----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:54:49]------------------------- 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 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.188618311108441 0.000000000000000 0.000000000000000 b 0.000000000000000 8.190440389999997 0.000000000000000 c -5.180467927594451 0.000000000000000 12.216765684139453 Atomic positions (fractional): *1 Li 0.55623469501478 0.63560716604416 0.40073352294136 6.941 2 Li 0.44376530498522 0.36439283395584 0.59926647705864 6.941 3 Li 0.55623469501478 0.86439283395584 0.90073352294136 6.941 4 Li 0.44376530498522 0.13560716604416 0.09926647705864 6.941 *5 O 0.71717490432211 0.55654137151365 0.20618146639446 15.999 *6 O 0.93482768572406 0.82668505401568 0.04005280995232 15.999 *7 O 0.74258008675505 0.39537022254321 0.76942377165360 15.999 8 O 0.28282509567789 0.05654137151365 0.29381853360554 15.999 9 O 0.71717490432211 0.94345862848635 0.70618146639446 15.999 10 O 0.25741991324495 0.60462977745679 0.23057622834640 15.999 11 O 0.06517231427594 0.17331494598432 0.95994719004768 15.999 *12 O 0.54463428871022 0.38180027719014 0.39918560189171 15.999 *13 O 0.34334204646335 0.33992984613448 0.15750791144383 15.999 *14 O 0.82231721144950 0.31223593452650 0.59745661899965 15.999 *15 O 0.26776070341285 0.59564317596132 0.04139586895898 15.999 16 O 0.73223929658715 0.09564317596132 0.45860413104102 15.999 17 O 0.17768278855050 0.81223593452650 0.90254338100035 15.999 18 O 0.65665795353665 0.83992984613448 0.34249208855617 15.999 19 O 0.45536571128978 0.88180027719014 0.10081439810829 15.999 20 O 0.65665795353665 0.66007015386552 0.84249208855617 15.999 21 O 0.74258008675505 0.10462977745679 0.26942377165360 15.999 22 O 0.28282509567789 0.44345862848635 0.79381853360554 15.999 23 O 0.93482768572406 0.67331494598432 0.54005280995232 15.999 24 O 0.25741991324495 0.89537022254321 0.73057622834640 15.999 25 O 0.06517231427594 0.32668505401568 0.45994719004768 15.999 26 O 0.54463428871022 0.11819972280986 0.89918560189171 15.999 27 O 0.34334204646335 0.16007015386552 0.65750791144383 15.999 28 O 0.82231721144950 0.18776406547350 0.09745661899965 15.999 29 O 0.26776070341285 0.90435682403868 0.54139586895898 15.999 30 O 0.73223929658715 0.40435682403868 0.95860413104102 15.999 31 O 0.17768278855050 0.68776406547350 0.40254338100035 15.999 32 O 0.45536571128978 0.61819972280986 0.60081439810829 15.999 *33 P 0.80076269610742 0.29039657644619 0.48051549219432 30.974 34 P 0.19923730389258 0.70960342355381 0.51948450780568 30.974 *35 P 0.39901415490992 0.97823978408931 0.66218596047134 30.974 36 P 0.60098584509008 0.47823978408931 0.83781403952866 30.974 37 P 0.19923730389258 0.79039657644619 0.01948450780568 30.974 38 P 0.39901415490992 0.52176021591069 0.16218596047134 30.974 39 P 0.80076269610742 0.20960342355381 0.98051549219432 30.974 40 P 0.60098584509008 0.02176021591069 0.33781403952866 30.974 *41 Bi 0.08113855369015 0.30774773405456 0.27635443722293 208.980 42 Bi 0.91886144630985 0.80774773405456 0.22364556277707 208.980 43 Bi 0.08113855369015 0.19225226594544 0.77635443722293 208.980 44 Bi 0.91886144630985 0.69225226594544 0.72364556277707 208.980 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.188618311108441 0.000000000000000 0.000000000000000 b 0.000000000000000 8.190440389999997 0.000000000000000 c -5.180467927594451 0.000000000000000 12.216765684139453 Atomic positions (fractional): *1 Li 0.55623469501478 0.63560716604416 0.40073352294136 6.941 > 1 2 Li 0.44376530498522 0.36439283395584 0.59926647705864 6.941 > 2 3 Li 0.55623469501478 0.86439283395584 0.90073352294136 6.941 > 3 4 Li 0.44376530498522 0.13560716604416 0.09926647705864 6.941 > 4 *5 O 0.71717490432211 0.55654137151365 0.20618146639446 15.999 > 5 *6 O 0.93482768572406 0.82668505401568 0.04005280995232 15.999 > 6 *7 O 0.74258008675505 0.39537022254321 0.76942377165360 15.999 > 7 8 O 0.28282509567789 0.05654137151365 0.29381853360554 15.999 > 8 9 O 0.71717490432211 0.94345862848635 0.70618146639446 15.999 > 9 10 O 0.25741991324495 0.60462977745679 0.23057622834640 15.999 > 10 11 O 0.06517231427594 0.17331494598432 0.95994719004768 15.999 > 11 *12 O 0.54463428871022 0.38180027719014 0.39918560189171 15.999 > 12 *13 O 0.34334204646335 0.33992984613448 0.15750791144383 15.999 > 13 *14 O 0.82231721144950 0.31223593452650 0.59745661899965 15.999 > 14 *15 O 0.26776070341285 0.59564317596132 0.04139586895898 15.999 > 15 16 O 0.73223929658715 0.09564317596132 0.45860413104102 15.999 > 16 17 O 0.17768278855050 0.81223593452650 0.90254338100035 15.999 > 17 18 O 0.65665795353665 0.83992984613448 0.34249208855617 15.999 > 18 19 O 0.45536571128978 0.88180027719014 0.10081439810829 15.999 > 19 20 O 0.65665795353665 0.66007015386552 0.84249208855617 15.999 > 20 21 O 0.74258008675505 0.10462977745679 0.26942377165360 15.999 > 21 22 O 0.28282509567789 0.44345862848635 0.79381853360554 15.999 > 22 23 O 0.93482768572406 0.67331494598432 0.54005280995232 15.999 > 23 24 O 0.25741991324495 0.89537022254321 0.73057622834640 15.999 > 24 25 O 0.06517231427594 0.32668505401568 0.45994719004768 15.999 > 25 26 O 0.54463428871022 0.11819972280986 0.89918560189171 15.999 > 26 27 O 0.34334204646335 0.16007015386552 0.65750791144383 15.999 > 27 28 O 0.82231721144950 0.18776406547350 0.09745661899965 15.999 > 28 29 O 0.26776070341285 0.90435682403868 0.54139586895898 15.999 > 29 30 O 0.73223929658715 0.40435682403868 0.95860413104102 15.999 > 30 31 O 0.17768278855050 0.68776406547350 0.40254338100035 15.999 > 31 32 O 0.45536571128978 0.61819972280986 0.60081439810829 15.999 > 32 *33 P 0.80076269610742 0.29039657644619 0.48051549219432 30.974 > 33 34 P 0.19923730389258 0.70960342355381 0.51948450780568 30.974 > 34 *35 P 0.39901415490992 0.97823978408931 0.66218596047134 30.974 > 35 36 P 0.60098584509008 0.47823978408931 0.83781403952866 30.974 > 36 37 P 0.19923730389258 0.79039657644619 0.01948450780568 30.974 > 37 38 P 0.39901415490992 0.52176021591069 0.16218596047134 30.974 > 38 39 P 0.80076269610742 0.20960342355381 0.98051549219432 30.974 > 39 40 P 0.60098584509008 0.02176021591069 0.33781403952866 30.974 > 40 *41 Bi 0.08113855369015 0.30774773405456 0.27635443722293 208.980 > 41 42 Bi 0.91886144630985 0.80774773405456 0.22364556277707 208.980 > 42 43 Bi 0.08113855369015 0.19225226594544 0.77635443722293 208.980 > 43 44 Bi 0.91886144630985 0.69225226594544 0.72364556277707 208.980 > 44 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.377236622216882 0.000000000000000 0.000000000000000 b 0.000000000000000 8.190440389999997 0.000000000000000 c -5.180467927594451 0.000000000000000 12.216765684139453 Atomic positions (fractional): *1 Li 0.27811734750739 0.63560716604416 0.40073352294136 6.941 > 1 2 Li 0.77811734750739 0.63560716604416 0.40073352294136 6.941 > 1 3 Li 0.22188265249261 0.36439283395584 0.59926647705864 6.941 > 2 4 Li 0.72188265249261 0.36439283395584 0.59926647705864 6.941 > 2 5 Li 0.27811734750739 0.86439283395584 0.90073352294136 6.941 > 3 6 Li 0.77811734750739 0.86439283395584 0.90073352294136 6.941 > 3 7 Li 0.22188265249261 0.13560716604416 0.09926647705864 6.941 > 4 8 Li 0.72188265249261 0.13560716604416 0.09926647705864 6.941 > 4 *9 O 0.35858745216106 0.55654137151365 0.20618146639446 15.999 > 5 10 O 0.85858745216106 0.55654137151365 0.20618146639446 15.999 > 5 *11 O 0.46741384286203 0.82668505401568 0.04005280995232 15.999 > 6 12 O 0.96741384286203 0.82668505401568 0.04005280995232 15.999 > 6 *13 O 0.37129004337753 0.39537022254321 0.76942377165360 15.999 > 7 14 O 0.87129004337753 0.39537022254321 0.76942377165360 15.999 > 7 15 O 0.14141254783894 0.05654137151365 0.29381853360554 15.999 > 8 16 O 0.64141254783894 0.05654137151365 0.29381853360554 15.999 > 8 17 O 0.35858745216106 0.94345862848635 0.70618146639446 15.999 > 9 18 O 0.85858745216106 0.94345862848635 0.70618146639446 15.999 > 9 19 O 0.12870995662248 0.60462977745679 0.23057622834640 15.999 > 10 20 O 0.62870995662247 0.60462977745679 0.23057622834640 15.999 > 10 21 O 0.03258615713797 0.17331494598432 0.95994719004768 15.999 > 11 22 O 0.53258615713797 0.17331494598432 0.95994719004768 15.999 > 11 *23 O 0.27231714435511 0.38180027719014 0.39918560189171 15.999 > 12 24 O 0.77231714435511 0.38180027719014 0.39918560189171 15.999 > 12 *25 O 0.17167102323168 0.33992984613448 0.15750791144383 15.999 > 13 26 O 0.67167102323168 0.33992984613448 0.15750791144383 15.999 > 13 *27 O 0.41115860572475 0.31223593452650 0.59745661899965 15.999 > 14 28 O 0.91115860572475 0.31223593452650 0.59745661899965 15.999 > 14 *29 O 0.13388035170643 0.59564317596132 0.04139586895898 15.999 > 15 30 O 0.63388035170642 0.59564317596132 0.04139586895898 15.999 > 15 31 O 0.36611964829358 0.09564317596132 0.45860413104102 15.999 > 16 32 O 0.86611964829358 0.09564317596132 0.45860413104102 15.999 > 16 33 O 0.08884139427525 0.81223593452650 0.90254338100035 15.999 > 17 34 O 0.58884139427525 0.81223593452650 0.90254338100035 15.999 > 17 35 O 0.32832897676832 0.83992984613448 0.34249208855617 15.999 > 18 36 O 0.82832897676832 0.83992984613448 0.34249208855617 15.999 > 18 37 O 0.22768285564489 0.88180027719014 0.10081439810829 15.999 > 19 38 O 0.72768285564489 0.88180027719014 0.10081439810829 15.999 > 19 39 O 0.32832897676832 0.66007015386552 0.84249208855617 15.999 > 20 40 O 0.82832897676832 0.66007015386552 0.84249208855617 15.999 > 20 41 O 0.37129004337753 0.10462977745679 0.26942377165360 15.999 > 21 42 O 0.87129004337753 0.10462977745679 0.26942377165360 15.999 > 21 43 O 0.14141254783894 0.44345862848635 0.79381853360554 15.999 > 22 44 O 0.64141254783894 0.44345862848635 0.79381853360554 15.999 > 22 45 O 0.46741384286203 0.67331494598432 0.54005280995232 15.999 > 23 46 O 0.96741384286203 0.67331494598432 0.54005280995232 15.999 > 23 47 O 0.12870995662248 0.89537022254321 0.73057622834640 15.999 > 24 48 O 0.62870995662247 0.89537022254321 0.73057622834640 15.999 > 24 49 O 0.03258615713797 0.32668505401568 0.45994719004768 15.999 > 25 50 O 0.53258615713797 0.32668505401568 0.45994719004768 15.999 > 25 51 O 0.27231714435511 0.11819972280986 0.89918560189171 15.999 > 26 52 O 0.77231714435511 0.11819972280986 0.89918560189171 15.999 > 26 53 O 0.17167102323168 0.16007015386552 0.65750791144383 15.999 > 27 54 O 0.67167102323168 0.16007015386552 0.65750791144383 15.999 > 27 55 O 0.41115860572475 0.18776406547350 0.09745661899965 15.999 > 28 56 O 0.91115860572475 0.18776406547350 0.09745661899965 15.999 > 28 57 O 0.13388035170643 0.90435682403868 0.54139586895898 15.999 > 29 58 O 0.63388035170642 0.90435682403868 0.54139586895898 15.999 > 29 59 O 0.36611964829358 0.40435682403868 0.95860413104102 15.999 > 30 60 O 0.86611964829358 0.40435682403868 0.95860413104102 15.999 > 30 61 O 0.08884139427525 0.68776406547350 0.40254338100035 15.999 > 31 62 O 0.58884139427525 0.68776406547350 0.40254338100035 15.999 > 31 63 O 0.22768285564489 0.61819972280986 0.60081439810829 15.999 > 32 64 O 0.72768285564489 0.61819972280986 0.60081439810829 15.999 > 32 *65 P 0.40038134805371 0.29039657644619 0.48051549219432 30.974 > 33 66 P 0.90038134805371 0.29039657644619 0.48051549219432 30.974 > 33 67 P 0.09961865194629 0.70960342355381 0.51948450780568 30.974 > 34 68 P 0.59961865194629 0.70960342355381 0.51948450780568 30.974 > 34 *69 P 0.19950707745496 0.97823978408931 0.66218596047134 30.974 > 35 70 P 0.69950707745496 0.97823978408931 0.66218596047134 30.974 > 35 71 P 0.30049292254504 0.47823978408931 0.83781403952866 30.974 > 36 72 P 0.80049292254504 0.47823978408931 0.83781403952866 30.974 > 36 73 P 0.09961865194629 0.79039657644619 0.01948450780568 30.974 > 37 74 P 0.59961865194629 0.79039657644619 0.01948450780568 30.974 > 37 75 P 0.19950707745496 0.52176021591069 0.16218596047134 30.974 > 38 76 P 0.69950707745496 0.52176021591069 0.16218596047134 30.974 > 38 77 P 0.40038134805371 0.20960342355381 0.98051549219432 30.974 > 39 78 P 0.90038134805371 0.20960342355381 0.98051549219432 30.974 > 39 79 P 0.30049292254504 0.02176021591069 0.33781403952866 30.974 > 40 80 P 0.80049292254504 0.02176021591069 0.33781403952866 30.974 > 40 *81 Bi 0.04056927684508 0.30774773405456 0.27635443722293 208.980 > 41 82 Bi 0.54056927684508 0.30774773405456 0.27635443722293 208.980 > 41 83 Bi 0.45943072315492 0.80774773405456 0.22364556277707 208.980 > 42 84 Bi 0.95943072315492 0.80774773405456 0.22364556277707 208.980 > 42 85 Bi 0.04056927684508 0.19225226594544 0.77635443722293 208.980 > 43 86 Bi 0.54056927684508 0.19225226594544 0.77635443722293 208.980 > 43 87 Bi 0.45943072315492 0.69225226594544 0.72364556277707 208.980 > 44 88 Bi 0.95943072315492 0.69225226594544 0.72364556277707 208.980 > 44 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7253135 0.0000000 -0.0268294 0.0000000 3.5176338 0.0000000 -0.0268271 0.0000000 3.6389103 -------------------------- Born effective charges -------------------------- 1 Li 1.1420696 0.0901664 0.0961903 0.0821174 1.2470280 -0.0077196 0.0375282 -0.0120632 1.1934823 2 Li 1.1420696 0.0901664 0.0961903 0.0821174 1.2470280 -0.0077196 0.0375282 -0.0120632 1.1934823 3 Li 1.1420696 -0.0901664 0.0961903 -0.0821174 1.2470280 0.0077196 0.0375282 0.0120632 1.1934823 4 Li 1.1420696 -0.0901664 0.0961903 -0.0821174 1.2470280 0.0077196 0.0375282 0.0120632 1.1934823 5 O -2.8700489 -0.4178319 -0.6640577 -0.4194912 -2.3596286 0.0094558 -0.5783483 0.0050898 -1.0393576 6 O -2.4453974 0.1642926 0.5830213 0.2976142 -1.0483675 -0.0417743 0.7504294 0.0459410 -2.0653871 7 O -2.4777239 0.7245044 0.6237565 0.4656867 -2.0875626 -0.0113463 0.4006469 -0.0366283 -1.3012569 8 O -2.8700489 0.4178319 -0.6640577 0.4194912 -2.3596286 -0.0094558 -0.5783483 -0.0050898 -1.0393576 9 O -2.8700489 0.4178319 -0.6640577 0.4194912 -2.3596286 -0.0094558 -0.5783483 -0.0050898 -1.0393576 10 O -2.4777239 0.7245044 0.6237565 0.4656867 -2.0875626 -0.0113463 0.4006469 -0.0366283 -1.3012569 11 O -2.4453974 0.1642926 0.5830213 0.2976142 -1.0483675 -0.0417743 0.7504294 0.0459410 -2.0653871 12 O -2.1397205 0.3343290 -1.1213741 0.1408701 -1.4074907 0.2265731 -0.9607784 0.1460387 -2.2625800 13 O -1.9478001 -0.4325688 0.4412392 -0.5207513 -2.2374467 0.0902926 0.3650005 0.0737545 -1.3470245 14 O -1.3400232 0.1433929 0.0116420 0.1144254 -1.1211013 0.1702311 0.5974771 0.2489696 -3.4323963 15 O -1.0535866 0.0838854 -0.1226188 0.1667811 -2.0544763 0.7356044 -0.0837272 0.8623437 -1.9829971 16 O -1.0535866 -0.0838854 -0.1226188 -0.1667811 -2.0544763 -0.7356044 -0.0837272 -0.8623437 -1.9829971 17 O -1.3400232 -0.1433929 0.0116420 -0.1144254 -1.1211013 -0.1702311 0.5974771 -0.2489696 -3.4323963 18 O -1.9478001 0.4325688 0.4412392 0.5207513 -2.2374467 -0.0902926 0.3650005 -0.0737545 -1.3470245 19 O -2.1397205 -0.3343290 -1.1213741 -0.1408701 -1.4074907 -0.2265731 -0.9607784 -0.1460387 -2.2625800 20 O -1.9478001 -0.4325688 0.4412392 -0.5207513 -2.2374467 0.0902926 0.3650005 0.0737545 -1.3470245 21 O -2.4777239 -0.7245044 0.6237565 -0.4656867 -2.0875626 0.0113463 0.4006469 0.0366283 -1.3012569 22 O -2.8700489 -0.4178319 -0.6640577 -0.4194912 -2.3596286 0.0094558 -0.5783483 0.0050898 -1.0393576 23 O -2.4453974 -0.1642926 0.5830213 -0.2976142 -1.0483675 0.0417743 0.7504294 -0.0459410 -2.0653871 24 O -2.4777239 -0.7245044 0.6237565 -0.4656867 -2.0875626 0.0113463 0.4006469 0.0366283 -1.3012569 25 O -2.4453974 -0.1642926 0.5830213 -0.2976142 -1.0483675 0.0417743 0.7504294 -0.0459410 -2.0653871 26 O -2.1397205 -0.3343290 -1.1213741 -0.1408701 -1.4074907 -0.2265731 -0.9607784 -0.1460387 -2.2625800 27 O -1.9478001 0.4325688 0.4412392 0.5207513 -2.2374467 -0.0902926 0.3650005 -0.0737545 -1.3470245 28 O -1.3400232 -0.1433929 0.0116420 -0.1144254 -1.1211013 -0.1702311 0.5974771 -0.2489696 -3.4323963 29 O -1.0535866 -0.0838854 -0.1226188 -0.1667811 -2.0544763 -0.7356044 -0.0837272 -0.8623437 -1.9829971 30 O -1.0535866 0.0838854 -0.1226188 0.1667811 -2.0544763 0.7356044 -0.0837272 0.8623437 -1.9829971 31 O -1.3400232 0.1433929 0.0116420 0.1144254 -1.1211013 0.1702311 0.5974771 0.2489696 -3.4323963 32 O -2.1397205 0.3343290 -1.1213741 0.1408701 -1.4074907 0.2265731 -0.9607784 0.1460387 -2.2625800 33 P 3.7856078 -0.2702963 0.4956538 0.1233021 3.1502170 -0.0904175 -0.6823503 0.3221514 4.3421616 34 P 3.7856078 -0.2702963 0.4956538 0.1233021 3.1502170 -0.0904175 -0.6823503 0.3221514 4.3421616 35 P 4.3421884 -0.4738294 -0.0541171 -0.3871242 3.2148300 0.2354054 0.1613833 0.3761373 3.1727125 36 P 4.3421884 0.4738294 -0.0541171 0.3871242 3.2148300 -0.2354054 0.1613833 -0.3761373 3.1727125 37 P 3.7856078 0.2702963 0.4956538 -0.1233021 3.1502170 0.0904175 -0.6823503 -0.3221514 4.3421616 38 P 4.3421884 0.4738294 -0.0541171 0.3871242 3.2148300 -0.2354054 0.1613833 -0.3761373 3.1727125 39 P 3.7856078 0.2702963 0.4956538 -0.1233021 3.1502170 0.0904175 -0.6823503 -0.3221514 4.3421616 40 P 4.3421884 -0.4738294 -0.0541171 -0.3871242 3.2148300 0.2354054 0.1613833 0.3761373 3.1727125 41 Bi 5.0044348 0.0927398 -0.2893353 0.4567941 4.7039988 -0.4559482 -0.0072613 0.3080066 4.7226431 42 Bi 5.0044348 -0.0927398 -0.2893353 -0.4567941 4.7039988 0.4559482 -0.0072613 -0.3080066 4.7226431 43 Bi 5.0044348 -0.0927398 -0.2893353 -0.4567941 4.7039988 0.4559482 -0.0072613 -0.3080066 4.7226431 44 Bi 5.0044348 0.0927398 -0.2893353 0.4567941 4.7039988 -0.4559482 -0.0072613 0.3080066 4.7226431 ---------------------------------------------------------------------------- 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: 264/264 Permutation basis: 17556/17556 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4488 Number of blocks in projector: 4488 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: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 41 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 968 / 968 (1) 448 eigenvectors found. (1) Complementary block size: 42 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 41 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 968 / 968 (1) 448 eigenvectors found. (1) Complementary block size: 42 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 968 / 968 (1) 453 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4488, 4390), data: False |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (968, 947), data: False |-- (968, 15), data: (968, 36) @ (36, 15) |-- (468, 453), data: True |-- (500, 479), data: False |-- (500, 19), data: (500, 40) @ (40, 19) |-- (250, 231), data: True |-- (250, 229), data: True |-- (968, 946), data: False |-- (968, 20), data: (968, 42) @ (42, 20) |-- (468, 448), data: True |-- (500, 478), data: False |-- (500, 19), data: (500, 41) @ (41, 19) |-- (250, 231), data: True |-- (250, 228), data: True |-- (968, 946), data: False |-- (968, 20), data: (968, 42) @ (42, 20) |-- (468, 448), data: True |-- (500, 478), data: False |-- (500, 19), data: (500, 41) @ (41, 19) |-- (250, 231), data: True |-- (250, 228), data: True ----- Solver_atoms: 1 -- 88 / 88 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 1360 - Time: 1.579 Solver_block: 200 / 1360 - Time: 1.359 Solver_block: 300 / 1360 - Time: 1.190 Solver_block: 400 / 1360 - Time: 0.838 Solver_block: 500 / 1360 - Time: 1.589 Solver_block: 600 / 1360 - Time: 0.873 Solver_block: 700 / 1360 - Time: 0.776 Solver_block: 800 / 1360 - Time: 1.886 Solver_block: 900 / 1360 - Time: 2.112 Solver_block: 1000 / 1360 - Time: 1.387 Solver_block: 1100 / 1360 - Time: 0.780 Solver_block: 1200 / 1360 - Time: 1.953 Solver_block: 1300 / 1360 - Time: 2.525 Solver_block: 1360 / 1360 - Time: 1.164 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 20.727 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 264/264 Permutation basis: 17556/17556 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4488 Number of blocks in projector: 4488 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: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 41 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 968 / 968 (1) 448 eigenvectors found. (1) Complementary block size: 42 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 41 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 968 / 968 (1) 448 eigenvectors found. (1) Complementary block size: 42 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 968 / 968 (1) 453 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4488, 4390), data: False |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (968, 947), data: False |-- (968, 15), data: (968, 36) @ (36, 15) |-- (468, 453), data: True |-- (500, 479), data: False |-- (500, 19), data: (500, 40) @ (40, 19) |-- (250, 231), data: True |-- (250, 229), data: True |-- (968, 946), data: False |-- (968, 20), data: (968, 42) @ (42, 20) |-- (468, 448), data: True |-- (500, 478), data: False |-- (500, 19), data: (500, 41) @ (41, 19) |-- (250, 231), data: True |-- (250, 228), data: True |-- (968, 946), data: False |-- (968, 20), data: (968, 42) @ (42, 20) |-- (468, 448), data: True |-- (500, 478), data: False |-- (500, 19), data: (500, 41) @ (41, 19) |-- (250, 231), data: True |-- (250, 228), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 05:56:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:56:29]------------------------- 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 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.188618311108441 0.000000000000000 0.000000000000000 b 0.000000000000000 8.190440389999997 0.000000000000000 c -5.180467927594451 0.000000000000000 12.216765684139453 Atomic positions (fractional): 1 Li 0.55623469501478 0.63560716604416 0.40073352294136 6.941 2 Li 0.44376530498522 0.36439283395584 0.59926647705864 6.941 3 Li 0.55623469501478 0.86439283395584 0.90073352294136 6.941 4 Li 0.44376530498522 0.13560716604416 0.09926647705864 6.941 5 O 0.71717490432211 0.55654137151365 0.20618146639446 15.999 6 O 0.93482768572406 0.82668505401568 0.04005280995232 15.999 7 O 0.74258008675505 0.39537022254321 0.76942377165360 15.999 8 O 0.28282509567789 0.05654137151365 0.29381853360554 15.999 9 O 0.71717490432211 0.94345862848635 0.70618146639446 15.999 10 O 0.25741991324495 0.60462977745679 0.23057622834640 15.999 11 O 0.06517231427594 0.17331494598432 0.95994719004768 15.999 12 O 0.54463428871022 0.38180027719014 0.39918560189171 15.999 13 O 0.34334204646335 0.33992984613448 0.15750791144383 15.999 14 O 0.82231721144950 0.31223593452650 0.59745661899965 15.999 15 O 0.26776070341285 0.59564317596132 0.04139586895898 15.999 16 O 0.73223929658715 0.09564317596132 0.45860413104102 15.999 17 O 0.17768278855050 0.81223593452650 0.90254338100035 15.999 18 O 0.65665795353665 0.83992984613448 0.34249208855617 15.999 19 O 0.45536571128978 0.88180027719014 0.10081439810829 15.999 20 O 0.65665795353665 0.66007015386552 0.84249208855617 15.999 21 O 0.74258008675505 0.10462977745679 0.26942377165360 15.999 22 O 0.28282509567789 0.44345862848635 0.79381853360554 15.999 23 O 0.93482768572406 0.67331494598432 0.54005280995232 15.999 24 O 0.25741991324495 0.89537022254321 0.73057622834640 15.999 25 O 0.06517231427594 0.32668505401568 0.45994719004768 15.999 26 O 0.54463428871022 0.11819972280986 0.89918560189171 15.999 27 O 0.34334204646335 0.16007015386552 0.65750791144383 15.999 28 O 0.82231721144950 0.18776406547350 0.09745661899965 15.999 29 O 0.26776070341285 0.90435682403868 0.54139586895898 15.999 30 O 0.73223929658715 0.40435682403868 0.95860413104102 15.999 31 O 0.17768278855050 0.68776406547350 0.40254338100035 15.999 32 O 0.45536571128978 0.61819972280986 0.60081439810829 15.999 33 P 0.80076269610742 0.29039657644619 0.48051549219432 30.974 34 P 0.19923730389258 0.70960342355381 0.51948450780568 30.974 35 P 0.39901415490992 0.97823978408931 0.66218596047134 30.974 36 P 0.60098584509008 0.47823978408931 0.83781403952866 30.974 37 P 0.19923730389258 0.79039657644619 0.01948450780568 30.974 38 P 0.39901415490992 0.52176021591069 0.16218596047134 30.974 39 P 0.80076269610742 0.20960342355381 0.98051549219432 30.974 40 P 0.60098584509008 0.02176021591069 0.33781403952866 30.974 41 Bi 0.08113855369015 0.30774773405456 0.27635443722293 208.980 42 Bi 0.91886144630985 0.80774773405456 0.22364556277707 208.980 43 Bi 0.08113855369015 0.19225226594544 0.77635443722293 208.980 44 Bi 0.91886144630985 0.69225226594544 0.72364556277707 208.980 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.377236622216882 0.000000000000000 0.000000000000000 b 0.000000000000000 8.190440389999997 0.000000000000000 c -5.180467927594451 0.000000000000000 12.216765684139453 Atomic positions (fractional): 1 Li 0.27811734750739 0.63560716604416 0.40073352294136 6.941 > 1 2 Li 0.77811734750739 0.63560716604416 0.40073352294136 6.941 > 1 3 Li 0.22188265249261 0.36439283395584 0.59926647705864 6.941 > 3 4 Li 0.72188265249261 0.36439283395584 0.59926647705864 6.941 > 3 5 Li 0.27811734750739 0.86439283395584 0.90073352294136 6.941 > 5 6 Li 0.77811734750739 0.86439283395584 0.90073352294136 6.941 > 5 7 Li 0.22188265249261 0.13560716604416 0.09926647705864 6.941 > 7 8 Li 0.72188265249261 0.13560716604416 0.09926647705864 6.941 > 7 9 O 0.35858745216106 0.55654137151365 0.20618146639446 15.999 > 9 10 O 0.85858745216106 0.55654137151365 0.20618146639446 15.999 > 9 11 O 0.46741384286203 0.82668505401568 0.04005280995232 15.999 > 11 12 O 0.96741384286203 0.82668505401568 0.04005280995232 15.999 > 11 13 O 0.37129004337753 0.39537022254321 0.76942377165360 15.999 > 13 14 O 0.87129004337753 0.39537022254321 0.76942377165360 15.999 > 13 15 O 0.14141254783894 0.05654137151365 0.29381853360554 15.999 > 15 16 O 0.64141254783894 0.05654137151365 0.29381853360554 15.999 > 15 17 O 0.35858745216106 0.94345862848635 0.70618146639446 15.999 > 17 18 O 0.85858745216106 0.94345862848635 0.70618146639446 15.999 > 17 19 O 0.12870995662248 0.60462977745679 0.23057622834640 15.999 > 19 20 O 0.62870995662247 0.60462977745679 0.23057622834640 15.999 > 19 21 O 0.03258615713797 0.17331494598432 0.95994719004768 15.999 > 21 22 O 0.53258615713797 0.17331494598432 0.95994719004768 15.999 > 21 23 O 0.27231714435511 0.38180027719014 0.39918560189171 15.999 > 23 24 O 0.77231714435511 0.38180027719014 0.39918560189171 15.999 > 23 25 O 0.17167102323168 0.33992984613448 0.15750791144383 15.999 > 25 26 O 0.67167102323168 0.33992984613448 0.15750791144383 15.999 > 25 27 O 0.41115860572475 0.31223593452650 0.59745661899965 15.999 > 27 28 O 0.91115860572475 0.31223593452650 0.59745661899965 15.999 > 27 29 O 0.13388035170643 0.59564317596132 0.04139586895898 15.999 > 29 30 O 0.63388035170642 0.59564317596132 0.04139586895898 15.999 > 29 31 O 0.36611964829358 0.09564317596132 0.45860413104102 15.999 > 31 32 O 0.86611964829358 0.09564317596132 0.45860413104102 15.999 > 31 33 O 0.08884139427525 0.81223593452650 0.90254338100035 15.999 > 33 34 O 0.58884139427525 0.81223593452650 0.90254338100035 15.999 > 33 35 O 0.32832897676832 0.83992984613448 0.34249208855617 15.999 > 35 36 O 0.82832897676832 0.83992984613448 0.34249208855617 15.999 > 35 37 O 0.22768285564489 0.88180027719014 0.10081439810829 15.999 > 37 38 O 0.72768285564489 0.88180027719014 0.10081439810829 15.999 > 37 39 O 0.32832897676832 0.66007015386552 0.84249208855617 15.999 > 39 40 O 0.82832897676832 0.66007015386552 0.84249208855617 15.999 > 39 41 O 0.37129004337753 0.10462977745679 0.26942377165360 15.999 > 41 42 O 0.87129004337753 0.10462977745679 0.26942377165360 15.999 > 41 43 O 0.14141254783894 0.44345862848635 0.79381853360554 15.999 > 43 44 O 0.64141254783894 0.44345862848635 0.79381853360554 15.999 > 43 45 O 0.46741384286203 0.67331494598432 0.54005280995232 15.999 > 45 46 O 0.96741384286203 0.67331494598432 0.54005280995232 15.999 > 45 47 O 0.12870995662248 0.89537022254321 0.73057622834640 15.999 > 47 48 O 0.62870995662247 0.89537022254321 0.73057622834640 15.999 > 47 49 O 0.03258615713797 0.32668505401568 0.45994719004768 15.999 > 49 50 O 0.53258615713797 0.32668505401568 0.45994719004768 15.999 > 49 51 O 0.27231714435511 0.11819972280986 0.89918560189171 15.999 > 51 52 O 0.77231714435511 0.11819972280986 0.89918560189171 15.999 > 51 53 O 0.17167102323168 0.16007015386552 0.65750791144383 15.999 > 53 54 O 0.67167102323168 0.16007015386552 0.65750791144383 15.999 > 53 55 O 0.41115860572475 0.18776406547350 0.09745661899965 15.999 > 55 56 O 0.91115860572475 0.18776406547350 0.09745661899965 15.999 > 55 57 O 0.13388035170643 0.90435682403868 0.54139586895898 15.999 > 57 58 O 0.63388035170642 0.90435682403868 0.54139586895898 15.999 > 57 59 O 0.36611964829358 0.40435682403868 0.95860413104102 15.999 > 59 60 O 0.86611964829358 0.40435682403868 0.95860413104102 15.999 > 59 61 O 0.08884139427525 0.68776406547350 0.40254338100035 15.999 > 61 62 O 0.58884139427525 0.68776406547350 0.40254338100035 15.999 > 61 63 O 0.22768285564489 0.61819972280986 0.60081439810829 15.999 > 63 64 O 0.72768285564489 0.61819972280986 0.60081439810829 15.999 > 63 65 P 0.40038134805371 0.29039657644619 0.48051549219432 30.974 > 65 66 P 0.90038134805371 0.29039657644619 0.48051549219432 30.974 > 65 67 P 0.09961865194629 0.70960342355381 0.51948450780568 30.974 > 67 68 P 0.59961865194629 0.70960342355381 0.51948450780568 30.974 > 67 69 P 0.19950707745496 0.97823978408931 0.66218596047134 30.974 > 69 70 P 0.69950707745496 0.97823978408931 0.66218596047134 30.974 > 69 71 P 0.30049292254504 0.47823978408931 0.83781403952866 30.974 > 71 72 P 0.80049292254504 0.47823978408931 0.83781403952866 30.974 > 71 73 P 0.09961865194629 0.79039657644619 0.01948450780568 30.974 > 73 74 P 0.59961865194629 0.79039657644619 0.01948450780568 30.974 > 73 75 P 0.19950707745496 0.52176021591069 0.16218596047134 30.974 > 75 76 P 0.69950707745496 0.52176021591069 0.16218596047134 30.974 > 75 77 P 0.40038134805371 0.20960342355381 0.98051549219432 30.974 > 77 78 P 0.90038134805371 0.20960342355381 0.98051549219432 30.974 > 77 79 P 0.30049292254504 0.02176021591069 0.33781403952866 30.974 > 79 80 P 0.80049292254504 0.02176021591069 0.33781403952866 30.974 > 79 81 Bi 0.04056927684508 0.30774773405456 0.27635443722293 208.980 > 81 82 Bi 0.54056927684508 0.30774773405456 0.27635443722293 208.980 > 81 83 Bi 0.45943072315492 0.80774773405456 0.22364556277707 208.980 > 83 84 Bi 0.95943072315492 0.80774773405456 0.22364556277707 208.980 > 83 85 Bi 0.04056927684508 0.19225226594544 0.77635443722293 208.980 > 85 86 Bi 0.54056927684508 0.19225226594544 0.77635443722293 208.980 > 85 87 Bi 0.45943072315492 0.69225226594544 0.72364556277707 208.980 > 87 88 Bi 0.95943072315492 0.69225226594544 0.72364556277707 208.980 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7253135 0.0000000 -0.0268294 0.0000000 3.5176338 0.0000000 -0.0268271 0.0000000 3.6389103 -------------------------- Born effective charges -------------------------- 1 Li 1.1420696 0.0901664 0.0961903 0.0821174 1.2470280 -0.0077196 0.0375282 -0.0120632 1.1934823 2 Li 1.1420696 0.0901664 0.0961903 0.0821174 1.2470280 -0.0077196 0.0375282 -0.0120632 1.1934823 3 Li 1.1420696 -0.0901664 0.0961903 -0.0821174 1.2470280 0.0077196 0.0375282 0.0120632 1.1934823 4 Li 1.1420696 -0.0901664 0.0961903 -0.0821174 1.2470280 0.0077196 0.0375282 0.0120632 1.1934823 5 O -2.8700489 -0.4178319 -0.6640577 -0.4194912 -2.3596286 0.0094558 -0.5783483 0.0050898 -1.0393576 6 O -2.4453974 0.1642926 0.5830213 0.2976142 -1.0483675 -0.0417743 0.7504294 0.0459410 -2.0653871 7 O -2.4777239 0.7245044 0.6237565 0.4656867 -2.0875626 -0.0113463 0.4006469 -0.0366283 -1.3012569 8 O -2.8700489 0.4178319 -0.6640577 0.4194912 -2.3596286 -0.0094558 -0.5783483 -0.0050898 -1.0393576 9 O -2.8700489 0.4178319 -0.6640577 0.4194912 -2.3596286 -0.0094558 -0.5783483 -0.0050898 -1.0393576 10 O -2.4777239 0.7245044 0.6237565 0.4656867 -2.0875626 -0.0113463 0.4006469 -0.0366283 -1.3012569 11 O -2.4453974 0.1642926 0.5830213 0.2976142 -1.0483675 -0.0417743 0.7504294 0.0459410 -2.0653871 12 O -2.1397205 0.3343290 -1.1213741 0.1408701 -1.4074907 0.2265731 -0.9607784 0.1460387 -2.2625800 13 O -1.9478001 -0.4325688 0.4412392 -0.5207513 -2.2374467 0.0902926 0.3650005 0.0737545 -1.3470245 14 O -1.3400232 0.1433929 0.0116420 0.1144254 -1.1211013 0.1702311 0.5974771 0.2489696 -3.4323963 15 O -1.0535866 0.0838854 -0.1226188 0.1667811 -2.0544763 0.7356044 -0.0837272 0.8623437 -1.9829971 16 O -1.0535866 -0.0838854 -0.1226188 -0.1667811 -2.0544763 -0.7356044 -0.0837272 -0.8623437 -1.9829971 17 O -1.3400232 -0.1433929 0.0116420 -0.1144254 -1.1211013 -0.1702311 0.5974771 -0.2489696 -3.4323963 18 O -1.9478001 0.4325688 0.4412392 0.5207513 -2.2374467 -0.0902926 0.3650005 -0.0737545 -1.3470245 19 O -2.1397205 -0.3343290 -1.1213741 -0.1408701 -1.4074907 -0.2265731 -0.9607784 -0.1460387 -2.2625800 20 O -1.9478001 -0.4325688 0.4412392 -0.5207513 -2.2374467 0.0902926 0.3650005 0.0737545 -1.3470245 21 O -2.4777239 -0.7245044 0.6237565 -0.4656867 -2.0875626 0.0113463 0.4006469 0.0366283 -1.3012569 22 O -2.8700489 -0.4178319 -0.6640577 -0.4194912 -2.3596286 0.0094558 -0.5783483 0.0050898 -1.0393576 23 O -2.4453974 -0.1642926 0.5830213 -0.2976142 -1.0483675 0.0417743 0.7504294 -0.0459410 -2.0653871 24 O -2.4777239 -0.7245044 0.6237565 -0.4656867 -2.0875626 0.0113463 0.4006469 0.0366283 -1.3012569 25 O -2.4453974 -0.1642926 0.5830213 -0.2976142 -1.0483675 0.0417743 0.7504294 -0.0459410 -2.0653871 26 O -2.1397205 -0.3343290 -1.1213741 -0.1408701 -1.4074907 -0.2265731 -0.9607784 -0.1460387 -2.2625800 27 O -1.9478001 0.4325688 0.4412392 0.5207513 -2.2374467 -0.0902926 0.3650005 -0.0737545 -1.3470245 28 O -1.3400232 -0.1433929 0.0116420 -0.1144254 -1.1211013 -0.1702311 0.5974771 -0.2489696 -3.4323963 29 O -1.0535866 -0.0838854 -0.1226188 -0.1667811 -2.0544763 -0.7356044 -0.0837272 -0.8623437 -1.9829971 30 O -1.0535866 0.0838854 -0.1226188 0.1667811 -2.0544763 0.7356044 -0.0837272 0.8623437 -1.9829971 31 O -1.3400232 0.1433929 0.0116420 0.1144254 -1.1211013 0.1702311 0.5974771 0.2489696 -3.4323963 32 O -2.1397205 0.3343290 -1.1213741 0.1408701 -1.4074907 0.2265731 -0.9607784 0.1460387 -2.2625800 33 P 3.7856078 -0.2702963 0.4956538 0.1233021 3.1502170 -0.0904175 -0.6823503 0.3221514 4.3421616 34 P 3.7856078 -0.2702963 0.4956538 0.1233021 3.1502170 -0.0904175 -0.6823503 0.3221514 4.3421616 35 P 4.3421884 -0.4738294 -0.0541171 -0.3871242 3.2148300 0.2354054 0.1613833 0.3761373 3.1727125 36 P 4.3421884 0.4738294 -0.0541171 0.3871242 3.2148300 -0.2354054 0.1613833 -0.3761373 3.1727125 37 P 3.7856078 0.2702963 0.4956538 -0.1233021 3.1502170 0.0904175 -0.6823503 -0.3221514 4.3421616 38 P 4.3421884 0.4738294 -0.0541171 0.3871242 3.2148300 -0.2354054 0.1613833 -0.3761373 3.1727125 39 P 3.7856078 0.2702963 0.4956538 -0.1233021 3.1502170 0.0904175 -0.6823503 -0.3221514 4.3421616 40 P 4.3421884 -0.4738294 -0.0541171 -0.3871242 3.2148300 0.2354054 0.1613833 0.3761373 3.1727125 41 Bi 5.0044348 0.0927398 -0.2893353 0.4567941 4.7039988 -0.4559482 -0.0072613 0.3080066 4.7226431 42 Bi 5.0044348 -0.0927398 -0.2893353 -0.4567941 4.7039988 0.4559482 -0.0072613 -0.3080066 4.7226431 43 Bi 5.0044348 -0.0927398 -0.2893353 -0.4567941 4.7039988 0.4559482 -0.0072613 -0.3080066 4.7226431 44 Bi 5.0044348 0.0927398 -0.2893353 0.4567941 4.7039988 -0.4559482 -0.0072613 0.3080066 4.7226431 ---------------------------------------------------------------------------- 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Computing fc3[ 9, 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Computing fc3[ 11, 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Computing fc3[ 13, 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Computing fc3[ 23, 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Computing fc3[ 27, 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Computing fc3[ 29, 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (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 2026-01-08 05:57:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:57:08]------------------------- 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 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.188618311108441 0.000000000000000 0.000000000000000 b 0.000000000000000 8.190440389999997 0.000000000000000 c -5.180467927594451 0.000000000000000 12.216765684139453 Atomic positions (fractional): 1 Li 0.55623469501478 0.63560716604416 0.40073352294136 6.941 2 Li 0.44376530498522 0.36439283395584 0.59926647705864 6.941 3 Li 0.55623469501478 0.86439283395584 0.90073352294136 6.941 4 Li 0.44376530498522 0.13560716604416 0.09926647705864 6.941 5 O 0.71717490432211 0.55654137151365 0.20618146639446 15.999 6 O 0.93482768572406 0.82668505401568 0.04005280995232 15.999 7 O 0.74258008675505 0.39537022254321 0.76942377165360 15.999 8 O 0.28282509567789 0.05654137151365 0.29381853360554 15.999 9 O 0.71717490432211 0.94345862848635 0.70618146639446 15.999 10 O 0.25741991324495 0.60462977745679 0.23057622834640 15.999 11 O 0.06517231427594 0.17331494598432 0.95994719004768 15.999 12 O 0.54463428871022 0.38180027719014 0.39918560189171 15.999 13 O 0.34334204646335 0.33992984613448 0.15750791144383 15.999 14 O 0.82231721144950 0.31223593452650 0.59745661899965 15.999 15 O 0.26776070341285 0.59564317596132 0.04139586895898 15.999 16 O 0.73223929658715 0.09564317596132 0.45860413104102 15.999 17 O 0.17768278855050 0.81223593452650 0.90254338100035 15.999 18 O 0.65665795353665 0.83992984613448 0.34249208855617 15.999 19 O 0.45536571128978 0.88180027719014 0.10081439810829 15.999 20 O 0.65665795353665 0.66007015386552 0.84249208855617 15.999 21 O 0.74258008675505 0.10462977745679 0.26942377165360 15.999 22 O 0.28282509567789 0.44345862848635 0.79381853360554 15.999 23 O 0.93482768572406 0.67331494598432 0.54005280995232 15.999 24 O 0.25741991324495 0.89537022254321 0.73057622834640 15.999 25 O 0.06517231427594 0.32668505401568 0.45994719004768 15.999 26 O 0.54463428871022 0.11819972280986 0.89918560189171 15.999 27 O 0.34334204646335 0.16007015386552 0.65750791144383 15.999 28 O 0.82231721144950 0.18776406547350 0.09745661899965 15.999 29 O 0.26776070341285 0.90435682403868 0.54139586895898 15.999 30 O 0.73223929658715 0.40435682403868 0.95860413104102 15.999 31 O 0.17768278855050 0.68776406547350 0.40254338100035 15.999 32 O 0.45536571128978 0.61819972280986 0.60081439810829 15.999 33 P 0.80076269610742 0.29039657644619 0.48051549219432 30.974 34 P 0.19923730389258 0.70960342355381 0.51948450780568 30.974 35 P 0.39901415490992 0.97823978408931 0.66218596047134 30.974 36 P 0.60098584509008 0.47823978408931 0.83781403952866 30.974 37 P 0.19923730389258 0.79039657644619 0.01948450780568 30.974 38 P 0.39901415490992 0.52176021591069 0.16218596047134 30.974 39 P 0.80076269610742 0.20960342355381 0.98051549219432 30.974 40 P 0.60098584509008 0.02176021591069 0.33781403952866 30.974 41 Bi 0.08113855369015 0.30774773405456 0.27635443722293 208.980 42 Bi 0.91886144630985 0.80774773405456 0.22364556277707 208.980 43 Bi 0.08113855369015 0.19225226594544 0.77635443722293 208.980 44 Bi 0.91886144630985 0.69225226594544 0.72364556277707 208.980 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.377236622216882 0.000000000000000 0.000000000000000 b 0.000000000000000 8.190440389999997 0.000000000000000 c -5.180467927594451 0.000000000000000 12.216765684139453 Atomic positions (fractional): 1 Li 0.27811734750739 0.63560716604416 0.40073352294136 6.941 > 1 2 Li 0.77811734750739 0.63560716604416 0.40073352294136 6.941 > 1 3 Li 0.22188265249261 0.36439283395584 0.59926647705864 6.941 > 3 4 Li 0.72188265249261 0.36439283395584 0.59926647705864 6.941 > 3 5 Li 0.27811734750739 0.86439283395584 0.90073352294136 6.941 > 5 6 Li 0.77811734750739 0.86439283395584 0.90073352294136 6.941 > 5 7 Li 0.22188265249261 0.13560716604416 0.09926647705864 6.941 > 7 8 Li 0.72188265249261 0.13560716604416 0.09926647705864 6.941 > 7 9 O 0.35858745216106 0.55654137151365 0.20618146639446 15.999 > 9 10 O 0.85858745216106 0.55654137151365 0.20618146639446 15.999 > 9 11 O 0.46741384286203 0.82668505401568 0.04005280995232 15.999 > 11 12 O 0.96741384286203 0.82668505401568 0.04005280995232 15.999 > 11 13 O 0.37129004337753 0.39537022254321 0.76942377165360 15.999 > 13 14 O 0.87129004337753 0.39537022254321 0.76942377165360 15.999 > 13 15 O 0.14141254783894 0.05654137151365 0.29381853360554 15.999 > 15 16 O 0.64141254783894 0.05654137151365 0.29381853360554 15.999 > 15 17 O 0.35858745216106 0.94345862848635 0.70618146639446 15.999 > 17 18 O 0.85858745216106 0.94345862848635 0.70618146639446 15.999 > 17 19 O 0.12870995662248 0.60462977745679 0.23057622834640 15.999 > 19 20 O 0.62870995662247 0.60462977745679 0.23057622834640 15.999 > 19 21 O 0.03258615713797 0.17331494598432 0.95994719004768 15.999 > 21 22 O 0.53258615713797 0.17331494598432 0.95994719004768 15.999 > 21 23 O 0.27231714435511 0.38180027719014 0.39918560189171 15.999 > 23 24 O 0.77231714435511 0.38180027719014 0.39918560189171 15.999 > 23 25 O 0.17167102323168 0.33992984613448 0.15750791144383 15.999 > 25 26 O 0.67167102323168 0.33992984613448 0.15750791144383 15.999 > 25 27 O 0.41115860572475 0.31223593452650 0.59745661899965 15.999 > 27 28 O 0.91115860572475 0.31223593452650 0.59745661899965 15.999 > 27 29 O 0.13388035170643 0.59564317596132 0.04139586895898 15.999 > 29 30 O 0.63388035170642 0.59564317596132 0.04139586895898 15.999 > 29 31 O 0.36611964829358 0.09564317596132 0.45860413104102 15.999 > 31 32 O 0.86611964829358 0.09564317596132 0.45860413104102 15.999 > 31 33 O 0.08884139427525 0.81223593452650 0.90254338100035 15.999 > 33 34 O 0.58884139427525 0.81223593452650 0.90254338100035 15.999 > 33 35 O 0.32832897676832 0.83992984613448 0.34249208855617 15.999 > 35 36 O 0.82832897676832 0.83992984613448 0.34249208855617 15.999 > 35 37 O 0.22768285564489 0.88180027719014 0.10081439810829 15.999 > 37 38 O 0.72768285564489 0.88180027719014 0.10081439810829 15.999 > 37 39 O 0.32832897676832 0.66007015386552 0.84249208855617 15.999 > 39 40 O 0.82832897676832 0.66007015386552 0.84249208855617 15.999 > 39 41 O 0.37129004337753 0.10462977745679 0.26942377165360 15.999 > 41 42 O 0.87129004337753 0.10462977745679 0.26942377165360 15.999 > 41 43 O 0.14141254783894 0.44345862848635 0.79381853360554 15.999 > 43 44 O 0.64141254783894 0.44345862848635 0.79381853360554 15.999 > 43 45 O 0.46741384286203 0.67331494598432 0.54005280995232 15.999 > 45 46 O 0.96741384286203 0.67331494598432 0.54005280995232 15.999 > 45 47 O 0.12870995662248 0.89537022254321 0.73057622834640 15.999 > 47 48 O 0.62870995662247 0.89537022254321 0.73057622834640 15.999 > 47 49 O 0.03258615713797 0.32668505401568 0.45994719004768 15.999 > 49 50 O 0.53258615713797 0.32668505401568 0.45994719004768 15.999 > 49 51 O 0.27231714435511 0.11819972280986 0.89918560189171 15.999 > 51 52 O 0.77231714435511 0.11819972280986 0.89918560189171 15.999 > 51 53 O 0.17167102323168 0.16007015386552 0.65750791144383 15.999 > 53 54 O 0.67167102323168 0.16007015386552 0.65750791144383 15.999 > 53 55 O 0.41115860572475 0.18776406547350 0.09745661899965 15.999 > 55 56 O 0.91115860572475 0.18776406547350 0.09745661899965 15.999 > 55 57 O 0.13388035170643 0.90435682403868 0.54139586895898 15.999 > 57 58 O 0.63388035170642 0.90435682403868 0.54139586895898 15.999 > 57 59 O 0.36611964829358 0.40435682403868 0.95860413104102 15.999 > 59 60 O 0.86611964829358 0.40435682403868 0.95860413104102 15.999 > 59 61 O 0.08884139427525 0.68776406547350 0.40254338100035 15.999 > 61 62 O 0.58884139427525 0.68776406547350 0.40254338100035 15.999 > 61 63 O 0.22768285564489 0.61819972280986 0.60081439810829 15.999 > 63 64 O 0.72768285564489 0.61819972280986 0.60081439810829 15.999 > 63 65 P 0.40038134805371 0.29039657644619 0.48051549219432 30.974 > 65 66 P 0.90038134805371 0.29039657644619 0.48051549219432 30.974 > 65 67 P 0.09961865194629 0.70960342355381 0.51948450780568 30.974 > 67 68 P 0.59961865194629 0.70960342355381 0.51948450780568 30.974 > 67 69 P 0.19950707745496 0.97823978408931 0.66218596047134 30.974 > 69 70 P 0.69950707745496 0.97823978408931 0.66218596047134 30.974 > 69 71 P 0.30049292254504 0.47823978408931 0.83781403952866 30.974 > 71 72 P 0.80049292254504 0.47823978408931 