6.406) 9.111 1.686 ( -5.033 4.079 -6.406) 9.111 1.976 ( 3.864 -3.453 10.101) 11.353 1.976 ( 3.864 3.453 10.101) 11.353 2.107 ( 4.840 -5.176 0.380) 7.097 2.107 ( 4.840 5.176 0.380) 7.097 2.247 ( -1.265 -1.163 -1.271) 2.137 2.247 ( -1.265 1.163 -1.271) 2.137 2.490 ( -2.738 -4.540 2.416) 5.826 2.490 ( -2.738 4.540 2.416) 5.826 2.680 ( 1.468 -4.309 5.233) 6.936 2.680 ( 1.468 4.309 5.233) 6.936 2.859 ( -1.616 -1.832 -0.409) 2.477 2.859 ( -1.616 1.832 -0.409) 2.477 3.058 ( 1.416 -4.855 7.026) 8.657 3.058 ( 1.416 4.855 7.026) 8.657 3.257 ( 3.039 -7.234 -2.273) 8.169 3.257 ( 3.039 7.234 -2.273) 8.169 3.420 ( 7.955 -7.013 1.558) 10.719 3.420 ( 7.955 7.013 1.558) 10.719 3.648 ( -2.008 -7.128 -4.462) 8.645 3.648 ( -2.008 7.128 -4.462) 8.645 3.852 ( -3.228 -7.733 2.087) 8.636 3.852 ( -3.228 7.733 2.087) 8.636 4.052 ( 4.095 -1.580 2.266) 4.940 4.052 ( 4.095 1.580 2.266) 4.940 4.271 ( -1.268 -3.289 -2.187) 4.148 4.271 ( -1.268 3.289 -2.187) 4.148 4.382 ( -2.340 -1.257 -0.656) 2.736 4.382 ( -2.340 1.257 -0.656) 2.736 4.490 ( -1.670 -3.403 -3.580) 5.214 4.490 ( -1.670 3.403 -3.580) 5.214 4.724 ( 0.244 -1.966 1.144) 2.288 4.724 ( 0.244 1.966 1.144) 2.288 4.838 ( 1.656 -2.662 -2.872) 4.252 4.838 ( 1.656 2.662 -2.872) 4.252 5.057 ( -0.291 -0.232 -1.255) 1.309 5.057 ( -0.291 0.232 -1.255) 1.309 5.239 ( 1.594 -3.056 -0.014) 3.447 5.239 ( 1.594 3.056 -0.014) 3.447 5.427 ( 1.010 -0.989 -1.021) 1.744 5.427 ( 1.010 0.989 -1.021) 1.744 5.671 ( 2.768 -4.137 -1.917) 5.334 5.671 ( 2.768 4.137 -1.917) 5.334 6.108 ( 1.440 -0.800 -4.488) 4.780 6.108 ( 1.440 0.800 -4.488) 4.780 6.337 ( 0.145 -3.872 -1.645) 4.209 6.337 ( 0.145 3.872 -1.645) 4.209 6.495 ( 3.905 -2.766 1.527) 5.023 6.495 ( 3.905 2.766 1.527) 5.023 6.701 ( -0.055 -5.239 3.803) 6.474 6.701 ( -0.055 5.239 3.803) 6.474 6.871 ( -0.981 -2.556 0.257) 2.750 6.871 ( -0.981 2.556 0.257) 2.750 8.612 ( 0.043 -1.637 -3.023) 3.438 8.612 ( 0.043 1.637 -3.023) 3.438 8.757 ( 3.329 -3.062 -2.499) 5.168 8.757 ( 3.329 3.062 -2.499) 5.168 9.105 ( 0.961 -3.457 2.219) 4.219 9.105 ( 0.961 3.457 2.219) 4.219 9.401 ( -2.790 -1.485 4.231) 5.281 9.401 ( -2.790 1.485 4.231) 5.281 9.602 ( 0.237 -4.146 -1.522) 4.423 9.602 ( 0.237 4.146 -1.522) 4.423 9.926 ( -3.571 -0.616 -3.938) 5.351 9.926 ( -3.571 0.616 -3.938) 5.351 10.300 ( -8.738 -5.221 -0.411) 10.187 10.300 ( -8.738 5.221 -0.411) 10.187 10.394 ( -3.897 -4.986 3.694) 7.327 10.394 ( -3.897 4.986 3.694) 7.327 11.180 ( 1.929 -0.750 0.320) 2.094 11.180 ( 1.929 0.750 0.320) 2.094 11.266 ( 0.242 -0.594 1.070) 1.248 11.266 ( 0.242 0.594 1.070) 1.248 11.970 ( 0.396 -2.164 2.277) 3.166 11.970 ( 0.396 2.164 2.277) 3.166 12.350 ( -0.323 -2.573 -6.914) 7.384 12.350 ( -0.323 2.573 -6.914) 7.384 20.221 ( -0.947 -0.425 -1.027) 1.460 20.221 ( -0.947 0.425 -1.027) 1.460 20.690 ( 4.560 -2.881 7.213) 9.007 20.690 ( 4.560 2.881 7.213) 9.007 21.576 ( -4.922 -2.229 4.695) 7.158 21.576 ( -4.922 2.229 4.695) 7.158 22.027 ( 0.163 -1.307 -6.568) 6.699 22.027 ( 0.163 1.307 -6.568) 6.699 22.201 ( 1.189 -1.580 0.867) 2.159 22.201 ( 1.189 1.580 0.867) 2.159 22.333 ( -1.418 -4.128 -2.613) 5.087 22.333 ( -1.418 4.128 -2.613) 5.087 22.747 ( 2.117 -3.197 2.855) 4.780 22.747 ( 2.117 3.197 2.855) 4.780 22.901 ( 3.410 -2.198 6.289) 7.484 22.901 ( 3.410 2.198 6.289) 7.484 23.201 ( -1.133 -1.884 -0.347) 2.226 23.201 ( -1.133 1.884 -0.347) 2.226 23.418 ( -2.190 -4.463 -2.636) 5.627 23.418 ( -2.190 4.463 -2.636) 5.627 23.950 ( 3.392 -2.567 0.979) 4.365 23.950 ( 3.392 2.567 0.979) 4.365 24.307 ( 5.176 -5.149 -2.594) 7.748 24.307 ( 5.176 5.149 -2.594) 7.748 ======================= Grid point 135 (70/96) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.975 ( -5.918 0.000 13.006) 14.289 1.138 ( 2.793 0.000 11.360) 11.698 1.199 ( 7.831 0.000 6.889) 10.430 1.212 ( 2.090 0.000 -6.272) 6.611 1.414 ( -7.831 0.000 -4.459) 9.012 1.538 ( 0.560 0.000 -12.276) 12.289 1.766 ( 5.060 0.000 2.262) 5.543 1.840 ( -7.142 0.000 -3.633) 8.013 2.050 ( 3.928 0.000 -0.213) 3.934 2.072 ( -2.944 0.000 -3.179) 4.332 2.230 ( -3.722 0.000 5.518) 6.656 2.247 ( 3.039 0.000 7.261) 7.871 2.293 ( 2.839 0.000 1.455) 3.190 2.350 ( -1.059 0.000 -2.384) 2.608 2.456 ( -2.769 0.000 -0.754) 2.870 2.561 ( -1.649 0.000 -7.530) 7.709 2.690 ( 6.462 0.000 9.765) 11.710 2.743 ( -1.386 0.000 1.804) 2.275 2.918 ( -2.369 0.000 1.590) 2.853 2.991 ( 1.035 0.000 -2.389) 2.603 3.160 ( -3.344 0.000 8.472) 9.108 3.176 ( 8.674 0.000 7.971) 11.780 3.274 ( 3.082 0.000 5.009) 5.881 3.375 ( -3.518 0.000 -4.429) 5.656 3.429 ( -2.538 0.000 -4.528) 5.191 3.436 ( -0.324 0.000 -6.942) 6.949 3.673 ( 4.394 0.000 3.401) 5.556 3.692 ( -2.029 0.000 1.342) 2.432 3.871 ( 3.872 0.000 0.500) 3.905 3.890 ( -5.260 0.000 1.286) 5.415 3.985 ( 2.397 0.000 0.169) 2.403 4.049 ( -1.423 0.000 -3.540) 3.815 4.239 ( 6.453 0.000 5.652) 8.578 4.280 ( -4.847 0.000 0.971) 4.943 4.314 ( 0.940 0.000 7.698) 7.755 4.448 ( -0.097 0.000 0.819) 0.825 4.448 ( -4.320 0.000 -0.968) 4.428 4.506 ( -1.613 0.000 -8.732) 8.879 4.541 ( 0.407 0.000 -1.246) 1.311 4.593 ( 2.076 0.000 -4.454) 4.914 4.801 ( 1.568 0.000 2.397) 2.864 4.834 ( -2.312 0.000 -1.364) 2.684 5.043 ( 5.505 0.000 3.956) 6.779 5.104 ( -6.776 0.000 -1.307) 6.901 5.240 ( -7.108 0.000 2.022) 7.390 5.269 ( 6.259 0.000 -0.478) 6.277 5.376 ( -1.965 0.000 -0.871) 2.149 5.399 ( 4.810 0.000 -2.819) 5.575 5.639 ( 1.418 0.000 3.527) 3.801 5.710 ( 0.871 0.000 -3.873) 3.970 6.041 ( -2.012 0.000 -0.250) 2.028 6.057 ( 1.287 0.000 -1.882) 2.280 6.243 ( 0.297 0.000 2.752) 2.768 6.328 ( -2.443 0.000 -5.359) 5.889 6.487 ( -1.799 0.000 -0.433) 1.851 6.517 ( 3.125 0.000 -3.659) 4.811 6.734 ( 3.148 0.000 -0.573) 3.199 6.740 ( -1.609 0.000 -0.989) 1.889 6.925 ( 0.285 0.000 4.970) 4.978 6.986 ( 0.587 0.000 -0.642) 0.870 8.447 ( 0.152 0.000 -0.962) 0.974 8.466 ( -0.469 0.000 -2.707) 2.748 8.657 ( -1.885 0.000 3.919) 4.349 8.733 ( 3.059 0.000 -3.419) 4.588 9.253 ( 3.804 0.000 1.810) 4.213 9.286 ( -4.153 0.000 -1.528) 4.425 9.348 ( 8.423 0.000 2.191) 8.704 9.369 ( -7.249 0.000 0.254) 7.254 9.586 ( -1.474 0.000 5.030) 5.241 9.686 ( -0.163 0.000 -4.927) 4.929 9.749 ( -1.638 0.000 2.837) 3.276 9.826 ( 1.240 0.000 -4.372) 4.544 10.280 ( -9.348 0.000 2.708) 9.733 10.302 ( 9.701 0.000 0.418) 9.710 10.401 ( -2.650 0.000 0.736) 2.750 10.423 ( -0.108 0.000 -1.225) 1.230 11.201 ( -0.198 0.000 0.081) 0.214 11.204 ( 0.713 0.000 -0.275) 0.764 11.296 ( 0.508 0.000 0.348) 0.615 11.311 ( -0.033 0.000 -1.209) 1.209 12.062 ( 1.848 0.000 2.670) 3.247 12.094 ( -0.666 0.000 -0.760) 1.010 12.096 ( -2.302 0.000 0.478) 2.352 12.120 ( 0.706 0.000 -1.668) 1.811 20.151 ( -0.947 0.000 -0.579) 1.110 20.158 ( 0.790 0.000 -1.251) 1.479 20.937 ( 0.212 0.000 2.360) 2.370 20.966 ( 1.784 0.000 -0.585) 1.878 21.648 ( -3.259 0.000 5.597) 6.477 21.765 ( 2.350 0.000 -6.054) 6.495 21.810 ( -10.565 0.000 3.495) 11.128 21.890 ( 6.943 0.000 -4.528) 8.289 22.219 ( -0.532 0.000 0.559) 0.771 22.229 ( 0.762 0.000 -0.467) 0.893 22.335 ( 3.708 0.000 1.879) 4.157 22.384 ( -2.924 0.000 -3.039) 4.218 22.706 ( -0.552 0.000 4.106) 4.143 22.780 ( 2.675 0.000 -3.220) 4.186 22.966 ( -1.544 0.000 0.187) 1.556 22.970 ( 0.417 0.000 -0.200) 0.462 23.291 ( -0.359 0.000 9.611) 9.618 23.340 ( 4.255 0.000 0.934) 4.357 23.345 ( -5.617 0.000 0.835) 5.679 23.477 ( 4.213 0.000 -8.593) 9.570 23.887 ( -4.095 0.000 2.882) 5.007 23.941 ( 7.729 0.000 -2.341) 8.075 24.255 ( 1.211 0.000 4.176) 4.349 24.337 ( -1.163 0.000 -3.800) 3.974 ======================= Grid point 136 (71/96) ======================= q-point: ( 0.11 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.057 ( -2.504 0.000 12.244) 12.498 1.146 ( -7.676 0.000 -8.494) 11.449 1.198 ( 10.448 0.000 -8.784) 13.649 1.282 ( 4.058 0.000 -10.981) 11.707 1.423 ( 1.000 0.000 15.023) 15.056 1.530 ( 9.987 0.000 1.342) 10.077 1.719 ( -2.911 0.000 -2.333) 3.731 1.900 ( 5.229 0.000 5.817) 7.822 1.999 ( -3.342 0.000 -1.347) 3.604 2.089 ( 1.858 0.000 0.358) 1.892 2.188 ( -6.489 0.000 0.012) 6.489 2.318 ( 2.634 0.000 -1.924) 3.262 2.319 ( 1.659 0.000 -4.126) 4.447 2.361 ( 2.997 0.000 2.038) 3.624 2.471 ( -2.856 0.000 8.228) 8.709 2.476 ( -0.874 0.000 -1.850) 2.046 2.712 ( 0.129 0.000 -5.457) 5.458 2.808 ( 2.917 0.000 -3.991) 4.944 2.946 ( 1.124 0.000 7.513) 7.596 2.971 ( 0.970 0.000 -3.412) 3.547 3.095 ( -8.191 0.000 -4.290) 9.246 3.248 ( -2.078 0.000 -7.899) 8.168 3.257 ( -4.364 0.000 -3.897) 5.851 3.377 ( 0.948 0.000 3.349) 3.480 3.384 ( -1.724 0.000 1.263) 2.137 3.433 ( 4.627 0.000 6.763) 8.194 3.612 ( -6.205 0.000 -3.267) 7.012 3.707 ( -2.149 0.000 -0.126) 2.153 3.796 ( -5.771 0.000 -0.993) 5.856 3.940 ( 3.038 0.000 2.961) 4.242 3.970 ( -4.000 0.000 -4.540) 6.050 4.048 ( 2.431 0.000 3.249) 4.057 4.167 ( -6.220 0.000 -5.645) 8.399 4.344 ( 2.087 0.000 0.694) 2.199 4.400 ( 1.358 0.000 -6.662) 6.799 4.449 ( 2.222 0.000 2.766) 3.548 4.456 ( 3.192 0.000 9.726) 10.236 4.512 ( 4.877 0.000 3.743) 6.147 4.565 ( 2.112 0.000 0.919) 2.303 4.586 ( 4.207 0.000 -4.386) 6.078 4.790 ( -1.278 0.000 -0.688) 1.451 4.840 ( -1.409 0.000 0.488) 1.491 4.998 ( -1.826 0.000 -1.243) 2.208 5.155 ( -6.732 0.000 2.162) 7.071 5.188 ( 5.593 0.000 4.454) 7.150 5.307 ( -4.857 0.000 -2.423) 5.428 5.344 ( 4.271 0.000 -0.413) 4.291 5.422 ( 2.789 0.000 -2.477) 3.730 5.633 ( -3.944 0.000 -4.944) 6.324 5.653 ( -2.768 0.000 1.953) 3.388 5.976 ( -6.556 0.000 1.417) 6.707 6.019 ( -4.075 0.000 -0.121) 4.076 6.248 ( -2.513 0.000 -2.739) 3.717 6.341 ( 5.324 0.000 5.845) 7.906 6.493 ( 1.865 0.000 0.723) 2.000 6.544 ( 3.719 0.000 -2.066) 4.254 6.686 ( -3.408 0.000 -0.914) 3.528 6.776 ( 3.216 0.000 -0.754) 3.303 6.949 ( -1.911 0.000 -4.895) 5.255 6.958 ( -0.874 0.000 2.971) 3.097 8.445 ( 0.199 0.000 -0.352) 0.404 8.458 ( 0.774 0.000 1.442) 1.637 8.660 ( -2.856 0.000 3.079) 4.200 8.720 ( 1.392 0.000 -4.789) 4.987 9.209 ( -3.269 0.000 -1.728) 3.698 9.275 ( -3.354 0.000 -1.480) 3.666 9.337 ( 4.164 0.000 1.959) 4.602 9.506 ( 9.156 0.000 -1.014) 9.212 9.636 ( -0.620 0.000 6.487) 6.517 9.656 ( 3.036 0.000 -3.698) 4.785 9.770 ( -1.241 0.000 4.156) 4.338 9.801 ( 1.631 0.000 -3.615) 3.966 10.193 ( -3.329 0.000 1.079) 3.499 10.420 ( 3.229 0.000 -2.428) 4.040 10.422 ( 1.762 0.000 2.170) 2.795 10.499 ( 12.954 0.000 2.482) 13.189 11.185 ( -1.897 0.000 -0.119) 1.900 11.200 ( -0.627 0.000 -0.620) 0.882 11.291 ( -0.739 0.000 -0.711) 1.026 11.303 ( -0.421 0.000 0.236) 0.483 12.056 ( -1.542 0.000 -2.216) 2.699 12.071 ( -1.841 0.000 1.288) 2.246 12.116 ( 1.303 0.000 1.617) 2.077 12.129 ( 1.631 0.000 -0.205) 1.643 20.148 ( 0.613 0.000 0.648) 0.892 20.172 ( 2.000 0.000 -0.107) 2.003 20.926 ( -3.267 0.000 -0.443) 3.297 20.936 ( -2.791 0.000 -2.804) 3.956 21.661 ( -4.500 0.000 6.354) 7.786 21.738 ( -6.227 0.000 6.332) 8.881 21.743 ( 3.144 0.000 -4.895) 5.818 21.972 ( 7.645 0.000 -1.034) 7.715 22.219 ( 0.025 0.000 0.373) 0.373 22.238 ( 1.171 0.000 -1.058) 1.578 22.305 ( -2.792 0.000 -2.462) 3.722 22.411 ( 3.403 0.000 1.691) 3.800 22.715 ( -2.799 0.000 1.725) 3.288 22.750 ( 0.200 0.000 -4.990) 4.994 22.959 ( -0.362 0.000 0.888) 0.959 22.983 ( 0.873 0.000 0.668) 1.099 23.245 ( -7.893 0.000 1.061) 7.964 23.362 ( 1.452 0.000 -6.181) 6.350 23.390 ( 0.810 0.000 5.245) 5.307 23.468 ( 5.902 0.000 -4.487) 7.414 23.831 ( -5.170 0.000 0.282) 5.177 23.985 ( 3.737 0.000 -5.117) 6.336 24.256 ( -3.128 0.000 -4.049) 5.117 24.305 ( -0.978 0.000 3.943) 4.063 ======================= Grid point 137 (72/96) ======================= q-point: ( 0.22 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.906 ( -5.874 0.000 -11.744) 13.131 1.174 ( -0.459 0.000 12.388) 12.397 1.209 ( 7.335 0.000 -13.673) 15.516 1.318 ( 14.036 0.000 -3.772) 14.534 1.616 ( 2.680 0.000 13.020) 13.293 1.706 ( 3.526 0.000 -1.569) 3.859 1.757 ( 13.549 0.000 2.618) 13.800 1.910 ( -5.556 0.000 -4.262) 7.002 2.026 ( 2.433 0.000 5.450) 5.968 2.081 ( -4.030 0.000 -2.977) 5.010 2.137 ( -0.054 0.000 4.189) 4.190 2.290 ( 1.966 0.000 -3.521) 4.033 2.337 ( 0.374 0.000 -1.592) 1.635 2.379 ( 1.276 0.000 -5.899) 6.035 2.423 ( -2.075 0.000 -8.124) 8.385 2.481 ( -1.414 0.000 3.017) 3.332 2.678 ( 1.681 0.000 -3.674) 4.040 2.774 ( 0.579 0.000 -4.078) 4.119 2.867 ( -8.079 0.000 -5.225) 9.622 2.979 ( -1.221 0.000 2.248) 2.558 3.040 ( 2.554 0.000 1.056) 2.764 3.094 ( -3.598 0.000 -7.954) 8.730 3.170 ( -1.758 0.000 -3.077) 3.543 3.315 ( -9.629 0.000 -2.565) 9.965 3.359 ( -4.591 0.000 2.195) 5.089 3.506 ( -2.663 0.000 -3.264) 4.212 3.584 ( 6.138 0.000 2.880) 6.780 3.629 ( -6.564 0.000 -1.017) 6.642 3.710 ( -3.988 0.000 -0.547) 4.026 3.821 ( -9.213 0.000 0.086) 9.214 3.974 ( -3.470 0.000 -8.686) 9.353 4.073 ( 4.311 0.000 4.374) 6.142 4.119 ( 0.605 0.000 3.816) 3.863 4.356 ( 0.425 0.000 -0.935) 1.027 4.361 ( 2.750 0.000 -5.509) 6.157 4.540 ( -0.041 0.000 -1.620) 1.620 4.549 ( 5.649 0.000 0.962) 5.731 4.584 ( 2.995 0.000 3.107) 4.315 4.651 ( 6.225 0.000 1.930) 6.518 4.684 ( 4.502 0.000 5.845) 7.378 4.759 ( -6.905 0.000 0.110) 6.906 4.786 ( 1.119 0.000 -0.046) 1.120 5.039 ( 1.437 0.000 2.389) 2.788 5.114 ( 1.549 0.000 1.904) 2.455 5.184 ( -6.760 0.000 -1.702) 6.971 5.295 ( 3.778 0.000 1.086) 3.931 5.391 ( 1.909 0.000 0.530) 1.982 5.438 ( 2.571 0.000 -3.057) 3.994 5.510 ( -4.514 0.000 -3.194) 5.530 5.630 ( -2.667 0.000 1.704) 3.165 5.902 ( -6.233 0.000 4.543) 7.713 5.960 ( -4.252 0.000 2.262) 4.816 6.169 ( -5.326 0.000 -1.030) 5.425 6.479 ( 4.547 0.000 2.847) 5.364 6.527 ( -0.127 0.000 1.199) 1.206 6.535 ( -2.803 0.000 -3.811) 4.731 6.649 ( -1.041 0.000 1.942) 2.203 6.811 ( 2.727 0.000 -2.758) 3.879 6.851 ( 1.035 0.000 -5.545) 5.640 6.974 ( -0.014 0.000 0.786) 0.786 8.457 ( -0.021 0.000 1.461) 1.461 8.497 ( 1.015 0.000 2.747) 2.929 8.653 ( -1.911 0.000 3.118) 3.657 8.678 ( 0.454 0.000 -4.282) 4.306 9.154 ( -0.796 0.000 -2.548) 2.669 9.237 ( -0.200 0.000 -0.403) 0.450 9.404 ( 1.942 0.000 -0.285) 1.963 9.554 ( 3.790 0.000 -4.542) 5.915 9.703 ( -1.867 0.000 7.674) 7.898 9.703 ( 6.516 0.000 -5.314) 8.408 9.795 ( 1.056 0.000 -0.297) 1.097 9.799 ( -1.353 0.000 4.305) 4.512 10.233 ( 6.816 0.000 1.800) 7.050 10.445 ( 3.592 0.000 -2.584) 4.425 10.482 ( 3.035 0.000 1.309) 3.305 10.765 ( 14.533 0.000 6.285) 15.834 11.142 ( -3.487 0.000 0.152) 3.490 11.174 ( -1.465 0.000 -0.887) 1.712 11.280 ( -2.243 0.000 -0.878) 2.409 11.284 ( 0.008 0.000 0.765) 0.765 12.008 ( -0.593 0.000 -2.999) 3.057 12.056 ( -2.156 0.000 1.255) 2.495 12.146 ( 0.901 0.000 0.803) 1.207 12.163 ( 1.475 0.000 1.890) 