0.83781403952866 30.974 > 71 73 P 0.09961865194629 0.79039657644619 0.01948450780568 30.974 > 73 74 P 0.59961865194629 0.79039657644619 0.01948450780568 30.974 > 73 75 P 0.19950707745496 0.52176021591069 0.16218596047134 30.974 > 75 76 P 0.69950707745496 0.52176021591069 0.16218596047134 30.974 > 75 77 P 0.40038134805371 0.20960342355381 0.98051549219432 30.974 > 77 78 P 0.90038134805371 0.20960342355381 0.98051549219432 30.974 > 77 79 P 0.30049292254504 0.02176021591069 0.33781403952866 30.974 > 79 80 P 0.80049292254504 0.02176021591069 0.33781403952866 30.974 > 79 81 Bi 0.04056927684508 0.30774773405456 0.27635443722293 208.980 > 81 82 Bi 0.54056927684508 0.30774773405456 0.27635443722293 208.980 > 81 83 Bi 0.45943072315492 0.80774773405456 0.22364556277707 208.980 > 83 84 Bi 0.95943072315492 0.80774773405456 0.22364556277707 208.980 > 83 85 Bi 0.04056927684508 0.19225226594544 0.77635443722293 208.980 > 85 86 Bi 0.54056927684508 0.19225226594544 0.77635443722293 208.980 > 85 87 Bi 0.45943072315492 0.69225226594544 0.72364556277707 208.980 > 87 88 Bi 0.95943072315492 0.69225226594544 0.72364556277707 208.980 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.7253135 0.0000000 -0.0268294 0.0000000 3.5176338 0.0000000 -0.0268271 0.0000000 3.6389103 -------------------------- Born effective charges -------------------------- 1 Li 1.1420696 0.0901664 0.0961903 0.0821174 1.2470280 -0.0077196 0.0375282 -0.0120632 1.1934823 2 Li 1.1420696 0.0901664 0.0961903 0.0821174 1.2470280 -0.0077196 0.0375282 -0.0120632 1.1934823 3 Li 1.1420696 -0.0901664 0.0961903 -0.0821174 1.2470280 0.0077196 0.0375282 0.0120632 1.1934823 4 Li 1.1420696 -0.0901664 0.0961903 -0.0821174 1.2470280 0.0077196 0.0375282 0.0120632 1.1934823 5 O -2.8700489 -0.4178319 -0.6640577 -0.4194912 -2.3596286 0.0094558 -0.5783483 0.0050898 -1.0393576 6 O -2.4453974 0.1642926 0.5830213 0.2976142 -1.0483675 -0.0417743 0.7504294 0.0459410 -2.0653871 7 O -2.4777239 0.7245044 0.6237565 0.4656867 -2.0875626 -0.0113463 0.4006469 -0.0366283 -1.3012569 8 O -2.8700489 0.4178319 -0.6640577 0.4194912 -2.3596286 -0.0094558 -0.5783483 -0.0050898 -1.0393576 9 O -2.8700489 0.4178319 -0.6640577 0.4194912 -2.3596286 -0.0094558 -0.5783483 -0.0050898 -1.0393576 10 O -2.4777239 0.7245044 0.6237565 0.4656867 -2.0875626 -0.0113463 0.4006469 -0.0366283 -1.3012569 11 O -2.4453974 0.1642926 0.5830213 0.2976142 -1.0483675 -0.0417743 0.7504294 0.0459410 -2.0653871 12 O -2.1397205 0.3343290 -1.1213741 0.1408701 -1.4074907 0.2265731 -0.9607784 0.1460387 -2.2625800 13 O -1.9478001 -0.4325688 0.4412392 -0.5207513 -2.2374467 0.0902926 0.3650005 0.0737545 -1.3470245 14 O -1.3400232 0.1433929 0.0116420 0.1144254 -1.1211013 0.1702311 0.5974771 0.2489696 -3.4323963 15 O -1.0535866 0.0838854 -0.1226188 0.1667811 -2.0544763 0.7356044 -0.0837272 0.8623437 -1.9829971 16 O -1.0535866 -0.0838854 -0.1226188 -0.1667811 -2.0544763 -0.7356044 -0.0837272 -0.8623437 -1.9829971 17 O -1.3400232 -0.1433929 0.0116420 -0.1144254 -1.1211013 -0.1702311 0.5974771 -0.2489696 -3.4323963 18 O -1.9478001 0.4325688 0.4412392 0.5207513 -2.2374467 -0.0902926 0.3650005 -0.0737545 -1.3470245 19 O -2.1397205 -0.3343290 -1.1213741 -0.1408701 -1.4074907 -0.2265731 -0.9607784 -0.1460387 -2.2625800 20 O -1.9478001 -0.4325688 0.4412392 -0.5207513 -2.2374467 0.0902926 0.3650005 0.0737545 -1.3470245 21 O -2.4777239 -0.7245044 0.6237565 -0.4656867 -2.0875626 0.0113463 0.4006469 0.0366283 -1.3012569 22 O -2.8700489 -0.4178319 -0.6640577 -0.4194912 -2.3596286 0.0094558 -0.5783483 0.0050898 -1.0393576 23 O -2.4453974 -0.1642926 0.5830213 -0.2976142 -1.0483675 0.0417743 0.7504294 -0.0459410 -2.0653871 24 O -2.4777239 -0.7245044 0.6237565 -0.4656867 -2.0875626 0.0113463 0.4006469 0.0366283 -1.3012569 25 O -2.4453974 -0.1642926 0.5830213 -0.2976142 -1.0483675 0.0417743 0.7504294 -0.0459410 -2.0653871 26 O -2.1397205 -0.3343290 -1.1213741 -0.1408701 -1.4074907 -0.2265731 -0.9607784 -0.1460387 -2.2625800 27 O -1.9478001 0.4325688 0.4412392 0.5207513 -2.2374467 -0.0902926 0.3650005 -0.0737545 -1.3470245 28 O -1.3400232 -0.1433929 0.0116420 -0.1144254 -1.1211013 -0.1702311 0.5974771 -0.2489696 -3.4323963 29 O -1.0535866 -0.0838854 -0.1226188 -0.1667811 -2.0544763 -0.7356044 -0.0837272 -0.8623437 -1.9829971 30 O -1.0535866 0.0838854 -0.1226188 0.1667811 -2.0544763 0.7356044 -0.0837272 0.8623437 -1.9829971 31 O -1.3400232 0.1433929 0.0116420 0.1144254 -1.1211013 0.1702311 0.5974771 0.2489696 -3.4323963 32 O -2.1397205 0.3343290 -1.1213741 0.1408701 -1.4074907 0.2265731 -0.9607784 0.1460387 -2.2625800 33 P 3.7856078 -0.2702963 0.4956538 0.1233021 3.1502170 -0.0904175 -0.6823503 0.3221514 4.3421616 34 P 3.7856078 -0.2702963 0.4956538 0.1233021 3.1502170 -0.0904175 -0.6823503 0.3221514 4.3421616 35 P 4.3421884 -0.4738294 -0.0541171 -0.3871242 3.2148300 0.2354054 0.1613833 0.3761373 3.1727125 36 P 4.3421884 0.4738294 -0.0541171 0.3871242 3.2148300 -0.2354054 0.1613833 -0.3761373 3.1727125 37 P 3.7856078 0.2702963 0.4956538 -0.1233021 3.1502170 0.0904175 -0.6823503 -0.3221514 4.3421616 38 P 4.3421884 0.4738294 -0.0541171 0.3871242 3.2148300 -0.2354054 0.1613833 -0.3761373 3.1727125 39 P 3.7856078 0.2702963 0.4956538 -0.1233021 3.1502170 0.0904175 -0.6823503 -0.3221514 4.3421616 40 P 4.3421884 -0.4738294 -0.0541171 -0.3871242 3.2148300 0.2354054 0.1613833 0.3761373 3.1727125 41 Bi 5.0044348 0.0927398 -0.2893353 0.4567941 4.7039988 -0.4559482 -0.0072613 0.3080066 4.7226431 42 Bi 5.0044348 -0.0927398 -0.2893353 -0.4567941 4.7039988 0.4559482 -0.0072613 -0.3080066 4.7226431 43 Bi 5.0044348 -0.0927398 -0.2893353 -0.4567941 4.7039988 0.4559482 -0.0072613 -0.3080066 4.7226431 44 Bi 5.0044348 0.0927398 -0.2893353 0.4567941 4.7039988 -0.4559482 -0.0072613 0.3080066 4.7226431 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (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 ... [ 10 6 4 ] 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: 0.52, Number of G-points: 293, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/88) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 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 1.506 ( 0.000 0.000 0.000) 0.000 1.639 ( 0.000 0.000 0.000) 0.000 1.974 ( 0.000 0.000 0.000) 0.000 2.175 ( 0.000 0.000 0.000) 0.000 2.176 ( 0.000 0.000 0.000) 0.000 2.595 ( 0.000 0.000 0.000) 0.000 2.701 ( 0.000 0.000 0.000) 0.000 2.746 ( 0.000 0.000 0.000) 0.000 2.862 ( 0.000 0.000 0.000) 0.000 2.903 ( 0.000 0.000 0.000) 0.000 3.122 ( 0.000 0.000 0.000) 0.000 3.193 ( 0.000 0.000 0.000) 0.000 3.622 ( 0.000 0.000 0.000) 0.000 3.666 ( 0.000 0.000 0.000) 0.000 3.826 ( 0.000 0.000 0.000) 0.000 3.997 ( 0.000 0.000 0.000) 0.000 4.093 ( 0.000 0.000 0.000) 0.000 4.115 ( 0.000 0.000 0.000) 0.000 4.245 ( 0.000 0.000 0.000) 0.000 4.274 ( 0.000 0.000 0.000) 0.000 4.445 ( 0.000 0.000 0.000) 0.000 4.484 ( 0.000 0.000 0.000) 0.000 4.519 ( 0.000 0.000 0.000) 0.000 4.586 ( 0.000 0.000 0.000) 0.000 4.778 ( 0.000 0.000 0.000) 0.000 4.852 ( 0.000 0.000 0.000) 0.000 5.015 ( 0.000 0.000 0.000) 0.000 5.112 ( 0.000 0.000 0.000) 0.000 5.262 ( 0.000 0.000 0.000) 0.000 5.388 ( 0.000 0.000 0.000) 0.000 5.486 ( 0.000 0.000 0.000) 0.000 5.754 ( 0.000 0.000 0.000) 0.000 5.754 ( 0.000 0.000 0.000) 0.000 5.845 ( 0.000 0.000 0.000) 0.000 6.140 ( 0.000 0.000 0.000) 0.000 6.337 ( 0.000 0.000 0.000) 0.000 6.508 ( 0.000 0.000 0.000) 0.000 6.701 ( 0.000 0.000 0.000) 0.000 6.719 ( 0.000 0.000 0.000) 0.000 7.127 ( 0.000 0.000 0.000) 0.000 7.263 ( 0.000 0.000 0.000) 0.000 7.325 ( 0.000 0.000 0.000) 0.000 7.484 ( 0.000 0.000 0.000) 0.000 7.775 ( 0.000 0.000 0.000) 0.000 7.935 ( 0.000 0.000 0.000) 0.000 7.980 ( 0.000 0.000 0.000) 0.000 8.286 ( 0.000 0.000 0.000) 0.000 8.604 ( 0.000 0.000 0.000) 0.000 9.075 ( 0.000 0.000 0.000) 0.000 9.265 ( 0.000 0.000 0.000) 0.000 9.395 ( 0.000 0.000 0.000) 0.000 9.438 ( 0.000 0.000 0.000) 0.000 9.531 ( 0.000 0.000 0.000) 0.000 9.557 ( 0.000 0.000 0.000) 0.000 9.578 ( 0.000 0.000 0.000) 0.000 9.635 ( 0.000 0.000 0.000) 0.000 9.952 ( 0.000 0.000 0.000) 0.000 9.993 ( 0.000 0.000 0.000) 0.000 10.172 ( 0.000 0.000 0.000) 0.000 10.495 ( 0.000 0.000 0.000) 0.000 10.532 ( 0.000 0.000 0.000) 0.000 10.856 ( 0.000 0.000 0.000) 0.000 10.868 ( 0.000 0.000 0.000) 0.000 10.889 ( 0.000 0.000 0.000) 0.000 10.905 ( 0.000 0.000 0.000) 0.000 11.122 ( 0.000 0.000 0.000) 0.000 11.201 ( 0.000 0.000 0.000) 0.000 11.270 ( 0.000 0.000 0.000) 0.000 11.545 ( 0.000 0.000 0.000) 0.000 12.291 ( 0.000 0.000 0.000) 0.000 12.407 ( 0.000 0.000 0.000) 0.000 12.673 ( 0.000 0.000 0.000) 0.000 12.832 ( 0.000 0.000 0.000) 0.000 13.745 ( 0.000 0.000 0.000) 0.000 13.940 ( 0.000 0.000 0.000) 0.000 14.004 ( 0.000 0.000 0.000) 0.000 14.182 ( 0.000 0.000 0.000) 0.000 14.871 ( 0.000 0.000 0.000) 0.000 14.966 ( 0.000 0.000 0.000) 0.000 14.980 ( 0.000 0.000 0.000) 0.000 15.042 ( 0.000 0.000 0.000) 0.000 15.158 ( 0.000 0.000 0.000) 0.000 15.263 ( 0.000 0.000 0.000) 0.000 15.337 ( 0.000 0.000 0.000) 0.000 15.427 ( 0.000 0.000 0.000) 0.000 15.592 ( 0.000 0.000 0.000) 0.000 15.620 ( 0.000 0.000 0.000) 0.000 15.624 ( 0.000 0.000 0.000) 0.000 16.218 ( 0.000 0.000 0.000) 0.000 16.259 ( 0.000 0.000 0.000) 0.000 16.313 ( 0.000 0.000 0.000) 0.000 16.674 ( 0.000 0.000 0.000) 0.000 17.008 ( 0.000 0.000 0.000) 0.000 17.499 ( 0.000 0.000 0.000) 0.000 17.606 ( 0.000 0.000 0.000) 0.000 17.940 ( 0.000 0.000 0.000) 0.000 17.964 ( 0.000 0.000 0.000) 0.000 21.639 ( 0.000 0.000 0.000) 0.000 21.733 ( 0.000 0.000 0.000) 0.000 22.488 ( 0.000 0.000 0.000) 0.000 22.612 ( 0.000 0.000 0.000) 0.000 26.838 ( 0.000 0.000 0.000) 0.000 26.845 ( 0.000 0.000 0.000) 0.000 26.873 ( 0.000 0.000 0.000) 0.000 26.981 ( 0.000 0.000 0.000) 0.000 28.477 ( 0.000 0.000 0.000) 0.000 28.487 ( 0.000 0.000 0.000) 0.000 28.555 ( 0.000 0.000 0.000) 0.000 28.673 ( 0.000 0.000 0.000) 0.000 29.312 ( 0.000 0.000 0.000) 0.000 29.705 ( 0.000 0.000 0.000) 0.000 29.737 ( 0.000 0.000 0.000) 0.000 29.998 ( 0.000 0.000 0.000) 0.000 30.542 ( 0.000 0.000 0.000) 0.000 30.601 ( 0.000 0.000 0.000) 0.000 30.607 ( 0.000 0.000 0.000) 0.000 30.671 ( 0.000 0.000 0.000) 0.000 30.761 ( 0.000 0.000 0.000) 0.000 31.037 ( 0.000 0.000 0.000) 0.000 31.109 ( 0.000 0.000 0.000) 0.000 31.113 ( 0.000 0.000 0.000) 0.000 32.086 ( 0.000 0.000 0.000) 0.000 32.199 ( 0.000 0.000 0.000) 0.000 32.429 ( 0.000 0.000 0.000) 0.000 32.922 ( 0.000 0.000 0.000) 0.000 33.011 ( 0.000 0.000 0.000) 0.000 34.025 ( 0.000 0.000 0.000) 0.000 34.176 ( 0.000 0.000 0.000) 0.000 34.796 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/88) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.393 ( 15.663 0.000 13.272) 20.529 0.642 ( 27.868 0.000 10.898) 29.922 0.850 ( 39.023 0.000 0.878) 39.033 1.609 ( 12.097 0.000 -3.904) 12.711 1.851 ( 16.341 0.000 2.827) 16.584 1.987 ( 0.357 0.000 2.311) 2.339 2.249 ( 6.941 0.000 1.038) 7.019 2.276 ( 8.741 0.000 -0.152) 8.742 2.531 ( -3.619 0.000 -5.126) 6.275 2.679 ( -1.457 0.000 -2.764) 3.125 2.781 ( 3.421 0.000 -0.305) 3.435 2.869 ( -5.793 0.000 11.327) 12.722 2.877 ( -0.561 0.000 -4.486) 4.521 3.144 ( -5.412 0.000 1.177) 5.539 3.228 ( 1.695 0.000 3.405) 3.804 3.662 ( 6.159 0.000 -4.574) 7.671 3.784 ( 10.328 0.000 2.948) 10.741 3.909 ( 5.314 0.000 -0.521) 5.340 4.074 ( 1.211 0.000 -6.275) 6.391 4.124 ( 0.272 0.000 -2.611) 2.626 4.150 ( 13.650 0.000 4.201) 14.281 4.251 ( -4.517 0.000 2.877) 5.355 4.408 ( 1.762 0.000 4.694) 5.013 4.519 ( 10.273 0.000 2.003) 10.467 4.535 ( -6.495 0.000 -6.991) 9.542 4.671 ( 10.357 0.000 -0.342) 10.363 4.807 ( 11.057 0.000 -5.822) 12.496 4.909 ( 4.958 0.000 -1.354) 5.139 5.101 ( 3.321 0.000 3.006) 4.479 5.162 ( -2.108 0.000 -6.285) 6.629 5.166 ( 1.949 0.000 7.471) 7.721 5.422 ( 1.311 0.000 3.220) 3.476 5.481 ( -0.903 0.000 0.235) 0.933 5.643 ( 15.475 0.000 0.365) 15.479 5.749 ( -3.649 0.000 -1.921) 4.123 5.861 ( 4.823 0.000 4.266) 6.439 6.120 ( 16.627 0.000 -21.426) 27.121 6.211 ( -7.268 0.000 -2.324) 7.630 6.412 ( -7.987 0.000 6.222) 10.124 6.562 ( 0.682 0.000 2.508) 2.599 6.674 ( -11.557 0.000 2.361) 11.796 6.836 ( 8.184 0.000 3.538) 8.916 7.229 ( -2.083 0.000 0.817) 2.237 7.246 ( 5.521 0.000 1.954) 5.857 7.349 ( 3.702 0.000 -3.970) 5.428 7.555 ( 1.895 0.000 7.783) 8.011 7.747 ( -1.105 0.000 -4.269) 4.409 7.847 ( -4.689 0.000 -6.577) 8.077 8.017 ( -2.890 0.000 10.474) 10.866 8.531 ( -13.678 0.000 27.612) 30.814 8.536 ( -6.549 0.000 -5.120) 8.313 8.879 ( -15.513 0.000 -7.681) 17.310 9.192 ( -4.141 0.000 3.384) 5.348 9.413 ( -2.353 0.000 -0.616) 2.432 9.465 ( 1.604 0.000 3.184) 3.565 9.521 ( -5.328 0.000 -0.317) 5.337 9.542 ( 2.519 0.000 -1.787) 3.089 9.616 ( 1.809 0.000 6.459) 6.707 9.650 ( 1.147 0.000 0.978) 1.507 9.916 ( -1.304 0.000 -4.365) 4.555 9.993 ( -0.395 0.000 -0.016) 0.395 10.244 ( 2.956 0.000 3.625) 4.677 10.522 ( -0.683 0.000 -0.412) 0.798 10.714 ( -6.903 0.000 -5.893) 9.076 10.773 ( -1.023 0.000 0.113) 1.029 10.828 ( -2.312 0.000 -0.776) 2.439 10.911 ( -0.035 0.000 2.074) 2.074 11.053 ( 2.317 0.000 -5.120) 5.620 11.158 ( -7.590 0.000 -2.290) 7.928 11.222 ( 1.160 0.000 1.064) 1.574 11.260 ( 5.154 0.000 1.078) 5.265 11.668 ( -0.471 0.000 -9.815) 9.826 12.376 ( 6.614 0.000 1.243) 6.730 12.514 ( 3.032 0.000 -11.727) 12.113 12.725 ( 3.797 0.000 -0.246) 3.805 12.804 ( -2.577 0.000 -0.528) 2.630 13.733 ( -2.642 0.000 1.482) 3.029 13.882 ( -5.215 0.000 -0.985) 5.307 13.983 ( -2.471 0.000 0.480) 2.517 14.157 ( -1.366 0.000 -2.416) 2.776 14.827 ( -5.839 0.000 -1.252) 5.972 14.896 ( -0.389 0.000 7.556) 7.566 15.110 ( -0.182 0.000 2.718) 2.724 15.113 ( -3.101 0.000 4.481) 5.450 15.244 ( -0.089 0.000 -3.953) 3.954 15.328 ( 11.938 0.000 3.999) 12.590 15.426 ( 0.586 0.000 -1.984) 2.069 15.503 ( 0.701 0.000 8.260) 8.289 15.584 ( -0.635 0.000 -0.191) 0.663 15.599 ( -1.121 0.000 -1.301) 1.717 15.721 ( -0.630 0.000 13.447) 13.462 16.203 ( -1.948 0.000 -5.717) 6.039 16.290 ( 4.023 0.000 2.721) 4.857 16.608 ( -1.585 0.000 -4.671) 4.932 16.809 ( 7.944 0.000 -8.483) 11.622 16.960 ( -3.538 0.000 -1.689) 3.920 17.502 ( 0.408 0.000 -0.328) 0.523 17.603 ( 0.232 0.000 -0.578) 0.623 17.933 ( -2.969 0.000 -0.648) 3.039 17.937 ( -1.156 0.000 1.820) 2.156 21.658 ( 1.892 0.000 0.321) 1.919 21.747 ( 1.548 0.000 -0.022) 1.548 22.462 ( -2.696 0.000 0.307) 2.713 22.593 ( -1.854 0.000 -0.513) 1.924 26.822 ( -1.584 0.000 -0.062) 1.585 26.863 ( -0.872 0.000 -0.055) 0.873 26.964 ( -2.049 0.000 0.371) 2.083 26.993 ( -8.628 0.000 14.282) 16.686 28.468 ( -0.870 0.000 -1.895) 2.085 28.492 ( 0.926 0.000 1.423) 1.698 28.556 ( -0.331 0.000 -0.196) 0.385 28.653 ( -1.334 0.000 -0.903) 1.611 29.414 ( -10.585 0.000 -4.685) 11.576 29.783 ( -7.876 0.000 7.708) 11.020 29.987 ( -1.769 0.000 3.234) 3.686 30.056 ( 13.555 0.000 2.589) 13.800 30.624 ( 4.220 0.000 -2.448) 4.879 30.629 ( 3.989 0.000 -0.091) 3.991 30.684 ( 8.587 0.000 5.626) 10.265 30.744 ( 5.510 0.000 -0.204) 5.513 31.039 ( 0.275 0.000 -1.163) 1.195 31.103 ( 0.446 0.000 -1.093) 1.180 31.143 ( 4.592 0.000 -1.059) 4.713 32.074 ( -2.430 0.000 4.568) 5.174 32.211 ( 7.753 0.000 -14.181) 16.162 32.454 ( 3.137 0.000 -1.367) 3.421 32.926 ( -0.582 0.000 2.484) 2.551 33.019 ( 0.596 0.000 0.198) 0.628 33.970 ( -4.474 0.000 0.972) 4.578 34.111 ( -5.943 0.000 -1.358) 6.096 34.222 ( 9.333 0.000 -19.639) 21.744 34.745 ( -6.174 0.000 3.897) 7.301 ======================= Grid point 2 (3/88) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( 20.132 0.000 8.690) 21.927 1.232 ( 24.154 0.000 9.279) 25.875 1.411 ( 19.662 0.000 -2.813) 19.862 1.873 ( 14.086 0.000 -5.153) 14.999 2.049 ( 5.364 0.000 6.015) 8.059 2.129 ( 7.413 0.000 3.080) 8.027 2.280 ( -6.238 0.000 -9.578) 11.430 2.432 ( 8.073 0.000 4.030) 9.023 2.443 ( -1.808 0.000 -7.960) 8.163 2.679 ( -0.388 0.000 -0.560) 0.681 2.803 ( -3.667 0.000 3.924) 5.371 2.853 ( 7.777 0.000 -5.181) 9.345 2.900 ( 2.562 0.000 6.844) 7.308 3.046 ( -4.366 0.000 3.157) 5.388 3.293 ( 2.866 0.000 3.983) 4.907 3.775 ( 6.480 0.000 -2.637) 6.996 3.811 ( -6.437 0.000 -11.780) 13.424 3.999 ( 7.869 0.000 0.131) 7.871 4.055 ( -4.935 0.000 3.110) 5.833 4.231 ( 1.899 0.000 -3.438) 3.928 4.241 ( 13.101 0.000 3.560) 13.576 4.404 ( 1.486 0.000 -1.589) 2.176 4.549 ( 18.547 0.000 8.780) 20.520 4.580 ( 8.187 0.000 6.225) 10.284 4.815 ( 15.589 0.000 2.446) 15.779 4.909 ( 7.622 0.000 -7.759) 10.876 4.964 ( 9.651 0.000 -7.935) 12.494 5.001 ( 9.603 0.000 -4.121) 10.450 5.094 ( 13.810 0.000 -0.436) 13.817 5.277 ( 5.669 0.000 4.281) 7.103 5.278 ( 2.699 0.000 -0.495) 2.744 5.465 ( 0.436 0.000 3.744) 3.770 5.522 ( 6.428 0.000 0.257) 6.434 5.691 ( 1.391 0.000 3.237) 3.523 5.911 ( 10.228 0.000 0.384) 10.235 6.019 ( 4.035 0.000 3.080) 5.076 6.108 ( 1.312 0.000 1.618) 2.083 6.345 ( 11.492 0.000 -5.504) 12.742 6.367 ( 4.924 0.000 1.605) 5.179 6.549 ( -4.610 0.000 2.377) 5.187 6.554 ( 0.337 0.000 2.154) 2.180 6.934 ( -0.947 0.000 4.884) 4.975 7.125 ( -2.986 0.000 -16.835) 17.098 7.289 ( -2.988 0.000 0.719) 3.073 7.510 ( 11.458 0.000 6.720) 13.283 7.585 ( -5.757 0.000 5.448) 7.926 7.695 ( -0.275 0.000 -2.046) 2.064 7.715 ( -3.332 0.000 -4.734) 5.789 8.030 ( -3.184 0.000 4.806) 5.765 8.218 ( -16.512 0.000 -16.099) 23.062 8.481 ( -9.679 0.000 13.848) 16.896 8.495 ( -18.872 0.000 0.403) 18.877 9.146 ( -3.046 0.000 0.867) 3.167 9.322 ( -5.647 0.000 -3.735) 6.770 9.418 ( -4.009 0.000 0.919) 4.113 9.512 ( 0.757 0.000 4.686) 4.747 9.592 ( 3.906 0.000 -3.687) 5.371 9.665 ( -2.648 0.000 4.490) 5.213 9.693 ( 2.615 0.000 0.180) 2.621 9.856 ( -0.967 0.000 -3.167) 3.312 9.974 ( -0.424 0.000 -0.793) 0.900 10.320 ( 1.041 0.000 1.910) 2.176 10.504 ( 0.309 0.000 -3.278) 3.293 10.518 ( -6.630 0.000 -2.285) 7.013 10.769 ( -0.310 0.000 -1.914) 1.939 10.784 ( -4.151 0.000 5.544) 6.926 10.907 ( -1.941 0.000 1.179) 2.271 11.015 ( -3.913 0.000 -1.768) 4.294 11.083 ( 2.971 0.000 -1.697) 3.421 11.284 ( 2.843 0.000 3.806) 4.750 11.311 ( -0.630 0.000 0.973) 1.159 11.555 ( -5.755 0.000 -2.263) 6.184 12.508 ( 3.324 0.000 -4.186) 5.345 12.509 ( 5.724 0.000 0.470) 5.744 12.733 ( -4.121 0.000 -0.264) 4.130 12.782 ( 2.429 0.000 -1.029) 2.638 13.683 ( -3.379 0.000 1.192) 3.583 13.745 ( -7.225 0.000 -1.672) 7.416 13.924 ( -3.511 0.000 0.158) 3.514 14.099 ( -1.929 0.000 -3.632) 4.112 14.778 ( -0.387 0.000 3.832) 3.852 14.981 ( 0.789 0.000 11.543) 11.570 15.064 ( -1.099 0.000 -5.703) 5.808 15.127 ( -0.326 0.000 3.220) 3.236 15.202 ( 0.091 0.000 -5.641) 5.642 15.386 ( -2.008 0.000 -3.574) 4.100 15.538 ( 1.782 0.000 0.255) 1.800 15.548 ( -1.638 0.000 -0.110) 1.642 15.611 ( 3.618 0.000 2.061) 4.164 15.611 ( 7.878 0.000 0.692) 7.908 15.847 ( 1.896 0.000 12.406) 12.550 16.076 ( -2.788 0.000 -11.877) 12.200 16.405 ( 3.828 0.000 4.874) 6.198 16.570 ( 0.371 0.000 -1.134) 1.194 16.877 ( 4.011 0.000 -3.539) 5.349 16.881 ( -2.838 0.000 -0.927) 2.985 17.507 ( 0.385 0.000 -0.521) 0.648 17.620 ( 1.812 0.000 0.242) 1.829 17.851 ( -4.442 0.000 -0.969) 4.547 17.919 ( -2.449 0.000 1.949) 3.130 21.717 ( 3.739 0.000 0.732) 3.810 21.792 ( 3.045 0.000 -0.052) 3.045 22.397 ( -4.210 0.000 0.792) 4.284 22.530 ( -4.052 0.000 -1.173) 4.219 26.781 ( -2.519 0.000 -0.059) 2.520 26.844 ( -0.774 0.000 -0.611) 0.986 26.909 ( -3.653 0.000 0.219) 3.660 26.932 ( -5.169 0.000 4.170) 6.641 28.437 ( -0.556 0.000 -1.538) 1.635 28.520 ( 0.341 0.000 0.797) 0.867 28.542 ( -1.015 0.000 0.252) 1.046 28.630 ( -0.355 0.000 0.628) 0.721 29.257 ( -2.414 0.000 -2.425) 3.422 29.657 ( -6.427 0.000 -3.513) 7.324 30.005 ( -0.739 0.000 6.800) 6.840 30.229 ( 2.695 0.000 -0.119) 2.698 30.691 ( 4.480 0.000 -4.595) 6.417 30.697 ( 2.859 0.000 1.240) 3.116 30.810 ( 0.808 0.000 -0.003) 0.808 30.878 ( 2.239 0.000 4.248) 4.802 31.108 ( 8.251 0.000 1.408) 8.370 31.191 ( 12.798 0.000 -0.674) 12.815 31.232 ( 5.979 0.000 -6.543) 8.863 32.086 ( -2.125 0.000 9.114) 9.358 32.240 ( 5.313 0.000 -9.741) 11.096 32.524 ( 5.514 0.000 -2.430) 6.026 32.941 ( -0.633 0.000 4.275) 4.322 33.032 ( 0.917 0.000 -0.398) 0.999 33.857 ( -7.089 0.000 -1.074) 7.170 33.943 ( -9.888 0.000 -0.891) 9.928 34.242 ( 5.064 0.000 -9.897) 11.117 34.670 ( -5.524 0.000 8.223) 9.906 ======================= Grid point 3 (4/88) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( 21.338 0.000 5.853) 22.126 1.672 ( 12.343 0.000 -3.043) 12.713 1.692 ( 16.385 0.000 5.460) 17.270 1.951 ( 1.608 0.000 -2.583) 3.042 2.041 ( -8.104 0.000 -9.808) 12.724 2.147 ( -4.289 0.000 -4.163) 5.977 2.282 ( 9.152 0.000 5.008) 10.433 2.370 ( 0.076 0.000 -4.553) 4.553 2.496 ( -5.610 0.000 4.619) 7.267 2.512 ( -9.103 0.000 -5.207) 10.487 2.761 ( -2.514 0.000 -1.042) 2.721 2.968 ( 1.109 0.000 5.117) 5.236 3.065 ( 7.427 0.000 8.901) 11.593 3.164 ( 11.420 0.000 1.258) 11.489 3.402 ( 1.462 0.000 5.150) 5.354 3.554 ( -8.589 0.000 -13.616) 16.099 3.816 ( 0.689 0.000 3.644) 3.709 4.137 ( 10.636 0.000 0.160) 10.637 4.142 ( 8.476 0.000 -0.652) 8.501 4.241 ( 4.926 0.000 -3.802) 6.223 4.321 ( -6.249 0.000 -7.290) 9.602 4.533 ( 7.866 0.000 0.674) 7.895 4.784 ( 6.029 0.000 5.974) 8.487 4.831 ( 8.680 0.000 -0.162) 8.682 4.982 ( 6.731 0.000 4.665) 8.190 5.058 ( 4.331 0.000 -1.464) 4.571 5.211 ( 5.644 0.000 -8.457) 10.167 5.220 ( 18.719 0.000 5.883) 19.621 5.266 ( 6.970 0.000 -1.122) 7.059 5.351 ( 11.784 0.000 0.885) 11.817 5.523 ( 4.232 0.000 4.109) 5.899 5.569 ( 17.554 0.000 2.573) 17.741 5.621 ( 7.746 0.000 -3.283) 8.413 5.912 ( 8.522 0.000 8.322) 11.911 6.082 ( 10.848 0.000 -2.585) 11.152 6.096 ( 6.259 0.000 3.937) 7.394 6.291 ( 11.169 0.000 1.399) 11.257 6.396 ( 0.073 0.000 -3.079) 3.080 6.400 ( -10.266 0.000 -1.370) 10.357 6.527 ( 10.519 0.000 1.153) 10.582 6.797 ( 13.288 0.000 7.171) 15.100 6.878 ( -1.240 0.000 -11.734) 11.799 6.991 ( -2.270 0.000 2.153) 3.128 7.144 ( -9.620 0.000 -3.504) 10.239 7.470 ( -10.442 0.000 6.397) 12.246 7.618 ( -2.697 0.000 -2.329) 3.564 7.673 ( -1.057 0.000 -1.577) 1.899 7.758 ( -12.459 0.000 -6.638) 14.117 7.807 ( 6.232 0.000 0.513) 6.253 7.960 ( -6.230 0.000 0.946) 6.302 8.167 ( -14.277 0.000 -0.777) 14.298 8.340 ( -13.459 0.000 4.521) 14.198 9.093 ( -2.071 0.000 -0.731) 2.197 9.196 ( -2.952 0.000 -3.219) 4.367 9.373 ( -2.436 0.000 1.745) 2.996 9.515 ( -6.335 0.000 -5.241) 8.222 9.587 ( 0.027 0.000 6.184) 6.184 9.660 ( 1.565 0.000 -0.006) 1.565 9.749 ( 4.718 0.000 -3.281) 5.747 9.858 ( 1.603 0.000 2.594) 3.050 9.991 ( 2.622 0.000 -0.910) 2.775 10.274 ( -3.361 0.000 -3.006) 4.509 10.461 ( -1.505 0.000 0.560) 1.605 10.477 ( 1.147 0.000 -6.587) 6.686 10.718 ( -2.678 0.000 -1.794) 3.223 10.751 ( -5.743 0.000 9.054) 10.722 10.884 ( -0.793 0.000 1.507) 1.703 10.976 ( 0.334 0.000 -1.092) 1.142 11.126 ( 2.609 0.000 -1.215) 2.878 11.281 ( -2.125 0.000 -0.115) 2.128 11.376 ( 1.966 0.000 6.248) 6.550 11.417 ( -7.248 0.000 -0.367) 7.257 12.566 ( 3.880 0.000 0.384) 3.899 12.575 ( 0.913 0.000 -3.473) 3.590 12.670 ( -1.844 0.000 3.137) 3.639 12.799 ( 0.532 0.000 -1.833) 1.908 13.598 ( -6.131 0.000 -2.014) 6.453 13.631 ( -2.823 0.000 1.142) 3.045 13.872 ( -1.792 0.000 0.838) 1.979 14.027 ( -2.364 0.000 -3.663) 4.359 14.861 ( 3.295 0.000 8.242) 8.876 14.992 ( -0.725 0.000 -6.658) 6.698 15.081 ( -0.305 0.000 7.529) 7.535 15.146 ( -0.382 0.000 2.368) 2.399 15.188 ( 2.250 0.000 0.380) 2.282 15.287 ( -3.440 0.000 -5.947) 6.870 15.502 ( -1.724 0.000 -2.243) 2.829 15.521 ( -1.250 0.000 -2.337) 2.651 15.703 ( 4.662 0.000 0.009) 4.662 15.759 ( 5.392 0.000 -0.552) 5.420 15.941 ( -1.297 0.000 -9.634) 9.721 15.959 ( -0.661 0.000 10.337) 10.358 16.514 ( 4.193 0.000 3.495) 5.458 16.608 ( 3.628 0.000 0.613) 3.679 16.836 ( -1.909 0.000 -0.080) 1.910 16.904 ( 1.393 0.000 -2.680) 3.021 17.510 ( 0.391 0.000 -0.374) 0.541 17.670 ( 2.537 0.000 0.910) 2.695 17.758 ( -4.149 0.000 -0.896) 4.244 17.871 ( -3.698 0.000 1.034) 3.840 21.813 ( 5.429 0.000 0.932) 5.509 21.855 ( 3.551 0.000 -0.745) 3.628 22.326 ( -4.039 0.000 1.797) 4.421 22.419 ( -6.099 0.000 -1.686) 6.327 26.729 ( -2.615 0.000 0.000) 2.615 26.810 ( -2.154 0.000 -1.817) 2.818 26.856 ( -1.559 0.000 1.014) 1.860 26.873 ( -2.967 0.000 1.008) 3.133 28.426 ( 0.303 0.000 -0.447) 0.540 28.518 ( -0.203 0.000 -0.318) 0.377 28.525 ( -0.963 0.000 0.269) 1.000 28.633 ( -0.929 0.000 0.938) 1.320 29.282 ( 4.604 0.000 2.656) 5.315 29.502 ( -5.383 0.000 -5.250) 7.519 30.055 ( -0.163 0.000 6.566) 6.568 30.162 ( -6.863 0.000 -4.324) 8.111 30.735 ( 3.648 0.000 -1.540) 3.960 30.756 ( 2.246 0.000 0.825) 2.392 30.815 ( -0.253 0.000 0.656) 0.703 30.866 ( -3.064 0.000 0.908) 3.196 31.213 ( 1.542 0.000 -13.578) 13.666 31.320 ( 8.874 0.000 3.176) 9.425 31.518 ( 17.913 0.000 0.167) 17.913 32.127 ( -3.171 0.000 11.279) 11.717 32.264 ( 4.733 0.000 -6.942) 8.402 32.610 ( 5.005 0.000 -2.616) 5.647 32.979 ( 0.679 0.000 5.488) 5.530 33.059 ( 3.199 0.000 -1.618) 3.585 33.685 ( -8.879 0.000 -3.052) 9.389 33.738 ( -11.118 0.000 1.041) 11.166 34.251 ( 2.915 0.000 -6.791) 7.390 34.685 ( -1.091 0.000 10.096) 10.155 ======================= Grid point 4 (5/88) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( 14.007 0.000 3.714) 14.491 1.847 ( -4.545 0.000 -5.328) 7.003 1.853 ( 6.316 0.000 0.045) 6.316 1.921 ( 3.806 0.000 -1.026) 3.942 1.977 ( 4.872 0.000 -2.477) 5.465 2.029 ( -1.318 0.000 -3.462) 3.705 2.256 ( -5.618 0.000 -4.991) 7.514 2.373 ( -7.575 0.000 4.655) 8.891 2.383 ( -2.859 0.000 -0.613) 2.924 2.450 ( 4.041 0.000 1.116) 4.192 2.687 ( -2.472 0.000 -2.731) 3.684 3.094 ( 5.878 0.000 8.119) 10.023 3.262 ( 5.912 0.000 2.845) 6.562 3.293 ( -3.839 0.000 -9.064) 9.843 3.349 ( 3.892 0.000 0.380) 3.910 3.364 ( -8.005 0.000 7.584) 11.027 3.936 ( 6.768 0.000 4.956) 8.389 3.986 ( -14.254 0.000 -13.017) 19.303 4.318 ( 6.359 0.000 -3.528) 7.272 4.347 ( 9.417 0.000 0.921) 9.462 4.389 ( 10.502 0.000 -0.742) 10.528 4.634 ( 0.186 0.000 2.579) 2.586 4.837 ( 0.240 0.000 -2.328) 2.341 4.946 ( 0.383 0.000 2.735) 2.762 5.067 ( 5.099 0.000 -1.804) 5.409 5.150 ( 4.333 0.000 1.188) 4.493 5.264 ( 3.528 0.000 -3.399) 4.899 5.457 ( 10.384 0.000 5.979) 11.982 5.460 ( 4.868 0.000 0.235) 4.874 5.609 ( 1.907 0.000 3.733) 4.192 5.616 ( 7.544 0.000 6.285) 9.819 5.821 ( 11.200 0.000 -0.812) 11.229 5.955 ( 17.879 0.000 3.125) 18.150 5.973 ( -3.888 0.000 -0.455) 3.915 6.100 ( -2.331 0.000 -4.255) 4.852 6.302 ( 10.699 0.000 -0.486) 10.710 6.353 ( -0.394 0.000 -6.638) 6.650 6.418 ( 9.419 0.000 5.240) 10.778 6.533 ( 11.719 0.000 -0.508) 11.730 6.663 ( 1.475 0.000 -4.451) 4.688 6.834 ( 3.191 0.000 -4.854) 5.809 6.934 ( -7.266 0.000 2.590) 7.714 6.956 ( -3.256 0.000 -2.543) 4.131 7.076 ( 6.846 0.000 11.998) 13.814 7.295 ( -11.276 0.000 3.984) 11.959 7.484 ( -6.399 0.000 -4.010) 7.552 7.556 ( -2.977 0.000 0.216) 2.985 7.637 ( -1.078 0.000 -1.132) 1.563 7.831 ( -6.228 0.000 0.148) 6.230 7.833 ( -6.420 0.000 -1.153) 6.523 8.066 ( -13.098 0.000 -4.760) 13.936 8.071 ( 3.166 0.000 1.916) 3.701 9.069 ( 0.138 0.000 -0.320) 0.349 9.160 ( 0.122 0.000 -0.645) 0.657 9.323 ( -7.437 0.000 -3.949) 8.421 9.346 ( -1.538 0.000 1.155) 1.923 9.639 ( 0.361 0.000 3.457) 3.476 9.688 ( 1.257 0.000 0.092) 1.260 9.833 ( 5.652 0.000 -1.480) 5.843 9.939 ( 3.232 0.000 4.219) 5.315 10.036 ( 2.539 0.000 -1.406) 2.902 10.198 ( -1.197 0.000 -4.559) 4.714 10.380 ( -6.323 0.000 -0.424) 6.337 10.447 ( 0.876 0.000 -5.281) 5.353 10.683 ( -0.126 0.000 -0.068) 0.143 10.715 ( -4.208 0.000 6.387) 7.648 10.887 ( 0.023 0.000 0.075) 0.079 10.996 ( 1.349 0.000 0.800) 1.568 11.159 ( 2.009 0.000 -1.960) 2.806 11.236 ( -1.838 0.000 -1.427) 2.327 11.289 ( -5.763 0.000 1.729) 6.017 11.449 ( 0.850 0.000 4.661) 4.738 12.515 ( -2.400 0.000 -2.834) 3.714 12.649 ( 3.284 0.000 2.170) 3.936 12.700 ( 0.882 0.000 2.331) 2.492 12.776 ( -1.043 0.000 -2.243) 2.474 13.487 ( -3.576 0.000 -1.442) 3.856 13.599 ( -1.342 0.000 0.880) 1.605 13.870 ( 0.191 0.000 1.376) 1.389 13.955 ( -2.128 0.000 -2.598) 3.359 14.938 ( -0.078 0.000 -4.231) 4.232 15.005 ( 3.390 0.000 7.003) 7.780 15.091 ( -0.430 0.000 0.189) 0.470 15.141 ( -1.067 0.000 2.498) 2.717 15.209 ( 0.146 0.000 -3.505) 3.508 15.284 ( 1.963 0.000 8.914) 9.128 15.444 ( -3.244 0.000 -5.849) 6.688 15.448 ( -0.813 0.000 -5.115) 5.180 15.792 ( 5.264 0.000 -1.500) 5.474 15.810 ( 1.562 0.000 -2.126) 2.638 15.882 ( 0.134 0.000 -2.646) 2.650 15.978 ( -4.402 0.000 6.701) 8.018 16.620 ( 4.066 0.000 1.823) 4.456 16.706 ( 5.071 0.000 1.766) 5.370 16.798 ( -1.739 0.000 -0.253) 1.757 16.884 ( -1.198 0.000 -2.680) 2.936 17.520 ( 0.814 0.000 0.163) 0.830 17.683 ( -2.868 0.000 -0.666) 2.944 17.719 ( 1.736 0.000 0.624) 1.845 17.804 ( -3.351 0.000 0.269) 3.362 21.907 ( 2.457 0.000 -1.272) 2.767 21.937 ( 6.396 0.000 1.044) 6.480 22.276 ( -6.968 0.000 -1.668) 7.165 22.278 ( -2.488 0.000 2.059) 3.230 26.686 ( -1.681 0.000 0.013) 1.681 26.757 ( -1.657 0.000 -0.919) 1.895 26.837 ( -1.259 0.000 0.111) 1.264 26.849 ( -0.200 0.000 0.474) 0.514 28.439 ( 0.836 0.000 0.298) 0.888 28.509 ( -0.748 0.000 0.027) 0.748 28.517 ( 0.187 0.000 0.240) 0.304 28.605 ( -1.597 0.000 -0.590) 1.703 29.382 ( -3.118 0.000 -3.374) 4.595 29.449 ( 7.866 0.000 6.290) 10.071 29.948 ( -9.503 0.000 -6.411) 11.463 30.096 ( -0.172 0.000 3.919) 3.923 30.795 ( 1.016 0.000 0.676) 1.220 30.801 ( 2.250 0.000 -1.365) 2.632 30.817 ( -1.831 0.000 -0.284) 1.853 30.819 ( 0.521 0.000 4.639) 4.668 31.086 ( -2.410 0.000 -12.298) 12.532 31.480 ( 5.341 0.000 1.143) 5.462 31.821 ( 13.547 0.000 -1.696) 13.653 32.116 ( -5.346 0.000 5.873) 7.942 32.320 ( 3.574 0.000 -0.355) 3.592 32.659 ( 1.897 0.000 -1.595) 2.479 33.071 ( 4.041 0.000 6.774) 7.888 33.139 ( 6.545 0.000 -2.610) 7.046 33.472 ( -9.376 0.000 -5.463) 10.852 33.544 ( -10.093 0.000 2.417) 10.379 34.246 ( 1.293 0.000 -3.857) 4.068 34.761 ( 0.893 0.000 6.751) 6.810 ======================= Grid point 5 (6/88) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( 0.000 0.000 0.000) 0.000 1.845 ( 0.000 0.000 0.000) 0.000 1.899 ( 0.000 0.000 -0.000) 0.000 1.903 ( 0.000 0.000 0.000) 0.000 2.036 ( 0.000 0.000 0.000) 0.000 2.061 ( 0.000 0.000 0.000) 0.000 2.177 ( 0.000 0.000 0.000) 0.000 2.294 ( 0.000 0.000 -0.000) 0.000 2.349 ( 0.000 0.000 0.000) 0.000 2.497 ( 0.000 0.000 0.000) 0.000 2.653 ( 0.000 0.000 0.000) 0.000 3.171 ( 0.000 0.000 0.000) 0.000 3.249 ( -0.000 0.000 0.000) 0.000 3.263 ( 0.000 0.000 -0.000) 0.000 3.367 ( 0.000 0.000 0.000) 0.000 3.446 ( 0.000 0.000 0.000) 0.000 3.705 ( 0.000 0.000 -0.000) 0.000 4.060 ( 0.000 0.000 0.000) 0.000 4.338 ( 0.000 0.000 -0.000) 0.000 4.462 ( 0.000 0.000 0.000) 0.000 4.506 ( 0.000 0.000 -0.000) 0.000 4.618 ( -0.000 0.000 0.000) 0.000 4.837 ( 0.000 0.000 -0.000) 0.000 4.930 ( 0.000 0.000 0.000) 0.000 5.198 ( -0.000 0.000 -0.000) 0.000 5.203 ( 0.000 0.000 0.000) 0.000 5.223 ( 0.000 0.000 0.000) 0.000 5.486 ( 0.000 0.000 0.000) 0.000 5.608 ( 0.000 0.000 0.000) 0.000 5.662 ( -0.000 0.000 0.000) 0.000 5.713 ( 0.000 0.000 -0.000) 0.000 5.825 ( 0.000 0.000 0.000) 0.000 6.031 ( 0.000 0.000 0.000) 0.000 6.069 ( 0.000 0.000 -0.000) 0.000 6.211 ( 0.000 0.000 0.000) 0.000 6.305 ( 0.000 0.000 0.000) 0.000 6.363 ( 0.000 0.000 0.000) 0.000 6.556 ( 0.000 0.000 0.000) 0.000 6.616 ( 0.000 0.000 -0.000) 0.000 6.736 ( 0.000 0.000 -0.000) 0.000 6.746 ( -0.000 0.000 0.000) 0.000 6.872 ( 0.000 0.000 0.000) 0.000 6.966 ( 0.000 0.000 0.000) 0.000 7.128 ( 0.000 0.000 0.000) 0.000 7.250 ( 0.000 0.000 -0.000) 0.000 7.419 ( 0.000 0.000 0.000) 0.000 7.520 ( 0.000 0.000 0.000) 0.000 7.617 ( 0.000 0.000 0.000) 0.000 7.757 ( 0.000 0.000 0.000) 0.000 7.793 ( 0.000 0.000 0.000) 0.000 7.859 ( 0.000 0.000 -0.000) 0.000 8.119 ( 0.000 0.000 0.000) 0.000 9.079 ( -0.000 0.000 0.000) 0.000 9.162 ( 0.000 0.000 0.000) 0.000 9.221 ( 0.000 0.000 0.000) 0.000 9.335 ( 0.000 0.000 0.000) 0.000 9.655 ( -0.000 0.000 0.000) 0.000 9.703 ( 0.000 0.000 -0.000) 0.000 9.895 ( 0.000 0.000 0.000) 0.000 10.008 ( 0.000 0.000 0.000) 0.000 10.056 ( 0.000 0.000 0.000) 0.000 10.157 ( 0.000 0.000 0.000) 0.000 10.296 ( 0.000 0.000 0.000) 0.000 10.432 ( 0.000 0.000 0.000) 0.000 10.685 ( 0.000 0.000 0.000) 0.000 10.700 ( 0.000 0.000 0.000) 0.000 10.886 ( 0.000 0.000 0.000) 0.000 11.016 ( 0.000 0.000 0.000) 0.000 11.170 ( 0.000 0.000 0.000) 0.000 11.206 ( 0.000 0.000 0.000) 0.000 11.241 ( 0.000 0.000 0.000) 0.000 11.478 ( 0.000 0.000 -0.000) 0.000 12.475 ( 0.000 0.000 0.000) 0.000 12.713 ( 0.000 0.000 0.000) 0.000 12.719 ( 0.000 0.000 0.000) 0.000 12.733 ( 0.000 0.000 0.000) 0.000 13.446 ( 0.000 0.000 0.000) 0.000 13.591 ( 0.000 0.000 0.000) 0.000 13.881 ( 0.000 0.000 0.000) 0.000 13.920 ( 0.000 0.000 0.000) 0.000 14.921 ( 0.000 0.000 0.000) 0.000 15.044 ( 0.000 0.000 0.000) 0.000 15.087 ( 0.000 0.000 0.000) 0.000 15.194 ( 0.000 0.000 0.000) 0.000 15.204 ( 0.000 0.000 -0.000) 0.000 15.349 ( 0.000 0.000 0.000) 0.000 15.374 ( 0.000 0.000 -0.000) 0.000 15.387 ( 0.000 0.000 0.000) 0.000 15.812 ( 0.000 0.000 -0.000) 0.000 15.858 ( 0.000 0.000 0.000) 0.000 15.877 ( 0.000 0.000 0.000) 0.000 15.938 ( 0.000 0.000 0.000) 0.000 16.673 ( 0.000 0.000 0.000) 0.000 16.777 ( 0.000 0.000 0.000) 0.000 16.807 ( 0.000 0.000 0.000) 0.000 16.820 ( -0.000 0.000 0.000) 0.000 17.533 ( 0.000 0.000 0.000) 0.000 17.648 ( 0.000 0.000 0.000) 0.000 17.741 ( 0.000 0.000 0.000) 0.000 17.767 ( 0.000 0.000 0.000) 0.000 21.925 ( 0.000 0.000 0.000) 0.000 22.038 ( -0.000 0.000 0.000) 0.000 22.166 ( 0.000 0.000 0.000) 0.000 22.263 ( 0.000 0.000 0.000) 0.000 26.670 ( 0.000 0.000 0.000) 0.000 26.737 ( 0.000 0.000 0.000) 0.000 26.825 ( 0.000 0.000 0.000) 0.000 26.849 ( 0.000 0.000 0.000) 0.000 28.452 ( 0.000 0.000 0.000) 0.000 28.500 ( 0.000 0.000 0.000) 0.000 28.523 ( 0.000 0.000 0.000) 0.000 28.583 ( 0.000 0.000 0.000) 0.000 29.336 ( 0.000 0.000 0.000) 0.000 29.619 ( 0.000 0.000 0.000) 0.000 29.762 ( 0.000 0.000 0.000) 0.000 30.110 ( 0.000 0.000 0.000) 0.000 30.793 ( 0.000 0.000 0.000) 0.000 30.803 ( 0.000 0.000 -0.000) 0.000 30.811 ( 0.000 0.000 -0.000) 0.000 30.885 ( -0.000 0.000 0.000) 0.000 30.979 ( 0.000 0.000 0.000) 0.000 31.537 ( 0.000 0.000 -0.000) 0.000 31.991 ( -0.000 0.000 0.000) 0.000 32.040 ( 0.000 0.000 0.000) 0.000 32.359 ( 0.000 0.000 0.000) 0.000 32.668 ( 0.000 0.000 0.000) 0.000 33.218 ( 0.000 0.000 0.000) 0.000 33.231 ( 0.000 0.000 0.000) 0.000 33.265 ( -0.000 0.000 -0.000) 0.000 33.431 ( -0.000 0.000 0.000) 0.000 34.242 ( 0.000 0.000 0.000) 0.000 34.801 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 13 (7/88) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.451 ( 0.000 22.061 0.000) 22.061 0.603 ( 0.000 28.604 0.000) 28.604 0.873 ( 0.000 39.022 0.000) 39.022 1.661 ( 0.000 12.886 0.000) 12.886 1.707 ( 0.000 6.166 0.000) 6.166 1.944 ( 0.000 -3.174 0.000) 3.174 2.144 ( 0.000 -3.055 0.000) 3.055 2.172 ( 0.000 -1.255 0.000) 1.255 2.587 ( 0.000 -11.154 0.000) 11.154 2.635 ( 0.000 -3.474 0.000) 3.474 2.792 ( 0.000 -13.914 0.000) 13.914 2.823 ( 0.000 6.700 0.000) 6.700 2.867 ( 0.000 -3.077 0.000) 3.077 3.300 ( 0.000 0.951 0.000) 0.951 3.494 ( 0.000 3.917 0.000) 3.917 3.673 ( 0.000 1.603 0.000) 1.603 3.837 ( 0.000 -1.876 0.000) 1.876 3.919 ( 0.000 4.073 0.000) 4.073 4.054 ( 0.000 5.704 0.000) 5.704 4.087 ( 0.000 0.696 0.000) 0.696 4.170 ( 0.000 -3.267 0.000) 3.267 4.253 ( 0.000 1.778 0.000) 1.778 4.321 ( 0.000 5.868 0.000) 5.868 4.384 ( 0.000 -3.020 0.000) 3.020 4.479 ( 0.000 -1.674 0.000) 1.674 4.516 ( 0.000 -0.637 0.000) 0.637 4.692 ( 0.000 1.521 0.000) 1.521 4.797 ( 0.000 6.296 0.000) 6.296 4.841 ( 0.000 -0.207 0.000) 0.207 5.042 ( 0.000 2.095 0.000) 2.095 5.076 ( 0.000 -3.193 0.000) 3.193 5.242 ( 0.000 -1.938 0.000) 1.938 5.350 ( 0.000 1.270 0.000) 1.270 5.621 ( 0.000 3.775 0.000) 3.775 5.663 ( 0.000 -7.079 0.000) 7.079 5.786 ( 0.000 4.263 0.000) 4.263 5.824 ( 0.000 -3.913 0.000) 3.913 6.218 ( 0.000 7.085 0.000) 7.085 6.322 ( 0.000 -1.343 0.000) 1.343 6.558 ( 0.000 0.364 0.000) 0.364 6.741 ( 0.000 2.192 0.000) 2.192 7.110 ( 0.000 -0.050 0.000) 0.050 7.155 ( 0.000 5.306 0.000) 5.306 7.297 ( 0.000 -2.649 0.000) 2.649 7.375 ( 0.000 -5.515 0.000) 5.515 7.510 ( 0.000 11.095 0.000) 11.095 7.785 ( 0.000 1.760 0.000) 1.760 7.792 ( 0.000 -9.445 0.000) 9.445 8.032 ( 0.000 1.127 0.000) 1.127 8.257 ( 0.000 -3.244 0.000) 3.244 8.475 ( 0.000 -12.077 0.000) 12.077 9.020 ( 0.000 -5.871 0.000) 5.871 9.235 ( 0.000 -11.025 0.000) 11.025 9.288 ( 0.000 -0.067 0.000) 0.067 9.372 ( 0.000 -8.495 0.000) 8.495 9.475 ( 0.000 -3.099 0.000) 3.099 9.509 ( 0.000 4.529 0.000) 4.529 9.660 ( 0.000 2.420 0.000) 2.420 9.757 ( 0.000 2.724 0.000) 2.724 9.927 ( 0.000 0.499 0.000) 0.499 10.079 ( 0.000 -8.281 0.000) 8.281 10.089 ( 0.000 6.452 0.000) 6.452 10.487 ( 0.000 -1.436 0.000) 1.436 10.581 ( 0.000 2.965 0.000) 2.965 10.789 ( 0.000 -0.668 0.000) 0.668 10.942 ( 0.000 4.929 0.000) 4.929 11.050 ( 0.000 5.571 0.000) 5.571 11.133 ( 0.000 1.118 0.000) 1.118 11.205 ( 0.000 9.655 0.000) 9.655 11.251 ( 0.000 -1.469 0.000) 1.469 11.605 ( 0.000 6.075 0.000) 6.075 12.073 ( 0.000 -12.053 0.000) 12.053 12.327 ( 0.000 3.092 0.000) 3.092 12.424 ( 0.000 1.627 0.000) 1.627 12.685 ( 0.000 0.412 0.000) 0.412 12.809 ( 0.000 -2.262 0.000) 2.262 13.755 ( 0.000 0.895 0.000) 0.895 13.941 ( 0.000 0.409 0.000) 0.409 14.090 ( 0.000 -4.616 0.000) 4.616 14.182 ( 0.000 -0.402 0.000) 0.402 14.902 ( 0.000 -3.737 0.000) 3.737 14.909 ( 0.000 2.928 0.000) 2.928 15.054 ( 0.000 3.960 0.000) 3.960 15.059 ( 0.000 1.569 0.000) 1.569 15.264 ( 0.000 0.025 0.000) 0.025 15.296 ( 0.000 -3.023 0.000) 3.023 15.394 ( 0.000 -2.547 0.000) 2.547 15.420 ( 0.000 -10.156 0.000) 10.156 15.651 ( 0.000 2.629 0.000) 2.629 15.713 ( 0.000 4.863 0.000) 4.863 16.118 ( 0.000 0.386 0.000) 0.386 16.218 ( 0.000 -2.277 0.000) 2.277 16.369 ( 0.000 3.637 0.000) 3.637 16.627 ( 0.000 -3.473 0.000) 3.473 16.764 ( 0.000 -1.064 0.000) 1.064 16.939 ( 0.000 -5.964 0.000) 5.964 17.524 ( 0.000 2.402 0.000) 2.402 17.728 ( 0.000 3.747 0.000) 3.747 17.894 ( 0.000 -3.646 0.000) 3.646 17.972 ( 0.000 0.032 0.000) 0.032 21.766 ( 0.000 11.053 0.000) 11.053 22.007 ( 0.000 2.654 0.000) 2.654 22.478 ( 0.000 -0.836 0.000) 0.836 22.608 ( 0.000 -0.624 0.000) 0.624 26.806 ( 0.000 -1.347 0.000) 1.347 26.834 ( 0.000 -0.387 0.000) 0.387 26.961 ( 0.000 6.010 0.000) 6.010 27.494 ( 0.000 -3.293 0.000) 3.293 28.451 ( 0.000 -1.369 0.000) 1.369 28.483 ( 0.000 -0.428 0.000) 0.428 28.605 ( 0.000 3.684 0.000) 3.684 28.841 ( 0.000 -1.199 0.000) 1.199 29.337 ( 0.000 2.450 0.000) 2.450 29.747 ( 0.000 -4.006 0.000) 4.006 29.754 ( 0.000 1.611 0.000) 1.611 29.987 ( 0.000 -1.210 0.000) 1.210 30.552 ( 0.000 0.880 0.000) 0.880 30.593 ( 0.000 -0.110 0.000) 0.110 30.625 ( 0.000 0.941 0.000) 0.941 30.690 ( 0.000 -1.028 0.000) 1.028 30.764 ( 0.000 0.527 0.000) 0.527 31.024 ( 0.000 -3.129 0.000) 3.129 31.115 ( 0.000 0.257 0.000) 0.257 31.125 ( 0.000 0.904 0.000) 0.904 32.090 ( 0.000 0.447 0.000) 0.447 32.190 ( 0.000 -0.901 0.000) 0.901 32.424 ( 0.000 -0.209 0.000) 0.209 32.846 ( 0.000 -6.927 0.000) 6.927 34.042 ( 0.000 1.610 0.000) 1.610 34.204 ( 0.000 -0.819 0.000) 0.819 34.231 ( 0.000 5.051 0.000) 5.051 34.861 ( 0.000 -5.801 0.000) 5.801 ======================= Grid point 14 (8/88) ======================= q-point: ( 0.10 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.608 ( 10.655 17.203 9.489) 22.350 0.808 ( 18.088 16.365 2.535) 24.524 1.175 ( 22.036 23.310 3.561) 32.275 1.704 ( 7.960 8.931 -3.831) 12.562 1.899 ( 13.680 4.035 3.902) 14.787 1.960 ( 1.709 -2.293 0.803) 2.971 2.204 ( 6.414 -3.425 -0.619) 7.297 2.276 ( 9.932 -0.883 -0.221) 9.974 2.515 ( -3.790 -3.964 -4.349) 7.000 2.643 ( -0.116 -3.191 -1.124) 3.385 2.782 ( -0.731 -8.640 -0.089) 8.671 2.829 ( -2.960 -1.484 3.286) 4.665 2.888 ( 2.545 -1.629 5.525) 6.297 3.168 ( -6.492 15.638 -3.168) 17.226 3.418 ( -0.920 7.478 0.774) 7.574 3.665 ( 4.024 0.843 -1.465) 4.365 3.834 ( 8.458 3.204 2.248) 9.320 3.988 ( 0.224 -1.729 -4.774) 5.083 4.051 ( 3.189 7.518 -2.354) 8.499 4.094 ( 5.536 -2.466 -5.694) 8.316 4.197 ( 7.916 4.007 3.264) 9.454 4.253 ( -6.725 -1.310 2.941) 7.456 4.373 ( 5.820 -1.262 3.954) 7.148 4.487 ( 6.776 -2.164 0.516) 7.131 4.507 ( 1.245 -1.352 -0.719) 1.974 4.730 ( 5.309 1.012 -6.997) 8.841 4.841 ( 9.753 2.260 6.556) 11.967 4.913 ( 7.683 2.624 -5.986) 10.087 5.079 ( 0.124 -4.688 0.864) 4.768 5.124 ( 5.061 1.736 3.844) 6.588 5.194 ( 2.803 0.311 -1.808) 3.350 5.283 ( 18.190 -18.157 2.853) 25.859 5.435 ( 11.453 -3.679 4.108) 12.712 5.528 ( -0.219 -1.983 -0.688) 2.110 5.707 ( -0.730 -4.842 -0.492) 4.922 5.849 ( 6.714 -1.513 0.409) 6.895 5.929 ( 7.845 -1.775 1.619) 8.204 6.263 ( -1.025 -1.683 -5.685) 6.017 6.308 ( 4.896 5.921 7.881) 11.006 6.545 ( -3.153 0.435 0.536) 3.228 6.661 ( -4.791 6.409 3.115) 8.586 7.073 ( -4.246 6.950 -0.193) 8.147 7.174 ( 1.518 -2.747 -1.193) 3.358 7.329 ( 4.068 -2.010 -4.157) 6.153 7.394 ( -2.341 3.833 5.242) 6.902 7.481 ( 0.984 -0.704 0.375) 1.267 7.736 ( -1.267 -0.365 -3.633) 3.865 7.800 ( -1.900 -4.292 -2.083) 5.136 7.991 ( -2.918 -1.714 2.239) 4.058 8.351 ( -1.799 -9.416 8.564) 12.855 8.454 ( -3.444 -8.689 2.404) 9.651 8.830 ( -15.192 -5.421 -7.036) 17.599 9.161 ( -2.370 -3.279 1.882) 4.462 9.354 ( 0.488 -5.478 2.441) 6.017 9.389 ( -0.804 -8.017 3.745) 8.885 9.426 ( -0.836 -2.441 -3.782) 4.578 9.546 ( 0.655 2.129 1.216) 2.538 9.634 ( -1.200 2.433 -1.298) 3.007 9.778 ( 0.447 0.761 3.431) 3.542 9.854 ( -2.906 -0.280 -4.695) 5.529 10.069 ( -1.260 5.924 0.216) 6.061 10.162 ( 4.324 -6.694 3.275) 8.616 10.469 ( -1.463 -1.132 -0.462) 1.907 10.614 ( 0.577 1.217 0.152) 1.356 10.742 ( -6.542 -1.341 -0.081) 6.678 10.899 ( -1.654 2.076 -0.060) 2.656 11.058 ( 0.723 0.318 -1.971) 2.124 11.127 ( -5.145 -1.446 -2.264) 5.803 11.171 ( 2.012 6.828 1.420) 7.259 11.289 ( 2.084 11.394 4.997) 12.615 11.509 ( -9.124 10.406 2.187) 14.011 11.824 ( -8.903 6.756 -10.696) 15.470 12.386 ( 4.426 0.908 -0.164) 4.521 12.469 ( 4.436 -2.178 -4.489) 6.676 12.734 ( 3.634 0.441 -0.651) 3.718 12.788 ( -2.065 -1.770 -0.726) 2.815 13.744 ( -2.176 1.040 1.620) 2.905 13.881 ( -5.856 -0.435 0.351) 5.882 13.984 ( -7.059 -0.360 -3.366) 7.829 14.106 ( -3.731 -4.125 -0.128) 5.564 14.809 ( -3.931 -0.643 -1.822) 4.381 14.935 ( 0.877 3.110 3.088) 4.469 15.089 ( 3.953 1.839 -0.499) 4.389 15.161 ( -1.854 -5.489 0.101) 5.795 15.220 ( -3.572 0.107 -1.474) 3.866 15.282 ( 5.074 0.269 4.089) 6.522 15.404 ( 1.897 -1.619 -2.134) 3.282 15.444 ( 2.532 -7.940 -0.589) 8.354 15.618 ( -0.196 4.628 -1.234) 4.794 15.684 ( -1.590 4.976 -0.242) 5.229 15.954 ( -7.632 13.148 7.039) 16.753 16.235 ( 1.586 1.540 -0.648) 2.304 16.329 ( 0.616 4.503 -0.610) 4.586 16.582 ( -5.989 -2.227 -1.708) 6.614 16.750 ( 6.597 -4.671 -2.167) 8.369 16.930 ( -1.012 -3.719 -5.730) 6.906 17.523 ( 0.142 2.076 0.198) 2.090 17.663 ( -1.849 4.940 -1.568) 5.503 17.882 ( -2.286 -3.534 0.517) 4.240 17.959 ( -1.653 0.474 1.043) 2.011 21.774 ( 0.449 10.175 0.761) 10.213 21.888 ( -3.243 9.318 -1.526) 9.984 22.452 ( -3.144 -0.957 0.647) 3.350 22.576 ( -2.332 -1.495 -0.122) 2.773 26.816 ( -1.041 -0.714 0.140) 1.270 26.830 ( -0.235 -1.924 1.166) 2.262 26.951 ( -2.014 3.976 2.160) 4.953 27.169 ( -14.538 7.084 2.064) 16.303 28.448 ( -0.391 -1.118 -0.264) 1.214 28.486 ( 0.569 -0.537 -0.127) 0.793 28.596 ( -0.731 3.085 -0.333) 3.188 28.682 ( -2.840 2.121 -1.270) 3.766 29.425 ( -9.560 1.167 -3.982) 10.422 29.727 ( -2.742 -4.914 9.133) 10.727 29.955 ( 2.752 -2.006 1.382) 3.675 30.046 ( 10.208 -1.436 2.171) 10.534 30.626 ( 4.376 0.130 -1.274) 4.559 30.638 ( 3.457 0.965 -0.786) 3.674 30.683 ( 5.911 -0.067 4.766) 7.594 30.746 ( 8.156 0.176 0.011) 8.158 31.042 ( 2.647 0.216 -2.268) 3.493 31.086 ( 1.320 -1.353 -0.155) 1.897 31.139 ( 1.679 -0.439 -0.605) 1.838 31.888 ( 37.010 -36.117 -4.776) 51.933 32.131 ( 13.890 -3.801 -16.704) 22.055 32.283 ( 6.199 -11.043 25.190) 28.194 32.469 ( 5.908 -1.337 1.253) 6.185 32.864 ( 1.503 -6.074 1.182) 6.368 33.986 ( -5.563 1.443 0.703) 5.790 34.160 ( -5.071 4.150 -0.992) 6.628 34.187 ( -1.289 -0.995 -3.451) 3.816 34.749 ( -8.238 -3.531 -0.866) 9.005 ======================= Grid point 15 (9/88) ======================= q-point: ( 0.20 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( 17.206 11.290 7.628) 21.948 1.242 ( 20.588 3.824 6.984) 22.074 1.548 ( 14.240 9.650 -1.876) 17.303 1.847 ( 6.862 -1.722 -3.602) 7.939 2.023 ( 3.319 -2.008 6.401) 7.484 2.155 ( 6.930 0.598 -0.797) 7.001 2.326 ( -3.655 1.639 -8.423) 9.327 2.362 ( 9.855 -2.517 -0.578) 10.187 2.442 ( 0.003 -0.782 -6.944) 6.988 2.702 ( -4.486 -4.175 6.410) 8.868 2.731 ( 4.601 -1.472 3.160) 5.773 2.842 ( 3.860 -1.862 0.687) 4.340 3.011 ( 3.313 7.485 3.533) 8.916 3.090 ( 1.356 7.702 0.522) 7.838 3.416 ( -0.356 9.705 2.970) 10.155 3.766 ( 5.248 -0.157 -0.493) 5.273 3.820 ( -6.623 