2.397 20.183 ( 2.098 0.000 1.602) 2.639 20.213 ( 2.671 0.000 0.811) 2.791 20.820 ( -6.289 0.000 -5.393) 8.285 20.827 ( -6.046 0.000 -4.040) 7.272 21.661 ( -5.025 0.000 7.248) 8.819 21.739 ( -4.658 0.000 7.050) 8.450 21.748 ( 4.030 0.000 -4.273) 5.874 22.080 ( 3.630 0.000 2.694) 4.521 22.224 ( 0.069 0.000 0.496) 0.501 22.235 ( 1.818 0.000 -2.761) 3.306 22.268 ( 0.293 0.000 -0.060) 0.299 22.478 ( 2.964 0.000 1.619) 3.377 22.669 ( -2.242 0.000 -1.664) 2.792 22.690 ( 0.108 0.000 -5.392) 5.393 22.968 ( 0.072 0.000 0.767) 0.770 22.991 ( -2.339 0.000 0.369) 2.368 23.148 ( -4.410 0.000 1.189) 4.568 23.288 ( 2.173 0.000 -10.248) 10.475 23.419 ( -1.223 0.000 -0.310) 1.262 23.521 ( 5.488 0.000 -2.696) 6.114 23.766 ( -2.709 0.000 0.257) 2.721 23.956 ( 0.950 0.000 -5.603) 5.683 24.162 ( -3.251 0.000 -3.227) 4.580 24.309 ( -3.346 0.000 2.526) 4.193 ======================= Grid point 138 (73/96) ======================= q-point: ( 0.33 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.767 ( 4.930 0.000 -9.769) 10.943 1.213 ( 10.126 0.000 -9.579) 13.939 1.332 ( 2.631 0.000 12.609) 12.881 1.508 ( 8.473 0.000 3.153) 9.041 1.721 ( -3.571 0.000 -8.512) 9.230 1.770 ( 5.373 0.000 -3.836) 6.602 1.808 ( 4.422 0.000 9.322) 10.317 1.873 ( -4.540 0.000 -10.712) 11.634 1.997 ( -1.111 0.000 -4.652) 4.783 2.037 ( -0.985 0.000 -7.450) 7.515 2.122 ( 2.414 0.000 -0.291) 2.432 2.214 ( 1.377 0.000 -11.753) 11.834 2.322 ( 1.493 0.000 3.072) 3.415 2.332 ( -1.349 0.000 4.905) 5.087 2.450 ( 8.041 0.000 -4.794) 9.361 2.476 ( -1.759 0.000 1.050) 2.049 2.622 ( -3.420 0.000 -0.298) 3.433 2.744 ( 0.287 0.000 -3.121) 3.134 2.759 ( -4.401 0.000 1.238) 4.572 2.952 ( -2.524 0.000 -6.292) 6.779 3.006 ( -3.742 0.000 5.383) 6.556 3.075 ( 0.918 0.000 -1.567) 1.816 3.133 ( -5.598 0.000 -4.426) 7.136 3.141 ( 2.367 0.000 -1.763) 2.951 3.304 ( -4.155 0.000 1.374) 4.376 3.363 ( -8.455 0.000 -6.673) 10.771 3.490 ( -8.766 0.000 -2.270) 9.055 3.622 ( 0.374 0.000 -2.689) 2.714 3.657 ( -3.744 0.000 0.724) 3.814 3.797 ( -2.163 0.000 -5.426) 5.841 3.819 ( -3.151 0.000 6.102) 6.868 4.118 ( -3.547 0.000 0.357) 3.565 4.206 ( 5.516 0.000 1.836) 5.813 4.366 ( 2.203 0.000 -0.145) 2.208 4.374 ( 3.361 0.000 0.567) 3.409 4.526 ( 1.889 0.000 -3.649) 4.108 4.634 ( 0.193 0.000 0.938) 0.958 4.639 ( 5.753 0.000 -0.338) 5.763 4.661 ( -5.547 0.000 1.436) 5.730 4.743 ( 1.607 0.000 0.342) 1.643 4.777 ( -0.379 0.000 6.413) 6.424 4.829 ( 5.363 0.000 -1.071) 5.469 5.042 ( -2.710 0.000 1.982) 3.358 5.103 ( -3.545 0.000 2.280) 4.215 5.256 ( 9.599 0.000 2.503) 9.920 5.314 ( -0.845 0.000 -1.493) 1.715 5.379 ( -2.768 0.000 -4.003) 4.867 5.428 ( 0.928 0.000 2.076) 2.274 5.481 ( 1.536 0.000 -0.537) 1.627 5.603 ( -2.196 0.000 -0.114) 2.199 5.919 ( -0.962 0.000 8.230) 8.286 5.958 ( -1.596 0.000 5.461) 5.689 6.076 ( -5.106 0.000 0.141) 5.108 6.360 ( -6.386 0.000 -10.218) 12.049 6.508 ( -2.714 0.000 0.116) 2.716 6.534 ( 1.062 0.000 -0.656) 1.249 6.692 ( 1.303 0.000 3.600) 3.829 6.808 ( 2.741 0.000 -2.951) 4.027 6.877 ( 4.802 0.000 -2.737) 5.527 6.967 ( -0.930 0.000 -0.904) 1.297 8.466 ( -1.360 0.000 1.947) 2.375 8.538 ( 1.276 0.000 0.414) 1.341 8.658 ( 0.838 0.000 -0.037) 0.838 8.687 ( 0.617 0.000 4.473) 4.515 9.120 ( 0.784 0.000 -3.678) 3.761 9.259 ( 1.721 0.000 1.996) 2.636 9.359 ( -2.743 0.000 -5.259) 5.931 9.592 ( 5.004 0.000 -1.998) 5.388 9.677 ( 0.077 0.000 -5.602) 5.603 9.738 ( -4.173 0.000 6.403) 7.642 9.824 ( -2.170 0.000 4.594) 5.081 9.838 ( 4.996 0.000 -1.832) 5.322 10.411 ( 10.462 0.000 2.720) 10.810 10.465 ( 2.585 0.000 -2.239) 3.419 10.541 ( 3.996 0.000 0.784) 4.072 11.028 ( 6.700 0.000 6.256) 9.167 11.089 ( -4.170 0.000 1.261) 4.357 11.138 ( -1.900 0.000 -1.558) 2.457 11.229 ( -1.061 0.000 -0.026) 1.062 11.312 ( 1.602 0.000 1.844) 2.443 11.980 ( 1.152 0.000 -2.484) 2.738 12.031 ( -2.698 0.000 0.844) 2.827 12.168 ( 0.940 0.000 0.832) 1.255 12.208 ( 0.114 0.000 3.200) 3.202 20.240 ( 2.560 0.000 1.686) 3.065 20.267 ( 2.789 0.000 1.115) 3.004 20.630 ( -5.864 0.000 -9.788) 11.410 20.672 ( -7.285 0.000 -4.740) 8.692 21.671 ( -4.400 0.000 6.532) 7.876 21.749 ( -4.733 0.000 8.191) 9.460 21.757 ( 3.335 0.000 -4.417) 5.534 22.089 ( -2.421 0.000 -1.331) 2.763 22.247 ( 1.033 0.000 1.482) 1.807 22.265 ( 3.457 0.000 -0.416) 3.482 22.303 ( 2.169 0.000 2.949) 3.661 22.536 ( 2.174 0.000 1.193) 2.480 22.642 ( 1.488 0.000 -4.888) 5.109 22.646 ( 1.658 0.000 -1.107) 1.994 22.901 ( -5.626 0.000 -2.875) 6.318 22.969 ( -0.127 0.000 -0.874) 0.883 23.174 ( 1.442 0.000 5.820) 5.996 23.213 ( 3.044 0.000 -9.442) 9.921 23.350 ( -3.352 0.000 -4.542) 5.645 23.566 ( 5.336 0.000 -4.163) 6.767 23.758 ( -0.915 0.000 2.235) 2.415 23.897 ( -0.521 0.000 -5.120) 5.146 24.099 ( -0.657 0.000 -2.023) 2.128 24.261 ( -5.111 0.000 0.769) 5.169 ======================= Grid point 139 (74/96) ======================= q-point: ( 0.44 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.838 ( 12.907 0.000 -2.345) 13.118 1.287 ( 9.825 0.000 -4.921) 10.988 1.441 ( -10.882 0.000 -4.917) 11.942 1.451 ( -16.441 0.000 -13.835) 21.488 1.544 ( 6.274 0.000 1.941) 6.568 1.693 ( 2.484 0.000 0.302) 2.502 1.780 ( -2.881 0.000 -1.878) 3.439 1.856 ( -3.943 0.000 -12.828) 13.421 1.999 ( 10.584 0.000 -1.347) 10.670 2.012 ( 7.820 0.000 5.226) 9.406 2.148 ( -3.588 0.000 2.551) 4.402 2.226 ( -0.556 0.000 -4.843) 4.875 2.318 ( -1.099 0.000 2.991) 3.187 2.348 ( -3.118 0.000 2.831) 4.212 2.465 ( 1.678 0.000 -3.799) 4.153 2.474 ( -0.193 0.000 0.086) 0.211 2.656 ( 2.852 0.000 4.491) 5.320 2.701 ( -2.131 0.000 -0.984) 2.347 2.760 ( 2.423 0.000 1.527) 2.864 2.863 ( 0.264 0.000 -6.310) 6.316 2.974 ( -2.002 0.000 0.344) 2.032 3.032 ( 0.555 0.000 -1.024) 1.165 3.125 ( -3.883 0.000 -1.973) 4.355 3.127 ( 3.040 0.000 -0.115) 3.042 3.164 ( -6.246 0.000 -5.156) 8.100 3.307 ( -5.280 0.000 -0.915) 5.359 3.354 ( 0.228 0.000 3.917) 3.924 3.600 ( -1.524 0.000 -1.225) 1.956 3.601 ( -4.750 0.000 1.343) 4.936 3.651 ( -0.538 0.000 -8.616) 8.632 3.904 ( -0.635 0.000 7.436) 7.463 4.064 ( -1.836 0.000 -1.561) 2.410 4.274 ( 3.545 0.000 -0.426) 3.571 4.376 ( 0.081 0.000 -4.166) 4.167 4.453 ( 0.947 0.000 4.920) 5.010 4.521 ( 1.645 0.000 1.290) 2.091 4.593 ( -4.022 0.000 2.267) 4.617 4.672 ( -1.225 0.000 -1.094) 1.642 4.679 ( 0.985 0.000 1.563) 1.848 4.786 ( 8.508 0.000 -4.684) 9.712 4.829 ( -3.780 0.000 6.985) 7.942 4.877 ( 4.288 0.000 -2.707) 5.071 5.027 ( -0.746 0.000 2.323) 2.439 5.096 ( -2.874 0.000 2.766) 3.988 5.259 ( -2.489 0.000 -2.782) 3.733 5.276 ( -2.610 0.000 -4.317) 5.045 5.399 ( 3.907 0.000 0.841) 3.996 5.442 ( -1.418 0.000 0.369) 1.465 5.543 ( 6.637 0.000 0.891) 6.697 5.576 ( -1.929 0.000 1.374) 2.368 6.020 ( 1.369 0.000 2.695) 3.023 6.023 ( -0.160 0.000 6.698) 6.700 6.049 ( -0.069 0.000 6.416) 6.417 6.183 ( -2.108 0.000 -7.547) 7.836 6.461 ( -2.021 0.000 -1.360) 2.436 6.510 ( -0.427 0.000 -3.940) 3.963 6.744 ( -0.320 0.000 3.466) 3.481 6.814 ( 2.389 0.000 -2.926) 3.777 6.909 ( 3.259 0.000 -2.584) 4.160 6.926 ( -2.589 0.000 -1.222) 2.863 8.467 ( -1.572 0.000 2.447) 2.909 8.542 ( 1.863 0.000 -3.226) 3.725 8.704 ( 1.223 0.000 4.232) 4.405 8.754 ( 1.064 0.000 3.605) 3.758 9.101 ( 2.103 0.000 -2.612) 3.353 9.234 ( -4.489 0.000 -6.042) 7.527 9.330 ( 2.708 0.000 4.260) 5.048 9.552 ( -2.387 0.000 -6.612) 7.030 9.693 ( 4.968 0.000 0.040) 4.968 9.725 ( -5.076 0.000 4.060) 6.500 9.829 ( -4.099 0.000 4.484) 6.075 9.890 ( 5.921 0.000 -3.908) 7.095 10.476 ( 0.955 0.000 -0.513) 1.084 10.501 ( 0.916 0.000 -0.812) 1.224 10.695 ( 10.253 0.000 4.770) 11.309 11.001 ( -8.294 0.000 -3.644) 9.059 11.053 ( -3.027 0.000 2.517) 3.937 11.102 ( 1.197 0.000 -2.230) 2.531 11.306 ( 2.354 0.000 5.151) 5.663 11.365 ( 2.638 0.000 0.988) 2.817 11.986 ( 2.435 0.000 -1.488) 2.853 11.995 ( -3.040 0.000 0.807) 3.145 12.199 ( 1.644 0.000 1.284) 2.086 12.227 ( -1.670 0.000 2.148) 2.720 20.289 ( 1.580 0.000 0.975) 1.856 20.314 ( 1.644 0.000 0.369) 1.685 20.473 ( -0.214 0.000 -7.342) 7.345 20.512 ( -6.467 0.000 -4.075) 7.644 21.668 ( -4.051 0.000 4.755) 6.247 21.751 ( 2.669 0.000 -4.241) 5.010 21.794 ( -3.285 0.000 10.205) 10.721 22.034 ( 0.753 0.000 -5.458) 5.510 22.272 ( 0.366 0.000 1.026) 1.089 22.291 ( 0.240 0.000 0.003) 0.240 22.400 ( 3.085 0.000 6.203) 6.927 22.561 ( 0.677 0.000 -0.653) 0.940 22.628 ( 2.959 0.000 -3.673) 4.717 22.662 ( -0.582 0.000 -0.710) 0.918 22.802 ( -2.794 0.000 -0.907) 2.938 22.936 ( -0.551 0.000 -4.207) 4.243 23.178 ( 3.512 0.000 -5.252) 6.318 23.239 ( -4.052 0.000 -3.980) 5.680 23.290 ( 1.266 0.000 9.513) 9.597 23.581 ( 4.718 0.000 -7.657) 8.994 23.769 ( -0.858 0.000 1.958) 2.138 23.831 ( -1.026 0.000 -3.570) 3.714 24.104 ( 3.283 0.000 -0.668) 3.350 24.179 ( -5.628 0.000 -0.255) 5.634 ======================= Grid point 140 (75/96) ======================= q-point: (-0.44 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.973 ( -17.392 0.000 -16.516) 23.985 1.090 ( 12.876 0.000 10.694) 16.738 1.225 ( -13.264 0.000 0.251) 13.267 1.398 ( 8.744 0.000 -1.374) 8.852 1.635 ( -4.375 0.000 4.426) 6.223 1.674 ( -5.199 0.000 0.449) 5.218 1.727 ( 3.057 0.000 -2.961) 4.256 1.783 ( 4.337 0.000 -1.897) 4.734 1.940 ( -21.144 0.000 3.799) 21.482 2.081 ( -2.795 0.000 6.073) 6.686 2.154 ( -0.143 0.000 -6.750) 6.752 2.222 ( 7.354 0.000 -0.123) 7.355 2.341 ( 2.623 0.000 1.731) 3.143 2.364 ( 1.747 0.000 0.212) 1.760 2.421 ( -5.902 0.000 -0.446) 5.919 2.473 ( 2.527 0.000 -0.743) 2.634 2.676 ( -0.580 0.000 0.541) 0.793 2.752 ( 4.878 0.000 1.834) 5.211 2.777 ( -0.428 0.000 -3.199) 3.227 2.838 ( 3.709 0.000 -4.867) 6.119 3.011 ( -3.092 0.000 -4.529) 5.484 3.029 ( 3.017 0.000 6.046) 6.757 3.041 ( -1.436 0.000 -1.138) 1.832 3.090 ( 5.205 0.000 1.411) 5.393 3.169 ( -5.472 0.000 -2.834) 6.163 3.241 ( 6.493 0.000 4.048) 7.651 3.478 ( 0.440 0.000 8.554) 8.565 3.483 ( -4.049 0.000 -6.973) 8.063 3.579 ( 2.160 0.000 0.907) 2.343 3.657 ( 6.831 0.000 -4.158) 7.997 3.970 ( -0.926 0.000 7.146) 7.206 4.024 ( -0.316 0.000 -2.862) 2.879 4.289 ( -4.331 0.000 -3.467) 5.547 4.316 ( 0.959 0.000 1.455) 1.743 4.494 ( -1.694 0.000 3.122) 3.552 4.553 ( -0.414 0.000 -4.092) 4.113 4.606 ( 1.592 0.000 6.319) 6.517 4.626 ( -1.938 0.000 -0.963) 2.164 4.689 ( -2.992 0.000 2.389) 3.829 4.805 ( -6.623 0.000 4.891) 8.233 4.813 ( 5.421 0.000 -9.311) 10.774 4.943 ( 6.842 0.000 -3.596) 7.729 5.064 ( -2.069 0.000 -0.768) 2.207 5.097 ( 4.645 0.000 3.240) 5.664 5.205 ( -1.849 0.000 1.281) 2.249 5.215 ( -1.484 0.000 0.268) 1.508 5.413 ( -1.660 0.000 -0.479) 1.727 5.444 ( 2.400 0.000 -0.207) 2.409 5.545 ( -4.247 0.000 0.508) 4.277 5.638 ( 5.665 0.000 -3.173) 6.493 6.047 ( -1.122 0.000 0.286) 1.158 6.056 ( 0.854 0.000 3.985) 4.076 6.126 ( 1.874 0.000 -0.827) 2.048 6.146 ( 2.085 0.000 -2.481) 3.241 6.442 ( 0.425 0.000 1.608) 1.663 6.461 ( 0.569 0.000 -2.776) 2.833 6.754 ( -2.835 0.000 2.834) 4.008 6.811 ( 1.171 0.000 -2.989) 3.210 6.872 ( -3.677 0.000 0.541) 3.717 6.925 ( 2.049 0.000 -1.263) 2.407 8.476 ( -1.193 0.000 2.886) 3.122 8.532 ( 2.374 0.000 -3.990) 4.643 8.766 ( 0.764 0.000 2.767) 2.870 8.772 ( -0.655 0.000 -1.297) 1.453 9.105 ( -4.259 0.000 -3.569) 5.556 9.145 ( 4.038 0.000 2.146) 4.573 9.427 ( 1.984 0.000 5.848) 6.176 9.431 ( -3.682 0.000 -5.769) 6.844 9.679 ( -5.170 0.000 1.921) 5.516 9.770 ( 5.168 0.000 -0.816) 5.232 9.806 ( -4.960 0.000 4.143) 6.463 9.926 ( 5.165 0.000 -4.891) 7.114 10.477 ( -2.478 0.000 -0.574) 2.544 10.482 ( -0.604 0.000 0.902) 1.086 10.796 ( -11.289 0.000 -5.134) 12.402 10.899 ( 7.719 0.000 6.413) 10.035 11.058 ( -0.015 0.000 2.245) 2.245 11.102 ( 2.341 0.000 -2.403) 3.355 11.354 ( -1.024 0.000 1.857) 2.120 11.392 ( 1.364 0.000 -2.780) 3.097 11.960 ( -2.834 0.000 1.114) 3.045 12.013 ( 2.767 0.000 -0.933) 2.920 12.210 ( -1.962 0.000 0.244) 1.977 12.245 ( 2.619 0.000 0.757) 2.726 20.308 ( -0.302 0.000 0.547) 0.624 20.311 ( -0.764 0.000 -1.345) 1.546 20.401 ( -3.693 0.000 -0.487) 3.725 20.477 ( 5.659 0.000 -0.757) 5.710 21.664 ( -3.335 0.000 4.527) 5.623 21.752 ( 3.636 0.000 -3.795) 5.255 21.873 ( -1.464 0.000 10.212) 10.316 21.983 ( 2.556 0.000 -8.229) 8.617 22.283 ( -0.527 0.000 1.011) 1.140 22.285 ( -0.751 0.000 0.063) 0.753 22.514 ( 2.374 0.000 5.080) 5.608 22.535 ( -0.914 0.000 -5.654) 5.727 22.588 ( -4.131 0.000 -1.403) 4.363 22.645 ( 3.163 0.000 -1.439) 3.475 22.814 ( -1.287 0.000 6.432) 6.559 22.865 ( -0.942 0.000 -5.451) 5.532 23.153 ( -2.825 0.000 -1.669) 3.281 23.199 ( 3.436 0.000 -0.626) 3.493 23.401 ( -1.689 0.000 9.614) 9.761 23.509 ( 0.399 0.000 -12.196) 12.202 23.784 ( 0.300 0.000 1.768) 1.793 23.804 ( 1.357 0.000 -1.558) 2.066 24.097 ( -4.542 0.000 0.074) 4.543 24.173 ( 5.502 0.000 0.264) 5.508 ======================= Grid point 141 (76/96) ======================= q-point: (-0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.618 ( -14.052 0.000 0.639) 14.066 1.037 ( -15.806 0.000 6.267) 17.003 1.423 ( 4.622 0.000 16.888) 17.509 1.526 ( 3.131 0.000 2.900) 4.267 1.535 ( -23.135 0.000 5.786) 23.848 1.620 ( 4.866 0.000 -3.619) 6.064 1.659 ( -1.272 0.000 6.676) 6.796 1.819 ( 3.211 0.000 9.660) 10.180 1.924 ( 4.621 0.000 0.298) 4.631 2.035 ( -2.067 0.000 -9.831) 10.046 2.039 ( -8.346 0.000 3.785) 9.164 2.205 ( -2.183 0.000 -2.939) 3.662 2.336 ( -6.454 0.000 3.522) 7.352 2.398 ( 1.573 0.000 -2.031) 2.569 2.440 ( 2.315 0.000 0.457) 2.360 2.471 ( -0.625 0.000 0.071) 0.629 2.679 ( 0.643 0.000 -3.704) 3.760 2.732 ( 0.099 0.000 -1.974) 1.976 2.803 ( 3.011 0.000 -4.695) 5.577 2.846 ( 3.507 0.000 3.469) 4.933 3.018 ( 4.407 0.000 1.414) 4.628 3.034 ( -2.986 0.000 2.009) 3.599 3.083 ( 3.974 0.000 0.624) 4.022 3.170 ( 2.400 0.000 -1.566) 2.866 3.225 ( 6.632 0.000 7.336) 9.889 3.366 ( 0.944 0.000 -5.546) 5.626 3.415 ( 8.338 0.000 5.232) 9.844 3.531 ( -2.417 0.000 6.432) 6.871 3.695 ( 7.808 0.000 2.559) 8.217 3.706 ( 4.737 0.000 -4.406) 6.469 3.981 ( 0.966 0.000 -6.139) 6.215 4.060 ( 2.689 0.000 6.720) 7.238 4.191 ( -5.638 0.000 0.364) 5.650 4.336 ( -1.228 0.000 2.157) 2.482 4.448 ( -6.021 0.000 -4.709) 7.644 4.471 ( -2.969 0.000 0.993) 3.130 4.608 ( -3.235 0.000 2.616) 4.160 4.636 ( -5.698 0.000 0.560) 5.726 4.706 ( 3.711 0.000 3.077) 4.821 4.773 ( -4.972 0.000 4.365) 6.616 4.778 ( 5.835 0.000 -9.576) 11.214 4.926 ( 1.024 0.000 -7.515) 7.584 5.066 ( 2.187 0.000 -0.402) 2.223 5.178 ( 3.782 0.000 -3.718) 5.304 5.228 ( -2.331 0.000 4.367) 4.951 5.242 ( 0.445 0.000 5.362) 5.380 5.367 ( -2.599 0.000 -1.838) 3.183 5.469 ( 1.237 0.000 -1.528) 1.965 5.487 ( -1.114 