0.663 -13.192) 14.776 3.997 ( 2.478 -1.003 -0.576) 2.734 4.054 ( 6.622 3.504 -1.673) 7.676 4.178 ( -0.617 -3.626 1.873) 4.127 4.309 ( 11.098 2.351 4.272) 12.122 4.426 ( 3.808 1.917 -1.691) 4.587 4.539 ( 13.171 -1.721 6.093) 14.614 4.590 ( 9.606 2.525 5.250) 11.235 4.781 ( 15.970 -2.635 4.087) 16.694 4.878 ( 6.136 -1.994 -7.263) 9.715 4.976 ( 11.149 0.104 -6.647) 12.981 5.036 ( 6.251 2.295 -2.360) 7.065 5.124 ( 12.004 2.176 -2.843) 12.527 5.253 ( 8.467 0.402 -1.262) 8.570 5.309 ( 5.913 0.726 3.188) 6.757 5.405 ( -1.890 -4.076 0.217) 4.498 5.522 ( 11.551 -2.489 5.947) 13.229 5.682 ( -0.266 -1.592 2.057) 2.615 5.823 ( 8.540 -7.391 3.997) 11.981 5.993 ( 7.070 -1.448 0.454) 7.231 6.108 ( 8.217 1.276 2.781) 8.768 6.274 ( 8.875 -6.575 -8.228) 13.773 6.440 ( 2.423 8.667 4.590) 10.102 6.564 ( 6.828 2.694 2.715) 7.827 6.613 ( -5.259 5.846 6.440) 10.165 6.988 ( -5.527 2.731 1.942) 6.463 7.106 ( -3.543 -1.831 -12.277) 12.909 7.294 ( -3.088 0.240 -2.408) 3.923 7.465 ( 2.805 -2.451 2.182) 4.317 7.521 ( 0.795 -5.998 6.215) 8.674 7.691 ( -1.806 -1.750 -1.196) 2.785 7.709 ( -1.831 0.892 -3.710) 4.232 7.948 ( -5.285 -6.725 -0.938) 8.604 8.196 ( -10.540 -3.193 -8.946) 14.189 8.365 ( -13.231 -6.739 3.915) 15.356 8.499 ( -12.005 -2.966 4.527) 13.169 9.146 ( -1.426 -0.112 0.924) 1.703 9.332 ( -2.591 -0.742 -4.087) 4.896 9.354 ( -3.248 -4.768 2.070) 6.129 9.424 ( 0.132 -6.692 2.043) 6.998 9.548 ( 0.515 -0.783 0.299) 0.984 9.616 ( -1.583 -2.262 -0.673) 2.842 9.774 ( 0.271 -2.933 -2.778) 4.049 9.840 ( 1.446 4.462 3.255) 5.709 10.037 ( -1.424 5.351 -1.563) 5.753 10.246 ( 1.140 -7.002 2.416) 7.495 10.438 ( -1.785 -1.024 1.276) 2.422 10.561 ( -4.459 -2.634 -2.898) 5.935 10.614 ( -2.960 1.440 -1.123) 3.478 10.884 ( -1.407 -0.365 1.412) 2.027 10.980 ( -6.934 -0.048 0.153) 6.936 11.070 ( 1.935 0.054 -6.562) 6.842 11.201 ( -0.740 11.532 2.001) 11.727 11.345 ( -3.345 10.717 6.317) 12.882 11.417 ( -0.219 7.404 2.653) 7.868 11.637 ( -5.594 6.532 -2.882) 9.070 12.443 ( 3.393 -2.623 -2.048) 4.752 12.553 ( 5.132 0.804 -0.438) 5.214 12.725 ( -3.583 -0.694 -0.209) 3.656 12.782 ( 2.054 0.085 -1.337) 2.453 13.696 ( -3.810 1.366 1.646) 4.370 13.739 ( -7.420 -0.577 -1.884) 7.677 13.869 ( -3.743 -4.548 -0.128) 5.891 14.033 ( -2.959 -5.664 -1.836) 6.649 14.764 ( -0.144 -0.513 1.045) 1.172 15.011 ( 2.667 2.715 6.514) 7.545 15.084 ( -1.652 -0.713 -3.606) 4.030 15.104 ( -0.220 -2.535 -4.238) 4.943 15.203 ( 0.910 1.673 0.426) 1.952 15.377 ( -0.754 -1.499 0.523) 1.757 15.438 ( 3.171 -1.863 0.493) 3.711 15.526 ( 6.007 -5.189 0.148) 7.939 15.637 ( -1.525 4.193 0.283) 4.470 15.669 ( 3.393 3.006 -1.391) 4.742 15.961 ( -1.387 8.568 10.075) 13.298 16.146 ( -4.529 4.884 -7.877) 10.316 16.425 ( 4.273 2.103 4.033) 6.240 16.519 ( 1.518 -3.983 -2.151) 4.775 16.831 ( 0.525 -4.061 0.511) 4.127 16.861 ( 0.687 -2.684 -4.432) 5.227 17.529 ( 0.329 1.967 -0.190) 2.003 17.647 ( 0.829 2.730 -0.280) 2.867 17.819 ( -3.958 -2.823 -0.305) 4.871 17.927 ( -2.771 0.230 1.317) 3.077 21.798 ( 1.775 7.388 0.538) 7.617 21.879 ( 1.700 7.491 0.169) 7.684 22.380 ( -4.591 -1.646 0.830) 4.947 22.511 ( -4.097 -1.873 -0.899) 4.594 26.782 ( -2.250 0.128 0.042) 2.254 26.824 ( -0.860 -1.447 0.036) 1.684 26.919 ( -2.751 1.958 1.240) 3.598 26.983 ( -7.523 2.956 1.010) 8.146 28.435 ( -0.200 -0.088 -0.821) 0.850 28.494 ( 0.005 -1.126 0.100) 1.131 28.587 ( -0.523 2.727 0.769) 2.881 28.646 ( -0.752 1.346 0.047) 1.542 29.283 ( -2.065 2.601 -2.161) 3.962 29.641 ( -5.677 -1.715 -2.755) 6.539 30.010 ( 0.254 0.543 6.111) 6.141 30.205 ( 2.767 -2.290 -0.001) 3.591 30.692 ( 2.415 -0.464 1.442) 2.851 30.703 ( 4.400 0.995 -3.600) 5.771 30.778 ( 0.917 -1.857 0.214) 2.082 30.912 ( 4.057 2.113 1.602) 4.847 31.100 ( 6.886 -0.730 1.689) 7.128 31.154 ( 4.510 -3.526 -3.277) 6.596 31.258 ( 14.077 2.856 -3.240) 14.724 32.058 ( -0.603 -3.968 7.873) 8.837 32.212 ( 7.180 -2.033 -11.284) 13.529 32.515 ( 6.789 -1.584 -0.707) 7.007 32.789 ( 11.350 -15.728 6.326) 20.401 32.933 ( 5.043 -4.023 0.865) 6.509 33.857 ( -7.957 0.639 -0.104) 7.983 33.995 ( -9.925 4.406 -1.539) 10.968 34.154 ( 0.450 -5.969 -3.607) 6.989 34.607 ( -7.015 -6.165 4.470) 10.354 ======================= Grid point 16 (10/88) ======================= q-point: ( 0.30 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( 18.953 6.048 4.578) 20.414 1.635 ( 13.917 0.814 2.457) 14.156 1.760 ( 11.095 2.378 -0.401) 11.354 1.878 ( 0.568 -4.688 -3.521) 5.891 2.062 ( -4.502 0.507 -2.824) 5.339 2.137 ( -2.174 -0.157 -3.945) 4.507 2.260 ( 2.985 -1.593 -2.074) 3.969 2.397 ( -0.225 -0.920 -2.551) 2.721 2.468 ( 0.407 -0.011 -5.369) 5.385 2.561 ( -8.836 0.871 6.990) 11.300 2.782 ( -2.134 3.150 -0.186) 3.810 3.034 ( 7.323 1.435 3.245) 8.138 3.086 ( 3.833 4.071 5.598) 7.912 3.194 ( 5.011 3.940 2.847) 6.982 3.462 ( -0.978 8.781 -1.163) 8.911 3.621 ( -0.483 4.028 -6.552) 7.707 3.831 ( 1.093 1.948 3.194) 3.898 4.076 ( 6.664 -1.625 -0.429) 6.872 4.194 ( 2.530 -2.278 -1.269) 3.633 4.221 ( 9.815 3.149 -1.070) 10.363 4.390 ( -3.121 4.283 -7.438) 9.133 4.524 ( 6.982 -0.514 0.639) 7.030 4.741 ( 5.182 -4.018 3.656) 7.507 4.821 ( 7.776 -1.430 2.885) 8.416 4.917 ( 6.108 -4.145 0.829) 7.428 5.072 ( 5.701 1.669 -0.093) 5.941 5.201 ( 8.902 -0.925 -3.288) 9.535 5.242 ( 16.042 1.828 2.087) 16.280 5.267 ( 9.067 -1.631 -1.070) 9.275 5.344 ( 4.859 0.174 0.999) 4.963 5.500 ( 11.941 -1.108 0.884) 12.025 5.589 ( 15.513 1.547 -1.050) 15.625 5.717 ( 7.281 6.463 2.211) 9.984 5.857 ( 11.200 -5.338 6.668) 14.085 5.976 ( 7.457 -6.108 2.868) 10.057 6.125 ( 7.174 1.243 1.109) 7.365 6.289 ( 8.644 0.071 0.618) 8.667 6.366 ( 0.907 -0.490 -4.918) 5.025 6.470 ( -2.233 3.611 -1.538) 4.515 6.603 ( 5.186 7.702 5.596) 10.841 6.792 ( 7.533 -1.541 3.600) 8.490 6.862 ( 1.163 -1.501 -9.551) 9.738 6.984 ( -4.361 -0.877 2.790) 5.251 7.165 ( -7.537 2.383 -3.588) 8.681 7.411 ( -8.040 -5.082 4.629) 10.578 7.598 ( 0.261 -6.190 -1.148) 6.301 7.616 ( -2.612 -0.771 -1.318) 3.026 7.700 ( -12.281 -5.371 -7.995) 15.607 7.774 ( 4.879 -1.243 4.605) 6.823 7.986 ( -7.450 -0.045 -2.215) 7.772 8.104 ( -11.134 -3.562 -0.806) 11.717 8.330 ( -12.170 -2.052 2.716) 12.637 9.117 ( -1.335 2.134 -0.556) 2.577 9.232 ( -2.769 2.467 -3.843) 5.341 9.318 ( -1.831 -3.726 -0.019) 4.152 9.455 ( 1.529 -8.210 1.786) 8.540 9.519 ( -5.940 -0.515 -0.658) 5.999 9.581 ( 0.539 -5.151 1.351) 5.353 9.806 ( 3.614 -0.960 -0.589) 3.786 9.898 ( 2.357 3.989 2.225) 5.140 10.012 ( 0.887 2.651 -2.130) 3.515 10.239 ( -2.852 -2.779 1.335) 4.200 10.400 ( -2.934 -6.223 -1.400) 7.021 10.503 ( -0.024 -1.942 -1.369) 2.376 10.571 ( -0.307 -0.202 -1.535) 1.578 10.836 ( -5.629 -1.186 1.165) 5.870 10.885 ( -2.111 2.545 1.878) 3.803 11.038 ( -0.339 3.945 -5.252) 6.577 11.199 ( 0.059 2.450 -0.394) 2.482 11.309 ( -2.647 8.266 2.876) 9.143 11.440 ( -2.189 6.025 3.461) 7.285 11.556 ( -3.138 8.914 3.327) 10.019 12.496 ( 2.593 -3.028 -0.957) 4.100 12.604 ( 0.215 -0.882 -1.162) 1.474 12.692 ( 0.436 2.009 2.584) 3.302 12.792 ( 0.367 -0.281 -1.877) 1.933 13.587 ( -5.983 -0.875 -2.320) 6.477 13.642 ( -3.008 1.020 1.318) 3.439 13.815 ( -2.164 -5.108 0.241) 5.552 13.968 ( -2.080 -5.168 -1.819) 5.861 14.816 ( 2.957 -2.522 4.157) 5.691 15.030 ( -0.305 3.436 -5.890) 6.826 15.075 ( 1.230 -4.368 -2.593) 5.226 15.123 ( 2.778 1.767 5.752) 6.628 15.230 ( -0.355 3.381 4.781) 5.867 15.327 ( -2.211 1.936 -3.487) 4.560 15.481 ( 1.058 -0.483 -0.091) 1.167 15.582 ( -2.769 5.295 -1.965) 6.290 15.643 ( 6.034 -4.205 -1.154) 7.444 15.738 ( 3.424 -0.874 -0.303) 3.547 15.966 ( -4.732 2.468 -0.085) 5.338 16.033 ( -2.218 3.420 1.712) 4.421 16.517 ( 4.133 0.370 1.503) 4.414 16.593 ( 4.767 -0.638 1.071) 4.927 16.796 ( -1.650 -3.834 -0.140) 4.176 16.878 ( 1.249 -2.510 -2.297) 3.625 17.532 ( 0.256 1.896 -0.302) 1.937 17.680 ( 2.022 1.123 0.639) 2.400 17.739 ( -3.748 -1.790 -0.468) 4.180 17.872 ( -3.648 -0.173 0.548) 3.693 21.854 ( 3.546 4.266 0.352) 5.558 21.928 ( 2.967 6.206 -0.054) 6.879 22.302 ( -4.231 -2.221 1.528) 5.017 22.405 ( -5.704 -1.472 -1.439) 6.064 26.734 ( -2.540 0.506 0.038) 2.590 26.804 ( -0.800 -0.742 -1.077) 1.533 26.859 ( -3.882 0.963 0.623) 4.048 26.892 ( -2.541 1.190 0.467) 2.845 28.434 ( 0.602 0.738 -0.181) 0.970 28.495 ( 0.115 -0.504 0.436) 0.676 28.572 ( -1.005 2.709 -0.390) 2.915 28.640 ( -0.957 0.564 0.644) 1.284 29.309 ( 4.287 2.586 2.377) 5.542 29.508 ( -4.432 0.449 -4.450) 6.296 30.058 ( -0.624 0.274 5.789) 5.829 30.144 ( -6.455 -1.568 -3.708) 7.608 30.736 ( 1.964 -0.788 -0.503) 2.176 30.748 ( 1.883 -0.112 0.170) 1.894 30.786 ( 1.088 -0.677 -0.245) 1.305 30.930 ( -1.643 4.465 1.454) 4.975 31.147 ( 1.934 -5.671 -11.871) 13.297 31.297 ( 8.782 -2.194 2.890) 9.502 31.563 ( 16.951 4.149 -1.657) 17.530 32.100 ( -2.169 -2.937 7.698) 8.520 32.264 ( 5.365 0.776 -4.099) 6.797 32.641 ( 6.987 2.708 -1.412) 7.625 32.958 ( 4.222 -3.400 5.135) 7.467 33.043 ( 5.820 -0.847 -1.646) 6.107 33.683 ( -9.299 0.474 -1.298) 9.401 33.778 ( -11.436 3.278 -0.315) 11.901 34.138 ( 1.052 -9.339 -4.079) 10.245 34.568 ( -2.503 -10.730 7.903) 13.560 ======================= Grid point 17 (11/88) ======================= q-point: ( 0.40 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( 10.913 -0.358 1.353) 11.002 1.784 ( 2.765 -0.971 -1.392) 3.244 1.873 ( 3.621 -2.463 -3.278) 5.470 1.952 ( -0.400 3.516 -1.716) 3.933 1.970 ( 4.889 1.768 -0.239) 5.204 2.074 ( 0.437 2.464 -2.362) 3.441 2.246 ( -3.385 -1.089 -1.853) 4.010 2.345 ( -3.149 -1.879 -2.050) 4.201 2.410 ( -2.735 1.071 2.973) 4.179 2.508 ( -1.026 4.548 0.206) 4.666 2.729 ( -1.381 1.881 -1.287) 2.665 3.138 ( 3.313 6.229 4.586) 8.415 3.228 ( 4.310 -3.917 4.504) 7.362 3.271 ( -1.356 0.112 0.197) 1.375 3.402 ( 4.199 10.348 -3.203) 11.618 3.566 ( -7.487 11.826 1.806) 14.113 3.949 ( 6.708 1.529 2.948) 7.485 4.008 ( -10.748 2.163 -8.567) 13.913 4.246 ( 7.386 -4.740 0.100) 8.777 4.308 ( 4.153 -2.164 -3.587) 5.899 4.498 ( 10.964 5.553 -1.325) 12.361 4.609 ( -0.900 -1.995 2.626) 3.418 4.780 ( 1.817 -4.575 -2.822) 5.674 4.922 ( -1.012 -3.779 1.828) 4.318 5.041 ( 7.851 -0.368 1.133) 7.941 5.175 ( 3.837 -0.199 3.172) 4.982 5.259 ( 3.645 2.325 -6.555) 7.852 5.448 ( 5.566 -0.469 2.309) 6.044 5.475 ( 8.463 -0.266 3.306) 9.090 5.536 ( 6.596 -3.784 4.470) 8.821 5.679 ( 4.074 3.133 3.366) 6.144 5.837 ( 11.296 1.036 -1.287) 11.416 5.948 ( -2.679 -2.261 -1.251) 3.722 6.011 ( 16.190 4.563 2.675) 17.032 6.076 ( -0.514 -2.385 -1.732) 2.993 6.280 ( 7.726 -1.008 -1.732) 7.981 6.317 ( 5.620 0.088 1.702) 5.873 6.479 ( 7.620 -1.448 -0.209) 7.759 6.519 ( 5.904 3.024 -0.670) 6.668 6.698 ( 1.701 2.408 -5.092) 5.883 6.800 ( 1.796 -2.832 -3.367) 4.753 6.895 ( -6.811 -3.083 2.521) 7.890 6.983 ( -0.981 1.011 1.819) 2.301 7.086 ( 5.000 1.837 6.048) 8.059 7.269 ( -9.639 -2.350 4.023) 10.706 7.475 ( -5.714 -1.233 -3.344) 6.734 7.530 ( -3.996 -2.490 -0.200) 4.712 7.592 ( -0.354 -4.404 -2.557) 5.104 7.803 ( -3.283 -1.503 1.165) 3.794 7.812 ( -7.716 -1.760 -0.384) 7.924 8.037 ( 1.139 -2.027 -0.744) 2.441 8.079 ( -10.856 -0.275 -2.772) 11.207 9.100 ( 0.060 2.873 -0.108) 2.875 9.177 ( -1.037 1.629 -1.575) 2.492 9.283 ( -0.534 -1.256 -2.342) 2.710 9.400 ( -5.475 2.109 1.203) 5.990 9.502 ( 1.786 -8.686 0.744) 8.899 9.603 ( 0.105 -6.711 2.021) 7.010 9.879 ( 3.003 -2.231 1.851) 4.174 9.969 ( 3.784 3.643 -0.497) 5.276 10.026 ( 1.377 0.318 -1.393) 1.984 10.190 ( -1.888 -0.432 -0.272) 1.956 10.312 ( -4.140 -6.451 -2.206) 7.976 10.481 ( -0.429 1.684 -2.899) 3.380 10.592 ( 1.470 -5.037 2.515) 5.819 10.746 ( -4.042 -0.179 0.325) 4.059 10.871 ( -1.108 -0.481 0.648) 1.371 10.993 ( -0.578 5.476 -2.099) 5.893 11.193 ( -0.319 -3.213 -0.644) 3.292 11.303 ( 0.211 8.535 1.013) 8.597 11.407 ( -2.275 8.889 1.362) 9.276 11.537 ( -2.488 7.030 3.693) 8.321 12.491 ( -1.092 -1.378 -2.086) 2.728 12.624 ( 1.603 -2.347 2.407) 3.724 12.735 ( 1.401 2.393 0.959) 2.934 12.771 ( -0.743 -0.019 -1.533) 1.703 13.478 ( -3.399 -0.776 -1.673) 3.867 13.610 ( -1.298 1.069 1.037) 1.976 13.783 ( -1.219 -6.964 -0.424) 7.083 13.929 ( -0.929 -3.109 -0.488) 3.281 14.922 ( 3.886 -3.839 3.894) 6.708 14.985 ( 0.217 4.055 -3.915) 5.641 15.123 ( 4.076 -0.320 0.994) 4.207 15.145 ( -3.506 0.229 0.073) 3.515 15.257 ( 0.441 4.803 0.458) 4.844 15.311 ( 0.921 1.488 5.504) 5.776 15.467 ( -2.006 1.969 -3.235) 4.286 15.503 ( -2.125 5.603 -3.597) 6.989 15.728 ( 3.891 -3.506 -2.620) 5.857 15.800 ( 3.523 -1.944 0.745) 4.092 15.887 ( -1.365 -0.273 -1.913) 2.366 15.992 ( -5.275 0.602 4.002) 6.648 16.606 ( 3.108 -1.288 0.897) 3.482 16.691 ( 4.167 -1.383 1.934) 4.798 16.776 ( -0.226 -1.875 -0.034) 1.889 16.859 ( -1.164 -2.273 -2.370) 3.484 17.539 ( 0.644 1.586 0.065) 1.713 17.672 ( -2.612 -1.053 -0.450) 2.852 17.721 ( 1.456 0.333 0.586) 1.604 17.806 ( -2.995 0.085 -0.031) 2.996 21.928 ( 3.367 2.433 -0.304) 4.165 21.989 ( 3.582 4.379 0.160) 5.659 22.240 ( -3.856 -2.443 0.227) 4.570 22.287 ( -4.754 -0.319 0.074) 4.765 26.692 ( -1.689 0.603 -0.029) 1.793 26.775 ( -0.949 1.322 -1.198) 2.021 26.814 ( -1.561 -1.198 0.906) 2.166 26.865 ( -0.766 0.647 -0.023) 1.003 28.453 ( 1.059 1.304 0.359) 1.717 28.505 ( 0.284 0.375 0.718) 0.858 28.551 ( -0.737 2.217 -0.444) 2.378 28.614 ( -1.425 0.726 -0.494) 1.674 29.407 ( -1.985 2.233 -2.574) 3.943 29.463 ( 6.608 1.354 5.263) 8.556 29.942 ( -8.881 -0.389 -5.589) 10.500 30.083 ( -0.932 -1.306 3.301) 3.670 30.757 ( -0.049 -1.639 0.782) 1.816 30.784 ( 2.114 -0.876 -0.277) 2.306 30.817 ( 1.782 0.516 0.114) 1.859 30.902 ( -2.850 4.049 2.605) 5.595 31.060 ( -0.055 -1.571 -10.947) 11.059 31.453 ( 5.179 -2.649 1.212) 5.942 31.828 ( 11.903 0.996 -2.491) 12.202 32.086 ( -4.100 -2.662 3.699) 6.130 32.350 ( 3.909 3.257 1.136) 5.214 32.743 ( 4.138 7.361 -0.893) 8.491 33.078 ( 3.804 -0.184 6.355) 7.409 33.150 ( 7.909 1.119 -3.310) 8.646 33.485 ( -8.875 1.442 -3.537) 9.662 33.561 ( -11.130 1.771 1.374) 11.354 34.126 ( 0.667 -10.723 -2.790) 11.100 34.611 ( 0.239 -14.025 5.806) 15.181 ======================= Grid point 18 (12/88) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( 0.000 -6.283 0.000) 6.283 1.813 ( 0.000 1.582 0.000) 1.582 1.873 ( 0.000 2.994 0.000) 2.994 1.949 ( 0.000 0.339 0.000) 0.339 2.019 ( 0.000 3.313 0.000) 3.313 2.115 ( 0.000 0.533 0.000) 0.533 2.202 ( -0.000 1.330 0.000) 1.330 2.285 ( 0.000 -0.317 -0.000) 0.317 2.383 ( 0.000 4.019 0.000) 4.019 2.506 ( 0.000 0.759 0.000) 0.759 2.717 ( 0.000 2.833 0.000) 2.833 3.191 ( 0.000 6.866 0.000) 6.866 3.268 ( -0.000 2.226 0.000) 2.226 3.305 ( 0.000 -5.736 0.000) 5.736 3.453 ( 0.000 11.171 0.000) 11.171 3.477 ( 0.000 5.633 -0.000) 5.633 3.782 ( 0.000 7.738 -0.000) 7.738 4.103 ( 0.000 4.028 0.000) 4.028 4.297 ( -0.000 -4.377 -0.000) 4.377 4.334 ( 0.000 -6.762 0.000) 6.762 4.568 ( 0.000 -4.595 -0.000) 4.595 4.631 ( -0.000 5.668 0.000) 5.668 4.799 ( 0.000 -2.952 0.000) 2.952 4.903 ( 0.000 -2.468 0.000) 2.468 5.186 ( 0.000 -3.383 0.000) 3.383 5.200 ( 0.000 0.358 0.000) 0.358 5.255 ( 0.000 4.578 0.000) 4.578 5.473 ( 0.000 -0.876 0.000) 0.876 5.589 ( 0.000 -1.932 0.000) 1.932 5.645 ( 0.000 -2.091 0.000) 2.091 5.740 ( 0.000 2.621 0.000) 2.621 5.816 ( 0.000 0.091 0.000) 0.091 6.019 ( 0.000 -1.076 0.000) 1.076 6.057 ( 0.000 -1.343 -0.000) 1.343 6.252 ( 0.000 2.857 0.000) 2.857 6.340 ( -0.000 -1.403 0.000) 1.403 6.354 ( 0.000 4.631 0.000) 4.631 6.555 ( -0.000 -0.044 0.000) 0.044 6.637 ( 0.000 0.327 0.000) 0.327 6.672 ( 0.000 -6.251 -0.000) 6.251 6.721 ( -0.000 -0.197 0.000) 0.197 6.864 ( 0.000 -0.309 0.000) 0.309 7.023 ( 0.000 4.277 0.000) 4.277 7.108 ( 0.000 -1.944 0.000) 1.944 7.231 ( 0.000 -1.580 -0.000) 1.580 7.415 ( 0.000 -0.288 0.000) 0.288 7.470 ( 0.000 -4.756 0.000) 4.756 7.564 ( 0.000 -4.808 0.000) 4.808 7.736 ( -0.000 -0.574 0.000) 0.574 7.835 ( 0.000 2.721 0.000) 2.721 7.848 ( 0.000 -1.129 -0.000) 1.129 8.082 ( 0.000 -3.277 0.000) 3.277 9.107 ( 0.000 2.518 0.000) 2.518 9.157 ( 0.000 1.111 0.000) 1.111 9.268 ( 0.000 2.502 0.000) 2.502 9.351 ( 0.000 1.143 0.000) 1.143 9.524 ( 0.000 -8.554 0.000) 8.554 9.613 ( 0.000 -7.587 0.000) 7.587 9.928 ( 0.000 -4.175 0.000) 4.175 10.000 ( 0.000 -0.599 0.000) 0.599 10.037 ( 0.000 4.043 0.000) 4.043 10.180 ( 0.000 0.788 0.000) 0.788 10.243 ( 0.000 -5.660 0.000) 5.660 10.461 ( 0.000 1.624 0.000) 1.624 10.631 ( 0.000 -5.611 0.000) 5.611 10.697 ( 0.000 -0.282 0.000) 0.282 10.859 ( 0.000 -1.859 0.000) 1.859 10.982 ( 0.000 5.864 0.000) 5.864 11.184 ( 0.000 -3.222 0.000) 3.222 11.315 ( 0.000 6.552 0.000) 6.552 11.390 ( 0.000 12.572 0.000) 12.572 11.525 ( 0.000 4.330 0.000) 4.330 12.466 ( 0.000 -0.260 0.000) 0.260 12.661 ( 0.000 -3.944 0.000) 3.944 12.740 ( 0.000 2.046 0.000) 2.046 12.764 ( 0.000 1.419 0.000) 1.419 13.437 ( 0.000 -0.685 0.000) 0.685 13.604 ( 0.000 1.340 0.000) 1.340 13.766 ( 0.000 -8.133 0.000) 8.133 13.920 ( 0.000 -2.239 0.000) 2.239 14.961 ( 0.000 3.566 0.000) 3.566 15.033 ( 0.000 -3.142 -0.000) 3.142 15.047 ( -0.000 0.915 0.000) 0.915 15.208 ( -0.000 0.299 0.000) 0.299 15.265 ( 0.000 5.524 0.000) 5.524 15.356 ( 0.000 -1.720 0.000) 1.720 15.395 ( 0.000 3.306 0.000) 3.306 15.467 ( 0.000 6.875 0.000) 6.875 15.751 ( 0.000 -3.394 0.000) 3.394 15.858 ( 0.000 -1.900 0.000) 1.900 15.899 ( -0.000 1.515 0.000) 1.515 15.909 ( 0.000 -2.535 -0.000) 2.535 16.637 ( 0.000 -3.097 0.000) 3.097 16.759 ( 0.000 -2.441 0.000) 2.441 16.798 ( -0.000 -1.327 -0.000) 1.327 16.801 ( 0.000 -0.614 0.000) 0.614 17.549 ( 0.000 1.347 0.000) 1.347 17.641 ( 0.000 -0.722 0.000) 0.722 17.740 ( 0.000 -0.011 0.000) 0.011 17.773 ( 0.000 0.479 0.000) 0.479 21.958 ( 0.000 3.031 0.000) 3.031 22.051 ( -0.000 1.236 0.000) 1.236 22.167 ( 0.000 0.044 0.000) 0.044 22.251 ( 0.000 -1.148 0.000) 1.148 26.675 ( 0.000 0.617 0.000) 0.617 26.760 ( 0.000 1.909 0.000) 1.909 26.803 ( 0.000 -1.632 0.000) 1.632 26.858 ( 0.000 0.340 0.000) 0.340 28.468 ( 0.000 1.511 0.000) 1.511 28.511 ( 0.000 0.979 0.000) 0.979 28.542 ( 0.000 1.710 0.000) 1.710 28.594 ( 0.000 0.956 0.000) 0.956 29.373 ( 0.000 3.306 0.000) 3.306 29.605 ( 0.000 -1.288 0.000) 1.288 29.781 ( 0.000 1.831 0.000) 1.831 30.086 ( 0.000 -2.345 0.000) 2.345 30.758 ( 0.000 -1.056 0.000) 1.056 30.807 ( 0.000 -0.455 -0.000) 0.455 30.847 ( 0.000 1.291 0.000) 1.291 30.872 ( -0.000 -1.196 0.000) 1.196 31.008 ( 0.000 3.579 0.000) 3.579 31.509 ( 0.000 -2.772 -0.000) 2.772 31.964 ( -0.000 -1.751 0.000) 1.751 32.027 ( 0.000 -1.197 0.000) 1.197 32.398 ( 0.000 4.044 0.000) 4.044 32.779 ( 0.000 9.834 0.000) 9.834 33.192 ( 0.000 -3.984 0.000) 3.984 33.238 ( 0.000 3.440 -0.000) 3.440 33.346 ( 0.000 6.368 -0.000) 6.368 33.418 ( -0.000 -1.487 0.000) 1.487 34.121 ( 0.000 -11.057 0.000) 11.057 34.641 ( 0.000 -15.045 0.000) 15.045 ======================= Grid point 26 (13/88) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( 0.000 20.981 0.000) 20.981 1.145 ( 0.000 24.260 0.000) 24.260 1.454 ( 0.000 11.036 0.000) 11.036 1.767 ( 0.000 -3.917 0.000) 3.917 1.857 ( 0.000 7.706 0.000) 7.706 1.945 ( 0.000 2.514 0.000) 2.514 2.111 ( 0.000 -0.692 0.000) 0.692 2.175 ( 0.000 7.428 0.000) 7.428 2.326 ( 0.000 -11.166 0.000) 11.166 2.559 ( 0.000 -2.920 0.000) 2.920 2.562 ( 0.000 -9.549 0.000) 9.549 2.774 ( 0.000 -7.204 0.000) 7.204 3.001 ( 0.000 10.083 0.000) 10.083 3.283 ( 0.000 -2.264 0.000) 2.264 3.591 ( 0.000 5.992 0.000) 5.992 3.673 ( 0.000 -0.934 0.000) 0.934 3.758 ( 0.000 -4.300 0.000) 4.300 3.948 ( 0.000 -1.867 0.000) 1.867 4.036 ( 0.000 -3.726 0.000) 3.726 4.115 ( 0.000 -1.017 0.000) 1.017 4.130 ( 0.000 -0.065 0.000) 0.065 4.210 ( 0.000 -4.787 0.000) 4.787 4.455 ( 0.000 -0.096 0.000) 0.096 4.465 ( 0.000 1.302 0.000) 1.302 4.511 ( 0.000 10.502 0.000) 10.502 4.546 ( 0.000 6.024 0.000) 6.024 4.691 ( 0.000 3.360 0.000) 3.360 4.907 ( 0.000 7.821 0.000) 7.821 4.982 ( 0.000 6.139 0.000) 6.139 5.052 ( 0.000 4.622 0.000) 4.622 5.086 ( 0.000 2.739 0.000) 2.739 5.169 ( 0.000 -5.974 0.000) 5.974 5.407 ( 0.000 2.040 0.000) 2.040 5.493 ( 0.000 -9.291 0.000) 9.291 5.608 ( 0.000 -3.545 0.000) 3.545 5.699 ( 0.000 -7.074 0.000) 7.074 5.922 ( 0.000 7.816 0.000) 7.816 6.244 ( 0.000 -5.303 0.000) 5.303 6.409 ( 0.000 9.080 0.000) 9.080 6.579 ( 0.000 1.004 0.000) 1.004 6.811 ( 0.000 4.674 0.000) 4.674 7.076 ( 0.000 -3.768 0.000) 3.768 7.192 ( 0.000 -6.575 0.000) 6.575 7.228 ( 0.000 -3.719 0.000) 3.719 7.318 ( 0.000 7.225 0.000) 7.225 7.599 ( 0.000 -8.728 0.000) 8.728 7.750 ( 0.000 7.580 0.000) 7.580 7.928 ( 0.000 13.335 0.000) 13.335 8.012 ( 0.000 -3.182 0.000) 3.182 8.152 ( 0.000 -6.294 0.000) 6.294 8.257 ( 0.000 -5.709 0.000) 5.709 8.799 ( 0.000 -15.686 0.000) 15.686 9.073 ( 0.000 -4.185 0.000) 4.185 9.167 ( 0.000 -7.618 0.000) 7.618 9.335 ( 0.000 0.877 0.000) 0.877 9.400 ( 0.000 -3.827 0.000) 3.827 9.573 ( 0.000 -0.365 0.000) 0.365 9.637 ( 0.000 -3.913 0.000) 3.913 9.757 ( 0.000 2.601 0.000) 2.601 9.933 ( 0.000 -4.766 0.000) 4.766 10.043 ( 0.000 8.694 0.000) 8.694 10.242 ( 0.000 8.097 0.000) 8.097 10.411 ( 0.000 -6.363 0.000) 6.363 10.558 ( 0.000 -5.373 0.000) 5.373 10.882 ( 0.000 8.268 0.000) 8.268 10.999 ( 0.000 1.541 0.000) 1.541 11.124 ( 0.000 2.114 0.000) 2.114 11.154 ( 0.000 0.710 0.000) 0.710 11.229 ( 0.000 0.027 0.000) 0.027 11.422 ( 0.000 5.074 0.000) 5.074 11.763 ( 0.000 7.562 0.000) 7.562 11.835 ( 0.000 -7.080 0.000) 7.080 12.411 ( 0.000 4.644 0.000) 4.644 12.468 ( 0.000 2.316 0.000) 2.316 12.678 ( 0.000 -0.802 0.000) 0.802 12.743 ( 0.000 -3.933 0.000) 3.933 13.780 ( 0.000 1.814 0.000) 1.814 13.970 ( 0.000 -6.604 0.000) 6.604 13.976 ( 0.000 3.344 0.000) 3.344 14.151 ( 0.000 -2.897 0.000) 2.897 14.825 ( 0.000 -2.896 0.000) 2.896 14.929 ( 0.000 -2.877 0.000) 2.877 15.099 ( 0.000 2.209 0.000) 2.209 15.114 ( 0.000 1.695 0.000) 1.695 15.204 ( 0.000 -4.504 0.000) 4.504 15.253 ( 0.000 -1.579 0.000) 1.579 15.305 ( 0.000 0.214 0.000) 0.214 15.343 ( 0.000 -2.046 0.000) 2.046 15.719 ( 0.000 3.879 0.000) 3.879 15.792 ( 0.000 2.270 0.000) 2.270 16.131 ( 0.000 0.999 0.000) 0.999 16.181 ( 0.000 -1.412 0.000) 1.412 16.442 ( 0.000 3.552 0.000) 3.552 16.561 ( 0.000 -2.748 0.000) 2.748 16.726 ( 0.000 -2.045 0.000) 2.045 16.807 ( 0.000 -6.147 0.000) 6.147 17.593 ( 0.000 4.224 0.000) 4.224 17.802 ( 0.000 -5.244 0.000) 5.244 17.818 ( 0.000 4.622 0.000) 4.622 17.956 ( 0.000 -1.699 0.000) 1.699 22.003 ( 0.000 10.017 0.000) 10.017 22.073 ( 0.000 3.337 0.000) 3.337 22.467 ( 0.000 0.239 0.000) 0.239 22.578 ( 0.000 -2.514 0.000) 2.514 26.796 ( 0.000 0.203 0.000) 0.203 26.823 ( 0.000 -0.701 0.000) 0.701 27.101 ( 0.000 7.507 0.000) 7.507 27.398 ( 0.000 -6.025 0.000) 6.025 28.437 ( 0.000 0.040 0.000) 0.040 28.469 ( 0.000 -0.906 0.000) 0.906 28.681 ( 0.000 3.654 0.000) 3.654 28.805 ( 0.000 -2.285 0.000) 2.285 29.410 ( 0.000 4.653 0.000) 4.653 29.643 ( 0.000 -5.889 0.000) 5.889 29.802 ( 0.000 3.106 0.000) 3.106 29.945 ( 0.000 -2.941 0.000) 2.941 30.577 ( 0.000 1.499 0.000) 1.499 30.600 ( 0.000 0.846 0.000) 0.846 30.632 ( 0.000 -0.432 0.000) 0.432 30.662 ( 0.000 -1.667 0.000) 1.667 30.793 ( 0.000 2.481 0.000) 2.481 30.948 ( 0.000 -4.173 0.000) 4.173 31.124 ( 0.000 0.548 0.000) 0.548 31.137 ( 0.000 0.217 0.000) 0.217 32.106 ( 0.000 1.057 0.000) 1.057 32.165 ( 0.000 -1.481 0.000) 1.481 32.438 ( 0.000 2.035 0.000) 2.035 32.675 ( 0.000 -8.820 0.000) 8.820 34.084 ( 0.000 2.405 0.000) 2.405 34.178 ( 0.000 -1.760 0.000) 1.760 34.365 ( 0.000 7.747 0.000) 7.747 34.710 ( 0.000 -8.427 0.000) 8.427 ======================= Grid point 27 (14/88) ======================= q-point: ( 0.10 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( 6.684 18.803 6.601) 21.019 1.198 ( 5.620 19.829 1.191) 20.645 1.521 ( 5.673 3.961 1.579) 7.097 1.819 ( 2.523 -3.961 2.850) 5.493 1.895 ( 1.535 4.258 2.422) 5.133 2.027 ( 7.499 2.271 -0.801) 7.876 2.187 ( 6.148 6.605 -5.770) 10.711 2.256 ( 12.496 -0.389 0.380) 12.508 2.400 ( 5.035 -5.360 -0.829) 7.401 2.553 ( -0.582 -7.781 4.316) 8.917 2.584 ( 1.820 -3.739 -1.121) 4.307 2.745 ( -3.689 -6.385 3.201) 8.039 3.026 ( 2.918 9.432 1.021) 9.926 3.289 ( -0.053 -0.956 -0.106) 0.963 3.596 ( 1.735 8.812 -3.508) 9.642 3.703 ( 3.520 2.068 1.251) 4.270 3.829 ( 6.603 -4.212 1.373) 7.951 3.958 ( 0.363 -2.659 -2.453) 3.636 4.039 ( 4.637 -0.493 -5.013) 6.847 4.161 ( 2.603 1.050 0.775) 2.912 4.212 ( 0.952 -2.119 3.653) 4.329 4.304 ( 3.193 -3.003 2.909) 5.260 4.331 ( 2.983 4.331 1.258) 5.407 4.469 ( 4.907 6.052 -3.619) 8.591 4.606 ( 8.124 3.312 2.841) 9.221 4.697 ( 9.630 -0.828 -0.872) 9.705 4.789 ( 5.612 -0.606 -6.673) 8.741 5.018 ( -0.401 0.393 -0.700) 0.897 5.046 ( 11.335 1.975 -2.562) 11.788 5.077 ( 10.532 2.822 2.613) 11.212 5.179 ( 5.730 2.142 7.933) 10.018 5.221 ( 4.041 1.817 1.350) 4.632 5.391 ( -1.785 -4.541 -2.902) 5.677 5.461 ( 0.979 -4.264 -3.102) 5.363 5.626 ( 4.727 -1.452 2.703) 5.635 5.767 ( 6.012 -6.555 -0.426) 8.905 5.990 ( 4.961 5.543 2.631) 7.890 6.206 ( -1.820 -3.520 -1.938) 4.411 6.494 ( 6.474 8.783 3.384) 11.424 6.598 ( 0.315 3.381 1.406) 3.676 6.787 ( -3.026 6.605 2.919) 7.829 7.104 ( 2.492 -2.995 -4.084) 5.645 7.160 ( -6.897 -0.445 2.743) 7.436 7.217 ( 2.374 -9.100 1.636) 9.545 7.359 ( 1.355 2.519 3.279) 4.351 7.533 ( -6.855 -3.450 1.829) 7.889 7.746 ( -1.176 2.366 -1.174) 2.891 7.841 ( -3.260 9.278 -8.206) 12.808 7.946 ( -3.817 -2.431 -3.480) 5.709 8.156 ( -1.784 -9.622 1.329) 9.876 8.297 ( 0.239 -4.282 3.964) 5.840 8.650 ( -11.315 -11.935 -5.567) 17.363 9.088 ( 1.785 -2.586 0.733) 3.227 9.202 ( 1.219 -7.409 3.290) 8.198 9.324 ( -0.719 -0.579 -0.683) 1.148 9.362 ( -1.323 -3.197 -4.255) 5.484 9.572 ( -2.214 -1.379 4.087) 4.848 9.608 ( -2.030 -3.388 -1.721) 4.308 9.760 ( -0.614 2.512 1.887) 3.202 9.905 ( -0.962 -0.363 -1.881) 2.144 10.083 ( 1.765 3.239 3.292) 4.944 10.218 ( -1.404 6.083 -2.623) 6.771 10.424 ( -0.617 -3.937 2.666) 4.795 10.550 ( -1.002 -6.238 -1.125) 6.417 10.827 ( -5.121 8.153 -0.211) 9.631 10.951 ( -3.545 2.616 -0.835) 4.484 11.043 ( -2.663 -1.505 -1.571) 3.438 11.082 ( -7.195 -2.621 -0.502) 7.674 11.285 ( 6.627 5.690 -0.805) 8.771 11.517 ( 3.587 6.002 3.729) 7.924 11.706 ( -7.215 8.501 4.413) 11.992 11.800 ( -2.823 -4.474 -2.337) 5.783 12.422 ( 0.319 3.191 -0.958) 3.347 12.481 ( 3.481 2.186 -0.914) 4.211 12.723 ( 3.353 -1.639 -0.276) 3.742 12.733 ( -0.849 -3.120 -0.198) 3.239 13.769 ( -1.752 1.485 1.554) 2.772 13.891 ( -7.183 1.533 -1.140) 7.433 13.930 ( -4.023 -4.440 -2.386) 6.449 14.030 ( -9.719 -3.045 0.890) 10.224 14.797 ( -1.116 -0.210 -1.626) 1.983 14.955 ( 0.666 -4.968 2.223) 5.483 15.061 ( -2.524 1.020 -2.005) 3.381 15.137 ( 2.323 0.999 1.167) 2.785 15.199 ( -0.907 -0.229 -4.317) 4.417 15.270 ( 5.354 -3.469 1.684) 6.598 15.359 ( 2.706 0.369 2.303) 3.572 15.378 ( 3.316 -0.792 -1.559) 3.749 15.706 ( -0.233 4.238 -0.629) 4.291 15.769 ( -1.039 2.596 -1.416) 3.134 16.124 ( -1.700 5.251 1.340) 5.680 16.244 ( 5.666 -0.552 1.029) 5.785 16.436 ( 0.099 4.627 -2.325) 5.180 16.540 ( -8.738 -1.341 1.765) 9.015 16.657 ( 3.719 -3.499 -0.248) 5.112 16.813 ( 0.242 -7.063 -5.891) 9.200 17.585 ( -0.655 3.941 0.595) 4.039 17.760 ( -2.054 1.399 -1.855) 3.101 17.806 ( -2.261 -0.886 1.075) 2.656 17.946 ( -1.457 -1.849 0.733) 2.465 21.996 ( -1.266 9.619 0.715) 9.728 22.046 ( -1.262 6.047 -0.381) 6.189 22.432 ( -4.013 -0.494 0.842) 4.130 22.532 ( -3.745 -2.982 -0.032) 4.787 26.800 ( -0.117 -0.222 0.699) 0.742 26.814 ( -0.926 -0.463 0.269) 1.069 27.056 ( -4.020 5.742 -0.086) 7.010 27.229 ( -11.720 -0.737 -1.342) 11.820 28.437 ( -0.065 0.134 0.119) 0.190 28.471 ( 0.324 -0.925 -0.356) 1.043 28.659 ( -1.404 2.793 -0.714) 3.207 28.713 ( -3.365 0.590 -1.455) 3.713 29.465 ( -6.608 2.788 -1.781) 7.390 29.622 ( 0.830 -4.813 6.553) 8.173 29.930 ( 5.153 -0.270 0.897) 5.238 30.000 ( 8.517 -2.813 1.671) 9.124 30.631 ( 3.633 0.489 -0.354) 3.683 30.656 ( 2.498 0.144 1.224) 2.785 30.688 ( 4.262 1.130 0.738) 4.471 30.747 ( 9.952 -0.347 0.517) 9.972 31.040 ( 13.429 -0.030 -3.796) 13.955 31.078 ( -3.443 0.865 1.692) 3.932 31.123 ( -0.494 -1.172 0.311) 1.309 31.305 ( 38.241 -17.010 -1.281) 41.873 32.128 ( 3.203 1.130 -1.302) 3.638 32.204 ( 1.282 -2.301 7.365) 7.822 32.483 ( 4.894 2.228 -0.063) 5.377 32.712 ( 3.543 -8.048 0.928) 8.842 34.029 ( -5.669 2.668 0.698) 6.304 34.143 ( -3.844 -2.335 0.518) 4.528 34.294 ( -6.298 7.423 -1.783) 9.897 34.623 ( -7.446 -7.797 -1.649) 10.907 ======================= Grid point 28 (15/88) ======================= q-point: ( 0.20 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( 11.903 13.429 4.886) 18.598 1.409 ( 12.270 11.841 6.902) 18.395 1.652 ( 5.991 -3.535 0.127) 6.957 1.872 ( 1.877 6.404 -3.612) 7.588 1.946 ( 2.311 -7.517 4.897) 9.264 2.110 ( 2.969 -2.236 -0.734) 3.789 2.303 ( 4.547 0.575 -7.008) 8.374 2.373 ( 0.274 -1.601 -6.778) 6.970 2.460 ( 5.652 2.894 -4.081) 7.548 2.600 ( -3.771 -4.224 8.065) 9.854 2.704 ( 5.903 -2.077 3.563) 7.201 2.750 ( 7.907 -5.655 3.101) 10.204 3.140 ( 6.674 7.044 2.898) 10.127 3.273 ( 0.405 4.582 -1.371) 4.800 3.628 ( 2.741 9.329 -0.716) 9.750 3.795 ( 1.886 -0.038 -7.774) 7.999 3.817 ( -0.849 2.549 1.969) 3.331 4.005 ( 2.426 -1.662 -5.925) 6.615 4.062 ( 5.256 -0.067 1.982) 5.618 4.220 ( 3.101 5.140 4.343) 7.409 4.352 ( 6.999 4.879 2.316) 8.841 4.433 ( 5.888 -1.079 2.427) 6.460 4.473 ( 11.119 -3.160 5.608) 12.848 4.656 ( 2.562 -0.695 -3.340) 4.267 4.796 ( 17.191 3.908 5.568) 18.488 4.832 ( 5.710 1.121 -6.306) 8.581 4.950 ( 15.520 -2.937 -2.849) 16.050 5.082 ( 7.499 2.921 1.043) 8.115 5.149 ( 4.369 1.020 -8.482) 9.596 5.264 ( 9.431 -3.087 -2.450) 10.221 5.276 ( 7.131 -2.859 -2.888) 8.208 5.323 ( 1.360 -3.392 3.227) 4.875 5.483 ( 10.696 0.638 9.111) 14.065 5.567 ( 6.174 -6.545 2.312) 9.290 5.813 ( 9.131 4.075 5.071) 11.212 5.948 ( 11.255 -2.843 1.574) 11.714 6.147 ( 10.680 1.936 0.729) 10.879 6.192 ( 4.240 -1.433 -4.149) 6.103 6.605 ( 0.483 4.260 1.422) 4.517 6.655 ( 4.256 4.047 2.250) 6.289 6.755 ( -2.904 10.375 5.575) 12.131 7.012 ( -9.894 -0.545 -0.736) 9.936 7.059 ( -3.330 -2.099 -3.942) 5.571 7.281 ( 1.468 -4.440 -0.471) 4.700 7.345 ( -3.730 -4.463 -0.040) 5.817 7.478 ( -0.365 -0.652 4.285) 4.350 7.628 ( -5.625 -1.730 -2.132) 6.259 7.782 ( -0.423 5.560 -2.101) 5.959 7.802 ( -7.024 -6.743 -7.750) 12.444 8.075 ( -6.354 -7.783 -0.475) 10.059 8.261 ( -6.887 -2.886 -1.119) 7.551 8.393 ( -9.246 -6.568 -0.220) 11.343 9.142 ( 2.466 -0.119 0.363) 2.495 9.241 ( -0.233 -5.570 3.354) 6.506 9.289 ( -0.691 -1.946 -4.464) 4.918 9.321 ( 0.188 -3.485 -1.529) 3.811 9.540 ( -3.375 -1.929 -0.938) 3.998 9.548 ( -3.578 -2.456 3.575) 5.623 9.766 ( 0.410 2.222 0.483) 2.310 9.891 ( 0.514 0.183 0.174) 0.573 10.140 ( -0.139 -0.550 4.756) 4.790 10.150 ( -1.977 2.418 -4.032) 5.100 10.403 ( -3.838 -1.923 -0.227) 4.299 10.473 ( -4.666 -3.606 0.713) 5.940 10.737 ( -3.590 7.261 -0.611) 8.123 10.891 ( -3.538 0.954 -0.078) 3.665 10.956 ( -3.420 -1.745 0.915) 3.947 11.030 ( 1.488 -2.896 -3.425) 4.726 11.362 ( 1.393 6.989 -1.813) 7.353 11.574 ( -1.437 6.440 3.476) 7.458 11.592 ( -6.904 8.361 4.517) 11.747 11.711 ( -3.989 0.092 0.288) 4.000 12.431 ( 1.739 1.750 -0.751) 2.580 12.547 ( 2.588 -1.272 -0.757) 2.982 12.712 ( -0.626 -0.156 0.514) 0.825 12.774 ( 2.119 -1.290 -1.046) 2.692 13.724 ( -7.252 -0.707 -2.128) 7.591 13.741 ( -4.270 2.903 2.774) 5.861 13.779 ( -6.052 -3.631 -2.563) 7.509 13.908 ( -4.482 -5.743 0.929) 7.344 14.774 ( 0.556 1.643 -1.773) 2.480 14.958 ( 0.507 -7.053 -2.608) 7.537 15.069 ( 2.639 2.639 1.857) 4.169 15.136 ( 0.979 1.563 -5.165) 5.484 15.226 ( 2.606 1.215 2.162) 3.597 15.350 ( 1.185 -2.487 1.910) 3.352 15.423 ( 1.936 0.381 2.378) 3.090 15.465 ( 6.249 -0.607 -0.740) 6.322 15.714 ( 0.418 3.695 0.483) 3.750 15.747 ( 0.118 3.238 -1.129) 3.431 16.100 ( -3.814 4.776 4.514) 7.598 16.215 ( -8.765 0.720 -3.011) 9.295 16.466 ( 4.131 0.363 -3.077) 5.164 16.494 ( 4.760 4.472 2.875) 7.136 16.718 ( -0.907 -6.474 -0.015) 6.537 16.773 ( 2.772 -5.672 -3.640) 7.287 17.581 ( -0.359 3.108 0.457) 3.162 17.717 ( -1.086 1.532 -1.005) 2.130 17.758 ( -2.907 -0.648 0.392) 3.004 17.909 ( -2.759 -2.206 0.364) 3.551 21.972 ( -1.069 8.456 0.456) 8.535 22.045 ( 0.658 7.381 0.604) 7.435 22.339 ( -5.668 -1.814 0.668) 5.989 22.451 ( -4.476 -4.086 -0.505) 6.081 26.786 ( -1.675 0.251 0.251) 1.712 26.802 ( -0.803 -0.702 0.395) 1.137 26.971 ( -4.380 2.737 0.106) 5.166 27.024 ( -8.299 0.865 -0.500) 8.359 28.439 ( 0.366 0.577 -0.002) 0.684 28.476 ( 0.384 -0.828 0.050) 0.914 28.638 ( -0.686 2.110 0.455) 2.265 28.670 ( -1.095 0.694 -0.423) 1.364 29.363 ( -1.590 5.138 -1.556) 5.599 29.583 ( -3.761 -4.056 -1.412) 5.708 30.032 ( 2.060 1.703 4.341) 5.098 30.145 ( 2.978 -3.335 0.744) 4.533 30.682 ( 1.384 -0.321 1.763) 2.264 30.704 ( 1.362 -1.090 1.184) 2.108 30.782 ( 5.006 2.774 -4.576) 7.328 30.931 ( 9.189 -1.073 -3.636) 9.940 31.075 ( -0.081 -2.380 2.911) 3.761 31.083 ( 0.992 -1.574 -1.010) 2.117 31.359 ( 19.952 7.328 -2.710) 21.428 31.859 ( 16.282 -14.708 -2.924) 22.135 32.203 ( 5.656 1.377 -2.174) 6.214 32.387 ( 10.306 -8.527 10.036) 16.722 32.636 ( 10.636 1.143 0.819) 10.729 32.835 ( 8.139 -5.751 1.526) 10.082 33.893 ( -8.823 2.773 0.897) 9.291 34.041 ( -7.112 -3.855 -0.025) 8.090 34.118 ( -9.401 6.096 -1.590) 11.317 34.445 ( -9.253 -8.925 0.216) 12.858 ======================= Grid point 29 (16/88) ======================= q-point: ( 0.30 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( 13.037 6.355 1.928) 14.631 1.717 ( 10.618 6.388 4.537) 13.196 1.739 ( 5.693 -4.463 0.073) 7.234 1.863 ( 3.002 4.347 -6.428) 8.320 2.026 ( 0.286 -4.278 3.020) 5.244 2.144 ( 0.990 -0.819 -1.120) 1.704 2.247 ( 0.352 0.893 -7.322) 7.385 2.345 ( 1.123 -2.927 -4.658) 5.615 2.415 ( -4.710 -1.430 -0.293) 4.931 2.637 ( 0.651 1.778 3.233) 3.747 2.734 ( -3.609 -3.676 2.711) 5.821 2.953 ( 7.183 -6.259 1.112) 9.592 3.289 ( 5.405 7.101 3.315) 9.520 3.342 ( 4.055 11.202 1.829) 12.053 3.679 ( 3.411 3.126 -3.389) 5.735 3.697 ( 0.727 10.056 -2.880) 10.485 3.906 ( 2.195 5.402 3.828) 6.975 4.068 ( 5.606 -0.576 -0.727) 5.683 4.140 ( 1.726 -1.518 1.185) 2.586 4.328 ( 2.252 7.531 -1.330) 7.972 4.401 ( 0.666 -4.309 -3.128) 5.366 4.537 ( 4.695 1.052 -0.900) 4.895 4.642 ( 4.084 -4.145 0.188) 5.823 4.745 ( 4.394 -5.137 3.727) 7.719 4.913 ( 7.719 3.801 -0.521) 8.619 5.121 ( 9.350 1.470 0.458) 9.476 5.180 ( 4.844 -2.264 0.967) 5.434 5.208 ( 8.845 -1.233 -1.765) 9.103 5.255 ( 14.797 -0.877 0.412) 14.829 5.352 ( 2.973 -0.795 0.760) 3.170 5.486 ( 15.026 -0.055 -0.339) 15.030 5.592 ( 20.240 0.044 -5.101) 20.873 5.746 ( 10.812 -4.610 5.018) 12.780 5.759 ( 11.160 -3.795 3.640) 12.337 5.968 ( 5.362 6.348 2.582) 8.701 6.145 ( 7.218 0.059 2.019) 7.495 6.312 ( 7.733 2.846 0.536) 8.257 6.375 ( 8.170 1.411 -0.972) 8.347 6.573 ( -4.453 5.626 1.646) 7.362 6.700 ( -2.004 -3.675 -2.088) 4.678 6.749 ( 1.477 -1.587 -4.535) 5.027 6.839 ( -1.068 1.003 2.506) 2.903 6.967 ( -5.903 1.689 3.691) 7.164 7.243 ( -2.857 4.379 -2.992) 6.024 7.287 ( -3.695 -6.450 1.920) 7.677 7.483 ( -1.125 -3.599 -0.961) 3.891 7.555 ( -3.173 -5.861 0.618) 6.693 7.584 ( -6.564 -4.750 -7.518) 11.053 7.786 ( 0.468 2.628 2.595) 3.723 7.928 ( -8.336 -3.689 0.494) 9.130 8.090 ( -6.416 1.000 -3.451) 7.354 8.242 ( -8.796 -6.041 -0.097) 10.671 9.167 ( 0.577 2.439 -0.828) 2.639 9.240 ( -0.054 -1.544 -3.802) 4.104 9.258 ( -0.497 -2.154 1.327) 2.578 9.329 ( 1.244 -4.169 -0.292) 4.361 9.473 ( -2.901 -2.759 -0.544) 4.041 9.504 ( -3.746 -2.442 3.336) 5.579 9.788 ( 1.450 0.952 0.641) 1.849 9.928 ( 2.805 -1.299 0.571) 3.143 10.076 ( -2.350 2.566 -1.124) 3.656 10.169 ( -0.561 -5.087 2.150) 5.551 10.290 ( -4.975 -0.450 -1.940) 5.359 10.422 ( -3.496 -4.115 3.076) 6.214 10.667 ( -1.839 5.303 -3.351) 6.536 10.800 ( -4.945 -1.674 0.118) 5.222 10.939 ( -0.445 2.294 1.131) 2.596 11.047 ( 2.081 -2.322 -2.119) 3.769 11.301 ( -3.927 7.877 -4.447) 9.861 11.488 ( -4.109 5.878 -0.279) 7.178 11.576 ( -1.871 5.924 3.392) 7.078 11.681 ( -2.936 2.769 6.337) 7.513 12.468 ( 1.884 0.413 0.000) 1.928 12.555 ( -0.212 -3.074 -0.739) 3.169 12.733 ( 1.406 1.887 1.648) 2.873 12.790 ( 0.745 -0.318 -1.442) 1.654 13.571 ( -5.645 -0.376 -2.921) 6.367 13.652 ( -3.800 -2.099 -0.427) 4.362 13.719 ( -2.603 -1.288 1.198) 3.141 13.853 ( -2.072 -5.432 1.017) 5.902 14.802 ( 3.187 1.329 -0.037) 3.453 14.969 ( 3.358 -5.482 -2.682) 6.966 15.108 ( 1.352 3.277 -3.617) 5.065 15.161 ( 2.565 1.586 2.469) 3.897 15.279 ( 0.753 2.002 2.303) 3.143 15.369 ( 0.305 1.874 -0.175) 1.907 15.478 ( 1.546 -0.028 1.955) 2.493 15.577 ( 6.203 -2.519 -0.984) 6.767 15.704 ( -1.574 5.690 0.074) 5.905 15.753 ( 0.189 2.216 0.410) 2.262 15.992 ( -8.938 0.253 -1.071) 9.006 16.058 ( -5.038 -0.996 1.452) 5.336 16.527 ( 3.853 0.875 -0.018) 3.951 16.615 ( 3.543 2.608 -0.460) 4.423 16.694 ( 0.754 -5.324 0.734) 5.427 16.807 ( 1.480 -4.269 -1.409) 4.733 17.576 ( -0.310 2.386 0.073) 2.407 17.686 ( -2.215 -2.495 -0.046) 3.336 17.727 ( 0.012 2.749 0.051) 2.750 17.852 ( -2.960 -1.918 -0.263) 3.537 21.972 ( 0.692 6.634 0.317) 6.678 22.070 ( 1.403 6.694 0.314) 6.846 22.243 ( -4.732 -3.178 0.869) 5.766 22.353 ( -4.812 -3.728 -0.963) 6.163 26.749 ( -2.167 0.857 0.093) 2.332 26.786 ( -0.797 -0.913 -0.231) 1.234 26.887 ( -4.416 1.428 -0.108) 4.643 26.910 ( -3.259 0.455 -0.001) 3.291 28.455 ( 1.119 1.259 0.401) 1.731 28.491 ( 0.897 -0.158 0.804) 1.215 28.622 ( -1.079 1.971 -0.514) 2.305 28.651 ( -0.996 0.374 0.043) 1.065 29.381 ( 3.065 4.155 1.430) 5.357 29.508 ( -2.003 -0.908 -2.410) 3.262 30.065 ( -2.080 0.474 3.397) 4.012 30.108 ( -5.218 -1.693 -1.789) 5.770 30.714 ( 0.769 -0.639 1.393) 1.714 30.740 ( 1.874 -1.019 0.071) 2.135 30.809 ( 2.003 2.693 -2.968) 4.480 31.002 ( -3.542 -3.753 -2.780) 5.861 31.043 ( 6.452 2.271 -4.721) 8.311 31.234 ( 7.856 -3.955 2.373) 9.110 31.681 ( 15.139 7.349 -4.119) 17.325 32.003 ( 3.034 -6.455 -0.212) 7.136 32.319 ( 6.479 4.921 2.456) 8.498 32.659 ( 11.135 -4.781 3.620) 12.647 32.868 ( 11.288 -0.809 0.938) 11.356 33.024 ( 9.527 -1.975 0.152) 9.731 33.716 ( -9.811 2.721 0.473) 10.192 33.849 ( -11.543 2.019 -0.646) 11.736 33.967 ( -5.439 -4.384 -0.494) 7.004 34.301 ( -6.647 -13.886 3.266) 15.737 ======================= Grid point 30 (17/88) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( 4.307 0.578 -1.787) 4.699 1.780 ( 4.162 -0.838 -1.097) 4.385 1.890 ( 4.744 3.716 -3.353) 6.896 1.982 ( 7.221 0.623 2.679) 7.727 2.019 ( -0.265 1.911 0.925) 2.139 2.139 ( 0.262 2.862 -2.652) 3.911 2.194 ( -2.825 -3.565 -1.490) 4.787 2.292 ( 0.312 -2.793 -2.136) 3.530 2.439 ( 2.787 2.331 0.722) 3.705 2.628 ( -3.473 7.581 1.579) 8.487 2.670 ( -1.661 -6.703 -0.791) 6.951 3.058 ( 2.090 -10.771 3.226) 11.436 3.368 ( 0.315 13.330 0.416) 13.341 3.404 ( 2.698 10.652 3.304) 11.475 3.667 ( 1.927 11.125 -3.176) 11.729 3.750 ( -3.756 4.798 -0.820) 6.148 3.977 ( 6.206 1.539 3.035) 7.078 4.096 ( -5.468 6.931 -4.091) 9.730 4.177 ( 5.698 -1.636 0.103) 5.929 4.257 ( 0.315 -1.919 -1.578) 2.504 4.488 ( -0.181 -4.915 -0.766) 4.978 4.583 ( 1.665 -4.494 -2.478) 5.395 4.708 ( 6.504 -0.385 -1.054) 6.600 4.822 ( 2.151 -4.988 2.228) 5.872 5.056 ( 5.186 2.567 2.320) 6.235 5.187 ( 0.847 1.214 1.200) 1.906 5.324 ( 6.274 2.577 -2.770) 7.327 5.411 ( 7.808 -3.415 -1.431) 8.641 5.441 ( 8.266 -2.699 5.346) 10.208 5.469 ( 4.726 -1.873 2.093) 5.498 5.747 ( 9.896 3.690 -1.051) 10.614 5.860 ( 8.764 1.162 -2.655) 9.231 5.893 ( 1.893 -2.359 -0.333) 3.043 5.977 ( 6.431 -5.864 -0.506) 8.718 6.139 ( 10.915 6.852 1.995) 13.041 6.287 ( 6.437 0.842 -0.455) 6.508 6.395 ( 2.498 7.576 2.685) 8.417 6.413 ( 2.794 -2.943 1.783) 4.432 6.577 ( -2.148 -1.819 0.503) 2.859 6.637 ( 2.987 -4.710 -3.528) 6.599 6.809 ( 1.344 0.609 -2.412) 2.827 6.835 ( -1.540 -2.807 1.831) 3.688 6.978 ( 2.918 1.442 7.547) 8.219 7.150 ( -4.353 1.103 -1.246) 4.661 7.231 ( -3.688 1.253 2.102) 4.426 7.426 ( -3.391 -3.306 -6.203) 7.804 7.455 ( -1.427 -4.383 -0.104) 4.611 7.486 ( -3.743 -5.272 -2.510) 6.935 7.781 ( -3.242 0.212 1.616) 3.629 7.806 ( -4.114 0.572 1.849) 4.547 8.002 ( -0.656 -1.103 -1.266) 1.803 8.047 ( -9.125 -2.648 -2.790) 9.902 9.168 ( 0.034 3.263 -0.020) 3.263 9.215 ( 0.318 1.825 -2.309) 2.960 9.267 ( 0.930 -0.867 -0.003) 1.271 9.357 ( 1.365 -5.090 0.043) 5.270 9.411 ( -3.425 -0.960 0.669) 3.620 9.469 ( -1.975 -5.134 1.838) 5.800 9.826 ( 1.336 -0.596 1.177) 1.877 9.992 ( 2.954 -1.748 -1.035) 3.585 10.045 ( -0.213 0.397 0.792) 0.911 10.151 ( -1.570 -5.816 -1.272) 6.157 10.209 ( -2.421 1.051 0.062) 2.641 10.380 ( -2.830 -7.379 2.057) 8.166 10.622 ( -0.077 4.053 -2.685) 4.862 10.721 ( -3.416 -1.257 0.947) 3.761 10.935 ( -0.259 4.372 -0.640) 4.426 11.072 ( 1.292 -1.797 0.410) 2.251 11.189 ( -3.302 6.883 -3.837) 8.544 11.426 ( -1.694 1.962 -1.268) 2.885 11.580 ( 0.001 7.449 2.278) 7.790 11.664 ( -3.590 4.238 4.405) 7.089 12.484 ( 0.094 0.791 -0.577) 0.984 12.561 ( 0.779 -3.190 0.900) 3.405 12.772 ( 1.102 1.233 1.256) 2.076 12.785 ( 0.041 0.870 -1.286) 1.553 13.467 ( -2.941 0.132 -1.968) 3.541 13.604 ( -1.021 -4.958 -0.271) 5.070 13.675 ( -2.327 0.530 0.190) 2.394 13.838 ( -0.609 -5.158 1.012) 5.292 14.892 ( 5.191 0.907 1.633) 5.517 15.036 ( 3.255 -2.905 0.021) 4.363 15.108 ( 1.316 3.202 -1.788) 3.897 15.192 ( -0.238 3.561 -0.867) 3.673 15.301 ( -0.073 -0.380 2.601) 2.630 15.375 ( 0.762 3.326 -0.836) 3.513 15.492 ( -1.506 1.158 -0.025) 1.900 15.655 ( -3.024 8.287 0.422) 8.832 15.686 ( 6.094 -2.101 -2.989) 7.105 15.754 ( -0.493 -0.764 2.170) 2.353 15.865 ( -2.225 -1.589 -1.773) 3.259 15.969 ( -5.962 -3.302 2.416) 7.231 16.576 ( 0.733 -1.176 -0.416) 1.447 16.647 ( 2.070 -3.062 0.120) 3.698 16.747 ( 2.220 -0.332 1.003) 2.459 16.806 ( -0.322 -2.580 -1.013) 2.791 17.574 ( 0.058 1.668 0.041) 1.669 17.643 ( -1.879 -1.699 -0.121) 2.536 17.739 ( 0.673 1.467 0.232) 1.631 17.801 ( -1.909 -0.769 -0.398) 2.096 22.001 ( 2.028 4.435 0.154) 4.879 22.093 ( 0.396 5.395 -0.159) 5.412 22.178 ( -2.157 -3.585 0.275) 4.193 22.261 ( -3.929 -2.261 -0.129) 4.535 26.712 ( -1.507 1.281 -0.034) 1.978 26.772 ( -0.309 -1.400 -0.415) 1.493 26.823 ( -2.251 1.700 0.273) 2.834 26.869 ( -1.200 -0.257 -0.217) 1.246 28.485 ( 1.373 1.708 0.587) 2.269 28.517 ( 0.818 0.490 0.994) 1.377 28.596 ( -0.909 1.981 -0.720) 2.295 28.628 ( -1.082 0.449 -0.380) 1.231 29.458 ( 0.539 2.442 -0.574) 2.566 29.493 ( 3.587 1.157 2.610) 4.584 29.945 ( -7.211 0.918 -3.352) 8.005 30.042 ( -2.802 -2.623 1.669) 4.186 30.743 ( 0.974 0.181 0.826) 1.289 30.772 ( 1.898 -0.435 -0.767) 2.093 30.822 ( 0.830 0.270 -0.501) 1.006 30.908 ( -3.105 -3.075 -3.285) 5.467 31.108 ( 3.256 6.268 -2.307) 7.431 31.374 ( 4.704 -5.069 1.168) 7.014 31.869 ( 8.124 2.987 -3.417) 9.306 32.019 ( -0.878 -3.681 0.261) 3.793 32.468 ( 5.455 8.649 2.907) 10.631 32.877 ( 9.382 0.226 1.499) 9.504 33.045 ( 4.352 1.026 1.952) 4.879 33.187 ( 9.562 1.556 -2.588) 10.028 33.536 ( -8.868 3.812 0.474) 9.664 33.627 ( -10.603 4.948 0.046) 11.701 33.884 ( -2.648 -10.921 -0.789) 11.265 34.243 ( -2.598 -20.324 3.475) 20.782 ======================= Grid point 31 (18/88) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( 0.000 -0.050 0.000) 0.050 1.812 ( 0.000 -1.548 0.000) 1.548 1.955 ( 0.000 4.302 0.000) 4.302 1.975 ( -0.000 2.878 0.000) 2.878 2.090 ( 0.000 -2.089 0.000) 2.089 2.125 ( 0.000 5.986 0.000) 5.986 2.171 ( -0.000 -4.048 0.000) 4.048 2.294 ( 0.000 -0.222 0.000) 0.222 2.463 ( 0.000 2.241 0.000) 2.241 2.587 ( 0.000 8.974 0.000) 8.974 2.664 ( 0.000 -6.979 0.000) 6.979 3.090 ( 0.000 -12.304 -0.000) 12.304 3.408 ( 0.000 11.853 0.000) 11.853 3.422 ( -0.000 8.871 -0.000) 8.871 3.628 ( -0.000 6.577 0.000) 6.577 3.706 ( 0.000 14.079 0.000) 14.079 4.007 ( 0.000 13.184 0.000) 13.184 4.145 ( 0.000 -8.463 0.000) 8.463 4.189 ( -0.000 2.630 -0.000) 2.630 4.249 ( 0.000 -1.545 -0.000) 1.545 4.450 ( 0.000 -6.355 0.000) 6.355 4.590 ( 0.000 -9.153 0.000) 9.153 4.804 ( 0.000 1.701 0.000) 1.701 4.843 ( 0.000 -2.971 0.000) 2.971 5.129 ( 0.000 -0.540 0.000) 0.540 5.206 ( 0.000 -0.210 0.000) 0.210 5.358 ( 0.000 4.752 0.000) 4.752 5.458 ( 0.000 -0.793 0.000) 0.793 5.542 ( 0.000 -2.137 0.000) 2.137 5.573 ( 0.000 -4.264 -0.000) 4.264 5.815 ( 0.000 4.568 0.000) 4.568 5.852 ( 0.000 3.301 -0.000) 3.301 5.984 ( 0.000 -2.537 0.000) 2.537 6.006 ( 0.000 -3.474 -0.000) 3.474 6.301 ( 0.000 2.190 -0.000) 2.190 6.343 ( -0.000 1.894 0.000) 1.894 6.467 ( 0.000 4.503 0.000) 4.503 6.501 ( -0.000 -6.432 -0.000) 6.432 6.536 ( 0.000 -5.090 0.000) 5.090 6.613 ( -0.000 -0.294 -0.000) 0.294 6.786 ( 0.000 5.133 0.000) 5.133 6.871 ( 0.000 0.849 -0.000) 0.849 7.057 ( 0.000 -2.441 0.000) 2.441 7.089 ( 0.000 0.870 0.000) 0.870 7.206 ( -0.000 -0.243 -0.000) 0.243 7.341 ( 0.000 -6.776 0.000) 6.776 7.409 ( 0.000 -0.345 -0.000) 0.345 7.457 ( 0.000 -4.716 0.000) 4.716 7.746 ( -0.000 1.370 0.000) 1.370 7.816 ( 0.000 -1.802 0.000) 1.802 7.889 ( 0.000 2.532 0.000) 2.532 8.008 ( 0.000 -3.578 0.000) 3.578 9.168 ( 0.000 3.191 0.000) 3.191 9.211 ( 0.000 3.503 0.000) 3.503 9.285 ( 0.000 -1.015 0.000) 1.015 9.360 ( 0.000 -1.737 -0.000) 1.737 9.384 ( 0.000 -3.463 0.000) 3.463 9.458 ( 0.000 -6.272 0.000) 6.272 9.846 ( 0.000 -1.370 0.000) 1.370 10.002 ( 0.000 0.778 -0.000) 0.778 10.087 ( 0.000 -8.427 0.000) 8.427 10.103 ( -0.000 0.761 -0.000) 0.761 10.189 ( 0.000 0.646 0.000) 0.646 10.359 ( 0.000 -8.753 0.000) 8.753 10.614 ( 0.000 3.054 0.000) 3.054 10.690 ( 0.000 -0.409 0.000) 0.409 10.927 ( 0.000 5.363 -0.000) 5.363 11.097 ( 0.000 -4.687 -0.000) 4.687 11.130 ( 0.000 8.732 0.000) 8.732 11.404 ( 0.000 0.462 0.000) 0.462 11.602 ( 0.000 7.696 0.000) 7.696 11.633 ( -0.000 5.207 0.000) 5.207 12.480 ( 0.000 1.534 0.000) 1.534 12.577 ( 0.000 -3.774 0.000) 3.774 12.778 ( 0.000 1.492 0.000) 1.492 12.789 ( 0.000 0.958 0.000) 0.958 13.430 ( 0.000 0.441 0.000) 0.441 13.597 ( 0.000 -7.766 0.000) 7.766 13.649 ( 0.000 3.131 0.000) 3.131 13.837 ( 0.000 -5.203 0.000) 5.203 14.998 ( 0.000 -0.208 0.000) 0.208 15.027 ( -0.000 1.556 -0.000) 1.556 15.102 ( 0.000 4.549 0.000) 4.549 15.223 ( -0.000 1.972 -0.000) 1.972 15.297 ( 0.000 -3.559 0.000) 3.559 15.375 ( 0.000 1.132 0.000) 1.132 15.457 ( 0.000 5.314 0.000) 5.314 15.628 ( 0.000 8.189 0.000) 8.189 15.724 ( 0.000 1.375 -0.000) 1.375 15.786 ( 0.000 -5.685 0.000) 5.685 15.856 ( 0.000 -2.383 0.000) 2.383 15.891 ( 0.000 -2.544 0.000) 2.544 16.576 ( 0.000 -1.953 0.000) 1.953 16.675 ( 0.000 -4.989 0.000) 4.989 16.783 ( -0.000 -0.421 0.000) 0.421 16.786 ( 0.000 -0.668 0.000) 0.668 17.577 ( 0.000 1.157 0.000) 1.157 17.621 ( 0.000 -1.130 0.000) 1.130 17.748 ( 0.000 0.884 0.000) 0.884 17.779 ( 0.000 -0.028 0.000) 0.028 22.034 ( 0.000 3.950 0.000) 3.950 22.081 ( 0.000 1.470 0.000) 1.470 22.166 ( 0.000 -0.100 0.000) 0.100 22.217 ( 0.000 -2.169 0.000) 2.169 26.696 ( 0.000 1.440 0.000) 1.440 26.767 ( 0.000 -1.844 0.000) 1.844 26.803 ( 0.000 2.077 0.000) 2.077 26.857 ( 0.000 -0.470 0.000) 0.470 28.505 ( 0.000 1.802 0.000) 1.802 28.531 ( 0.000 0.702 0.000) 0.702 28.582 ( 0.000 2.012 0.000) 2.012 28.613 ( 0.000 0.667 0.000) 0.667 29.452 ( 0.000 4.013 0.000) 4.013 29.570 ( 0.000 -2.009 0.000) 2.009 29.836 ( 0.000 3.620 0.000) 3.620 30.018 ( 0.000 -4.217 0.000) 4.217 30.755 ( 0.000 0.650 0.000) 0.650 30.794 ( 0.000 -0.709 -0.000) 0.709 30.842 ( 0.000 -1.161 0.000) 1.161 30.843 ( -0.000 -1.433 -0.000) 1.433 31.130 ( 0.000 7.699 0.000) 7.699 31.425 ( 0.000 -5.416 -0.000) 5.416 31.946 ( -0.000 0.069 0.000) 0.069 31.996 ( 0.000 -1.747 -0.000) 1.747 32.538 ( 0.000 9.960 0.000) 9.960 33.018 ( -0.000 12.381 0.000) 12.381 33.052 ( 0.000 -10.181 0.000) 10.181 33.361 ( 0.000 -4.307 -0.000) 4.307 33.378 ( -0.000 10.424 0.000) 10.424 33.501 ( -0.000 8.972 0.000) 8.972 33.854 ( 0.000 -13.374 0.000) 13.374 34.237 ( 0.000 -23.124 0.000) 23.124 ======================= Grid point 39 (19/88) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( 0.000 -17.452 0.000) 17.452 1.290 ( 0.000 17.452 0.000) 17.452 1.569 ( 0.000 -16.662 0.000) 16.662 1.569 ( 0.000 16.662 0.000) 16.662 1.987 ( 0.000 -3.966 0.000) 3.966 1.987 ( 0.000 3.966 0.000) 3.966 2.154 ( 0.000 -7.391 0.000) 7.391 2.154 ( 0.000 7.391 0.000) 7.391 2.378 ( 0.000 -8.701 0.000) 8.701 2.378 ( 0.000 8.701 0.000) 8.701 2.599 ( 0.000 -7.764 0.000) 7.764 2.599 ( 0.000 7.764 0.000) 7.764 3.190 ( 0.000 -7.339 0.000) 7.339 3.190 ( 0.000 7.339 0.000) 7.339 3.665 ( 0.000 -0.428 0.000) 0.428 3.665 ( 0.000 0.428 0.000) 0.428 3.790 ( 0.000 -9.182 0.000) 9.182 3.790 ( 0.000 9.182 0.000) 9.182 4.064 ( 0.000 -3.601 0.000) 3.601 4.064 ( 0.000 3.601 0.000) 3.601 4.138 ( 0.000 -1.912 0.000) 1.912 4.138 ( 0.000 1.912 0.000) 1.912 4.458 ( 0.000 -0.524 0.000) 0.524 4.458 ( 0.000 0.524 0.000) 0.524 4.601 ( 0.000 -0.216 0.000) 0.216 4.601 ( 0.000 0.216 0.000) 0.216 4.918 ( 0.000 -12.224 0.000) 12.224 4.918 ( 0.000 12.224 0.000) 12.224 5.030 ( 0.000 -2.634 0.000) 2.634 5.030 ( 0.000 2.634 0.000) 2.634 5.212 ( 0.000 -1.014 0.000) 1.014 5.212 ( 0.000 1.014 0.000) 1.014 5.347 ( 0.000 -2.317 0.000) 2.317 5.347 ( 0.000 2.317 0.000) 2.317 5.586 ( 0.000 -3.097 0.000) 3.097 5.586 ( 0.000 3.097 0.000) 3.097 6.093 ( 0.000 -8.719 0.000) 8.719 6.093 ( 0.000 8.719 0.000) 8.719 6.555 ( 0.000 -4.230 0.000) 4.230 6.555 ( 0.000 4.230 0.000) 4.230 6.934 ( 0.000 -7.500 0.000) 7.500 6.934 ( 0.000 7.500 0.000) 7.500 7.164 ( 0.000 -2.066 0.000) 2.066 7.164 ( 0.000 2.066 0.000) 2.066 7.453 ( 0.000 -6.061 0.000) 6.061 7.453 ( 0.000 6.061 0.000) 6.061 7.895 ( 0.000 -7.530 0.000) 7.530 7.895 ( 0.000 7.530 0.000) 7.530 8.060 ( 0.000 -2.028 0.000) 2.028 8.060 ( 0.000 2.028 0.000) 2.028 8.433 ( 0.000 -18.510 0.000) 18.510 8.433 ( 0.000 18.510 0.000) 18.510 9.057 ( 0.000 -2.599 0.000) 2.599 9.057 ( 0.000 2.599 0.000) 2.599 9.348 ( 0.000 -1.015 0.000) 1.015 9.348 ( 0.000 1.015 0.000) 1.015 9.568 ( 0.000 -1.729 0.000) 1.729 9.568 ( 0.000 1.729 0.000) 1.729 9.849 ( 0.000 -4.510 0.000) 4.510 9.849 ( 0.000 4.510 0.000) 4.510 10.238 ( 0.000 -9.864 0.000) 9.864 10.238 ( 0.000 9.864 0.000) 9.864 10.409 ( 0.000 -8.198 0.000) 8.198 10.409 ( 0.000 8.198 0.000) 8.198 11.007 ( 0.000 -1.840 0.000) 1.840 11.007 ( 0.000 1.840 0.000) 1.840 11.154 ( 0.000 -0.872 0.000) 0.872 11.154 ( 0.000 0.872 0.000) 0.872 11.312 ( 0.000 -9.051 0.000) 9.051 11.312 ( 0.000 9.051 0.000) 9.051 11.835 ( 0.000 -1.084 0.000) 1.084 11.835 ( 0.000 1.084 0.000) 1.084 12.485 ( 0.000 -1.622 0.000) 1.622 12.485 ( 0.000 1.622 0.000) 1.622 12.678 ( 0.000 -1.571 0.000) 1.571 12.678 ( 0.000 1.571 0.000) 1.571 13.846 ( 0.000 -4.930 0.000) 4.930 13.846 ( 0.000 4.930 0.000) 4.930 14.067 ( 0.000 -4.945 0.000) 4.945 14.067 ( 0.000 4.945 0.000) 4.945 14.829 ( 0.000 -3.805 0.000) 3.805 14.829 ( 0.000 3.805 0.000) 3.805 15.127 ( 0.000 -0.289 0.000) 0.289 15.127 ( 0.000 0.289 0.000) 0.289 15.205 ( 0.000 -2.710 0.000) 2.710 15.205 ( 0.000 2.710 0.000) 2.710 15.319 ( 0.000 -0.699 0.000) 0.699 15.319 ( 0.000 0.699 0.000) 0.699 15.790 ( 0.000 -2.380 0.000) 2.380 15.790 ( 0.000 2.380 0.000) 2.380 16.155 ( 0.000 -1.230 0.000) 1.230 16.155 ( 0.000 1.230 0.000) 1.230 16.509 ( 0.000 -2.821 0.000) 2.821 16.509 ( 0.000 2.821 0.000) 2.821 16.718 ( 0.000 -2.008 0.000) 2.008 16.718 ( 0.000 2.008 0.000) 2.008 17.691 ( 0.000 -5.333 0.000) 5.333 17.691 ( 0.000 5.333 0.000) 5.333 17.903 ( 0.000 -3.505 0.000) 3.505 17.903 ( 0.000 3.505 0.000) 3.505 22.112 ( 0.000 -0.679 0.000) 0.679 22.112 ( 0.000 0.679 0.000) 0.679 22.509 ( 0.000 -3.639 0.000) 3.639 22.509 ( 0.000 3.639 0.000) 3.639 26.807 ( 0.000 -0.775 0.000) 0.775 26.807 ( 0.000 0.775 0.000) 0.775 27.257 ( 0.000 -7.555 0.000) 7.555 27.257 ( 0.000 7.555 0.000) 7.555 28.449 ( 0.000 -0.948 0.000) 0.948 28.449 ( 0.000 0.948 0.000) 0.948 28.750 ( 0.000 -3.060 0.000) 3.060 28.750 ( 0.000 3.060 0.000) 3.060 29.520 ( 0.000 -5.963 0.000) 5.963 29.520 ( 0.000 5.963 0.000) 5.963 29.874 ( 0.000 -3.752 0.000) 3.752 29.874 ( 0.000 3.752 0.000) 3.752 30.608 ( 0.000 -1.352 0.000) 1.352 30.608 ( 0.000 1.352 0.000) 1.352 30.628 ( 0.000 -1.463 0.000) 1.463 30.628 ( 0.000 1.463 0.000) 1.463 30.862 ( 0.000 -4.039 0.000) 4.039 30.862 ( 0.000 4.039 0.000) 4.039 31.134 ( 0.000 -0.399 0.000) 0.399 31.134 ( 0.000 0.399 0.000) 0.399 32.133 ( 0.000 -1.558 0.000) 1.558 32.133 ( 0.000 1.558 0.000) 1.558 32.519 ( 0.000 -6.031 0.000) 6.031 32.519 ( 0.000 6.031 0.000) 6.031 34.135 ( 0.000 -2.402 0.000) 2.402 34.135 ( 0.000 2.402 0.000) 2.402 34.534 ( 0.000 -8.666 0.000) 8.666 34.534 ( 0.000 8.666 0.000) 8.666 ======================= Grid point 41 (20/88) ======================= q-point: ( 0.10 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( 3.500 -14.983 4.728) 16.097 1.341 ( 3.500 14.983 4.728) 16.097 1.582 ( 1.539 -16.201 0.871) 16.297 1.582 ( 1.539 16.201 0.871) 16.297 2.021 ( 2.207 -3.524 0.996) 4.276 2.021 ( 2.207 3.524 0.996) 4.276 2.291 ( 12.173 -2.612 -0.967) 12.488 2.291 ( 12.173 2.612 -0.967) 12.488 2.392 ( 1.875 -7.176 -2.186) 7.733 2.392 ( 1.875 7.176 -2.186) 7.733 2.604 ( -0.634 -5.595 3.417) 6.587 2.604 ( -0.634 5.595 3.417) 6.587 3.205 ( 1.800 -7.028 0.627) 7.282 3.205 ( 1.800 7.028 0.627) 7.282 3.747 ( 5.330 -2.889 0.889) 6.127 3.747 ( 5.330 2.889 0.889) 6.127 3.792 ( 2.752 -10.298 -4.452) 11.552 3.792 ( 2.752 10.298 -4.452) 11.552 4.089 ( 0.810 -4.143 4.137) 5.911 4.089 ( 0.810 4.143 4.137) 5.911 4.236 ( 8.206 -2.889 1.063) 8.764 4.236 ( 8.206 2.889 1.063) 8.764 4.474 ( 4.037 -7.306 -0.841) 8.389 4.474 ( 4.037 7.306 -0.841) 8.389 4.654 ( 6.365 -6.029 -4.150) 9.700 4.654 ( 6.365 6.029 -4.150) 9.700 4.930 ( 4.299 -8.153 0.746) 9.247 4.930 ( 4.299 8.153 0.746) 9.247 5.123 ( 5.995 -3.293 -0.598) 6.866 5.123 ( 5.995 3.293 -0.598) 6.866 5.233 ( -1.627 -7.706 -0.905) 7.927 5.233 ( -1.627 7.706 -0.905) 7.927 5.343 ( 4.068 -5.811 0.933) 7.155 5.343 ( 4.068 5.811 0.933) 7.155 5.654 ( 7.718 -3.450 0.650) 8.479 5.654 ( 7.718 3.450 0.650) 8.479 6.109 ( 1.113 -5.774 1.131) 5.988 6.109 ( 1.113 5.774 1.131) 5.988 6.613 ( 3.778 -2.699 1.613) 4.915 6.613 ( 3.778 2.699 1.613) 4.915 6.961 ( 1.495 -9.879 2.658) 10.339 6.961 ( 1.495 9.879 2.658) 10.339 7.131 ( -3.444 -0.599 0.548) 3.538 7.131 ( -3.444 0.599 0.548) 3.538 7.438 ( -2.553 -4.427 2.338) 5.620 7.438 ( -2.553 4.427 2.338) 5.620 7.850 ( -4.262 -6.072 -2.842) 7.944 7.850 ( -4.262 6.072 -2.842) 7.944 7.999 ( -3.149 -4.985 -4.707) 7.544 7.999 ( -3.149 4.985 -4.707) 7.544 8.385 ( -4.192 -12.033 -1.002) 12.782 8.385 ( -4.192 12.033 -1.002) 12.782 9.089 ( 2.458 -3.066 1.539) 4.220 9.089 ( 2.458 3.066 1.539) 4.220 9.323 ( -1.084 -0.572 -2.777) 3.036 9.323 ( -1.084 0.572 -2.777) 3.036 9.555 ( -2.368 -1.198 2.358) 3.551 9.555 ( -2.368 1.198 2.358) 3.551 9.844 ( -0.639 -4.417 0.461) 4.487 9.844 ( -0.639 4.417 0.461) 4.487 10.217 ( -1.806 -6.846 -0.988) 7.149 10.217 ( -1.806 6.846 -0.988) 7.149 10.422 ( 0.365 -5.320 0.948) 5.416 10.422 ( 0.365 5.320 0.948) 5.416 10.974 ( -3.537 -4.081 -1.123) 5.516 10.974 ( -3.537 4.081 -1.123) 5.516 11.020 ( -6.934 -2.273 0.338) 7.305 11.020 ( -6.934 2.273 0.338) 7.305 11.438 ( 7.303 -9.009 -0.591) 11.612 11.438 ( 7.303 9.009 -0.591) 11.612 11.794 ( -5.153 -0.642 2.793) 5.896 11.794 ( -5.153 0.642 2.793) 5.896 12.492 ( 0.787 -2.220 -0.934) 2.533 12.492 ( 0.787 2.220 -0.934) 2.533 12.694 ( 1.672 -0.485 -0.007) 1.741 12.694 ( 1.672 0.485 -0.007) 1.741 13.822 ( -2.266 -4.041 -0.745) 4.693 13.822 ( -2.266 4.041 -0.745) 4.693 13.963 ( -9.445 -3.639 0.634) 10.142 13.963 ( -9.445 3.639 0.634) 10.142 14.833 ( 0.067 -4.368 0.421) 4.389 14.833 ( 0.067 4.368 0.421) 4.389 15.122 ( -0.709 -2.819 -0.872) 3.035 15.122 ( -0.709 2.819 -0.872) 3.035 15.213 ( 2.956 -1.926 -0.726) 3.602 15.213 ( 2.956 1.926 -0.726) 3.602 15.370 ( 3.691 -0.322 0.665) 3.764 15.370 ( 3.691 0.322 0.665) 3.764 15.775 ( -0.389 -1.956 -1.199) 2.327 15.775 ( -0.389 1.956 -1.199) 2.327 16.207 ( 2.884 -3.079 0.606) 4.262 16.207 ( 2.884 3.079 0.606) 4.262 16.505 ( -0.778 -2.708 1.486) 3.185 16.505 ( -0.778 2.708 1.486) 3.185 16.675 ( -1.233 -5.395 -4.150) 6.918 16.675 ( -1.233 5.395 -4.150) 6.918 17.678 ( -1.311 -5.042 0.385) 5.224 17.678 ( -1.311 5.042 0.385) 5.224 17.884 ( -1.859 -4.138 -0.044) 4.537 17.884 ( -1.859 4.138 -0.044) 4.537 22.108 ( -0.602 -1.055 0.524) 1.323 22.108 ( -0.602 1.055 0.524) 1.323 22.460 ( -4.664 -3.317 0.262) 5.729 22.460 ( -4.664 3.317 0.262) 5.729 26.804 ( -0.540 -0.450 0.466) 0.844 26.804 ( -0.540 0.450 0.466) 0.844 27.167 ( -7.201 -4.735 -1.272) 8.712 27.167 ( -7.201 4.735 -1.272) 8.712 28.450 ( 0.160 -0.980 -0.100) 0.998 28.450 ( 0.160 0.980 -0.100) 0.998 28.703 ( -2.382 -1.454 -1.160) 3.022 28.703 ( -2.382 1.454 -1.160) 3.022 29.534 ( -2.443 -3.886 1.865) 4.955 29.534 ( -2.443 3.886 1.865) 4.955 29.947 ( 7.123 -1.942 1.430) 7.520 29.947 ( 7.123 1.942 1.430) 7.520 30.645 ( 2.441 -0.803 0.844) 2.705 30.645 ( 2.441 0.803 0.844) 2.705 30.724 ( 6.909 -1.803 -0.107) 7.141 30.724 ( 6.909 1.803 -0.107) 7.141 31.078 ( 15.927 -3.611 0.966) 16.360 31.078 ( 15.927 3.611 0.966) 16.360 31.112 ( 4.791 -3.045 -2.311) 6.129 31.112 ( 4.791 3.045 -2.311) 6.129 32.160 ( 1.857 -1.945 2.622) 3.756 32.160 ( 1.857 1.945 2.622) 3.756 32.565 ( 4.759 -5.861 0.398) 7.560 32.565 ( 4.759 5.861 0.398) 7.560 34.088 ( -5.056 -2.931 0.801) 5.898 34.088 ( -5.056 2.931 0.801) 5.898 34.456 ( -6.850 -8.281 -1.867) 10.908 34.456 ( -6.850 8.281 -1.867) 10.908 ======================= Grid point 43 (21/88) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( 6.523 -11.314 1.920) 13.201 1.475 ( 6.523 11.314 1.920) 13.201 1.688 ( 6.388 -14.337 6.878) 17.137 1.688 ( 6.388 14.337 6.878) 17.137 2.049 ( 1.670 -6.502 -4.281) 7.962 2.049 ( 1.670 6.502 -4.281) 7.962 2.331 ( 0.113 -1.778 -5.814) 6.081 2.331 ( 0.113 1.778 -5.814) 6.081 2.520 ( 0.900 -3.666 2.843) 4.726 2.520 ( 0.900 3.666 2.843) 4.726 2.681 ( 8.550 -1.401 2.864) 9.125 2.681 ( 8.550 1.401 2.864) 9.125 3.267 ( 4.387 -4.195 -0.333) 6.079 3.267 ( 4.387 4.196 -0.333) 6.079 3.756 ( 1.601 -3.545 -3.467) 5.210 3.756 ( 1.601 3.545 -3.467) 5.210 3.894 ( 5.739 -4.884 0.690) 7.568 3.894 ( 5.739 4.884 0.690) 7.568 4.188 ( 3.953 -6.570 3.879) 8.593 4.188 ( 3.953 6.570 3.879) 8.593 4.410 ( 7.350 -1.485 4.265) 8.627 4.410 ( 7.350 1.485 4.265) 8.627 4.549 ( 2.916 -7.760 -2.390) 8.628 4.549 ( 2.916 7.760 -2.390) 8.628 4.846 ( 17.231 -6.177 -1.732) 18.386 4.846 ( 17.231 6.177 -1.732) 18.386 5.035 ( 1.913 -10.430 -4.678) 11.590 5.035 ( 1.913 10.430 -4.678) 11.590 5.207 ( 9.522 -4.338 -0.140) 10.465 5.207 ( 9.522 4.338 -0.140) 10.465 5.240 ( 4.913 -2.347 -0.301) 5.453 5.240 ( 4.913 2.347 -0.301) 5.453 5.496 ( 7.805 -0.769 3.930) 8.772 5.496 ( 7.805 0.769 3.930) 8.772 5.895 ( 12.492 -3.061 4.216) 13.535 5.895 ( 12.492 3.061 4.216) 13.535 6.175 ( 7.307 -0.959 -1.183) 7.464 6.175 ( 7.307 0.959 -1.183) 7.464 6.663 ( -0.413 -1.730 0.754) 1.932 6.663 ( -0.413 1.730 0.754) 1.932 6.963 ( -5.443 -5.254 -2.031) 7.833 6.963 ( -5.443 5.254 -2.031) 7.833 7.090 ( -0.560 -7.997 4.616) 9.250 7.090 ( -0.560 7.997 4.616) 9.250 7.400 ( -2.910 -5.290 2.178) 6.419 7.400 ( -2.910 5.290 2.178) 6.419 7.680 ( -7.191 -5.232 -7.465) 11.611 7.680 ( -7.191 5.232 -7.465) 11.611 7.917 ( -3.240 -7.315 -0.239) 8.004 7.917 ( -3.240 7.315 -0.239) 8.004 8.272 ( -5.804 -4.152 -2.313) 7.502 8.272 ( -5.804 4.152 -2.313) 7.502 9.157 ( 2.844 -2.235 1.107) 3.783 9.157 ( 2.844 2.235 1.107) 3.783 9.280 ( -0.416 -0.905 -3.339) 3.484 9.280 ( -0.416 0.905 -3.339) 3.484 9.516 ( -3.744 -0.774 2.663) 4.659 9.516 ( -3.744 0.774 2.663) 4.659 9.838 ( -0.364 -4.264 1.042) 4.405 9.838 ( -0.364 4.264 1.042) 4.405 10.161 ( -2.371 -1.930 -1.797) 3.546 10.161 ( -2.371 1.930 -1.797) 3.546 10.410 ( -3.372 -2.422 2.217) 4.707 10.410 ( -3.372 2.422 2.217) 4.707 10.861 ( -5.766 -4.436 -0.833) 7.323 10.861 ( -5.766 4.436 -0.833) 7.323 10.967 ( 0.114 -2.872 -0.290) 2.889 10.967 ( 0.114 2.872 -0.290) 2.889 11.522 ( 2.091 -8.015 -2.594) 8.679 11.522 ( 2.091 8.015 -2.594) 8.679 11.707 ( -6.111 -2.545 5.164) 8.396 11.707 ( -6.111 2.545 5.164) 8.396 12.494 ( 0.430 -3.598 -0.955) 3.747 12.494 ( 0.430 3.598 -0.955) 3.747 12.734 ( 2.123 -2.117 0.079) 2.999 12.734 ( 2.123 2.117 0.079) 2.999 13.726 ( -6.446 -1.330 -3.003) 7.235 13.726 ( -6.446 1.330 -3.003) 7.235 13.813 ( -5.579 -3.878 2.813) 7.354 13.813 ( -5.579 3.878 2.813) 7.354 14.836 ( 1.107 -4.551 -1.838) 5.031 14.836 ( 1.107 4.551 -1.838) 5.031 15.122 ( 2.169 -2.390 -2.007) 3.801 15.122 ( 2.169 2.390 -2.007) 3.801 15.282 ( 2.868 -3.695 2.359) 5.239 15.282 ( 2.868 3.695 2.359) 5.239 15.448 ( 3.391 -1.352 1.098) 3.812 15.448 ( 3.391 1.352 1.098) 3.812 15.770 ( 0.524 -1.136 -0.408) 1.316 15.770 ( 0.524 1.136 -0.408) 1.316 16.177 ( -6.450 -3.254 -0.444) 7.238 16.177 ( -6.450 3.254 -0.444) 7.238 16.535 ( 2.528 -3.989 1.184) 4.869 16.535 ( 2.528 3.989 1.184) 4.869 16.655 ( 2.504 -4.139 -2.784) 5.581 16.655 ( 2.504 4.139 -2.784) 5.581 17.654 ( -1.528 -3.974 0.545) 4.292 17.654 ( -1.528 3.974 0.545) 4.292 17.838 ( -2.357 -4.570 -0.513) 5.168 17.838 ( -2.357 4.570 -0.513) 5.168 22.100 ( -0.671 -2.949 0.837) 3.138 22.100 ( -0.671 2.949 0.837) 3.138 22.357 ( -5.592 -4.111 -0.117) 6.942 22.357 ( -5.592 4.111 -0.117) 6.942 26.792 ( -1.157 -0.356 0.398) 1.275 26.792 ( -1.157 0.356 0.398) 1.275 27.017 ( -6.733 -1.513 -0.662) 6.932 27.017 ( -6.733 1.513 -0.662) 6.932 28.457 ( 0.617 -0.995 0.196) 1.187 28.457 ( 0.617 0.995 0.196) 1.187 28.669 ( -0.974 -0.839 -0.142) 1.293 28.669 ( -0.974 0.839 -0.142) 1.293 29.479 ( -2.029 -5.806 -1.049) 6.239 29.479 ( -2.029 5.806 -1.049) 6.239 30.079 ( 2.997 -2.914 2.341) 4.791 30.079 ( 2.997 2.914 2.341) 4.791 30.684 ( 0.709 -0.582 1.830) 2.047 30.684 ( 0.709 0.582 1.830) 2.047 30.863 ( 8.348 -4.524 -5.889) 11.173 30.863 ( 8.348 4.524 -5.889) 11.173 31.060 ( -1.001 -0.683 2.171) 2.486 31.060 ( -1.001 0.683 2.171) 2.486 31.563 ( 23.266 -12.779 -3.570) 26.783 31.563 ( 23.266 12.779 -3.570) 26.783 32.261 ( 5.606 -4.235 5.661) 9.023 32.261 ( 5.606 4.235 5.661) 9.023 32.714 ( 10.068 -5.532 0.843) 11.518 32.714 ( 10.068 5.532 0.843) 11.518 33.961 ( -8.656 -3.740 1.132) 9.497 33.961 ( -8.656 3.740 1.132) 9.497 34.267 ( -10.385 -8.217 -1.713) 13.353 34.267 ( -10.385 8.217 -1.713) 13.353 ======================= Grid point 45 (22/88) ======================= q-point: ( 0.30 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( 7.585 -6.033 0.331) 9.697 1.622 ( 7.585 6.033 0.331) 9.697 1.869 ( 6.243 -7.053 2.471) 9.738 1.869 ( 6.243 7.053 2.471) 9.738 2.038 ( 1.303 -7.622 -2.265) 8.058 2.038 ( 1.303 7.622 -2.265) 8.058 2.291 ( 0.270 -2.548 -7.076) 7.526 2.291 ( 0.270 2.548 -7.076) 7.526 2.500 ( -2.208 -8.592 4.233) 9.830 2.500 ( -2.208 8.592 4.233) 9.830 2.817 ( 2.468 -6.761 0.052) 7.197 2.817 ( 2.468 6.761 0.052) 7.197 3.407 ( 8.818 -3.545 2.635) 9.862 3.407 ( 8.818 3.545 2.635) 9.862 3.770 ( 1.173 -2.924 -2.476) 4.007 3.770 ( 1.173 2.924 -2.476) 4.007 4.011 ( 3.892 -3.863 2.606) 6.071 4.011 ( 3.892 3.863 2.606) 6.071 4.234 ( 0.447 -9.939 -0.595) 9.967 4.234 ( 0.447 9.939 -0.595) 9.967 4.484 ( 1.411 -5.838 -0.823) 6.063 4.484 ( 1.411 5.838 -0.823) 6.063 4.650 ( 3.918 -3.734 0.296) 5.420 4.650 ( 3.918 3.734 0.296) 5.421 5.048 ( 7.974 -8.167 -0.634) 11.432 5.048 ( 7.974 8.167 -0.634) 11.432 5.157 ( 9.489 -1.731 1.256) 9.727 5.157 ( 9.489 1.731 1.256) 9.727 5.300 ( 6.219 -3.724 -0.339) 7.256 5.300 ( 6.219 3.724 -0.339) 7.256 5.553 ( 20.086 -5.430 -1.978) 20.901 5.553 ( 20.086 5.430 -1.978) 20.901 5.695 ( 10.196 -2.011 1.892) 10.563 5.695 ( 10.196 2.011 1.892) 10.563 6.100 ( 6.921 -4.814 3.179) 9.010 6.100 ( 6.921 4.814 3.179) 9.010 6.385 ( 9.907 -2.186 1.580) 10.268 6.385 ( 9.907 2.186 1.580) 10.268 6.622 ( -2.340 -1.666 -1.596) 3.286 6.622 ( -2.340 1.666 -1.596) 3.286 6.776 ( -8.251 -5.447 -1.998) 10.086 6.776 ( -8.251 5.447 -1.998) 10.086 7.113 ( -1.984 -9.095 3.663) 10.004 7.113 ( -1.984 9.095 3.663) 10.004 7.378 ( -0.640 -7.432 1.018) 7.529 7.378 ( -0.640 7.432 1.018) 7.529 7.509 ( -4.501 -2.435 -6.829) 8.534 7.509 ( -4.501 2.435 -6.829) 8.534 7.858 ( -4.073 -3.697 2.734) 6.143 7.858 ( -4.073 3.697 2.734) 6.143 8.132 ( -6.268 -3.732 -3.003) 7.889 8.132 ( -6.268 3.732 -3.003) 7.889 9.202 ( 1.527 -1.379 -0.454) 2.107 9.202 ( 1.527 1.379 -0.454) 2.107 9.262 ( 0.870 -2.246 -1.674) 2.933 9.262 ( 0.870 2.246 -1.674) 2.933 9.461 ( -3.827 -1.394 2.008) 4.541 9.461 ( -3.827 1.394 2.008) 4.541 9.853 ( 0.790 -4.762 1.495) 5.053 9.853 ( 0.790 4.762 1.495) 5.053 10.109 ( -1.200 -1.210 -2.217) 2.797 10.109 ( -1.200 1.210 -2.217) 2.797 10.338 ( -5.664 -3.859 2.847) 7.422 10.338 ( -5.664 3.859 2.847) 7.422 10.754 ( -3.798 -3.181 -2.032) 5.355 10.754 ( -3.798 3.181 -2.032) 5.355 10.989 ( 1.247 -2.829 0.561) 3.142 10.989 ( 1.247 2.829 0.561) 3.142 11.466 ( -3.422 -6.706 -4.947) 9.009 11.466 ( -3.422 6.706 -4.947) 9.009 11.677 ( -2.511 -3.217 6.409) 7.598 11.677 ( -2.511 3.217 6.409) 7.598 12.499 ( 0.597 -2.287 -0.139) 2.368 12.499 ( 0.597 2.287 -0.139) 2.368 12.769 ( 1.415 -1.618 0.027) 2.150 12.769 ( 1.415 1.618 0.027) 2.150 13.587 ( -4.825 -2.243 -2.696) 5.965 13.587 ( -4.825 2.243 -2.696) 5.965 13.761 ( -2.685 -3.599 2.369) 5.077 13.761 ( -2.685 3.599 2.369) 5.077 14.864 ( 3.558 -4.458 -1.526) 5.905 14.864 ( 3.558 4.458 -1.526) 5.905 15.158 ( 2.499 -1.839 -1.073) 3.283 15.158 ( 2.499 1.839 -1.073) 3.283 15.346 ( 1.565 -3.721 1.575) 4.333 15.346 ( 1.565 3.721 1.575) 4.333 15.517 ( 3.028 -3.259 0.906) 4.540 15.517 ( 3.028 3.259 0.906) 4.540 15.778 ( 0.102 -1.104 0.355) 1.164 15.778 ( 0.102 1.104 0.355) 1.164 16.013 ( -8.807 -2.357 -0.157) 9.119 16.013 ( -8.807 2.357 -0.157) 9.119 16.575 ( 1.469 -3.999 -1.095) 4.398 16.575 ( 1.469 3.999 -1.095) 4.398 16.712 ( 3.348 -4.735 0.334) 5.809 16.712 ( 3.348 4.735 0.334) 5.809 17.629 ( -1.407 -2.789 0.301) 3.138 17.629 ( -1.407 2.789 0.301) 3.138 17.796 ( -1.438 -3.433 -0.565) 3.765 17.796 ( -1.438 3.433 -0.565) 3.765 22.097 ( -0.414 -4.736 0.747) 4.813 22.097 ( -0.414 4.736 0.747) 4.813 22.258 ( -4.206 -5.035 -0.447) 6.576 22.258 ( -4.206 5.035 -0.447) 6.576 26.767 ( -1.495 -0.905 0.050) 1.748 26.767 ( -1.495 0.905 0.050) 1.748 26.909 ( -4.030 -0.604 -0.246) 4.083 26.909 ( -4.030 0.604 -0.246) 4.083 28.480 ( 1.314 -1.000 0.817) 1.842 28.480 ( 1.314 1.000 0.817) 1.842 28.649 ( -1.023 -0.669 -0.371) 1.277 28.649 ( -1.023 0.669 -0.371) 1.277 29.463 ( 0.813 -3.442 -0.212) 3.543 29.463 ( 0.813 3.442 -0.212) 3.543 30.080 ( -3.734 -1.055 0.652) 3.935 30.080 ( -3.734 1.055 0.652) 3.935 30.717 ( 1.556 -0.894 1.248) 2.186 30.717 ( 1.556 0.894 1.248) 2.186 30.888 ( 0.567 -5.036 -5.749) 7.664 30.888 ( 0.567 5.036 -5.749) 7.664 31.141 ( 5.958 -5.013 1.446) 7.920 31.141 ( 5.958 5.013 1.446) 7.920 31.848 ( 10.339 -8.450 -4.572) 14.113 31.848 ( 10.339 8.450 -4.572) 14.113 32.471 ( 10.275 -9.823 5.803) 15.354 32.471 ( 10.275 9.823 5.803) 15.354 32.946 ( 12.528 -5.316 0.298) 13.613 32.946 ( 12.528 5.316 0.298) 13.613 33.789 ( -9.517 -4.391 1.193) 10.549 33.789 ( -9.517 4.391 1.193) 10.549 34.054 ( -10.442 -9.598 -0.205) 14.184 34.054 ( -10.442 9.598 -0.205) 14.184 ======================= Grid point 47 (23/88) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( 3.775 -3.179 -1.643) 5.202 1.734 ( 3.775 3.179 -1.643) 5.202 1.973 ( 5.222 -2.549 -0.864) 5.875 1.973 ( 5.222 2.549 -0.864) 5.875 2.068 ( 0.431 -4.234 1.791) 4.617 2.068 ( 0.431 4.234 1.791) 4.617 2.234 ( 0.204 -3.261 -3.578) 4.845 2.234 ( 0.204 3.261 -3.578) 4.845 2.524 ( 1.155 -6.203 -0.000) 6.310 2.524 ( 1.155 6.203 -0.000) 6.310 2.826 ( -1.333 -11.237 2.522) 11.594 2.826 ( -1.333 11.237 2.522) 11.594 3.555 ( 2.172 -1.658 0.944) 2.891 3.555 ( 2.172 1.658 0.944) 2.891 3.748 ( 0.556 -1.573 -1.171) 2.038 3.748 ( 0.556 1.573 -1.171) 2.038 4.088 ( 3.312 -7.034 -0.056) 7.775 4.088 ( 3.312 7.034 -0.056) 7.775 4.248 ( 0.704 -5.339 0.831) 5.449 4.248 ( 0.704 5.339 0.831) 5.449 4.444 ( -3.067 -5.352 -4.066) 7.388 4.444 ( -3.067 5.352 -4.066) 7.388 4.738 ( 5.135 -2.931 1.521) 6.105 4.738 ( 5.135 2.931 1.521) 6.105 5.149 ( 1.163 -5.120 2.294) 5.730 5.149 ( 1.163 5.120 2.294) 5.730 5.355 ( 9.982 -1.868 -0.863) 10.192 5.355 ( 9.982 1.868 -0.863) 10.192 5.433 ( 5.306 -1.660 1.831) 5.854 5.433 ( 5.306 1.660 1.831) 5.854 5.835 ( 11.616 -4.533 -5.710) 13.714 5.835 ( 11.616 4.533 -5.710) 13.714 5.883 ( 5.540 -1.467 1.173) 5.850 5.883 ( 5.540 1.467 1.173) 5.850 6.273 ( 8.371 -4.156 2.517) 9.679 6.273 ( 8.371 4.156 2.517) 9.679 6.423 ( -3.798 -5.949 1.230) 7.164 6.423 ( -3.798 5.949 1.230) 7.164 6.569 ( -0.501 -7.080 -0.308) 7.105 6.569 ( -0.501 7.080 -0.308) 7.105 6.790 ( 5.805 -0.965 2.764) 6.501 6.790 ( 5.805 0.965 2.764) 6.501 7.078 ( -3.335 -5.943 2.053) 7.117 7.078 ( -3.335 5.943 2.053) 7.117 7.336 ( -5.124 -6.062 -3.826) 8.812 7.336 ( -5.124 6.062 -3.826) 8.812 7.409 ( 0.051 -0.805 -2.402) 2.534 7.409 ( 0.051 0.805 -2.402) 2.534 7.804 ( -3.309 -1.119 2.094) 4.072 7.804 ( -3.309 1.119 2.094) 4.072 8.000 ( -4.679 -1.197 -1.928) 5.200 8.000 ( -4.679 1.197 -1.928) 5.200 9.220 ( 0.870 -1.817 -0.322) 2.040 9.220 ( 0.870 1.817 -0.322) 2.040 9.278 ( 1.273 -2.762 -0.564) 3.093 9.278 ( 1.273 2.762 -0.564) 3.093 9.408 ( -2.813 -1.376 1.197) 3.353 9.408 ( -2.813 1.376 1.197) 3.353 9.885 ( 1.045 -5.893 1.181) 6.101 9.885 ( 1.045 5.893 1.181) 6.101 10.079 ( -0.143 -2.612 -2.059) 3.329 10.079 ( -0.143 2.612 -2.059) 3.329 10.260 ( -3.918 -4.094 1.851) 5.962 10.260 ( -3.918 4.094 1.851) 5.962 10.689 ( -1.697 -2.325 -0.960) 3.034 10.689 ( -1.697 2.325 -0.960) 3.034 11.009 ( 0.383 -3.178 0.441) 3.231 11.009 ( 0.383 3.178 0.441) 3.231 11.363 ( -2.745 -7.425 -3.799) 8.781 11.363 ( -2.745 7.425 -3.799) 8.781 11.685 ( -1.333 -2.324 3.877) 4.712 11.685 ( -1.333 2.324 3.877) 4.712 12.512 ( 0.514 -1.749 0.235) 1.838 12.512 ( 0.514 1.749 0.235) 1.838 12.790 ( 0.707 -0.419 0.014) 0.822 12.790 ( 0.707 0.419 0.014) 0.822 13.501 ( -2.223 -3.516 -1.675) 4.484 13.501 ( -2.223 3.516 -1.675) 4.484 13.738 ( -1.289 -4.351 1.294) 4.719 13.738 ( -1.289 4.351 1.294) 4.719 14.948 ( 5.015 -4.186 0.611) 6.561 14.948 ( 5.015 4.186 0.611) 6.561 15.192 ( 1.630 -3.617 -0.649) 4.021 15.192 ( 1.630 3.617 -0.649) 4.021 15.346 ( -2.078 -4.201 -0.431) 4.707 15.346 ( -2.078 4.201 -0.431) 4.707 15.585 ( 3.512 -6.379 0.035) 7.281 15.585 ( 3.512 6.379 0.035) 7.281 15.775 ( -0.891 -1.243 0.764) 1.710 15.775 ( -0.891 1.243 0.764) 1.710 15.869 ( -5.665 -4.647 0.458) 7.341 15.869 ( -5.665 4.647 0.458) 7.341 16.585 ( 0.666 -2.232 -1.106) 2.579 16.585 ( 0.666 2.232 -1.106) 2.579 16.763 ( 1.379 -1.588 0.675) 2.209 16.763 ( 1.379 1.588 0.675) 2.209 17.607 ( -0.910 -1.709 0.055) 1.937 17.607 ( -0.910 1.709 0.055) 1.937 17.774 ( -0.485 -1.705 -0.282) 1.795 17.774 ( -0.485 1.705 -0.282) 1.795 22.095 ( -0.239 -4.512 0.266) 4.526 22.095 ( -0.239 4.512 0.266) 4.526 22.194 ( -2.064 -4.283 -0.200) 4.759 22.194 ( -2.064 4.283 -0.200) 4.759 26.741 ( -1.065 -1.535 -0.050) 1.869 26.741 ( -1.065 1.535 -0.050) 1.869 26.854 ( -1.637 -1.191 -0.159) 2.031 26.854 ( -1.637 1.191 -0.159) 2.031 28.514 ( 1.254 -0.897 0.858) 1.765 28.514 ( 1.254 0.897 0.858) 1.765 28.625 ( -0.892 -0.810 -0.530) 1.316 28.625 ( -0.892 0.810 -0.530) 1.316 29.495 ( 1.859 -1.026 0.784) 2.263 29.495 ( 1.859 1.026 0.784) 2.263 29.984 ( -5.026 -2.751 -0.618) 5.763 29.984 ( -5.026 2.751 -0.618) 5.763 30.758 ( 1.575 -0.978 0.486) 1.916 30.758 ( 1.575 0.978 0.486) 1.916 30.846 ( -0.612 -2.316 -3.086) 3.907 30.846 ( -0.612 2.316 -3.086) 3.907 31.250 ( 3.936 -6.911 0.513) 7.970 31.250 ( 3.936 6.911 0.513) 7.970 31.941 ( 3.436 -3.850 -2.429) 5.703 31.941 ( 3.436 3.850 -2.429) 5.703 32.695 ( 8.023 -12.623 3.031) 15.261 32.695 ( 8.023 12.623 3.031) 15.261 33.158 ( 8.634 -4.993 -1.030) 10.027 33.158 ( 8.634 4.993 -1.030) 10.027 33.646 ( -5.516 -6.034 1.565) 8.324 33.646 ( -5.516 6.034 1.565) 8.324 33.872 ( -8.283 -13.426 0.440) 15.782 33.872 ( -8.283 13.426 0.440) 15.782 ======================= Grid point 49 (24/88) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( 0.000 -3.461 0.000) 3.461 1.757 ( 0.000 3.461 0.000) 3.461 2.031 ( 0.000 -2.545 -0.000) 2.545 2.031 ( -0.000 2.545 0.000) 2.545 2.070 ( 0.000 -4.782 0.000) 4.782 2.070 ( 0.000 4.783 -0.000) 4.783 2.242 ( 0.000 -4.752 0.000) 4.752 2.242 ( 0.000 4.752 -0.000) 4.752 2.526 ( 0.000 -5.018 0.000) 5.018 2.526 ( 0.000 5.018 0.000) 5.018 2.824 ( 0.000 -13.172 0.000) 13.172 2.824 ( 0.000 13.172 -0.000) 13.172 3.543 ( 0.000 -0.694 0.000) 0.694 3.543 ( 0.000 0.694 0.000) 0.694 3.782 ( 0.000 -7.812 0.000) 7.812 3.782 ( 0.000 7.812 0.000) 7.812 4.117 ( 0.000 -5.483 0.000) 5.483 4.117 ( 0.000 5.483 -0.000) 5.483 4.261 ( 0.000 -2.482 0.000) 2.482 4.261 ( 0.000 2.482 -0.000) 2.482 4.382 ( 0.000 -5.525 0.000) 5.525 4.382 ( 0.000 5.525 0.000) 5.525 4.807 ( 0.000 -0.130 0.000) 0.130 4.807 ( 0.000 0.130 0.000) 0.130 5.171 ( 0.000 -3.108 0.000) 3.108 5.171 ( 0.000 3.108 0.000) 3.108 5.429 ( 0.000 -2.238 0.000) 2.238 5.429 ( 0.000 2.238 0.000) 2.238 5.519 ( 0.000 -0.403 0.000) 0.403 5.519 ( 0.000 0.403 0.000) 0.403 5.912 ( -0.000 -4.460 0.000) 4.460 5.912 ( 0.000 4.460 -0.000) 4.460 5.930 ( 0.000 -3.879 -0.000) 3.879 5.930 ( 0.000 3.879 0.000) 3.879 6.368 ( 0.000 -5.060 -0.000) 5.060 6.368 ( 0.000 5.060 0.000) 5.060 6.406 ( 0.000 -4.136 0.000) 4.136 6.406 ( 0.000 4.136 0.000) 4.136 6.588 ( 0.000 -3.275 0.000) 3.275 6.588 ( 0.000 3.275 0.000) 3.275 6.869 ( 0.000 -1.992 0.000) 1.992 6.869 ( 0.000 1.992 -0.000) 1.992 7.050 ( 0.000 -2.364 0.000) 2.364 7.050 ( 0.000 2.364 0.000) 2.364 7.239 ( 0.000 -3.420 -0.000) 3.420 7.239 ( 0.000 3.420 0.000) 3.420 7.404 ( 0.000 -0.414 0.000) 0.414 7.404 ( 0.000 0.414 0.000) 0.414 7.780 ( 0.000 -1.764 0.000) 1.764 7.780 ( 0.000 1.765 0.000) 1.765 7.942 ( 0.000 -2.874 0.000) 2.874 7.942 ( 0.000 2.874 0.000) 2.874 9.228 ( 0.000 -2.597 0.000) 2.597 9.228 ( 0.000 2.597 0.000) 2.597 9.290 ( 0.000 -2.987 0.000) 2.987 9.290 ( 0.000 2.987 0.000) 2.987 9.383 ( 0.000 -1.488 0.000) 1.488 9.383 ( 0.000 1.488 0.000) 1.488 9.902 ( 0.000 -6.493 0.000) 6.493 9.902 ( 0.000 6.493 0.000) 6.493 10.069 ( 0.000 -3.121 -0.000) 3.121 10.069 ( 0.000 3.121 -0.000) 3.121 10.229 ( 0.000 -3.764 0.000) 3.764 10.229 ( 0.000 3.764 0.000) 3.764 10.669 ( 0.000 -1.945 0.000) 1.945 10.669 ( 0.000 1.945 0.000) 1.945 11.014 ( 0.000 -3.557 -0.000) 3.557 11.014 ( 0.000 3.557 0.000) 3.557 11.318 ( 0.000 -8.160 0.000) 8.160 11.318 ( 0.000 8.160 0.000) 8.160 11.688 ( 0.000 -0.557 0.000) 0.557 11.688 ( 0.000 0.557 0.000) 0.557 12.518 ( 0.000 -2.137 0.000) 2.137 12.518 ( 0.000 2.137 0.000) 2.137 12.797 ( 0.000 -0.291 -0.000) 0.291 12.797 ( 0.000 0.291 0.000) 0.291 13.473 ( 0.000 -4.096 0.000) 4.096 13.473 ( 0.000 4.096 0.000) 4.096 13.731 ( 0.000 -4.870 0.000) 4.870 13.731 ( 0.000 4.871 0.000) 4.871 15.017 ( 0.000 -1.592 0.000) 1.592 15.017 ( -0.000 1.592 0.000) 1.592 15.207 ( 0.000 -5.143 0.000) 5.143 15.207 ( 0.000 5.143 0.000) 5.143 15.304 ( 0.000 -5.246 0.000) 5.246 15.304 ( 0.000 5.246 0.000) 5.246 15.629 ( 0.000 -9.213 0.000) 9.213 15.629 ( 0.000 9.213 -0.000) 9.213 15.762 ( 0.000 -1.796 -0.000) 1.796 15.762 ( 0.000 1.796 0.000) 1.796 15.817 ( 0.000 -1.246 0.000) 1.246 15.817 ( 0.000 1.246 0.000) 1.246 16.586 ( 0.000 -2.996 0.000) 2.996 16.586 ( 0.000 2.996 0.000) 2.996 16.778 ( 0.000 -0.052 0.000) 0.052 16.778 ( 0.000 0.052 0.000) 0.052 17.598 ( 0.000 -1.069 0.000) 1.069 17.598 ( 0.000 1.069 0.000) 1.069 17.769 ( 0.000 -0.940 0.000) 0.940 17.769 ( 0.000 0.940 0.000) 0.940 22.093 ( 0.000 -1.048 0.000) 1.048 22.093 ( 0.000 1.048 0.000) 1.048 22.174 ( 0.000 -1.404 0.000) 1.404 22.174 ( 0.000 1.404 0.000) 1.404 26.730 ( 0.000 -1.793 0.000) 1.793 26.730 ( 0.000 1.793 0.000) 1.793 26.838 ( 0.000 -1.358 0.000) 1.358 26.838 ( 0.000 1.358 0.000) 1.358 28.532 ( 0.000 -0.698 0.000) 0.698 28.532 ( 0.000 0.698 0.000) 0.698 28.613 ( 0.000 -0.814 0.000) 0.814 28.613 ( 0.000 0.814 0.000) 0.814 29.523 ( 0.000 -2.804 0.000) 2.804 29.523 ( 0.000 2.804 0.000) 2.804 29.924 ( 0.000 -4.739 0.000) 4.739 29.924 ( 0.000 4.739 0.000) 4.739 30.776 ( 0.000 -1.129 0.000) 1.129 30.776 ( 0.000 1.129 0.000) 1.129 30.826 ( 0.000 -0.014 -0.000) 0.014 30.826 ( 0.000 0.014 0.000) 0.014 31.291 ( 0.000 -7.572 0.000) 7.572 31.291 ( 0.000 7.572 -0.000) 7.572 31.962 ( 0.000 -1.398 -0.000) 1.398 31.962 ( 0.000 1.398 0.000) 1.398 32.792 ( 0.000 -14.075 0.000) 14.075 32.792 ( 0.000 14.075 0.000) 14.075 33.234 ( 0.000 -8.353 0.000) 8.353 33.234 ( 0.000 8.353 0.000) 8.353 33.613 ( 0.000 -10.908 0.000) 10.908 33.613 ( 0.000 10.908 0.000) 10.908 33.777 ( 0.000 -19.810 0.000) 19.810 33.777 ( -0.000 19.810 0.000) 19.810 ======================= Grid point 91 (25/88) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.491 ( 5.638 0.000 23.497) 24.164 0.625 ( -13.874 0.000 28.299) 31.517 0.995 ( -12.248 0.000 40.890) 42.685 1.416 ( -0.660 0.000 -5.097) 5.139 1.526 ( 7.120 0.000 -10.858) 12.984 2.070 ( -1.608 0.000 8.918) 9.062 2.185 ( 0.506 0.000 1.097) 1.208 2.185 ( 0.835 0.000 0.588) 1.022 2.472 ( -0.810 0.000 -15.277) 15.299 2.550 ( 3.681 0.000 -11.474) 12.050 2.715 ( 3.248 0.000 -0.643) 3.311 2.839 ( -1.533 0.000 -4.868) 5.104 3.172 ( -5.872 0.000 1.519) 6.065 3.203 ( 0.634 0.000 0.623) 0.889 3.328 ( 3.439 0.000 14.642) 15.041 3.643 ( 3.829 0.000 -1.023) 3.963 3.662 ( -6.990 0.000 -2.440) 7.403 3.800 ( 0.964 0.000 -6.944) 7.010 3.981 ( 0.196 0.000 4.670) 4.674 4.140 ( -2.136 0.000 0.848) 2.298 4.169 ( -6.307 0.000 4.248) 7.604 4.212 ( 1.712 0.000 -1.593) 2.338 4.401 ( 1.989 0.000 4.122) 4.577 4.481 ( 0.542 0.000 -3.329) 3.373 4.514 ( 1.810 0.000 2.294) 2.922 4.593 ( 3.594 0.000 0.147) 3.597 4.777 ( -4.914 0.000 3.991) 6.330 4.974 ( -3.917 0.000 8.239) 9.123 4.999 ( 8.475 0.000 -2.264) 8.772 5.135 ( 3.852 0.000 2.570) 4.631 5.200 ( -8.855 0.000 -3.629) 9.569 5.345 ( -2.703 0.000 1.320) 3.008 5.392 ( 4.701 0.000 -8.822) 9.997 5.541 ( -4.913 0.000 10.224) 11.344 5.748 ( -0.092 0.000 -7.325) 7.325 5.821 ( 0.786 0.000 5.858) 5.911 5.846 ( 2.078 0.000 3.748) 4.286 6.173 ( 1.066 0.000 -13.001) 13.044 6.533 ( 4.454 0.000 1.807) 4.806 6.608 ( -4.693 0.000 -0.763) 4.755 6.727 ( 3.939 0.000 1.522) 4.222 6.837 ( -4.126 0.000 -3.865) 5.654 7.118 ( 5.606 0.000 -0.649) 5.644 7.134 ( 1.909 0.000 -3.460) 3.952 7.525 ( -8.229 0.000 9.815) 12.808 7.592 ( 5.407 0.000 8.485) 10.062 7.748 ( 0.739 0.000 -2.324) 2.439 7.838 ( -3.479 0.000 -7.408) 8.185 8.128 ( -1.483 0.000 -3.041) 3.383 8.472 ( 0.472 0.000 -12.738) 12.747 9.025 ( -5.322 0.000 -0.630) 5.359 9.097 ( 11.902 0.000 -1.606) 12.010 9.329 ( -2.429 0.000 0.913) 2.595 9.424 ( -0.149 0.000 -1.663) 1.669 9.436 ( 2.216 0.000 6.405) 6.778 9.503 ( 1.276 0.000 4.055) 4.251 9.602 ( 3.808 0.000 -2.905) 4.790 9.747 ( 0.663 0.000 9.335) 9.358 9.858 ( -1.613 0.000 -7.759) 7.925 10.019 ( 7.337 0.000 -4.018) 8.365 10.060 ( -2.492 0.000 5.966) 6.466 10.201 ( 0.805 0.000 1.184) 1.431 10.531 ( 0.392 0.000 -0.073) 0.399 10.548 ( -23.979 0.000 -0.888) 23.995 10.826 ( -1.393 0.000 -1.932) 2.381 10.830 ( 5.279 0.000 -1.606) 5.518 10.929 ( 2.000 0.000 1.873) 2.740 10.934 ( -5.734 0.000 1.612) 5.956 11.133 ( 4.061 0.000 1.095) 4.206 11.195 ( -2.029 0.000 -0.849) 2.199 11.296 ( -1.857 0.000 2.843) 3.396 11.510 ( -3.128 0.000 -5.082) 5.968 12.297 ( 1.768 0.000 0.693) 1.899 12.376 ( -3.406 0.000 -2.712) 4.354 12.711 ( -0.760 0.000 3.071) 3.163 12.818 ( -0.003 0.000 -1.390) 1.390 13.786 ( -0.395 0.000 0.970) 1.048 13.879 ( 1.141 0.000 -3.580) 3.757 14.069 ( -1.577 0.000 3.871) 4.180 14.173 ( 0.990 0.000 -0.990) 1.400 14.877 ( 2.285 0.000 0.556) 2.352 14.934 ( -7.385 0.000 -2.614) 7.834 15.074 ( 6.822 0.000 1.463) 6.978 15.171 ( -2.896 0.000 -4.672) 5.497 15.201 ( 4.913 0.000 4.104) 6.401 15.389 ( -4.821 0.000 1.461) 5.037 15.440 ( -2.264 0.000 1.156) 2.542 15.482 ( 4.598 0.000 -3.765) 5.943 15.578 ( -0.070 0.000 -1.634) 1.636 15.586 ( 0.027 0.000 -0.636) 0.637 15.977 ( 32.314 0.000 8.393) 33.386 16.223 ( 3.781 0.000 0.032) 3.782 16.238 ( -5.680 0.000 -1.793) 5.956 16.327 ( -24.923 0.000 -3.312) 25.142 16.724 ( 1.083 0.000 4.275) 4.410 16.949 ( 0.291 0.000 -5.159) 5.167 17.512 ( -0.614 0.000 1.299) 1.437 17.590 ( -0.152 0.000 -1.540) 1.547 17.956 ( 1.242 0.000 1.281) 1.785 17.972 ( -0.973 0.000 0.574) 1.130 21.697 ( -2.559 0.000 0.105) 2.561 21.722 ( 0.441 0.000 -0.915) 1.016 22.512 ( -0.642 0.000 2.111) 2.206 22.599 ( 0.458 0.000 -1.298) 1.377 26.839 ( -0.099 0.000 0.131) 0.164 26.859 ( 0.490 0.000 -0.897) 1.022 27.033 ( -1.635 0.000 4.421) 4.714 27.240 ( 10.263 0.000 -3.778) 10.937 28.480 ( 1.524 0.000 0.351) 1.563 28.490 ( -1.512 0.000 0.233) 1.529 28.602 ( -5.367 0.000 -0.384) 5.381 28.650 ( -0.111 0.000 -1.923) 1.926 29.561 ( 41.952 0.000 0.996) 41.964 29.645 ( -18.448 0.000 -3.017) 18.693 29.817 ( 14.148 0.000 4.760) 14.927 29.975 ( -6.430 0.000 -2.215) 6.801 30.553 ( 2.312 0.000 0.960) 2.503 30.595 ( -1.948 0.000 -0.627) 2.047 30.665 ( -0.144 0.000 -0.324) 0.355 30.717 ( -5.450 0.000 -2.879) 6.164 30.973 ( 17.307 0.000 0.203) 17.309 31.023 ( -3.094 0.000 -1.197) 3.317 31.140 ( 0.353 0.000 2.204) 2.232 31.163 ( -4.731 0.000 2.816) 5.506 32.159 ( -0.577 0.000 6.488) 6.514 32.400 ( -0.171 0.000 -2.911) 2.916 32.937 ( -0.146 0.000 1.518) 1.525 33.008 ( 0.330 0.000 -0.579) 0.667 34.013 ( -0.015 0.000 0.248) 0.248 34.125 ( 0.518 0.000 -4.284) 4.315 34.752 ( -28.073 0.000 0.949) 28.089 34.791 ( 4.395 0.000 -0.554) 4.430 ======================= Grid point 92 (26/88) ======================= q-point: ( 0.10 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( 12.492 0.000 15.263) 19.723 0.951 ( 19.553 0.000 17.318) 26.120 1.161 ( 2.313 0.000 20.234) 20.366 1.539 ( 12.630 0.000 7.405) 14.641 1.767 ( 21.818 0.000 -11.972) 24.887 2.106 ( -0.778 0.000 7.600) 7.640 2.249 ( 1.594 0.000 -5.531) 5.756 2.295 ( 7.943 0.000 4.018) 8.901 2.329 ( 1.532 0.000 -11.848) 11.947 2.518 ( 5.644 0.000 -11.290) 12.622 2.750 ( -3.014 0.000 -6.481) 7.147 2.795 ( 4.508 0.000 1.093) 4.638 3.070 ( -6.930 0.000 6.696) 9.636 3.166 ( -4.426 0.000 0.513) 4.455 3.441 ( -2.706 0.000 13.886) 14.147 3.653 ( 5.621 0.000 2.082) 5.994 3.721 ( -0.178 0.000 -12.172) 12.173 3.813 ( 9.742 0.000 -1.830) 9.912 4.104 ( 6.742 0.000 5.719) 8.841 4.109 ( 0.834 0.000 0.745) 1.118 4.286 ( 15.207 0.000 7.492) 16.953 4.306 ( 1.819 0.000 0.713) 1.954 4.467 ( 2.717 0.000 0.604) 2.784 4.543 ( 10.182 0.000 0.145) 10.183 4.551 ( -12.169 0.000 6.165) 13.641 4.648 ( 8.594 0.000 -1.663) 8.753 4.693 ( 7.744 0.000 -1.252) 7.844 4.965 ( -6.548 0.000 -8.066) 10.389 4.974 ( 0.524 0.000 4.158) 4.191 5.180 ( 6.666 0.000 0.419) 6.679 5.317 ( -1.182 0.000 9.329) 9.403 5.397 ( 3.585 0.000 -7.359) 8.185 5.534 ( 5.718 0.000 -0.086) 5.718 5.618 ( 18.894 0.000 5.402) 19.651 5.660 ( 0.294 0.000 -6.711) 6.718 5.925 ( 5.772 0.000 1.662) 6.007 5.961 ( 5.707 0.000 4.017) 6.979 6.080 ( 0.304 0.000 -10.594) 10.598 6.515 ( -3.863 0.000 2.994) 4.888 6.597 ( 0.887 0.000 1.505) 1.747 6.630 ( -7.797 0.000 -2.877) 8.311 6.900 ( 7.238 0.000 0.275) 7.243 7.055 ( -5.486 0.000 -7.870) 9.594 7.251 ( 4.746 0.000 -2.506) 5.367 7.474 ( -0.982 0.000 8.073) 8.133 7.704 ( -1.183 0.000 -0.460) 1.269 7.727 ( -2.549 0.000 -3.263) 4.140 7.740 ( -0.160 0.000 7.639) 7.641 8.116 ( -1.046 0.000 2.964) 3.143 8.256 ( -9.293 0.000 -17.080) 19.445 8.828 ( -15.332 0.000 -0.500) 15.340 8.960 ( -16.560 0.000 9.181) 18.934 9.273 ( -6.057 0.000 4.007) 7.262 9.371 ( -3.134 0.000 -3.261) 4.522 9.471 ( 2.743 0.000 -1.305) 3.038 9.558 ( -13.302 0.000 -0.188) 13.303 9.592 ( 0.598 0.000 8.296) 8.317 9.678 ( -0.731 0.000 2.460) 2.566 9.789 ( -0.392 0.000 -7.409) 7.419 9.791 ( -2.996 0.000 5.010) 5.838 10.048 ( -3.717 0.000 5.492) 6.631 10.281 ( 3.590 0.000 -0.979) 3.721 10.511 ( -3.250 0.000 -0.295) 3.263 10.541 ( 1.177 0.000 -5.666) 5.787 10.814 ( -5.241 0.000 2.158) 5.668 10.833 ( 2.521 0.000 1.297) 2.835 10.959 ( 5.793 0.000 -3.655) 6.850 10.961 ( -0.687 0.000 2.830) 2.912 11.121 ( -5.462 0.000 -1.099) 5.571 11.269 ( 4.955 0.000 -0.163) 4.958 11.291 ( 1.344 0.000 5.839) 5.992 11.515 ( 3.557 0.000 -6.575) 7.476 12.370 ( 4.073 0.000 -3.342) 5.269 12.401 ( 6.294 0.000 1.349) 6.437 12.738 ( 0.956 0.000 1.608) 1.870 12.787 ( -1.885 0.000 -1.042) 2.154 13.759 ( -2.873 0.000 1.277) 3.144 13.827 ( -3.761 0.000 -3.223) 4.954 14.027 ( -4.959 0.000 2.762) 5.676 14.130 ( -3.609 0.000 -1.087) 3.769 14.831 ( -1.674 0.000 1.521) 2.261 14.981 ( 4.932 0.000 1.785) 5.246 15.069 ( -2.283 0.000 -4.427) 4.981 15.161 ( 1.497 0.000 1.959) 2.465 15.227 ( -7.015 0.000 -0.741) 7.054 15.388 ( 4.464 0.000 0.607) 4.505 15.405 ( 2.632 0.000 1.173) 2.882 15.541 ( 3.739 0.000 -1.378) 3.985 15.567 ( -0.412 0.000 -0.258) 0.486 15.577 ( -0.471 0.000 -0.438) 0.643 16.025 ( -5.630 0.000 10.413) 11.837 16.026 ( -8.161 0.000 -11.517) 14.116 16.381 ( 6.850 0.000 6.273) 9.288 16.437 ( 11.187 0.000 -6.226) 12.803 16.782 ( 1.935 0.000 2.506) 3.166 16.891 ( -1.264 0.000 -4.555) 4.727 17.518 ( -0.254 0.000 1.775) 1.793 17.585 ( 1.148 0.000 -1.120) 1.604 17.925 ( -3.759 0.000 -0.183) 3.763 17.971 ( -0.881 0.000 1.149) 1.447 21.687 ( 0.840 0.000 1.462) 1.686 21.740 ( 2.013 0.000 -0.485) 2.070 22.490 ( -3.277 0.000 2.146) 3.917 22.570 ( -2.050 0.000 -1.624) 2.615 26.822 ( -1.644 0.000 0.133) 1.649 26.849 ( -0.712 0.000 -0.953) 1.190 26.996 ( -4.702 0.000 1.847) 5.052 27.135 ( -9.263 0.000 0.189) 9.265 28.443 ( -1.700 0.000 -0.397) 1.746 28.516 ( 0.915 0.000 0.467) 1.027 28.574 ( -0.999 0.000 1.496) 1.799 28.633 ( 0.275 0.000 -0.295) 0.403 29.323 ( -9.611 0.000 -4.131) 10.461 29.754 ( -9.104 0.000 -4.933) 10.355 30.019 ( 8.310 0.000 -1.060) 8.377 30.098 ( 10.254 0.000 0.891) 10.293 30.576 ( 1.905 0.000 -1.868) 2.668 30.654 ( 5.065 0.000 1.445) 5.267 30.749 ( 6.063 0.000 0.976) 6.141 30.764 ( 9.665 0.000 1.362) 9.761 30.994 ( 2.062 0.000 -3.198) 3.805 31.097 ( -2.683 0.000 0.381) 2.710 31.166 ( 0.750 0.000 3.256) 3.341 31.573 ( 35.676 0.000 -24.080) 43.042 32.214 ( 0.082 0.000 8.499) 8.500 32.399 ( 3.008 0.000 -4.114) 5.097 32.959 ( 1.127 0.000 1.564) 1.928 33.010 ( 0.520 0.000 -1.346) 1.443 33.979 ( -3.991 0.000 0.219) 3.997 34.052 ( -4.389 0.000 -3.578) 5.662 34.364 ( -16.604 0.000 12.933) 21.047 34.827 ( -1.556 0.000 4.196) 4.476 ======================= Grid point 93 (27/88) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( 10.662 0.000 11.699) 15.829 1.395 ( 10.147 0.000 7.937) 12.883 1.442 ( 18.479 0.000 10.243) 21.128 1.865 ( 8.415 0.000 7.149) 11.042 1.898 ( 4.148 0.000 -21.002) 21.407 2.162 ( -1.700 0.000 -6.759) 6.970 2.202 ( 5.175 0.000 7.815) 9.373 2.301 ( 1.679 0.000 -4.110) 4.439 2.518 ( 9.123 0.000 4.015) 9.968 2.566 ( -4.971 0.000 -7.288) 8.822 2.771 ( 19.021 0.000 -5.620) 19.834 2.873 ( -0.591 0.000 2.564) 2.631 3.003 ( -0.891 0.000 3.160) 3.283 3.089 ( -2.759 0.000 1.180) 3.001 3.512 ( -1.180 0.000 14.755) 14.802 3.533 ( -6.476 0.000 -13.923) 15.355 3.856 ( 10.618 0.000 7.065) 12.753 3.972 ( 8.473 0.000 -1.742) 8.650 4.171 ( -4.248 0.000 10.839) 11.642 4.228 ( -8.696 0.000 1.299) 8.792 4.303 ( 4.780 0.000 1.375) 4.974 4.360 ( 5.916 0.000 -1.948) 6.229 4.614 ( 3.230 0.000 -9.771) 10.291 4.764 ( 9.768 0.000 7.843) 12.527 4.784 ( 24.122 0.000 5.897) 24.832 4.886 ( 11.743 0.000 1.790) 11.879 4.894 ( 17.627 0.000 0.319) 17.630 4.946 ( 8.099 0.000 -0.922) 8.151 5.066 ( 8.337 0.000 -1.662) 8.501 5.218 ( 0.862 0.000 -3.193) 3.307 5.405 ( 3.367 0.000 8.917) 9.532 5.420 ( 5.540 0.000 -8.439) 10.096 5.573 ( 0.307 0.000 5.320) 5.328 5.754 ( 10.791 0.000 0.308) 10.795 5.900 ( 6.174 0.000 -2.300) 6.589 6.017 ( 4.220 0.000 -4.676) 6.298 6.113 ( 15.079 0.000 -7.147) 16.687 6.156 ( 8.789 0.000 2.032) 9.021 6.456 ( -1.844 0.000 -3.083) 3.592 6.562 ( -6.990 0.000 -2.162) 7.316 6.712 ( 10.426 0.000 15.032) 18.294 6.743 ( -5.666 0.000 -15.186) 16.208 7.050 ( 0.541 0.000 5.838) 5.863 7.211 ( -3.844 0.000 -7.298) 8.248 7.623 ( 4.836 0.000 3.914) 6.222 7.661 ( -3.529 0.000 -1.189) 3.724 7.690 ( 2.282 0.000 -1.609) 2.792 7.753 ( -4.644 0.000 8.028) 9.274 7.915 ( -12.247 0.000 -6.908) 14.061 8.082 ( -5.075 0.000 2.297) 5.571 8.452 ( -18.989 0.000 -6.140) 19.957 8.738 ( -17.240 0.000 9.035) 19.464 9.181 ( -5.578 0.000 2.607) 6.157 9.226 ( -5.786 0.000 -5.196) 7.777 9.420 ( -1.827 0.000 -0.605) 1.925 9.508 ( 0.864 0.000 -2.264) 2.424 9.656 ( -0.948 0.000 6.324) 6.395 9.664 ( -0.329 0.000 -2.681) 2.701 9.731 ( -3.452 0.000 1.598) 3.804 9.799 ( 4.701 0.000 -2.560) 5.353 10.027 ( -3.085 0.000 6.104) 6.839 10.287 ( -1.602 0.000 -4.655) 4.923 10.418 ( -3.415 0.000 -3.921) 5.199 10.481 ( -1.650 0.000 -0.285) 1.674 10.748 ( -3.025 0.000 -0.684) 3.101 10.892 ( 0.804 0.000 2.037) 2.190 10.955 ( -2.203 0.000 4.177) 4.722 11.015 ( -5.130 0.000 2.577) 5.741 11.032 ( 4.477 0.000 -2.986) 5.381 11.278 ( -1.051 0.000 -3.856) 3.997 11.424 ( 3.379 0.000 9.487) 10.071 11.490 ( -1.342 0.000 -4.859) 5.041 12.460 ( 6.284 0.000 -0.591) 6.311 12.505 ( 3.197 0.000 -0.558) 3.245 12.746 ( -1.929 0.000 1.467) 2.424 12.759 ( 0.721 0.000 -0.762) 1.049 13.696 ( -6.470 0.000 -2.607) 6.975 13.705 ( -3.544 0.000 0.994) 3.680 13.955 ( -4.192 0.000 2.872) 5.082 14.045 ( -3.523 0.000 -2.026) 4.064 14.893 ( 3.853 0.000 6.856) 7.865 14.930 ( -2.639 0.000 -6.587) 7.096 15.099 ( 0.910 0.000 -3.868) 3.974 15.180 ( -0.451 0.000 0.870) 0.981 15.206 ( 2.960 0.000 9.543) 9.991 15.295 ( -5.575 0.000 -4.861) 7.396 15.525 ( -2.052 0.000 -1.617) 2.613 15.539 ( -1.219 0.000 -0.040) 1.220 15.590 ( 7.671 0.000 -3.370) 8.379 15.616 ( 3.726 0.000 -0.512) 3.761 15.824 ( -0.922 0.000 -11.146) 11.185 16.080 ( 0.960 0.000 9.002) 9.053 16.522 ( 1.933 0.000 6.054) 6.356 16.528 ( 4.123 0.000 -2.870) 5.023 16.829 ( 1.967 0.000 -0.807) 2.126 16.854 ( -0.120 0.000 -1.261) 1.267 