0.000 -0.872) 1.414 5.643 ( 2.846 0.000 -4.654) 5.456 6.053 ( 2.906 0.000 -2.224) 3.660 6.088 ( 0.639 0.000 -6.452) 6.484 6.115 ( 1.498 0.000 -5.606) 5.803 6.159 ( 4.092 0.000 8.260) 9.218 6.487 ( 2.725 0.000 1.628) 3.174 6.494 ( 0.992 0.000 3.296) 3.442 6.739 ( -3.535 0.000 3.753) 5.155 6.774 ( -0.517 0.000 -4.091) 4.124 6.822 ( -5.185 0.000 2.220) 5.641 6.945 ( 0.907 0.000 0.606) 1.091 8.495 ( -0.687 0.000 3.026) 3.103 8.524 ( 2.342 0.000 -3.914) 4.562 8.721 ( -1.297 0.000 -4.154) 4.351 8.767 ( -0.637 0.000 -2.646) 2.721 9.051 ( -1.659 0.000 2.306) 2.841 9.252 ( 3.812 0.000 4.858) 6.175 9.321 ( -3.092 0.000 -4.086) 5.124 9.505 ( -1.688 0.000 6.075) 6.305 9.619 ( -4.355 0.000 1.236) 4.527 9.783 ( -3.161 0.000 3.322) 4.586 9.826 ( 4.525 0.000 -2.520) 5.179 9.930 ( 3.189 0.000 -5.838) 6.652 10.425 ( -4.755 0.000 1.602) 5.017 10.454 ( -5.587 0.000 -0.974) 5.672 10.572 ( -8.854 0.000 -2.989) 9.345 11.072 ( 4.635 0.000 5.718) 7.361 11.091 ( 2.466 0.000 -0.280) 2.482 11.120 ( 2.974 0.000 -1.770) 3.461 11.315 ( -3.718 0.000 -7.898) 8.729 11.335 ( -1.893 0.000 -0.397) 1.934 11.937 ( -1.998 0.000 1.656) 2.595 12.046 ( 2.482 0.000 -0.583) 2.550 12.183 ( -1.197 0.000 -0.638) 1.356 12.274 ( 1.684 0.000 -2.662) 3.150 20.274 ( -1.758 0.000 -1.720) 2.459 20.285 ( -2.403 0.000 -0.538) 2.463 20.432 ( 2.881 0.000 8.316) 8.800 20.594 ( 7.446 0.000 2.669) 7.910 21.665 ( -3.602 0.000 4.729) 5.945 21.775 ( 4.929 0.000 -4.104) 6.413 21.928 ( 3.408 0.000 -9.059) 9.679 21.989 ( 2.860 0.000 8.647) 9.108 22.272 ( -0.555 0.000 -0.791) 0.966 22.275 ( -1.783 0.000 0.041) 1.784 22.403 ( -4.138 0.000 -7.164) 8.273 22.554 ( -0.308 0.000 -0.687) 0.753 22.560 ( -1.990 0.000 3.057) 3.647 22.658 ( -1.910 0.000 -1.928) 2.714 22.842 ( 3.991 0.000 1.483) 4.257 22.881 ( -0.869 0.000 7.703) 7.752 23.112 ( -1.822 0.000 0.525) 1.896 23.259 ( 2.032 0.000 2.566) 3.273 23.343 ( -3.041 0.000 -10.457) 10.890 23.450 ( -4.081 0.000 7.206) 8.282 23.812 ( 2.012 0.000 -2.880) 3.513 23.819 ( 0.785 0.000 2.743) 2.853 24.060 ( -1.089 0.000 1.838) 2.136 24.265 ( 5.713 0.000 0.252) 5.719 ======================= Grid point 142 (77/96) ======================= q-point: (-0.22 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.622 ( 0.535 0.000 16.318) 16.326 0.917 ( -13.029 0.000 13.256) 18.588 1.218 ( -22.045 0.000 6.838) 23.081 1.432 ( 0.341 0.000 -9.984) 9.990 1.639 ( -1.148 0.000 6.711) 6.808 1.754 ( -7.235 0.000 3.385) 7.987 1.770 ( 5.198 0.000 6.304) 8.170 1.879 ( 0.051 0.000 -11.672) 11.672 1.960 ( 0.604 0.000 17.094) 17.105 2.009 ( 3.441 0.000 3.020) 4.578 2.109 ( 3.992 0.000 14.511) 15.050 2.154 ( 1.423 0.000 -1.348) 1.960 2.291 ( -4.993 0.000 3.094) 5.874 2.316 ( -3.036 0.000 -4.883) 5.750 2.375 ( -3.843 0.000 -5.585) 6.780 2.517 ( 3.251 0.000 -0.035) 3.252 2.646 ( 0.462 0.000 -1.051) 1.148 2.727 ( -0.120 0.000 0.236) 0.264 2.862 ( 6.437 0.000 -1.009) 6.516 2.943 ( 2.342 0.000 5.534) 6.009 3.009 ( -3.401 0.000 4.104) 5.330 3.077 ( -5.292 0.000 -2.506) 5.855 3.110 ( 4.169 0.000 -1.868) 4.568 3.238 ( 10.402 0.000 3.784) 11.069 3.399 ( 3.232 0.000 8.170) 8.786 3.415 ( 8.108 0.000 -2.605) 8.516 3.568 ( -0.894 0.000 3.434) 3.548 3.597 ( 7.927 0.000 2.844) 8.422 3.708 ( 1.552 0.000 -1.305) 2.027 3.842 ( 6.375 0.000 3.636) 7.339 3.921 ( 2.928 0.000 -7.673) 8.213 4.122 ( -4.958 0.000 0.792) 5.021 4.180 ( 4.370 0.000 1.008) 4.484 4.307 ( -4.219 0.000 1.492) 4.475 4.309 ( -5.700 0.000 -1.526) 5.901 4.464 ( -1.830 0.000 4.362) 4.730 4.544 ( -6.242 0.000 0.218) 6.246 4.570 ( -3.868 0.000 2.468) 4.588 4.703 ( -5.799 0.000 -0.891) 5.867 4.778 ( 0.606 0.000 0.824) 1.023 4.799 ( 5.158 0.000 -4.309) 6.721 4.848 ( 0.593 0.000 -8.154) 8.176 5.085 ( 1.122 0.000 -1.348) 1.754 5.149 ( -6.213 0.000 -2.011) 6.530 5.168 ( 1.587 0.000 -1.446) 2.147 5.292 ( 0.070 0.000 1.787) 1.789 5.367 ( 0.696 0.000 2.791) 2.877 5.424 ( -2.304 0.000 -3.289) 4.016 5.496 ( 2.826 0.000 -0.782) 2.932 5.674 ( 5.044 0.000 -2.287) 5.539 6.032 ( 4.201 0.000 -8.012) 9.046 6.040 ( 2.757 0.000 -5.605) 6.246 6.153 ( 4.965 0.000 0.837) 5.035 6.374 ( 7.286 0.000 10.974) 13.172 6.519 ( -0.423 0.000 0.550) 0.694 6.542 ( 1.859 0.000 0.486) 1.922 6.716 ( -0.095 0.000 -4.314) 4.315 6.731 ( -3.092 0.000 3.895) 4.974 6.771 ( -4.952 0.000 3.594) 6.119 6.961 ( -0.395 0.000 1.411) 1.465 8.509 ( 1.030 0.000 -3.696) 3.837 8.518 ( -0.319 0.000 1.824) 1.852 8.657 ( -1.122 0.000 -3.005) 3.208 8.721 ( 0.578 0.000 -3.643) 3.689 9.087 ( 0.918 0.000 4.138) 4.239 9.253 ( -1.176 0.000 -1.872) 2.211 9.351 ( 1.491 0.000 4.469) 4.711 9.489 ( -5.593 0.000 2.651) 6.189 9.593 ( -4.282 0.000 4.643) 6.316 9.785 ( -0.752 0.000 1.346) 1.542 9.844 ( 2.965 0.000 -5.453) 6.208 9.890 ( 0.563 0.000 -5.543) 5.572 10.279 ( -8.943 0.000 -3.029) 9.442 10.377 ( -5.423 0.000 3.856) 6.654 10.495 ( -2.657 0.000 -0.071) 2.658 10.948 ( -13.996 0.000 -12.133) 18.522 11.151 ( 2.869 0.000 -0.765) 2.969 11.160 ( 1.962 0.000 0.466) 2.017 11.251 ( 2.941 0.000 1.971) 3.541 11.303 ( -1.034 0.000 -0.890) 1.364 11.945 ( -0.310 0.000 3.026) 3.042 12.074 ( 1.921 0.000 -0.407) 1.964 12.160 ( -0.635 0.000 -0.897) 1.099 12.227 ( -1.879 0.000 -4.503) 4.879 20.222 ( -1.814 0.000 -2.203) 2.854 20.236 ( -2.461 0.000 -1.291) 2.779 20.656 ( 9.214 0.000 11.234) 14.529 20.745 ( 6.628 0.000 3.992) 7.737 21.657 ( -4.411 0.000 4.747) 6.480 21.797 ( 4.903 0.000 -5.891) 7.664 21.889 ( 4.331 0.000 -8.083) 9.170 22.131 ( 4.191 0.000 1.182) 4.355 22.197 ( -6.324 0.000 -1.681) 6.544 22.248 ( -0.519 0.000 -1.640) 1.720 22.289 ( -2.609 0.000 -2.674) 3.736 22.519 ( -1.728 0.000 -1.999) 2.642 22.589 ( -0.117 0.000 4.659) 4.661 22.615 ( 0.452 0.000 2.724) 2.761 22.948 ( -0.151 0.000 4.484) 4.487 22.976 ( 6.720 0.000 2.455) 7.155 23.113 ( -1.588 0.000 4.986) 5.233 23.190 ( -1.442 0.000 -3.804) 4.068 23.361 ( 3.438 0.000 4.765) 5.876 23.448 ( -4.917 0.000 4.806) 6.875 23.798 ( 1.383 0.000 -3.003) 3.306 23.862 ( -0.198 0.000 3.695) 3.700 24.102 ( 2.302 0.000 2.981) 3.767 24.341 ( 4.274 0.000 -0.779) 4.344 ======================= Grid point 143 (78/96) ======================= q-point: (-0.11 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.879 ( 3.045 0.000 16.668) 16.944 0.962 ( -4.405 0.000 17.627) 18.169 1.052 ( -8.443 0.000 8.309) 11.846 1.308 ( 0.515 0.000 -11.769) 11.780 1.599 ( -9.292 0.000 -3.667) 9.989 1.654 ( -1.972 0.000 -1.111) 2.263 1.736 ( 2.350 0.000 -9.963) 10.237 1.952 ( 5.594 0.000 5.118) 7.582 1.975 ( -6.778 0.000 0.104) 6.778 2.118 ( 4.038 0.000 5.529) 6.847 2.159 ( -2.297 0.000 -4.190) 4.778 2.241 ( -5.503 0.000 4.199) 6.922 2.254 ( -0.502 0.000 -0.091) 0.510 2.340 ( 1.792 0.000 5.640) 5.917 2.432 ( 8.032 0.000 14.271) 16.376 2.522 ( 0.201 0.000 -4.330) 4.335 2.644 ( -0.797 0.000 -1.246) 1.480 2.733 ( -1.132 0.000 2.619) 2.853 2.939 ( 0.769 0.000 -1.041) 1.294 2.988 ( 3.293 0.000 1.744) 3.726 2.993 ( -2.115 0.000 3.279) 3.902 3.068 ( 1.523 0.000 7.736) 7.885 3.179 ( 2.772 0.000 3.312) 4.318 3.410 ( 2.750 0.000 2.585) 3.774 3.477 ( 5.296 0.000 -5.955) 7.970 3.510 ( 1.702 0.000 4.432) 4.748 3.546 ( 0.699 0.000 -2.529) 2.624 3.673 ( 1.020 0.000 1.563) 1.866 3.786 ( 6.288 0.000 1.115) 6.386 3.896 ( -0.607 0.000 2.516) 2.588 3.984 ( 3.133 0.000 -0.188) 3.138 4.083 ( 4.531 0.000 0.132) 4.533 4.133 ( -2.963 0.000 -5.406) 6.165 4.262 ( -3.472 0.000 5.057) 6.134 4.309 ( -2.619 0.000 3.930) 4.723 4.469 ( -4.281 0.000 1.384) 4.499 4.512 ( -1.364 0.000 4.119) 4.339 4.541 ( -1.717 0.000 1.096) 2.037 4.596 ( -3.605 0.000 -3.342) 4.916 4.702 ( -3.025 0.000 -10.681) 11.101 4.775 ( -0.549 0.000 0.589) 0.805 4.848 ( 3.011 0.000 -1.356) 3.302 5.009 ( -2.718 0.000 -2.761) 3.875 5.168 ( 5.734 0.000 0.881) 5.801 5.185 ( -3.355 0.000 2.426) 4.140 5.302 ( -0.835 0.000 0.588) 1.021 5.362 ( 0.896 0.000 -3.023) 3.153 5.395 ( -0.418 0.000 0.919) 1.009 5.554 ( 3.870 0.000 2.101) 4.404 5.710 ( 4.132 0.000 -3.780) 5.600 6.036 ( 5.220 0.000 -4.652) 6.992 6.042 ( 2.983 0.000 -2.606) 3.961 6.222 ( 2.024 0.000 0.589) 2.108 6.433 ( -3.958 0.000 -2.512) 4.688 6.533 ( -1.426 0.000 -0.296) 1.457 6.537 ( 0.181 0.000 -3.154) 3.159 6.700 ( 2.685 0.000 -1.939) 3.312 6.757 ( -1.634 0.000 1.824) 2.449 6.809 ( 4.217 0.000 8.181) 9.204 6.972 ( 0.094 0.000 1.270) 1.274 8.473 ( -0.296 0.000 -2.980) 2.995 8.509 ( -0.530 0.000 -2.525) 2.580 8.637 ( -0.989 0.000 2.437) 2.630 8.716 ( 2.969 0.000 -2.544) 3.910 9.166 ( 3.882 0.000 3.066) 4.947 9.248 ( 1.941 0.000 0.671) 2.053 9.362 ( -3.523 0.000 -0.203) 3.529 9.447 ( -5.227 0.000 3.951) 6.552 9.575 ( -4.287 0.000 4.484) 6.203 9.766 ( -2.468 0.000 0.206) 2.476 9.771 ( -1.446 0.000 -7.051) 7.197 9.855 ( 1.354 0.000 -4.121) 4.338 10.202 ( 1.766 0.000 -0.032) 1.766 10.345 ( -5.454 0.000 4.745) 7.229 10.453 ( -1.953 0.000 -0.952) 2.173 10.577 ( -16.258 0.000 -5.851) 17.279 11.185 ( 2.055 0.000 -0.193) 2.064 11.190 ( 1.196 0.000 0.339) 1.243 11.289 ( 0.131 0.000 -0.298) 0.326 11.307 ( 1.907 0.000 -0.065) 1.908 11.995 ( 1.515 0.000 3.773) 4.066 12.093 ( 1.237 0.000 -0.542) 1.351 12.140 ( -0.555 0.000 -1.222) 1.342 12.146 ( -3.022 0.000 -2.078) 3.667 20.177 ( -0.723 0.000 -2.078) 2.200 20.186 ( -1.968 0.000 -1.343) 2.382 20.871 ( 3.769 0.000 3.718) 5.294 20.881 ( 7.049 0.000 4.344) 8.280 21.645 ( -4.114 0.000 4.927) 6.419 21.792 ( 3.945 0.000 -6.663) 7.743 21.869 ( 4.484 0.000 -6.975) 8.292 21.977 ( -12.028 0.000 -1.833) 12.166 22.214 ( 0.366 0.000 1.258) 1.310 22.231 ( 0.013 0.000 -0.854) 0.855 22.271 ( 1.645 0.000 0.827) 1.841 22.458 ( -2.251 0.000 -2.965) 3.723 22.651 ( 0.597 0.000 4.949) 4.985 22.722 ( 6.275 0.000 1.466) 6.444 22.970 ( -0.014 0.000 0.219) 0.219 23.002 ( -1.731 0.000 -1.382) 2.215 23.183 ( -0.548 0.000 9.476) 9.492 23.244 ( 6.727 0.000 0.835) 6.778 23.412 ( -5.491 0.000 2.826) 6.175 23.468 ( 5.904 0.000 -1.626) 6.124 23.829 ( 6.020 0.000 0.093) 6.021 23.892 ( -1.883 0.000 4.035) 4.453 24.180 ( 2.608 0.000 3.572) 4.423 24.370 ( 1.659 0.000 -2.441) 2.951 ======================= Grid point 144 (79/96) ======================= q-point: ( 0.00 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( -0.642 -6.226 6.967) 9.366 1.059 ( -1.416 -0.167 6.242) 6.403 1.116 ( -3.202 -3.559 -4.693) 6.704 1.258 ( 2.355 3.757 -6.347) 7.742 1.520 ( 4.234 5.547 9.350) 11.667 1.583 ( -1.997 -2.962 2.226) 4.209 1.713 ( -4.949 -10.673 -1.964) 11.927 1.780 ( 2.058 7.368 -8.653) 11.550 1.961 ( 6.221 -2.992 3.824) 7.892 2.036 ( -4.455 -0.734 -4.008) 6.037 2.163 ( -3.962 -3.313 0.950) 5.251 2.217 ( 2.981 -5.281 -2.563) 6.583 2.416 ( -0.804 2.980 4.487) 5.446 2.440 ( 1.931 3.131 4.870) 6.103 2.520 ( 2.155 11.001 0.574) 11.225 2.591 ( -4.274 2.083 -2.957) 5.599 2.688 ( 0.425 1.873 12.228) 12.378 2.870 ( 2.940 4.757 -5.723) 8.002 2.919 ( 0.105 2.014 7.388) 7.658 2.980 ( 1.917 0.970 3.810) 4.374 3.102 ( -1.400 -2.001 1.887) 3.087 3.179 ( 2.107 -7.211 2.688) 7.979 3.236 ( 2.066 0.879 -0.839) 2.397 3.319 ( -2.906 -2.757 -5.777) 7.030 3.461 ( 0.870 0.088 1.251) 1.527 3.541 ( -1.745 1.490 -3.866) 4.496 3.612 ( 3.909 -3.598 3.570) 6.400 3.679 ( -2.871 -5.186 -1.975) 6.248 3.763 ( 1.321 1.339 4.606) 4.976 3.846 ( -2.561 4.062 -3.405) 5.886 4.099 ( 5.266 5.867 3.652) 8.688 4.158 ( -2.325 4.607 0.489) 5.184 4.197 ( 5.819 -3.446 2.703) 7.283 4.226 ( -5.244 -3.111 0.569) 6.124 4.340 ( 1.223 -1.032 1.666) 2.310 4.403 ( -4.118 -3.824 -0.485) 5.640 4.424 ( -0.638 -0.076 0.570) 0.859 4.498 ( 1.218 -1.725 0.267) 2.128 4.531 ( -2.377 0.654 -5.603) 6.121 4.591 ( 1.626 -0.722 -6.687) 6.919 4.830 ( -0.143 2.424 2.817) 3.719 4.864 ( -0.483 1.930 -0.987) 2.221 5.053 ( 4.393 1.130 3.534) 5.750 5.109 ( -4.428 0.103 -1.166) 4.580 5.228 ( -5.724 -0.738 1.730) 6.025 5.254 ( 4.182 -1.604 -0.349) 4.492 5.380 ( -0.800 0.453 -0.766) 1.196 5.398 ( 3.202 -0.155 -2.550) 4.096 5.654 ( 0.990 1.460 2.585) 3.130 5.713 ( 1.006 -0.026 -3.311) 3.461 6.031 ( -1.485 -0.350 -0.581) 1.633 6.045 ( 1.110 -0.786 -1.996) 2.416 6.259 ( 0.511 0.677 3.601) 3.699 6.356 ( -1.195 -1.977 -5.474) 5.941 6.466 ( -3.360 2.637 -0.916) 4.368 6.491 ( 4.572 0.262 -3.029) 5.491 6.714 ( -0.864 -0.952 3.318) 3.558 6.786 ( 1.839 0.183 -4.067) 4.467 6.899 ( -0.786 -1.284 4.674) 4.910 6.957 ( 0.698 -2.234 -0.775) 2.466 8.487 ( -0.483 3.163 0.052) 3.200 8.525 ( 0.225 3.551 -3.747) 5.168 8.670 ( -1.448 1.497 3.382) 3.972 8.741 ( 2.817 0.308 -3.438) 4.455 9.245 ( 3.593 -0.237 3.097) 4.750 9.292 ( -0.650 -0.623 -0.525) 1.042 9.337 ( 2.787 0.027 0.986) 2.957 9.370 ( -5.638 -0.166 -0.923) 5.716 9.595 ( -0.659 0.764 4.279) 4.396 9.663 ( -0.157 -1.898 -1.458) 2.398 9.749 ( -0.985 0.192 -0.130) 1.012 9.803 ( 0.469 -1.778 -4.006) 4.408 10.263 ( -3.333 -0.668 2.606) 4.283 10.295 ( 1.473 -1.177 -0.549) 1.964 10.398 ( 1.256 0.585 1.893) 2.346 10.430 ( -1.193 0.071 -1.249) 1.728 11.204 ( 0.314 0.283 0.236) 0.484 11.209 ( 0.387 0.289 -0.244) 0.541 11.289 ( 0.274 -0.441 0.440) 0.681 11.302 ( -0.102 -0.751 -0.736) 1.057 12.065 ( 1.207 0.328 3.406) 3.629 12.080 ( -0.285 -0.387 2.004) 2.061 12.130 ( -1.464 1.697 -2.838) 3.616 12.137 ( 0.012 1.114 -3.083) 3.278 20.159 ( -0.644 0.659 -0.537) 1.067 20.166 ( 0.526 0.547 -1.192) 1.413 20.921 ( 0.522 -1.102 2.663) 2.929 20.944 ( 1.296 -1.772 0.472) 2.246 21.644 ( -3.188 -0.277 5.048) 5.977 21.709 ( -2.299 -3.635 0.666) 4.353 21.827 ( -3.220 1.047 -1.656) 3.769 21.879 ( 4.927 -0.976 -4.852) 6.984 22.220 ( -0.154 0.204 0.347) 0.431 22.226 ( 0.239 0.319 -0.299) 0.498 22.291 ( 3.476 -2.655 1.281) 4.557 22.330 ( -2.219 -3.596 -2.567) 4.944 22.798 ( 0.226 6.503 4.461) 7.890 22.869 ( 2.521 5.737 -1.814) 6.523 22.976 ( -1.827 1.022 -0.839) 2.255 22.982 ( -0.437 0.931 -0.812) 1.311 23.227 ( 0.284 -4.678 7.901) 9.187 23.311 ( -3.283 -4.447 0.505) 5.550 23.346 ( 3.288 0.494 0.587) 3.376 23.397 ( 1.717 -3.677 -5.401) 6.756 23.958 ( -1.024 4.855 2.854) 5.725 24.018 ( 3.841 5.030 -2.790) 6.917 24.235 ( 1.007 -1.323 3.151) 3.563 24.312 ( -0.721 -2.258 -4.025) 4.672 ======================= Grid point 145 (80/96) ======================= q-point: ( 0.11 0.25 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( -1.822 -8.413 -5.401) 10.162 1.025 ( -0.290 -5.685 9.521) 11.093 1.208 ( 3.575 0.310 8.179) 8.932 1.254 ( 8.244 5.075 -7.339) 12.148 1.532 ( -2.099 6.221 -3.998) 7.688 1.620 ( 1.443 -8.482 -1.794) 8.789 1.720 ( 3.332 8.450 5.576) 10.658 1.774 ( 3.735 -6.554 1.126) 7.627 1.925 ( -3.330 -2.013 -5.420) 6.672 2.039 ( -2.644 -4.489 2.675) 5.856 2.137 ( 2.221 -3.445 1.837) 4.492 2.267 ( 4.230 -1.833 -0.443) 4.631 2.443 ( -0.971 2.806 -3.236) 4.392 2.460 ( 0.391 7.430 1.241) 7.544 2.507 ( -0.085 8.932 -2.338) 9.233 2.622 ( 4.375 4.180 5.454) 8.146 2.738 ( -3.870 4.245 -2.752) 6.369 2.832 ( 1.459 1.435 -4.511) 4.954 2.927 ( -2.209 -0.105 -0.703) 2.321 3.006 ( -0.129 2.599 -3.562) 4.411 3.135 ( -2.130 -2.842 -4.001) 5.350 3.159 ( 0.454 -6.462 4.500) 7.888 3.165 ( -5.326 -0.868 -2.502) 5.948 3.334 ( 2.081 -3.990 1.486) 4.739 3.442 ( -3.068 -0.899 -1.847) 3.692 3.477 ( -5.319 3.159 3.441) 7.079 3.582 ( -4.624 -2.373 -4.145) 6.648 3.689 ( 1.243 -5.474 3.191) 6.457 3.773 ( -1.244 -0.546 -2.787) 3.100 3.846 ( 1.886 6.637 4.073) 8.012 4.053 ( -5.097 5.792 -3.879) 8.636 4.108 ( -6.655 -3.492 -2.815) 8.025 4.208 ( 2.117 5.755 -0.495) 6.152 4.299 ( 1.419 -3.237 -2.946) 4.602 4.323 ( 1.655 -7.357 5.386) 9.267 4.438 ( -0.604 0.454 -1.423) 1.611 4.468 ( 6.050 -1.334 1.357) 6.343 4.511 ( 4.334 1.847 7.540) 8.891 4.533 ( 1.203 -1.754 -1.008) 2.354 4.599 ( 6.356 -0.900 -1.929) 6.703 4.818 ( -2.335 2.378 0.225) 3.341 4.863 ( -1.069 1.482 -0.182) 1.837 5.017 ( -2.539 1.810 -1.265) 3.365 5.129 ( -4.198 -2.133 1.093) 4.834 5.194 ( 2.319 0.675 3.967) 4.644 5.291 ( -1.618 -2.276 -1.603) 3.220 5.354 ( 1.514 1.513 -0.712) 2.256 5.416 ( 2.281 -0.745 -1.729) 2.957 5.651 ( -3.283 1.326 -4.015) 5.353 5.663 ( -2.412 0.768 1.221) 2.811 5.975 ( -5.489 0.252 1.298) 5.646 6.009 ( -3.826 -0.691 0.062) 3.889 6.274 ( -1.931 0.670 -4.059) 4.545 6.334 ( 2.249 -2.167 4.538) 5.509 6.435 ( -0.123 -0.102 0.541) 0.564 6.561 ( 6.290 1.195 -1.667) 6.616 6.681 ( -4.578 -0.322 0.694) 4.641 6.799 ( 3.131 -0.005 -1.217) 3.359 6.934 ( -0.284 -1.497 1.086) 1.872 6.939 ( 0.060 -0.701 -1.919) 2.044 8.492 ( -0.101 3.414 1.113) 3.592 8.505 ( 0.537 3.406 -0.126) 3.450 8.669 ( -3.012 0.836 2.735) 4.153 8.722 ( 0.686 -0.173 -4.556) 4.610 9.210 ( -3.169 0.203 -2.449) 4.010 9.258 ( -3.104 -1.406 -1.981) 3.942 9.360 ( 4.358 2.090 2.674) 5.524 9.486 ( 8.530 -2.038 1.372) 8.877 9.628 ( -0.291 0.065 -0.111) 0.318 9.662 ( 2.910 0.008 0.352) 2.931 9.757 ( -0.505 -0.841 1.432) 1.736 9.785 ( 1.432 -1.353 -0.139) 1.975 10.214 ( -1.947 1.915 1.137) 2.958 10.366 ( 3.267 -4.070 1.769) 5.510 10.434 ( 3.555 1.255 -1.874) 4.210 10.496 ( 9.127 -0.672 1.362) 9.252 11.190 ( -1.624 0.532 -0.443) 1.765 11.204 ( -0.567 0.273 -0.560) 0.843 11.286 ( -0.705 -0.375 -0.436) 0.910 11.295 ( -0.445 -0.619 0.289) 0.815 12.066 ( -1.676 0.687 -2.203) 2.853 12.075 ( -1.796 0.298 0.175) 1.829 12.126 ( 1.194 0.767 1.591) 2.132 12.137 ( 1.612 0.499 1.253) 2.101 20.160 ( 0.771 0.902 0.559) 1.311 20.176 ( 1.748 0.282 -0.091) 1.773 20.911 ( -3.143 -1.054 -1.448) 3.618 20.922 ( -2.719 -1.215 -1.784) 3.472 21.652 ( -3.747 -0.490 5.405) 6.595 21.697 ( -1.317 -2.052 2.702) 3.639 21.784 ( -0.801 2.252 -0.538) 2.450 21.922 ( 5.190 -3.811 -1.885) 6.710 22.229 ( 0.721 0.901 0.317) 1.197 22.234 ( 1.334 -0.275 -0.520) 1.458 22.263 ( -1.897 -1.964 -2.499) 3.701 22.360 ( 3.437 -3.685 0.873) 5.114 22.798 ( -3.747 5.961 -0.461) 7.056 22.840 ( -0.712 5.795 -3.508) 6.811 22.976 ( 0.505 1.594 1.880) 2.516 22.989 ( 0.560 0.346 1.028) 1.221 23.194 ( -7.243 -4.083 -0.254) 8.318 23.309 ( 0.225 -5.533 -1.020) 5.631 23.375 ( 3.368 0.288 -0.406) 3.404 23.438 ( 6.267 -1.677 -1.829) 6.740 23.919 ( -4.775 6.392 -0.539) 7.997 24.028 ( 1.554 2.927 -3.517) 4.832 24.234 ( -2.832 -1.688 -3.232) 4.616 24.278 ( -0.892 -2.267 3.028) 3.887 ======================= Grid point 146 (81/96) ======================= q-point: ( 0.22 0.25 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( -1.124 1.443 -3.657) 4.088 1.154 ( 0.333 -3.818 11.946) 12.546 1.259 ( 7.308 4.673 -10.923) 13.948 1.364 ( 8.056 3.234 2.384) 9.002 1.570 ( 6.935 0.146 5.316) 8.739 1.655 ( 7.461 -4.612 -3.438) 9.421 1.801 ( -2.636 -3.033 -3.777) 5.515 1.824 ( 3.508 2.513 0.664) 4.366 1.873 ( 2.513 -11.351 5.086) 12.689 2.011 ( -5.782 -5.993 3.595) 9.070 2.185 ( 2.022 -0.148 -2.990) 3.612 2.287 ( 0.139 -0.162 -4.861) 4.866 2.369 ( 2.146 5.879 -4.986) 8.002 2.446 ( -3.721 7.099 -6.207) 10.138 2.527 ( 4.026 6.666 -2.754) 8.260 2.577 ( -1.437 0.362 -9.609) 9.723 2.717 ( -0.783 5.468 3.611) 6.599 2.767 ( -0.212 0.566 -4.431) 4.473 2.911 ( -0.653 1.022 -1.560) 1.976 2.944 ( -6.505 -1.051 -3.735) 7.574 2.990 ( 1.479 -0.194 -2.500) 2.911 3.092 ( -3.760 -1.545 -2.758) 4.912 3.199 ( -4.561 -2.605 0.988) 5.345 3.296 ( -2.636 -4.053 -0.454) 4.856 3.336 ( -8.402 -0.482 -1.982) 8.646 3.468 ( -0.173 -0.050 2.303) 2.310 3.479 ( -5.355 -3.685 -2.703) 7.040 3.704 ( -1.314 5.646 1.330) 5.947 3.777 ( 0.425 -7.319 1.466) 7.477 3.887 ( -2.065 4.510 -1.680) 5.237 3.914 ( -5.490 7.698 0.420) 9.464 4.048 ( 2.057 -0.578 -0.075) 2.138 4.203 ( -1.865 2.385 -0.076) 3.028 4.244 ( -0.126 -5.038 -2.979) 5.854 4.429 ( 0.306 0.045 0.462) 0.556 4.462 ( 5.392 -4.953 2.221) 7.651 4.534 ( 2.188 -1.689 -2.489) 3.719 4.551 ( 4.174 -1.022 0.250) 4.305 4.676 ( 4.163 1.433 5.270) 6.867 4.699 ( 5.636 0.542 2.593) 6.227 4.780 ( -2.773 2.184 -0.343) 3.547 4.816 ( -1.608 1.522 -1.113) 2.478 5.027 ( 0.258 -0.347 2.408) 2.447 5.089 ( 0.120 -1.949 1.495) 2.459 5.192 ( -6.218 0.422 -1.685) 6.456 5.260 ( 2.023 -2.514 -0.456) 3.259 5.391 ( 1.880 0.521 0.607) 2.043 5.443 ( 2.822 -0.355 -0.860) 2.972 5.547 ( -3.667 2.649 -2.813) 5.327 5.622 ( -4.290 -0.704 0.772) 4.415 5.924 ( -4.535 1.539 4.626) 6.659 5.960 ( -3.649 0.042 2.539) 4.446 6.200 ( -3.407 2.745 -1.793) 4.728 6.402 ( 0.493 -5.884 2.208) 6.304 6.444 ( 0.068 -1.928 -0.793) 2.086 6.555 ( -4.071 -2.225 -0.663) 4.687 6.695 ( 3.661 3.751 1.228) 5.383 6.825 ( 2.089 0.084 -2.049) 2.927 6.881 ( 0.603 2.262 -4.268) 4.869 6.962 ( 0.774 -1.078 0.295) 1.360 8.502 ( 0.050 3.608 0.583) 3.656 8.538 ( 0.489 3.032 3.754) 4.850 8.656 ( -2.266 -0.078 2.355) 3.269 8.671 ( -0.137 -0.750 -3.460) 3.543 9.152 ( -0.482 0.041 -2.970) 3.009 9.213 ( -0.167 -1.983 -1.330) 2.393 9.434 ( 1.392 2.600 0.329) 2.968 9.573 ( 4.497 1.055 -3.694) 5.915 9.633 ( -0.892 -3.965 3.536) 5.387 9.687 ( 4.198 -1.758 -5.949) 7.490 9.795 ( 0.725 0.996 5.148) 5.294 9.831 ( 0.577 0.668 3.496) 3.606 10.260 ( 6.331 2.610 1.724) 7.061 10.435 ( 3.275 -3.157 1.324) 4.738 10.480 ( 4.923 2.292 -1.897) 5.752 10.691 ( 12.020 -5.704 3.467) 13.749 11.151 ( -2.490 0.889 -0.428) 2.678 11.180 ( -1.375 0.287 -0.835) 1.634 11.274 ( -1.333 -0.401 -0.556) 1.499 11.278 ( -1.045 -0.509 0.417) 1.235 12.015 ( -0.783 0.616 -2.895) 3.061 12.046 ( -1.653 -0.704 -0.490) 1.862 12.162 ( 0.673 1.536 2.284) 2.834 12.188 ( 1.057 1.225 3.534) 3.887 20.194 ( 2.040 0.825 1.407) 2.612 20.214 ( 2.486 0.029 0.789) 2.608 20.800 ( -5.704 -0.994 -5.478) 7.971 20.820 ( -5.879 -1.025 -4.429) 7.432 21.659 ( -3.430 0.117 5.747) 6.694 21.718 ( -0.604 -1.535 2.737) 3.196 21.782 ( -0.315 2.541 1.145) 2.805 21.979 ( 2.430 -6.669 0.897) 7.155 22.215 ( -0.101 -0.379 -1.324) 1.381 22.251 ( 1.576 -1.206 -0.464) 2.038 22.265 ( 3.023 2.432 -0.382) 3.899 22.420 ( 3.284 -4.180 0.734) 5.366 22.714 ( -3.547 4.358 -2.847) 6.299 22.782 ( -0.940 4.428 -3.717) 5.857 22.972 ( -2.660 -0.156 -0.992) 2.843 23.005 ( -2.571 -0.197 0.282) 2.594 23.107 ( -0.816 -0.478 0.825) 1.255 23.289 ( 1.861 -1.436 -4.028) 4.664 23.417 ( 1.543 0.250 -0.793) 1.753 23.505 ( 5.393 -1.417 -2.147) 5.975 23.832 ( -3.878 5.546 -1.603) 6.954 23.982 ( -1.494 1.267 -4.195) 4.630 24.157 ( -2.629 0.181 -2.315) 3.508 24.278 ( -3.236 -2.701 2.248) 4.777 ======================= Grid point 147 (82/96) ======================= q-point: ( 0.33 0.25 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( 3.695 8.576 -5.957) 11.076 1.237 ( 3.832 0.050 -2.046) 4.344 1.344 ( 7.842 1.337 4.642) 9.211 1.523 ( 5.192 0.918 5.439) 7.575 1.629 ( -2.766 -6.412 -7.854) 10.509 1.780 ( 12.660 2.572 -7.020) 14.703 1.794 ( 5.222 0.009 8.427) 9.914 1.884 ( -8.021 -2.460 -3.344) 9.031 1.938 ( 1.492 -4.704 0.945) 5.024 1.955 ( 4.602 -6.934 2.791) 8.777 2.114 ( -5.508 -1.460 -12.305) 13.560 2.129 ( -0.637 -1.808 -8.019) 8.245 2.259 ( -2.219 2.167 -10.546) 10.992 2.413 ( 6.177 0.093 -2.478) 6.657 2.449 ( -1.252 1.916 -3.987) 4.597 2.604 ( 0.864 3.529 0.773) 3.715 2.690 ( -3.479 1.197 -1.094) 3.838 2.743 ( -1.624 0.727 -1.773) 2.512 2.813 ( -3.898 7.561 1.529) 8.643 2.899 ( -0.849 0.232 0.112) 0.888 2.967 ( -1.951 -1.778 -5.530) 6.128 3.037 ( -3.102 -4.095 -0.983) 5.230 3.101 ( -1.711 -0.606 0.626) 1.920 3.210 ( -4.716 -1.864 -2.144) 5.506 3.258 ( -3.842 -1.156 -1.657) 4.341 3.341 ( -3.393 -5.349 -5.655) 8.491 3.479 ( -0.996 4.479 0.448) 4.610 3.656 ( -6.300 5.976 0.915) 8.732 3.760 ( -5.250 -1.726 -3.631) 6.613 3.824 ( 0.171 2.016 5.974) 6.307 3.905 ( -2.133 10.316 0.355) 10.540 4.126 ( 1.705 -1.600 4.038) 4.666 4.155 ( 0.773 -2.147 -1.291) 2.622 4.255 ( 2.853 -1.589 -1.458) 3.577 4.441 ( -3.499 -3.886 4.391) 6.828 4.500 ( 2.771 -1.606 -2.594) 4.121 4.576 ( 4.441 -1.052 -1.327) 4.753 4.606 ( 3.937 -1.305 -0.924) 4.249 4.711 ( -2.759 3.286 0.790) 4.363 4.777 ( -0.173 0.911 0.259) 0.962 4.806 ( 4.278 0.398 2.540) 4.991 4.812 ( 2.986 -0.200 0.996) 3.154 5.033 ( -2.581 -0.183 1.868) 3.191 5.084 ( -4.172 -1.423 0.196) 4.412 5.158 ( 1.895 -4.477 -0.139) 4.864 5.272 ( 0.927 -4.435 0.613) 4.572 5.399 ( 0.614 1.626 -1.606) 2.367 5.471 ( 2.650 0.788 -1.410) 3.103 5.513 ( -0.081 2.683 0.816) 2.806 5.572 ( -3.073 -1.336 1.802) 3.804 5.954 ( -0.633 1.695 7.248) 7.471 5.969 ( -0.983 0.779 5.382) 5.526 6.135 ( -3.329 5.703 0.031) 6.604 6.334 ( -4.523 -1.203 -6.262) 7.818 6.441 ( -0.451 -4.507 0.463) 4.553 6.501 ( -2.041 -3.765 -0.938) 4.385 6.745 ( 1.084 3.492 1.229) 3.857 6.821 ( 1.701 0.606 -2.495) 3.080 6.886 ( 3.835 1.217 -2.725) 4.860 6.961 ( -0.102 -0.787 -1.308) 1.530 8.501 ( -1.166 2.926 0.998) 3.304 8.580 ( 0.395 3.216 0.224) 3.248 8.639 ( 0.493 -1.467 1.424) 2.103 8.695 ( 0.716 0.039 4.146) 4.207 9.122 ( 1.246 0.504 -3.411) 3.666 9.222 ( 1.871 -2.883 0.510) 3.474 9.388 ( -2.996 2.522 -4.543) 5.998 9.580 ( -1.543 -4.291 -4.085) 6.123 9.637 ( 3.711 1.028 0.216) 3.857 9.725 ( 2.405 -1.297 1.354) 3.050 9.838 ( -2.076 1.271 3.572) 4.323 9.867 ( 1.015 1.232 1.041) 1.906 10.408 ( 7.241 0.436 1.543) 7.416 10.485 ( 2.482 -0.803 -0.423) 2.643 10.554 ( 7.330 3.529 0.450) 8.148 10.901 ( 7.054 -9.213 4.714) 12.524 11.118 ( -1.329 1.588 0.251) 2.086 11.146 ( -1.830 0.506 -1.110) 2.199 11.226 ( -2.217 -0.013 -0.938) 2.407 11.287 ( 0.380 -2.089 1.124) 2.402 11.982 ( 0.483 0.308 -2.458) 2.524 12.014 ( -1.772 -1.123 -0.625) 2.189 12.200 ( 0.646 2.607 2.730) 3.829 12.242 ( -0.194 1.769 4.481) 4.822 20.247 ( 2.415 0.508 1.489) 2.882 20.265 ( 2.627 -0.197 1.079) 2.847 20.626 ( -5.476 -0.073 -8.732) 10.307 20.662 ( -6.682 -0.940 -5.514) 8.714 21.672 ( -3.174 0.334 4.990) 5.924 21.730 ( -1.246 -1.312 1.657) 2.453 21.800 ( -0.361 3.142 3.221) 4.514 22.006 ( 0.019 -5.828 0.757) 5.877 22.222 ( 1.820 -0.616 -0.380) 1.959 22.273 ( 1.574 -1.452 -0.439) 2.186 22.321 ( 3.706 2.686 1.580) 4.842 22.479 ( 3.402 -4.065 0.742) 5.352 22.645 ( -1.432 3.013 -2.348) 4.079 22.742 ( 0.774 3.587 -2.722) 4.569 22.863 ( -5.910 -2.222 -4.104) 7.530 22.951 ( -1.036 -2.745 -3.741) 4.754 23.160 ( 1.784 2.163 3.149) 4.216 23.282 ( 1.461 1.059 -1.654) 2.447 23.393 ( -0.752 4.144 -3.317) 5.361 23.555 ( 4.564 -1.283 -2.716) 5.464 23.786 ( -1.037 2.921 -0.013) 3.100 23.903 ( -2.068 -0.067 -4.192) 4.675 24.107 ( -0.933 1.151 -1.482) 2.096 24.232 ( -4.726 -2.583 0.610) 5.420 ======================= Grid point 148 (83/96) ======================= q-point: ( 0.44 0.25 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( 9.708 6.223 -3.663) 12.099 1.252 ( 1.576 -5.577 -7.142) 9.198 1.413 ( -4.372 2.303 -7.627) 9.088 1.502 ( -8.233 3.221 1.482) 8.964 1.609 ( 2.959 3.732 -5.867) 7.557 1.664 ( 1.345 -1.725 2.535) 3.349 1.789 ( -5.406 -0.136 -4.692) 7.159 1.853 ( -3.691 -0.894 -11.214) 11.840 1.994 ( 4.750 -1.240 5.306) 7.228 2.022 ( 11.581 1.356 -1.024) 11.705 2.072 ( -1.228 -9.146 4.888) 10.443 2.114 ( -0.271 -4.256 1.610) 4.559 2.217 ( 8.328 -1.060 -4.264) 9.416 2.358 ( -4.448 -2.607 -3.640) 6.311 2.481 ( 1.974 0.464 -1.376) 2.451 2.509 ( -6.527 2.899 -2.364) 7.523 2.667 ( 1.292 -2.518 -0.827) 2.949 2.713 ( -0.121 -2.906 0.678) 2.986 2.752 ( -6.260 3.300 -0.292) 7.082 2.889 ( -1.439 -1.998 -0.733) 2.569 2.923 ( 1.073 2.444 -1.575) 3.099 3.018 ( 4.324 -0.677 0.497) 4.405 3.060 ( -5.367 -3.164 -0.091) 6.231 3.141 ( -4.033 0.249 -1.139) 4.198 3.174 ( -0.244 1.611 -2.662) 3.121 3.275 ( 0.452 -5.034 -5.614) 7.554 3.465 ( 0.417 9.565 0.644) 9.596 3.583 ( -5.458 2.844 0.387) 6.167 3.665 ( -2.623 3.085 1.371) 4.275 3.821 ( -1.926 2.785 -4.833) 5.901 3.927 ( -0.077 6.734 8.377) 10.748 4.142 ( 0.256 6.431 -3.026) 7.112 4.201 ( 1.538 -4.743 2.595) 5.621 4.284 ( 1.431 -3.738 -0.706) 4.064 4.442 ( -1.842 -6.728 6.288) 9.392 4.525 ( 2.077 -0.581 -0.529) 2.221 4.597 ( -1.868 1.856 0.109) 2.635 4.627 ( 1.632 -1.459 -2.217) 3.115 4.720 ( 1.768 1.533 -0.409) 2.376 4.754 ( 1.277 -1.087 -1.869) 2.511 4.858 ( 0.564 0.223 -0.184) 0.634 4.883 ( 0.836 0.385 2.249) 2.430 5.000 ( -1.038 -1.077 1.833) 2.366 5.060 ( -1.283 -2.686 0.569) 3.031 5.152 ( 0.232 -3.598 -0.157) 3.609 5.275 ( -1.902 -2.102 -0.289) 2.849 5.409 ( 2.694 -0.700 -2.448) 3.707 5.472 ( -0.460 -0.093 -1.485) 1.558 5.550 ( 3.453 2.234 1.592) 4.410 5.580 ( -0.193 0.511 2.293) 2.357 6.026 ( -0.693 1.034 4.933) 5.088 6.046 ( 1.519 0.253 5.769) 5.971 6.113 ( -0.892 6.266 2.331) 6.745 6.217 ( -1.079 2.623 -4.135) 5.015 6.416 ( -1.597 -3.670 -1.568) 4.298 6.461 ( -0.300 -4.452 -3.120) 5.445 6.767 ( -0.595 1.832 1.981) 2.763 6.815 ( 0.760 -0.024 -2.135) 2.267 6.909 ( 2.410 0.435 -2.192) 3.287 6.934 ( -0.633 0.118 -2.046) 2.144 8.499 ( -0.971 2.629 1.759) 3.309 8.566 ( 1.153 1.454 -3.101) 3.614 8.696 ( 0.969 -0.186 4.661) 4.765 8.753 ( 0.687 -0.537 2.904) 3.032 9.119 ( 2.672 1.836 -1.742) 3.680 9.248 ( -1.971 0.045 -3.686) 4.180 9.301 ( 0.544 -0.987 1.101) 1.576 9.481 ( -3.636 -5.373 -5.044) 8.218 9.714 ( 4.405 1.767 0.932) 4.836 9.752 ( -2.754 1.194 3.083) 4.303 9.833 ( -2.755 0.686 2.746) 3.950 9.888 ( 3.413 -0.432 -2.790) 4.430 10.469 ( 1.406 -0.179 -0.119) 1.423 10.498 ( 0.162 -0.632 -0.987) 1.183 10.725 ( 9.346 3.025 4.031) 10.618 10.953 ( -3.408 -4.279 -0.842) 5.534 11.085 ( -3.782 2.519 0.859) 4.624 11.116 ( 1.062 1.189 -1.831) 2.428 11.242 ( 2.301 -4.255 2.575) 5.480 11.305 ( 0.508 -4.736 0.322) 4.774 11.972 ( 0.679 -0.576 -1.271) 1.552 11.980 ( -1.386 -0.885 -0.588) 1.746 12.247 ( 1.500 3.320 2.588) 4.468 