17.528 ( -0.507 0.000 2.217) 2.274 17.619 ( 2.865 0.000 -0.378) 2.890 17.838 ( -4.665 0.000 -0.300) 4.675 17.940 ( -2.783 0.000 -0.075) 2.784 21.740 ( 3.360 0.000 1.264) 3.589 21.784 ( 2.842 0.000 -0.699) 2.927 22.434 ( -4.191 0.000 2.571) 4.916 22.495 ( -4.185 0.000 -2.116) 4.689 26.784 ( -2.429 0.000 0.481) 2.476 26.820 ( -1.316 0.000 -1.343) 1.880 26.909 ( -3.744 0.000 -0.781) 3.824 26.983 ( -6.729 0.000 0.570) 6.754 28.425 ( -0.257 0.000 0.312) 0.404 28.511 ( -0.197 0.000 -1.075) 1.093 28.561 ( -1.530 0.000 1.553) 2.180 28.652 ( -0.074 0.000 0.563) 0.567 29.243 ( 2.080 0.000 1.868) 2.796 29.549 ( -7.017 0.000 -6.075) 9.281 30.118 ( 1.906 0.000 3.880) 4.323 30.176 ( -0.424 0.000 -5.210) 5.227 30.635 ( 4.853 0.000 -0.359) 4.866 30.729 ( 2.242 0.000 1.387) 2.636 30.826 ( 1.378 0.000 0.924) 1.660 30.932 ( -0.357 0.000 1.024) 1.084 31.029 ( 2.819 0.000 -5.467) 6.151 31.155 ( 14.573 0.000 -2.193) 14.737 31.267 ( 5.478 0.000 7.791) 9.524 31.896 ( 17.994 0.000 -18.250) 25.629 32.304 ( 0.827 0.000 10.876) 10.908 32.449 ( 5.996 0.000 -4.996) 7.805 33.000 ( 1.832 0.000 1.545) 2.397 33.003 ( 0.502 0.000 -2.546) 2.595 33.855 ( -9.230 0.000 0.610) 9.250 33.914 ( -7.433 0.000 -1.451) 7.573 34.238 ( -5.874 0.000 5.606) 8.120 34.826 ( -2.585 0.000 6.227) 6.742 ======================= Grid point 94 (28/88) ======================= q-point: ( 0.30 0.00 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( 14.643 0.000 6.151) 15.883 1.673 ( 10.933 0.000 8.873) 14.080 1.783 ( 8.134 0.000 -4.072) 9.096 1.799 ( 4.631 0.000 -4.254) 6.289 1.956 ( -1.319 0.000 5.137) 5.304 2.022 ( -4.958 0.000 -6.728) 8.358 2.280 ( -3.405 0.000 -5.086) 6.120 2.372 ( 5.375 0.000 3.205) 6.258 2.420 ( -2.502 0.000 -3.054) 3.948 2.574 ( -5.889 0.000 2.709) 6.482 2.780 ( -6.872 0.000 2.222) 7.222 3.063 ( 11.094 0.000 -3.033) 11.501 3.125 ( 5.930 0.000 1.775) 6.189 3.162 ( 9.497 0.000 1.099) 9.561 3.312 ( -4.361 0.000 -9.227) 10.206 3.616 ( -2.416 0.000 13.046) 13.268 4.009 ( -5.924 0.000 11.060) 12.547 4.103 ( -11.661 0.000 -9.177) 14.839 4.172 ( 9.027 0.000 0.141) 9.028 4.186 ( 12.808 0.000 4.793) 13.676 4.276 ( 1.426 0.000 9.061) 9.173 4.548 ( 10.880 0.000 1.838) 11.034 4.759 ( 13.763 0.000 -5.664) 14.883 4.868 ( -2.489 0.000 2.237) 3.347 4.994 ( 3.284 0.000 -10.167) 10.684 5.087 ( 5.595 0.000 3.627) 6.668 5.123 ( 6.298 0.000 4.864) 7.957 5.279 ( 10.586 0.000 -2.212) 10.815 5.297 ( 13.180 0.000 3.352) 13.599 5.355 ( 21.051 0.000 0.119) 21.051 5.525 ( 11.755 0.000 -5.259) 12.878 5.605 ( 7.992 0.000 3.112) 8.577 5.680 ( 8.434 0.000 8.136) 11.719 5.873 ( 1.226 0.000 -13.717) 13.772 6.035 ( 12.624 0.000 -2.324) 12.836 6.143 ( 5.649 0.000 0.086) 5.649 6.265 ( 4.617 0.000 -6.158) 7.696 6.303 ( 5.802 0.000 0.455) 5.820 6.418 ( 3.791 0.000 3.283) 5.015 6.452 ( 6.838 0.000 -7.335) 10.027 6.674 ( 3.455 0.000 -3.101) 4.642 7.018 ( -4.995 0.000 -4.776) 6.911 7.063 ( -3.489 0.000 2.876) 4.522 7.106 ( 9.276 0.000 15.773) 18.298 7.528 ( -7.148 0.000 -9.709) 12.057 7.529 ( -8.419 0.000 -1.987) 8.651 7.666 ( -3.494 0.000 5.490) 6.508 7.698 ( -6.000 0.000 3.863) 7.136 7.918 ( 0.560 0.000 5.469) 5.497 7.971 ( -7.496 0.000 1.155) 7.585 8.089 ( -8.333 0.000 -6.194) 10.383 8.369 ( -22.256 0.000 -2.578) 22.405 9.118 ( -3.201 0.000 3.096) 4.453 9.152 ( -0.186 0.000 -0.637) 0.664 9.397 ( -1.673 0.000 1.015) 1.957 9.413 ( -6.555 0.000 -4.410) 7.901 9.656 ( -0.108 0.000 1.515) 1.519 9.691 ( 5.394 0.000 -1.739) 5.667 9.765 ( -0.133 0.000 8.141) 8.142 9.885 ( 5.616 0.000 -1.167) 5.736 10.021 ( -1.849 0.000 4.055) 4.457 10.183 ( -3.888 0.000 -4.552) 5.987 10.346 ( 0.030 0.000 -5.067) 5.068 10.453 ( -2.689 0.000 -1.100) 2.905 10.688 ( -1.252 0.000 -1.066) 1.644 10.863 ( -4.003 0.000 0.519) 4.036 10.965 ( -3.402 0.000 6.317) 7.175 10.987 ( 1.161 0.000 2.427) 2.690 11.079 ( 2.967 0.000 -3.148) 4.326 11.214 ( -0.947 0.000 -5.632) 5.711 11.397 ( -4.494 0.000 -2.563) 5.174 11.514 ( -0.782 0.000 5.758) 5.810 12.508 ( -0.942 0.000 -2.095) 2.297 12.578 ( 5.508 0.000 0.659) 5.547 12.747 ( -0.613 0.000 3.676) 3.727 12.752 ( -0.126 0.000 -2.417) 2.420 13.563 ( -5.397 0.000 -0.969) 5.484 13.647 ( -2.933 0.000 0.391) 2.959 13.927 ( -2.102 0.000 4.579) 5.039 13.966 ( -2.615 0.000 -2.369) 3.528 14.846 ( -0.002 0.000 -6.773) 6.773 15.039 ( 2.971 0.000 4.897) 5.727 15.089 ( 1.108 0.000 -1.665) 2.000 15.148 ( 0.046 0.000 -3.648) 3.649 15.187 ( -1.718 0.000 1.284) 2.145 15.357 ( 2.584 0.000 9.821) 10.155 15.461 ( -3.044 0.000 -0.953) 3.190 15.461 ( -4.270 0.000 -3.403) 5.460 15.681 ( 4.002 0.000 -1.769) 4.375 15.687 ( 5.638 0.000 -5.128) 7.622 15.807 ( 3.502 0.000 -3.546) 4.984 16.138 ( -2.866 0.000 6.625) 7.218 16.586 ( 2.030 0.000 2.674) 3.357 16.597 ( 5.911 0.000 -2.286) 6.338 16.841 ( -1.605 0.000 1.157) 1.979 16.843 ( 0.883 0.000 -2.373) 2.532 17.539 ( -0.298 0.000 2.751) 2.767 17.674 ( 2.873 0.000 -0.623) 2.939 17.752 ( -4.198 0.000 0.336) 4.212 17.868 ( -3.793 0.000 -1.320) 4.016 21.833 ( 5.276 0.000 0.989) 5.368 21.834 ( 3.194 0.000 -1.205) 3.414 22.376 ( -4.166 0.000 2.810) 5.025 22.379 ( -5.874 0.000 -2.138) 6.251 26.741 ( -2.713 0.000 1.161) 2.951 26.775 ( -1.902 0.000 -1.525) 2.438 26.862 ( -0.897 0.000 -0.345) 0.961 26.885 ( -3.709 0.000 0.042) 3.709 28.435 ( 0.539 0.000 1.197) 1.313 28.508 ( 0.439 0.000 -0.518) 0.679 28.542 ( -1.643 0.000 1.369) 2.138 28.621 ( -1.772 0.000 -2.128) 2.769 29.385 ( 7.070 0.000 7.213) 10.100 29.397 ( -3.919 0.000 -4.828) 6.219 30.033 ( -7.459 0.000 -7.522) 10.593 30.161 ( -0.819 0.000 3.651) 3.742 30.733 ( 3.977 0.000 0.951) 4.089 30.774 ( 1.607 0.000 0.823) 1.805 30.870 ( 2.329 0.000 3.802) 4.458 30.872 ( -3.703 0.000 -0.250) 3.712 30.985 ( -1.540 0.000 -6.163) 6.352 31.447 ( 4.752 0.000 8.905) 10.093 31.472 ( 17.577 0.000 -3.652) 17.953 32.023 ( 8.624 0.000 -11.637) 14.484 32.407 ( -0.113 0.000 11.438) 11.439 32.537 ( 6.718 0.000 -4.623) 8.155 33.002 ( 2.633 0.000 -3.732) 4.567 33.064 ( 3.579 0.000 2.267) 4.237 33.641 ( -12.516 0.000 -0.862) 12.546 33.751 ( -8.948 0.000 0.417) 8.958 34.203 ( -0.832 0.000 1.269) 1.518 34.827 ( -1.471 0.000 2.726) 3.097 ======================= Grid point 95 (29/88) ======================= q-point: ( 0.40 0.00 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( 0.471 0.000 0.640) 0.795 1.819 ( 10.051 0.000 4.214) 10.899 1.873 ( 1.403 0.000 -1.652) 2.167 1.927 ( 9.082 0.000 2.226) 9.351 1.958 ( -3.016 0.000 7.993) 8.543 1.983 ( 3.929 0.000 -1.512) 4.210 2.180 ( -1.418 0.000 -2.591) 2.954 2.370 ( -1.811 0.000 -0.583) 1.903 2.383 ( -5.874 0.000 -2.466) 6.371 2.483 ( -1.678 0.000 1.238) 2.086 2.699 ( -3.129 0.000 3.053) 4.372 3.131 ( 2.589 0.000 -2.049) 3.302 3.249 ( 0.060 0.000 -4.035) 4.036 3.265 ( 0.971 0.000 -0.692) 1.192 3.325 ( 9.974 0.000 1.494) 10.085 3.559 ( -10.119 0.000 7.900) 12.838 3.774 ( -9.220 0.000 -5.330) 10.649 4.123 ( 4.369 0.000 11.360) 12.171 4.332 ( -0.193 0.000 2.106) 2.115 4.397 ( 8.519 0.000 4.072) 9.442 4.457 ( 6.000 0.000 10.697) 12.265 4.717 ( -0.752 0.000 5.436) 5.488 4.822 ( 1.446 0.000 1.610) 2.164 4.941 ( -0.938 0.000 -4.846) 4.936 4.995 ( 14.626 0.000 -4.342) 15.257 5.191 ( 2.710 0.000 2.976) 4.025 5.217 ( 1.548 0.000 -2.486) 2.928 5.402 ( 5.232 0.000 -4.295) 6.769 5.528 ( 7.007 0.000 1.543) 7.175 5.533 ( 5.951 0.000 -22.261) 23.043 5.686 ( -0.084 0.000 -0.169) 0.189 5.720 ( 0.770 0.000 -1.492) 1.679 5.818 ( 14.184 0.000 -2.955) 14.489 6.009 ( 16.306 0.000 2.902) 16.562 6.211 ( 1.627 0.000 6.308) 6.515 6.239 ( 0.367 0.000 -4.042) 4.059 6.310 ( 12.568 0.000 1.098) 12.616 6.503 ( 10.012 0.000 -1.728) 10.160 6.544 ( 6.247 0.000 -4.850) 7.909 6.560 ( 3.831 0.000 6.485) 7.531 6.781 ( 7.015 0.000 -0.480) 7.031 6.872 ( -1.692 0.000 -3.849) 4.205 6.963 ( -8.122 0.000 1.298) 8.225 7.282 ( -6.937 0.000 -3.224) 7.650 7.366 ( -1.632 0.000 -6.913) 7.103 7.384 ( -7.183 0.000 11.670) 13.703 7.628 ( -6.470 0.000 5.393) 8.423 7.633 ( -0.360 0.000 1.271) 1.321 7.779 ( -4.759 0.000 -3.380) 5.837 7.848 ( -4.667 0.000 2.193) 5.156 7.948 ( -13.898 0.000 -6.437) 15.317 8.117 ( 2.506 0.000 2.251) 3.369 9.111 ( -0.755 0.000 4.131) 4.200 9.160 ( 0.409 0.000 0.358) 0.544 9.264 ( -4.830 0.000 -1.968) 5.216 9.368 ( -2.248 0.000 1.420) 2.659 9.668 ( -0.602 0.000 2.141) 2.225 9.803 ( -2.982 0.000 7.444) 8.019 9.809 ( 6.337 0.000 -0.773) 6.384 9.998 ( 7.741 0.000 -3.028) 8.312 10.036 ( 1.232 0.000 1.596) 2.016 10.075 ( -3.948 0.000 -3.060) 4.995 10.336 ( 2.761 0.000 -4.232) 5.053 10.359 ( -4.593 0.000 -1.126) 4.729 10.688 ( 0.424 0.000 0.402) 0.584 10.777 ( -4.590 0.000 -0.166) 4.593 10.960 ( -2.500 0.000 6.190) 6.676 11.023 ( 0.179 0.000 1.679) 1.688 11.101 ( 2.658 0.000 -3.785) 4.625 11.164 ( 0.677 0.000 -4.905) 4.952 11.299 ( -3.859 0.000 -0.871) 3.956 11.500 ( -2.452 0.000 -0.484) 2.500 12.474 ( -0.746 0.000 -0.278) 0.796 12.674 ( 3.661 0.000 -0.048) 3.662 12.719 ( -0.558 0.000 -2.830) 2.884 12.758 ( -1.342 0.000 2.691) 3.008 13.481 ( -2.892 0.000 0.950) 3.044 13.601 ( -1.669 0.000 -0.661) 1.795 13.917 ( -0.582 0.000 -1.156) 1.295 13.927 ( -2.099 0.000 3.963) 4.484 14.827 ( 3.046 0.000 -5.080) 5.923 15.036 ( 1.273 0.000 -3.430) 3.659 15.110 ( 1.219 0.000 0.754) 1.433 15.153 ( -1.904 0.000 -2.022) 2.777 15.241 ( 0.664 0.000 3.234) 3.302 15.350 ( -4.056 0.000 -2.929) 5.003 15.369 ( -0.570 0.000 2.259) 2.330 15.490 ( 0.212 0.000 9.182) 9.184 15.745 ( 4.641 0.000 -2.944) 5.496 15.746 ( 4.182 0.000 -2.938) 5.111 15.846 ( 2.335 0.000 -1.653) 2.861 16.073 ( -6.992 0.000 2.369) 7.383 16.649 ( 2.515 0.000 0.477) 2.560 16.711 ( 6.857 0.000 -2.085) 7.167 16.814 ( -2.190 0.000 2.042) 2.995 16.825 ( -0.716 0.000 -1.882) 2.013 17.562 ( -0.151 0.000 3.393) 3.396 17.685 ( -3.083 0.000 0.904) 3.213 17.710 ( 1.730 0.000 -1.702) 2.427 17.788 ( -2.717 0.000 -1.609) 3.158 21.889 ( 3.150 0.000 -0.336) 3.168 21.954 ( 6.219 0.000 0.554) 6.243 22.244 ( -6.164 0.000 -1.348) 6.310 22.314 ( -4.029 0.000 1.285) 4.229 26.702 ( -2.234 0.000 1.529) 2.707 26.737 ( -0.777 0.000 -0.986) 1.255 26.838 ( -1.323 0.000 -0.100) 1.327 26.852 ( -0.228 0.000 -0.176) 0.288 28.457 ( 0.326 0.000 1.335) 1.374 28.512 ( 0.369 0.000 -0.979) 1.046 28.522 ( -1.384 0.000 1.207) 1.836 28.578 ( -0.569 0.000 -1.712) 1.804 29.327 ( -0.336 0.000 -1.854) 1.884 29.577 ( 5.733 0.000 4.703) 7.416 29.822 ( -7.183 0.000 -4.277) 8.360 30.144 ( -2.677 0.000 0.720) 2.772 30.778 ( 0.896 0.000 -0.473) 1.013 30.798 ( -0.194 0.000 -0.503) 0.540 30.819 ( -0.929 0.000 0.688) 1.156 30.898 ( -1.140 0.000 -5.622) 5.736 31.005 ( 3.252 0.000 12.887) 13.291 31.573 ( 1.149 0.000 7.504) 7.591 31.725 ( 12.674 0.000 -7.085) 14.520 32.049 ( 2.294 0.000 -7.741) 8.074 32.469 ( -2.536 0.000 9.530) 9.861 32.615 ( 4.362 0.000 -2.922) 5.250 33.058 ( 6.866 0.000 -4.845) 8.403 33.184 ( 6.526 0.000 2.577) 7.016 33.378 ( -12.664 0.000 -1.903) 12.806 33.581 ( -9.134 0.000 1.281) 9.223 34.225 ( 1.762 0.000 1.836) 2.544 34.797 ( -1.658 0.000 -3.544) 3.913 ======================= Grid point 96 (30/88) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( 2.337 0.000 5.059) 5.573 1.921 ( -3.630 0.000 2.714) 4.532 1.937 ( -3.435 0.000 5.726) 6.678 1.954 ( 3.547 0.000 3.283) 4.833 2.031 ( 1.434 0.000 -0.564) 1.541 2.062 ( 1.598 0.000 0.563) 1.694 2.198 ( 3.944 0.000 1.276) 4.145 2.244 ( -3.169 0.000 -4.871) 5.811 2.357 ( 0.600 0.000 1.029) 1.191 2.458 ( -0.746 0.000 -2.805) 2.902 2.724 ( 1.422 0.000 6.171) 6.332 3.111 ( -6.830 0.000 -10.188) 12.266 3.242 ( -1.152 0.000 -1.190) 1.656 3.251 ( 8.273 0.000 5.286) 9.818 3.381 ( -0.821 0.000 -3.891) 3.977 3.410 ( -9.534 0.000 2.573) 9.875 3.875 ( 12.829 0.000 12.286) 17.763 4.098 ( -10.914 0.000 2.951) 11.306 4.457 ( 7.313 0.000 6.311) 9.659 4.491 ( -3.110 0.000 2.517) 4.001 4.565 ( -4.154 0.000 9.414) 10.290 4.656 ( -6.543 0.000 4.341) 7.852 4.898 ( 0.354 0.000 -2.338) 2.365 4.902 ( 0.206 0.000 6.175) 6.178 5.125 ( -3.223 0.000 -7.012) 7.718 5.209 ( -2.788 0.000 -0.773) 2.893 5.229 ( 10.190 0.000 -4.245) 11.039 5.425 ( 2.146 0.000 -4.442) 4.933 5.489 ( 6.146 0.000 -16.569) 17.672 5.543 ( -7.257 0.000 -7.815) 10.665 5.616 ( 0.074 0.000 1.340) 1.342 5.788 ( 4.811 0.000 -1.529) 5.048 5.906 ( -0.148 0.000 -3.908) 3.910 6.116 ( -5.037 0.000 -7.789) 9.276 6.273 ( -4.134 0.000 9.432) 10.298 6.341 ( 8.176 0.000 2.687) 8.606 6.465 ( 0.760 0.000 7.724) 7.761 6.571 ( -5.992 0.000 1.513) 6.180 6.647 ( 4.819 0.000 2.555) 5.454 6.693 ( 6.485 0.000 -1.583) 6.676 6.800 ( -6.127 0.000 3.095) 6.864 6.869 ( 2.475 0.000 -1.720) 3.014 6.889 ( 2.427 0.000 -5.320) 5.847 7.091 ( -2.157 0.000 -10.572) 10.790 7.213 ( -11.316 0.000 4.232) 12.082 7.361 ( 5.725 0.000 -4.115) 7.051 7.561 ( -2.081 0.000 3.313) 3.912 7.639 ( -0.661 0.000 0.770) 1.015 7.740 ( 1.838 0.000 -1.349) 2.280 7.754 ( -0.622 0.000 -2.449) 2.527 7.961 ( 6.967 0.000 7.341) 10.121 8.129 ( -2.526 0.000 0.074) 2.527 9.118 ( -2.134 0.000 2.784) 3.508 9.167 ( 0.191 0.000 0.146) 0.241 9.251 ( 3.902 0.000 2.852) 4.833 9.333 ( -1.739 0.000 -0.358) 1.776 9.658 ( -2.636 0.000 2.494) 3.628 9.782 ( -4.041 0.000 5.595) 6.902 9.866 ( 0.467 0.000 -2.522) 2.565 9.978 ( -2.314 0.000 -3.584) 4.266 10.076 ( 0.781 0.000 1.603) 1.783 10.139 ( 7.054 0.000 -1.303) 7.173 10.300 ( -0.357 0.000 0.182) 0.401 10.378 ( 5.106 0.000 -4.175) 6.596 10.690 ( -0.364 0.000 0.584) 0.688 10.697 ( -3.510 0.000 0.342) 3.527 10.954 ( -3.315 0.000 4.465) 5.561 11.021 ( -1.146 0.000 1.469) 1.863 11.133 ( 3.914 0.000 -4.573) 6.020 11.176 ( 3.475 0.000 -2.142) 4.082 11.239 ( -1.967 0.000 0.990) 2.202 11.426 ( -2.535 0.000 -4.835) 5.459 12.492 ( 1.889 0.000 2.036) 2.777 12.653 ( -1.523 0.000 -4.126) 4.398 12.735 ( -2.616 0.000 1.132) 2.851 12.755 ( 2.867 0.000 0.516) 2.913 13.471 ( 0.433 0.000 2.250) 2.291 13.572 ( -0.279 0.000 -1.756) 1.778 13.902 ( -2.744 0.000 1.791) 3.277 13.934 ( 2.367 0.000 0.912) 2.536 14.876 ( 4.793 0.000 -2.083) 5.226 15.024 ( -6.417 0.000 -6.614) 9.216 15.070 ( 3.333 0.000 -0.827) 3.434 15.141 ( 0.436 0.000 2.568) 2.605 15.233 ( -4.410 0.000 -5.002) 6.668 15.233 ( 0.195 0.000 0.656) 0.684 15.474 ( 2.768 0.000 7.810) 8.286 15.541 ( -1.648 0.000 6.707) 6.906 15.794 ( 2.288 0.000 -2.118) 3.117 15.805 ( 4.360 0.000 -4.309) 6.130 15.881 ( 2.579 0.000 0.900) 2.731 15.937 ( -7.266 0.000 -0.522) 7.285 16.668 ( -1.092 0.000 -0.074) 1.094 16.745 ( -1.577 0.000 -3.532) 3.868 16.799 ( -0.924 0.000 1.755) 1.984 16.845 ( 3.806 0.000 0.341) 3.822 17.571 ( -1.934 0.000 3.390) 3.903 17.665 ( 0.305 0.000 1.538) 1.568 17.719 ( 0.843 0.000 -2.209) 2.364 17.747 ( 0.124 0.000 -1.760) 1.764 21.941 ( 1.220 0.000 1.460) 1.902 22.020 ( -1.974 0.000 -1.602) 2.542 22.182 ( 2.759 0.000 1.431) 3.108 22.250 ( -2.146 0.000 -1.212) 2.465 26.685 ( -0.713 0.000 1.341) 1.519 26.732 ( 0.990 0.000 -0.510) 1.114 26.827 ( 0.030 0.000 0.157) 0.160 26.844 ( -0.266 0.000 -0.469) 0.540 28.459 ( -0.901 0.000 0.683) 1.130 28.506 ( 0.297 0.000 -1.308) 1.342 28.515 ( -0.478 0.000 1.383) 1.463 28.576 ( 1.172 0.000 -0.823) 1.433 29.354 ( 3.055 0.000 1.805) 3.548 29.521 ( -7.174 0.000 -6.134) 9.439 29.861 ( 6.932 0.000 6.509) 9.509 30.077 ( -2.921 0.000 -3.131) 4.282 30.781 ( 0.339 0.000 -0.860) 0.924 30.783 ( 0.072 0.000 -0.508) 0.513 30.823 ( -0.375 0.000 0.650) 0.750 30.847 ( -1.244 0.000 -1.136) 1.685 31.192 ( 3.450 0.000 15.546) 15.925 31.610 ( -3.492 0.000 7.108) 7.920 31.833 ( 6.186 0.000 -12.482) 13.931 31.989 ( -2.029 0.000 -5.817) 6.161 32.465 ( -4.929 0.000 7.609) 9.066 32.660 ( 2.135 0.000 -1.173) 2.437 33.121 ( -8.827 0.000 -4.346) 9.839 33.168 ( 6.895 0.000 -4.090) 8.017 33.373 ( 7.689 0.000 4.719) 9.021 33.438 ( -5.069 0.000 0.406) 5.085 34.296 ( 2.204 0.000 5.607) 6.024 34.700 ( -2.858 0.000 -9.192) 9.626 ======================= Grid point 98 (31/88) ======================= q-point: (-0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( -18.113 0.000 6.149) 19.128 1.886 ( -6.086 0.000 2.592) 6.615 1.907 ( -9.045 0.000 -1.602) 9.186 1.953 ( 4.874 0.000 2.728) 5.585 2.021 ( -3.421 0.000 1.347) 3.677 2.113 ( 6.152 0.000 5.368) 8.164 2.222 ( 5.087 0.000 -9.141) 10.461 2.351 ( 9.755 0.000 1.358) 9.849 2.401 ( 1.879 0.000 2.443) 3.082 2.411 ( -1.592 0.000 -2.527) 2.987 2.817 ( 0.089 0.000 9.375) 9.375 2.924 ( -3.117 0.000 -7.740) 8.344 3.126 ( -8.859 0.000 -4.877) 10.112 3.289 ( -4.372 0.000 -3.406) 5.542 3.340 ( 1.808 0.000 0.617) 1.911 3.522 ( 10.274 0.000 9.908) 14.273 3.907 ( -8.463 0.000 -0.709) 8.492 4.242 ( 12.678 0.000 10.240) 16.296 4.344 ( -11.014 0.000 0.334) 11.019 4.437 ( -13.188 0.000 8.350) 15.609 4.520 ( -11.178 0.000 11.979) 16.384 4.607 ( -1.254 0.000 0.417) 1.322 4.883 ( -1.263 0.000 -3.482) 3.704 4.888 ( -7.314 0.000 1.672) 7.503 5.031 ( -2.030 0.000 -5.073) 5.464 5.108 ( -1.494 0.000 -1.259) 1.954 5.271 ( -0.437 0.000 -10.109) 10.118 5.350 ( -3.985 0.000 -8.724) 9.591 5.387 ( -4.811 0.000 0.288) 4.820 5.487 ( -0.319 0.000 0.218) 0.387 5.590 ( -4.489 0.000 1.662) 4.787 5.749 ( -4.561 0.000 -8.447) 9.599 5.873 ( -13.476 0.000 -4.554) 14.224 5.897 ( -1.439 0.000 2.006) 2.469 6.258 ( -1.291 0.000 4.425) 4.609 6.325 ( -9.162 0.000 1.593) 9.299 6.352 ( -14.020 0.000 -1.582) 14.109 6.473 ( -7.868 0.000 2.921) 8.392 6.527 ( -12.981 0.000 -1.339) 13.050 6.640 ( -5.428 0.000 -4.341) 6.950 6.857 ( 1.555 0.000 -3.755) 4.064 6.878 ( 5.636 0.000 -2.759) 6.275 6.967 ( 7.322 0.000 7.589) 10.545 7.056 ( -1.338 0.000 1.113) 1.740 7.200 ( 8.303 0.000 -3.140) 8.877 7.528 ( 11.811 0.000 0.743) 11.834 7.625 ( 5.791 0.000 6.114) 8.421 7.659 ( 2.317 0.000 0.862) 2.472 7.817 ( 6.696 0.000 -1.461) 6.854 7.819 ( 5.807 0.000 -2.444) 6.300 8.032 ( -4.083 0.000 -2.688) 4.888 8.137 ( 6.209 0.000 2.055) 6.540 9.110 ( -0.676 0.000 2.821) 2.901 9.185 ( 1.504 0.000 1.475) 2.107 9.307 ( 0.612 0.000 -2.822) 2.888 9.407 ( 8.142 0.000 2.626) 8.555 9.606 ( -4.606 0.000 3.363) 5.703 9.749 ( -3.671 0.000 3.887) 5.346 9.831 ( -0.474 0.000 -3.372) 3.405 9.892 ( -5.567 0.000 1.090) 5.673 10.076 ( -2.293 0.000 1.953) 3.012 10.220 ( 3.772 0.000 -2.806) 4.701 10.360 ( 5.649 0.000 -2.405) 6.139 10.453 ( 6.133 0.000 -5.443) 8.200 10.654 ( -2.018 0.000 2.126) 2.931 10.701 ( 1.019 0.000 1.911) 2.166 10.906 ( -3.231 0.000 1.563) 3.590 11.016 ( -1.368 0.000 3.011) 3.307 11.152 ( 0.258 0.000 -2.961) 2.972 11.191 ( 2.623 0.000 -4.696) 5.379 11.311 ( 5.633 0.000 4.373) 7.131 11.344 ( -1.489 0.000 -4.859) 5.082 12.568 ( 3.614 0.000 2.529) 4.411 12.590 ( -1.378 0.000 -3.495) 3.757 12.680 ( -3.511 0.000 0.250) 3.519 12.802 ( 1.576 0.000 0.351) 1.615 13.529 ( 3.430 0.000 2.330) 4.147 13.568 ( 1.622 0.000 -2.064) 2.625 13.869 ( -1.287 0.000 1.032) 1.650 14.010 ( 3.756 0.000 1.986) 4.249 14.849 ( -5.240 0.000 -6.517) 8.362 14.949 ( 2.691 0.000 -1.865) 3.274 15.113 ( -3.813 0.000 -0.021) 3.813 15.115 ( 0.923 0.000 -0.602) 1.102 15.182 ( 2.018 0.000 0.836) 2.184 15.279 ( 3.195 0.000 2.725) 4.199 15.544 ( -1.992 0.000 3.448) 3.983 15.553 ( 0.048 0.000 4.620) 4.621 15.790 ( -0.256 0.000 -3.397) 3.406 15.793 ( -5.631 0.000 -4.230) 7.043 15.829 ( 1.220 0.000 -4.069) 4.248 15.980 ( 4.679 0.000 5.732) 7.399 16.600 ( -5.766 0.000 0.291) 5.773 16.666 ( -3.682 0.000 -1.667) 4.042 16.808 ( 0.794 0.000 0.451) 0.913 16.906 ( 2.310 0.000 -0.642) 2.398 17.560 ( -1.888 0.000 3.716) 4.168 17.691 ( -1.455 0.000 -2.053) 2.517 17.709 ( 2.511 0.000 1.745) 3.058 17.776 ( 3.751 0.000 -2.367) 4.435 21.913 ( -5.851 0.000 -1.160) 5.965 21.936 ( -3.179 0.000 1.394) 3.471 22.240 ( 2.582 0.000 -1.424) 2.949 22.308 ( 6.919 0.000 1.344) 7.048 26.698 ( 1.032 0.000 0.927) 1.387 26.767 ( 2.885 0.000 -0.243) 2.896 26.835 ( -0.133 0.000 -0.591) 0.606 26.837 ( 0.751 0.000 0.172) 0.770 28.446 ( -0.782 0.000 1.060) 1.317 28.507 ( 0.616 0.000 -0.731) 0.956 28.520 ( -0.053 0.000 1.013) 1.014 28.595 ( 1.405 0.000 -1.505) 2.059 29.348 ( -5.790 0.000 -3.367) 6.698 29.463 ( 5.072 0.000 4.595) 6.844 29.989 ( -2.020 0.000 -6.280) 6.597 30.060 ( 8.080 0.000 4.376) 9.189 30.780 ( -0.062 0.000 -0.079) 0.100 30.787 ( -0.392 0.000 0.180) 0.432 30.815 ( 0.308 0.000 -0.503) 0.590 30.826 ( -0.968 0.000 0.743) 1.220 31.355 ( 0.153 0.000 11.580) 11.581 31.563 ( -8.021 0.000 10.435) 13.161 31.704 ( -7.070 0.000 -14.758) 16.364 31.940 ( 1.983 0.000 -6.935) 7.213 32.414 ( -5.668 0.000 5.512) 7.906 32.676 ( -0.070 0.000 -0.338) 0.345 32.965 ( -4.340 0.000 -2.601) 5.060 33.165 ( -4.887 0.000 0.312) 4.897 33.484 ( 10.414 0.000 -3.286) 10.920 33.563 ( 8.400 0.000 3.031) 8.930 34.391 ( 0.694 0.000 10.289) 10.313 34.557 ( -2.200 0.000 -11.920) 12.121 ======================= Grid point 99 (32/88) ======================= q-point: (-0.30 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( -25.111 0.000 9.980) 27.021 1.585 ( -20.134 0.000 -4.362) 20.601 1.755 ( -10.485 0.000 4.820) 11.539 1.992 ( -0.830 0.000 0.486) 0.961 2.045 ( 4.268 0.000 -5.599) 7.040 2.207 ( -3.842 0.000 -2.062) 4.360 2.298 ( 5.737 0.000 7.363) 9.335 2.389 ( 3.307 0.000 -5.158) 6.127 2.445 ( 3.583 0.000 -0.706) 3.652 2.557 ( 8.271 0.000 -0.458) 8.283 2.774 ( -9.716 0.000 -0.275) 9.720 2.887 ( 3.558 0.000 -2.982) 4.642 2.981 ( -4.355 0.000 4.807) 6.487 3.126 ( -10.559 0.000 -0.384) 10.566 3.350 ( -2.500 0.000 -2.523) 3.552 3.782 ( 8.789 0.000 6.953) 11.206 3.822 ( 1.914 0.000 1.880) 2.683 4.141 ( -8.746 0.000 -1.117) 8.817 4.238 ( -15.516 0.000 9.160) 18.018 4.410 ( -7.279 0.000 11.000) 13.191 4.417 ( -3.608 0.000 1.191) 3.799 4.499 ( -8.158 0.000 -0.242) 8.161 4.734 ( -10.378 0.000 -7.614) 12.872 4.735 ( -8.248 0.000 5.183) 9.742 4.906 ( -5.707 0.000 -5.685) 8.056 5.093 ( -4.254 0.000 -6.759) 7.986 5.136 ( -1.006 0.000 4.574) 4.684 5.263 ( -0.020 0.000 -4.916) 4.916 5.308 ( -5.371 0.000 1.929) 5.707 5.361 ( -15.706 0.000 2.459) 15.897 5.469 ( -10.010 0.000 -1.451) 10.114 5.557 ( -14.546 0.000 1.640) 14.638 5.643 ( 0.249 0.000 -0.997) 1.027 5.757 ( -15.432 0.000 -2.022) 15.564 6.047 ( -7.852 0.000 -0.508) 7.869 6.154 ( -12.041 0.000 3.968) 12.678 6.245 ( -5.246 0.000 -9.335) 10.708 6.254 ( -12.445 0.000 -2.404) 12.675 6.364 ( 6.602 0.000 -4.795) 8.160 6.562 ( -3.401 0.000 -0.018) 3.401 6.768 ( -12.219 0.000 0.595) 12.233 6.857 ( 1.999 0.000 -2.446) 3.159 7.162 ( 7.077 0.000 -1.439) 7.222 7.209 ( 8.114 0.000 12.680) 15.053 7.367 ( 11.208 0.000 -2.151) 11.413 7.664 ( -11.343 0.000 -7.102) 13.383 7.699 ( 4.753 0.000 3.696) 6.021 7.728 ( 2.265 0.000 4.031) 4.624 7.906 ( 3.471 0.000 -4.324) 5.545 8.013 ( 20.897 0.000 11.010) 23.620 8.135 ( 14.458 0.000 -3.300) 14.829 8.228 ( 5.075 0.000 -5.846) 7.742 9.132 ( 0.305 0.000 2.188) 2.210 9.262 ( 4.533 0.000 2.666) 5.259 9.315 ( 3.237 0.000 -3.597) 4.839 9.484 ( -0.620 0.000 -3.610) 3.663 9.619 ( 0.994 0.000 5.260) 5.353 9.698 ( -3.068 0.000 2.612) 4.029 9.757 ( -4.135 0.000 -2.736) 4.958 9.858 ( 0.524 0.000 2.803) 2.852 10.038 ( -3.084 0.000 3.278) 4.501 10.264 ( 3.086 0.000 -4.022) 5.070 10.415 ( 3.700 0.000 -4.318) 5.686 10.510 ( 3.955 0.000 -4.861) 6.266 10.651 ( 0.614 0.000 1.313) 1.449 10.770 ( 3.039 0.000 3.303) 4.489 10.891 ( -0.080 0.000 2.860) 2.861 11.020 ( -0.396 0.000 2.974) 3.000 11.117 ( -1.033 0.000 -2.259) 2.484 11.213 ( 3.679 0.000 -5.503) 6.619 11.293 ( -1.198 0.000 -1.361) 1.813 11.465 ( 6.128 0.000 4.386) 7.536 12.557 ( 0.170 0.000 -1.051) 1.065 12.602 ( -4.365 0.000 -0.795) 4.437 12.662 ( 3.742 0.000 2.138) 4.310 12.816 ( -0.408 0.000 -0.112) 0.423 13.600 ( 3.274 0.000 -1.775) 3.724 13.632 ( 5.523 0.000 1.205) 5.653 13.883 ( 1.682 0.000 1.591) 2.315 14.096 ( 3.379 0.000 1.664) 3.767 14.740 ( -1.540 0.000 -3.127) 3.486 14.892 ( -3.097 0.000 -5.918) 6.679 15.099 ( -0.900 0.000 -1.976) 2.172 15.123 ( 0.669 0.000 4.932) 4.978 15.249 ( 2.641 0.000 3.779) 4.611 15.376 ( 3.625 0.000 2.871) 4.624 15.529 ( -0.678 0.000 -0.941) 1.160 15.564 ( -1.277 0.000 2.006) 2.378 15.640 ( -5.602 0.000 -6.358) 8.474 15.718 ( -4.375 0.000 -4.075) 5.978 15.786 ( -2.120 0.000 -4.023) 4.548 16.139 ( 5.264 0.000 8.111) 9.670 16.469 ( -7.309 0.000 -0.429) 7.322 16.595 ( -2.388 0.000 -0.143) 2.392 16.833 ( 1.829 0.000 -0.420) 1.876 16.928 ( 0.666 0.000 -0.490) 0.827 17.558 ( -1.800 0.000 3.873) 4.271 17.643 ( -1.645 0.000 -1.628) 2.314 17.786 ( 3.871 0.000 1.699) 4.227 17.830 ( 3.714 0.000 -2.732) 4.611 21.801 ( -5.067 0.000 -0.094) 5.068 21.862 ( -4.337 0.000 -0.139) 4.339 22.311 ( 4.590 0.000 0.384) 4.606 22.441 ( 5.897 0.000 0.306) 5.905 26.736 ( 2.181 0.000 0.540) 2.247 26.822 ( 2.018 0.000 -2.138) 2.941 26.846 ( 2.433 0.000 1.616) 2.921 26.853 ( 0.977 0.000 -0.689) 1.196 28.452 ( 0.122 0.000 1.918) 1.922 28.509 ( 0.080 0.000 -1.341) 1.343 28.532 ( 0.473 0.000 0.949) 1.060 28.603 ( 1.079 0.000 -1.502) 1.849 29.268 ( -1.055 0.000 0.938) 1.412 29.594 ( 4.013 0.000 2.718) 4.847 29.913 ( 0.189 0.000 -5.987) 5.990 30.209 ( 4.252 0.000 0.791) 4.325 30.753 ( -2.983 0.000 0.916) 3.120 30.784 ( -0.489 0.000 1.760) 1.827 30.820 ( -0.051 0.000 1.241) 1.242 30.832 ( 1.409 0.000 -2.379) 2.765 31.300 ( -10.733 0.000 2.149) 10.946 31.398 ( -11.625 0.000 -11.775) 16.547 31.519 ( -8.595 0.000 14.472) 16.832 31.920 ( 2.629 0.000 -9.355) 9.718 32.339 ( -5.237 0.000 1.458) 5.436 32.639 ( -3.667 0.000 -0.167) 3.671 32.902 ( -1.023 0.000 -0.884) 1.352 33.075 ( -3.724 0.000 0.269) 3.733 33.702 ( 13.516 0.000 -2.357) 13.720 33.739 ( 7.734 0.000 1.767) 7.933 34.462 ( 2.867 0.000 -10.617) 10.997 34.490 ( -0.938 0.000 15.145) 15.174 ======================= Grid point 100 (33/88) ======================= q-point: (-0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( -24.458 0.000 18.630) 30.745 1.101 ( -26.010 0.000 -2.642) 26.143 1.534 ( -19.143 0.000 8.172) 20.814 1.977 ( -9.992 0.000 3.380) 10.548 1.981 ( -5.316 0.000 -9.803) 11.152 2.007 ( -10.169 0.000 4.004) 10.929 2.382 ( -4.745 0.000 -0.607) 4.783 2.392 ( -0.058 0.000 0.638) 0.641 2.541 ( 7.615 0.000 -10.353) 12.852 2.571 ( -4.644 0.000 1.162) 4.788 2.624 ( 2.337 0.000 -8.166) 8.494 2.939 ( -5.612 0.000 8.803) 10.440 2.951 ( -4.988 0.000 0.100) 4.989 3.001 ( 7.238 0.000 1.579) 7.408 3.269 ( -1.786 0.000 -1.213) 2.159 3.901 ( -3.766 0.000 -3.746) 5.312 3.957 ( -9.409 0.000 10.154) 13.843 4.035 ( -2.035 0.000 4.400) 4.848 4.044 ( 5.335 0.000 2.426) 5.860 4.167 ( -11.249 0.000 -3.594) 11.809 4.293 ( -7.755 0.000 2.960) 8.301 4.392 ( -15.502 0.000 -5.862) 16.573 4.487 ( -2.404 0.000 8.251) 8.594 4.668 ( -5.931 0.000 14.960) 16.093 4.765 ( -7.200 0.000 -3.288) 7.915 4.927 ( -18.499 0.000 -3.114) 18.759 5.035 ( -12.076 0.000 -1.537) 12.174 5.132 ( -2.697 0.000 -0.878) 2.837 5.177 ( -9.654 0.000 -5.139) 10.937 5.211 ( -1.915 0.000 -4.645) 5.024 5.220 ( -9.266 0.000 10.161) 13.752 5.440 ( -7.594 0.000 -0.599) 7.618 5.443 ( -3.411 0.000 2.383) 4.161 5.686 ( 3.627 0.000 0.061) 3.627 5.888 ( -13.548 0.000 -2.902) 13.855 5.954 ( -7.861 0.000 -1.976) 8.105 6.088 ( 1.812 0.000 -1.822) 2.570 6.200 ( -0.858 0.000 -4.404) 4.487 6.435 ( 5.767 0.000 -7.558) 9.507 6.435 ( -2.824 0.000 -4.205) 5.066 6.629 ( -3.621 0.000 6.384) 7.339 6.889 ( 0.367 0.000 1.977) 2.010 7.237 ( 2.801 0.000 -2.372) 3.670 7.305 ( -13.154 0.000 -5.927) 14.428 7.457 ( 3.804 0.000 7.523) 8.430 7.524 ( 3.269 0.000 -1.548) 3.617 7.810 ( -0.348 0.000 5.520) 5.531 7.827 ( 4.467 0.000 4.291) 6.194 7.895 ( 3.636 0.000 -0.579) 3.682 8.245 ( 3.539 0.000 -9.732) 10.355 8.341 ( 12.107 0.000 -5.027) 13.109 8.604 ( 25.054 0.000 11.577) 27.599 9.140 ( -0.318 0.000 0.011) 0.318 9.336 ( 4.015 0.000 -3.117) 5.083 9.424 ( 7.044 0.000 2.487) 7.470 9.444 ( -0.085 0.000 -2.486) 2.487 9.557 ( -5.557 0.000 -1.055) 5.657 9.674 ( -2.519 0.000 -0.977) 2.702 9.715 ( -1.506 0.000 3.650) 3.948 9.910 ( 2.334 0.000 1.094) 2.578 10.033 ( -1.158 0.000 5.151) 5.280 10.237 ( -1.417 0.000 -5.114) 5.307 10.500 ( 9.002 0.000 -4.214) 9.939 10.520 ( 0.198 0.000 -1.206) 1.222 10.726 ( 6.491 0.000 -0.476) 6.508 10.829 ( -0.058 0.000 3.159) 3.160 10.913 ( -0.843 0.000 1.854) 2.037 11.073 ( 3.618 0.000 3.928) 5.340 11.089 ( -0.043 0.000 -1.283) 1.284 11.236 ( 2.875 0.000 -5.670) 6.357 11.270 ( -1.917 0.000 2.373) 3.050 11.620 ( 6.705 0.000 3.423) 7.528 12.490 ( -6.374 0.000 -1.182) 6.482 12.582 ( 2.375 0.000 0.598) 2.449 12.746 ( 3.593 0.000 0.667) 3.654 12.783 ( -2.624 0.000 -0.611) 2.695 13.658 ( 3.727 0.000 -1.005) 3.861 13.752 ( 6.389 0.000 -0.833) 6.443 13.949 ( 3.091 0.000 2.320) 3.864 14.156 ( 2.203 0.000 -1.118) 2.470 14.748 ( 3.338 0.000 0.985) 3.481 14.811 ( -1.310 0.000 -0.342) 1.354 15.068 ( -0.106 0.000 -2.203) 2.206 15.147 ( -2.687 0.000 1.775) 3.221 15.318 ( 0.762 0.000 4.136) 4.206 15.434 ( -4.671 0.000 -9.084) 10.214 15.435 ( -0.701 0.000 0.842) 1.095 15.511 ( -6.209 0.000 -2.520) 6.701 15.560 ( 1.176 0.000 -0.859) 1.456 15.594 ( -2.613 0.000 -0.179) 2.619 15.700 ( -3.503 0.000 -2.406) 4.250 16.280 ( 2.367 0.000 6.188) 6.625 16.324 ( -6.485 0.000 -1.483) 6.652 16.586 ( 1.092 0.000 1.021) 1.495 16.881 ( 3.882 0.000 -1.072) 4.027 16.923 ( -1.033 0.000 -0.428) 1.118 17.549 ( -2.079 0.000 3.000) 3.650 17.611 ( -0.583 0.000 -0.773) 0.968 17.872 ( 2.885 0.000 -2.269) 3.670 17.878 ( 3.954 0.000 1.640) 4.280 21.724 ( -3.287 0.000 1.510) 3.617 21.785 ( -3.011 0.000 -0.745) 3.101 22.405 ( 4.053 0.000 1.437) 4.301 22.534 ( 3.954 0.000 -0.985) 4.075 26.785 ( 2.335 0.000 0.364) 2.364 26.833 ( 1.270 0.000 -1.448) 1.926 26.855 ( 0.187 0.000 -1.869) 1.878 26.925 ( 3.457 0.000 1.743) 3.872 28.476 ( 0.519 0.000 1.638) 1.718 28.485 ( -0.711 0.000 -2.099) 2.216 28.557 ( 1.063 0.000 2.131) 2.382 28.624 ( 1.848 0.000 -0.527) 1.921 29.326 ( 4.813 0.000 4.160) 6.362 29.597 ( -0.923 0.000 -10.426) 10.467 29.937 ( 3.348 0.000 2.423) 4.133 30.208 ( -4.303 0.000 -1.563) 4.578 30.702 ( -3.186 0.000 2.122) 3.828 30.757 ( -3.412 0.000 0.627) 3.469 30.770 ( -5.692 0.000 -5.690) 8.048 30.849 ( -1.865 0.000 4.026) 4.437 31.085 ( -8.729 0.000 0.188) 8.731 31.152 ( -4.902 0.000 -4.646) 6.754 31.398 ( -13.602 0.000 8.571) 16.077 31.873 ( 2.065 0.000 -16.506) 16.635 32.229 ( -6.075 0.000 -1.370) 6.227 32.545 ( -5.106 0.000 -0.648) 5.147 32.900 ( 0.547 0.000 0.830) 0.994 33.030 ( -1.221 0.000 -0.363) 1.274 33.884 ( 5.989 0.000 0.929) 6.060 33.935 ( 11.527 0.000 -1.753) 11.659 34.509 ( 9.335 0.000 -7.312) 11.858 34.628 ( 1.055 0.000 20.775) 20.802 ======================= Grid point 101 (34/88) ======================= q-point: (-0.10 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.597 ( -25.474 0.000 7.198) 26.472 0.787 ( -18.960 0.000 30.304) 35.746 1.144 ( -32.016 0.000 24.185) 40.124 1.618 ( -16.747 0.000 -1.188) 16.789 1.701 ( -11.958 0.000 -10.976) 16.231 2.022 ( -0.151 0.000 5.616) 5.618 2.248 ( -6.967 0.000 1.230) 7.075 2.262 ( -7.886 0.000 -1.617) 8.050 2.538 ( 4.011 0.000 -5.621) 6.905 2.576 ( 2.744 0.000 -12.252) 12.556 2.666 ( 4.771 0.000 -4.894) 6.834 2.894 ( -1.334 0.000 -2.194) 2.568 3.000 ( 4.881 0.000 14.249) 15.062 3.139 ( 5.153 0.000 0.740) 5.205 3.258 ( -1.489 0.000 4.152) 4.411 3.704 ( -7.704 0.000 -3.658) 8.529 3.781 ( -6.737 0.000 1.712) 6.951 3.882 ( -6.058 0.000 -3.376) 6.935 4.053 ( -8.255 0.000 -1.151) 8.335 4.207 ( -4.763 0.000 4.072) 6.266 4.286 ( -0.424 0.000 8.697) 8.707 4.289 ( 5.245 0.000 5.382) 7.516 4.420 ( -8.196 0.000 6.851) 10.682 4.468 ( -12.533 0.000 -2.718) 12.824 4.597 ( -9.016 0.000 -3.126) 9.543 4.666 ( -10.127 0.000 -0.613) 10.146 4.853 ( -9.744 0.000 -3.315) 10.293 4.952 ( -0.586 0.000 -9.565) 9.583 5.018 ( -1.815 0.000 9.321) 9.496 5.148 ( -4.147 0.000 4.485) 6.108 5.281 ( 3.095 0.000 0.579) 3.148 5.394 ( 0.215 0.000 -4.763) 4.768 5.416 ( -3.585 0.000 4.247) 5.557 5.620 ( -10.884 0.000 0.230) 10.886 5.756 ( 4.213 0.000 -5.594) 7.002 5.817 ( -3.505 0.000 3.721) 5.112 5.969 ( -12.127 0.000 -10.420) 15.989 6.174 ( 7.725 0.000 -7.063) 10.468 6.464 ( 2.983 0.000 -4.468) 5.372 6.590 ( 10.162 0.000 1.591) 10.286 6.684 ( 6.061 0.000 7.696) 9.796 6.806 ( -9.438 0.000 -0.646) 9.460 7.113 ( 0.545 0.000 -3.879) 3.917 7.195 ( -5.586 0.000 -3.619) 6.656 7.503 ( -1.236 0.000 1.697) 2.099 7.552 ( -2.505 0.000 9.861) 10.174 7.744 ( -0.280 0.000 -4.659) 4.668 7.908 ( 1.259 0.000 -1.321) 1.825 8.196 ( 2.549 0.000 -7.473) 7.895 8.315 ( 24.106 0.000 32.585) 40.532 8.471 ( 7.277 0.000 -8.398) 11.112 9.048 ( 6.155 0.000 3.183) 6.929 9.194 ( 10.340 0.000 5.484) 11.705 9.394 ( 3.815 0.000 -1.924) 4.273 9.408 ( -2.520 0.000 -4.120) 4.830 9.481 ( -1.691 0.000 4.355) 4.672 9.554 ( 4.555 0.000 -1.268) 4.728 9.675 ( 3.297 0.000 5.644) 6.536 9.698 ( -2.213 0.000 4.295) 4.831 9.927 ( 0.057 0.000 -4.155) 4.155 10.054 ( -1.869 0.000 6.101) 6.381 10.186 ( -0.084 0.000 -1.083) 1.086 10.521 ( 0.726 0.000 -0.564) 0.920 10.659 ( 10.645 0.000 -5.945) 12.192 10.835 ( -1.006 0.000 2.010) 2.247 10.849 ( 4.986 0.000 0.855) 5.059 10.882 ( -2.305 0.000 -0.595) 2.380 11.098 ( 1.474 0.000 -0.799) 1.676 11.197 ( -4.020 0.000 -4.982) 6.401 11.204 ( 4.672 0.000 2.172) 5.152 11.253 ( -1.538 0.000 4.048) 4.330 11.734 ( 2.741 0.000 -8.413) 8.849 12.351 ( -6.084 0.000 -1.080) 6.179 12.588 ( -2.956 0.000 -10.402) 10.814 12.725 ( -2.653 0.000 1.950) 3.293 12.804 ( 2.241 0.000 -0.577) 2.314 13.729 ( 3.799 0.000 1.582) 4.115 13.848 ( 4.761 0.000 -2.970) 5.611 14.027 ( 2.200 0.000 3.492) 4.127 14.154 ( 0.753 0.000 -4.296) 4.362 14.877 ( 7.665 0.000 3.343) 8.362 14.880 ( 2.248 0.000 6.830) 7.191 15.062 ( 0.300 0.000 -1.728) 1.754 15.069 ( 1.692 0.000 7.937) 8.116 15.248 ( -10.416 0.000 -3.372) 10.948 15.304 ( -3.952 0.000 -0.869) 4.047 15.369 ( 1.817 0.000 3.023) 3.527 15.467 ( -1.692 0.000 1.941) 2.575 15.585 ( 0.284 0.000 -0.119) 0.307 15.595 ( 2.101 0.000 -0.544) 2.170 15.628 ( -1.869 0.000 -0.998) 2.119 16.213 ( -2.272 0.000 -2.774) 3.585 16.319 ( -2.654 0.000 3.632) 4.498 16.641 ( 2.883 0.000 0.902) 3.020 16.839 ( -7.667 0.000 -7.713) 10.875 16.945 ( 3.644 0.000 -3.164) 4.826 17.528 ( -1.895 0.000 1.520) 2.429 17.602 ( 0.020 0.000 -0.869) 0.869 17.912 ( 2.535 0.000 -0.329) 2.556 17.952 ( 2.155 0.000 1.285) 2.509 21.707 ( -0.241 0.000 2.766) 2.776 21.737 ( -1.227 0.000 -0.957) 1.556 22.480 ( 2.141 0.000 1.895) 2.859 22.580 ( 2.219 0.000 -1.657) 2.770 26.824 ( 1.364 0.000 0.170) 1.374 26.848 ( 1.337 0.000 -1.110) 1.738 26.871 ( 4.127 0.000 6.851) 7.998 26.997 ( 1.679 0.000 3.300) 3.703 28.465 ( 0.278 0.000 -1.133) 1.166 28.488 ( 0.041 0.000 0.272) 0.275 28.617 ( 2.440 0.000 4.354) 4.991 28.651 ( 1.352 0.000 -1.187) 1.800 29.395 ( -8.169 0.000 -16.904) 18.775 29.518 ( 10.825 0.000 5.576) 12.177 30.011 ( -14.858 0.000 -1.570) 14.941 30.014 ( 0.712 0.000 3.543) 3.614 30.591 ( -6.040 0.000 -2.949) 6.721 30.662 ( -6.068 0.000 1.101) 6.167 30.687 ( -0.509 0.000 4.748) 4.775 30.751 ( -6.701 0.000 0.504) 6.720 31.064 ( 1.641 0.000 1.424) 2.172 31.089 ( -0.912 0.000 -4.415) 4.508 31.188 ( -10.829 0.000 3.152) 11.279 31.572 ( -17.434 0.000 -30.915) 35.492 32.139 ( -3.126 0.000 4.668) 5.618 32.452 ( -3.192 0.000 -1.726) 3.629 32.924 ( 0.568 0.000 1.447) 1.555 33.012 ( -0.374 0.000 -0.445) 0.581 33.979 ( 3.193 0.000 0.457) 3.225 34.091 ( 6.340 0.000 -3.122) 7.067 34.664 ( 10.234 0.000 -4.218) 11.070 34.893 ( 8.792 0.000 13.399) 16.026 ======================= Grid point 102 (35/88) ======================= q-point: ( 0.00 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( -9.099 19.915 16.093) 27.173 0.907 ( -3.780 18.909 21.156) 28.625 1.101 ( -1.658 16.566 21.019) 26.813 1.547 ( -0.407 12.639 -6.063) 14.024 1.626 ( 4.969 9.146 -4.931) 11.518 2.040 ( -1.599 -3.265 9.236) 9.926 2.139 ( -0.132 -4.216 -0.032) 4.218 2.165 ( 1.296 -1.734 0.028) 2.164 2.449 ( 0.951 -4.410 -14.724) 15.399 2.537 ( 2.827 -1.725 -8.867) 9.465 2.762 ( 1.582 1.513 2.293) 3.170 2.892 ( -0.877 -0.123 0.645) 1.096 2.993 ( -0.536 -8.292 8.695) 12.027 3.244 ( -4.710 6.511 -8.967) 12.040 3.393 ( 4.457 1.858 7.157) 8.633 3.688 ( 6.083 2.952 -0.232) 6.765 3.725 ( -5.990 2.444 -0.588) 6.496 3.860 ( -1.164 4.769 -10.561) 11.646 4.047 ( -1.439 5.918 1.629) 6.305 4.075 ( -2.482 -4.939 0.653) 5.566 4.203 ( -0.474 2.588 0.397) 2.661 4.218 ( -1.368 3.105 0.487) 3.428 4.374 ( 1.924 -1.695 5.084) 5.694 4.471 ( -2.064 -1.036 0.081) 2.310 4.553 ( 1.546 2.334 3.448) 4.441 4.620 ( 2.158 -0.315 -3.789) 4.371 4.804 ( 6.829 -0.708 6.091) 9.178 4.900 ( -9.473 -4.727 6.604) 12.478 4.994 ( -0.317 -1.825 1.519) 2.396 5.086 ( 2.869 -1.764 1.546) 3.706 5.091 ( 2.564 -8.069 9.713) 12.885 5.211 ( -9.605 -2.485 -0.799) 9.953 5.434 ( -0.723 0.396 2.287) 2.431 5.528 ( 0.135 -0.205 -4.157) 4.164 5.693 ( -0.010 -6.393 2.388) 6.825 5.775 ( 1.428 -0.531 0.125) 1.528 5.898 ( 1.850 1.919 5.253) 5.890 6.183 ( -0.114 1.912 -11.116) 11.279 6.377 ( 0.649 -2.063 9.101) 9.355 6.556 ( 2.049 0.020 -0.743) 2.180 6.761 ( -0.821 1.109 2.852) 3.168 7.016 ( -0.455 4.056 -8.029) 9.007 7.145 ( 0.952 4.293 -0.856) 4.480 7.207 ( 3.581 4.755 -3.526) 6.919 7.508 ( 4.141 -6.551 9.255) 12.072 7.566 ( -5.991 4.645 6.568) 10.030 7.750 ( -0.515 0.796 -1.872) 2.098 7.800 ( -3.229 -4.152 -4.602) 6.989 8.050 ( -2.102 -6.500 -2.212) 7.180 8.339 ( 2.314 -11.530 -8.624) 14.583 8.584 ( 6.539 -22.328 18.578) 29.773 8.954 ( -4.736 -8.617 -4.537) 10.829 9.221 ( -0.371 -7.921 1.738) 8.118 9.342 ( 2.947 -5.188 -0.029) 5.967 9.401 ( -0.383 -4.272 3.173) 5.335 9.464 ( -0.791 -7.271 -0.188) 7.316 9.545 ( 2.167 4.243 2.418) 5.343 9.654 ( -2.125 -1.696 2.489) 3.686 9.848 ( -0.774 4.412 -1.618) 4.762 9.866 ( -1.509 -0.558 -0.370) 1.651 10.081 ( -0.638 1.530 1.635) 2.329 10.132 ( 2.070 -6.767 2.558) 7.525 10.512 ( -1.831 -0.596 2.161) 2.894 10.579 ( 1.889 1.892 -0.384) 2.701 10.800 ( 0.240 0.195 1.315) 1.351 10.920 ( -0.471 3.680 -2.431) 4.436 11.066 ( 2.217 6.053 1.654) 6.655 11.135 ( -4.845 1.643 0.291) 5.125 11.207 ( 0.195 3.927 -1.151) 4.097 11.228 ( 4.016 4.053 -0.963) 5.786 11.565 ( 5.886 10.441 -1.847) 12.128 11.845 ( -10.377 15.724 -14.576) 23.820 12.329 ( 1.724 2.976 0.573) 3.486 12.401 ( -4.341 2.363 -2.329) 5.464 12.696 ( 0.152 -0.586 2.008) 2.097 12.794 ( 0.102 -2.327 -1.482) 2.761 13.773 ( 1.096 -0.072 1.586) 1.929 13.907 ( 0.500 1.084 -4.298) 4.461 14.056 ( -2.443 -1.592 0.622) 2.981 14.156 ( 1.256 -1.161 -1.874) 2.537 14.889 ( -5.515 -4.916 -0.756) 7.427 14.900 ( 3.215 1.442 -0.805) 3.614 15.028 ( 2.081 1.006 -0.124) 2.314 15.086 ( 4.475 -0.583 -0.335) 4.526 15.200 ( 2.697 -2.231 -0.656) 3.561 15.366 ( -2.940 -8.678 -5.316) 10.593 15.376 ( 0.477 -1.739 3.105) 3.591 15.414 ( -3.253 -1.454 1.391) 3.825 15.619 ( -1.062 4.554 -1.007) 4.784 15.684 ( 0.470 5.026 -2.027) 5.440 16.094 ( 7.938 2.607 -0.379) 8.364 16.190 ( -4.523 -2.055 -2.515) 5.569 16.337 ( 2.842 6.161 -1.248) 6.899 16.462 ( -2.211 8.198 -8.742) 12.187 16.702 ( 1.544 -2.131 3.651) 4.501 16.908 ( -4.025 -4.372 -4.450) 7.424 17.537 ( -0.170 2.541 1.424) 2.918 17.645 ( 0.064 4.674 -3.752) 5.994 17.921 ( 0.006 -3.060 1.872) 3.587 17.973 ( 0.716 -0.634 -0.205) 0.978 21.789 ( 0.087 10.281 1.738) 10.427 21.905 ( -1.129 10.029 -5.032) 11.277 22.510 ( -0.386 -0.508 2.266) 2.354 22.594 ( 0.348 -0.553 -1.241) 1.402 26.825 ( 0.532 -1.491 0.576) 1.685 26.835 ( 0.290 -0.977 0.008) 1.019 27.026 ( -0.286 2.387 5.423) 5.932 27.326 ( 3.162 2.801 -9.237) 10.157 28.462 ( 0.772 -1.188 0.758) 1.606 28.483 ( -1.317 -0.519 0.063) 1.417 28.615 ( -1.177 2.156 0.502) 2.508 28.707 ( -2.621 2.847 -5.196) 6.479 29.505 ( 25.552 -2.653 5.907) 26.360 29.656 ( -12.041 -0.090 -4.060) 12.707 29.817 ( 12.975 -0.217 3.810) 13.525 29.963 ( -5.717 -1.217 -2.227) 6.255 30.557 ( 1.974 0.440 0.893) 2.211 30.593 ( -1.524 -0.053 -0.589) 1.635 30.660 ( -0.494 -0.462 0.209) 0.708 30.727 ( -3.149 1.007 -2.816) 4.342 30.863 ( 9.005 -7.123 6.997) 13.445 30.994 ( -1.917 -2.859 -1.863) 3.914 31.146 ( -0.129 0.362 2.049) 2.085 31.162 ( -2.933 -0.029 2.385) 3.781 32.153 ( -1.101 -0.092 6.541) 6.634 32.393 ( -0.304 -0.465 -2.769) 2.825 32.646 ( -5.078 -19.585 19.394) 28.026 32.860 ( 0.595 -7.776 1.023) 7.866 34.040 ( 0.141 2.355 0.530) 2.418 34.174 ( 0.681 4.444 -4.560) 6.404 34.419 ( -8.383 -11.646 14.105) 20.121 34.797 ( -0.660 -5.709 -5.437) 7.911 ======================= Grid point 103 (36/88) ======================= q-point: ( 0.10 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( 11.613 11.586 13.277) 21.104 1.099 ( 3.383 9.762 23.564) 25.729 1.304 ( 8.703 14.217 2.603) 16.871 1.649 ( 9.566 9.964 7.096) 15.529 1.822 ( 17.777 4.836 -10.284) 21.099 2.086 ( -0.076 -1.553 8.335) 8.479 2.216 ( 5.846 -6.746 2.096) 9.169 2.247 ( 4.145 -0.709 -3.805) 5.671 2.324 ( 0.539 -1.112 -11.608) 11.674 2.509 ( 5.624 -1.490 -10.503) 12.007 2.817 ( 0.223 0.948 1.864) 2.103 2.867 ( -1.369 3.351 0.158) 3.623 3.052 ( -1.651 -0.972 4.021) 4.454 3.115 ( -1.254 2.533 1.792) 3.346 3.522 ( 0.013 4.232 10.324) 11.158 3.672 ( 1.761 0.509 -2.253) 2.905 3.732 ( -0.294 2.945 -11.548) 11.921 3.867 ( 9.204 4.657 0.160) 10.316 4.023 ( -0.571 -4.479 2.540) 5.180 4.148 ( 5.033 2.886 1.011) 5.889 4.288 ( 12.894 0.196 6.626) 14.498 4.330 ( 3.020 1.763 2.210) 4.137 4.415 ( 6.740 -3.459 -2.265) 7.907 4.520 ( -8.226 0.431 7.463) 11.115 4.560 ( 8.026 -0.087 2.079) 8.291 4.663 ( 7.463 -1.493 1.575) 7.772 4.799 ( 3.979 8.036 -5.202) 10.366 4.965 ( 1.494 -1.872 4.612) 5.197 4.993 ( -6.434 2.403 -7.359) 10.066 5.130 ( 5.589 -5.293 -0.272) 7.702 5.214 ( 6.337 -5.272 3.004) 8.774 5.397 ( 10.817 -2.055 3.428) 11.532 5.471 ( 4.000 -4.508 -2.078) 6.375 5.514 ( 8.911 -5.612 0.411) 10.539 5.711 ( 2.541 1.345 3.086) 4.218 5.878 ( 6.218 -4.122 2.581) 7.894 5.989 ( 3.022 0.892 2.060) 3.765 6.094 ( 1.842 2.094 -9.130) 9.546 6.468 ( 0.861 2.840 4.989) 5.805 6.532 ( -0.751 -2.108 -1.660) 2.786 6.761 ( -1.845 6.807 6.294) 9.453 6.968 ( 0.870 1.989 -9.923) 10.158 7.115 ( -4.089 5.719 -2.742) 7.546 7.256 ( 2.493 0.078 -2.633) 3.627 7.460 ( -3.106 0.032 3.994) 5.060 7.639 ( -2.411 -6.958 7.056) 10.198 7.706 ( -0.783 0.653 0.859) 1.333 7.733 ( -1.178 -0.937 -1.061) 1.841 8.015 ( -2.344 -8.714 0.592) 9.043 8.207 ( -5.254 -4.793 -13.399) 15.170 8.670 ( -10.566 -14.675 5.985) 19.047 8.763 ( -9.278 -11.472 2.269) 14.928 9.217 ( -2.565 -4.835 3.013) 6.247 9.319 ( -1.590 -3.548 -4.024) 5.595 9.419 ( 0.671 -5.440 0.835) 5.545 9.482 ( -3.573 -9.382 3.812) 10.738 9.550 ( -0.325 0.796 -0.523) 1.006 9.636 ( -0.648 2.598 3.384) 4.316 9.760 ( -2.724 -0.510 -3.022) 4.100 9.900 ( 0.871 4.264 2.554) 5.046 10.048 ( -3.089 1.001 0.152) 3.251 10.203 ( 3.569 -6.338 0.265) 7.278 10.478 ( -1.830 1.344 1.199) 2.568 10.609 ( -1.687 2.298 -0.639) 2.921 10.717 ( -8.030 -2.427 -2.013) 8.628 10.896 ( 1.684 0.305 -0.318) 1.740 11.017 ( -4.398 1.468 -0.860) 4.715 11.088 ( -3.502 1.282 -0.970) 3.854 11.208 ( 3.287 4.714 1.474) 5.933 11.394 ( 6.889 9.193 2.652) 11.790 11.503 ( -10.182 18.815 -3.232) 21.636 11.642 ( 0.948 12.101 -1.911) 12.287 12.361 ( 2.164 0.545 -1.293) 2.579 12.439 ( 6.156 2.122 0.662) 6.545 12.729 ( 1.435 -0.535 0.636) 1.659 12.768 ( -1.397 -1.807 -1.225) 2.592 13.776 ( -2.220 1.584 1.543) 3.134 13.825 ( -4.563 -0.207 -4.358) 6.313 13.979 ( -5.991 -3.837 2.294) 7.475 14.096 ( -4.600 -2.914 -1.071) 5.550 14.802 ( -2.248 -2.763 1.120) 3.734 14.990 ( 4.773 0.749 2.031) 5.241 15.034 ( -0.710 -2.028 -4.665) 5.136 15.109 ( -1.487 -4.241 -3.189) 5.511 15.197 ( -0.984 -2.513 -0.526) 2.749 15.338 ( 4.423 -1.053 -0.157) 4.549 15.409 ( 1.634 -0.812 2.627) 3.199 15.440 ( 2.696 -4.391 0.567) 5.183 15.612 ( 0.825 4.397 0.778) 4.541 15.665 ( -0.943 4.443 -1.286) 4.720 16.063 ( -1.567 4.237 0.489) 4.544 16.198 ( -8.215 10.135 -1.525) 13.135 16.316 ( 10.207 -3.398 0.178) 10.759 16.494 ( 1.405 2.324 -3.212) 4.206 16.746 ( 1.916 -3.310 1.262) 4.028 16.850 ( -0.003 -4.004 -2.017) 4.484 17.546 ( -0.380 2.564 1.981) 3.262 17.620 ( 0.434 3.335 -2.225) 4.032 17.894 ( -3.458 -2.763 0.657) 4.475 17.972 ( -0.904 -0.526 -0.096) 1.050 21.799 ( -0.519 9.727 1.107) 9.803 21.859 ( 0.331 9.564 -0.875) 9.610 22.483 ( -3.890 -0.758 2.034) 4.454 22.560 ( -2.410 -1.094 -1.377) 2.984 26.816 ( -1.229 -0.380 -0.005) 1.286 26.835 ( -0.465 -1.127 -0.438) 1.295 27.013 ( -4.531 2.099 3.186) 5.924 27.164 ( -9.126 1.655 -2.568) 9.623 28.442 ( -1.356 -0.027 -0.150) 1.364 28.495 ( 0.652 -1.191 0.817) 1.585 28.609 ( -0.652 2.471 1.115) 2.789 28.651 ( -0.394 1.511 -0.977) 1.842 29.344 ( -8.936 2.147 -3.776) 9.936 29.732 ( -7.959 -2.415 -4.119) 9.282 29.988 ( 9.895 -2.313 -0.004) 10.161 30.080 ( 9.436 -1.749 0.762) 9.627 30.586 ( 2.541 0.944 -1.796) 3.252 30.660 ( 4.289 0.669 1.420) 4.567 30.734 ( 6.144 -1.383 0.954) 6.369 30.774 ( 8.251 0.889 1.542) 8.440 30.968 ( 3.900 -2.137 -4.197) 6.115 31.104 ( -2.664 0.381 1.181) 2.939 31.157 ( 0.989 -0.732 2.459) 2.749 31.445 ( 35.240 -11.307 -16.883) 40.679 32.205 ( 0.230 -0.153 8.671) 8.675 32.396 ( 3.388 -0.031 -3.539) 4.899 32.765 ( 3.017 -15.933 10.852) 19.512 32.894 ( 2.176 -7.203 1.133) 7.609 34.001 ( -4.808 2.110 0.973) 5.340 34.098 ( -4.485 4.219 -4.185) 7.445 34.309 ( -11.855 -3.885 10.794) 16.497 34.738 ( -2.505 -7.859 -0.087) 8.249 ======================= Grid point 104 (37/88) ======================= q-point: ( 0.20 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( 7.835 5.896 12.176) 15.633 1.424 ( 11.450 5.508 10.156) 16.266 1.502 ( 14.142 3.844 0.347) 14.659 1.839 ( 1.471 -0.349 -0.087) 1.514 1.967 ( 5.928 3.956 -9.505) 11.880 2.148 ( -0.200 -0.702 -1.931) 2.064 2.184 ( 0.943 -2.375 -0.818) 2.683 2.322 ( 5.086 1.718 -2.088) 5.760 2.388 ( 5.113 -6.669 1.967) 8.631 2.735 ( 18.830 -2.077 -3.494) 19.263 2.763 ( -2.653 8.205 -3.585) 9.338 2.822 ( -3.858 -3.443 1.383) 5.352 3.058 ( 3.047 7.364 2.048) 8.229 3.187 ( 1.786 4.899 5.145) 7.326 3.497 ( -6.080 3.216 -8.542) 10.967 3.586 ( -0.911 2.675 5.145) 5.870 3.871 ( 9.717 1.381 7.079) 12.101 4.002 ( 5.943 1.471 -1.013) 6.205 4.081 ( 0.850 -4.727 7.684) 9.062 4.214 ( 0.349 1.251 0.917) 1.590 4.386 ( 4.076 2.779 -0.367) 4.947 4.408 ( -3.598 4.898 3.335) 6.932 4.601 ( 9.085 -0.927 -5.278) 10.548 4.716 ( 11.376 -2.954 9.253) 14.958 4.788 ( 9.258 -0.546 0.622) 9.295 4.885 ( 13.176 -0.620 -1.074) 13.234 4.906 ( 19.467 -0.166 4.727) 20.033 4.962 ( 6.908 3.073 -4.320) 8.707 5.070 ( 8.248 -0.154 -1.480) 8.381 5.177 ( 3.947 -2.632 -2.451) 5.340 5.347 ( 4.040 -4.651 -5.363) 8.168 5.418 ( 4.517 -0.788 4.724) 6.583 5.631 ( 5.688 2.698 4.157) 7.544 5.702 ( 10.722 -5.079 -2.481) 12.121 5.877 ( 4.608 0.146 3.389) 5.722 6.024 ( 5.780 1.268 0.980) 5.998 6.077 ( 12.523 -4.655 -8.638) 15.910 6.164 ( 8.661 0.772 1.361) 8.801 6.483 ( -0.881 6.065 -3.254) 6.939 6.577 ( 3.605 1.190 -0.923) 3.907 6.728 ( -5.532 -1.388 -13.428) 14.589 6.839 ( -0.294 9.024 11.217) 14.400 7.070 ( -1.416 1.106 4.210) 4.577 7.216 ( -3.195 1.057 -6.059) 6.931 7.545 ( 3.966 -8.166 5.303) 10.513 7.569 ( -3.971 -6.322 -3.262) 8.147 7.668 ( -2.676 0.247 -0.458) 2.726 7.756 ( -1.943 -0.970 2.009) 2.959 7.877 ( -8.696 -5.379 2.149) 10.449 8.054 ( -3.666 -1.250 -2.427) 4.571 8.352 ( -16.545 -8.257 -5.879) 19.403 8.636 ( -12.661 -8.784 6.015) 16.542 9.169 ( -3.467 -1.393 1.023) 3.874 9.238 ( -3.060 0.044 -4.502) 5.443 9.381 ( -4.450 -1.435 1.279) 4.847 9.442 ( 0.977 -7.092 -0.422) 7.172 9.583 ( -0.268 -6.363 -1.618) 6.571 9.638 ( -1.621 1.827 6.672) 7.105 9.735 ( 1.453 0.709 0.181) 1.627 9.927 ( 1.115 5.345 -0.463) 5.480 9.990 ( -2.646 -1.068 0.858) 2.980 10.245 ( 1.267 -2.528 -2.710) 3.916 10.449 ( -4.208 -4.880 -0.487) 6.462 10.507 ( -4.040 4.951 -1.328) 6.527 10.589 ( -2.677 -1.757 -0.536) 3.246 10.934 ( -3.497 -1.520 -1.332) 4.039 10.946 ( 1.273 -0.910 1.886) 2.451 11.023 ( -2.937 1.015 1.216) 3.337 11.201 ( -2.723 7.894 -2.160) 8.625 11.360 ( -2.766 9.612 -2.484) 10.306 11.485 ( 0.925 6.007 -1.063) 6.170 11.662 ( -1.335 12.289 6.866) 14.140 12.428 ( 4.121 -1.048 0.670) 4.304 12.540 ( 3.741 1.237 -0.601) 3.986 12.734 ( -0.948 -0.748 0.663) 1.377 12.753 ( 0.711 -0.470 -0.756) 1.139 13.680 ( -6.472 -1.310 -2.992) 7.249 13.724 ( -3.977 1.916 1.039) 4.535 13.895 ( -4.465 -5.360 2.221) 7.321 14.001 ( -3.636 -3.753 -1.191) 5.359 14.821 ( 1.532 -4.633 3.075) 5.768 14.970 ( -0.994 1.275 -5.279) 5.521 15.009 ( 0.321 -4.979 -2.541) 5.599 15.136 ( 3.294 -0.172 4.091) 5.255 15.246 ( 3.393 -0.247 1.307) 3.645 15.333 ( -1.967 1.496 -2.912) 3.820 15.469 ( 1.040 0.057 1.710) 2.002 15.519 ( 4.792 -5.412 -0.779) 7.270 15.620 ( -1.776 5.371 -1.123) 5.767 15.661 ( 2.697 4.247 0.154) 5.034 15.962 ( -3.995 8.848 -9.143) 13.336 16.152 ( -0.643 5.357 7.566) 9.293 16.464 ( 3.285 -4.636 -3.176) 6.509 16.522 ( 4.264 -0.017 5.400) 6.880 16.776 ( 1.937 -3.748 -3.616) 5.556 16.849 ( -0.411 -2.124 1.675) 2.736 17.552 ( -0.719 2.254 2.228) 3.251 17.635 ( 2.353 1.605 -0.930) 2.997 17.818 ( -4.369 -1.897 0.270) 4.771 17.931 ( -2.765 -1.072 -0.981) 3.123 21.810 ( 1.451 6.733 0.365) 6.898 21.882 ( 1.772 8.191 0.109) 8.381 22.413 ( -4.727 -1.997 2.076) 5.536 22.482 ( -4.264 -1.418 -1.771) 4.830 26.785 ( -2.079 0.077 0.246) 2.095 26.812 ( -1.165 -0.626 -0.920) 1.611 26.930 ( -4.297 1.877 -0.387) 4.705 26.999 ( -6.985 1.265 0.324) 7.106 28.429 ( -0.036 0.533 0.290) 0.608 28.502 ( -0.027 -0.496 0.495) 0.701 28.592 ( -1.387 2.282 0.158) 2.675 28.657 ( -0.288 0.402 0.305) 0.581 29.272 ( 2.004 2.750 1.700) 3.804 29.547 ( -6.185 -0.330 -5.418) 8.229 30.110 ( 2.495 -0.706 3.137) 4.070 30.158 ( -0.070 -1.578 -4.515) 4.784 30.646 ( 4.416 1.140 -1.008) 4.671 30.733 ( 2.457 0.377 2.030) 3.209 30.810 ( -0.134 -1.415 2.501) 2.877 30.894 ( 3.101 -3.039 -3.402) 5.516 31.056 ( -1.133 1.797 -1.492) 2.596 31.154 ( 15.278 -0.026 -2.148) 15.428 31.259 ( 6.964 -0.379 6.182) 9.319 31.822 ( 19.504 -7.211 -17.397) 27.112 32.304 ( 1.515 0.578 10.811) 10.932 32.466 ( 7.044 1.757 -4.324) 8.450 32.892 ( 4.485 -9.305 1.400) 10.424 32.966 ( 4.026 -3.786 1.651) 5.768 33.872 ( -9.484 1.795 1.293) 9.738 33.951 ( -7.740 3.411 -2.089) 8.712 34.183 ( -7.246 -4.380 4.772) 9.719 34.698 ( -3.110 -11.253 3.390) 12.157 ======================= Grid point 105 (38/88) ======================= q-point: ( 0.30 0.17 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( 11.707 0.697 2.830) 12.064 1.665 ( 9.058 0.001 4.595) 10.157 1.797 ( 4.482 0.003 -2.032) 4.921 1.812 ( 8.977 2.302 0.884) 9.309 1.973 ( -2.199 2.089 3.339) 4.511 2.045 ( -2.269 1.445 -5.604) 6.217 2.259 ( 0.850 -2.631 -1.017) 2.946 2.380 ( -4.075 -1.747 -1.654) 4.732 2.395 ( 2.957 0.115 0.786) 3.062 2.660 ( -6.778 4.338 1.630) 8.211 2.768 ( -1.646 -0.254 0.764) 1.833 3.050 ( 12.651 0.101 -3.270) 13.067 3.165 ( 3.708 1.556 1.645) 4.345 3.258 ( 3.983 6.596 2.393) 8.068 3.319 ( -2.695 7.626 -6.653) 10.473 3.698 ( 2.762 4.720 9.182) 10.687 4.004 ( -5.949 1.312 6.794) 9.126 4.122 ( 5.613 -0.068 8.201) 9.938 4.129 ( -6.219 -0.919 -7.589) 9.855 4.271 ( 8.779 4.430 3.666) 10.494 4.294 ( 1.493 2.307 5.409) 6.067 4.547 ( 9.827 0.425 2.095) 10.056 4.739 ( 4.311 -4.952 -3.586) 7.482 4.828 ( 7.085 0.339 -2.358) 7.474 4.975 ( -1.231 -5.249 2.447) 5.921 5.032 ( 8.944 -1.185 -6.160) 10.925 5.128 ( 7.582 1.813 3.798) 8.672 5.259 ( 11.868 -2.246 -3.308) 12.524 5.330 ( 17.771 -0.541 3.171) 18.060 5.347 ( 10.008 1.674 0.432) 10.156 5.470 ( 16.260 -3.035 -2.963) 16.804 5.593 ( 8.128 -2.322 -0.270) 8.458 5.780 ( 8.059 5.893 4.351) 10.891 5.855 ( 6.172 -2.608 -8.792) 11.054 6.010 ( 7.854 -1.961 1.319) 8.202 6.138 ( 5.923 0.768 -1.549) 6.171 6.244 ( 6.318 0.899 0.107) 6.383 6.337 ( 8.811 1.681 -5.281) 10.409 6.403 ( 3.547 0.764 -0.658) 3.688 6.558 ( 1.350 6.836 -5.506) 8.881 6.662 ( 3.709 -0.585 -2.031) 4.268 7.022 ( -4.933 -0.511 -0.564) 4.992 7.039 ( -0.369 -3.575 2.570) 4.418 7.139 ( 2.924 4.623 10.765) 12.076 7.427 ( -4.858 -4.991 -4.257) 8.163 7.541 ( -7.352 -3.688 -4.889) 9.568 7.614 ( -3.703 -7.230 2.957) 8.644 7.664 ( -4.649 -0.450 4.734) 6.650 7.890 ( -1.969 -1.550 5.140) 5.718 7.955 ( -6.829 -1.588 -0.384) 7.022 8.042 ( -6.112 -3.318 -3.961) 8.004 8.332 ( -18.636 -3.823 -3.004) 19.260 9.127 ( -1.504 0.470 1.420) 2.122 9.175 ( -0.622 1.769 -1.372) 2.323 9.314 ( -4.088 -2.152 0.300) 4.630 9.474 ( 1.420 -4.447 1.032) 4.781 9.510 ( -3.473 -2.579 -0.676) 4.379 9.688 ( -0.864 -3.911 7.220) 8.257 9.786 ( 3.401 -0.055 -0.256) 3.411 9.950 ( 1.347 1.665 -0.466) 2.192 9.976 ( 1.554 0.181 -0.415) 1.619 10.191 ( -3.370 1.746 -4.639) 5.994 10.351 ( -2.784 -6.845 -1.469) 7.534 10.443 ( -1.862 4.596 -3.061) 5.828 10.597 ( 1.290 -3.803 2.451) 4.705 10.854 ( -4.546 -1.881 0.118) 4.921 10.946 ( -3.095 -0.871 3.867) 5.029 11.006 ( -0.600 3.054 1.796) 3.593 11.138 ( 0.128 0.930 -5.335) 5.417 11.311 ( -0.840 9.008 -1.697) 9.205 11.453 ( -1.863 5.977 -2.030) 6.581 11.654 ( -4.495 9.731 3.715) 11.345 12.483 ( 0.422 -1.157 0.127) 1.238 12.594 ( 3.246 -0.355 0.118) 3.268 12.730 ( -0.272 -0.046 -1.148) 1.181 12.762 ( 0.502 0.250 1.256) 1.375 13.548 ( -5.220 -1.208 -0.931) 5.438 13.660 ( -3.041 1.186 0.344) 3.282 13.835 ( -3.321 -6.901 1.294) 7.767 13.947 ( -1.659 -2.850 0.154) 3.302 14.865 ( 2.332 -1.235 -2.012) 3.318 14.936 ( 0.977 -0.623 -2.453) 2.712 15.067 ( 4.248 -4.191 4.386) 7.406 15.198 ( 0.276 1.559 1.943) 2.506 15.233 ( -1.958 5.220 -5.210) 7.631 15.343 ( 2.147 -2.732 2.781) 4.451 15.476 ( -1.275 2.417 -0.465) 2.772 15.544 ( -1.942 6.565 0.340) 6.855 15.616 ( 3.478 -2.791 -0.947) 4.558 15.725 ( 3.845 2.191 -0.684) 4.478 15.857 ( -0.702 3.175 -5.465) 6.359 16.153 ( -4.970 0.298 4.655) 6.816 16.539 ( 5.784 -1.049 0.230) 5.883 16.628 ( 3.418 0.143 1.552) 3.756 16.776 ( 0.539 -4.132 -1.595) 4.461 16.845 ( -0.850 -1.642 -0.021) 1.849 17.558 ( -0.543 1.766 2.544) 3.144 17.680 ( 2.601 0.553 -0.732) 2.758 17.741 ( -3.951 -1.018 0.759) 4.150 17.857 ( -3.446 -1.153 -1.931) 4.115 21.859 ( 3.246 4.031 0.058) 5.176 21.924 ( 2.810 6.568 -0.275) 7.149 22.333 ( -5.070 -3.039 0.393) 5.924 22.382 ( -4.752 -0.884 0.093) 4.834 26.743 ( -2.534 0.263 0.707) 2.644 26.779 ( -1.359 0.205 -1.000) 1.700 26.866 ( -2.137 0.642 -0.048) 2.232 26.896 ( -3.733 0.859 -0.116) 3.833 28.443 ( 0.828 0.871 0.954) 1.534 28.511 ( 0.352 0.418 0.721) 0.905 28.566 ( -1.419 1.852 0.143) 2.337 28.628 ( -1.537 0.571 -1.808) 2.441 29.395 ( 3.887 1.193 3.599) 5.430 29.424 ( -0.541 2.112 -1.473) 2.631 30.028 ( -6.952 -0.369 -6.715) 9.672 30.150 ( -1.212 -1.056 2.881) 3.299 30.719 ( 3.229 -0.805 0.092) 3.329 30.789 ( 1.226 0.612 0.675) 1.527 30.811 ( -1.295 -2.112 3.849) 4.577 30.915 ( 3.427 -1.082 -6.348) 7.295 30.997 ( -3.146 3.194 2.464) 5.115 31.412 ( 6.775 -2.847 6.950) 10.115 31.493 ( 15.149 1.745 -3.123) 15.566 31.970 ( 9.135 -5.045 -11.754) 15.718 32.424 ( 0.979 2.008 11.278) 11.497 32.586 ( 8.610 4.583 -4.297) 10.658 32.971 ( 5.089 -3.127 -3.056) 6.709 33.069 ( 4.803 -0.161 2.718) 5.521 33.660 ( -12.496 1.972 -0.568) 12.663 33.775 ( -9.500 2.409 0.213) 9.803 34.116 ( -2.326 -7.522 1.384) 7.995 34.672 ( -1.805 -14.092 1.179) 14.256 ======================= Grid point 106 (39/88) ======================= q-point: ( 0.40 0.17 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( 8.966 -2.949 2.550) 9.777 1.784 ( 0.768 -3.148 -0.339) 3.258 1.871 ( 4.738 1.277 2.698) 5.600 1.966 ( 2.405 3.476 2.398) 4.859 1.983 ( -0.546 2.511 3.787) 4.576 2.041 ( 5.625 3.085 -0.148) 6.417 2.216 ( -1.875 0.283 -1.153) 2.220 2.269 ( -4.045 -1.330 -3.548) 5.542 2.462 ( 1.985 -1.197 1.102) 2.567 2.538 ( -6.649 7.184 1.628) 9.923 2.748 ( -1.483 1.439 2.602) 3.322 3.151 ( 3.015 4.858 -2.318) 6.170 3.220 ( 2.212 -4.117 -4.007) 6.156 3.291 ( 1.303 3.893 0.667) 4.159 3.398 ( 5.961 7.947 0.793) 9.966 3.652 ( -10.134 6.739 4.657) 13.031 3.844 ( -7.939 7.475 -3.085) 11.332 4.126 ( 7.589 -0.580 9.264) 11.989 4.293 ( -0.758 -2.759 2.687) 3.925 4.364 ( 1.537 -1.916 10.982) 11.253 4.504 ( 7.845 2.076 2.824) 8.592 4.678 ( -2.256 -4.235 2.838) 5.575 4.771 ( 5.582 -2.782 3.524) 7.163 4.933 ( -1.105 -1.609 -2.018) 2.808 5.012 ( 11.527 0.508 -2.896) 11.896 5.135 ( 4.785 -2.385 -4.840) 7.212 5.260 ( 3.495 2.990 2.604) 5.285 5.389 ( 5.537 -1.513 -5.021) 7.626 5.448 ( 4.472 -4.589 -13.859) 15.269 5.565 ( 6.671 0.693 0.239) 6.711 5.694 ( 6.464 0.201 -2.610) 6.974 5.754 ( 1.232 2.005 -4.392) 4.983 5.816 ( 8.798 0.900 -2.174) 9.107 6.053 ( 14.092 3.571 2.344) 14.725 6.159 ( 3.959 -3.496 5.420) 7.568 6.292 ( 9.967 -0.847 1.438) 10.106 6.327 ( 0.176 5.898 -1.669) 6.132 6.477 ( 6.509 -2.406 -1.674) 7.139 6.518 ( 10.203 -0.592 -3.515) 10.808 6.591 ( 3.237 1.656 1.196) 3.828 6.768 ( 4.544 -1.048 0.486) 4.689 6.883 ( -3.383 0.501 -2.722) 4.370 6.957 ( -5.499 -0.570 0.562) 5.557 7.271 ( -7.310 -1.120 -2.605) 7.840 7.320 ( -1.998 -1.631 2.739) 3.762 7.411 ( -3.316 -0.692 2.736) 4.354 7.555 ( -0.216 -6.457 -0.147) 6.463 7.590 ( -7.962 -3.217 4.935) 9.904 7.777 ( -5.305 -0.022 -2.638) 5.925 7.840 ( -1.751 -0.417 3.329) 3.784 7.952 ( -12.326 0.197 -6.035) 13.725 8.084 ( 1.036 -3.092 1.772) 3.712 9.135 ( 0.131 1.904 3.155) 3.687 9.174 ( 0.169 1.463 0.653) 1.611 9.239 ( -2.346 -0.522 -1.260) 2.713 9.416 ( -4.014 1.999 0.204) 4.489 9.542 ( 0.937 -8.139 3.581) 8.941 9.700 ( -3.662 -7.136 6.331) 10.218 9.843 ( 3.458 -2.840 -3.612) 5.751 9.971 ( 3.038 -0.989 -3.113) 4.461 10.042 ( 3.815 1.699 1.078) 4.313 10.097 ( -1.536 0.661 -3.267) 3.670 10.293 ( -3.262 -3.634 0.543) 4.913 10.406 ( 1.377 3.782 -3.993) 5.669 10.638 ( 0.496 -4.121 1.780) 4.517 10.768 ( -4.279 -1.141 1.487) 4.671 10.916 ( -2.872 -2.147 3.389) 4.933 11.019 ( -0.660 5.050 4.174) 6.584 11.111 ( 1.907 -2.447 -6.600) 7.293 11.294 ( 0.352 8.582 -1.648) 8.746 11.406 ( -1.187 8.180 -1.678) 8.434 11.566 ( -4.860 6.202 -1.527) 8.026 12.475 ( -0.575 0.281 0.799) 1.024 12.656 ( 1.376 -3.832 0.357) 4.087 12.708 ( 0.785 1.933 -2.402) 3.182 12.778 ( -0.402 0.964 1.180) 1.576 13.472 ( -2.689 -0.769 1.156) 3.026 13.614 ( -1.653 1.229 -0.790) 2.206 13.796 ( -1.635 -8.056 1.628) 8.380 13.926 ( -0.961 -2.794 0.140) 2.959 14.889 ( 2.726 5.452 -3.765) 7.165 14.973 ( 3.807 -3.059 0.163) 4.886 15.126 ( -4.453 0.158 -0.938) 4.553 15.167 ( 2.541 0.300 -0.026) 2.558 15.269 ( 2.685 2.407 3.077) 4.741 15.339 ( -2.034 -0.335 -3.473) 4.039 15.418 ( -2.115 3.773 -0.198) 4.330 15.548 ( -1.249 5.558 6.942) 8.980 15.682 ( 4.058 -3.143 -1.793) 5.438 15.793 ( 3.980 1.372 -1.208) 4.380 15.831 ( 1.093 -1.182 -2.661) 3.110 16.056 ( -7.121 -1.562 1.401) 7.423 16.625 ( 1.804 -1.894 0.621) 2.688 16.716 ( 5.867 -0.312 -0.659) 5.912 16.771 ( -0.413 -3.244 -0.692) 3.343 16.820 ( -1.522 -0.736 0.206) 1.703 17.575 ( -0.227 1.187 3.082) 3.311 17.678 ( -2.838 -0.740 0.944) 3.081 17.715 ( 1.415 0.501 -1.198) 1.920 17.782 ( -2.164 -0.549 -2.109) 3.071 21.923 ( 3.127 3.095 -0.087) 4.401 21.994 ( 4.289 3.739 0.242) 5.695 22.224 ( -5.129 -1.851 -1.115) 5.566 22.305 ( -4.101 -1.025 1.039) 4.353 26.705 ( -2.027 0.417 1.255) 2.420 26.750 ( -0.522 0.940 -1.024) 1.485 26.832 ( -1.798 -0.249 0.803) 1.985 26.857 ( -0.428 0.298 -0.717) 0.887 28.469 ( 0.669 1.156 1.019) 1.680 28.518 ( -0.111 0.793 -0.032) 0.801 28.544 ( -0.775 1.671 0.140) 1.847 28.590 ( -0.615 1.090 -1.365) 1.852 29.361 ( 0.029 3.076 -1.709) 3.519 29.571 ( 4.699 -0.658 3.649) 5.986 29.837 ( -6.406 1.472 -3.228) 7.323 30.120 ( -2.954 -2.299 0.353) 3.760 30.769 ( 1.501 -0.452 0.300) 1.596 30.784 ( -0.482 -0.960 0.385) 1.141 30.831 ( 0.503 0.507 0.588) 0.925 30.879 ( -1.039 -1.661 -4.256) 4.685 31.055 ( 1.886 4.720 10.805) 11.941 31.545 ( 1.215 -2.743 7.343) 7.932 31.720 ( 12.026 -0.045 -7.348) 14.093 32.003 ( 3.053 -3.937 -8.067) 9.482 32.506 ( -1.800 3.762 9.806) 10.656 32.703 ( 6.151 7.785 -3.395) 10.486 33.061 ( 7.860 0.381 -4.746) 9.190 33.204 ( 6.163 0.479 4.536) 7.668 33.400 ( -12.194 2.766 -3.190) 12.905 33.593 ( -9.918 1.217 1.293) 10.076 34.114 ( 0.742 -10.067 1.686) 10.235 34.632 ( -1.469 -15.321 -3.953) 15.891 ======================= Grid point 107 (40/88) ======================= q-point: (-0.50 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( 0.101 -2.852 3.371) 4.417 1.917 ( 2.633 0.140 6.610) 7.117 1.941 ( -0.141 -0.256 0.986) 1.029 1.967 ( -2.710 0.893 5.023) 5.777 2.024 ( 1.121 2.784 0.914) 3.137 2.112 ( -1.379 1.220 -0.529) 1.916 2.192 ( 2.986 -1.013 -3.597) 4.783 2.211 ( 1.431 0.814 -2.006) 2.595 2.448 ( -3.335 5.396 3.120) 7.069 2.500 ( 1.221 2.724 -0.543) 3.034 2.769 ( 0.151 2.519 5.280) 5.852 3.129 ( -4.535 1.701 -8.537) 9.815 3.205 ( 1.611 2.768 -1.537) 3.552 3.268 ( -1.269 -3.588 -3.099) 4.908 3.466 ( 2.985 10.572 2.846) 11.348 3.545 ( -6.156 10.998 3.067) 12.971 3.907 ( 10.750 3.473 10.237) 15.245 4.121 ( -11.120 1.730 1.577) 11.364 4.380 ( 2.315 -5.398 5.296) 7.909 4.446 ( -0.475 -3.475 8.902) 9.568 4.567 ( -2.335 -3.803 3.584) 5.723 4.681 ( -2.273 2.428 3.889) 5.117 4.862 ( -0.332 -2.567 3.785) 4.586 4.899 ( -1.380 -0.793 0.742) 1.756 5.082 ( -1.748 -3.329 -6.697) 7.680 5.168 ( 2.109 -1.057 -2.558) 3.480 5.313 ( 3.842 4.300 -4.941) 7.593 5.404 ( 1.666 -1.171 -0.994) 2.266 5.472 ( 5.772 -1.635 -13.455) 14.732 5.554 ( -4.734 0.147 -6.261) 7.851 5.661 ( -1.686 4.962 -1.601) 5.480 5.800 ( 4.208 1.119 -1.828) 4.722 5.901 ( 1.146 -0.620 -2.000) 2.387 6.167 ( -4.065 4.482 -8.099) 10.110 6.245 ( -4.115 -2.508 9.539) 10.687 6.348 ( 4.832 0.488 1.706) 5.148 6.416 ( -1.060 -2.308 4.622) 5.274 6.591 ( -0.849 -0.614 0.745) 1.286 6.622 ( 2.457 -3.110 0.041) 3.964 6.684 ( 7.380 -1.626 1.808) 7.770 6.744 ( -3.692 -1.630 1.081) 4.178 6.844 ( 0.328 -1.394 -2.060) 2.509 6.938 ( -1.247 2.739 -4.689) 5.572 7.076 ( -0.133 -2.038 -7.745) 8.009 7.245 ( -9.981 2.898 4.865) 11.475 7.374 ( 4.633 1.176 -2.724) 5.502 7.530 ( -1.299 -2.539 4.376) 5.223 7.604 ( 1.593 -3.967 2.964) 5.202 7.711 ( 0.808 -0.912 -2.430) 2.718 7.759 ( -2.396 -0.319 -3.670) 4.394 7.952 ( 6.987 -0.836 5.913) 9.192 8.087 ( -1.981 -3.651 -0.049) 4.154 9.141 ( -2.280 2.129 2.494) 3.995 9.186 ( 0.558 1.918 1.971) 2.807 9.258 ( 4.809 0.759 0.004) 4.868 9.345 ( -2.787 0.289 -1.114) 3.016 9.560 ( -2.489 -7.296 4.035) 8.701 9.669 ( -3.929 -7.760 5.420) 10.249 9.841 ( 0.507 -4.374 -5.863) 7.332 10.012 ( 4.241 0.800 -5.771) 7.206 10.066 ( -1.265 -0.313 3.696) 3.919 10.118 ( 1.522 -1.420 -1.185) 2.395 10.264 ( 0.659 -1.975 1.277) 2.443 10.420 ( 3.302 0.974 -4.694) 5.821 10.634 ( -1.959 -1.136 2.687) 3.514 10.733 ( -0.915 -1.844 1.300) 2.435 10.896 ( -1.891 -0.949 3.079) 3.736 11.044 ( -0.661 5.048 5.686) 7.632 11.111 ( 3.350 -2.530 -5.936) 7.270 11.285 ( 0.325 7.610 -2.932) 8.162 11.382 ( -0.466 10.413 -0.604) 10.441 11.472 ( -1.390 4.098 -4.503) 6.245 12.493 ( 1.127 0.067 2.499) 2.742 12.624 ( -1.823 -2.597 -2.848) 4.264 12.749 ( 2.564 0.713 0.381) 2.688 12.760 ( -1.662 1.186 -0.343) 2.070 13.466 ( 0.501 -0.338 2.588) 2.657 13.582 ( -0.339 1.014 -2.032) 2.296 13.800 ( -0.405 -7.592 2.981) 8.167 13.912 ( 0.282 -3.516 -1.060) 3.683 14.914 ( 1.748 3.170 -1.978) 4.125 15.011 ( -3.158 -0.219 -3.934) 5.049 15.077 ( 3.649 0.987 2.030) 4.290 15.186 ( -0.367 3.022 0.574) 3.097 15.255 ( -3.241 1.308 -5.192) 6.259 15.270 ( -0.757 3.689 -0.365) 3.783 15.475 ( 2.999 0.054 6.029) 6.734 15.572 ( -1.946 3.034 5.506) 6.581 15.736 ( 2.849 -3.230 -1.625) 4.603 15.820 ( 1.408 -0.302 -3.593) 3.871 15.879 ( 3.061 -0.911 0.299) 3.208 15.924 ( -5.571 -0.928 -0.152) 5.650 16.641 ( -0.381 -2.375 0.609) 2.482 16.726 ( -2.101 -1.964 -2.845) 4.045 16.794 ( -1.599 -0.507 0.983) 1.944 16.823 ( 4.078 -1.866 0.418) 4.504 17.585 ( -1.713 1.114 3.181) 3.780 17.657 ( 0.084 -0.739 1.500) 1.674 17.721 ( 0.288 0.222 -1.768) 1.805 17.750 ( 0.918 0.314 -2.113) 2.326 21.971 ( 0.791 2.748 1.176) 3.092 22.036 ( -1.425 1.486 -1.355) 2.465 22.181 ( 2.511 -0.141 1.260) 2.813 22.240 ( -1.991 -0.971 -1.039) 2.446 26.690 ( -0.612 0.569 1.343) 1.581 26.747 ( 1.148 1.107 -1.017) 1.892 26.815 ( -0.801 -0.680 0.883) 1.373 26.851 ( 0.308 0.299 -0.637) 0.768 28.474 ( -0.837 1.393 0.558) 1.718 28.508 ( -0.423 0.590 -0.580) 0.930 28.543 ( 0.294 1.986 0.528) 2.076 28.587 ( 0.999 0.954 -0.768) 1.581 29.386 ( 2.655 2.918 1.401) 4.186 29.526 ( -6.125 0.389 -5.235) 8.067 29.862 ( 5.850 0.172 5.674) 8.152 30.056 ( -2.354 -2.065 -2.867) 4.245 30.766 ( -0.971 -0.094 0.868) 1.306 30.804 ( 0.935 0.040 -0.543) 1.082 30.837 ( 0.043 0.652 -0.882) 1.098 30.842 ( -0.144 0.524 -0.485) 0.728 31.197 ( 1.453 0.932 14.584) 14.686 31.580 ( -3.627 -2.960 6.720) 8.190 31.824 ( 6.237 -0.508 -11.631) 13.207 31.966 ( -0.346 -2.004 -6.084) 6.414 32.509 ( -5.516 4.406 8.297) 10.894 32.758 ( 2.029 8.946 -2.335) 9.466 33.132 ( -6.257 0.982 -2.536) 6.822 33.214 ( 4.675 3.363 -3.730) 6.862 33.385 ( 8.365 1.809 3.116) 9.108 33.431 ( -6.292 -0.763 0.778) 6.386 34.166 ( 1.571 -11.952 4.852) 12.995 34.544 ( -2.134 -14.712 -8.869) 17.311 ======================= Grid point 109 (41/88) ======================= q-point: (-0.40 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( -13.645 0.379 5.714) 14.798 1.845 ( -8.479 -0.574 1.010) 8.559 1.898 ( -1.573 -2.006 1.964) 3.218 1.947 ( -5.617 0.150 -0.949) 5.699 2.029 ( -1.799 1.460 0.724) 2.427 2.129 ( 5.098 0.609 4.010) 6.515 2.248 ( 4.811 2.617 -4.676) 7.201 2.295 ( 7.662 -3.295 -1.014) 8.402 2.431 ( -1.118 1.852 1.990) 2.939 2.527 ( 1.708 6.604 1.240) 6.933 2.802 ( -2.856 -1.449 4.409) 5.450 3.025 ( 0.557 6.800 -4.578) 8.216 3.116 ( -5.234 1.433 -2.924) 6.164 3.244 ( -1.530 -1.368 -1.578) 2.589 3.463 ( -1.935 11.228 -0.022) 11.394 3.633 ( 6.973 9.062 6.838) 13.323 3.925 ( -8.192 1.546 -0.381) 8.346 4.228 ( 8.048 -0.661 10.734) 13.432 4.277 ( -7.588 -4.178 1.535) 8.798 4.440 ( -11.208 -3.258 8.676) 14.543 4.559 ( -6.715 -0.089 2.493) 7.163 4.609 ( -3.988 3.964 5.851) 8.115 4.848 ( -6.329 -4.207 -0.963) 7.661 4.851 ( -1.650 -2.874 -0.388) 3.337 4.991 ( -2.843 -2.269 -4.211) 5.564 5.126 ( -1.164 1.224 -0.955) 1.940 5.269 ( -2.394 -0.355 -10.856) 11.122 5.367 ( -4.191 0.489 -8.752) 9.716 5.404 ( -4.213 1.254 -1.096) 4.530 5.449 ( -3.465 -2.047 2.780) 4.891 5.619 ( -2.815 2.243 -0.693) 3.665 5.772 ( -4.372 1.881 -6.928) 8.405 5.909 ( -6.170 2.810 -0.070) 6.780 5.948 ( -7.857 5.198 -1.755) 9.582 6.170 ( -11.003 -7.014 5.069) 13.998 6.296 ( -8.787 -1.169 -0.448) 8.876 6.341 ( -3.621 0.857 1.919) 4.187 6.481 ( -10.777 -4.580 -1.462) 11.801 6.556 ( -6.577 3.493 0.565) 7.469 6.666 ( -7.205 2.372 -6.458) 9.962 6.821 ( 0.744 -2.083 -1.301) 2.566 6.869 ( 7.615 -2.988 1.437) 8.305 6.905 ( 6.093 -2.727 1.411) 6.823 7.147 ( -3.179 6.155 4.104) 8.052 7.180 ( 9.055 -1.491 -3.451) 9.805 7.510 ( 8.846 -1.861 0.591) 9.059 7.601 ( 5.266 -2.378 5.751) 8.152 7.640 ( 0.927 -2.086 2.111) 3.109 7.754 ( 1.660 -2.925 -4.088) 5.294 7.806 ( 9.512 -2.503 -0.374) 9.843 8.024 ( -1.392 -0.688 -1.899) 2.453 8.130 ( 7.135 -1.112 1.109) 7.306 9.128 ( -0.702 1.815 1.877) 2.704 9.227 ( 2.123 3.421 2.214) 4.595 9.290 ( -0.665 -1.759 -2.394) 3.044 9.395 ( 7.380 -0.694 0.929) 7.470 9.521 ( -4.433 -6.396 4.723) 9.103 9.642 ( -3.614 -7.058 4.686) 9.211 9.794 ( 0.156 -3.271 -4.936) 5.923 9.993 ( -3.775 5.620 -0.323) 6.778 10.081 ( -1.505 0.672 3.170) 3.573 10.114 ( 3.267 -8.454 -5.574) 10.640 10.327 ( 4.063 -2.752 -0.537) 4.937 10.442 ( 3.292 -2.710 -5.343) 6.836 10.637 ( -1.427 1.942 5.030) 5.578 10.747 ( 2.281 -0.844 0.389) 2.463 10.885 ( -1.554 0.788 1.896) 2.575 11.101 ( 1.054 5.727 6.905) 9.032 11.131 ( 3.445 -1.390 -5.332) 6.499 11.253 ( -0.629 7.752 -3.899) 8.700 11.368 ( 0.177 6.038 -2.174) 6.420 11.466 ( 3.273 7.521 -1.664) 8.370 12.540 ( -0.245 -2.432 1.580) 2.910 12.580 ( 1.058 -0.615 -0.773) 1.447 12.709 ( -2.674 1.834 -1.270) 3.482 12.794 ( 1.527 -0.225 0.408) 1.596 13.526 ( 3.235 -0.184 2.653) 4.188 13.575 ( 1.634 0.686 -2.344) 2.938 13.809 ( -0.540 -5.388 1.735) 5.686 13.939 ( 2.743 -6.194 0.096) 6.775 14.849 ( -4.493 0.663 -2.129) 5.016 15.005 ( 3.053 4.078 -2.104) 5.511 15.124 ( -1.710 1.346 -2.060) 2.997 15.149 ( -3.319 2.660 0.572) 4.292 15.183 ( 1.383 -0.135 0.960) 1.688 15.308 ( 3.195 2.950 1.409) 4.571 15.524 ( -2.264 -1.235 1.735) 3.108 15.583 ( 0.155 2.632 3.026) 4.014 15.753 ( -1.220 -2.367 -3.252) 4.204 15.776 ( -4.119 -2.766 1.313) 5.132 15.838 ( 2.138 1.684 -4.940) 5.640 15.990 ( 5.050 0.032 2.998) 5.873 16.604 ( -4.270 -0.107 0.953) 4.377 16.658 ( -3.255 -0.269 -1.169) 3.469 16.775 ( -0.146 -2.961 -0.177) 2.970 16.883 ( 2.027 -2.199 -0.198) 2.997 17.575 ( -1.693 1.278 3.360) 3.973 17.694 ( 1.259 -0.807 0.392) 1.546 17.695 ( -0.323 0.001 -0.691) 0.763 17.782 ( 3.665 0.396 -2.316) 4.354 21.931 ( -4.396 2.221 -0.109) 4.927 21.990 ( -2.737 4.425 0.278) 5.211 22.219 ( 2.403 -1.936 -1.103) 3.277 22.302 ( 6.226 -0.737 1.014) 6.351 26.703 ( 0.987 0.567 0.915) 1.461 26.779 ( 2.986 0.734 -1.109) 3.269 26.812 ( -0.245 -0.676 1.031) 1.257 26.859 ( 0.991 0.834 -0.522) 1.396 28.457 ( -1.122 0.970 0.770) 1.671 28.499 ( -0.308 0.121 0.109) 0.348 28.557 ( 0.774 2.370 0.095) 2.495 28.604 ( 1.399 0.870 -1.220) 2.050 29.371 ( -5.299 2.242 -2.841) 6.417 29.478 ( 4.143 1.256 3.774) 5.744 29.986 ( -0.896 -0.331 -5.407) 5.491 30.043 ( 7.488 -1.522 3.571) 8.434 30.754 ( -0.929 -1.233 0.445) 1.607 30.794 ( -1.387 -0.109 0.552) 1.497 30.823 ( -1.060 0.839 0.289) 1.383 30.865 ( 2.455 2.958 -1.275) 4.050 31.320 ( -1.327 -2.833 12.229) 12.623 31.516 ( -8.671 -3.772 7.073) 11.808 31.737 ( -4.568 2.578 -12.058) 13.149 31.930 ( 2.017 -0.990 -7.184) 7.527 32.441 ( -7.383 2.914 6.753) 10.421 32.742 ( -2.218 6.041 -1.221) 6.550 32.986 ( -5.064 1.440 -2.075) 5.659 33.193 ( -6.515 2.441 1.225) 7.064 33.480 ( 11.115 -0.181 -2.931) 11.496 33.582 ( 9.359 1.807 2.181) 9.778 34.238 ( -0.214 -13.901 7.892) 15.986 34.431 ( -0.210 -11.757 -10.122) 15.515 ======================= Grid point 110 (42/88) ======================= q-point: (-0.30 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( -23.024 5.472 7.921) 24.956 1.564 ( -18.031 -0.432 -2.226) 18.173 1.811 ( -8.723 3.851 3.283) 10.084 1.931 ( 0.420 -5.958 -0.632) 6.006 1.981 ( -0.767 -1.570 -3.627) 4.026 2.223 ( -0.814 -0.921 0.540) 1.342 2.336 ( 5.697 2.552 2.889) 6.878 2.417 ( 7.465 -1.423 -5.145) 9.178 2.453 ( 2.877 1.474 -0.373) 3.254 2.586 ( -0.107 2.631 5.148) 5.783 2.697 ( -5.948 -3.988 -4.415) 8.413 2.966 ( -5.139 4.886 -2.507) 7.521 3.079 ( -1.094 6.999 4.776) 8.544 3.161 ( -6.186 4.351 -0.011) 7.563 3.409 ( -2.528 8.131 -3.906) 9.368 3.781 ( 3.530 0.204 4.642) 5.836 3.898 ( 4.362 6.064 6.605) 9.972 4.094 ( -8.307 -3.217 -0.442) 8.919 4.253 ( -13.449 -0.293 6.450) 14.918 4.344 ( -7.098 -1.100 8.314) 10.987 4.447 ( -6.243 -1.560 -1.104) 6.529 4.565 ( -5.604 5.680 5.223) 9.536 4.686 ( -8.391 -4.033 1.417) 9.417 4.737 ( -8.864 -0.525 -3.826) 9.668 4.889 ( -5.542 -1.207 -4.376) 7.164 5.036 ( -4.949 -3.517 -5.832) 8.419 5.160 ( -0.894 0.983 -1.151) 1.757 5.245 ( -2.471 -0.727 -1.454) 2.958 5.300 ( -7.967 -1.683 0.428) 8.154 5.366 ( -8.126 0.776 2.738) 8.610 5.469 ( -12.625 -0.578 -0.929) 12.672 5.590 ( -13.730 2.594 -5.109) 14.878 5.663 ( -4.123 1.773 1.198) 4.645 5.785 ( -17.350 1.496 1.207) 17.456 5.926 ( -10.153 -6.539 0.180) 12.078 6.155 ( -7.567 -0.390 3.505) 8.349 6.263 ( -10.615 0.289 -0.969) 10.663 6.338 ( -3.877 5.514 -10.119) 12.159 6.405 ( 6.625 4.674 -4.033) 9.055 6.525 ( -6.982 -2.465 -0.078) 7.405 6.747 ( -8.663 0.788 -1.802) 8.884 6.925 ( 0.545 2.589 0.576) 2.708 7.088 ( 7.598 -5.896 3.191) 10.133 7.225 ( 6.606 1.623 5.051) 8.473 7.346 ( 9.781 -1.991 -0.266) 9.985 7.567 ( -6.040 -7.209 -4.297) 10.340 7.674 ( 2.797 -2.810 2.488) 4.681 7.734 ( 1.461 0.315 1.580) 2.175 7.837 ( 8.703 -4.919 2.974) 10.430 8.024 ( 12.063 -4.163 0.765) 12.784 8.093 ( 11.832 1.186 0.277) 11.895 8.246 ( 7.205 -0.150 -5.118) 8.839 9.139 ( 0.168 0.838 1.076) 1.374 9.267 ( 1.308 -3.530 -3.555) 5.177 9.313 ( 4.161 3.711 2.066) 5.946 9.449 ( -2.145 -3.576 1.421) 4.405 9.569 ( 3.892 -3.277 4.637) 6.884 9.587 ( -3.814 -6.097 0.372) 7.202 9.790 ( 1.428 -3.421 -0.411) 3.730 9.905 ( -4.512 6.518 1.233) 8.023 10.057 ( -2.213 -0.479 1.594) 2.769 10.153 ( 4.734 -6.908 -5.587) 10.067 10.371 ( 2.028 -1.186 -2.534) 3.456 10.483 ( 4.721 -4.698 -2.858) 7.248 10.638 ( -1.568 1.999 2.604) 3.638 10.842 ( 6.239 1.280 1.286) 6.497 10.877 ( -0.526 0.087 2.080) 2.147 11.152 ( 2.869 -4.105 -3.915) 6.357 11.173 ( 0.262 11.753 1.499) 11.851 11.216 ( 0.654 8.875 -0.756) 8.931 11.354 ( 0.747 4.900 -3.203) 5.902 11.559 ( 5.697 7.397 3.162) 9.857 12.512 ( -1.641 -2.719 0.444) 3.207 12.627 ( -2.013 -0.841 -0.009) 2.182 12.660 ( 2.290 1.377 0.318) 2.691 12.809 ( -0.148 -0.233 -0.153) 0.316 13.601 ( 3.508 0.124 -2.014) 4.047 13.632 ( 5.179 0.151 1.359) 5.357 13.828 ( 1.586 -4.904 1.180) 5.287 13.999 ( 2.980 -7.837 0.554) 8.403 14.781 ( -1.760 2.720 1.235) 3.467 14.956 ( -2.271 5.407 -7.606) 9.605 15.099 ( -1.393 -0.046 -0.672) 1.547 15.145 ( 1.658 1.606 4.419) 4.985 15.233 ( 0.595 -1.802 3.890) 4.328 15.362 ( 0.493 -1.048 -0.951) 1.498 15.465 ( -2.169 -1.502 -1.770) 3.177 15.606 ( 0.535 2.653 0.315) 2.725 15.642 ( -5.476 -0.981 -0.744) 5.613 15.742 ( -2.446 -0.612 0.326) 2.542 15.829 ( 1.200 5.840 -6.735) 8.995 16.131 ( 5.772 -0.815 4.927) 7.633 16.506 ( -6.722 3.100 0.790) 7.444 16.584 ( -3.045 -0.730 0.243) 3.141 16.790 ( 1.776 -4.036 -0.655) 4.458 16.903 ( 0.471 -2.466 -0.203) 2.519 17.573 ( -1.669 1.241 3.378) 3.967 17.658 ( -0.974 1.583 -1.483) 2.378 17.758 ( 3.181 -2.357 1.352) 4.183 17.837 ( 3.940 0.283 -2.566) 4.710 21.850 ( -3.586 4.591 0.039) 5.826 21.925 ( -3.371 5.747 -0.271) 6.669 22.289 ( 4.606 -2.088 0.300) 5.066 22.424 ( 5.520 -1.773 0.197) 5.801 26.739 ( 2.033 0.309 0.384) 2.092 26.807 ( 0.654 -1.209 -0.900) 1.643 26.854 ( 3.474 1.569 0.236) 3.820 26.883 ( 2.377 1.655 -0.179) 2.902 28.450 ( -0.451 0.025 1.201) 1.283 28.498 ( -0.111 -0.336 0.622) 0.716 28.567 ( 0.542 2.388 -0.789) 2.573 28.620 ( 1.312 1.406 -0.951) 2.146 29.297 ( -1.219 2.817 0.938) 3.210 29.584 ( 3.228 -1.079 2.023) 3.960 29.931 ( 0.522 1.761 -5.318) 5.626 30.184 ( 4.235 -2.353 0.649) 4.888 30.732 ( -1.909 -1.803 0.553) 2.684 30.766 ( -1.825 -1.308 -0.202) 2.254 30.817 ( -0.135 1.481 2.132) 2.599 30.896 ( 1.604 3.667 -1.826) 4.399 31.276 ( -10.166 -2.287 2.874) 10.809 31.366 ( -10.342 -3.254 -0.588) 10.858 31.535 ( -9.977 2.248 2.511) 10.531 31.902 ( 2.086 -1.707 -9.940) 10.299 32.348 ( -6.464 1.029 3.081) 7.235 32.659 ( -5.584 1.824 -0.019) 5.874 32.888 ( -4.212 -1.765 -0.745) 4.628 33.073 ( -6.826 -0.634 1.205) 6.960 33.693 ( 11.204 -0.089 -0.644) 11.223 33.784 ( 10.799 3.585 0.253) 11.381 34.261 ( -1.109 -15.329 2.925) 15.645 34.432 ( 4.721 -7.168 0.009) 8.583 ======================= Grid point 111 (43/88) ======================= q-point: (-0.20 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( -21.435 7.354 13.219) 26.235 1.182 ( -20.102 6.926 2.438) 21.401 1.610 ( -15.979 7.024 3.817) 17.867 1.880 ( -4.894 -4.298 -1.788) 6.754 1.963 ( -0.211 -2.909 0.776) 3.018 2.098 ( -11.881 4.429 -3.148) 13.065 2.373 ( -6.638 -1.729 -0.344) 6.868 2.435 ( -4.266 3.253 2.170) 5.787 2.522 ( 7.038 -1.670 -8.356) 11.052 2.550 ( -4.268 -3.003 -2.650) 5.853 2.636 ( 2.805 1.910 -1.046) 3.551 2.845 ( -2.574 -9.663 0.774) 10.030 2.997 ( -8.242 5.339 4.133) 10.655 3.134 ( 1.527 13.924 2.786) 14.282 3.364 ( 1.184 7.609 -3.141) 8.317 3.851 ( -5.369 -2.298 0.740) 5.887 4.002 ( -3.941 -1.126 1.873) 4.506 4.029 ( -3.112 0.845 6.131) 6.927 4.088 ( 0.846 0.415 1.781) 2.015 4.188 ( -7.180 6.441 1.336) 9.738 4.308 ( -6.514 0.343 5.842) 8.757 4.399 ( -14.832 0.555 -4.601) 15.539 4.511 ( -7.476 3.067 1.236) 8.174 4.595 ( -5.709 -5.396 12.507) 14.769 4.733 ( -8.863 -2.383 -1.604) 9.317 4.961 ( -10.131 1.974 -0.031) 10.322 5.030 ( -13.528 -0.474 -2.730) 13.809 5.084 ( -3.596 -5.028 -0.562) 6.207 5.170 ( -9.088 1.602 -6.731) 11.422 5.216 ( -8.276 0.962 2.067) 8.584 5.248 ( -5.715 0.380 -0.554) 5.755 5.405 ( 1.287 -1.110 0.660) 1.823 5.490 ( -11.930 -0.127 5.600) 13.179 5.638 ( -3.359 -5.573 -4.292) 7.795 5.738 ( -7.092 -5.402 0.191) 8.917 6.022 ( -10.850 2.804 1.531) 11.311 6.078 ( -6.355 -1.939 1.113) 6.737 6.247 ( -1.143 3.136 -9.034) 9.631 6.417 ( 0.623 -2.256 -3.518) 4.226 6.498 ( -1.397 3.597 -1.190) 4.038 6.539 ( -3.323 4.377 1.083) 5.601 6.982 ( 3.545 3.064 2.536) 5.328 7.198 ( 3.288 -3.224 -0.368) 4.619 7.327 ( -5.597 1.609 -6.196) 8.504 7.432 ( 4.408 -2.910 2.624) 5.897 7.475 ( 0.148 -4.355 2.490) 5.018 7.758 ( 2.851 -5.255 -0.314) 5.987 7.809 ( 1.278 0.532 7.843) 7.964 7.905 ( 3.833 0.172 -1.127) 3.999 8.174 ( 6.288 -5.860 -6.805) 10.963 8.298 ( 6.937 -4.123 -6.106) 10.120 8.556 ( 22.233 -4.441 8.246) 24.125 9.137 ( -0.629 -0.150 0.029) 0.648 9.272 ( 2.471 -6.030 -4.398) 7.862 9.401 ( 1.533 1.044 2.746) 3.313 9.439 ( -0.421 -2.964 1.905) 3.549 9.524 ( 0.157 -2.277 -3.012) 3.779 9.632 ( -1.044 -1.276 2.936) 3.367 9.821 ( 0.531 -2.686 2.011) 3.397 9.866 ( -0.391 4.988 2.074) 5.417 10.042 ( -0.120 -0.412 0.640) 0.771 10.167 ( -0.139 -5.112 -4.535) 6.835 10.419 ( 4.739 -1.819 -0.126) 5.077 10.573 ( 6.897 -1.245 -2.054) 7.303 10.626 ( -0.573 1.869 0.012) 1.955 10.885 ( 0.102 -0.006 0.821) 0.827 10.992 ( 6.899 -1.338 1.806) 7.256 11.121 ( -1.395 4.491 -3.268) 5.727 11.187 ( 2.225 3.714 -3.654) 5.665 11.250 ( -0.607 10.308 4.319) 11.193 11.358 ( 3.002 6.512 -2.828) 7.708 11.735 ( 8.501 7.711 5.547) 12.747 12.474 ( -3.824 -1.447 0.139) 4.091 12.569 ( -1.846 -1.382 0.853) 2.459 12.736 ( 3.567 -1.032 0.486) 3.744 12.784 ( -1.899 0.354 -1.194) 2.271 13.659 ( 4.020 0.317 -1.751) 4.396 13.749 ( 6.080 -0.169 -0.355) 6.093 13.895 ( 4.422 -4.065 1.795) 6.269 14.056 ( 2.725 -7.362 -0.574) 7.871 14.797 ( 0.807 1.388 3.887) 4.206 14.874 ( 0.220 6.042 -5.408) 8.111 15.093 ( 1.326 0.182 0.400) 1.397 15.178 ( -2.880 1.916 1.408) 3.735 15.244 ( -2.891 -5.420 -0.899) 6.208 15.289 ( -1.025 -1.969 -2.971) 3.708 15.464 ( 0.653 -1.200 1.682) 2.167 15.521 ( -5.803 -3.164 -0.128) 6.611 15.624 ( 0.386 3.715 -0.663) 3.793 15.687 ( -2.686 5.609 -0.314) 6.227 15.799 ( 1.660 11.478 -4.163) 12.322 16.268 ( 4.148 -0.800 3.762) 5.657 16.360 ( -7.412 3.035 -1.837) 8.217 16.565 ( -0.324 -1.719 2.702) 3.219 16.803 ( -0.616 -5.264 -2.674) 5.936 16.926 ( 2.760 -1.866 0.990) 3.475 17.560 ( -2.125 1.053 2.482) 3.433 17.643 ( 0.480 3.065 -0.906) 3.232 17.830 ( 3.053 -3.073 0.705) 4.388 17.890 ( 3.505 0.115 -1.673) 3.886 21.798 ( -1.999 7.011 0.558) 7.312 21.877 ( -1.081 7.682 0.045) 7.758 22.385 ( 4.355 -1.900 1.260) 4.916 22.511 ( 3.873 -2.128 -0.970) 4.524 26.783 ( 2.151 -0.160 0.161) 2.163 26.809 ( 0.283 -1.214 -0.976) 1.583 26.898 ( 2.112 3.349 -0.437) 3.984 26.975 ( 6.175 3.607 0.444) 7.165 28.451 ( -0.294 -0.916 0.261) 0.997 28.499 ( -0.394 0.051 0.450) 0.600 28.584 ( 1.547 2.323 1.217) 3.044 28.642 ( 1.687 1.412 -0.824) 2.349 29.345 ( 4.144 1.906 3.739) 5.898 29.584 ( -0.940 -1.242 -8.942) 9.076 29.944 ( 2.180 0.738 1.602) 2.804 30.184 ( -4.289 -2.348 -1.383) 5.082 30.693 ( -2.701 -0.901 1.753) 3.344 30.715 ( -2.994 -1.999 -1.976) 4.107 30.805 ( -5.583 1.766 -0.091) 5.856 30.884 ( -2.410 3.180 1.026) 4.120 31.068 ( -8.580 -1.598 -0.342) 8.734 31.168 ( -5.081 1.058 -3.334) 6.169 31.361 ( -13.530 -2.877 7.074) 15.536 31.821 ( -0.978 -5.187 -17.313) 18.099 32.235 ( -6.490 0.661 0.183) 6.526 32.544 ( -5.790 -0.070 -0.037) 5.791 32.808 ( -6.650 -10.047 5.158) 13.106 32.936 ( -7.998 -6.657 1.312) 10.489 33.873 ( 7.244 -0.080 0.943) 7.306 33.995 ( 10.750 4.907 -1.563) 11.920 34.294 ( 1.482 -14.391 5.058) 15.326 34.579 ( 8.125 -5.324 4.078) 10.535 ======================= Grid point 112 (44/88) ======================= q-point: (-0.10 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( -15.323 9.735 23.223) 29.477 0.904 ( -10.036 20.666 10.493) 25.257 1.263 ( -24.472 12.851 11.121) 29.795 1.712 ( -10.049 7.284 -1.047) 12.455 1.762 ( -13.236 6.366 -7.749) 16.606 1.994 ( 0.367 -2.648 3.947) 4.767 2.215 ( -7.255 -2.347 0.114) 7.626 2.252 ( -9.663 -1.236 -1.221) 9.818 2.495 ( 3.104 -4.203 -7.415) 9.070 2.549 ( 2.930 -2.740 -8.767) 9.641 2.717 ( 3.525 1.519 -0.883) 3.938 2.869 ( 1.728 -9.945 2.425) 10.382 2.954 ( -2.807 -0.261 8.700) 9.145 3.213 ( 6.052 16.366 1.812) 17.543 3.359 ( 0.253 2.488 -3.602) 4.385 3.697 ( -6.481 0.945 -1.070) 6.636 3.823 ( -6.364 1.464 0.829) 6.583 3.973 ( -4.052 6.241 -5.924) 9.512 4.069 ( -3.766 1.715 3.897) 5.685 4.133 ( -5.825 -4.710 -2.190) 7.805 4.277 ( -1.067 -0.988 2.890) 3.235 4.333 ( -5.460 -2.792 3.135) 6.888 4.391 ( -2.837 7.409 12.786) 15.047 4.493 ( -9.264 -0.198 2.800) 9.680 4.582 ( -7.451 -2.702 1.640) 8.094 4.707 ( -8.761 3.557 -4.025) 10.277 4.820 ( -11.706 -2.247 -3.013) 12.295 4.931 ( -0.323 -2.425 0.795) 2.573 5.011 ( -1.238 -0.072 -4.491) 4.659 5.116 ( -8.003 -0.998 2.563) 8.463 5.240 ( -1.729 -3.490 1.101) 4.048 5.334 ( -13.342 -17.665 6.257) 23.004 5.430 ( -6.683 4.215 4.557) 9.122 5.492 ( 6.039 2.746 -2.676) 7.153 5.719 ( -1.036 -5.419 0.952) 5.599 5.844 ( -6.772 3.397 -1.365) 7.698 5.910 ( -8.992 -3.795 1.089) 9.820 6.198 ( 3.547 2.933 -5.321) 7.035 6.382 ( -6.334 -2.629 6.046) 9.143 6.482 ( 5.708 0.814 -3.438) 6.713 6.656 ( 7.717 3.609 2.328) 8.831 7.084 ( 4.318 4.365 2.551) 6.649 7.148 ( -5.331 4.520 -7.150) 9.998 7.222 ( 0.084 2.773 -3.939) 4.818 7.425 ( -2.018 -7.175 1.019) 7.523 7.554 ( 1.461 0.080 6.216) 6.386 7.748 ( 0.993 0.493 -3.514) 3.685 7.865 ( -0.724 -2.660 2.629) 3.810 8.073 ( 4.006 -7.991 5.710) 10.608 8.217 ( 5.656 -3.890 3.524) 7.717 8.365 ( 6.125 -9.702 -6.576) 13.225 8.947 ( 9.783 -9.532 1.460) 13.736 9.163 ( 4.017 -2.441 2.199) 5.190 9.281 ( 1.441 -6.474 -1.972) 6.919 9.394 ( -2.141 -4.924 2.363) 5.866 9.476 ( 3.003 4.500 0.699) 5.455 9.513 ( -1.370 -4.186 -1.942) 4.813 9.640 ( 0.052 -0.059 3.500) 3.501 9.830 ( -0.296 4.472 1.688) 4.789 9.910 ( 1.776 -0.361 -0.781) 1.974 10.062 ( 0.870 -0.076 2.395) 2.549 10.103 ( -1.967 -4.820 -1.186) 5.339 10.496 ( 1.482 -3.139 1.919) 3.966 10.597 ( -1.028 0.001 -1.556) 1.864 10.724 ( 7.621 3.150 -1.529) 8.387 10.896 ( 1.678 2.767 -0.462) 3.269 11.071 ( -1.556 2.787 -0.668) 3.261 11.111 ( 4.967 0.294 -2.460) 5.550 11.193 ( -1.030 3.930 1.785) 4.437 11.252 ( -1.281 5.431 2.194) 5.996 11.443 ( 7.694 10.549 -3.070) 13.413 11.929 ( 7.420 5.671 -1.648) 9.483 12.374 ( -4.795 2.066 -0.960) 5.309 12.542 ( -3.987 -4.177 -0.600) 5.805 12.721 ( -3.114 0.595 -1.111) 3.359 12.787 ( 1.721 -1.960 -0.966) 2.781 13.721 ( 3.183 0.102 -0.068) 3.186 13.860 ( 5.970 1.060 -1.430) 6.229 14.027 ( 6.880 0.037 0.839) 6.931 14.091 ( 2.617 -5.259 -2.133) 6.249 14.849 ( 2.457 0.304 0.879) 2.627 14.898 ( 3.260 -0.375 0.724) 3.361 15.060 ( -3.446 1.769 -3.619) 5.301 15.112 ( -5.840 -3.395 -3.381) 7.554 15.169 ( 2.446 2.441 -0.166) 3.459 15.315 ( 1.680 -2.429 2.303) 3.745 15.431 ( -3.212 -5.413 0.224) 6.298 15.473 ( -1.827 -2.197 1.663) 3.306 15.632 ( 1.157 2.997 -0.444) 3.243 15.666 ( 1.550 9.896 -1.189) 10.087 15.865 ( 8.826 18.047 0.085) 20.090 16.228 ( -3.354 0.980 -1.232) 3.705 16.332 ( 0.051 2.302 0.519) 2.361 16.611 ( 2.560 -2.628 1.749) 4.065 16.697 ( -6.360 -7.469 -6.101) 11.552 16.989 ( 1.647 -1.412 -2.415) 3.246 17.538 ( -1.494 1.412 1.479) 2.533 17.654 ( 1.540 4.399 -2.242) 5.172 17.882 ( 1.993 -2.838 0.917) 3.587 17.944 ( 2.497 -0.835 -0.177) 2.639 21.781 ( -0.586 9.056 1.073) 9.138 21.898 ( 3.249 9.450 -0.884) 10.032 22.467 ( 2.612 -1.290 1.987) 3.526 22.564 ( 2.860 -1.334 -1.191) 3.373 26.805 ( 0.250 -1.233 0.220) 1.278 26.820 ( 1.368 -0.419 0.088) 1.434 26.954 ( 3.078 4.934 2.604) 6.372 27.134 ( 11.677 8.279 -0.657) 14.329 28.448 ( 0.252 -0.945 -0.253) 1.010 28.493 ( -0.465 0.004 0.431) 0.634 28.626 ( 0.235 1.518 1.448) 2.111 28.691 ( 4.928 2.405 -0.332) 5.493 29.393 ( -7.233 0.280 -12.625) 14.552 29.525 ( 9.969 0.388 4.008) 10.751 29.972 ( -8.163 -2.260 0.773) 8.505 30.023 ( -5.240 -0.578 1.023) 5.370 30.596 ( -5.508 0.498 -2.780) 6.190 30.667 ( -5.065 0.243 1.202) 5.211 30.681 ( -1.587 -0.273 3.731) 4.064 30.757 ( -8.473 0.512 1.138) 8.564 31.034 ( 0.830 -2.391 -4.041) 4.768 31.099 ( -4.327 0.521 0.275) 4.367 31.163 ( -7.588 -2.262 1.705) 8.100 31.441 ( -22.478 -10.643 -19.229) 31.437 32.146 ( -3.646 0.816 4.638) 5.956 32.448 ( -3.296 -0.148 -1.717) 3.719 32.681 ( -14.232 -21.298 18.147) 31.392 32.856 ( -1.124 -6.524 0.406) 6.633 33.991 ( 4.187 1.334 0.782) 4.464 34.141 ( 6.074 4.526 -3.260) 8.246 34.385 ( 0.312 -14.388 10.355) 17.729 34.766 ( 7.282 -7.034 0.285) 10.128 ======================= Grid point 113 (45/88) ======================= q-point: ( 0.00 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( -1.368 14.183 18.746) 23.546 1.242 ( -6.722 18.743 8.737) 21.745 1.536 ( -0.317 13.655 6.263) 15.026 1.745 ( 5.196 6.330 -4.573) 9.379 1.853 ( 2.425 3.386 1.547) 4.443 1.959 ( -2.001 0.281 2.401) 3.138 2.094 ( -2.020 3.558 1.716) 4.437 2.125 ( 1.299 -0.855 -1.452) 2.128 2.329 ( -0.125 -6.136 -6.212) 8.732 2.480 ( 2.871 -3.256 -8.492) 9.538 2.620 ( 0.224 -9.224 7.988) 12.204 2.811 ( 0.034 -8.485 1.874) 8.690 3.041 ( -0.148 8.928 4.828) 10.151 3.309 ( -0.438 -1.274 -0.312) 1.383 3.486 ( 1.004 7.633 -3.708) 8.545 3.711 ( -0.317 0.255 1.016) 1.095 3.758 ( 2.091 -0.236 1.018) 2.338 3.838 ( -1.449 -6.495 -8.831) 11.058 4.084 ( -0.948 4.710 6.015) 7.698 4.127 ( -5.412 1.037 0.695) 5.554 4.226 ( 2.786 1.080 0.539) 3.036 4.299 ( 4.179 -2.630 7.819) 9.247 4.402 ( -4.256 6.250 -2.289) 7.900 4.462 ( -2.006 -0.419 -0.161) 2.055 4.543 ( -3.879 0.183 0.242) 3.891 4.613 ( 2.521 -0.744 3.928) 4.726 4.723 ( -4.283 3.704 -0.575) 5.692 4.885 ( -1.206 -1.937 5.301) 5.771 4.986 ( 0.133 -2.290 -2.644) 3.501 5.049 ( 1.108 7.118 0.670) 7.235 5.129 ( 2.707 -0.591 0.186) 2.777 5.192 ( 1.850 3.565 5.704) 6.977 5.421 ( -4.002 -4.909 -2.981) 7.000 5.486 ( -4.068 -3.762 -1.542) 5.751 5.558 ( 4.236 -3.212 0.986) 5.406 5.700 ( -1.708 -6.483 -0.630) 6.734 5.996 ( 1.421 7.333 5.940) 9.544 6.221 ( -1.010 0.080 -2.808) 2.985 6.449 ( 2.174 6.181 3.481) 7.420 6.575 ( 1.107 0.905 -0.931) 1.706 6.791 ( 4.258 3.051 0.368) 5.251 7.020 ( -0.266 -2.710 -4.801) 5.519 7.181 ( 0.804 -1.335 0.611) 1.674 7.263 ( -1.496 -1.059 -0.140) 1.838 7.408 ( 3.165 0.926 9.075) 9.656 7.642 ( 2.674 -7.436 3.492) 8.639 7.736 ( -3.753 6.266 -1.948) 7.559 7.833 ( -4.389 6.607 -6.889) 10.506 7.949 ( -2.074 -1.936 -4.402) 5.237 8.110 ( 2.617 -9.156 -6.679) 11.632 8.319 ( 4.329 -6.786 7.295) 10.863 8.697 ( -2.490 -15.311 -8.100) 17.500 9.108 ( -0.995 -3.187 3.382) 4.752 9.199 ( 1.912 -7.119 1.276) 7.480 9.338 ( -0.547 -1.755 -0.381) 1.877 9.369 ( -1.755 -3.474 -1.723) 4.256 9.619 ( -0.856 -0.128 1.843) 2.036 9.648 ( 0.827 1.868 5.043) 5.441 9.804 ( -1.119 -2.257 0.506) 2.569 9.896 ( 0.512 -2.414 -2.147) 3.271 10.075 ( 1.864 4.889 2.272) 5.705 10.184 ( -0.563 7.091 -3.987) 8.154 10.451 ( 1.624 -5.518 2.862) 6.425 10.539 ( -0.721 -5.445 -1.549) 5.707 10.896 ( -0.686 7.291 1.306) 7.438 10.984 ( -1.297 2.624 -1.603) 3.337 11.130 ( 7.084 1.399 0.075) 7.222 11.159 ( -6.426 0.461 0.377) 6.454 11.217 ( -6.612 1.781 0.353) 6.857 11.375 ( 8.338 4.667 -4.099) 10.397 11.793 ( 3.717 8.304 3.160) 9.631 11.868 ( -3.525 -5.015 1.758) 6.377 12.408 ( 1.007 4.402 0.038) 4.516 12.457 ( -3.003 2.655 -1.207) 4.186 12.684 ( 0.363 -0.895 0.629) 1.153 12.730 ( 0.129 -3.538 -1.130) 3.717 13.788 ( 1.304 1.561 0.984) 2.259 13.907 ( -0.760 -1.915 -3.866) 4.381 14.021 ( -1.159 0.133 2.352) 2.626 14.129 ( 0.579 -1.938 -2.037) 2.871 14.807 ( -1.349 -2.570 -1.088) 3.100 14.888 ( 3.941 -3.148 -3.900) 6.376 15.084 ( 3.928 2.835 -0.622) 4.884 15.111 ( -4.381 2.946 -2.069) 5.670 15.156 ( 4.822 -1.565 0.169) 5.073 15.237 ( -5.602 -3.691 -1.962) 6.989 15.358 ( 1.287 -0.085 2.904) 3.178 15.383 ( -3.095 -1.456 2.692) 4.353 15.701 ( -0.284 3.620 -0.884) 3.737 15.765 ( -0.737 2.181 -2.347) 3.288 16.123 ( 2.798 1.059 -0.511) 3.035 16.161 ( -1.122 -0.955 -1.694) 2.245 16.437 ( -1.546 4.378 0.103) 4.644 16.556 ( 2.818 2.278 -4.088) 5.463 16.641 ( 3.284 -3.311 -0.266) 4.672 16.785 ( -5.911 -6.834 -3.269) 9.609 17.610 ( -0.136 4.456 1.744) 4.787 17.744 ( 0.219 3.867 -4.214) 5.723 17.844 ( -0.061 -3.511 2.226) 4.158 17.940 ( 1.420 -2.594 -1.575) 3.350 22.015 ( 0.451 9.703 1.126) 9.778 22.065 ( -0.760 5.805 -0.823) 5.912 22.495 ( 0.023 -0.441 2.273) 2.316 22.569 ( 0.120 -2.056 -0.869) 2.236 26.807 ( 0.415 -0.089 0.880) 0.977 26.824 ( 0.117 -0.448 0.079) 0.469 27.111 ( -0.398 5.238 1.511) 5.466 27.315 ( 0.103 -3.176 -6.616) 7.340 28.449 ( 0.121 -0.039 0.964) 0.972 28.472 ( -0.741 -0.663 0.146) 1.005 28.669 ( -0.480 2.652 -0.781) 2.806 28.735 ( -1.698 -0.032 -4.408) 4.724 29.496 ( 13.168 1.592 5.429) 14.332 29.626 ( -4.458 -2.856 -1.518) 5.507 29.823 ( 5.207 1.274 1.996) 5.720 29.925 ( -4.092 -2.474 -1.845) 5.126 30.572 ( 0.712 0.955 0.275) 1.222 30.596 ( 0.960 0.269 -0.828) 1.296 30.652 ( -1.242 -0.018 1.575) 2.006 30.734 ( 8.960 -2.787 2.415) 9.690 30.778 ( -6.419 1.142 1.106) 6.613 30.920 ( -1.870 -4.103 -2.246) 5.037 31.151 ( -0.031 0.255 1.858) 1.876 31.162 ( -1.864 -0.102 1.681) 2.512 32.173 ( -1.472 2.145 6.719) 7.205 32.355 ( -3.343 -6.200 9.615) 11.919 32.430 ( 0.524 0.040 2.413) 2.469 32.674 ( 0.767 -9.479 -0.575) 9.527 34.100 ( -0.103 3.419 1.903) 3.914 34.246 ( -0.814 -1.975 3.446) 4.054 34.323 ( -0.909 4.359 -0.935) 4.550 34.642 ( 0.427 -8.581 -6.378) 10.701 ======================= Grid point 114 (46/88) ======================= q-point: ( 0.10 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( 0.734 12.676 10.220) 16.299 1.355 ( 4.961 15.487 14.675) 21.905 1.589 ( 1.760 8.001 1.242) 8.286 1.833 ( 0.203 5.702 1.743) 5.966 1.926 ( 10.194 4.327 -5.805) 12.504 2.018 ( 1.941 -8.637 7.496) 11.600 2.137 ( 3.882 5.014 0.744) 6.385 2.231 ( 7.790 0.706 -3.478) 8.560 2.274 ( 2.428 -3.533 -8.434) 9.461 2.474 ( 6.915 -1.426 -8.500) 11.050 2.717 ( 1.564 -7.770 8.201) 11.405 2.795 ( -1.901 -7.353 0.360) 7.603 3.125 ( 2.928 6.936 