12.274 ( -1.285 2.669 3.000) 4.216 20.293 ( 1.517 0.312 0.973) 1.829 20.311 ( 1.587 -0.312 0.642) 1.740 20.477 ( -1.228 0.430 -6.625) 6.752 20.508 ( -5.243 -0.452 -4.653) 7.024 21.672 ( -3.255 0.477 3.994) 5.174 21.722 ( -0.846 -1.535 0.308) 1.780 21.847 ( -0.031 3.615 5.521) 6.599 22.006 ( 1.297 -2.466 -2.429) 3.696 22.244 ( 0.619 -1.413 0.505) 1.623 22.281 ( 0.748 -1.449 -1.202) 2.026 22.417 ( 3.680 1.798 5.002) 6.464 22.539 ( 3.380 -2.759 0.331) 4.376 22.607 ( -1.076 1.053 -1.474) 2.107 22.715 ( -2.833 1.798 -5.800) 6.700 22.752 ( -1.154 -2.298 0.444) 2.610 22.887 ( -0.458 -3.696 -5.479) 6.626 23.203 ( 1.889 2.204 0.023) 2.903 23.261 ( -3.175 0.528 -0.957) 3.358 23.387 ( 1.294 6.988 3.117) 7.760 23.574 ( 3.355 -0.901 -5.045) 6.125 23.785 ( 0.185 1.525 0.367) 1.579 23.836 ( -0.991 0.178 -3.139) 3.296 24.102 ( 2.099 0.018 -0.687) 2.209 24.158 ( -4.768 -1.766 -0.280) 5.092 ======================= Grid point 149 (84/96) ======================= q-point: (-0.44 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( -13.391 1.006 -12.813) 18.560 1.068 ( 7.290 -2.469 5.441) 9.425 1.336 ( -6.985 9.827 0.103) 12.057 1.388 ( 2.123 0.530 2.449) 3.284 1.602 ( -6.977 -4.241 2.469) 8.530 1.667 ( -4.690 -0.352 3.241) 5.711 1.748 ( 3.305 1.733 -3.393) 5.044 1.804 ( 7.707 0.782 -1.204) 7.840 1.962 ( -15.748 1.883 3.070) 16.155 2.039 ( -4.606 -3.310 3.178) 6.502 2.123 ( 4.248 -2.518 -1.562) 5.180 2.189 ( 3.759 -6.253 -4.543) 8.595 2.238 ( -5.632 -2.490 -3.942) 7.311 2.292 ( 3.277 -3.063 1.929) 4.882 2.451 ( -0.874 0.999 0.461) 1.405 2.493 ( 5.871 0.685 -0.699) 5.952 2.667 ( -2.550 -0.321 -0.609) 2.641 2.737 ( 5.635 -3.172 1.049) 6.550 2.765 ( 2.062 -2.098 4.920) 5.733 2.795 ( -1.552 -0.786 -6.190) 6.430 2.970 ( -3.953 -1.954 -1.951) 4.822 2.987 ( 2.631 -3.134 4.407) 6.014 3.070 ( -2.577 2.009 -1.031) 3.426 3.132 ( 5.842 2.151 1.461) 6.395 3.170 ( 0.216 -1.906 2.265) 2.968 3.202 ( -0.272 0.980 -5.304) 5.401 3.496 ( -1.791 4.818 -1.312) 5.305 3.544 ( 5.188 5.608 1.742) 7.836 3.701 ( 0.093 4.587 3.561) 5.808 3.769 ( 4.056 2.501 -3.322) 5.809 4.019 ( -0.516 4.287 6.859) 8.105 4.079 ( -0.127 7.920 -5.452) 9.616 4.214 ( -4.920 -4.356 2.318) 6.968 4.292 ( 2.545 -2.209 -1.651) 3.753 4.497 ( -3.108 -2.241 0.630) 3.883 4.538 ( -0.616 -4.213 5.535) 6.983 4.575 ( 1.658 -0.914 -2.225) 2.922 4.604 ( -1.106 -1.230 -1.016) 1.941 4.710 ( -1.758 2.053 0.349) 2.726 4.768 ( 2.301 -0.975 -4.363) 5.028 4.829 ( -4.300 0.514 2.465) 4.983 4.915 ( 3.637 -2.799 -0.233) 4.595 5.025 ( -0.811 -1.922 0.866) 2.259 5.067 ( 3.506 -2.971 -0.808) 4.666 5.190 ( -2.501 1.277 -2.935) 4.062 5.220 ( 3.998 1.317 2.170) 4.735 5.419 ( -3.338 -1.642 -1.958) 4.204 5.443 ( 1.319 -3.200 0.924) 3.582 5.558 ( -2.816 2.992 0.711) 4.170 5.632 ( 4.518 -0.003 -2.300) 5.070 6.054 ( -0.257 1.281 2.872) 3.155 6.092 ( 2.027 0.753 -1.634) 2.710 6.151 ( -0.136 4.170 3.733) 5.598 6.203 ( 2.232 4.068 -3.556) 5.846 6.398 ( 0.327 -3.883 1.660) 4.235 6.424 ( 1.111 -3.457 -3.115) 4.785 6.765 ( -2.851 0.955 2.141) 3.691 6.800 ( -0.689 -0.547 -0.301) 0.929 6.893 ( -1.425 1.287 -1.248) 2.290 6.924 ( 1.610 -0.152 -1.339) 2.100 8.511 ( -0.431 2.750 2.116) 3.497 8.553 ( 1.979 1.431 -3.430) 4.211 8.755 ( 0.630 -0.824 2.838) 3.021 8.763 ( -0.623 -0.834 -1.261) 1.635 9.135 ( -4.261 2.726 -3.551) 6.180 9.174 ( 3.873 2.494 2.156) 5.086 9.367 ( -3.748 -4.848 -4.116) 7.382 9.381 ( 2.723 -3.826 4.505) 6.507 9.713 ( -5.014 2.226 1.362) 5.653 9.766 ( -1.521 -0.185 2.145) 2.636 9.832 ( 1.210 1.978 0.933) 2.500 9.915 ( 4.952 -1.028 -4.141) 6.537 10.472 ( -2.281 -0.277 -0.352) 2.324 10.479 ( -0.502 -0.338 0.779) 0.986 10.808 ( -9.942 1.330 -4.031) 10.810 10.891 ( 5.046 -0.947 4.777) 7.013 11.078 ( -0.173 1.812 1.926) 2.650 11.117 ( 2.174 1.405 -1.936) 3.232 11.292 ( -0.366 -5.590 -0.310) 5.610 11.295 ( -0.038 -6.296 -0.409) 6.309 11.950 ( -1.871 -0.253 0.645) 1.995 11.982 ( 1.386 -1.734 -0.600) 2.299 12.273 ( -0.995 4.024 0.261) 4.153 12.302 ( 2.915 3.234 0.612) 4.396 20.306 ( -1.143 0.079 0.056) 1.147 20.314 ( -0.813 0.044 -0.271) 0.859 20.413 ( -1.827 0.999 -0.726) 2.206 20.467 ( 4.633 -0.899 -0.873) 4.799 21.669 ( -3.034 0.480 3.956) 5.009 21.720 ( 0.397 -1.981 0.133) 2.025 21.916 ( 0.776 2.944 5.125) 5.961 21.988 ( 2.754 0.220 -6.163) 6.754 22.250 ( -1.080 -1.953 1.402) 2.636 22.271 ( -0.126 -1.740 -1.450) 2.269 22.524 ( 1.389 0.704 2.144) 2.650 22.537 ( -0.980 0.226 -4.699) 4.806 22.584 ( -3.213 -0.127 0.250) 3.225 22.630 ( 2.683 -1.242 0.372) 2.980 22.773 ( -0.874 -1.908 4.344) 4.825 22.817 ( -0.497 -2.974 -4.937) 5.785 23.197 ( -2.862 2.884 0.068) 4.064 23.243 ( 2.542 1.421 0.284) 2.926 23.452 ( -0.809 4.227 5.895) 7.298 23.528 ( 0.571 1.273 -8.570) 8.683 23.796 ( 0.747 0.998 0.686) 1.422 23.810 ( 1.128 0.422 -1.771) 2.141 24.094 ( -2.981 0.039 0.116) 2.983 24.154 ( 4.725 -1.653 0.069) 5.006 ======================= Grid point 150 (85/96) ======================= q-point: (-0.33 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( -9.563 9.559 3.224) 13.900 1.131 ( -9.190 4.230 4.735) 11.170 1.308 ( -3.440 -5.458 10.119) 12.000 1.477 ( -4.936 -5.218 8.244) 10.934 1.574 ( -7.063 2.290 8.384) 11.200 1.657 ( -1.567 5.450 0.619) 5.705 1.707 ( -2.146 3.837 0.298) 4.406 1.835 ( 2.608 0.726 9.217) 9.606 1.923 ( 3.313 -0.560 -1.175) 3.559 1.976 ( -5.240 -0.909 -3.346) 6.284 2.085 ( -4.071 -7.583 -5.670) 10.307 2.134 ( -0.037 -7.670 -1.110) 7.750 2.150 ( 1.380 -1.061 -1.837) 2.531 2.350 ( -0.897 -4.693 2.332) 5.317 2.446 ( -1.569 2.377 0.372) 2.872 2.592 ( 1.623 4.102 0.711) 4.469 2.652 ( 1.925 -3.707 1.154) 4.333 2.722 ( 0.478 -1.897 -1.260) 2.327 2.843 ( 3.087 -1.548 4.453) 5.635 2.869 ( 1.280 4.934 1.418) 5.291 2.910 ( -1.332 1.267 -0.462) 1.896 3.018 ( 6.069 -1.326 -1.024) 6.296 3.101 ( -1.534 -3.423 2.248) 4.373 3.174 ( 1.933 2.788 0.377) 3.413 3.221 ( 6.401 -2.374 1.820) 7.066 3.253 ( 5.714 -5.742 2.503) 8.478 3.484 ( 1.438 8.282 -0.907) 8.454 3.644 ( 3.113 4.478 2.733) 6.100 3.739 ( 4.823 3.921 -0.268) 6.221 3.864 ( 6.894 1.985 -0.181) 7.176 3.988 ( -0.455 5.172 -4.799) 7.070 4.096 ( -1.101 3.705 3.989) 5.554 4.154 ( -3.687 -2.718 0.966) 4.681 4.276 ( -1.445 -1.086 -3.680) 4.100 4.436 ( -3.426 -0.148 1.977) 3.958 4.538 ( -4.265 0.252 0.640) 4.321 4.577 ( -1.681 -3.481 0.638) 3.918 4.587 ( 0.832 -4.667 -3.904) 6.141 4.701 ( 0.426 1.968 1.969) 2.816 4.752 ( -3.006 1.000 2.211) 3.863 4.797 ( 0.321 -0.868 -2.107) 2.301 4.925 ( -0.449 -1.420 -4.479) 4.720 5.048 ( 3.786 -0.794 0.411) 3.891 5.089 ( 0.196 -2.935 -0.820) 3.054 5.157 ( 1.647 -2.377 -0.969) 3.050 5.311 ( -0.937 -4.199 -2.455) 4.953 5.337 ( -0.476 3.005 3.959) 4.993 5.450 ( -1.362 -2.056 0.077) 2.468 5.541 ( 1.028 3.842 -1.216) 4.159 5.636 ( 2.396 -0.553 -4.332) 4.981 6.079 ( 1.430 0.537 -3.078) 3.436 6.089 ( 1.261 -0.092 -4.848) 5.011 6.150 ( 1.525 6.332 -1.664) 6.723 6.221 ( 3.470 3.692 2.248) 5.543 6.431 ( 1.660 -4.326 1.077) 4.757 6.463 ( 3.000 -3.682 2.551) 5.391 6.742 ( -3.410 0.916 2.707) 4.449 6.785 ( -2.223 -0.166 1.467) 2.668 6.850 ( -2.456 2.581 -0.883) 3.670 6.937 ( 0.425 -0.889 0.555) 1.131 8.529 ( 0.591 2.464 0.441) 2.572 8.553 ( 1.924 2.118 -1.469) 3.216 8.716 ( -1.110 -0.101 -3.913) 4.069 8.765 ( -0.266 -0.588 -1.801) 1.913 9.068 ( -2.323 1.895 1.177) 3.221 9.240 ( -0.993 -3.118 -0.153) 3.276 9.307 ( 1.533 1.304 1.990) 2.831 9.473 ( 0.862 -3.306 5.765) 6.701 9.642 ( -4.879 1.961 0.065) 5.259 9.735 ( -3.965 -2.228 1.359) 4.746 9.876 ( 3.416 2.405 -1.106) 4.321 9.932 ( 3.317 -0.076 -4.575) 5.651 10.421 ( -4.462 0.283 0.283) 4.480 10.470 ( -2.439 -0.011 0.907) 2.602 10.590 ( -11.649 2.989 -3.171) 12.437 10.965 ( -1.875 -9.967 0.326) 10.147 11.098 ( 0.736 1.381 1.208) 1.976 11.144 ( 2.596 1.133 -0.626) 2.901 11.232 ( -1.375 -3.577 -2.153) 4.395 11.300 ( -0.475 -3.021 -0.120) 3.061 11.939 ( -1.239 0.456 1.711) 2.161 12.002 ( 1.277 -2.534 0.418) 2.868 12.253 ( -0.118 4.793 -2.160) 5.258 12.332 ( 2.470 2.713 -3.659) 5.182 20.273 ( -1.936 0.011 -1.022) 2.189 20.283 ( -2.396 -0.227 -0.591) 2.478 20.456 ( 3.267 2.096 6.652) 7.702 20.572 ( 6.661 -1.978 3.060) 7.592 21.667 ( -3.364 0.285 4.145) 5.346 21.736 ( 1.309 -2.854 -0.065) 3.140 21.943 ( 2.887 1.599 -6.907) 7.655 21.995 ( 3.136 0.201 1.295) 3.399 22.233 ( -2.079 -2.344 -1.419) 3.439 22.253 ( -1.255 -1.995 1.136) 2.617 22.401 ( -4.781 0.749 -6.189) 7.857 22.495 ( -2.891 -2.884 -0.962) 4.195 22.613 ( 1.285 2.941 1.296) 3.461 22.703 ( 0.387 3.223 2.042) 3.835 22.783 ( 3.086 -4.282 2.179) 5.710 22.839 ( 0.511 -2.627 6.159) 6.716 23.170 ( -1.405 3.409 0.734) 3.759 23.289 ( 1.254 -1.124 1.343) 2.154 23.412 ( -1.935 6.226 -7.735) 10.116 23.485 ( -2.544 2.719 4.244) 5.646 23.807 ( 1.164 0.514 -1.740) 2.155 23.839 ( 2.700 0.677 1.821) 3.327 24.080 ( 0.259 2.173 1.204) 2.497 24.236 ( 5.501 -2.618 0.064) 6.093 ======================= Grid point 151 (86/96) ======================= q-point: (-0.22 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.770 ( 0.581 11.947 11.162) 16.361 1.028 ( -11.411 8.980 9.691) 17.457 1.274 ( -11.804 -0.033 2.795) 12.130 1.412 ( -4.503 -1.588 -0.365) 4.789 1.536 ( -8.157 -6.788 6.094) 12.237 1.628 ( -0.223 -0.077 2.756) 2.766 1.780 ( -4.080 -3.507 -4.576) 7.062 1.909 ( -0.008 -3.845 -2.783) 4.746 1.932 ( 0.271 -0.712 -0.923) 1.196 1.976 ( 4.447 0.001 12.013) 12.810 2.094 ( 4.445 -3.524 9.878) 11.391 2.135 ( 3.307 -5.680 -3.350) 7.377 2.228 ( 3.653 1.364 8.050) 8.945 2.302 ( -5.489 0.970 1.234) 5.710 2.445 ( 0.360 4.967 0.566) 5.012 2.542 ( -5.509 0.858 0.698) 5.619 2.719 ( 0.793 1.204 1.423) 2.025 2.734 ( 0.027 -3.108 1.589) 3.491 2.879 ( -0.114 4.516 2.561) 5.193 2.899 ( 3.153 1.880 0.955) 3.793 2.960 ( 3.135 0.458 1.380) 3.455 3.050 ( -2.184 -1.805 0.212) 2.841 3.182 ( 9.092 -2.061 1.812) 9.497 3.230 ( 1.339 1.787 5.489) 5.926 3.328 ( 6.293 -5.565 -0.432) 8.412 3.422 ( 10.620 -5.594 2.207) 12.204 3.493 ( 0.416 6.152 -0.136) 6.167 3.702 ( 0.676 5.339 2.038) 5.754 3.808 ( 1.957 -2.137 -0.622) 2.964 3.897 ( 3.377 2.957 -4.862) 6.617 3.969 ( 3.733 8.223 -2.798) 9.454 4.080 ( -4.977 -1.726 -2.759) 5.947 4.151 ( 0.968 -3.972 5.703) 7.017 4.219 ( -0.380 3.032 -1.711) 3.502 4.415 ( -4.852 1.961 2.173) 5.666 4.477 ( -3.399 -1.628 1.851) 4.199 4.529 ( -1.024 -4.319 -3.815) 5.853 4.549 ( -2.157 -0.256 -0.593) 2.252 4.688 ( -6.488 1.426 1.018) 6.720 4.753 ( 1.147 -0.678 2.937) 3.225 4.807 ( 2.988 -0.320 -1.428) 3.327 4.845 ( -1.076 -0.630 -7.231) 7.338 5.066 ( 0.463 -1.131 -0.970) 1.560 5.100 ( -2.701 -3.000 -0.144) 4.039 5.160 ( 2.868 0.393 0.427) 2.926 5.264 ( 0.235 -1.945 -0.968) 2.186 5.399 ( 1.076 0.736 1.602) 2.065 5.425 ( -1.501 0.134 -0.762) 1.688 5.539 ( 1.768 3.344 -1.738) 4.163 5.656 ( 4.868 -1.427 -2.299) 5.569 6.041 ( 2.456 0.040 -6.022) 6.503 6.043 ( 2.364 0.096 -6.050) 6.496 6.183 ( 3.003 4.102 -0.083) 5.084 6.357 ( 5.052 0.054 6.102) 7.922 6.454 ( 0.923 -4.355 -0.873) 4.536 6.542 ( 3.886 -2.779 1.249) 4.938 6.707 ( -4.393 1.364 0.828) 4.674 6.773 ( -1.871 0.683 2.951) 3.560 6.817 ( -1.374 3.959 1.224) 4.365 6.945 ( -0.789 -1.506 1.385) 2.192 8.531 ( 0.897 2.303 -2.201) 3.309 8.580 ( 1.347 3.806 1.325) 4.249 8.651 ( -1.047 -0.152 -4.125) 4.259 8.728 ( 0.805 0.138 -3.689) 3.779 9.083 ( 0.252 0.219 3.704) 3.719 9.203 ( -1.029 -3.735 -0.362) 3.891 9.388 ( 1.611 2.853 4.299) 5.405 9.507 ( -4.697 0.623 3.859) 6.110 9.589 ( -3.057 -0.180 2.511) 3.960 9.692 ( -1.153 -4.753 -1.427) 5.094 9.893 ( 1.229 1.256 -2.952) 3.436 9.904 ( 0.292 1.348 -5.380) 5.554 10.304 ( -7.836 2.363 -2.799) 8.650 10.415 ( -5.933 3.344 3.249) 7.546 10.463 ( -3.735 -2.545 -0.283) 4.529 10.788 ( -13.830 -11.839 -6.011) 19.172 11.139 ( 2.298 0.327 1.031) 2.540 11.169 ( 1.598 0.003 0.167) 1.607 11.251 ( 2.262 0.111 1.584) 2.763 11.289 ( -0.248 -1.230 -0.428) 1.326 11.955 ( -0.038 0.910 2.904) 3.043 12.029 ( 1.056 -2.598 1.059) 2.998 12.220 ( -0.011 4.182 -3.345) 5.355 12.287 ( -0.440 2.807 -6.373) 6.978 20.228 ( -1.801 0.328 -1.756) 2.537 20.236 ( -2.266 0.003 -1.253) 2.589 20.646 ( 7.336 -0.221 10.006) 12.409 20.721 ( 6.356 -2.098 4.868) 8.276 21.657 ( -4.095 0.173 4.242) 5.899 21.747 ( 0.938 -3.922 -1.285) 4.232 21.908 ( 3.642 1.593 -7.739) 8.700 22.025 ( -0.041 -5.500 -3.514) 6.526 22.187 ( -1.543 0.046 1.109) 1.901 22.243 ( -1.545 -1.612 0.551) 2.300 22.285 ( -3.086 2.043 -2.654) 4.554 22.443 ( -2.330 -4.651 -1.373) 5.380 22.655 ( 2.033 4.389 2.471) 5.431 22.718 ( 1.152 4.616 2.483) 5.367 22.923 ( 6.106 -2.955 4.588) 8.189 22.925 ( 1.499 -2.490 6.774) 7.371 23.153 ( -1.184 2.838 -1.992) 3.664 23.254 ( -2.284 2.232 -2.178) 3.865 23.373 ( -1.027 1.318 2.907) 3.353 23.477 ( -2.325 1.123 1.114) 2.812 23.820 ( 3.079 3.166 -0.585) 4.455 23.911 ( 2.819 2.232 2.774) 4.541 24.120 ( 2.355 2.471 1.599) 3.769 24.311 ( 4.509 -2.831 -0.981) 5.414 ======================= Grid point 152 (87/96) ======================= q-point: (-0.11 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( -0.557 2.092 6.249) 6.614 1.031 ( -8.262 7.509 12.430) 16.708 1.207 ( 0.479 2.918 2.859) 4.113 1.287 ( -3.258 2.374 -7.192) 8.244 1.467 ( -5.749 -5.062 1.365) 7.781 1.595 ( -2.493 -4.291 -0.408) 4.979 1.805 ( 0.852 -9.973 4.538) 10.989 1.839 ( -1.730 -7.496 -0.850) 7.740 1.857 ( 1.010 6.901 -8.808) 11.235 2.135 ( 1.355 -2.966 -5.135) 6.083 2.154 ( 1.838 -3.210 0.494) 3.732 2.216 ( -3.553 2.014 7.797) 8.802 2.292 ( 2.541 -1.816 8.657) 9.203 2.441 ( -0.080 7.087 7.462) 10.291 2.470 ( 2.050 6.255 2.678) 7.106 2.490 ( -1.021 0.041 9.198) 9.254 2.693 ( -4.154 -0.473 -0.137) 4.183 2.786 ( 3.318 2.671 3.793) 5.704 2.892 ( -0.410 0.364 0.355) 0.654 2.952 ( -0.869 2.098 0.283) 2.289 3.027 ( 6.679 -0.819 5.295) 8.562 3.091 ( 1.198 2.857 3.182) 4.442 3.234 ( -0.481 -1.918 1.836) 2.699 3.361 ( 5.179 -3.193 -2.171) 6.460 3.428 ( 4.778 -4.284 2.733) 6.975 3.495 ( 1.827 2.030 0.517) 2.779 3.561 ( 5.395 -1.492 -1.818) 5.885 3.713 ( -0.298 4.668 1.005) 4.785 3.761 ( -3.319 -9.705 -2.188) 10.487 3.910 ( 0.432 9.423 -3.251) 9.978 3.999 ( 1.739 2.641 0.802) 3.262 4.051 ( 6.483 -1.978 1.359) 6.913 4.182 ( -2.048 3.412 1.995) 4.451 4.240 ( 0.918 -2.212 1.820) 3.008 4.359 ( -4.339 2.042 1.884) 5.152 4.444 ( -3.950 -3.071 1.017) 5.105 4.486 ( -2.346 -2.720 -1.311) 3.823 4.500 ( -0.852 -3.550 -1.839) 4.088 4.613 ( -3.616 3.304 -0.413) 4.916 4.709 ( -3.085 0.139 -9.776) 10.252 4.793 ( 0.270 1.738 2.815) 3.319 4.854 ( 3.154 0.246 -0.204) 3.170 5.015 ( -1.729 0.769 -1.617) 2.489 5.120 ( 2.447 -3.187 1.922) 4.454 5.209 ( 0.265 1.374 1.291) 1.904 5.275 ( 0.285 -1.676 0.387) 1.743 5.377 ( 0.258 1.094 -2.630) 2.860 5.410 ( -0.813 0.363 -0.561) 1.053 5.585 ( 3.586 2.579 1.936) 4.822 5.703 ( 4.234 -1.080 -2.535) 5.051 6.033 ( 3.672 -0.259 -4.158) 5.553 6.036 ( 2.869 -0.355 -2.918) 4.108 6.225 ( 1.500 1.205 0.920) 2.132 6.419 ( -0.040 -5.482 -2.736) 6.127 6.460 ( 2.204 1.063 -1.342) 2.791 6.558 ( -3.831 0.025 -0.971) 3.952 6.676 ( 0.638 -0.152 1.421) 1.564 6.792 ( 0.695 1.084 0.241) 1.310 6.845 ( 0.673 1.870 4.405) 4.833 6.949 ( -0.306 -1.975 1.135) 2.298 8.507 ( -0.558 2.864 -1.885) 3.473 8.573 ( 0.323 3.727 -5.046) 6.281 8.639 ( 0.034 0.790 3.370) 3.461 8.725 ( 3.212 0.372 -2.818) 4.289 9.152 ( 3.101 -0.721 3.559) 4.775 9.217 ( 2.092 -2.537 1.734) 3.717 9.401 ( -3.589 3.021 -0.792) 4.758 9.460 ( -5.818 0.948 3.262) 6.737 9.576 ( -3.157 0.062 3.669) 4.841 9.674 ( 0.437 -4.920 -1.186) 5.080 9.815 ( -2.805 1.331 -5.217) 6.071 9.852 ( -0.769 -0.434 -3.972) 4.069 10.223 ( 0.168 1.953 -0.018) 1.961 10.371 ( -6.194 1.599 3.401) 7.245 10.402 ( -2.707 -3.623 -0.943) 4.620 10.529 ( -10.943 -3.469 -1.894) 11.635 11.181 ( 1.923 0.071 0.423) 1.970 11.196 ( 1.239 0.107 0.347) 1.291 11.282 ( 0.278 -0.391 0.125) 0.496 11.297 ( 1.177 -0.775 0.272) 1.435 12.003 ( 1.162 0.692 3.704) 3.943 12.056 ( 0.657 -1.846 1.421) 2.420 12.178 ( -0.386 2.670 -3.376) 4.322 12.200 ( -1.875 2.651 -4.783) 5.781 20.185 ( -0.955 0.553 -1.743) 2.063 20.190 ( -1.581 0.360 -1.392) 2.137 20.838 ( 4.834 -1.811 5.275) 7.381 20.864 ( 4.896 -1.842 4.628) 6.984 21.644 ( -3.925 0.047 4.470) 5.949 21.736 ( -0.417 -4.461 -1.314) 4.669 21.877 ( 3.169 0.676 -6.624) 7.374 21.928 ( -4.789 -2.499 -3.580) 6.480 22.219 ( 2.014 -0.005 1.595) 2.569 22.225 ( -1.121 -0.850 0.512) 1.497 22.242 ( -0.167 0.523 -0.892) 1.048 22.390 ( -2.079 -4.636 -2.073) 5.488 22.727 ( 1.785 5.069 4.431) 6.965 22.800 ( 4.715 4.063 2.283) 6.630 22.984 ( 0.716 0.862 1.378) 1.776 23.036 ( -0.444 1.198 -1.483) 1.957 23.116 ( 1.412 -2.253 4.579) 5.295 23.261 ( 2.621 -0.124 1.570) 3.058 23.372 ( -3.835 -2.380 2.685) 5.252 23.443 ( -1.077 -2.093 -2.432) 3.384 23.892 ( 4.856 4.664 1.499) 6.897 23.978 ( 2.345 4.853 1.755) 5.668 24.178 ( 2.480 0.878 1.921) 3.258 24.341 ( 2.058 -2.607 -2.723) 4.295 ======================= Grid point 153 (88/96) ======================= q-point: ( 0.00 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( -1.806 -4.240 -3.467) 5.767 0.909 ( -1.806 4.240 -3.467) 5.767 1.296 ( -1.926 -9.973 3.785) 10.839 1.296 ( -1.926 9.973 3.785) 10.839 1.431 ( -0.196 -8.140 -1.162) 8.225 1.431 ( -0.196 8.140 -1.162) 8.225 1.820 ( 3.072 -9.080 5.864) 11.237 1.820 ( 3.072 9.080 5.864) 11.237 1.987 ( -0.006 -6.136 -6.155) 8.691 1.987 ( -0.006 6.136 -6.155) 8.691 2.113 ( -0.395 -1.819 -1.393) 2.324 2.113 ( -0.395 1.819 -1.393) 2.324 2.450 ( -0.201 -1.800 4.757) 5.090 2.450 ( -0.201 1.800 4.757) 5.090 2.665 ( -0.710 -3.201 9.160) 9.729 2.665 ( -0.710 3.201 9.160) 9.729 2.805 ( 1.291 -9.551 -1.800) 9.805 2.805 ( 1.291 9.551 -1.800) 9.805 2.974 ( 1.493 -3.466 6.613) 7.614 2.974 ( 1.493 3.466 6.613) 7.614 3.109 ( -0.288 -0.393 -2.886) 2.927 3.109 ( -0.288 0.393 -2.886) 2.927 3.259 ( 0.104 -2.570 -3.630) 4.449 3.259 ( 0.104 2.570 -3.630) 4.449 3.422 ( 0.438 -3.998 -1.158) 4.185 3.422 ( 0.438 3.998 -1.158) 4.185 3.618 ( -0.263 -1.777 1.956) 2.656 3.618 ( -0.263 1.777 1.956) 2.656 3.912 ( -0.104 -4.591 2.773) 5.364 3.912 ( -0.104 4.591 2.773) 5.364 4.114 ( -0.904 -3.133 -1.203) 3.476 4.114 ( -0.904 3.133 -1.203) 3.476 4.252 ( 6.023 -5.148 1.698) 8.103 4.252 ( 6.023 5.148 1.698) 8.103 4.292 ( -4.924 -5.741 -0.961) 7.624 4.292 ( -4.924 5.741 -0.961) 7.624 4.457 ( -0.093 -1.856 2.716) 3.291 4.457 ( -0.093 1.856 2.716) 3.291 4.561 ( -0.836 -1.670 -7.493) 7.722 4.561 ( -0.836 1.670 -7.493) 7.722 4.878 ( -0.262 -1.121 1.387) 1.803 4.878 ( -0.262 1.121 1.387) 1.803 5.092 ( 1.424 -1.823 1.050) 2.540 5.092 ( 1.424 1.823 1.050) 2.540 5.222 ( -2.228 -0.597 0.520) 2.364 5.222 ( -2.228 0.597 0.520) 2.364 5.391 ( 1.297 -0.477 -1.809) 2.276 5.391 ( 1.297 0.477 -1.809) 2.276 5.694 ( 1.046 -1.739 -0.164) 2.036 5.694 ( 1.046 1.739 -0.164) 2.036 6.032 ( -0.146 -0.362 -1.405) 1.458 6.032 ( -0.146 0.362 -1.405) 1.458 6.281 ( -0.166 -2.431 -0.713) 2.539 6.281 ( -0.166 2.431 -0.713) 2.539 6.533 ( 1.788 -1.125 -1.449) 2.562 6.533 ( 1.788 1.125 -1.449) 2.562 6.719 ( -1.511 -3.512 0.209) 3.829 6.719 ( -1.511 3.512 0.209) 3.829 6.911 ( 0.489 -1.741 0.839) 1.994 6.911 ( 0.489 1.741 0.839) 1.994 8.548 ( -0.577 -1.553 -0.514) 1.735 8.548 ( -0.577 1.553 -0.514) 1.735 8.723 ( 1.226 -2.254 -1.520) 2.982 8.723 ( 1.226 2.254 -1.520) 2.982 9.258 ( 3.752 -1.504 3.282) 5.207 9.258 ( 3.752 1.504 3.282) 5.207 9.357 ( -4.035 -1.065 -2.162) 4.700 9.357 ( -4.035 1.065 -2.162) 4.700 9.620 ( 0.202 -1.645 2.541) 3.034 9.620 ( 0.202 1.645 2.541) 3.034 9.765 ( -0.557 -1.345 -3.038) 3.368 9.765 ( -0.557 1.345 -3.038) 3.368 10.266 ( -1.097 -0.947 1.147) 1.848 10.266 ( -1.097 0.947 1.147) 1.848 10.420 ( 0.513 -0.957 0.225) 1.109 10.420 ( 0.513 0.957 0.225) 1.109 11.210 ( 0.463 -0.206 0.115) 0.520 11.210 ( 0.463 0.206 0.115) 0.520 11.287 ( -0.089 -0.358 0.059) 0.373 11.287 ( -0.089 0.358 0.059) 0.373 12.073 ( 0.541 -0.332 3.407) 3.466 12.073 ( 0.541 0.332 3.407) 3.466 12.151 ( -0.850 -0.059 -4.177) 4.263 12.151 ( -0.850 0.059 -4.177) 4.263 20.171 ( -0.035 -0.213 -0.807) 0.836 20.171 ( -0.035 0.213 -0.807) 0.836 20.912 ( 0.814 -0.629 2.278) 2.499 20.912 ( 0.814 0.629 2.278) 2.499 21.651 ( -2.840 -1.324 3.701) 4.849 21.651 ( -2.840 1.324 3.701) 4.849 21.853 ( 1.230 -1.262 -4.012) 4.382 21.853 ( 1.230 1.262 -4.012) 4.382 22.237 ( 0.902 -1.046 0.192) 1.394 22.237 ( 0.902 1.046 0.192) 1.394 22.263 ( -0.188 -1.843 -0.969) 2.090 22.263 ( -0.188 1.843 -0.969) 2.090 22.916 ( 2.453 -2.627 4.045) 5.412 22.916 ( 2.453 2.627 4.045) 5.412 23.001 ( -2.277 -0.334 -2.185) 3.173 23.001 ( -2.277 0.334 -2.185) 3.173 23.187 ( -0.091 -3.563 1.379) 3.822 23.187 ( -0.091 3.563 1.379) 3.822 23.361 ( 1.002 -0.854 -0.865) 1.576 23.361 ( 1.002 0.854 -0.865) 1.576 24.053 ( 0.749 -2.668 2.122) 3.490 24.053 ( 0.749 2.668 2.122) 3.490 24.248 ( 0.404 -2.877 -2.808) 4.041 24.248 ( 0.404 2.877 -2.808) 4.041 ======================= Grid point 155 (89/96) ======================= q-point: ( 0.11 -0.50 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( 1.285 -2.116 3.539) 4.319 0.904 ( 1.285 2.116 3.539) 4.319 1.318 ( 0.932 -5.263 2.413) 5.864 1.318 ( 0.932 5.263 2.413) 5.864 1.484 ( 6.472 -4.752 0.758) 8.065 1.484 ( 6.472 4.752 0.758) 8.065 1.810 ( -4.313 -7.130 -5.320) 9.886 1.810 ( -4.313 7.130 -5.320) 9.886 1.927 ( -1.957 -5.760 0.697) 6.124 1.927 ( -1.957 5.760 0.697) 6.124 2.165 ( 5.929 -5.350 0.452) 7.999 2.165 ( 5.929 5.350 0.452) 7.999 2.501 ( 3.180 -2.348 -0.590) 3.997 2.501 ( 3.180 2.348 -0.590) 3.997 2.713 ( -1.143 -4.763 0.256) 4.905 2.713 ( -1.143 4.763 0.256) 4.905 2.787 ( 0.298 -4.589 -2.453) 5.211 2.787 ( 0.298 4.589 -2.453) 5.211 2.978 ( -3.828 -4.971 -2.495) 6.752 2.978 ( -3.828 4.971 -2.495) 6.752 3.080 ( -1.529 -4.086 0.195) 4.367 3.080 ( -1.529 4.086 0.195) 4.367 3.226 ( -1.660 -4.667 0.363) 4.967 3.226 ( -1.660 4.667 0.363) 4.967 3.432 ( 1.295 -3.979 -0.439) 4.207 3.432 ( 1.295 3.979 -0.439) 4.207 3.580 ( -5.302 -2.322 0.116) 5.789 3.580 ( -5.302 2.322 0.116) 5.789 3.918 ( -1.092 -6.419 -0.295) 6.518 3.918 ( -1.092 6.419 -0.295) 6.518 4.108 ( -0.124 -8.188 1.740) 8.372 4.108 ( -0.124 8.188 1.740) 8.372 4.186 ( -4.744 -5.573 -2.780) 7.829 4.186 ( -4.744 5.573 -2.780) 7.829 4.364 ( 4.635 -5.442 0.971) 7.214 4.364 ( 4.635 5.442 0.971) 7.214 4.494 ( 1.822 -1.638 -1.883) 3.090 4.494 ( 1.822 1.638 -1.883) 3.090 4.557 ( 5.426 -2.321 3.669) 6.949 4.557 ( 5.426 2.321 3.669) 6.949 4.868 ( -2.005 -1.400 0.095) 2.447 4.868 ( -2.005 1.400 0.095) 2.447 5.072 ( -2.798 -2.865 -0.677) 4.062 5.072 ( -2.798 2.865 -0.677) 4.062 5.229 ( -0.037 -2.612 1.560) 3.042 5.229 ( -0.037 2.612 1.560) 3.042 5.390 ( 1.373 -1.511 -1.203) 2.370 5.390 ( 1.373 1.511 -1.203) 2.370 5.673 ( -2.524 -0.273 -1.589) 2.995 5.673 ( -2.524 0.273 -1.589) 2.995 5.991 ( -4.059 -0.971 0.821) 4.253 5.991 ( -4.059 0.971 0.821) 4.253 6.276 ( 0.165 -1.263 -0.176) 1.286 6.276 ( 0.165 1.263 -0.176) 1.286 6.522 ( -1.075 -5.146 -1.630) 5.504 6.522 ( -1.075 5.146 -1.630) 5.504 6.733 ( 1.933 -4.855 1.598) 5.465 6.733 ( 1.933 4.855 1.598) 5.465 6.925 ( 1.194 -0.510 -0.757) 1.503 6.925 ( 1.194 0.510 -0.757) 1.503 8.546 ( 0.100 -0.591 1.042) 1.202 8.546 ( 0.100 0.591 1.042) 1.202 8.700 ( -1.760 -1.740 -1.541) 2.915 8.700 ( -1.760 1.740 -1.541) 2.915 9.225 ( -3.006 -1.234 -2.854) 4.325 9.225 ( -3.006 1.234 -2.854) 4.325 9.422 ( 5.926 -3.335 3.214) 7.521 9.422 ( 5.926 3.335 3.214) 7.521 9.647 ( 1.860 -1.233 -1.638) 2.768 9.647 ( 1.860 1.233 -1.638) 2.768 9.755 ( 0.691 -0.923 1.893) 2.217 9.755 ( 0.691 0.923 1.893) 2.217 10.277 ( 1.157 -3.731 1.203) 4.087 10.277 ( 1.157 3.731 1.203) 4.087 10.468 ( 5.545 -1.662 -0.466) 5.808 10.468 ( 5.545 1.662 -0.466) 5.808 11.203 ( -0.921 -0.447 -0.665) 1.221 11.203 ( -0.921 0.447 -0.665) 1.221 11.283 ( -0.582 -0.270 0.127) 0.654 11.283 ( -0.582 0.270 0.127) 0.654 12.077 ( -1.782 -0.222 -1.564) 2.381 12.077 ( -1.782 0.222 -1.564) 2.381 12.140 ( 1.343 -0.305 2.112) 2.521 12.140 ( 1.343 0.305 2.112) 2.521 20.177 ( 1.204 -0.413 0.190) 1.286 20.177 ( 1.204 0.413 0.190) 1.286 20.900 ( -2.804 -0.350 -1.608) 3.252 20.900 ( -2.804 0.350 -1.608) 3.252 21.658 ( -1.958 -1.221 3.985) 4.605 21.658 ( -1.958 1.221 3.985) 4.605 21.842 ( 1.406 -3.128 -1.518) 3.751 21.842 ( 1.406 3.128 -1.518) 3.751 22.230 ( -0.273 -0.373 -0.902) 1.013 22.230 ( -0.273 0.373 -0.902) 1.013 22.283 ( 2.667 -2.956 -0.038) 3.982 22.283 ( 2.667 2.956 -0.038) 3.982 22.901 ( -3.572 -1.644 -3.350) 5.166 22.901 ( -3.572 1.644 -3.350) 5.166 22.998 ( 0.056 -0.632 2.467) 2.547 22.998 ( 0.056 0.632 2.467) 2.547 23.173 ( -1.435 -4.546 0.175) 4.770 23.173 ( -1.435 4.546 0.175) 4.770 23.402 ( 4.992 -1.678 -1.323) 5.430 23.402 ( 4.992 1.678 -1.323) 5.430 24.040 ( -2.888 -3.191 -1.580) 4.585 24.040 ( -2.888 3.191 -1.580) 4.585 24.224 ( -1.088 -1.729 -0.034) 2.043 24.224 ( -1.088 1.729 -0.034) 2.043 ======================= Grid point 157 (90/96) ======================= q-point: ( 0.22 -0.50 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( 2.593 -7.266 7.379) 10.676 1.007 ( 2.593 7.266 7.379) 10.676 1.378 ( 5.583 -4.720 -1.644) 7.493 1.378 ( 5.583 4.720 -1.644) 7.493 1.614 ( 6.429 -7.931 1.643) 10.341 1.614 ( 6.429 7.931 1.643) 10.341 1.711 ( 0.769 -5.912 -1.527) 6.155 1.711 ( 0.769 5.912 -1.527) 6.155 1.900 ( -2.688 -4.022 0.638) 4.879 1.900 ( -2.688 4.022 0.638) 4.879 2.224 ( 2.840 -3.662 -4.297) 6.320 2.224 ( 2.840 3.662 -4.297) 6.320 2.488 ( 0.131 -4.227 -10.144) 10.991 2.488 ( 0.131 4.227 -10.144) 10.991 2.626 ( -1.137 -2.408 -6.403) 6.934 2.626 ( -1.137 2.408 -6.403) 6.934 2.772 ( -0.974 -3.985 -2.009) 4.567 2.772 ( -0.974 3.985 -2.009) 4.567 2.919 ( 1.404 -3.471 -1.628) 4.083 2.919 ( 1.404 3.471 -1.628) 4.083 3.053 ( -5.097 -9.923 4.355) 11.975 3.053 ( -5.097 9.923 4.355) 11.975 3.160 ( -5.841 -5.395 -1.837) 8.160 3.160 ( -5.841 5.395 -1.837) 8.160 3.390 ( -4.644 -3.186 -3.727) 6.753 3.390 ( -4.644 3.186 -3.727) 6.753 3.553 ( 0.455 -7.254 3.460) 8.049 3.553 ( 0.455 7.254 3.460) 8.049 3.892 ( -1.769 -5.012 -0.310) 5.324 3.892 ( -1.769 5.012 -0.310) 5.324 4.079 ( -2.464 -6.272 -2.415) 7.158 4.079 ( -2.464 6.272 -2.415) 7.158 4.155 ( -0.663 -8.558 4.085) 9.506 4.155 ( -0.663 8.558 4.085) 9.506 4.415 ( 2.192 -3.259 -0.778) 4.004 4.415 ( 2.192 3.259 -0.778) 4.004 4.519 ( 4.794 -1.305 -2.284) 5.468 4.519 ( 4.794 1.305 -2.284) 5.468 4.701 ( 4.709 -0.585 4.967) 6.869 4.701 ( 4.709 0.585 4.967) 6.869 4.823 ( -2.331 -1.023 -1.524) 2.968 4.823 ( -2.331 1.023 -1.524) 2.968 5.045 ( -0.852 -1.773 1.405) 2.418 5.045 ( -0.852 1.773 1.405) 2.418 5.210 ( -2.603 -1.638 -0.898) 3.204 5.210 ( -2.603 1.638 -0.898) 3.204 5.418 ( 2.304 -1.620 0.168) 2.821 5.418 ( 2.304 1.620 0.168) 2.821 5.597 ( -4.089 -1.687 -1.130) 4.566 5.597 ( -4.089 1.687 -1.130) 4.566 5.953 ( -3.319 -0.882 3.327) 4.781 5.953 ( -3.319 0.882 3.327) 4.781 6.281 ( 0.136 -4.698 0.569) 4.734 6.281 ( 0.136 4.698 0.569) 4.734 6.472 ( -3.552 -4.011 -0.798) 5.417 6.472 ( -3.552 4.011 -0.798) 5.417 6.784 ( 2.886 -3.651 -0.210) 4.658 6.784 ( 2.886 3.651 -0.210) 4.658 6.929 ( 1.277 -1.919 -1.789) 2.918 6.929 ( 1.277 1.919 -1.789) 2.918 8.573 ( 0.818 -1.440 1.809) 2.453 8.573 ( 0.818 1.440 1.809) 2.453 8.650 ( -2.437 -0.600 -0.094) 2.512 8.650 ( -2.437 0.600 -0.094) 2.512 9.169 ( -0.139 -1.627 -2.782) 3.226 9.169 ( -0.139 1.627 -2.782) 3.226 9.511 ( 0.839 -4.342 1.327) 4.617 9.511 ( 0.839 4.342 1.327) 4.617 9.640 ( 3.515 -2.388 -4.383) 6.104 9.640 ( 3.515 2.388 -4.383) 6.104 9.822 ( 1.093 -1.168 5.078) 5.324 9.822 ( 1.093 1.168 5.078) 5.324 10.342 ( 5.163 -4.551 1.726) 7.095 10.342 ( 5.163 4.551 1.726) 7.095 10.565 ( 7.526 -5.164 -0.385) 9.135 10.565 ( 7.526 5.164 -0.385) 9.135 11.174 ( -1.436 -0.879 -0.875) 1.897 11.174 ( -1.436 0.879 -0.875) 1.897 11.269 ( -1.339 -0.095 -0.069) 1.344 11.269 ( -1.339 0.095 -0.069) 1.344 12.031 ( -1.162 -0.712 -2.250) 2.631 12.031 ( -1.162 0.712 -2.250) 2.631 12.193 ( 0.663 -0.818 4.070) 4.204 12.193 ( 0.663 0.818 4.070) 4.204 20.210 ( 2.129 -0.486 0.972) 2.390 20.210 ( 2.129 0.486 0.972) 2.390 20.796 ( -5.372 -0.702 -5.165) 7.485 20.796 ( -5.372 0.702 -5.165) 7.485 21.678 ( -1.317 -1.669 3.729) 4.292 21.678 ( -1.317 1.669 3.729) 4.292 21.857 ( 0.655 -4.360 1.098) 4.543 21.857 ( 0.655 4.360 1.098) 4.543 22.223 ( 0.912 -1.077 -1.022) 1.743 22.223 ( 0.912 1.077 -1.022) 1.743 22.332 ( 3.506 -3.633 0.146) 5.051 22.332 ( 3.506 3.633 0.146) 5.051 22.805 ( -3.318 -2.765 -3.564) 5.600 22.805 ( -3.318 2.765 -3.564) 5.600 22.970 ( -3.557 -0.887 -1.913) 4.135 22.970 ( -3.557 0.887 -1.913) 4.135 23.191 ( 1.824 -5.986 1.804) 6.513 23.191 ( 1.824 5.986 1.804) 6.513 23.459 ( 4.634 -2.649 -2.079) 5.728 23.459 ( 4.634 2.649 -2.079) 5.728 23.952 ( -4.143 -4.200 -3.077) 6.654 23.952 ( -4.143 4.200 -3.077) 6.654 24.203 ( -2.554 -3.646 0.666) 4.501 24.203 ( -2.554 3.646 0.666) 4.501 ======================= Grid point 159 (91/96) ======================= q-point: ( 0.33 -0.50 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 1.635 -10.900 0.662) 11.041 1.096 ( 1.635 10.900 0.662) 11.041 1.441 ( 7.897 -6.617 -4.043) 11.068 1.441 ( 7.897 6.617 -4.043) 11.068 1.674 ( -3.086 -9.363 6.847) 12.003 1.674 ( -3.086 9.363 6.847) 12.003 1.836 ( 8.114 -1.484 2.892) 8.741 1.836 ( 8.114 1.484 2.892) 8.741 1.883 ( 3.224 -1.412 -2.013) 4.055 1.883 ( 3.224 1.412 -2.013) 4.055 2.111 ( -3.350 -0.152 -14.214) 14.604 2.111 ( -3.350 0.152 -14.214) 14.604 2.328 ( -0.857 -4.369 -9.747) 10.716 2.328 ( -0.857 4.369 -9.747) 10.716 2.576 ( -1.415 -5.999 -1.659) 6.383 2.576 ( -1.415 5.999 -1.659) 6.383 2.704 ( -2.188 -3.379 -4.659) 6.157 2.704 ( -2.188 3.379 -4.659) 6.157 2.945 ( 0.881 -1.887 -2.033) 2.911 2.945 ( 0.881 1.887 -2.033) 2.911 3.025 ( -7.307 -4.898 0.967) 8.850 3.025 ( -7.307 4.898 0.967) 8.850 3.049 ( -2.512 -8.735 3.875) 9.881 3.049 ( -2.512 8.735 3.875) 9.881 3.275 ( -1.771 -1.304 -6.238) 6.615 3.275 ( -1.771 1.304 -6.238) 6.615 3.601 ( -0.434 -6.324 3.336) 7.163 3.601 ( -0.434 6.324 3.336) 7.163 3.836 ( -4.585 -3.874 -1.361) 6.155 3.836 ( -4.585 3.874 -1.361) 6.155 4.055 ( 0.447 -5.022 1.222) 5.188 4.055 ( 0.447 5.022 1.222) 5.188 4.201 ( -0.348 -7.798 5.227) 9.394 4.201 ( -0.348 7.798 5.227) 9.394 4.418 ( 0.164 -4.897 -1.658) 5.173 4.418 ( 0.164 4.897 -1.658) 5.173 4.578 ( 5.658 -1.107 -2.170) 6.160 4.578 ( 5.658 1.107 -2.170) 6.160 4.776 ( -1.628 -1.574 -0.933) 2.449 4.776 ( -1.628 1.574 -0.933) 2.449 4.805 ( 3.808 -0.796 2.488) 4.618 4.805 ( 3.808 0.796 2.488) 4.618 5.040 ( -2.555 -1.482 0.324) 2.972 5.040 ( -2.555 1.482 0.324) 2.972 5.167 ( -1.793 -4.298 0.722) 4.713 5.167 ( -1.793 4.298 0.722) 4.713 5.442 ( 2.337 -2.256 -2.003) 3.816 5.442 ( 2.337 2.256 -2.003) 3.816 5.558 ( -1.566 -0.917 2.113) 2.785 5.558 ( -1.566 0.917 2.113) 2.785 5.976 ( -0.460 -0.352 5.708) 5.737 5.976 ( -0.460 0.352 5.708) 5.737 6.281 ( -1.525 -5.752 0.406) 5.964 6.281 ( -1.525 5.752 0.406) 5.964 6.402 ( -2.670 -3.152 -2.113) 4.641 6.402 ( -2.670 3.152 -2.113) 4.641 6.808 ( 1.372 -1.916 -1.236) 2.661 6.808 ( 1.372 1.916 -1.236) 2.661 6.928 ( 1.500 -2.108 -2.037) 3.293 6.928 ( 1.500 2.108 -2.037) 3.293 8.574 ( -0.884 -3.215 -0.856) 3.442 8.574 ( -0.884 3.215 -0.856) 3.442 8.666 ( 0.631 -2.743 4.210) 5.065 8.666 ( 0.631 2.743 4.210) 5.065 9.156 ( 1.872 -2.624 -1.836) 3.709 9.156 ( 1.872 2.624 -1.836) 3.709 9.468 ( -3.177 -4.724 -3.812) 6.851 9.468 ( -3.177 4.724 -3.812) 6.851 9.685 ( 4.271 -2.265 0.360) 4.848 9.685 ( 4.271 2.265 0.360) 4.848 9.868 ( -1.040 -1.058 2.671) 3.056 9.868 ( -1.040 1.058 2.671) 3.056 10.440 ( 4.290 -2.278 0.684) 4.905 10.440 ( 4.290 2.278 0.684) 4.905 10.695 ( 8.453 -8.588 1.679) 12.166 10.695 ( 8.453 8.588 1.679) 12.166 11.147 ( -0.891 -0.730 -0.619) 1.308 11.147 ( -0.891 0.730 -0.619) 1.308 11.241 ( -1.983 -1.585 -0.406) 2.571 11.241 ( -1.983 1.585 -0.406) 2.571 11.993 ( -0.571 -0.702 -1.951) 2.151 11.993 ( -0.571 0.702 -1.951) 2.151 12.249 ( 0.065 -1.267 4.677) 4.846 12.249 ( 0.065 1.267 4.677) 4.846 20.258 ( 2.368 -0.459 1.149) 2.671 20.258 ( 2.368 0.459 1.149) 2.671 20.637 ( -5.588 -1.052 -6.957) 8.985 20.637 ( -5.588 1.052 -6.957) 8.985 21.694 ( -1.684 -1.623 2.793) 3.642 21.694 ( -1.684 1.623 2.793) 3.642 21.887 ( 0.364 -4.768 2.993) 5.641 21.887 ( 0.364 4.768 2.993) 5.641 22.233 ( 1.758 -1.550 -1.081) 2.581 22.233 ( 1.758 1.550 -1.081) 2.581 22.393 ( 3.774 -3.682 0.950) 5.358 22.393 ( 3.774 3.682 0.950) 5.358 22.727 ( -2.507 -3.848 -2.451) 5.206 22.727 ( -2.507 3.848 -2.451) 5.206 22.880 ( -2.530 -3.197 -4.623) 6.164 22.880 ( -2.530 3.197 -4.623) 6.164 23.236 ( 1.103 -3.860 1.169) 4.181 23.236 ( 1.103 3.860 1.169) 4.181 23.496 ( 3.002 -4.087 -1.427) 5.268 23.496 ( 3.002 4.087 -1.427) 5.268 23.866 ( -2.415 -3.345 -2.582) 4.867 23.866 ( -2.415 3.345 -2.582) 4.867 24.161 ( -3.041 -3.446 -0.194) 4.600 24.161 ( -3.041 3.446 -0.194) 4.600 ======================= Grid point 161 (92/96) ======================= q-point: ( 0.44 -0.50 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( 2.342 -8.602 -7.186) 11.450 1.080 ( 2.342 8.602 -7.186) 11.450 1.517 ( 2.753 -5.093 -0.735) 5.836 1.517 ( 2.753 5.093 -0.735) 5.836 1.644 ( -9.140 -5.047 3.921) 11.152 1.644 ( -9.140 5.047 3.921) 11.152 1.793 ( -0.686 -3.023 -10.765) 11.203 1.793 ( -0.686 3.023 -10.765) 11.203 1.979 ( 7.490 -0.339 0.869) 7.547 1.979 ( 7.490 0.339 0.869) 7.547 2.044 ( 1.222 -1.824 1.560) 2.693 2.044 ( 1.222 1.824 1.560) 2.693 2.270 ( 3.930 -5.103 -4.394) 7.797 2.270 ( 3.930 5.103 -4.394) 7.797 2.523 ( -2.382 -2.795 -4.020) 5.445 2.523 ( -2.382 2.795 -4.020) 5.445 2.628 ( -2.593 -2.249 1.074) 3.597 2.628 ( -2.593 2.249 1.074) 3.597 2.841 ( -5.345 -4.042 -3.899) 7.753 2.841 ( -5.345 4.042 -3.899) 7.753 2.970 ( -3.505 -3.939 1.442) 5.466 2.970 ( -3.505 3.939 1.442) 5.466 3.098 ( 2.622 -4.954 0.926) 5.681 3.098 ( 2.622 4.954 0.926) 5.681 3.207 ( 0.552 -1.374 -3.891) 4.163 3.207 ( 0.552 1.374 -3.891) 4.163 3.614 ( -1.075 -1.826 1.644) 2.682 3.614 ( -1.075 1.826 1.644) 2.682 3.748 ( -3.059 -6.169 -1.841) 7.127 3.748 ( -3.059 6.169 -1.841) 7.127 4.095 ( -0.035 -5.184 3.555) 6.286 4.095 ( -0.035 5.184 3.555) 6.286 4.264 ( 0.917 -7.684 4.751) 9.080 4.264 ( 0.917 7.684 4.751) 9.080 4.393 ( -0.206 -9.476 -2.140) 9.717 4.393 ( -0.206 9.476 -2.140) 9.717 4.617 ( 2.034 -0.174 -2.618) 3.320 4.617 ( 2.034 0.174 -2.618) 3.320 4.754 ( -0.279 -0.949 0.687) 1.204 4.754 ( -0.279 0.949 0.687) 1.204 4.856 ( 0.311 -1.668 -1.038) 1.989 4.856 ( 0.311 1.668 -1.038) 1.989 5.009 ( -0.650 -1.588 0.668) 1.841 5.009 ( -0.650 1.588 0.668) 1.841 5.182 ( 0.941 -5.069 3.809) 6.410 5.182 ( 0.941 5.069 3.809) 6.410 5.429 ( 0.092 -2.598 -4.571) 5.259 5.429 ( 0.092 2.598 -4.571) 5.259 5.589 ( 1.428 -0.492 2.534) 2.950 5.589 ( 1.428 0.492 2.534) 2.950 6.046 ( 0.362 -0.461 4.961) 4.995 6.046 ( 0.362 0.461 4.961) 4.995 6.248 ( -1.955 -3.182 0.757) 3.811 6.248 ( -1.955 3.182 0.757) 3.811 6.358 ( 0.261 -1.851 -3.040) 3.569 6.358 ( 0.261 1.851 -3.040) 3.569 6.804 ( -0.511 -1.164 -0.394) 1.331 6.804 ( -0.511 1.164 -0.394) 1.331 6.925 ( 1.188 -0.787 -2.264) 2.675 6.925 ( 1.188 0.787 -2.264) 2.675 8.559 ( 0.074 -2.223 -0.404) 2.260 8.559 ( 0.074 2.223 -0.404) 2.260 8.721 ( 0.494 -2.094 3.066) 3.746 8.721 ( 0.494 2.094 3.066) 3.746 9.185 ( 3.076 -3.900 0.061) 4.967 9.185 ( 3.076 3.900 0.061) 4.967 9.361 ( -4.054 -4.917 -4.315) 7.696 9.361 ( -4.054 4.917 -4.315) 7.696 9.751 ( 1.345 -1.176 2.527) 3.094 9.751 ( 1.345 1.176 2.527) 3.094 9.863 ( -0.294 -1.679 -0.472) 1.769 9.863 ( -0.294 1.679 -0.472) 1.769 10.477 ( 0.852 -0.906 -0.368) 1.297 10.477 ( 0.852 0.906 -0.368) 1.297 10.829 ( 4.753 -6.118 2.067) 8.019 10.829 ( 4.753 6.118 2.067) 8.019 11.136 ( -0.017 -0.982 0.090) 0.986 11.136 ( -0.017 0.982 0.090) 0.986 11.204 ( -1.563 -2.843 -0.789) 3.339 11.204 ( -1.563 2.843 -0.789) 3.339 11.969 ( -0.338 -0.177 -1.196) 1.255 11.969 ( -0.338 0.177 -1.196) 1.255 12.298 ( 0.214 -0.804 3.460) 3.559 12.298 ( 0.214 0.804 3.460) 3.559 20.302 ( 1.498 -0.471 0.938) 1.829 20.302 ( 1.498 0.471 0.938) 1.829 20.492 ( -3.135 -0.844 -5.573) 6.450 20.492 ( -3.135 0.844 -5.573) 6.450 21.691 ( -2.171 -1.240 2.295) 3.394 21.691 ( -2.171 1.240 2.295) 3.394 21.933 ( 1.206 -3.929 2.569) 4.846 21.933 ( 1.206 3.929 2.569) 4.846 22.243 ( 1.056 -1.347 -1.397) 2.210 22.243 ( 1.056 1.347 -1.397) 2.210 22.473 ( 3.863 -3.000 2.713) 5.593 22.473 ( 3.863 3.000 2.713) 5.593 22.658 ( -3.379 -3.273 -2.440) 5.299 22.658 ( -3.379 3.273 -2.440) 5.299 22.804 ( -0.461 -3.688 -4.282) 5.671 22.804 ( -0.461 3.688 -4.282) 5.671 23.248 ( -0.243 -1.599 0.126) 1.623 23.248 ( -0.243 1.599 0.126) 1.623 23.520 ( 1.242 -4.400 -0.161) 4.575 23.520 ( 1.242 4.400 -0.161) 4.575 23.824 ( 0.147 -1.451 -2.038) 2.507 23.824 ( 0.147 1.451 -2.038) 2.507 24.117 ( -1.620 -1.504 -0.500) 2.267 24.117 ( -1.620 1.504 -0.500) 2.267 ======================= Grid point 163 (93/96) ======================= q-point: (-0.44 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( -2.379 -1.906 -4.061) 5.078 1.013 ( -2.379 1.906 -4.061) 5.078 1.470 ( -7.802 -6.416 4.149) 10.920 1.470 ( -7.802 6.416 4.149) 10.920 1.574 ( -0.293 -9.500 0.890) 9.546 1.574 ( -0.293 9.500 0.890) 9.546 1.786 ( 3.657 -1.685 -0.076) 4.028 1.786 ( 3.657 1.685 -0.076) 4.028 1.998 ( -5.747 -0.872 -0.790) 5.866 1.998 ( -5.747 0.872 -0.790) 5.866 2.079 ( 3.972 -0.651 -1.851) 4.430 2.079 ( 3.972 0.651 -1.851) 4.430 2.250 ( -5.502 -1.688 -1.746) 6.014 2.250 ( -5.502 1.688 -1.746) 6.014 2.476 ( 3.327 -1.528 -0.556) 3.703 2.476 ( 3.327 1.528 -0.556) 3.703 2.667 ( 2.190 -0.921 0.258) 2.390 2.667 ( 2.190 0.921 0.258) 2.390 2.767 ( 1.009 -1.736 0.828) 2.172 2.767 ( 1.009 1.736 0.828) 2.172 2.954 ( -0.522 -0.782 2.518) 2.688 2.954 ( -0.522 0.782 2.518) 2.688 3.108 ( -1.347 -1.795 -0.676) 2.344 3.108 ( -1.347 1.795 -0.676) 2.344 3.199 ( 2.264 -1.345 -2.247) 3.462 3.199 ( 2.264 1.345 -2.247) 3.462 3.622 ( 0.581 -2.825 0.717) 2.972 3.622 ( 0.581 2.825 0.717) 2.972 3.735 ( 3.292 -2.123 -0.275) 3.927 3.735 ( 3.292 2.123 -0.275) 3.927 4.105 ( -3.625 -2.997 2.621) 5.385 4.105 ( -3.625 2.997 2.621) 5.385 4.323 ( 1.953 -3.869 0.958) 4.439 4.323 ( 1.953 3.869 0.958) 4.439 4.373 ( 0.615 -4.668 -1.647) 4.988 4.373 ( 0.615 4.668 -1.647) 4.988 4.589 ( -2.471 -1.281 -0.077) 2.785 4.589 ( -2.471 1.281 -0.077) 2.785 4.768 ( -0.057 -2.399 -0.552) 2.462 4.768 ( -0.057 2.399 -0.552) 2.462 4.837 ( 0.117 -3.116 0.247) 3.128 4.837 ( 0.117 3.116 0.247) 3.128 5.019 ( 1.328 -1.094 -0.188) 1.731 5.019 ( 1.328 1.094 -0.188) 1.731 5.246 ( 0.957 -1.597 -0.077) 1.863 5.246 ( 0.957 1.597 -0.077) 1.863 5.369 ( -0.721 -0.285 -1.117) 1.359 5.369 ( -0.721 0.285 -1.117) 1.359 5.621 ( 0.640 -1.687 -0.531) 1.881 5.621 ( 0.640 1.687 -0.531) 1.881 6.085 ( 0.972 -1.086 1.149) 1.856 6.085 ( 0.972 1.086 1.149) 1.856 6.268 ( 1.097 -4.065 2.146) 4.726 6.268 ( 1.097 4.065 2.146) 4.726 6.327 ( 0.801 -3.402 -3.199) 4.738 6.327 ( 0.801 3.402 -3.199) 4.738 6.787 ( -2.190 -0.799 1.261) 2.650 6.787 ( -2.190 0.799 1.261) 2.650 6.915 ( 0.506 -0.682 -1.614) 1.823 6.915 ( 0.506 0.682 -1.614) 1.823 8.563 ( 1.007 -1.168 -0.678) 1.685 8.563 ( 1.007 1.168 -0.678) 1.685 8.745 ( -0.110 -0.322 0.750) 0.824 8.745 ( -0.110 0.322 0.750) 0.824 9.209 ( -1.834 -2.318 -1.972) 3.553 9.209 ( -1.834 2.318 -1.972) 3.553 9.297 ( 1.321 -1.800 1.455) 2.665 9.297 ( 1.321 1.800 1.455) 2.665 9.753 ( -4.625 -1.247 2.393) 5.355 9.753 ( -4.625 1.247 2.393) 5.355 9.880 ( 4.217 -2.131 -2.078) 5.162 9.880 ( 4.217 2.131 -2.078) 5.162 10.471 ( -1.315 -0.257 0.240) 1.361 10.471 ( -1.315 0.257 0.240) 1.361 10.853 ( -3.520 -2.352 -0.096) 4.234 10.853 ( -3.520 2.352 -0.096) 4.234 11.136 ( -0.572 -2.718 0.104) 2.779 11.136 ( -0.572 2.718 0.104) 2.779 11.196 ( 1.652 -2.115 -0.135) 2.687 11.196 ( 1.652 2.115 -0.135) 2.687 11.956 ( -0.351 -0.696 -0.017) 0.779 11.956 ( -0.351 0.696 -0.017) 0.779 12.332 ( 1.241 -0.839 0.402) 1.551 12.332 ( 1.241 0.839 0.402) 1.551 20.311 ( -1.412 -0.260 0.144) 1.443 20.311 ( -1.412 0.260 0.144) 1.443 20.440 ( 1.805 -1.407 -0.944) 2.475 20.440 ( 1.805 1.407 -0.944) 2.475 21.686 ( -2.097 -1.121 2.594) 3.519 21.686 ( -2.097 1.121 2.594) 3.519 21.974 ( 2.372 -1.839 -0.640) 3.069 21.974 ( 2.372 1.839 -0.640) 3.069 22.232 ( -0.590 -0.848 -0.842) 1.333 22.232 ( -0.590 0.848 -0.842) 1.333 22.537 ( -1.131 -0.418 -3.019) 3.251 22.537 ( -1.131 0.418 -3.019) 3.251 22.598 ( 0.829 -1.432 3.435) 3.813 22.598 ( 0.829 1.432 3.435) 3.813 22.767 ( -0.278 -1.273 -1.433) 1.937 22.767 ( -0.278 1.273 -1.433) 1.937 23.242 ( -0.746 -1.124 0.551) 1.457 23.242 ( -0.746 1.124 0.551) 1.457 23.529 ( 0.253 -1.842 -0.558) 1.941 23.529 ( 0.253 1.842 -0.558) 1.941 23.814 ( 0.899 -0.311 -1.304) 1.614 23.814 ( 0.899 0.311 -1.304) 1.614 24.112 ( 1.519 -1.697 -0.044) 2.278 24.112 ( 1.519 1.697 -0.044) 2.278 ======================= Grid point 165 (94/96) ======================= q-point: (-0.33 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( -1.993 -12.160 7.070) 14.207 0.983 ( -1.993 12.160 7.070) 14.207 1.365 ( -12.187 -5.235 4.641) 14.052 1.365 ( -12.187 5.235 4.641) 14.052 1.684 ( 1.277 -4.882 10.639) 11.775 1.684 ( 1.277 4.882 10.639) 11.775 1.821 ( 2.199 -4.803 -4.054) 6.658 1.821 ( 2.199 4.803 -4.054) 6.658 1.897 ( -4.734 -1.698 -0.274) 5.037 1.897 ( -4.734 1.698 -0.274) 5.037 2.001 ( -4.083 -3.715 -3.259) 6.411 2.001 ( -4.083 3.715 -3.259) 6.411 2.224 ( 1.778 -5.209 1.182) 5.630 2.224 ( 1.778 5.209 1.182) 5.630 2.536 ( 1.566 -5.213 2.358) 5.932 2.536 ( 1.566 5.213 2.358) 5.932 2.656 ( -0.321 -3.171 -0.351) 3.206 2.656 ( -0.321 3.171 -0.351) 3.206 2.876 ( 3.437 -2.576 4.652) 6.331 2.876 ( 3.437 2.576 4.652) 6.331 2.999 ( 0.276 -6.493 2.637) 7.013 2.999 ( 0.276 6.493 2.637) 7.013 3.107 ( 5.390 -5.971 0.294) 8.050 3.107 ( 5.390 5.971 0.294) 8.050 3.208 ( 1.833 -0.564 -1.512) 2.443 3.208 ( 1.833 0.564 -1.512) 2.443 3.643 ( 1.590 -4.634 -0.678) 4.946 3.643 ( 1.590 4.634 -0.678) 4.946 3.822 ( 6.750 -2.694 0.334) 7.275 3.822 ( 6.750 2.694 0.334) 7.275 4.052 ( -5.628 -3.298 1.591) 6.714 4.052 ( -5.628 3.298 1.591) 6.714 4.311 ( 0.316 -6.386 -4.547) 7.846 4.311 ( 0.316 6.386 -4.547) 7.846 4.398 ( 1.920 -3.733 0.758) 4.265 4.398 ( 1.920 3.733 0.758) 4.265 4.549 ( -3.230 -0.736 0.088) 3.314 4.549 ( -3.230 0.736 0.088) 3.314 4.746 ( -2.202 -2.716 1.507) 3.808 4.746 ( -2.202 2.716 1.507) 3.808 4.843 ( -0.249 -5.101 -1.108) 5.226 4.843 ( -0.249 5.101 -1.108) 5.226 5.047 ( 2.660 -1.411 -0.760) 3.106 5.047 ( 2.660 1.411 -0.760) 3.106 5.203 ( -0.536 -5.186 -2.805) 5.921 5.203 ( -0.536 5.186 -2.805) 5.921 5.393 ( 0.152 -2.639 2.391) 3.565 5.393 ( 0.152 2.639 2.391) 3.565 5.610 ( 1.282 -2.121 -2.712) 3.675 5.610 ( 1.282 2.121 -2.712) 3.675 6.089 ( 0.861 -0.297 -4.226) 4.323 6.089 ( 0.861 0.297 -4.226) 4.323 6.292 ( 2.289 -2.552 -1.117) 3.606 6.292 ( 2.289 2.552 -1.117) 3.606 6.351 ( 2.659 -2.905 2.461) 4.644 6.351 ( 2.659 2.905 2.461) 4.644 6.770 ( -2.992 -1.190 2.696) 4.199 6.770 ( -2.992 1.190 2.696) 4.199 6.904 ( -0.562 -2.056 -0.251) 2.146 6.904 ( -0.562 2.056 -0.251) 2.146 8.573 ( 1.619 -0.917 -0.942) 2.086 8.573 ( 1.619 0.917 -0.942) 2.086 8.734 ( -0.427 -1.756 -1.922) 2.638 8.734 ( -0.427 1.756 -1.922) 2.638 9.142 ( -2.910 -4.613 -0.737) 5.504 9.142 ( -2.910 4.613 -0.737) 5.504 9.379 ( 2.921 -4.465 4.478) 6.966 9.379 ( 2.921 4.465 4.478) 6.966 9.690 ( -5.198 -2.141 0.552) 5.648 9.690 ( -5.198 2.141 0.552) 5.648 9.917 ( 3.399 -1.340 -2.472) 4.411 9.917 ( 3.399 1.340 -2.472) 4.411 10.444 ( -2.891 -1.613 0.307) 3.324 10.444 ( -2.891 1.613 0.307) 3.324 10.731 ( -10.294 -9.472 -1.532) 14.073 10.731 ( -10.294 9.472 -1.532) 14.073 11.135 ( 0.475 -1.693 0.321) 1.787 11.135 ( 0.475 1.693 0.321) 1.787 11.231 ( 1.987 -2.623 0.487) 3.326 11.231 ( 1.987 2.623 0.487) 3.326 11.959 ( -0.095 -1.374 1.275) 1.877 11.959 ( -0.095 1.374 1.275) 1.877 12.338 ( 1.473 -2.236 -3.484) 4.394 12.338 ( 1.473 2.236 -3.484) 4.394 20.277 ( -2.273 -0.283 -0.562) 2.358 20.277 ( -2.273 0.283 -0.562) 2.358 20.515 ( 4.799 -2.967 4.330) 7.112 20.515 ( 4.799 2.967 4.330) 7.112 21.685 ( -2.341 -1.517 2.948) 4.059 21.685 ( -2.341 1.517 2.948) 4.059 21.983 ( 2.948 -1.487 -5.029) 6.017 21.983 ( 2.948 1.487 -5.029) 6.017 22.213 ( -1.549 -0.877 0.629) 1.888 22.213 ( -1.549 0.877 0.629) 1.888 22.438 ( -4.095 -2.341 -3.619) 5.945 22.438 ( -4.095 2.341 -3.619) 5.945 22.688 ( 2.852 -3.941 2.490) 5.465 22.688 ( 2.852 3.941 2.490) 5.465 22.777 ( 1.071 -3.170 3.994) 5.210 22.777 ( 1.071 3.170 3.994) 5.210 23.238 ( -0.991 -2.889 0.809) 3.160 23.238 ( -0.991 2.889 0.809) 3.160 23.506 ( -1.714 -1.788 -1.772) 3.046 23.506 ( -1.714 1.788 -1.772) 3.046 23.832 ( 2.599 -1.243 0.393) 2.908 23.832 ( 2.599 1.243 0.393) 2.908 24.157 ( 3.867 -4.234 0.083) 5.735 24.157 ( 3.867 4.234 0.083) 5.735 ======================= Grid point 167 (95/96) ======================= q-point: (-0.22 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( 0.153 -13.896 4.193) 14.516 1.069 ( 0.153 13.896 4.193) 14.516 1.252 ( -8.707 -10.226 7.326) 15.299 1.252 ( -8.707 10.226 7.326) 15.299 1.664 ( -9.654 -9.726 3.560) 14.159 1.664 ( -9.654 9.726 3.560) 14.159 1.707 ( -4.738 -7.076 -6.750) 10.866 1.707 ( -4.738 7.076 -6.750) 10.867 1.958 ( 6.447 -1.987 -0.910) 6.807 1.958 ( 6.447 1.987 -0.910) 6.807 2.054 ( 3.644 -1.834 9.893) 10.701 2.054 ( 3.644 1.834 9.893) 10.701 2.275 ( 0.394 -2.176 5.569) 5.992 2.275 ( 0.394 2.176 5.569) 5.992 2.557 ( -2.249 -3.773 2.225) 4.924 2.557 ( -2.249 3.773 2.225) 4.924 2.693 ( 1.959 -2.831 4.584) 5.733 2.693 ( 1.959 2.831 4.584) 5.733 2.893 ( -2.869 -1.004 0.719) 3.124 2.893 ( -2.869 1.004 0.719) 3.124 3.070 ( 3.882 -1.075 4.294) 5.888 3.070 ( 3.882 1.075 4.294) 5.888 3.188 ( 3.716 -3.384 -4.186) 6.541 3.188 ( 3.716 3.384 -4.186) 6.541 3.294 ( 8.652 -4.700 4.289) 10.740 3.294 ( 8.652 4.700 4.289) 10.740 3.633 ( -0.281 -6.506 -3.496) 7.391 3.633 ( -0.281 6.506 -3.496) 7.391 3.895 ( 1.272 -4.310 -0.619) 4.536 3.895 ( 1.272 4.310 -0.619) 4.536 4.021 ( 0.129 -4.514 3.187) 5.527 4.021 ( 0.129 4.514 3.187) 5.527 4.259 ( -0.002 -5.152 -4.865) 7.085 4.259 ( -0.002 5.152 -4.865) 7.085 4.409 ( -0.790 -0.586 -0.644) 1.176 4.409 ( -0.790 0.586 -0.644) 1.176 4.491 ( -3.375 -2.220 -0.408) 4.060 4.491 ( -3.375 2.220 -0.408) 4.060 4.753 ( -0.891 -1.052 2.958) 3.263 4.753 ( -0.891 1.052 2.958) 3.263 4.806 ( -0.494 -1.804 -2.847) 3.406 4.806 ( -0.494 1.804 -2.847) 3.406 5.058 ( -0.461 -0.661 -0.609) 1.010 5.058 ( -0.461 0.661 -0.609) 1.010 5.204 ( 2.527 -3.109 -0.305) 4.017 5.204 ( 2.527 3.109 -0.305) 4.017 5.413 ( 0.124 -0.893 0.599) 1.082 5.413 ( 0.124 0.893 0.599) 1.082 5.611 ( 2.740 -2.797 -2.186) 4.484 5.611 ( 2.740 2.797 -2.186) 4.484 6.042 ( 1.688 -0.171 -5.465) 5.722 6.042 ( 1.688 0.171 -5.465) 5.722 6.306 ( 1.157 -5.865 -1.533) 6.171 6.306 ( 1.157 5.865 -1.533) 6.171 6.444 ( 4.642 -4.562 2.332) 6.914 6.444 ( 4.642 4.562 2.332) 6.914 6.756 ( -2.785 -2.192 2.646) 4.423 6.756 ( -2.785 2.192 2.646) 4.423 6.895 ( -1.203 -3.003 1.144) 3.432 6.895 ( -1.203 3.003 1.144) 3.432 8.588 ( 0.965 -2.285 -0.669) 2.569 8.588 ( 0.965 2.285 -0.669) 2.569 8.699 ( 0.844 -2.993 -3.586) 4.746 8.699 ( 0.844 2.993 -3.586) 4.746 9.120 ( -0.699 -3.199 1.862) 3.767 9.120 ( -0.699 3.199 1.862) 3.767 9.464 ( 0.557 -3.766 4.942) 6.238 9.464 ( 0.557 3.766 4.942) 6.238 9.616 ( -3.836 -2.489 -0.831) 4.648 9.616 ( -3.836 2.489 -0.831) 4.648 9.912 ( 0.317 -0.559 -4.007) 4.058 9.912 ( 0.317 0.559 -4.007) 4.058 10.378 ( -4.848 -3.969 -1.726) 6.499 10.378 ( -4.848 3.969 -1.726) 6.499 10.552 ( -10.626 -8.600 0.945) 13.703 10.552 ( -10.626 8.600 0.945) 13.703 11.158 ( 1.465 -0.947 0.734) 1.893 11.158 ( 1.465 0.947 0.734) 1.893 11.262 ( 1.226 -0.942 0.649) 1.677 11.262 ( 1.226 0.942 0.649) 1.677 11.983 ( 0.443 -1.628 2.320) 2.869 11.983 ( 0.443 1.628 2.320) 2.869 12.296 ( 0.212 -1.988 -5.898) 6.228 12.296 ( 0.212 1.988 -5.898) 6.228 20.234 ( -1.949 -0.226 -1.188) 2.294 20.234 ( -1.949 0.226 -1.188) 2.294 20.668 ( 5.883 -2.199 7.081) 9.465 20.668 ( 5.883 2.199 7.081) 9.465 21.677 ( -3.146 -1.942 2.978) 4.748 21.677 ( -3.146 1.942 2.978) 4.748 21.950 ( 1.917 -2.215 -7.000) 7.588 21.950 ( 1.917 2.215 -7.000) 7.588 22.204 ( -0.663 -1.585 0.936) 1.957 22.204 ( -0.663 1.585 0.936) 1.957 22.350 ( -3.167 -3.707 -1.843) 5.212 22.350 ( -3.167 3.707 -1.843) 5.212 22.741 ( 1.946 -2.834 2.583) 4.300 22.741 ( 1.946 2.834 2.583) 4.300 22.888 ( 4.270 -1.407 5.912) 7.427 22.888 ( 4.270 1.407 5.912) 7.427 23.221 ( -1.711 -3.332 -0.578) 3.790 23.221 ( -1.711 3.332 -0.578) 3.790 23.446 ( -3.337 -3.522 -1.202) 4.998 23.446 ( -3.337 3.522 -1.202) 4.998 23.900 ( 4.161 -2.919 1.851) 5.409 23.900 ( 4.161 2.919 1.851) 5.409 24.219 ( 4.298 -5.310 -0.826) 6.881 24.219 ( 4.298 5.310 -0.826) 6.881 ======================= Grid point 169 (96/96) ======================= q-point: (-0.11 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( -3.898 -8.934 -4.888) 10.905 1.011 ( -3.898 8.934 -4.888) 10.905 1.274 ( -2.376 -9.243 6.282) 11.425 1.274 ( -2.376 9.243 6.282) 11.425 1.518 ( -7.058 -11.144 -2.964) 13.520 1.518 ( -7.058 11.144 -2.964) 13.520 1.691 ( 2.009 -7.970 5.831) 10.077 1.691 ( 2.009 7.970 5.831) 10.077 2.009 ( 5.515 -6.928 -5.989) 10.690 2.009 ( 5.515 6.928 -5.989) 10.690 2.150 ( -2.324 -2.918 3.166) 4.893 2.150 ( -2.324 2.918 3.166) 4.893 2.383 ( -1.261 -5.369 11.286) 12.561 2.383 ( -1.261 5.369 11.286) 12.561 2.565 ( -1.079 -3.256 6.846) 7.657 2.565 ( -1.079 3.256 6.846) 7.657 2.779 ( 2.065 -7.066 2.896) 7.910 2.779 ( 2.065 7.066 2.896) 7.910 2.884 ( -0.034 -4.503 3.704) 5.831 2.884 ( -0.034 4.503 3.704) 5.831 3.138 ( 1.061 -6.386 -1.933) 6.756 3.138 ( 1.061 6.386 -1.933) 6.756 3.224 ( 4.988 -6.459 0.829) 8.203 3.224 ( 4.988 6.459 0.829) 8.203 3.440 ( 3.503 -5.297 -0.194) 6.353 3.440 ( 3.503 5.297 -0.194) 6.353 3.581 ( 0.460 -5.419 -1.413) 5.619 3.581 ( 0.460 5.419 -1.413) 5.619 3.889 ( -1.142 -7.591 1.868) 7.900 3.889 ( -1.142 7.591 1.868) 7.900 4.096 ( 3.511 -2.932 2.307) 5.123 4.096 ( 3.511 2.932 2.307) 5.123 4.206 ( 0.540 -5.052 -3.973) 6.450 4.206 ( 0.540 5.052 -3.973) 6.450 4.367 ( -3.709 -2.522 -0.328) 4.497 4.367 ( -3.709 2.522 -0.328) 4.497 4.454 ( -1.706 -0.832 0.782) 2.053 4.454 ( -1.706 0.832 0.782) 2.053 4.686 ( -3.575 -2.442 -6.368) 7.700 4.686 ( -3.575 2.442 -6.368) 7.700 4.839 ( 2.106 -1.769 2.703) 3.856 4.839 ( 2.106 1.769 2.703) 3.856 5.052 ( 0.656 -2.625 0.770) 2.813 5.052 ( 0.656 2.625 0.770) 2.813 5.240 ( 0.917 -1.490 0.140) 1.756 5.240 ( 0.917 1.490 0.140) 1.756 5.400 ( -0.374 -0.956 -1.578) 1.883 5.400 ( -0.374 0.956 -1.578) 1.883 5.653 ( 3.652 -3.223 0.131) 4.873 5.653 ( 3.652 3.223 0.131) 4.873 6.031 ( 2.762 -0.180 -3.082) 4.143 6.031 ( 2.762 0.180 -3.082) 4.143 6.296 ( 0.418 -5.049 -2.059) 5.469 6.296 ( 0.418 5.049 -2.059) 5.469 6.512 ( 2.270 -3.503 0.109) 4.176 6.512 ( 2.270 3.503 0.109) 4.176 6.743 ( -1.609 -4.633 0.703) 4.954 6.743 ( -1.609 4.633 0.703) 4.954 6.897 ( -0.756 -2.608 1.837) 3.279 6.897 ( -0.756 2.608 1.837) 3.279 8.572 ( -0.966 -2.469 -1.392) 2.994 8.572 ( -0.966 2.469 -1.392) 2.994 8.703 ( 3.274 -2.797 -1.998) 4.747 8.703 ( 3.274 2.797 -1.998) 4.747 9.162 ( 2.312 -1.849 3.292) 4.427 9.162 ( 2.312 1.849 3.292) 4.427 9.462 ( -5.660 -1.604 0.456) 5.900 9.462 ( -5.660 1.604 0.456) 5.900 9.589 ( 0.259 -1.986 1.584) 2.554 9.589 ( 0.259 1.986 1.584) 2.554 9.837 ( -2.509 -0.835 -4.811) 5.489 9.837 ( -2.509 0.835 -4.811) 5.489 10.291 ( -3.393 -4.242 -0.412) 5.448 10.291 ( -3.393 4.242 -0.412) 5.448 10.449 ( -5.438 -3.714 1.727) 6.808 10.449 ( -5.438 3.714 1.727) 6.808 11.190 ( 1.476 -0.553 0.633) 1.698 11.190 ( 1.476 0.553 0.633) 1.698 11.282 ( 0.526 -0.442 0.402) 0.796 11.282 ( 0.526 0.442 0.402) 0.796 12.024 ( 0.853 -1.190 3.014) 3.350 12.024 ( 0.853 1.190 3.014) 3.350 12.222 ( -0.911 -0.776 -5.531) 5.659 12.222 ( -0.911 0.776 -5.531) 5.659 20.194 ( -1.178 -0.155 -1.378) 1.820 20.194 ( -1.178 0.155 -1.378) 1.820 20.825 ( 4.266 -0.942 5.730) 7.205 20.825 ( 4.266 0.942 5.730) 7.205 21.660 ( -3.408 -1.879 3.205) 5.041 21.660 ( -3.408 1.879 3.205) 5.041 21.895 ( 0.966 -0.931 -6.052) 6.199 21.895 ( 0.966 0.931 -6.052) 6.199 22.215 ( 0.819 -0.541 0.635) 1.169 22.215 ( 0.819 0.541 0.635) 1.169 22.295 ( -1.933 -3.717 -1.227) 4.365 22.295 ( -1.933 3.717 -1.227) 4.365 22.821 ( 3.079 -2.597 4.262) 5.865 22.821 ( 3.079 2.597 4.262) 5.865 23.004 ( 2.746 -1.379 2.948) 4.258 23.004 ( 2.746 1.379 2.948) 4.258 23.180 ( -1.098 -5.418 -1.136) 5.644 23.180 ( -1.098 5.418 -1.136) 5.644 23.388 ( -2.973 -2.668 -0.214) 4.001 23.388 ( -2.973 2.668 -0.214) 4.001 23.988 ( 3.450 -3.260 2.761) 5.491 23.988 ( 3.450 3.260 2.761) 5.491 24.257 ( 2.786 -4.894 -2.488) 6.156 24.257 ( 2.786 4.894 -2.488) 6.156 =================== 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 3/27216 10.0 47.433 43.301 39.757 0.000 5.315 0.000 3/27216 20.0 11.921 10.871 10.036 0.000 1.520 0.000 3/27216 30.0 6.056 5.527 5.233 0.000 0.764 0.000 3/27216 40.0 3.934 3.596 3.467 0.000 0.496 0.000 3/27216 50.0 2.887 2.644 2.571 0.000 0.364 0.000 3/27216 60.0 2.277 2.088 2.039 0.000 0.287 0.000 3/27216 70.0 1.883 1.727 1.691 0.000 0.237 0.000 3/27216 80.0 1.609 1.475 1.447 0.000 0.202 0.000 3/27216 90.0 1.409 1.289 1.267 0.000 0.176 0.000 3/27216 100.0 1.256 1.146 1.129 0.000 0.157 0.000 3/27216 110.0 1.135 1.033 1.020 0.000 0.141 0.000 3/27216 120.0 1.038 0.942 0.932 0.000 0.128 0.000 3/27216 130.0 0.958 0.866 0.859 0.000 0.118 0.000 3/27216 140.0 0.890 0.803 0.798 0.000 0.109 0.000 3/27216 150.0 0.833 0.748 0.747 0.000 0.101 0.000 3/27216 160.0 0.783 0.702 0.702 0.000 0.095 0.000 3/27216 170.0 0.740 0.661 0.664 0.000 0.089 0.000 3/27216 180.0 0.702 0.625 0.630 0.000 0.084 0.000 3/27216 190.0 0.668 0.593 0.600 0.000 0.079 0.000 3/27216 200.0 0.638 0.565 0.574 0.000 0.075 0.000 3/27216 210.0 0.610 0.539 0.550 0.000 0.072 0.000 3/27216 220.0 0.586 0.516 0.528 0.000 0.068 0.000 3/27216 230.0 0.563 0.495 0.509 0.000 0.065 0.000 3/27216 240.0 0.542 0.476 0.491 0.000 0.063 0.000 3/27216 250.0 0.523 0.458 0.474 0.000 0.060 0.000 3/27216 260.0 0.506 0.442 0.459 0.000 0.058 0.000 3/27216 270.0 0.489 0.427 0.445 0.000 0.055 0.000 3/27216 280.0 0.474 0.413 0.432 0.000 0.053 0.000 3/27216 290.0 0.460 0.400 0.420 0.000 0.051 0.000 3/27216 300.0 0.447 0.387 0.408 0.000 0.050 0.000 3/27216 310.0 0.434 0.376 0.398 0.000 0.048 0.000 3/27216 320.0 0.422 0.365 0.387 0.000 0.047 0.000 3/27216 330.0 0.411 0.355 0.378 0.000 0.045 0.000 3/27216 340.0 0.401 0.346 0.369 0.000 0.044 0.000 3/27216 350.0 0.391 0.337 0.360 0.000 0.042 0.000 3/27216 360.0 0.381 0.328 0.352 0.000 0.041 0.000 3/27216 370.0 0.372 0.320 0.344 0.000 0.040 0.000 3/27216 380.0 0.364 0.312 0.336 0.000 0.039 0.000 3/27216 390.0 0.355 0.305 0.329 0.000 0.038 0.000 3/27216 400.0 0.348 0.298 0.322 0.000 0.037 0.000 3/27216 410.0 0.340 0.291 0.316 0.000 0.036 0.000 3/27216 420.0 0.333 0.285 0.309 0.000 0.035 0.000 3/27216 430.0 0.326 0.279 0.303 0.000 0.034 0.000 3/27216 440.0 0.319 0.273 0.297 0.000 0.034 0.000 3/27216 450.0 0.313 0.268 0.292 0.000 0.033 0.000 3/27216 460.0 0.307 0.262 0.286 0.000 0.032 0.000 3/27216 470.0 0.301 0.257 0.281 0.000 0.031 0.000 3/27216 480.0 0.295 0.252 0.276 0.000 0.031 0.000 3/27216 490.0 0.290 0.247 0.271 0.000 0.030 0.000 3/27216 500.0 0.285 0.243 0.266 0.000 0.029 0.000 3/27216 510.0 0.280 0.238 0.262 0.000 0.029 0.000 3/27216 520.0 0.275 0.234 0.257 0.000 0.028 0.000 3/27216 530.0 0.270 0.230 0.253 0.000 0.028 0.000 3/27216 540.0 0.266 0.226 0.249 0.000 0.027 0.000 3/27216 550.0 0.261 0.222 0.245 0.000 0.027 0.000 3/27216 560.0 0.257 0.218 0.241 0.000 0.026 0.000 3/27216 570.0 0.253 0.215 0.237 0.000 0.026 0.000 3/27216 580.0 0.249 0.211 0.234 0.000 0.025 0.000 3/27216 590.0 0.245 0.208 0.230 0.000 0.025 0.000 3/27216 600.0 0.241 0.205 0.227 0.000 0.024 0.000 3/27216 610.0 0.237 0.202 0.223 0.000 0.024 0.000 3/27216 620.0 0.234 0.198 0.220 0.000 0.024 0.000 3/27216 630.0 0.230 0.195 0.217 0.000 0.023 0.000 3/27216 640.0 0.227 0.193 0.214 0.000 0.023 0.000 3/27216 650.0 0.224 0.190 0.211 0.000 0.022 0.000 3/27216 660.0 0.221 0.187 0.208 0.000 0.022 0.000 3/27216 670.0 0.218 0.184 0.205 0.000 0.022 0.000 3/27216 680.0 0.215 0.182 0.203 0.000 0.021 0.000 3/27216 690.0 0.212 0.179 0.200 0.000 0.021 0.000 3/27216 700.0 0.209 0.177 0.197 0.000 0.021 0.000 3/27216 710.0 0.206 0.174 0.195 0.000 0.021 0.000 3/27216 720.0 0.203 0.172 0.192 0.000 0.020 0.000 3/27216 730.0 0.201 0.170 0.190 0.000 0.020 0.000 3/27216 740.0 0.198 0.168 0.187 0.000 0.020 0.000 3/27216 750.0 0.196 0.166 0.185 0.000 0.019 0.000 3/27216 760.0 0.193 0.164 0.183 0.000 0.019 0.000 3/27216 770.0 0.191 0.161 0.181 0.000 0.019 0.000 3/27216 780.0 0.189 0.159 0.179 0.000 0.019 0.000 3/27216 790.0 0.186 0.158 0.176 0.000 0.018 0.000 3/27216 800.0 0.184 0.156 0.174 0.000 0.018 0.000 3/27216 810.0 0.182 0.154 0.172 0.000 0.018 0.000 3/27216 820.0 0.180 0.152 0.170 0.000 0.018 0.000 3/27216 830.0 0.178 0.150 0.169 0.000 0.018 0.000 3/27216 840.0 0.176 0.149 0.167 0.000 0.017 0.000 3/27216 850.0 0.174 0.147 0.165 0.000 0.017 0.000 3/27216 860.0 0.172 0.145 0.163 0.000 0.017 0.000 3/27216 870.0 0.170 0.144 0.161 0.000 0.017 0.000 3/27216 880.0 0.168 0.142 0.160 0.000 0.017 0.000 3/27216 890.0 0.166 0.140 0.158 0.000 0.016 0.000 3/27216 900.0 0.165 0.139 0.156 0.000 0.016 0.000 3/27216 910.0 0.163 0.137 0.155 0.000 0.016 0.000 3/27216 920.0 0.161 0.136 0.153 0.000 0.016 0.000 3/27216 930.0 0.159 0.135 0.151 0.000 0.016 0.000 3/27216 940.0 0.158 0.133 0.150 0.000 0.015 0.000 3/27216 950.0 0.156 0.132 0.148 0.000 0.015 0.000 3/27216 960.0 0.155 0.131 0.147 0.000 0.015 0.000 3/27216 970.0 0.153 0.129 0.146 0.000 0.015 0.000 3/27216 980.0 0.152 0.128 0.144 0.000 0.015 0.000 3/27216 990.0 0.150 0.127 0.143 0.000 0.015 0.000 3/27216 1000.0 0.149 0.125 0.141 0.000 0.015 0.000 3/27216 Thermal conductivity related properties were written into "kappa-m947.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 02:49:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|