7.934) 10.938 3.262 ( -0.933 5.671 -4.802) 7.490 3.571 ( 5.340 1.782 5.516) 7.881 3.667 ( 0.663 -0.485 -9.445) 9.480 3.810 ( 3.209 1.495 -3.150) 4.739 3.889 ( 5.320 -3.830 2.993) 7.206 4.030 ( -2.391 7.432 1.338) 7.921 4.260 ( 8.566 3.655 6.360) 11.277 4.306 ( 3.897 2.158 2.516) 5.116 4.355 ( -2.624 -0.598 3.411) 4.345 4.392 ( 8.509 6.110 -3.248) 10.967 4.465 ( 8.238 -5.449 7.212) 12.230 4.622 ( 4.978 -0.391 0.618) 5.032 4.664 ( 3.178 7.590 -0.040) 8.229 4.738 ( 3.405 -11.622 1.206) 12.171 4.984 ( 6.484 4.060 -4.421) 8.836 5.013 ( 2.893 -0.695 -7.092) 7.691 5.047 ( 0.637 -2.007 4.798) 5.240 5.186 ( 4.981 1.104 -2.082) 5.510 5.351 ( -0.383 -7.498 -1.943) 7.755 5.409 ( 10.909 3.424 7.321) 13.577 5.452 ( 3.485 -0.446 2.131) 4.109 5.690 ( 6.195 -3.678 1.498) 7.359 5.747 ( 9.823 -6.348 1.446) 11.785 6.050 ( -0.128 5.313 2.270) 5.779 6.158 ( -1.725 2.472 -2.249) 3.761 6.532 ( 3.366 3.286 -0.917) 4.793 6.614 ( 4.185 5.311 0.944) 6.827 6.841 ( -2.045 3.429 0.316) 4.005 6.982 ( 2.195 -0.166 -6.332) 6.704 7.200 ( -5.854 -1.512 -0.488) 6.066 7.223 ( 2.433 -1.496 1.143) 3.076 7.454 ( -7.308 0.053 1.595) 7.480 7.589 ( -2.495 1.062 5.844) 6.442 7.702 ( -4.059 -0.695 -2.245) 4.690 7.752 ( 1.771 2.013 0.256) 2.694 7.834 ( -5.490 -4.990 -5.074) 8.988 8.088 ( 0.215 -5.774 -6.625) 8.790 8.397 ( -4.163 -10.774 4.817) 12.515 8.520 ( -6.754 -12.002 -5.536) 14.843 9.127 ( 0.287 -2.919 2.413) 3.798 9.224 ( 0.432 -5.883 -1.854) 6.183 9.317 ( -1.358 -3.667 0.589) 3.955 9.338 ( -0.719 -3.883 1.062) 4.089 9.591 ( -3.491 1.405 1.198) 3.950 9.678 ( -2.368 -0.224 5.501) 5.993 9.761 ( -1.359 1.826 -2.027) 3.048 9.903 ( 0.544 -3.028 0.033) 3.076 10.101 ( -0.613 2.895 -3.067) 4.262 10.175 ( 2.226 4.664 1.099) 5.284 10.450 ( -2.725 -3.972 -1.121) 4.945 10.542 ( 0.117 -4.712 0.952) 4.809 10.833 ( -5.880 8.450 0.603) 10.312 10.925 ( -2.024 2.105 -1.108) 3.124 11.023 ( -6.733 -0.304 -0.107) 6.741 11.078 ( -5.256 -1.701 0.204) 5.528 11.279 ( 6.075 4.719 0.150) 7.693 11.521 ( 7.260 2.849 -2.905) 8.322 11.747 ( -8.352 3.376 -1.944) 9.216 11.842 ( -2.201 5.880 6.074) 8.735 12.407 ( 0.023 3.588 -0.190) 3.593 12.474 ( 3.836 1.457 0.367) 4.120 12.715 ( 1.291 -1.506 -0.396) 2.023 12.722 ( 0.666 -2.066 -0.727) 2.289 13.795 ( -2.769 -0.228 -0.637) 2.850 13.825 ( -3.033 -0.278 -1.805) 3.540 13.928 ( -9.025 0.489 1.250) 9.124 14.037 ( -6.779 -2.578 -0.355) 7.261 14.768 ( -1.330 0.247 -0.675) 1.512 14.911 ( 0.633 -6.370 -5.216) 8.257 15.028 ( 1.458 2.191 -0.382) 2.659 15.093 ( -3.779 -0.653 -3.028) 4.887 15.185 ( 3.953 2.048 1.258) 4.627 15.311 ( 6.822 -2.997 1.147) 7.539 15.371 ( 0.277 0.776 1.085) 1.363 15.429 ( 2.762 0.043 3.367) 4.356 15.699 ( 0.805 3.485 0.448) 3.605 15.737 ( -0.428 2.239 -1.366) 2.658 16.142 ( 1.035 3.255 -0.319) 3.430 16.250 ( 7.592 -2.553 -0.611) 8.033 16.388 ( -3.971 8.203 -1.172) 9.189 16.518 ( -3.646 0.815 -2.852) 4.700 16.663 ( 2.674 -4.537 -0.395) 5.282 16.733 ( 0.373 -7.221 0.288) 7.237 17.615 ( -0.970 4.027 2.257) 4.717 17.707 ( -0.503 4.297 -3.241) 5.405 17.826 ( -2.936 -3.174 1.280) 4.509 17.935 ( -0.672 -3.151 -1.817) 3.698 22.010 ( -1.929 9.304 0.287) 9.506 22.048 ( 0.054 7.741 0.544) 7.760 22.461 ( -4.976 -1.053 1.630) 5.341 22.522 ( -3.537 -2.650 -0.926) 4.515 26.811 ( -0.732 -0.062 0.189) 0.759 26.819 ( -0.519 -0.366 0.073) 0.639 27.072 ( -4.820 3.292 1.835) 6.118 27.174 ( -7.622 -0.801 -3.301) 8.345 28.446 ( -0.651 0.422 0.476) 0.910 28.476 ( 0.442 -0.845 0.818) 1.256 28.655 ( -0.641 1.842 0.405) 1.992 28.678 ( -0.982 0.846 -1.425) 1.926 29.414 ( -7.051 4.663 -2.930) 8.947 29.650 ( -4.961 -5.440 -2.352) 7.729 29.958 ( 9.596 -0.194 0.715) 9.624 30.032 ( 8.751 -2.737 0.883) 9.211 30.612 ( 4.378 1.623 -1.374) 4.867 30.685 ( 2.813 1.663 0.556) 3.315 30.697 ( 5.371 -1.823 1.172) 5.792 30.785 ( 1.992 -0.567 2.392) 3.165 30.935 ( 11.989 -0.076 -5.526) 13.201 31.093 ( 4.228 -2.723 -0.139) 5.031 31.142 ( 2.625 -0.418 0.647) 2.736 31.219 ( 19.603 -7.895 -3.169) 21.369 32.229 ( 0.981 2.642 8.423) 8.882 32.397 ( 3.202 -1.162 1.837) 3.870 32.524 ( 4.126 -5.723 8.132) 10.766 32.720 ( 4.860 -9.076 -0.832) 10.329 34.061 ( -5.742 3.591 2.444) 7.200 34.195 ( -5.360 2.162 -1.592) 5.995 34.247 ( -7.533 0.633 3.323) 8.258 34.554 ( -3.891 -9.395 -4.452) 11.101 ======================= Grid point 115 (47/88) ======================= q-point: ( 0.20 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( 5.435 6.159 7.513) 11.132 1.578 ( 8.198 3.336 0.909) 8.897 1.636 ( 5.364 12.339 2.933) 13.771 1.837 ( -2.182 0.887 4.226) 4.838 2.030 ( 2.124 1.237 -4.916) 5.497 2.096 ( 3.407 -6.189 1.680) 7.261 2.137 ( -0.355 -1.035 -5.825) 5.927 2.255 ( 4.114 -5.462 -1.317) 6.964 2.383 ( 5.320 5.211 -1.876) 7.679 2.665 ( 8.813 -3.857 -2.691) 9.989 2.749 ( 4.075 -2.375 0.771) 4.780 2.807 ( 0.668 -4.688 1.671) 5.022 3.253 ( 3.462 4.090 5.463) 7.652 3.261 ( 4.709 6.784 0.179) 8.260 3.588 ( 0.161 4.950 -9.115) 10.374 3.690 ( 0.245 5.232 7.404) 9.069 3.918 ( 7.736 3.672 3.923) 9.419 3.986 ( 3.031 0.144 4.306) 5.267 4.062 ( 6.823 1.076 -1.271) 7.023 4.324 ( -0.984 8.092 3.155) 8.741 4.403 ( 1.392 -1.427 -0.367) 2.028 4.491 ( 1.193 4.087 3.616) 5.585 4.577 ( 4.021 -3.775 1.080) 5.620 4.671 ( 8.772 -0.080 8.386) 12.136 4.752 ( 7.302 -2.451 1.163) 7.789 4.858 ( 13.731 -1.371 -3.503) 14.237 4.889 ( 20.475 -1.358 0.345) 20.523 5.018 ( 5.323 -5.009 -2.438) 7.705 5.074 ( 6.473 7.414 -3.990) 10.620 5.164 ( 9.981 1.531 -0.950) 10.142 5.264 ( 5.886 -3.947 -3.082) 7.728 5.351 ( 2.982 -4.386 -0.111) 5.305 5.586 ( 9.987 -4.754 -1.722) 11.194 5.633 ( 5.841 -2.858 3.767) 7.516 5.948 ( 7.618 4.608 7.826) 11.854 5.982 ( 15.516 -0.416 -0.509) 15.530 6.086 ( 4.743 2.900 -1.168) 5.681 6.177 ( 8.203 -0.115 -0.481) 8.218 6.600 ( 4.305 1.528 -1.129) 4.706 6.670 ( -1.864 9.939 -8.408) 13.152 6.687 ( -4.212 -2.504 -6.597) 8.218 6.967 ( -4.155 0.872 1.247) 4.425 7.082 ( -3.538 0.672 2.846) 4.590 7.267 ( 0.016 4.703 0.862) 4.782 7.346 ( -3.166 -9.114 1.631) 9.785 7.512 ( -4.569 0.282 -4.947) 6.740 7.631 ( -6.551 -4.944 -3.056) 8.758 7.696 ( -5.111 -7.365 4.977) 10.253 7.807 ( 1.496 4.451 5.971) 7.597 8.022 ( -2.726 -2.190 -3.171) 4.720 8.204 ( -10.372 -4.790 -5.105) 12.513 8.412 ( -7.664 -12.591 1.935) 14.867 9.139 ( 0.092 -1.002 -0.784) 1.276 9.201 ( -0.148 -2.840 -2.552) 3.821 9.310 ( -0.251 -4.762 1.511) 5.003 9.345 ( -1.184 -3.661 3.209) 5.011 9.525 ( -3.042 1.634 0.311) 3.467 9.647 ( -4.939 -2.141 5.383) 7.613 9.745 ( 0.904 1.691 -1.347) 2.343 9.911 ( 0.710 -3.561 -1.062) 3.783 10.049 ( -0.409 3.693 -4.260) 5.653 10.230 ( -0.441 -1.782 4.288) 4.665 10.356 ( -4.050 1.160 -3.509) 5.483 10.527 ( -2.594 -1.348 2.980) 4.174 10.700 ( -6.462 6.685 -2.223) 9.560 10.885 ( -4.323 -3.188 -3.154) 6.229 10.942 ( 0.971 0.920 2.112) 2.500 11.022 ( -1.896 -1.311 1.273) 2.633 11.318 ( -1.570 6.368 -2.496) 7.018 11.563 ( -6.558 3.634 -3.584) 8.310 11.596 ( 2.041 7.078 -1.311) 7.482 11.835 ( -3.591 3.048 6.365) 7.918 12.438 ( 2.036 1.823 1.190) 2.981 12.531 ( 1.668 -1.709 -0.264) 2.402 12.726 ( 1.110 -0.104 0.802) 1.374 12.745 ( 1.457 -0.403 -1.518) 2.142 13.659 ( -6.646 -0.308 -2.859) 7.241 13.761 ( -7.765 -2.977 0.699) 8.345 13.794 ( -2.877 0.772 1.604) 3.383 13.921 ( -4.523 -3.580 0.262) 5.775 14.766 ( 1.108 -0.228 1.129) 1.598 14.883 ( 1.706 -5.025 -2.999) 6.095 15.035 ( 0.408 2.689 -3.279) 4.260 15.120 ( 5.143 -2.076 1.562) 5.762 15.252 ( 2.300 2.246 0.459) 3.247 15.378 ( -0.438 1.707 0.503) 1.833 15.426 ( 5.313 -2.155 -1.039) 5.827 15.505 ( 1.942 1.482 2.840) 3.746 15.723 ( -0.509 3.570 -0.156) 3.610 15.733 ( 1.866 2.690 0.409) 3.300 16.102 ( -5.834 4.708 -4.621) 8.807 16.220 ( -7.130 -0.166 3.722) 8.045 16.412 ( 7.309 1.527 -1.892) 7.703 16.552 ( 4.335 3.419 3.200) 6.382 16.672 ( 0.711 -6.751 -3.451) 7.615 16.769 ( 1.220 -5.170 2.403) 5.831 17.611 ( -1.395 3.292 2.329) 4.267 17.686 ( 0.728 2.979 -2.105) 3.719 17.770 ( -3.475 -2.247 1.091) 4.280 17.886 ( -2.284 -3.433 -2.477) 4.810 21.979 ( -1.027 8.720 0.062) 8.781 22.058 ( 0.385 7.692 0.481) 7.717 22.360 ( -5.988 -2.759 1.057) 6.677 22.432 ( -4.662 -3.509 -1.078) 5.934 26.788 ( -1.588 0.241 -0.109) 1.610 26.801 ( -1.090 -0.392 -0.400) 1.226 26.974 ( -5.374 2.178 0.043) 5.799 27.019 ( -6.970 0.363 0.199) 6.982 28.448 ( 0.426 1.209 0.632) 1.429 28.492 ( 0.550 -0.593 1.321) 1.549 28.636 ( -1.262 1.796 -0.538) 2.260 28.664 ( -0.669 0.209 -0.187) 0.725 29.351 ( 1.281 4.844 0.842) 5.081 29.525 ( -3.807 -2.179 -3.493) 5.607 30.094 ( 3.116 -0.659 0.752) 3.272 30.122 ( 1.145 -1.714 -2.544) 3.274 30.682 ( 3.146 2.332 -2.353) 4.568 30.743 ( 2.755 0.655 3.185) 4.262 30.776 ( -1.839 -1.777 4.262) 4.970 30.826 ( 5.219 -3.417 -5.477) 8.301 31.084 ( -1.820 1.080 1.424) 2.551 31.144 ( 9.326 -1.299 1.453) 9.528 31.286 ( 14.786 3.889 -1.319) 15.346 31.625 ( 21.695 -11.015 -13.043) 27.606 32.346 ( 3.101 3.731 10.105) 11.210 32.518 ( 8.617 2.348 -0.406) 8.941 32.693 ( 7.407 -7.808 4.482) 11.659 32.853 ( 9.109 -7.031 -0.280) 11.510 33.925 ( -9.857 3.259 1.742) 10.527 34.038 ( -8.859 3.493 -1.446) 9.632 34.103 ( -8.900 -1.573 1.720) 9.200 34.440 ( -5.613 -12.562 -0.618) 13.773 ======================= Grid point 116 (48/88) ======================= q-point: ( 0.30 0.33 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( 7.697 2.964 0.615) 8.271 1.682 ( 6.603 0.816 -2.431) 7.084 1.834 ( 0.865 2.902 3.559) 4.673 1.864 ( 8.812 3.228 6.536) 11.437 2.019 ( -0.035 1.924 1.028) 2.182 2.066 ( 1.231 0.520 -7.227) 7.349 2.172 ( 1.098 -5.521 -3.932) 6.866 2.299 ( -0.375 -4.909 4.420) 6.617 2.425 ( 0.681 3.001 0.869) 3.197 2.687 ( -1.412 -3.654 -0.959) 4.033 2.739 ( -2.377 0.742 -0.126) 2.493 2.981 ( 9.209 -6.986 0.310) 11.563 3.338 ( 1.524 9.773 -1.592) 10.018 3.371 ( 4.827 10.067 2.573) 11.457 3.587 ( 3.500 10.342 -1.152) 10.979 3.759 ( 3.203 3.088 5.766) 7.283 4.042 ( -0.682 0.543 -2.006) 2.187 4.110 ( 3.740 3.079 10.551) 11.610 4.162 ( -4.788 1.217 0.021) 4.941 4.304 ( 0.584 -1.670 4.171) 4.531 4.348 ( 5.429 2.600 -0.326) 6.028 4.579 ( 0.881 -5.211 -1.513) 5.497 4.614 ( 4.056 2.680 2.865) 5.643 4.837 ( 1.137 -5.716 5.091) 7.738 4.898 ( 7.084 4.553 -2.819) 8.880 5.052 ( 11.417 1.621 -5.195) 12.647 5.171 ( 5.840 1.672 -0.111) 6.076 5.185 ( 12.465 -3.827 -4.399) 13.761 5.289 ( 12.844 -3.875 1.365) 13.485 5.365 ( 9.167 -1.196 0.920) 9.290 5.430 ( 13.672 -0.307 -1.818) 13.796 5.530 ( 16.544 -2.568 -3.178) 17.041 5.750 ( 9.223 -4.690 -3.946) 11.074 5.809 ( 11.204 -3.565 1.718) 11.882 6.064 ( 4.039 6.928 4.661) 9.276 6.178 ( 5.219 2.143 0.784) 5.696 6.307 ( 11.500 4.344 1.824) 12.428 6.364 ( 8.620 0.979 -5.742) 10.404 6.460 ( -1.260 4.329 -7.461) 8.717 6.632 ( -1.236 -0.104 0.121) 1.246 6.680 ( 3.130 1.264 -1.964) 3.905 6.927 ( -1.381 -6.981 2.563) 7.563 7.026 ( -4.725 2.441 -1.561) 5.543 7.240 ( -1.992 2.253 3.287) 4.455 7.353 ( -0.729 -1.376 5.863) 6.067 7.406 ( -2.611 -5.997 -5.998) 8.874 7.471 ( -6.499 -5.609 -1.228) 8.672 7.634 ( -6.160 -3.707 4.746) 8.614 7.866 ( -2.275 0.165 4.242) 4.816 7.926 ( -5.945 -0.617 0.043) 5.977 8.011 ( -3.766 0.374 -3.185) 4.947 8.211 ( -11.907 -7.693 -2.671) 14.426 9.137 ( 1.270 0.912 -1.414) 2.108 9.193 ( 0.857 -0.270 -0.776) 1.188 9.301 ( -2.891 -0.978 2.200) 3.762 9.355 ( 0.619 -3.962 2.360) 4.653 9.483 ( -2.678 -0.782 1.346) 3.098 9.594 ( -4.902 -4.317 5.502) 8.540 9.760 ( 1.962 -0.432 -2.335) 3.081 9.913 ( 2.064 -4.368 -5.019) 6.967 10.038 ( 1.724 3.441 -1.489) 4.126 10.174 ( -5.910 -4.200 0.795) 7.294 10.300 ( -1.863 4.074 1.311) 4.667 10.474 ( -4.320 -3.074 -0.232) 5.307 10.609 ( -1.278 4.615 -0.025) 4.789 10.797 ( -3.069 -3.526 -0.363) 4.688 10.956 ( -1.843 1.550 1.455) 2.813 11.024 ( 1.888 -1.384 -1.142) 2.604 11.223 ( -4.237 7.745 -2.221) 9.104 11.444 ( -2.973 2.418 -2.739) 4.711 11.601 ( -0.367 7.826 -1.135) 7.917 11.793 ( -4.849 2.581 2.556) 6.058 12.479 ( 0.861 0.689 0.867) 1.402 12.551 ( 0.959 -2.799 0.357) 2.980 12.750 ( 0.963 1.203 -1.932) 2.472 12.766 ( 1.375 0.227 1.262) 1.880 13.530 ( -4.980 -0.117 -0.504) 5.006 13.655 ( -3.910 -4.448 0.993) 6.005 13.732 ( -3.668 0.293 -0.433) 3.705 13.867 ( -1.893 -4.368 0.211) 4.766 14.826 ( 3.748 -0.106 2.051) 4.274 14.944 ( 5.111 -3.641 -0.197) 6.278 15.043 ( 2.385 3.882 -1.043) 4.674 15.203 ( 1.133 -2.059 1.030) 2.566 15.288 ( 1.894 1.023 -1.354) 2.543 15.354 ( -0.836 4.869 -1.206) 5.085 15.522 ( 3.611 -2.528 1.110) 4.545 15.539 ( 1.646 1.190 -1.403) 2.469 15.710 ( -1.014 5.403 0.506) 5.521 15.767 ( 1.351 1.505 0.297) 2.045 15.918 ( -7.248 4.078 -3.078) 8.868 16.127 ( -6.388 -2.733 2.505) 7.386 16.542 ( 5.322 0.080 1.257) 5.469 16.601 ( 0.423 -2.662 -0.678) 2.779 16.704 ( 3.227 -1.362 0.071) 3.503 16.795 ( 0.444 -2.804 0.538) 2.890 17.603 ( -1.293 2.427 2.327) 3.603 17.687 ( -0.443 -0.678 -0.483) 0.943 17.725 ( -1.160 0.450 0.523) 1.349 17.819 ( -2.134 -2.486 -2.767) 4.288 21.976 ( 0.697 6.750 0.012) 6.786 22.071 ( 0.918 6.926 -0.245) 6.991 22.258 ( -5.096 -4.007 0.170) 6.485 22.339 ( -4.244 -3.318 0.030) 5.387 26.752 ( -1.959 0.631 0.143) 2.063 26.778 ( -1.006 -0.358 -0.349) 1.123 26.887 ( -3.557 1.217 0.080) 3.760 26.910 ( -4.213 0.354 0.027) 4.228 28.470 ( 1.188 1.667 0.796) 2.196 28.518 ( 0.795 -0.041 1.273) 1.502 28.605 ( -1.292 1.804 -0.703) 2.327 28.638 ( -1.142 0.272 -1.194) 1.674 29.431 ( 2.822 2.126 2.103) 4.112 29.464 ( 0.714 1.395 -0.572) 1.668 30.029 ( -5.513 0.793 -4.576) 7.209 30.116 ( -2.247 -2.293 0.814) 3.312 30.714 ( 2.334 0.461 -1.088) 2.616 30.770 ( -1.129 -1.286 2.989) 3.444 30.802 ( 1.423 -0.022 0.541) 1.523 30.858 ( 1.651 -3.143 -3.628) 5.076 31.100 ( 1.127 5.995 5.153) 7.985 31.335 ( 5.990 -4.697 6.753) 10.176 31.554 ( 14.848 4.474 -6.359) 16.760 31.835 ( 11.334 -7.732 -11.278) 17.761 32.500 ( 3.568 5.614 10.499) 12.429 32.706 ( 10.895 5.776 -1.187) 12.388 32.870 ( 9.326 -5.631 -0.633) 10.913 33.036 ( 8.757 -3.513 0.854) 9.474 33.719 ( -11.682 3.660 -0.422) 12.249 33.847 ( -10.549 4.088 0.785) 11.341 33.958 ( -6.217 -6.158 -0.322) 8.757 34.332 ( -4.936 -17.206 -0.845) 17.921 ======================= Grid point 117 (49/88) ======================= q-point: ( 0.40 0.33 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( 4.674 0.663 3.658) 5.972 1.777 ( 4.976 0.536 0.275) 5.012 1.900 ( 2.855 2.125 2.067) 4.116 2.010 ( 0.182 1.820 1.716) 2.508 2.064 ( 2.773 1.463 -2.846) 4.235 2.084 ( 3.840 0.697 3.945) 5.550 2.144 ( 1.066 -1.473 -1.956) 2.671 2.304 ( -2.385 -0.250 1.500) 2.829 2.450 ( 2.081 1.022 0.442) 2.360 2.660 ( 0.376 -3.796 0.025) 3.815 2.684 ( -4.512 3.500 2.318) 6.163 3.071 ( 0.673 -9.661 -1.743) 9.840 3.356 ( 2.832 12.669 -1.369) 13.054 3.439 ( -0.077 9.286 -0.753) 9.317 3.646 ( 2.366 12.270 1.213) 12.554 3.765 ( -5.416 4.862 2.143) 7.587 4.043 ( -2.009 7.372 -0.189) 7.643 4.069 ( 5.671 -0.417 2.854) 6.362 4.268 ( -0.123 -0.833 8.380) 8.423 4.331 ( -3.656 -0.875 9.882) 10.573 4.478 ( 1.960 -4.530 0.510) 4.962 4.539 ( 1.625 -8.741 -1.560) 9.026 4.760 ( 4.864 1.106 4.538) 6.743 4.883 ( 0.387 -3.331 3.830) 5.091 5.015 ( 7.229 2.203 -5.403) 9.290 5.141 ( 4.273 1.686 -5.510) 7.174 5.298 ( 8.007 -1.838 -6.869) 10.709 5.333 ( 7.180 -3.433 -5.047) 9.424 5.393 ( 4.360 1.583 -2.850) 5.445 5.549 ( 4.830 -2.458 2.326) 5.898 5.699 ( 12.591 0.216 -1.966) 12.746 5.760 ( 9.259 -1.528 -4.922) 10.596 5.862 ( 2.190 3.337 -0.670) 4.048 6.038 ( 8.618 -4.897 4.612) 10.932 6.183 ( 5.966 6.483 3.117) 9.346 6.302 ( 6.535 1.631 1.103) 6.826 6.394 ( 5.434 -1.504 -3.636) 6.709 6.441 ( 0.762 -0.382 -3.212) 3.323 6.546 ( 8.128 3.488 -2.894) 9.306 6.616 ( 0.481 0.707 3.772) 3.868 6.756 ( 1.960 0.520 -2.267) 3.041 6.865 ( -5.470 -2.825 0.775) 6.205 6.954 ( 1.330 0.988 -3.367) 3.752 7.209 ( -8.294 -7.154 -5.780) 12.384 7.299 ( 0.038 1.113 7.037) 7.124 7.373 ( -1.066 -1.722 3.246) 3.826 7.432 ( 0.046 -3.763 1.333) 3.992 7.529 ( -7.756 -3.187 4.431) 9.484 7.782 ( -4.632 0.843 -1.747) 5.021 7.840 ( -2.290 -0.015 1.843) 2.939 7.952 ( -8.208 -0.071 -3.897) 9.087 8.010 ( -0.765 -3.473 0.367) 3.575 9.171 ( 2.520 1.661 0.069) 3.019 9.213 ( 0.408 1.752 1.220) 2.173 9.260 ( -1.357 1.980 -0.034) 2.401 9.375 ( -1.271 -5.741 0.288) 5.887 9.440 ( -2.827 -0.996 3.825) 4.859 9.551 ( -4.469 -6.073 5.853) 9.545 9.772 ( 2.121 -2.240 -5.052) 5.919 9.911 ( 4.159 -5.852 -9.539) 11.939 10.076 ( 1.704 0.949 -0.018) 1.950 10.100 ( -2.319 1.432 3.583) 4.502 10.262 ( -3.110 0.007 1.837) 3.612 10.395 ( -2.396 -5.228 -2.040) 6.102 10.617 ( 0.216 3.067 2.714) 4.101 10.744 ( -3.389 -1.516 1.741) 4.101 10.932 ( -0.584 2.553 0.232) 2.629 11.041 ( 1.783 -3.190 -4.447) 5.756 11.166 ( -1.626 8.205 2.938) 8.866 11.399 ( -0.187 0.935 -0.860) 1.284 11.575 ( -0.362 7.987 -2.810) 8.475 11.694 ( -5.361 4.311 -1.736) 7.095 12.489 ( -0.121 1.068 0.860) 1.376 12.571 ( 0.455 -3.743 -0.066) 3.771 12.755 ( 1.176 2.155 -1.348) 2.801 12.792 ( 0.291 0.406 0.612) 0.790 13.464 ( -2.337 0.428 1.669) 2.903 13.623 ( -1.022 -6.392 2.334) 6.881 13.660 ( -2.513 1.654 -1.770) 3.491 13.836 ( -0.957 -5.284 -1.259) 5.515 14.939 ( 5.386 0.532 2.632) 6.018 15.009 ( 2.153 3.382 -2.575) 4.765 15.106 ( 0.957 -1.212 0.921) 1.798 15.192 ( 0.807 3.032 1.465) 3.463 15.295 ( 0.135 -1.003 -3.018) 3.183 15.355 ( 1.257 2.436 -0.319) 2.760 15.493 ( -3.521 2.785 -0.118) 4.491 15.620 ( 5.073 -3.004 -2.841) 6.544 15.689 ( -2.097 6.999 2.443) 7.704 15.791 ( 0.977 -0.718 -0.055) 1.214 15.824 ( -0.847 0.841 -0.537) 1.309 16.009 ( -7.031 -3.375 0.733) 7.833 16.577 ( 0.048 -2.262 0.463) 2.309 16.656 ( 2.546 -4.959 0.577) 5.604 16.746 ( 2.214 0.922 -1.249) 2.704 16.802 ( -0.471 -1.048 0.826) 1.415 17.602 ( -0.805 1.322 2.487) 2.929 17.656 ( -2.303 -1.338 1.218) 2.929 17.730 ( 0.912 0.935 -0.933) 1.605 17.769 ( -0.655 -0.763 -2.535) 2.727 22.003 ( 2.017 4.492 0.018) 4.924 22.091 ( 0.858 5.331 0.007) 5.400 22.172 ( -2.981 -3.239 -0.692) 4.456 22.268 ( -3.592 -2.688 0.607) 4.527 26.721 ( -1.584 1.046 0.851) 2.081 26.759 ( -0.383 -0.272 -0.639) 0.793 26.836 ( -2.203 0.676 0.875) 2.465 26.859 ( -0.989 -0.094 -0.666) 1.196 28.499 ( 1.024 1.670 0.512) 2.024 28.534 ( 0.095 0.430 0.176) 0.474 28.581 ( -0.474 1.878 -0.366) 1.971 28.612 ( -0.599 0.732 -0.761) 1.213 29.437 ( 0.774 3.928 -1.102) 4.152 29.549 ( 2.733 -1.525 1.610) 3.519 29.885 ( -5.054 3.252 -1.532) 6.202 30.054 ( -3.565 -4.043 -0.342) 5.402 30.757 ( 2.602 -0.495 -0.498) 2.695 30.778 ( -0.584 -0.041 2.221) 2.297 30.819 ( 1.194 -1.060 -1.492) 2.185 30.852 ( -0.536 -0.921 0.835) 1.354 31.182 ( 0.803 7.324 8.392) 11.167 31.463 ( 1.192 -5.278 7.077) 8.908 31.740 ( 10.622 2.263 -8.132) 13.567 31.909 ( 5.432 -4.994 -8.664) 11.381 32.628 ( 0.296 8.322 10.025) 13.032 32.888 ( 8.652 8.386 -1.876) 12.194 33.046 ( 10.096 -2.485 -2.690) 10.740 33.180 ( 3.834 -1.917 3.133) 5.309 33.499 ( -7.847 6.489 -3.384) 10.730 33.644 ( -11.293 4.557 1.217) 12.239 33.873 ( -2.193 -11.939 0.015) 12.139 34.237 ( -2.953 -21.564 -4.108) 22.150 ======================= Grid point 118 (50/88) ======================= q-point: (-0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( -0.369 1.457 5.146) 5.361 1.899 ( 0.787 -2.126 6.614) 6.992 1.956 ( 2.511 2.205 -1.578) 3.696 1.998 ( -1.625 2.034 2.828) 3.844 2.063 ( -3.081 -1.249 -1.847) 3.803 2.114 ( 3.323 -0.460 -0.314) 3.369 2.191 ( -0.760 1.967 0.851) 2.274 2.264 ( 1.043 2.648 -2.008) 3.483 2.517 ( 1.428 1.602 3.474) 4.083 2.584 ( -3.530 6.799 -0.350) 7.669 2.718 ( 0.030 -7.044 4.988) 8.631 3.015 ( -1.355 -10.915 -6.656) 12.855 3.375 ( -1.770 11.990 -1.890) 12.266 3.386 ( 0.162 12.552 -2.487) 12.797 3.721 ( 2.678 7.222 5.715) 9.591 3.749 ( -1.314 10.683 3.064) 11.191 4.042 ( 4.074 9.777 3.532) 11.165 4.118 ( -6.746 -1.642 0.422) 6.956 4.307 ( -1.807 -1.220 7.199) 7.521 4.363 ( -0.569 -4.012 9.259) 10.107 4.456 ( -2.352 -5.736 2.310) 6.615 4.615 ( 3.491 -8.538 2.414) 9.535 4.825 ( 0.249 -2.133 -1.087) 2.407 4.873 ( -5.149 -2.302 2.220) 6.061 5.047 ( 0.626 1.327 -3.732) 4.010 5.152 ( 0.785 -1.071 -2.992) 3.274 5.363 ( 5.374 0.737 -9.707) 11.120 5.411 ( 2.168 0.771 0.031) 2.301 5.437 ( 2.433 -0.483 -7.254) 7.666 5.534 ( -4.521 -2.059 -3.608) 6.140 5.793 ( -0.434 4.700 -3.677) 5.983 5.848 ( 3.192 4.174 -2.383) 5.770 5.886 ( 2.079 1.356 4.611) 5.237 6.179 ( -1.842 -3.351 8.449) 9.274 6.263 ( -0.735 3.162 -3.435) 4.726 6.372 ( -0.594 1.806 -1.029) 2.162 6.404 ( 1.284 -0.334 -0.028) 1.327 6.511 ( -0.855 -4.523 -1.794) 4.941 6.522 ( -3.291 -4.268 -0.192) 5.393 6.660 ( -0.402 -0.826 3.589) 3.705 6.763 ( 4.021 1.520 -2.173) 4.816 6.802 ( -0.220 -3.571 -5.949) 6.942 6.974 ( -5.315 0.893 -4.540) 7.047 7.031 ( 4.291 -1.395 -3.185) 5.523 7.314 ( -5.515 3.504 6.819) 9.444 7.395 ( 2.362 0.592 0.330) 2.458 7.471 ( 0.618 -3.363 8.011) 8.710 7.504 ( 1.599 -4.191 4.150) 6.111 7.717 ( -0.012 1.112 -2.965) 3.166 7.749 ( -3.024 -0.403 -4.918) 5.787 7.933 ( 5.143 -0.720 2.769) 5.885 8.005 ( -0.435 -3.951 -0.455) 4.001 9.193 ( -1.711 2.488 1.975) 3.608 9.235 ( 1.681 2.586 1.644) 3.495 9.273 ( 1.595 -0.071 -1.031) 1.901 9.323 ( -0.135 -1.757 -3.099) 3.565 9.434 ( -3.020 -4.079 5.434) 7.435 9.519 ( -3.746 -6.280 5.860) 9.371 9.759 ( 1.787 -2.169 -6.709) 7.274 9.923 ( 5.394 -7.441 -10.447) 13.914 10.080 ( -1.599 1.664 4.127) 4.729 10.125 ( -0.167 1.398 1.525) 2.076 10.234 ( -0.816 -1.304 2.061) 2.572 10.350 ( -0.476 -6.443 -1.999) 6.763 10.652 ( 0.903 2.256 3.400) 4.179 10.703 ( -1.973 -0.213 1.708) 2.618 10.936 ( 0.284 2.517 0.086) 2.534 11.031 ( 1.755 -3.408 -4.869) 6.197 11.203 ( 1.288 8.638 6.131) 10.671 11.412 ( 0.961 2.778 0.619) 3.004 11.552 ( 1.579 5.687 -4.808) 7.613 11.578 ( -3.644 5.535 -4.230) 7.862 12.498 ( 0.107 0.559 1.533) 1.635 12.561 ( -0.671 -3.000 -1.274) 3.328 12.772 ( 0.743 1.499 -0.211) 1.686 12.787 ( -0.405 1.051 -0.384) 1.190 13.467 ( 0.482 0.737 3.244) 3.361 13.607 ( -1.078 -0.681 -1.394) 1.889 13.649 ( 0.906 -4.165 2.320) 4.853 13.809 ( -0.057 -5.805 -2.768) 6.431 14.974 ( -4.066 2.437 -0.656) 4.785 15.032 ( 2.400 1.175 -1.281) 2.963 15.112 ( 1.756 2.732 1.528) 3.589 15.244 ( -2.445 2.117 0.213) 3.241 15.255 ( 1.242 -0.456 -1.541) 2.031 15.371 ( 0.360 4.341 -1.488) 4.603 15.469 ( 1.416 0.245 2.540) 2.919 15.642 ( -0.066 1.687 -1.871) 2.520 15.701 ( 1.288 1.266 0.928) 2.031 15.795 ( -0.648 -1.786 -0.771) 2.050 15.846 ( 1.094 -1.635 0.574) 2.049 15.895 ( -2.497 -2.347 -0.244) 3.435 16.592 ( 0.470 -1.695 1.484) 2.301 16.664 ( -0.743 -3.809 -1.154) 4.049 16.781 ( -1.739 -0.623 0.082) 1.849 16.789 ( 2.002 -1.191 0.054) 2.330 17.605 ( -1.284 0.739 2.545) 2.944 17.638 ( -0.325 -1.049 1.490) 1.851 17.732 ( 0.230 0.878 -1.433) 1.696 17.757 ( 1.385 0.154 -2.090) 2.512 22.040 ( -0.120 3.583 0.534) 3.624 22.073 ( -0.171 1.845 -0.751) 1.999 22.175 ( 1.649 -0.434 0.783) 1.876 22.211 ( -1.413 -1.880 -0.593) 2.425 26.709 ( -0.463 1.206 1.095) 1.693 26.756 ( 0.745 -0.537 -0.882) 1.273 26.816 ( -0.727 0.912 0.995) 1.534 26.851 ( 0.491 -0.315 -0.530) 0.788 28.507 ( -0.756 1.585 0.228) 1.771 28.525 ( -0.651 0.770 -0.510) 1.130 28.584 ( 0.659 1.828 0.206) 1.954 28.607 ( 0.666 0.750 -0.602) 1.170 29.456 ( 1.419 3.462 0.485) 3.773 29.531 ( -3.390 -0.163 -2.954) 4.499 29.876 ( 3.226 1.475 3.168) 4.756 29.998 ( -0.988 -3.485 -1.920) 4.100 30.772 ( -1.500 0.437 1.158) 1.944 30.795 ( 0.750 -0.704 -0.097) 1.033 30.831 ( 0.645 0.163 0.526) 0.848 30.865 ( 1.637 0.139 0.374) 1.685 31.252 ( -1.971 4.704 11.152) 12.263 31.494 ( -3.680 -5.276 6.467) 9.121 31.829 ( 6.171 1.151 -10.142) 11.928 31.918 ( 2.503 -2.573 -7.138) 7.990 32.653 ( -6.257 9.863 9.427) 15.009 32.986 ( 2.620 12.295 -3.500) 13.049 33.096 ( -7.585 -5.972 3.847) 10.392 33.285 ( 11.409 1.829 -4.449) 12.382 33.429 ( -9.980 3.110 1.960) 10.635 33.474 ( 4.958 7.016 -1.785) 8.775 33.872 ( 0.647 -15.052 2.265) 15.235 34.151 ( -0.553 -22.269 -7.705) 23.571 ======================= Grid point 120 (51/88) ======================= q-point: (-0.40 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( -7.034 0.689 4.379) 8.314 1.868 ( -6.267 -1.619 5.948) 8.791 1.887 ( -8.781 2.823 -3.461) 9.851 1.948 ( -2.774 1.866 -3.263) 4.672 2.047 ( -1.457 -0.954 4.025) 4.386 2.158 ( 1.039 0.086 0.823) 1.328 2.233 ( 6.846 0.219 -0.427) 6.863 2.312 ( 3.386 2.784 -0.164) 4.387 2.445 ( -5.411 0.187 1.644) 5.658 2.643 ( 4.017 5.015 1.391) 6.574 2.690 ( -5.617 -7.876 1.086) 9.734 2.975 ( 1.736 -8.108 -2.428) 8.640 3.342 ( -2.456 10.115 -1.259) 10.485 3.358 ( -0.255 15.674 -0.832) 15.699 3.727 ( -1.657 11.379 0.832) 11.529 3.784 ( -1.792 2.783 2.272) 4.015 3.998 ( -4.184 7.458 3.744) 9.335 4.188 ( -5.267 -3.653 0.567) 6.435 4.245 ( 3.827 2.166 8.442) 9.519 4.327 ( -8.085 -7.127 6.093) 12.380 4.509 ( -0.520 -2.900 1.054) 3.129 4.657 ( -3.095 -4.283 4.142) 6.714 4.757 ( -6.626 -1.556 1.439) 6.957 4.787 ( -1.975 -2.781 -0.167) 3.415 4.993 ( -3.670 2.655 -2.547) 5.197 5.138 ( 0.349 -0.817 -2.628) 2.774 5.256 ( -5.582 -0.524 -9.388) 10.935 5.331 ( -5.324 -3.189 -7.464) 9.707 5.420 ( -4.875 0.228 -2.088) 5.308 5.437 ( -2.336 -0.013 3.329) 4.067 5.684 ( -7.861 4.121 -4.055) 9.758 5.803 ( -5.436 0.302 -4.809) 7.264 5.968 ( -4.097 2.831 5.725) 7.588 6.073 ( -15.366 -1.345 6.592) 16.775 6.087 ( -9.580 7.477 -3.465) 12.637 6.293 ( -8.133 0.143 -0.128) 8.135 6.352 ( -3.876 -3.607 -2.133) 5.708 6.384 ( -0.371 0.472 -0.663) 0.894 6.587 ( -0.862 -0.232 -0.025) 0.893 6.676 ( -3.120 -3.613 -5.225) 7.078 6.721 ( 4.808 -5.050 0.221) 6.977 6.841 ( 1.626 -4.866 -0.124) 5.132 6.874 ( 0.904 5.095 -0.137) 5.176 7.142 ( 6.607 -3.185 -2.240) 7.669 7.281 ( -2.506 6.784 3.830) 8.184 7.457 ( 2.554 -2.429 0.603) 3.576 7.544 ( 2.659 -2.509 4.905) 6.117 7.583 ( 1.183 -3.244 5.148) 6.198 7.730 ( 2.137 0.163 -4.088) 4.616 7.757 ( 7.423 -1.577 -1.129) 7.672 8.011 ( 3.228 -0.400 -0.907) 3.377 8.081 ( 7.566 -3.458 -0.010) 8.319 9.173 ( -1.087 1.993 0.175) 2.277 9.250 ( -0.968 -1.608 -1.471) 2.384 9.289 ( 2.127 2.194 2.821) 4.159 9.378 ( 4.683 -0.932 -2.043) 5.193 9.411 ( -3.277 -3.867 6.481) 8.228 9.502 ( -2.646 -6.161 4.944) 8.331 9.739 ( 1.786 -0.912 -6.081) 6.403 9.931 ( 2.705 -8.832 -7.886) 12.146 10.079 ( -1.659 3.397 1.812) 4.192 10.114 ( -0.411 2.431 1.262) 2.770 10.263 ( 1.679 -3.038 1.995) 4.004 10.347 ( 1.717 -5.819 -1.783) 6.324 10.690 ( -0.448 2.111 2.469) 3.279 10.725 ( 3.447 0.211 2.575) 4.308 10.928 ( -0.619 2.140 -1.461) 2.664 11.037 ( 2.352 -3.809 -3.372) 5.604 11.305 ( 3.053 9.713 7.463) 12.623 11.420 ( 0.776 6.797 -3.496) 7.683 11.496 ( -0.674 5.510 -5.313) 7.684 11.575 ( 3.624 2.208 -1.401) 4.469 12.505 ( -1.191 -0.674 0.863) 1.618 12.548 ( 0.694 -2.214 0.005) 2.321 12.747 ( -1.775 2.055 -1.001) 2.894 12.800 ( 0.697 0.231 0.220) 0.767 13.528 ( 2.779 0.605 3.421) 4.449 13.595 ( 1.565 0.997 -2.087) 2.792 13.688 ( 0.834 -5.110 2.110) 5.591 13.799 ( 1.603 -6.712 -2.550) 7.357 14.885 ( -4.470 2.895 1.209) 5.461 15.042 ( -0.599 -2.031 0.312) 2.140 15.147 ( -0.156 1.106 1.206) 1.644 15.179 ( -2.039 2.015 -2.396) 3.736 15.251 ( -0.741 5.398 -0.726) 5.497 15.376 ( 0.822 2.925 -0.172) 3.043 15.497 ( -1.523 -1.248 0.297) 1.991 15.637 ( 1.008 -0.278 -3.083) 3.255 15.708 ( -1.982 0.266 0.891) 2.190 15.749 ( -1.251 0.557 0.847) 1.611 15.863 ( 3.205 0.753 -1.195) 3.502 15.962 ( 5.562 -2.833 1.574) 6.438 16.589 ( -2.268 -0.670 0.565) 2.432 16.654 ( 0.767 -1.687 0.713) 1.985 16.722 ( -3.842 -0.444 -1.135) 4.031 16.823 ( 1.000 -3.377 0.459) 3.551 17.601 ( -1.117 1.103 2.441) 2.902 17.660 ( 1.093 -1.836 1.449) 2.582 17.719 ( -0.079 1.843 -1.615) 2.452 17.783 ( 2.896 -0.475 -2.034) 3.571 21.999 ( -2.306 4.200 0.019) 4.792 22.095 ( -0.342 5.484 0.020) 5.495 22.165 ( 1.444 -3.271 -0.656) 3.635 22.271 ( 4.644 -2.498 0.557) 5.302 26.720 ( 0.863 1.076 0.704) 1.549 26.770 ( 1.118 -1.180 -0.540) 1.713 26.828 ( 1.534 1.570 0.647) 2.288 26.867 ( 1.546 -0.051 -0.391) 1.595 28.482 ( -1.612 1.339 0.320) 2.120 28.507 ( -0.990 0.396 0.156) 1.078 28.602 ( 1.048 1.845 -0.273) 2.140 28.623 ( 1.374 0.726 -0.643) 1.681 29.430 ( -3.768 3.188 -1.519) 5.164 29.500 ( 1.679 0.506 1.871) 2.565 29.977 ( 2.056 -0.341 -2.890) 3.563 30.007 ( 5.920 -1.700 1.188) 6.273 30.740 ( -2.192 -0.030 0.308) 2.214 30.780 ( -1.828 -1.190 0.112) 2.185 30.852 ( 0.304 1.998 1.509) 2.522 30.913 ( 3.518 0.979 -1.739) 4.045 31.281 ( -5.147 0.076 11.840) 12.911 31.428 ( -8.488 -4.733 6.206) 11.531 31.797 ( -0.674 3.161 -11.275) 11.729 31.901 ( 2.186 -1.768 -8.222) 8.689 32.550 ( -11.395 8.093 8.839) 16.537 32.873 ( -10.091 2.969 0.795) 10.549 33.004 ( -4.839 2.559 -1.853) 5.779 33.234 ( -10.547 0.186 1.757) 10.694 33.495 ( 12.644 2.483 -2.864) 13.201 33.638 ( 10.162 3.618 0.922) 10.826 33.911 ( 1.320 -15.329 1.911) 15.504 34.126 ( 4.974 -16.506 -6.188) 18.316 ======================= Grid point 121 (52/88) ======================= q-point: (-0.30 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( -16.484 6.135 7.531) 19.133 1.604 ( -14.279 5.379 -4.450) 15.894 1.800 ( -5.817 -4.907 4.292) 8.738 1.875 ( -1.520 -1.001 -6.656) 6.901 2.012 ( -3.381 4.496 3.768) 6.771 2.173 ( -3.141 -1.772 -1.072) 3.762 2.340 ( 7.160 -4.551 -3.558) 9.200 2.379 ( 2.158 1.208 4.509) 5.142 2.450 ( 4.134 -1.475 0.085) 4.390 2.562 ( -4.518 -7.153 -3.292) 9.078 2.698 ( -1.456 5.576 1.620) 5.986 2.947 ( -7.379 -4.555 -0.091) 8.672 3.279 ( -5.564 7.649 2.169) 9.704 3.315 ( -2.067 10.663 0.330) 10.866 3.675 ( -2.424 13.968 -2.206) 14.348 3.786 ( 1.256 0.377 3.676) 3.903 3.970 ( -4.921 1.367 5.776) 7.710 4.090 ( -1.491 2.781 -1.018) 3.315 4.180 ( -9.832 -5.692 7.540) 13.635 4.374 ( -7.923 -4.048 -2.594) 9.268 4.414 ( -0.210 4.584 6.580) 8.022 4.570 ( -7.782 -5.608 0.260) 9.596 4.650 ( -8.927 2.072 3.021) 9.650 4.732 ( -3.572 -0.156 3.134) 4.754 4.902 ( -3.448 3.514 -3.187) 5.864 5.013 ( -9.495 1.691 -8.526) 12.873 5.132 ( 0.928 -3.758 -3.796) 5.422 5.216 ( -4.626 -2.320 -2.314) 5.669 5.304 ( -5.837 0.732 3.978) 7.102 5.360 ( -7.242 -1.588 1.310) 7.529 5.419 ( -15.091 -2.280 -3.831) 15.735 5.600 ( -9.504 -3.510 -7.566) 12.645 5.711 ( -17.828 2.191 -0.292) 17.965 5.764 ( -19.170 -0.169 10.643) 21.927 5.935 ( -8.622 5.612 -2.173) 10.514 6.141 ( -8.589 -1.708 1.810) 8.942 6.269 ( -5.665 1.430 -1.270) 5.980 6.381 ( -4.584 -1.091 -3.417) 5.821 6.513 ( 1.826 4.843 -3.139) 6.053 6.571 ( 1.123 5.260 -6.496) 8.433 6.779 ( -4.594 2.990 0.207) 5.485 6.914 ( 3.679 -3.284 2.277) 5.432 6.981 ( 8.041 -3.610 3.750) 9.579 7.231 ( 4.035 -10.083 -2.665) 11.183 7.283 ( 2.017 4.092 0.587) 4.600 7.475 ( -0.566 -1.545 -0.217) 1.660 7.588 ( 0.808 -3.798 0.983) 4.005 7.730 ( 7.786 -5.218 4.087) 10.225 7.764 ( 4.047 2.675 1.551) 5.093 7.922 ( 8.155 -4.424 0.900) 9.321 8.126 ( 8.790 1.018 -0.258) 8.852 8.206 ( 7.226 -3.254 -3.751) 8.768 9.157 ( -0.045 0.373 -1.541) 1.586 9.215 ( -1.673 -1.077 -1.670) 2.598 9.359 ( 0.841 -2.103 2.374) 3.281 9.380 ( -0.247 0.944 4.476) 4.581 9.458 ( -0.602 -5.024 2.248) 5.537 9.513 ( 1.918 -3.852 2.914) 5.197 9.737 ( 1.942 -0.493 -3.322) 3.880 9.906 ( 0.180 -7.055 -3.127) 7.719 10.058 ( 0.306 5.366 -2.724) 6.026 10.145 ( 1.910 1.961 1.932) 3.351 10.330 ( 3.368 -2.470 1.145) 4.331 10.384 ( 3.821 -4.835 -0.926) 6.231 10.703 ( 0.491 3.979 0.282) 4.019 10.831 ( 4.830 -1.152 2.573) 5.592 10.899 ( -0.450 1.700 -1.686) 2.436 11.058 ( 1.770 -4.816 -1.991) 5.503 11.400 ( 2.188 9.198 -6.025) 11.212 11.413 ( 1.906 9.492 4.771) 10.793 11.467 ( 2.115 5.111 -5.278) 7.645 11.667 ( 4.590 1.107 4.081) 6.240 12.478 ( -1.733 -0.033 0.807) 1.913 12.571 ( 0.575 -3.420 0.427) 3.494 12.707 ( -1.167 2.659 -0.534) 2.953 12.804 ( -0.431 -0.813 -0.062) 0.923 13.609 ( 4.245 0.822 -1.228) 4.495 13.648 ( 4.421 1.597 0.992) 4.804 13.719 ( 2.200 -4.856 0.493) 5.354 13.835 ( 3.125 -7.476 -0.067) 8.103 14.833 ( -2.690 2.679 2.611) 4.608 15.002 ( -2.954 -3.663 -1.685) 4.998 15.100 ( -2.288 2.482 -0.711) 3.450 15.189 ( 0.785 0.915 2.051) 2.379 15.227 ( -0.885 2.836 -1.162) 3.190 15.362 ( -1.874 0.826 -1.253) 2.401 15.449 ( -2.519 -0.878 -0.356) 2.691 15.579 ( -4.043 -2.801 -0.376) 4.933 15.707 ( 0.338 4.482 0.389) 4.511 15.748 ( 0.449 1.407 -0.292) 1.505 15.938 ( 5.717 4.825 -2.604) 7.921 16.105 ( 7.015 -1.962 2.677) 7.760 16.544 ( -2.694 0.274 1.510) 3.100 16.604 ( -6.784 2.178 -1.508) 7.283 16.693 ( 1.881 -3.799 0.673) 4.293 16.831 ( -0.592 -4.472 0.489) 4.537 17.600 ( -1.052 1.508 2.212) 2.876 17.700 ( 1.854 -3.082 1.299) 3.824 17.711 ( 0.691 3.378 -1.480) 3.753 17.828 ( 3.564 -1.340 -2.426) 4.515 21.968 ( -0.893 6.393 0.022) 6.455 22.062 ( -1.694 6.490 -0.270) 6.713 22.235 ( 4.849 -2.631 0.156) 5.519 22.365 ( 4.690 -4.056 0.052) 6.201 26.749 ( 1.640 0.674 0.092) 1.776 26.784 ( 0.670 -1.017 -0.300) 1.254 26.890 ( 4.223 1.692 0.113) 4.551 26.910 ( 3.637 0.833 -0.003) 3.731 28.459 ( -1.143 0.854 0.774) 1.624 28.493 ( -0.831 -0.351 0.932) 1.297 28.614 ( 0.850 2.056 -0.992) 2.436 28.645 ( 1.364 0.779 -0.524) 1.656 29.377 ( -1.172 4.691 0.840) 4.908 29.546 ( 1.457 -2.665 0.908) 3.170 29.981 ( 1.453 2.982 -3.728) 4.990 30.122 ( 3.857 -3.555 -0.141) 5.248 30.702 ( -1.767 -0.767 0.128) 1.930 30.735 ( -2.642 -1.711 -0.213) 3.155 30.868 ( 0.341 3.383 1.237) 3.618 30.958 ( 2.859 1.760 -2.933) 4.458 31.219 ( -10.175 -2.603 6.445) 12.322 31.283 ( -11.186 -4.240 7.008) 13.865 31.622 ( -8.686 6.019 -8.578) 13.611 31.849 ( 0.109 -3.568 -11.441) 11.985 32.396 ( -10.655 4.207 7.178) 13.519 32.678 ( -12.122 -2.606 4.651) 13.243 32.840 ( -10.006 -0.491 -1.388) 10.114 33.027 ( -12.351 -4.180 0.408) 13.046 33.709 ( 10.597 1.767 -0.203) 10.746 33.865 ( 12.262 2.248 0.809) 12.492 33.973 ( 4.906 -8.565 -0.133) 9.871 34.241 ( 9.332 -10.434 -1.297) 14.058 ======================= Grid point 122 (53/88) ======================= q-point: (-0.20 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( -16.117 11.988 6.893) 21.237 1.356 ( -10.623 9.879 3.044) 14.822 1.694 ( -8.752 -2.962 4.089) 10.104 1.814 ( -0.342 -4.521 -2.614) 5.233 1.951 ( -4.654 5.713 -0.915) 7.425 2.101 ( -3.238 -3.689 -2.044) 5.317 2.348 ( -2.380 0.014 -4.133) 4.769 2.458 ( -0.295 -3.156 -1.537) 3.523 2.484 ( -5.023 1.203 2.524) 5.749 2.498 ( 0.556 -1.792 -3.284) 3.782 2.660 ( 0.161 -3.103 2.058) 3.727 2.689 ( -13.438 -3.013 -0.836) 13.796 3.159 ( -8.750 9.548 3.787) 13.494 3.309 ( -0.060 3.343 1.235) 3.564 3.596 ( -2.730 10.956 -3.819) 11.920 3.864 ( -2.063 3.606 3.930) 5.719 3.925 ( -1.024 -4.508 2.293) 5.160 4.022 ( -7.006 -3.223 -0.538) 7.730 4.098 ( -4.648 3.777 2.095) 6.345 4.220 ( -4.285 -3.907 6.191) 8.482 4.362 ( -7.942 -0.229 -1.879) 8.165 4.396 ( -6.671 -0.260 3.995) 7.780 4.539 ( -9.012 4.243 11.105) 14.918 4.643 ( -10.875 7.451 -5.878) 14.434 4.727 ( -4.662 2.540 3.730) 6.488 4.930 ( -3.059 -3.625 0.796) 4.810 4.989 ( -10.437 -4.468 -0.723) 11.376 5.037 ( -11.348 1.513 -2.748) 11.773 5.182 ( -5.205 -0.838 -6.944) 8.718 5.220 ( -5.678 -2.958 -2.629) 6.921 5.265 ( -5.619 1.904 -3.886) 7.092 5.351 ( -11.900 -5.717 0.877) 13.231 5.415 ( -4.838 1.116 4.005) 6.379 5.605 ( -7.122 -3.905 6.707) 10.533 5.722 ( -9.881 5.416 -2.654) 11.577 5.965 ( -11.746 -5.383 4.298) 13.617 6.120 ( -9.042 3.801 -1.043) 9.864 6.239 ( -4.106 -2.110 -0.879) 4.699 6.513 ( 3.669 7.578 -6.615) 10.707 6.614 ( -8.351 4.909 -1.567) 9.813 6.651 ( 4.997 7.371 -3.177) 9.455 7.011 ( 5.027 0.066 0.335) 5.038 7.114 ( 4.607 -4.557 -1.172) 6.585 7.239 ( -1.911 -9.978 1.755) 10.310 7.375 ( 6.348 -2.059 0.465) 6.690 7.423 ( -3.954 -1.474 -1.733) 4.562 7.670 ( 6.178 -0.672 0.085) 6.215 7.871 ( 5.042 3.520 3.664) 7.158 7.883 ( 4.276 -1.448 1.729) 4.834 8.052 ( 5.433 -5.191 -1.724) 7.709 8.214 ( 2.323 -2.477 -6.198) 7.067 8.428 ( 15.607 -7.977 2.380) 17.688 9.135 ( -1.819 -0.351 -0.298) 1.876 9.168 ( -0.588 -3.667 -2.503) 4.478 9.351 ( -1.313 -1.879 1.623) 2.809 9.439 ( -2.066 -4.250 2.641) 5.414 9.471 ( 4.172 1.629 2.141) 4.964 9.579 ( 1.885 -4.032 1.769) 4.789 9.749 ( 0.824 -1.037 -0.041) 1.325 9.905 ( 1.228 -5.688 -0.833) 5.878 10.041 ( 0.495 6.761 -3.301) 7.540 10.209 ( 2.183 4.551 2.141) 5.483 10.367 ( 1.681 -2.910 -2.215) 4.025 10.507 ( 6.089 -5.348 2.365) 8.442 10.722 ( 3.219 6.477 -1.660) 7.421 10.898 ( 2.511 0.954 -1.760) 3.212 10.946 ( 4.707 -2.133 2.219) 5.624 11.066 ( 0.238 -4.268 -0.731) 4.337 11.386 ( -0.646 8.912 -3.189) 9.487 11.458 ( 0.561 10.056 -0.388) 10.079 11.507 ( 6.427 6.518 -2.728) 9.551 11.796 ( 3.708 -2.839 5.706) 7.374 12.457 ( -1.470 0.929 1.052) 2.032 12.551 ( -2.423 -0.673 -0.222) 2.525 12.709 ( 1.128 -0.855 0.197) 1.430 12.779 ( -1.990 -1.400 -0.703) 2.533 13.680 ( 4.646 1.827 -2.899) 5.773 13.755 ( 6.271 1.012 1.505) 6.528 13.822 ( 8.053 -3.072 0.179) 8.621 13.904 ( 3.246 -7.011 0.922) 7.781 14.814 ( -1.088 0.647 1.308) 1.820 14.927 ( -1.875 -3.256 -4.143) 5.593 15.064 ( -1.053 1.714 -0.498) 2.072 15.168 ( -2.715 -2.496 -2.028) 4.209 15.223 ( -0.169 1.858 1.374) 2.317 15.328 ( -0.892 1.951 1.047) 2.387 15.391 ( -3.284 -1.798 -0.160) 3.748 15.504 ( -4.582 -0.910 2.480) 5.289 15.705 ( -0.235 4.151 -0.330) 4.171 15.763 ( 0.925 2.391 0.098) 2.565 16.030 ( 5.473 9.530 -1.794) 11.135 16.253 ( 5.799 -1.299 0.896) 6.009 16.433 ( -6.857 4.014 -2.662) 8.380 16.530 ( -1.703 -1.459 3.193) 3.902 16.706 ( -1.829 -3.311 -1.612) 4.111 16.838 ( 1.798 -6.246 1.611) 6.697 17.594 ( -1.134 2.405 1.598) 3.103 17.725 ( 2.124 4.669 -1.652) 5.388 17.752 ( 2.218 -4.398 1.417) 5.125 17.875 ( 3.329 -1.772 -2.657) 4.613 21.967 ( 0.769 8.321 0.090) 8.357 22.043 ( -0.264 7.276 0.517) 7.299 22.339 ( 5.332 -1.983 0.658) 5.727 22.448 ( 4.289 -4.061 -0.705) 5.949 26.781 ( 1.509 0.018 -0.159) 1.518 26.792 ( 0.535 -0.532 -0.317) 0.818 26.971 ( 4.593 3.497 0.051) 5.774 27.031 ( 8.357 1.412 0.147) 8.477 28.448 ( -0.737 0.545 0.630) 1.112 28.490 ( -0.616 -0.823 1.203) 1.582 28.633 ( 1.836 2.201 0.287) 2.880 28.667 ( 1.658 0.736 -0.906) 2.027 29.402 ( 2.507 3.572 2.095) 4.841 29.546 ( -0.496 -2.593 -5.253) 5.879 29.973 ( -0.563 2.196 -0.049) 2.268 30.117 ( -4.050 -3.976 -1.155) 5.792 30.673 ( -1.603 -0.799 0.304) 1.817 30.683 ( -2.389 -1.196 -0.390) 2.700 30.854 ( -5.566 3.322 0.459) 6.498 30.963 ( -2.125 4.192 -0.246) 4.707 31.020 ( -9.370 -3.134 -0.213) 9.882 31.148 ( -5.087 -3.732 2.639) 6.839 31.350 ( -14.245 3.313 -1.586) 14.711 31.668 ( -9.544 -9.234 -15.511) 20.419 32.263 ( -8.173 2.294 4.667) 9.687 32.496 ( -13.838 -7.928 12.836) 20.472 32.623 ( -11.092 -1.418 0.181) 11.183 32.805 ( -8.514 -6.472 -1.153) 10.757 33.895 ( 8.256 2.244 0.959) 8.609 34.072 ( 6.101 -7.394 2.703) 9.960 34.118 ( 11.189 6.882 -1.686) 13.244 34.436 ( 10.803 -8.049 -0.554) 13.484 ======================= Grid point 123 (54/88) ======================= q-point: (-0.10 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( -8.629 13.172 14.733) 21.564 1.280 ( -3.502 15.272 8.457) 17.805 1.561 ( -7.429 8.892 4.360) 12.380 1.805 ( -1.569 4.131 -3.933) 5.916 1.818 ( -5.777 -4.100 2.965) 7.680 2.005 ( -2.533 2.283 -2.686) 4.341 2.216 ( -7.069 2.905 -4.588) 8.914 2.237 ( -13.393 2.301 0.670) 13.605 2.395 ( -3.454 -4.139 -0.995) 5.482 2.483 ( 2.582 -2.852 -6.446) 7.507 2.591 ( -1.874 -7.978 3.203) 8.799 2.748 ( 3.784 -6.653 3.600) 8.458 3.057 ( -4.604 8.344 3.485) 10.147 3.305 ( -0.530 -2.699 0.735) 2.847 3.540 ( -0.130 10.930 -5.470) 12.223 3.743 ( -7.434 2.305 1.690) 7.965 3.803 ( -5.956 -2.974 -0.081) 6.658 3.985 ( -4.256 -7.858 -5.340) 10.410 4.058 ( -0.410 2.699 1.580) 3.154 4.164 ( -0.738 4.720 5.369) 7.187 4.276 ( -9.292 0.960 1.536) 9.467 4.302 ( -7.460 -0.929 4.998) 9.027 4.444 ( -0.909 -1.152 7.501) 7.643 4.544 ( -5.491 1.923 1.138) 5.928 4.585 ( -8.537 2.170 3.832) 9.606 4.707 ( -10.019 2.062 1.242) 10.304 4.881 ( -4.146 0.031 1.542) 4.424 4.895 ( -8.990 6.260 -7.794) 13.444 5.035 ( 1.797 1.987 -4.926) 5.607 5.101 ( -4.449 -5.379 1.871) 7.227 5.143 ( -4.088 -3.359 3.062) 6.112 5.165 ( -7.231 3.435 -1.230) 8.099 5.479 ( 2.114 -3.676 0.445) 4.264 5.534 ( -4.940 -2.408 5.139) 7.524 5.579 ( -3.977 -0.838 -1.274) 4.259 5.793 ( -8.759 -5.679 2.831) 10.816 5.972 ( -4.138 6.726 1.599) 8.057 6.215 ( 1.773 -2.606 -1.484) 3.484 6.462 ( -5.106 7.748 0.899) 9.323 6.545 ( 2.975 4.573 -2.401) 5.960 6.721 ( 4.335 3.173 -2.984) 6.146 7.052 ( 1.468 -6.720 -4.943) 8.470 7.174 ( 0.318 -1.740 0.783) 1.935 7.253 ( 1.245 -4.598 6.673) 8.199 7.336 ( -2.071 4.414 -1.638) 5.144 7.514 ( 6.903 -4.513 1.331) 8.354 7.755 ( 2.466 1.919 -0.313) 3.140 7.928 ( 1.292 3.572 -3.814) 5.383 7.976 ( 1.012 1.139 0.860) 1.750 8.118 ( 2.295 -5.507 -1.287) 6.103 8.193 ( 3.467 -4.050 -4.093) 6.721 8.689 ( 8.724 -15.329 -2.437) 17.805 9.108 ( -1.510 -2.285 2.464) 3.684 9.159 ( 1.088 -5.239 -0.364) 5.363 9.344 ( -0.331 -0.722 0.459) 0.918 9.413 ( -1.153 -4.700 -1.504) 5.067 9.571 ( 2.667 2.193 5.166) 6.214 9.609 ( 0.682 -1.401 0.364) 1.600 9.780 ( 1.216 -2.732 2.525) 3.914 9.915 ( 0.786 -5.883 -3.017) 6.658 10.036 ( 0.712 8.434 0.280) 8.468 10.225 ( -0.925 8.978 -1.175) 9.102 10.397 ( 2.392 -7.148 0.248) 7.542 10.560 ( -0.432 -4.945 -0.109) 4.965 10.837 ( 6.399 7.536 0.516) 9.900 10.951 ( 3.976 2.449 -0.793) 4.737 11.063 ( 0.300 -2.074 -0.252) 2.111 11.087 ( 9.350 -2.818 0.053) 9.765 11.315 ( -5.802 6.662 1.432) 8.950 11.416 ( -3.077 8.471 -3.855) 9.802 11.654 ( 8.766 8.329 -0.364) 12.097 11.873 ( 0.010 -7.417 4.065) 8.458 12.426 ( -1.845 3.331 -0.558) 3.849 12.509 ( -2.169 0.603 1.117) 2.513 12.716 ( -2.804 -1.222 -0.844) 3.173 12.730 ( 0.388 -3.038 -0.519) 3.107 13.742 ( 3.365 2.092 -0.917) 4.067 13.893 ( 5.158 1.605 -0.670) 5.444 13.964 ( 4.021 -5.939 0.183) 7.175 14.017 ( 9.993 -1.540 -0.090) 10.112 14.818 ( 0.602 -2.472 0.402) 2.576 14.872 ( 0.497 -3.763 -4.909) 6.206 15.060 ( 1.705 1.298 -1.418) 2.569 15.091 ( -1.963 -0.328 -2.654) 3.317 15.218 ( -1.595 2.492 -0.733) 3.048 15.321 ( -2.862 -4.008 2.282) 5.428 15.331 ( -1.695 2.739 1.185) 3.432 15.443 ( -4.611 -1.749 3.503) 6.049 15.704 ( 0.531 4.039 -0.680) 4.130 15.779 ( 0.722 2.670 -0.657) 2.843 16.102 ( 2.087 5.992 -0.666) 6.380 16.225 ( -4.981 -1.206 -0.465) 5.146 16.429 ( 4.480 5.318 -2.130) 7.272 16.547 ( 1.939 -3.375 2.752) 4.767 16.609 ( -3.647 -0.115 -4.843) 6.064 16.880 ( -0.311 -8.072 -0.693) 8.108 17.593 ( 0.078 3.976 1.442) 4.230 17.752 ( 2.366 4.371 -3.618) 6.147 17.804 ( 1.564 -4.203 2.447) 5.109 17.913 ( 2.678 -2.259 -2.073) 4.071 21.992 ( 1.284 9.494 0.347) 9.587 22.059 ( 1.052 6.153 0.628) 6.273 22.438 ( 3.788 -0.920 1.444) 4.157 22.525 ( 4.180 -2.702 -0.647) 5.019 26.794 ( 0.333 0.010 0.230) 0.405 26.811 ( 1.102 -0.499 0.016) 1.209 27.063 ( 4.066 5.632 0.584) 6.971 27.220 ( 10.984 0.213 -2.055) 11.177 28.442 ( -0.208 0.436 0.462) 0.668 28.484 ( -0.816 -0.867 0.737) 1.400 28.669 ( 0.993 2.363 -0.141) 2.567 28.721 ( 4.722 0.445 -0.842) 4.817 29.419 ( -3.884 2.326 -6.682) 8.071 29.521 ( 6.799 -1.081 1.505) 7.047 29.936 ( -7.259 -0.870 0.791) 7.354 29.991 ( -4.583 -2.255 1.161) 5.238 30.612 ( -3.986 1.043 -1.973) 4.568 30.657 ( -1.433 -0.953 1.746) 2.451 30.696 ( -6.636 1.489 1.068) 6.884 30.761 ( -11.734 -0.527 1.664) 11.863 30.989 ( -2.629 -1.202 -6.475) 7.091 31.078 ( -11.791 -3.602 0.020) 12.329 31.133 ( -1.224 0.761 0.684) 1.595 31.256 ( -15.814 -6.295 -2.702) 17.234 32.178 ( -4.630 2.368 5.781) 7.776 32.377 ( -10.299 -9.130 15.984) 21.093 32.466 ( -4.079 2.020 -2.078) 5.003 32.696 ( -2.640 -8.348 -0.655) 8.780 34.036 ( 5.090 2.985 1.387) 6.062 34.189 ( 3.316 -4.034 3.613) 6.350 34.282 ( 6.460 5.897 -1.987) 8.970 34.607 ( 7.460 -8.402 -3.293) 11.708 ======================= Grid point 124 (55/88) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( 0.405 -9.517 9.374) 13.364 1.436 ( 0.405 9.517 9.374) 13.364 1.635 ( -3.682 -12.521 7.731) 15.169 1.635 ( -3.682 12.521 7.731) 15.169 1.962 ( 3.502 -6.202 -1.875) 7.365 1.962 ( 3.502 6.202 -1.875) 7.365 2.159 ( -0.429 -5.954 -1.710) 6.209 2.159 ( -0.429 5.954 -1.710) 6.209 2.341 ( -0.420 -9.578 -2.568) 9.925 2.341 ( -0.420 9.578 -2.568) 9.925 2.615 ( 1.385 -8.406 1.555) 8.660 2.615 ( 1.385 8.406 1.555) 8.660 3.219 ( 0.501 -7.298 3.255) 8.007 3.219 ( 0.501 7.298 3.255) 8.007 3.660 ( -0.193 -8.492 -5.735) 10.249 3.660 ( -0.193 8.492 -5.735) 10.249 3.738 ( 0.055 -2.589 1.713) 3.105 3.738 ( 0.055 2.589 1.713) 3.105 4.129 ( -1.246 -1.012 1.978) 2.547 4.129 ( -1.246 1.012 1.978) 2.547 4.246 ( -1.383 -1.554 9.688) 9.909 4.246 ( -1.383 1.554 9.688) 9.909 4.459 ( 0.917 -1.030 -0.275) 1.406 4.459 ( 0.917 1.030 -0.275) 1.406 4.581 ( -6.207 -1.804 -0.211) 6.467 4.581 ( -6.207 1.804 -0.211) 6.467 4.884 ( 0.694 -7.502 -7.767) 10.821 4.884 ( 0.694 7.502 -7.767) 10.821 4.982 ( 2.802 -9.258 1.594) 9.803 4.982 ( 2.802 9.258 1.594) 9.803 5.244 ( 0.110 -8.861 -2.359) 9.170 5.244 ( 0.110 8.861 -2.359) 9.170 5.347 ( 0.376 -7.129 4.836) 8.623 5.347 ( 0.376 7.129 4.836) 8.623 5.588 ( -2.343 -3.718 -1.005) 4.508 5.588 ( -2.343 3.718 -1.005) 4.508 6.149 ( 0.308 -6.666 4.557) 8.080 6.149 ( 0.308 6.666 4.557) 8.080 6.555 ( 1.369 -3.311 -0.493) 3.616 6.555 ( 1.369 3.311 -0.493) 3.616 6.903 ( 3.976 -7.229 -1.327) 8.356 6.903 ( 3.976 7.229 -1.327) 8.356 7.197 ( -1.182 -3.117 1.627) 3.710 7.197 ( -1.182 3.117 1.627) 3.710 7.498 ( 1.369 -5.858 4.740) 7.659 7.498 ( 1.369 5.858 4.740) 7.659 7.844 ( -0.816 -3.774 -5.969) 7.109 7.844 ( -0.816 3.774 -5.969) 7.109 7.990 ( -1.990 -3.448 -4.052) 5.681 7.990 ( -1.990 3.448 -4.052) 5.681 8.385 ( 0.880 -13.169 -3.933) 13.772 8.385 ( 0.880 13.169 -3.933) 13.772 9.097 ( -0.062 -2.407 2.784) 3.681 9.097 ( -0.062 2.407 2.784) 3.681 9.324 ( -0.907 -0.689 -1.640) 1.996 9.324 ( -0.907 0.689 -1.640) 1.996 9.632 ( -0.943 -2.208 5.367) 5.880 9.632 ( -0.943 2.208 5.367) 5.880 9.830 ( 1.291 -3.378 -2.259) 4.264 9.830 ( 1.291 3.378 -2.259) 4.264 10.230 ( -0.394 -6.850 -0.496) 6.879 10.230 ( -0.394 6.850 -0.496) 6.879 10.406 ( 0.739 -5.635 -0.282) 5.690 10.406 ( 0.739 5.635 -0.282) 5.690 10.998 ( -0.815 -1.956 -0.510) 2.180 10.998 ( -0.815 1.956 -0.510) 2.180 11.153 ( 0.221 -0.845 -0.653) 1.090 11.153 ( 0.221 0.845 -0.653) 1.090 11.327 ( -0.704 -7.628 1.508) 7.807 11.327 ( -0.704 7.628 1.508) 7.807 11.844 ( 1.901 -1.608 0.616) 2.565 11.844 ( 1.901 1.608 0.616) 2.565 12.477 ( -0.398 -1.415 -0.608) 1.590 12.477 ( -0.398 1.415 -0.608) 1.590 12.677 ( -0.115 -0.988 -0.051) 0.996 12.677 ( -0.115 0.988 -0.051) 0.996 13.840 ( -0.148 -3.444 -0.449) 3.476 13.840 ( -0.148 3.444 -0.449) 3.476 14.071 ( 0.099 -3.473 0.314) 3.489 14.071 ( 0.099 3.473 0.314) 3.489 14.810 ( 1.814 -2.945 -1.446) 3.749 14.810 ( 1.814 2.945 -1.446) 3.749 15.128 ( 4.865 -1.421 0.225) 5.073 15.128 ( 4.865 1.421 0.225) 5.073 15.178 ( -6.639 -3.013 -1.840) 7.520 15.178 ( -6.639 3.013 -1.840) 7.520 15.363 ( -0.546 -0.501 2.989) 3.080 15.363 ( -0.546 0.501 2.989) 3.080 15.763 ( -0.511 -2.078 -2.121) 3.013 15.763 ( -0.511 2.078 -2.121) 3.013 16.144 ( 1.331 -0.918 -0.996) 1.898 16.144 ( 1.331 0.918 -0.996) 1.898 16.527 ( 0.884 -4.310 1.666) 4.704 16.527 ( 0.884 4.310 1.666) 4.704 16.659 ( -2.056 -4.939 -4.561) 7.030 16.659 ( -2.056 4.939 -4.561) 7.030 17.709 ( -0.478 -4.952 1.497) 5.195 17.709 ( -0.478 4.952 1.497) 5.195 17.871 ( 1.288 -3.915 -2.507) 4.824 17.871 ( 1.288 3.915 -2.507) 4.824 22.125 ( -0.078 -0.783 0.958) 1.240 22.125 ( -0.078 0.783 0.958) 1.240 22.516 ( 0.075 -2.532 0.540) 2.590 22.516 ( 0.075 2.532 0.540) 2.590 26.813 ( 0.243 -0.541 0.557) 0.813 26.813 ( 0.243 0.541 0.557) 0.813 27.223 ( -0.423 -5.394 -2.641) 6.021 27.223 ( -0.423 5.394 -2.641) 6.021 28.457 ( -0.348 -0.694 0.633) 1.002 28.457 ( -0.348 0.694 0.633) 1.002 28.715 ( -0.805 -1.759 -2.465) 3.133 28.715 ( -0.805 1.759 -2.465) 3.133 29.554 ( 4.700 -3.684 2.376) 6.427 29.554 ( 4.700 3.684 2.376) 6.427 29.868 ( -1.342 -2.813 -0.482) 3.153 29.868 ( -1.342 2.813 -0.482) 3.153 30.592 ( 0.456 -0.789 -0.744) 1.176 30.592 ( 0.456 0.789 -0.744) 1.176 30.674 ( 2.615 -2.253 3.270) 4.754 30.674 ( 2.615 2.253 3.270) 4.754 30.838 ( -2.762 -3.792 -2.057) 5.122 30.838 ( -2.762 3.792 -2.057) 5.122 31.157 ( -0.741 -0.291 1.556) 1.748 31.157 ( -0.741 0.291 1.556) 1.748 32.240 ( -1.946 -4.467 8.623) 9.905 32.240 ( -1.946 4.467 8.623) 9.905 32.508 ( 0.759 -6.412 -1.273) 6.581 32.508 ( 0.759 6.412 -1.273) 6.581 34.174 ( -0.585 -3.766 3.877) 5.437 34.174 ( -0.585 3.766 3.877) 5.437 34.469 ( 0.436 -8.222 -5.857) 10.104 34.469 ( 0.436 8.222 -5.857) 10.104 ======================= Grid point 126 (56/88) ======================= q-point: ( 0.10 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( -0.800 -8.699 4.420) 9.790 1.484 ( -0.800 8.699 4.420) 9.790 1.716 ( 3.418 -13.669 12.462) 18.810 1.716 ( 3.418 13.669 12.462) 18.810 1.991 ( -0.297 -3.650 -2.676) 4.535 1.991 ( -0.297 3.650 -2.676) 4.535 2.187 ( 4.864 -3.256 -7.958) 9.879 2.187 ( 4.864 3.256 -7.958) 9.879 2.388 ( 7.808 -8.946 -0.636) 11.891 2.388 ( 7.808 8.946 -0.636) 11.891 2.656 ( 1.612 -3.964 2.010) 4.728 2.656 ( 1.612 3.964 2.010) 4.728 3.262 ( 0.081 -4.943 3.694) 6.171 3.262 ( 0.081 4.943 3.694) 6.171 3.630 ( 3.664 -3.319 -6.539) 8.197 3.630 ( 3.664 3.319 -6.539) 8.197 3.820 ( 4.663 -1.731 3.468) 6.064 3.820 ( 4.663 1.731 3.468) 6.064 4.203 ( 3.641 -7.326 4.093) 9.148 4.203 ( 3.641 7.326 4.093) 9.148 4.340 ( 5.205 -2.252 6.393) 8.546 4.340 ( 5.205 2.252 6.393) 8.546 4.471 ( 3.008 -7.567 1.815) 8.342 4.471 ( 3.008 7.567 1.815) 8.342 4.584 ( 5.706 -7.309 -0.961) 9.323 4.584 ( 5.706 7.309 -0.961) 9.323 4.878 ( 3.307 -9.524 -6.598) 12.049 4.878 ( 3.307 9.524 -6.598) 12.049 5.064 ( 4.488 -0.978 -0.331) 4.605 5.064 ( 4.488 0.978 -0.331) 4.605 5.213 ( 1.041 -3.983 -1.474) 4.373 5.213 ( 1.041 3.983 -1.474) 4.373 5.450 ( 2.845 -1.854 4.013) 5.257 5.450 ( 2.845 1.854 4.013) 5.257 5.661 ( 12.338 -3.065 1.698) 12.825 5.661 ( 12.338 3.065 1.698) 12.825 6.151 ( -2.451 -3.332 2.080) 4.630 6.151 ( -2.451 3.332 2.080) 4.630 6.614 ( 4.128 -3.713 -1.484) 5.747 6.614 ( 4.128 3.713 -1.484) 5.747 6.946 ( 1.312 -4.419 -3.802) 5.975 6.946 ( 1.312 4.419 -3.802) 5.975 7.166 ( -2.594 -1.305 1.636) 3.333 7.166 ( -2.594 1.305 1.636) 3.333 7.536 ( -3.165 -5.348 7.304) 9.590 7.536 ( -3.165 5.348 7.304) 9.590 7.700 ( -5.743 -0.935 -9.654) 11.272 7.700 ( -5.743 0.935 -9.654) 11.272 7.954 ( -0.534 -8.656 0.701) 8.701 7.954 ( -0.534 8.656 0.701) 8.701 8.323 ( -3.664 -5.130 -4.036) 7.485 8.323 ( -3.664 5.130 -4.036) 7.485 9.124 ( 1.005 -2.827 1.069) 3.185 9.124 ( 1.005 2.827 1.069) 3.185 9.291 ( -1.417 -0.782 -0.096) 1.621 9.291 ( -1.417 0.782 -0.096) 1.621 9.630 ( -3.413 -2.868 4.556) 6.374 9.630 ( -3.413 2.868 4.556) 6.374 9.828 ( 0.610 -3.878 -2.560) 4.687 9.828 ( 0.610 3.878 -2.560) 4.687 10.197 ( -2.412 -4.340 -0.288) 4.974 10.197 ( -2.412 4.340 -0.288) 4.974 10.439 ( 2.045 -4.365 0.248) 4.827 10.439 ( 2.045 4.365 0.248) 4.827 10.947 ( -4.310 -1.528 -1.040) 4.690 10.947 ( -4.310 1.528 -1.040) 4.690 11.030 ( -6.794 -1.980 0.420) 7.089 11.030 ( -6.794 1.980 0.420) 7.089 11.435 ( 5.652 -9.113 0.397) 10.731 11.435 ( 5.652 9.113 0.397) 10.731 11.835 ( -2.834 -4.963 0.380) 5.728 11.835 ( -2.834 4.963 0.380) 5.728 12.475 ( 0.459 -2.095 -0.383) 2.179 12.475 ( 0.459 2.095 -0.383) 2.179 12.693 ( 1.731 -0.530 -0.044) 1.811 12.693 ( 1.731 0.530 -0.044) 1.811 13.801 ( -3.652 -1.115 -0.821) 3.905 13.801 ( -3.652 1.115 -0.821) 3.905 13.982 ( -8.054 -3.122 0.789) 8.674 13.982 ( -8.054 3.122 0.789) 8.674 14.810 ( -0.346 -3.632 -2.180) 4.250 14.810 ( -0.346 3.632 -2.180) 4.250 15.068 ( -1.203 -1.695 -2.255) 3.067 15.068 ( -1.203 1.695 -2.255) 3.067 15.244 ( 4.510 -3.302 2.018) 5.942 15.244 ( 4.510 3.302 2.018) 5.942 15.409 ( 2.865 -1.970 2.478) 4.270 15.409 ( 2.865 1.970 2.478) 4.270 15.747 ( 0.479 -1.152 -1.032) 1.619 15.747 ( 0.479 1.152 -1.032) 1.619 16.199 ( 3.378 -2.528 -1.270) 4.406 16.199 ( 3.378 2.528 -1.270) 4.406 16.536 ( -2.135 -3.054 0.223) 3.733 16.536 ( -2.135 3.054 0.223) 3.733 16.595 ( 0.821 -1.876 -1.335) 2.445 16.595 ( 0.821 1.876 -1.335) 2.445 17.701 ( -1.548 -4.011 1.570) 4.577 17.701 ( -1.548 4.011 1.570) 4.577 17.851 ( -1.063 -4.568 -2.669) 5.396 17.851 ( -1.063 4.568 -2.669) 5.396 22.125 ( -0.616 -1.121 0.809) 1.514 22.125 ( -0.616 1.121 0.809) 1.514 22.466 ( -5.060 -2.018 0.188) 5.451 22.466 ( -5.060 2.018 0.188) 5.451 26.814 ( -0.644 -0.250 0.258) 0.737 26.814 ( -0.644 0.250 0.258) 0.737 27.136 ( -5.843 -2.720 -1.098) 6.538 27.136 ( -5.843 2.720 -1.098) 6.538 28.459 ( 0.003 -0.804 0.794) 1.130 28.459 ( 0.003 0.804 0.794) 1.130 28.681 ( -0.868 -0.616 -0.713) 1.281 28.681 ( -0.868 0.616 -0.713) 1.281 29.527 ( -4.863 -6.176 -2.094) 8.134 29.527 ( -4.863 6.176 -2.094) 8.134 29.980 ( 8.716 -2.081 0.927) 9.009 29.980 ( 8.716 2.081 0.927) 9.009 30.650 ( 5.966 -2.113 -0.619) 6.359 30.650 ( 5.966 2.113 -0.619) 6.359 30.741 ( -0.705 -3.028 1.691) 3.539 30.741 ( -0.705 3.028 1.691) 3.539 30.989 ( 18.422 -5.037 -4.496) 19.620 30.989 ( 18.422 5.037 -4.496) 19.620 31.150 ( 0.884 -1.114 1.944) 2.409 31.150 ( 0.884 1.114 1.944) 2.409 32.310 ( 1.683 -5.078 9.104) 10.559 32.310 ( 1.683 5.078 9.104) 10.559 32.557 ( 5.737 -6.205 -1.472) 8.578 32.557 ( 5.737 6.205 -1.472) 8.578 34.139 ( -6.437 -3.936 3.904) 8.495 34.139 ( -6.437 3.936 3.904) 8.495 34.374 ( -4.872 -8.132 -5.205) 10.814 34.374 ( -4.872 8.132 -5.205) 10.814 ======================= Grid point 128 (57/88) ======================= q-point: ( 0.20 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( 3.748 -6.395 1.097) 7.493 1.529 ( 3.748 6.395 1.097) 7.493 1.875 ( -0.093 -8.267 7.818) 11.378 1.875 ( -0.093 8.267 7.818) 11.378 1.973 ( 3.233 -5.739 0.288) 6.593 1.973 ( 3.233 5.739 0.288) 6.593 2.167 ( 2.110 -3.710 -8.917) 9.886 2.167 ( 2.110 3.710 -8.917) 9.886 2.540 ( 4.178 -8.681 -0.803) 9.668 2.540 ( 4.178 8.681 -0.803) 9.668 2.728 ( 4.992 -0.941 1.188) 5.217 2.728 ( 4.992 0.941 1.188) 5.217 3.307 ( 4.311 -1.577 2.443) 5.200 3.307 ( 4.311 1.577 2.443) 5.200 3.694 ( 4.439 -3.861 -0.459) 5.901 3.694 ( 4.439 3.861 -0.459) 5.901 3.979 ( 8.563 -2.353 5.534) 10.463 3.979 ( 8.563 2.353 5.534) 10.463 4.218 ( -3.380 -12.511 -1.285) 13.023 4.218 ( -3.380 12.511 -1.285) 13.023 4.477 ( 2.743 -3.987 0.577) 4.874 4.477 ( 2.743 3.987 0.577) 4.874 4.628 ( 3.752 -5.227 9.001) 11.065 4.628 ( 3.752 5.227 9.001) 11.065 4.782 ( 15.210 -5.604 -2.435) 16.391 4.782 ( 15.210 5.604 -2.435) 16.391 4.916 ( 9.876 -4.210 -3.340) 11.243 4.916 ( 9.876 4.210 -3.340) 11.243 5.180 ( 8.344 -3.206 -2.976) 9.421 5.180 ( 8.344 3.206 -2.976) 9.421 5.253 ( 4.652 -6.135 -0.029) 7.700 5.253 ( 4.652 6.135 -0.029) 7.700 5.559 ( 7.121 -2.350 0.250) 7.503 5.559 ( 7.121 2.350 0.250) 7.503 6.004 ( 15.177 -0.986 5.861) 16.299 6.004 ( 15.177 0.986 5.861) 16.299 6.145 ( 4.592 -2.754 -1.716) 5.623 6.145 ( 4.592 2.754 -1.716) 5.623 6.636 ( -1.117 -2.172 -2.557) 3.537 6.636 ( -1.117 2.172 -2.557) 3.537 6.863 ( -3.670 -8.510 -7.611) 11.992 6.863 ( -3.670 8.510 -7.611) 11.992 7.155 ( -0.856 -6.720 2.840) 7.346 7.155 ( -0.856 6.720 2.840) 7.346 7.458 ( -5.502 -9.349 -3.035) 11.265 7.458 ( -5.502 9.349 -3.035) 11.265 7.569 ( -5.236 -3.100 3.890) 7.222 7.569 ( -5.236 3.100 3.890) 7.222 7.952 ( -1.804 -6.238 2.596) 6.994 7.952 ( -1.804 6.238 2.596) 6.994 8.196 ( -5.649 -5.662 -3.756) 8.837 8.196 ( -5.649 5.662 -3.756) 8.837 9.147 ( 1.429 -1.983 -1.189) 2.718 9.147 ( 1.429 1.983 -1.189) 2.718 9.279 ( -0.538 -1.629 1.781) 2.473 9.279 ( -0.538 1.629 1.781) 2.473 9.585 ( -4.808 -3.379 4.331) 7.300 9.585 ( -4.808 3.379 4.331) 7.300 9.815 ( 0.919 -4.889 -3.858) 6.296 9.815 ( 0.919 4.889 -3.858) 6.296 10.144 ( -2.902 -5.143 0.666) 5.943 10.144 ( -2.902 5.143 0.666) 5.943 10.456 ( -1.588 -5.432 1.406) 5.831 10.456 ( -1.588 5.432 1.406) 5.831 10.809 ( -6.328 -4.311 -3.136) 8.274 10.809 ( -6.328 4.311 -3.136) 8.274 10.979 ( -0.329 -2.426 1.125) 2.694 10.979 ( -0.329 2.426 1.125) 2.694 11.475 ( -1.518 -7.919 -1.624) 8.225 11.475 ( -1.518 7.919 -1.624) 8.225 11.780 ( -2.413 -7.401 1.049) 7.855 11.780 ( -2.413 7.401 1.049) 7.855 12.487 ( 0.753 -2.536 0.331) 2.666 12.487 ( 0.753 2.536 0.331) 2.666 12.732 ( 2.110 -0.677 -0.205) 2.226 12.732 ( 2.110 0.677 -0.205) 2.226 13.682 ( -7.025 -2.691 -1.006) 7.589 13.682 ( -7.025 2.691 -1.006) 7.589 13.856 ( -5.131 -3.178 1.093) 6.133 13.856 ( -5.131 3.178 1.093) 6.133 14.800 ( 1.465 -3.074 -0.898) 3.521 14.800 ( 1.465 3.074 -0.898) 3.521 15.080 ( 2.985 -1.835 -1.657) 3.876 15.080 ( 2.985 1.835 -1.657) 3.876 15.320 ( 2.657 -4.029 1.023) 4.933 15.320 ( 2.657 4.029 1.023) 4.933 15.485 ( 2.342 -3.439 1.671) 4.484 15.485 ( 2.342 3.439 1.671) 4.484 15.759 ( 1.075 -0.415 -0.497) 1.255 15.759 ( 1.075 0.415 -0.497) 1.255 16.175 ( -5.659 -3.005 0.323) 6.415 16.175 ( -5.659 3.005 0.323) 6.415 16.517 ( 1.848 -7.507 -2.025) 7.992 16.517 ( 1.848 7.507 -2.025) 7.992 16.654 ( 3.578 -5.864 2.139) 7.195 16.654 ( 3.578 5.864 2.139) 7.195 17.679 ( -2.053 -3.125 1.701) 4.108 17.679 ( -2.053 3.125 1.701) 4.108 17.801 ( -1.420 -4.434 -2.718) 5.391 17.801 ( -1.420 4.434 -2.718) 5.391 22.117 ( -0.732 -3.284 0.446) 3.394 22.117 ( -0.732 3.284 0.446) 3.394 22.353 ( -5.973 -3.076 -0.213) 6.722 22.353 ( -5.973 3.076 -0.213) 6.722 26.794 ( -1.276 -0.344 -0.246) 1.345 26.794 ( -1.276 0.344 -0.246) 1.345 27.010 ( -6.335 -1.182 0.185) 6.448 27.010 ( -6.335 1.182 0.185) 6.448 28.474 ( 0.757 -1.215 1.180) 1.855 28.474 ( 0.757 1.215 1.180) 1.855 28.661 ( -1.002 -0.642 -0.525) 1.301 28.661 ( -1.002 0.642 -0.525) 1.301 29.453 ( -0.785 -4.692 -1.023) 4.865 29.453 ( -0.785 4.692 -1.023) 4.865 30.095 ( 2.549 -0.818 -1.096) 2.893 30.095 ( 2.549 0.818 -1.096) 2.893 30.735 ( -0.014 -2.478 -0.443) 2.518 30.735 ( -0.014 2.478 -0.443) 2.518 30.767 ( 4.295 -1.927 0.491) 4.733 30.767 ( 4.295 1.927 0.491) 4.733 31.111 ( 2.521 -1.613 2.530) 3.919 31.111 ( 2.521 1.613 2.530) 3.919 31.417 ( 20.390 -8.717 -7.583) 23.436 31.417 ( 20.390 8.717 -7.583) 23.436 32.453 ( 5.134 -6.403 9.518) 12.567 32.453 ( 5.134 6.403 9.518) 12.567 32.705 ( 10.935 -6.568 -2.316) 12.964 32.705 ( 10.935 6.568 -2.316) 12.964 33.998 ( -10.103 -3.686 1.788) 10.902 33.998 ( -10.103 3.686 1.788) 10.902 34.218 ( -7.949 -9.129 -2.187) 12.301 34.218 ( -7.949 9.129 -2.187) 12.301 ======================= Grid point 130 (58/88) ======================= q-point: ( 0.30 -0.50 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( 6.438 -4.341 0.535) 7.783 1.642 ( 6.438 4.341 0.535) 7.783 1.902 ( 1.486 -2.474 3.791) 4.764 1.902 ( 1.486 2.474 3.791) 4.764 2.030 ( 2.775 -3.137 -5.220) 6.693 2.030 ( 2.775 3.137 -5.220) 6.693 2.181 ( 1.938 -5.875 1.663) 6.407 2.181 ( 1.938 5.875 1.663) 6.407 2.544 ( -1.415 -7.788 -0.184) 7.917 2.544 ( -1.415 7.788 -0.184) 7.917 2.831 ( 3.834 -6.683 0.855) 7.752 2.831 ( 3.834 6.683 0.855) 7.752 3.469 ( 8.050 -3.637 2.149) 9.090 3.469 ( 8.050 3.637 2.149) 9.090 3.746 ( 0.159 -7.228 0.288) 7.235 3.746 ( 0.159 7.228 0.288) 7.235 4.113 ( -2.810 -5.362 2.417) 6.518 4.113 ( -2.810 5.362 2.418) 6.518 4.214 ( 6.975 -4.932 4.568) 9.687 4.214 ( 6.975 4.932 4.568) 9.687 4.440 ( -2.221 -6.056 -4.551) 7.894 4.440 ( -2.221 6.056 -4.551) 7.894 4.726 ( 0.499 -5.300 7.651) 9.321 4.726 ( 0.499 5.300 7.651) 9.321 5.026 ( 12.171 -6.349 -2.492) 13.951 5.026 ( 12.171 6.349 -2.492) 13.951 5.135 ( 8.144 -0.326 -4.719) 9.418 5.135 ( 8.144 0.326 -4.719) 9.418 5.307 ( 9.639 -4.015 2.188) 10.669 5.307 ( 9.639 4.015 2.188) 10.669 5.464 ( 15.368 -3.751 -5.007) 16.593 5.464 ( 15.368 3.751 -5.007) 16.593 5.734 ( 11.315 -2.823 0.879) 11.695 5.734 ( 11.315 2.823 0.879) 11.695 6.178 ( 5.292 -2.846 2.581) 6.539 6.178 ( 5.292 2.846 2.581) 6.539 6.377 ( 11.052 -0.829 -2.684) 11.403 6.377 ( 11.052 0.829 -2.684) 11.403 6.550 ( -1.993 -5.547 -2.652) 6.463 6.550 ( -1.993 5.547 -2.652) 6.463 6.768 ( -1.706 -7.600 0.602) 7.812 6.768 ( -1.706 7.600 0.602) 7.812 7.140 ( -2.783 -7.541 -0.587) 8.059 7.140 ( -2.783 7.541 -0.587) 8.059 7.358 ( -1.111 -2.054 -4.639) 5.194 7.358 ( -1.111 2.054 -4.639) 5.194 7.503 ( -6.676 -7.725 7.514) 12.677 7.503 ( -6.676 7.725 7.514) 12.677 7.909 ( -4.685 -2.059 1.945) 5.474 7.909 ( -4.685 2.059 1.945) 5.474 8.061 ( -5.172 -5.420 -2.985) 8.064 8.061 ( -5.172 5.420 -2.985) 8.064 9.169 ( 2.216 -1.884 -1.239) 3.161 9.169 ( 2.216 1.884 -1.239) 3.161 9.291 ( -0.288 -1.522 2.336) 2.803 9.291 ( -0.288 1.522 2.336) 2.803 9.522 ( -5.257 -3.289 4.516) 7.671 9.522 ( -5.257 3.289 4.516) 7.671 9.802 ( 2.029 -4.749 -6.432) 8.248 9.802 ( 2.029 4.749 -6.432) 8.248 10.108 ( -1.839 -3.194 2.131) 4.257 10.108 ( -1.839 3.194 2.131) 4.257 10.389 ( -5.793 -4.495 0.832) 7.379 10.389 ( -5.793 4.495 0.832) 7.379 10.711 ( -1.811 -4.866 -1.048) 5.297 10.711 ( -1.811 4.866 -1.048) 5.297 10.990 ( 0.539 -1.648 -0.504) 1.805 10.990 ( 0.539 1.648 -0.504) 1.805 11.389 ( -4.047 -6.899 -2.115) 8.274 11.389 ( -4.047 6.899 -2.115) 8.274 11.752 ( -1.972 -5.893 0.463) 6.232 11.752 ( -1.972 5.893 0.463) 6.232 12.505 ( 0.655 -1.736 0.518) 1.927 12.505 ( 0.655 1.736 0.518) 1.927 12.766 ( 1.555 -0.384 -0.236) 1.619 12.766 ( 1.555 0.384 -0.236) 1.619 13.560 ( -4.776 -3.304 0.315) 5.816 13.560 ( -4.776 3.304 0.315) 5.816 13.785 ( -2.984 -3.554 -0.182) 4.644 13.785 ( -2.984 3.554 -0.182) 4.644 14.864 ( 4.700 -3.372 1.519) 5.980 14.864 ( 4.700 3.372 1.519) 5.980 15.128 ( 3.039 -4.152 -1.418) 5.337 15.128 ( 3.039 4.152 -1.418) 5.337 15.364 ( 0.866 -4.086 0.072) 4.177 15.364 ( 0.866 4.086 0.072) 4.177 15.522 ( 1.510 -2.763 -0.553) 3.197 15.522 ( 1.510 2.763 -0.553) 3.197 15.770 ( 0.603 -1.319 -0.892) 1.703 15.770 ( 0.603 1.319 -0.892) 1.703 16.038 ( -8.329 -6.102 1.879) 10.495 16.038 ( -8.329 6.102 1.879) 10.495 16.545 ( 1.960 -1.448 -1.129) 2.685 16.545 ( 1.960 1.448 -1.129) 2.685 16.735 ( 2.765 -2.966 1.388) 4.286 16.735 ( 2.765 2.966 1.388) 4.286 17.652 ( -2.158 -2.284 1.758) 3.601 17.652 ( -2.158 2.284 1.758) 3.601 17.763 ( -0.274 -2.688 -2.245) 3.513 17.763 ( -0.274 2.688 -2.245) 3.513 22.105 ( -0.599 -4.908 -0.113) 4.946 22.105 ( -0.599 4.908 -0.113) 4.946 22.252 ( -4.156 -4.521 0.037) 6.141 22.252 ( -4.156 4.521 0.037) 6.141 26.766 ( -1.346 -0.692 -0.120) 1.518 26.766 ( -1.346 0.692 -0.120) 1.518 26.908 ( -4.238 -0.642 0.146) 4.289 26.908 ( -4.238 0.642 0.146) 4.289 28.503 ( 1.190 -1.362 1.002) 2.068 28.503 ( 1.190 1.362 1.002) 2.068 28.633 ( -1.083 -0.860 -0.877) 1.637 28.633 ( -1.083 0.860 -0.877) 1.637 29.468 ( 1.746 -1.079 0.592) 2.136 29.468 ( 1.746 1.079 0.592) 2.136 30.064 ( -3.711 -2.461 -1.854) 4.824 30.064 ( -3.711 2.461 -1.854) 4.824 30.738 ( 1.093 -1.756 -0.923) 2.264 30.738 ( 1.093 1.756 -0.923) 2.264 30.812 ( 0.660 -1.299 0.896) 1.710 30.812 ( 0.660 1.299 0.896) 1.710 31.225 ( 4.279 -6.004 6.117) 9.579 31.225 ( 4.279 6.004 6.117) 9.579 31.676 ( 13.775 -7.329 -9.476) 18.255 31.676 ( 13.775 7.329 -9.476) 18.255 32.647 ( 6.761 -8.207 8.519) 13.625 32.647 ( 6.761 8.207 8.519) 13.625 32.920 ( 12.870 -7.299 -3.016) 15.099 32.920 ( 12.870 7.299 -3.016) 15.099 33.806 ( -9.825 -4.862 0.017) 10.962 33.806 ( -9.825 4.862 0.017) 10.962 34.036 ( -9.349 -11.013 -1.150) 14.492 34.036 ( -9.349 11.013 -1.150) 14.492 ======================= Grid point 132 (59/88) ======================= q-point: ( 0.40 -0.50 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( 3.575 -2.926 3.431) 5.755 1.754 ( 3.575 2.926 3.431) 5.755 1.980 ( 3.412 -5.721 -0.885) 6.720 1.980 ( 3.412 5.721 -0.885) 6.720 2.052 ( 1.891 -2.085 -0.131) 2.817 2.052 ( 1.891 2.085 -0.131) 2.817 2.236 ( 1.962 -5.439 2.705) 6.383 2.236 ( 1.962 5.439 2.705) 6.383 2.519 ( 0.186 -5.629 -0.596) 5.664 2.519 ( 0.186 5.629 -0.596) 5.664 2.860 ( -2.009 -10.234 0.380) 10.437 2.860 ( -2.009 10.234 0.380) 10.437 3.548 ( 0.260 -2.749 -1.459) 3.123 3.548 ( 0.260 2.749 -1.459) 3.123 3.770 ( 2.157 -4.611 2.831) 5.825 3.770 ( 2.157 4.611 2.831) 5.825 4.131 ( 1.467 -6.868 2.348) 7.405 4.131 ( 1.467 6.868 2.347) 7.405 4.303 ( -1.406 -5.242 5.021) 7.394 4.303 ( -1.406 5.242 5.021) 7.394 4.393 ( -0.570 -0.404 0.778) 1.045 4.393 ( -0.570 0.404 0.778) 1.045 4.807 ( 1.842 -3.537 3.986) 5.638 4.807 ( 1.842 3.537 3.986) 5.638 5.109 ( 2.652 -5.349 -5.311) 7.991 5.109 ( 2.652 5.349 -5.311) 7.991 5.275 ( 10.859 -2.020 -7.399) 13.295 5.275 ( 10.859 2.020 -7.399) 13.295 5.472 ( 4.272 -4.588 1.893) 6.549 5.472 ( 4.272 4.588 1.893) 6.549 5.715 ( 12.725 -1.839 -3.884) 13.431 5.715 ( 12.725 1.839 -3.884) 13.431 5.944 ( 6.322 -4.369 4.177) 8.747 5.944 ( 6.322 4.369 4.177) 8.747 6.314 ( 6.949 -3.715 0.299) 7.885 6.314 ( 6.949 3.715 0.299) 7.885 6.377 ( -1.202 -3.827 -3.863) 5.569 6.377 ( -1.202 3.827 -3.863) 5.569 6.617 ( 3.735 -1.997 2.804) 5.079 6.617 ( 3.735 1.997 2.804) 5.079 6.789 ( 0.716 -2.981 -1.886) 3.600 6.789 ( 0.716 2.981 -1.886) 3.600 7.038 ( -2.873 -7.468 -5.369) 9.636 7.038 ( -2.873 7.468 -5.369) 9.636 7.338 ( -1.111 -1.540 4.308) 4.708 7.338 ( -1.111 1.540 4.308) 4.708 7.446 ( -4.069 -4.200 4.837) 7.589 7.446 ( -4.069 4.200 4.837) 7.589 7.817 ( -4.570 -2.077 -1.073) 5.134 7.817 ( -4.570 2.077 -1.073) 5.134 7.961 ( -3.009 -1.284 -1.139) 3.464 7.961 ( -3.009 1.284 -1.139) 3.464 9.213 ( 2.610 -2.087 -0.228) 3.350 9.213 ( 2.610 2.087 -0.228) 3.350 9.291 ( -1.171 -1.660 0.894) 2.219 9.291 ( -1.171 1.660 0.894) 2.220 9.463 ( -4.705 -3.000 4.996) 7.490 9.463 ( -4.705 3.000 4.996) 7.490 9.789 ( 3.184 -4.267 -8.675) 10.179 9.789 ( 3.184 4.267 -8.675) 10.179 10.109 ( -0.635 -1.417 3.513) 3.841 10.109 ( -0.635 1.417 3.513) 3.841 10.289 ( -4.166 -3.618 0.025) 5.518 10.289 ( -4.166 3.618 0.025) 5.518 10.694 ( -1.049 -3.445 1.846) 4.047 10.694 ( -1.049 3.445 1.846) 4.047 10.985 ( 0.492 -2.478 -2.686) 3.687 10.985 ( 0.492 2.478 -2.686) 3.687 11.332 ( -0.934 -6.923 1.118) 7.075 11.332 ( -0.934 6.923 1.118) 7.075 11.700 ( -2.469 -3.526 -2.318) 4.889 11.700 ( -2.469 3.526 -2.318) 4.889 12.517 ( 0.256 -1.729 0.139) 1.753 12.517 ( 0.256 1.729 0.139) 1.753 12.787 ( 0.832 -0.969 -0.160) 1.287 12.787 ( 0.832 0.969 -0.160) 1.287 13.506 ( -1.989 -3.988 2.082) 4.919 13.506 ( -1.989 3.988 2.082) 4.919 13.733 ( -1.521 -4.543 -1.752) 5.101 13.733 ( -1.521 4.543 -1.752) 5.101 14.980 ( 4.635 -3.158 1.920) 5.928 14.980 ( 4.635 3.158 1.920) 5.928 15.167 ( 2.132 -4.457 -1.342) 5.119 15.167 ( 2.132 4.457 -1.342) 5.119 15.344 ( -2.305 -3.724 0.378) 4.396 15.344 ( -2.305 3.724 0.378) 4.396 15.552 ( 2.903 -3.534 -2.701) 5.312 15.552 ( 2.903 3.534 -2.701) 5.312 15.773 ( 0.349 -1.828 -0.480) 1.922 15.773 ( 0.349 1.828 -0.480) 1.922 15.907 ( -6.590 -6.316 1.911) 9.326 15.907 ( -6.590 6.316 1.911) 9.326 16.572 ( 1.322 -2.324 0.080) 2.675 16.572 ( 1.322 2.324 0.080) 2.675 16.775 ( 0.742 -1.549 0.326) 1.749 16.775 ( 0.742 1.549 0.326) 1.749 17.628 ( -1.688 -1.298 1.798) 2.787 17.628 ( -1.688 1.298 1.798) 2.787 17.751 ( 0.538 -0.994 -1.796) 2.122 17.751 ( 0.538 0.994 -1.796) 2.122 22.095 ( -0.246 -4.273 -0.281) 4.289 22.095 ( -0.246 4.273 -0.281) 4.289 22.194 ( -2.050 -4.520 0.218) 4.968 22.194 ( -2.050 4.520 0.218) 4.968 26.744 ( -0.990 -1.075 0.259) 1.484 26.744 ( -0.990 1.075 0.259) 1.484 26.852 ( -1.676 -0.655 -0.021) 1.800 26.852 ( -1.676 0.655 -0.021) 1.800 28.528 ( 0.727 -0.996 0.210) 1.251 28.528 ( 0.727 0.996 0.210) 1.251 28.611 ( -0.476 -0.836 -0.486) 1.077 28.611 ( -0.476 0.836 -0.486) 1.077 29.506 ( 1.491 -2.747 0.023) 3.126 29.506 ( 1.491 2.747 0.023) 3.126 29.965 ( -4.214 -4.421 -0.807) 6.160 29.965 ( -4.214 4.421 -0.807) 6.160 30.761 ( 1.718 -0.898 -0.444) 1.989 30.761 ( 1.718 0.898 -0.444) 1.989 30.828 ( -0.014 -1.324 1.775) 2.214 30.828 ( -0.014 1.324 1.775) 2.214 31.334 ( 0.915 -7.183 7.286) 10.272 31.334 ( 0.915 7.183 7.286) 10.272 31.811 ( 8.375 -4.429 -8.787) 12.922 31.811 ( 8.375 4.429 -8.787) 12.922 32.829 ( 4.189 -10.272 8.232) 13.814 32.829 ( 4.189 10.272 8.232) 13.814 33.115 ( 9.019 -5.647 -3.224) 11.119 33.115 ( 9.019 5.647 -3.224) 11.119 33.651 ( -4.755 -8.287 -1.290) 9.641 33.651 ( -4.755 8.287 -1.290) 9.641 33.846 ( -8.554 -14.603 -2.438) 17.098 33.846 ( -8.554 14.603 -2.438) 17.098 ======================= Grid point 134 (60/88) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( -0.312 -3.978 6.225) 7.394 1.834 ( -0.312 3.978 6.225) 7.394 2.015 ( 1.150 -2.686 -2.215) 3.666 2.015 ( 1.150 2.686 -2.215) 3.666 2.056 ( -0.573 -3.375 -0.249) 3.432 2.056 ( -0.573 3.375 -0.249) 3.432 2.263 ( -0.564 -2.857 1.592) 3.319 2.263 ( -0.564 2.857 1.592) 3.319 2.574 ( 1.911 -5.063 4.068) 6.770 2.574 ( 1.911 5.063 4.068) 6.770 2.778 ( -2.845 -11.418 -4.178) 12.487 2.778 ( -2.845 11.418 -4.178) 12.487 3.558 ( 1.015 -1.334 0.591) 1.778 3.558 ( 1.016 1.334 0.591) 1.778 3.788 ( -1.662 -4.446 1.018) 4.854 3.788 ( -1.662 4.446 1.018) 4.854 4.183 ( 1.143 -4.179 3.648) 5.664 4.183 ( 1.143 4.179 3.648) 5.664 4.301 ( -5.690 -1.918 5.718) 8.292 4.301 ( -5.690 1.918 5.718) 8.292 4.423 ( 3.549 -6.295 3.843) 8.185 4.423 ( 3.549 6.295 3.843) 8.185 4.811 ( -2.305 -1.940 -1.534) 3.381 4.811 ( -2.305 1.940 -1.534) 3.381 5.108 ( 0.550 -3.230 -2.596) 4.181 5.108 ( 0.550 3.230 -2.596) 4.181 5.384 ( 5.343 -1.547 -7.884) 9.648 5.384 ( 5.343 1.547 -7.884) 9.648 5.481 ( -3.102 -2.883 -1.542) 4.507 5.481 ( -3.102 2.883 -1.542) 4.507 5.839 ( 2.990 -1.503 -2.013) 3.905 5.839 ( 2.990 1.503 -2.013) 3.905 6.063 ( 0.716 -9.125 8.247) 12.321 6.063 ( 0.716 9.125 8.247) 12.321 6.315 ( -0.716 -3.670 -3.096) 4.855 6.315 ( -0.716 3.670 -3.096) 4.855 6.427 ( -0.198 -2.541 0.774) 2.664 6.427 ( -0.198 2.541 0.774) 2.664 6.598 ( -5.900 -6.280 -1.150) 8.693 6.598 ( -5.900 6.280 -1.150) 8.693 6.757 ( 2.352 -0.915 -6.866) 7.315 6.757 ( 2.352 0.915 -6.866) 7.315 7.003 ( 1.393 -1.988 -2.274) 3.326 7.003 ( 1.393 1.988 -2.274) 3.326 7.376 ( -0.580 -2.662 7.512) 7.991 7.376 ( -0.580 2.662 7.512) 7.991 7.446 ( 0.294 -1.845 4.879) 5.225 7.446 ( 0.294 1.845 4.879) 5.224 7.740 ( -0.723 -0.811 -3.758) 3.912 7.740 ( -0.723 0.811 -3.758) 3.912 7.942 ( 1.655 -1.875 -0.106) 2.504 7.942 ( 1.655 1.876 -0.106) 2.504 9.235 ( -1.126 -2.111 0.322) 2.414 9.235 ( -1.126 2.111 0.322) 2.414 9.291 ( 2.258 -2.411 -0.770) 3.392 9.291 ( 2.258 2.411 -0.770) 3.392 9.424 ( -3.842 -2.835 5.250) 7.097 9.424 ( -3.842 2.835 5.250) 7.097 9.785 ( 3.675 -4.770 -8.792) 10.656 9.785 ( 3.675 4.770 -8.792) 10.656 10.129 ( -0.636 -1.940 3.719) 4.243 10.129 ( -0.636 1.940 3.719) 4.243 10.238 ( -1.294 -3.226 0.198) 3.482 10.238 ( -1.294 3.226 0.198) 3.482 10.693 ( -0.469 -1.288 2.211) 2.601 10.693 ( -0.469 1.288 2.211) 2.601 10.977 ( 1.117 -1.946 -3.004) 3.749 10.977 ( 1.117 1.946 -3.004) 3.749 11.369 ( 1.981 -6.333 4.511) 8.024 11.369 ( 1.981 6.333 4.511) 8.024 11.628 ( -1.540 -1.053 -5.350) 5.666 11.628 ( -1.540 1.053 -5.350) 5.666 12.517 ( -0.188 -1.360 -0.055) 1.374 12.517 ( -0.188 1.360 -0.055) 1.374 12.794 ( 0.034 -0.418 -0.168) 0.452 12.794 ( 0.034 0.418 -0.168) 0.452 13.512 ( 0.120 -3.971 3.466) 5.272 13.512 ( 0.120 3.971 3.466) 5.272 13.699 ( -0.000 -4.643 -2.971) 5.512 13.699 ( -0.000 4.643 -2.971) 5.512 15.019 ( -1.752 -1.944 0.333) 2.638 15.019 ( -1.752 1.944 0.333) 2.638 15.189 ( 1.162 -4.060 -1.617) 4.522 15.189 ( 1.162 4.060 -1.617) 4.522 15.337 ( 0.522 -4.836 3.010) 5.720 15.337 ( 0.522 4.836 3.010) 5.720 15.573 ( 1.731 -6.815 -4.358) 8.272 15.573 ( 1.731 6.815 -4.358) 8.272 15.768 ( -1.062 -2.501 0.379) 2.743 15.768 ( -1.062 2.501 0.379) 2.743 15.838 ( -0.956 -2.086 1.236) 2.606 15.838 ( -0.956 2.086 1.236) 2.606 16.596 ( 0.632 -2.173 0.766) 2.389 16.596 ( 0.632 2.173 0.766) 2.389 16.775 ( -0.532 -0.148 -0.242) 0.602 16.775 ( -0.532 0.148 -0.242) 0.602 17.619 ( -0.791 -0.762 1.816) 2.123 17.619 ( -0.791 0.762 1.816) 2.123 17.751 ( 0.894 -0.732 -1.628) 1.996 17.751 ( 0.894 0.732 -1.628) 1.996 22.092 ( -0.020 -0.739 -0.102) 0.746 22.092 ( -0.020 0.739 -0.102) 0.746 22.175 ( 0.008 -0.989 0.073) 0.991 22.175 ( 0.008 0.989 0.073) 0.991 26.735 ( -0.131 -1.294 0.397) 1.360 26.735 ( -0.131 1.294 0.397) 1.360 26.838 ( 0.153 -0.982 -0.029) 0.994 26.838 ( 0.153 0.982 -0.029) 0.994 28.529 ( -0.691 -0.464 -0.184) 0.853 28.529 ( -0.691 0.464 -0.184) 0.853 28.609 ( 0.620 -0.585 -0.266) 0.893 28.609 ( 0.620 0.585 -0.266) 0.893 29.512 ( -0.579 -1.826 -0.772) 2.065 29.512 ( -0.579 1.826 -0.772) 2.065 29.926 ( 0.766 -3.257 0.104) 3.348 29.926 ( 0.766 3.257 0.104) 3.348 30.781 ( -0.232 -0.537 0.172) 0.610 30.781 ( -0.232 0.537 0.172) 0.610 30.849 ( 1.141 -1.285 1.798) 2.487 30.849 ( 1.141 1.285 1.798) 2.487 31.372 ( -3.359 -6.427 7.750) 10.614 31.372 ( -3.359 6.427 7.750) 10.614 31.867 ( 4.919 -2.339 -8.643) 10.216 31.867 ( 4.919 2.339 -8.643) 10.216 32.892 ( -6.075 -12.470 8.756) 16.403 32.892 ( -6.075 12.470 8.756) 16.403 33.208 ( 3.664 -8.113 -2.979) 9.387 33.208 ( 3.664 8.113 -2.979) 9.387 33.600 ( -2.293 -9.840 -1.048) 10.158 33.600 ( -2.293 9.840 -1.048) 10.158 33.720 ( 2.099 -16.904 -4.548) 17.631 33.720 ( 2.099 16.904 -4.548) 17.631 ======================= Grid point 138 (61/88) ======================= q-point: (-0.40 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( -7.258 -3.562 3.855) 8.957 1.799 ( -7.258 3.562 3.855) 8.957 1.961 ( -4.679 -2.872 -3.379) 6.447 1.961 ( -4.679 2.872 -3.379) 6.447 2.071 ( 1.315 -4.994 3.182) 6.066 2.071 ( 1.315 4.994 3.182) 6.066 2.313 ( 4.021 -3.264 2.400) 5.708 2.313 ( 4.021 3.264 2.400) 5.708 2.508 ( -8.134 -7.031 -1.659) 10.879 2.508 ( -8.134 7.031 -1.659) 10.879 2.796 ( 4.530 -8.620 0.568) 9.754 2.796 ( 4.530 8.620 0.568) 9.754 3.522 ( -4.906 -3.726 -1.462) 6.332 3.522 ( -4.906 3.726 -1.462) 6.332 3.803 ( 1.190 -3.696 2.703) 4.732 3.803 ( 1.191 3.696 2.704) 4.732 4.166 ( -9.001 -7.550 6.651) 13.501 4.166 ( -9.001 7.550 6.651) 13.501 4.229 ( -0.536 -6.313 -0.590) 6.363 4.229 ( -0.536 6.313 -0.590) 6.363 4.523 ( 1.038 -5.697 3.092) 6.565 4.523 ( 1.038 5.697 3.092) 6.565 4.752 ( -2.794 -0.859 2.064) 3.578 4.752 ( -2.794 0.859 2.064) 3.578 5.075 ( -1.597 -4.570 -3.431) 5.934 5.075 ( -1.597 4.570 -3.431) 5.934 5.272 ( -6.430 -2.090 -7.589) 10.165 5.272 ( -6.430 2.091 -7.589) 10.165 5.429 ( -3.784 -0.636 0.687) 3.898 5.429 ( -3.784 0.636 0.687) 3.898 5.767 ( -8.402 -3.456 -5.001) 10.371 5.767 ( -8.402 3.456 -5.001) 10.371 6.037 ( -13.346 -3.487 8.352) 16.125 6.037 ( -13.346 3.487 8.352) 16.125 6.231 ( -6.545 -5.702 -2.058) 8.921 6.231 ( -6.545 5.702 -2.058) 8.921 6.363 ( 0.271 -3.999 -2.274) 4.608 6.363 ( 0.271 3.999 -2.274) 4.608 6.587 ( 3.742 -3.389 -1.099) 5.167 6.587 ( 3.742 3.389 -1.099) 5.167 6.727 ( -0.201 -4.867 -0.514) 4.898 6.727 ( -0.201 4.867 -0.514) 4.898 7.021 ( 1.753 -7.877 -2.875) 8.566 7.021 ( 1.753 7.877 -2.875) 8.566 7.404 ( -0.897 -4.484 2.940) 5.436 7.404 ( -0.897 4.484 2.940) 5.436 7.526 ( 2.069 -1.591 5.945) 6.493 7.526 ( 2.069 1.591 5.945) 6.493 7.740 ( 3.971 -0.552 -3.227) 5.147 7.740 ( 3.971 0.552 -3.227) 5.147 8.020 ( 6.281 -1.763 -0.415) 6.536 8.020 ( 6.281 1.763 -0.415) 6.536 9.209 ( -1.026 -2.175 -0.771) 2.525 9.209 ( -1.026 2.175 -0.771) 2.525 9.340 ( 1.736 -3.037 1.894) 3.978 9.340 ( 1.736 3.037 1.894) 3.978 9.404 ( -1.715 -3.267 3.765) 5.272 9.404 ( -1.715 3.267 3.765) 5.272 9.782 ( 2.825 -5.093 -7.266) 9.312 9.782 ( 2.825 5.093 -7.266) 9.312 10.141 ( -0.765 -1.545 2.654) 3.165 10.141 ( -0.765 1.546 2.654) 3.165 10.243 ( 1.830 -2.913 0.112) 3.442 10.243 ( 1.830 2.913 0.112) 3.442 10.723 ( 1.699 -1.007 2.213) 2.966 10.723 ( 1.699 1.007 2.213) 2.966 10.972 ( 0.768 -2.565 -2.834) 3.899 10.972 ( 0.768 2.565 -2.834) 3.899 11.461 ( 3.000 -3.974 4.538) 6.737 11.461 ( 3.000 3.974 4.538) 6.737 11.567 ( 0.576 -1.749 -5.899) 6.180 11.567 ( 0.576 1.749 -5.899) 6.180 12.511 ( -0.398 -1.129 0.195) 1.213 12.511 ( -0.398 1.129 0.195) 1.213 12.786 ( -0.672 -1.559 -0.193) 1.709 12.786 ( -0.672 1.559 -0.193) 1.709 13.562 ( 1.967 -2.842 3.586) 4.980 13.562 ( 1.967 2.842 3.586) 4.980 13.686 ( 1.478 -3.965 -3.290) 5.360 13.686 ( 1.478 3.965 -3.290) 5.360 14.962 ( -4.022 -4.440 1.776) 6.249 14.962 ( -4.022 4.440 1.776) 6.249 15.184 ( -0.263 -1.508 -1.318) 2.020 15.184 ( -0.263 1.508 -1.318) 2.020 15.360 ( -0.979 -4.321 0.858) 4.512 15.360 ( -0.979 4.321 0.858) 4.512 15.544 ( -0.965 -5.580 -3.285) 6.547 15.544 ( -0.965 5.580 -3.285) 6.547 15.759 ( 0.255 -1.069 -0.159) 1.110 15.759 ( 0.255 1.069 -0.159) 1.110 15.892 ( 4.963 -2.959 1.815) 6.056 15.892 ( 4.963 2.959 1.815) 6.056 16.601 ( -0.613 -2.056 0.084) 2.148 16.601 ( -0.613 2.056 0.084) 2.148 16.757 ( -1.312 -2.870 0.328) 3.173 16.757 ( -1.312 2.870 0.328) 3.173 17.625 ( -0.074 -1.470 1.655) 2.215 17.625 ( -0.074 1.470 1.655) 2.215 17.759 ( 1.432 -1.762 -1.649) 2.806 17.759 ( 1.432 1.762 -1.649) 2.806 22.088 ( -0.161 -4.251 -0.257) 4.262 22.088 ( -0.161 4.251 -0.257) 4.262 22.199 ( 2.343 -4.472 0.194) 5.052 22.199 ( 2.343 4.472 0.194) 5.052 26.745 ( 0.798 -1.262 0.251) 1.514 26.745 ( 0.798 1.262 0.251) 1.514 26.856 ( 1.812 -1.031 -0.013) 2.085 26.856 ( 1.812 1.031 -0.013) 2.085 28.505 ( -1.558 -0.726 0.114) 1.722 28.505 ( -1.558 0.726 0.114) 1.722 28.626 ( 1.225 -0.492 -0.391) 1.377 28.626 ( 1.225 0.492 -0.391) 1.377 29.486 ( -1.307 -1.957 0.051) 2.353 29.486 ( -1.307 1.957 0.051) 2.353 29.981 ( 4.433 -0.786 -0.834) 4.579 29.981 ( 4.433 0.786 -0.834) 4.579 30.753 ( -2.309 -1.212 -0.033) 2.608 30.753 ( -2.309 1.212 -0.033) 2.608 30.897 ( 2.268 -2.052 0.857) 3.177 30.897 ( 2.268 2.052 0.857) 3.177 31.332 ( -7.611 -4.268 8.235) 11.998 31.332 ( -7.611 4.268 8.235) 11.998 31.857 ( 1.776 -2.618 -10.020) 10.508 31.857 ( 1.776 2.618 -10.020) 10.508 32.755 ( -13.908 -10.639 7.999) 19.251 32.755 ( -13.908 10.639 7.999) 19.251 33.153 ( -8.374 -7.826 -1.929) 11.623 33.153 ( -8.374 7.826 -1.929) 11.623 33.605 ( 6.537 -7.691 -1.755) 10.245 33.605 ( 6.537 7.691 -1.755) 10.245 33.836 ( 10.253 -9.881 -2.244) 14.415 33.836 ( 10.253 9.881 -2.244) 14.415 ======================= Grid point 140 (62/88) ======================= q-point: (-0.30 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( -8.614 -5.326 5.384) 11.470 1.675 ( -8.614 5.326 5.384) 11.470 1.775 ( -10.032 -7.737 -5.215) 13.700 1.775 ( -10.032 7.737 -5.215) 13.700 2.126 ( -0.503 -5.871 2.678) 6.473 2.126 ( -0.503 5.871 2.678) 6.473 2.338 ( -0.476 -5.350 -4.221) 6.831 2.338 ( -0.476 5.350 -4.221) 6.831 2.445 ( 3.344 -2.505 2.001) 4.633 2.445 ( 3.344 2.505 2.001) 4.633 2.828 ( -4.585 -6.597 0.664) 8.062 2.828 ( -4.585 6.597 0.664) 8.062 3.406 ( -5.919 -2.305 2.587) 6.858 3.406 ( -5.919 2.305 2.587) 6.858 3.798 ( -2.293 -0.051 -0.691) 2.395 3.798 ( -2.293 0.051 -0.691) 2.395 4.059 ( -7.400 -4.961 5.783) 10.622 4.059 ( -7.400 4.961 5.783) 10.622 4.216 ( -0.880 -9.634 -0.239) 9.677 4.216 ( -0.880 9.634 -0.239) 9.677 4.493 ( -4.526 -2.582 -0.397) 5.226 4.493 ( -4.526 2.582 -0.397) 5.226 4.704 ( -6.479 -2.723 6.339) 9.465 4.704 ( -6.479 2.723 6.339) 9.465 5.029 ( 0.491 -6.902 -3.657) 7.827 5.029 ( 0.491 6.902 -3.657) 7.827 5.096 ( -6.861 -6.533 -5.022) 10.723 5.096 ( -6.861 6.533 -5.022) 10.723 5.318 ( -8.448 -1.879 1.784) 8.837 5.318 ( -8.448 1.879 1.784) 8.837 5.479 ( -13.729 -6.276 -5.714) 16.140 5.479 ( -13.729 6.276 -5.714) 16.140 5.757 ( -18.116 -1.580 5.272) 18.933 5.757 ( -18.116 1.580 5.272) 18.933 6.064 ( -9.528 -5.736 -0.503) 11.133 6.064 ( -9.528 5.736 -0.503) 11.133 6.330 ( -5.113 -3.537 -2.693) 6.776 6.330 ( -5.113 3.537 -2.693) 6.776 6.594 ( 2.300 -2.219 -2.723) 4.198 6.594 ( 2.300 2.219 -2.723) 4.198 6.859 ( 7.335 -1.897 4.004) 8.570 6.859 ( 7.335 1.897 4.004) 8.570 7.011 ( 1.007 -8.949 -3.866) 9.800 7.011 ( 1.007 8.949 -3.866) 9.800 7.388 ( -1.763 -5.887 -0.464) 6.162 7.388 ( -1.763 5.887 -0.464) 6.162 7.620 ( 5.101 -5.085 3.007) 7.805 7.620 ( 5.101 5.085 3.007) 7.805 7.840 ( 6.006 -4.035 2.028) 7.514 7.840 ( 6.006 4.035 2.028) 7.514 8.148 ( 7.295 -1.816 -2.013) 7.783 8.148 ( 7.295 1.816 -2.013) 7.783 9.177 ( -1.516 -2.206 -1.494) 3.066 9.177 ( -1.516 2.206 -1.494) 3.066 9.369 ( -1.409 -3.278 3.886) 5.276 9.369 ( -1.409 3.278 3.886) 5.276 9.434 ( 2.161 -3.315 2.511) 4.687 9.434 ( 2.161 3.315 2.511) 4.687 9.779 ( 2.327 -4.541 -5.095) 7.211 9.779 ( 2.327 4.541 -5.095) 7.211 10.153 ( 0.543 -2.388 1.394) 2.818 10.153 ( 0.543 2.388 1.394) 2.818 10.309 ( 4.482 -1.408 0.296) 4.707 10.309 ( 4.482 1.408 0.296) 4.707 10.782 ( 2.845 -3.463 0.495) 4.509 10.782 ( 2.845 3.463 0.495) 4.509 10.963 ( 0.542 -4.268 -1.582) 4.584 10.963 ( 0.542 4.268 -1.582) 4.584 11.511 ( 3.489 -1.326 -6.457) 7.458 11.511 ( 3.489 1.326 -6.457) 7.458 11.593 ( 1.762 -7.247 4.926) 8.938 11.593 ( 1.762 7.247 4.926) 8.938 12.508 ( -0.176 -2.553 0.505) 2.608 12.508 ( -0.176 2.553 0.505) 2.608 12.765 ( -1.361 -2.797 -0.204) 3.117 12.765 ( -1.361 2.797 -0.204) 3.117 13.641 ( 4.289 -2.400 0.679) 4.961 13.641 ( 4.289 2.400 0.679) 4.961 13.712 ( 3.151 -4.427 -0.578) 5.465 13.712 ( 3.151 4.427 -0.578) 5.465 14.904 ( -3.600 -4.475 1.560) 5.951 14.904 ( -3.600 4.475 1.560) 5.951 15.160 ( -1.113 -2.697 -1.241) 3.170 15.160 ( -1.113 2.697 -1.241) 3.170 15.317 ( -2.868 -4.511 -0.281) 5.352 15.317 ( -2.868 4.511 -0.281) 5.352 15.499 ( -1.988 -4.599 -0.492) 5.034 15.499 ( -1.988 4.599 -0.492) 5.034 15.765 ( 0.521 -0.716 -0.621) 1.082 15.765 ( 0.521 0.716 -0.621) 1.082 16.038 ( 7.940 -4.620 1.649) 9.333 16.038 ( 7.940 4.620 1.649) 9.333 16.569 ( -2.268 -2.687 -1.392) 3.782 16.569 ( -2.268 2.687 -1.392) 3.782 16.732 ( -2.073 -4.874 1.691) 5.560 16.732 ( -2.073 4.874 1.691) 5.560 17.641 ( 0.327 -2.546 1.383) 2.916 17.641 ( 0.327 2.546 1.383) 2.916 17.781 ( 2.348 -3.169 -1.871) 4.365 17.781 ( 2.348 3.169 -1.871) 4.365 22.086 ( 0.188 -4.383 -0.109) 4.389 22.086 ( 0.188 4.383 -0.109) 4.389 22.264 ( 4.147 -5.329 0.029) 6.753 22.264 ( 4.147 5.329 0.029) 6.753 26.765 ( 1.123 -0.871 -0.108) 1.425 26.765 ( 1.123 0.871 -0.108) 1.425 26.914 ( 4.322 -0.502 0.135) 4.353 26.914 ( 4.322 0.502 0.135) 4.353 28.480 ( -1.303 -0.966 0.798) 1.808 28.480 ( -1.303 0.966 0.798) 1.808 28.645 ( 1.128 -0.838 -0.678) 1.560 28.645 ( 1.128 0.838 -0.678) 1.560 29.473 ( -0.248 -4.434 0.619) 4.484 29.473 ( -0.248 4.434 0.619) 4.484 30.048 ( 2.783 -3.542 -1.799) 4.851 30.048 ( 2.783 3.542 -1.799) 4.851 30.705 ( -2.317 -0.977 -0.134) 2.518 30.705 ( -2.317 0.977 -0.134) 2.518 30.941 ( 2.394 -3.139 -1.202) 4.126 30.941 ( 2.394 3.139 -1.202) 4.126 31.213 ( -11.575 -2.175 7.873) 14.167 31.213 ( -11.575 2.175 7.873) 14.167 31.752 ( -4.106 -5.984 -12.057) 14.073 31.752 ( -4.106 5.984 -12.057) 14.073 32.531 ( -15.995 -8.702 10.101) 20.823 32.531 ( -15.995 8.702 10.101) 20.823 32.916 ( -12.456 -5.919 -2.516) 14.018 32.916 ( -12.456 5.919 -2.516) 14.018 33.773 ( 10.145 -4.776 -0.170) 11.215 33.773 ( 10.145 4.776 -0.170) 11.215 34.044 ( 12.206 -8.376 -0.989) 14.836 34.044 ( 12.206 8.376 -0.989) 14.836 ======================= Grid point 142 (63/88) ======================= q-point: (-0.20 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( -11.404 -5.928 1.247) 12.913 1.493 ( -11.404 5.928 1.247) 12.913 1.641 ( -3.010 -8.362 4.455) 9.941 1.641 ( -3.010 8.362 4.455) 9.941 2.062 ( -3.873 -1.701 -3.162) 5.282 2.062 ( -3.873 1.701 -3.162) 5.282 2.380 ( 3.581 -4.929 -3.401) 6.977 2.380 ( 3.581 4.929 -3.401) 6.977 2.482 ( -2.036 -0.987 1.022) 2.483 2.482 ( -2.036 0.987 1.022) 2.483 2.642 ( -10.874 -2.475 0.631) 11.170 2.642 ( -10.874 2.475 0.631) 11.170 3.308 ( -7.277 -3.765 2.145) 8.469 3.308 ( -7.277 3.765 2.145) 8.469 3.776 ( 0.576 -8.496 -1.151) 8.593 3.776 ( 0.576 8.496 -1.151) 8.593 3.953 ( -8.239 -3.341 3.784) 9.662 3.953 ( -8.239 3.341 3.784) 9.662 4.165 ( -5.715 -1.300 4.160) 7.188 4.165 ( -5.715 1.300 4.160) 7.188 4.370 ( -4.661 -2.477 -0.385) 5.292 4.370 ( -4.661 2.477 -0.385) 5.292 4.661 ( -7.134 -7.187 7.759) 12.757 4.661 ( -7.134 7.187 7.759) 12.758 4.822 ( -10.461 -9.135 -4.257) 14.526 4.822 ( -10.461 9.135 -4.257) 14.526 5.036 ( -8.159 -5.722 -0.564) 9.982 5.036 ( -8.159 5.722 -0.564) 9.982 5.151 ( -0.182 -0.259 -5.334) 5.343 5.151 ( -0.182 0.259 -5.334) 5.343 5.279 ( -6.304 -1.586 -0.397) 6.513 5.279 ( -6.304 1.586 -0.397) 6.513 5.500 ( -10.608 -5.467 2.725) 12.241 5.500 ( -10.608 5.467 2.725) 12.241 5.852 ( -12.133 -6.008 2.225) 13.721 5.852 ( -12.133 6.008 2.225) 13.721 6.189 ( -6.573 -2.873 0.007) 7.174 6.189 ( -6.573 2.873 0.007) 7.174 6.619 ( 1.074 -2.713 -2.441) 3.804 6.619 ( 1.074 2.713 -2.441) 3.804 6.882 ( 0.082 -12.017 -8.289) 14.599 6.882 ( 0.082 12.017 -8.289) 14.599 7.094 ( 4.062 -3.042 5.183) 7.253 7.094 ( 4.062 3.042 5.183) 7.253 7.368 ( 1.646 -2.203 -1.625) 3.194 7.368 ( 1.646 2.203 -1.625) 3.194 7.759 ( 6.518 -7.191 0.210) 9.708 7.759 ( 6.518 7.191 0.210) 9.708 7.974 ( 4.715 -3.460 3.712) 6.927 7.974 ( 4.715 3.460 3.712) 6.927 8.259 ( 6.825 -6.991 -3.596) 10.410 8.259 ( 6.825 6.991 -3.596) 10.410 9.127 ( -2.294 -0.523 -0.882) 2.513 9.127 ( -2.294 0.523 -0.882) 2.513 9.361 ( -1.015 -2.680 0.653) 2.939 9.361 ( -1.015 2.680 0.653) 2.939 9.509 ( 2.024 -2.522 4.986) 5.943 9.509 ( 2.024 2.522 4.986) 5.943 9.793 ( 2.564 -4.693 -3.420) 6.348 9.793 ( 2.564 4.693 -3.420) 6.348 10.186 ( 1.984 -6.209 0.287) 6.524 10.186 ( 1.984 6.209 0.287) 6.524 10.394 ( 2.769 -5.044 0.924) 5.828 10.394 ( 2.769 5.044 0.924) 5.828 10.845 ( 5.519 -5.097 -2.127) 7.808 10.845 ( 5.519 5.097 -2.127) 7.808 10.979 ( 1.233 -3.961 0.691) 4.206 10.979 ( 1.233 3.961 0.691) 4.206 11.523 ( 0.987 -3.383 -3.392) 4.892 11.523 ( 0.987 3.383 -3.392) 4.892 11.665 ( 2.775 -8.262 2.842) 9.167 11.665 ( 2.775 8.262 2.842) 9.167 12.510 ( -0.179 -3.243 0.192) 3.253 12.510 ( -0.179 3.243 0.192) 3.253 12.731 ( -1.976 -2.635 -0.088) 3.294 12.731 ( -1.976 2.635 -0.088) 3.294 13.739 ( 6.462 -3.778 -2.829) 8.002 13.739 ( 6.462 3.778 -2.829) 8.002 13.803 ( 5.520 -2.671 2.913) 6.789 13.803 ( 5.520 2.671 2.913) 6.789 14.845 ( -2.583 -2.931 -1.101) 4.059 14.845 ( -2.583 2.931 -1.101) 4.059 15.121 ( -1.240 -2.531 -2.544) 3.797 15.121 ( -1.240 2.531 -2.544) 3.797 15.274 ( -2.121 -3.347 2.210) 4.537 15.274 ( -2.121 3.347 2.210) 4.537 15.455 ( -3.244 -3.766 1.536) 5.202 15.455 ( -3.244 3.766 1.536) 5.202 15.771 ( 0.624 -1.718 -0.421) 1.875 15.771 ( 0.624 1.718 -0.421) 1.875 16.184 ( 4.880 -5.634 0.175) 7.455 16.184 ( 4.880 5.634 0.175) 7.455 16.501 ( -2.557 -2.012 -1.342) 3.520 16.501 ( -2.557 2.012 -1.342) 3.520 16.713 ( -1.146 -4.448 1.610) 4.867 16.713 ( -1.146 4.448 1.610) 4.867 17.661 ( 0.754 -4.137 1.305) 4.403 17.661 ( 0.754 4.137 1.305) 4.403 17.816 ( 2.959 -3.889 -2.401) 5.444 17.816 ( 2.959 3.889 -2.401) 5.444 22.095 ( 0.605 -3.078 0.436) 3.167 22.095 ( 0.605 3.078 0.436) 3.167 22.356 ( 5.404 -4.094 -0.194) 6.782 22.356 ( 5.404 4.094 -0.194) 6.782 26.784 ( 0.990 -0.287 -0.220) 1.054 26.784 ( 0.990 0.287 -0.220) 1.054 27.027 ( 7.158 -1.722 0.159) 7.364 27.027 ( 7.158 1.722 0.159) 7.364 28.468 ( -0.844 -1.219 1.090) 1.840 28.468 ( -0.844 1.219 1.090) 1.840 28.666 ( 1.801 -0.866 -0.408) 2.040 28.666 ( 1.801 0.866 -0.408) 2.040 29.480 ( 0.738 -3.764 -1.099) 3.990 29.480 ( 0.738 3.764 -1.099) 3.990 30.035 ( -2.973 -3.802 -0.985) 4.926 30.035 ( -2.973 3.802 -0.985) 4.926 30.667 ( -1.585 -0.301 -0.002) 1.613 30.667 ( -1.585 0.301 -0.002) 1.613 30.937 ( -5.851 -4.487 -0.889) 7.427 30.937 ( -5.851 4.487 -0.889) 7.427 31.055 ( -5.268 -4.651 3.199) 7.721 31.055 ( -5.268 4.651 3.199) 7.721 31.479 ( -14.744 -8.535 -9.121) 19.324 31.479 ( -14.744 8.535 -9.121) 19.324 32.340 ( -12.236 -5.658 11.234) 17.548 32.340 ( -12.236 5.658 11.234) 17.548 32.682 ( -8.950 -5.179 -2.274) 10.587 32.682 ( -8.950 5.179 -2.274) 10.587 33.961 ( 8.519 -4.150 1.090) 9.538 33.961 ( 8.519 4.150 1.090) 9.538 34.270 ( 11.592 -7.964 -1.490) 14.142 34.270 ( 11.592 7.964 -1.490) 14.142 ======================= Grid point 144 (64/88) ======================= q-point: (-0.10 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( -2.968 -9.537 6.058) 11.681 1.379 ( -2.968 9.537 6.058) 11.681 1.649 ( -2.975 -9.534 8.115) 12.869 1.649 ( -2.975 9.534 8.115) 12.869 1.970 ( -2.128 -5.671 -3.386) 6.939 1.970 ( -2.128 5.671 -3.386) 6.939 2.252 ( -7.470 -2.537 -3.571) 8.660 2.252 ( -7.470 2.537 -3.571) 8.660 2.431 ( -5.234 -4.478 -2.217) 7.236 2.431 ( -5.234 4.478 -2.217) 7.236 2.570 ( 0.959 -8.384 3.002) 8.956 2.570 ( 0.959 8.384 3.002) 8.956 3.215 ( -2.597 -6.283 1.212) 6.906 3.215 ( -2.597 6.283 1.212) 6.906 3.723 ( -3.815 -5.455 -2.334) 7.054 3.723 ( -3.815 5.455 -2.334) 7.054 3.812 ( -6.431 -6.849 -0.583) 9.413 3.812 ( -6.431 6.849 -0.583) 9.413 4.147 ( -1.533 -5.377 7.558) 9.401 4.147 ( -1.533 5.377 7.558) 9.401 4.282 ( -8.823 -1.024 4.412) 9.917 4.282 ( -8.823 1.024 4.412) 9.917 4.505 ( -7.191 -4.743 1.941) 8.831 4.505 ( -7.191 4.743 1.941) 8.831 4.684 ( -3.685 -7.145 -1.371) 8.156 4.684 ( -3.685 7.145 -1.371) 8.156 4.931 ( -1.411 -5.870 -0.432) 6.053 4.931 ( -1.411 5.870 -0.432) 6.053 5.033 ( -6.854 -5.361 -4.581) 9.834 5.033 ( -6.854 5.361 -4.581) 9.834 5.228 ( 0.244 -5.858 -0.708) 5.906 5.228 ( 0.244 5.858 -0.708) 5.906 5.390 ( -3.764 -2.652 0.272) 4.612 5.390 ( -3.764 2.652 0.272) 4.612 5.682 ( -8.416 -5.342 4.611) 10.983 5.682 ( -8.416 5.342 4.611) 10.983 6.112 ( -1.047 -6.656 1.280) 6.858 6.112 ( -1.047 6.656 1.280) 6.858 6.582 ( -2.729 -2.591 -0.605) 3.811 6.582 ( -2.729 2.591 -0.605) 3.811 6.853 ( 3.407 -10.173 -5.642) 12.122 6.853 ( 3.407 10.173 -5.642) 12.122 7.177 ( 0.994 -2.252 3.655) 4.407 7.177 ( 0.994 2.252 3.655) 4.407 7.423 ( 3.576 -3.844 0.940) 5.333 7.423 ( 3.576 3.844 0.940) 5.333 7.846 ( 3.429 -5.910 -2.490) 7.273 7.846 ( 3.429 5.910 -2.490) 7.273 8.041 ( 0.713 -1.549 -1.748) 2.442 8.041 ( 0.713 1.549 -1.748) 2.442 8.353 ( 5.397 -16.275 -3.618) 17.524 8.353 ( 5.397 16.275 -3.618) 17.524 9.091 ( -1.461 -1.099 1.637) 2.454 9.091 ( -1.461 1.099 1.637) 2.454 9.346 ( -0.194 -1.460 -1.486) 2.092 9.346 ( -0.194 1.460 -1.486) 2.092 9.584 ( 0.964 -1.774 5.799) 6.140 9.584 ( 0.964 1.774 5.799) 6.140 9.815 ( 2.175 -4.413 -2.580) 5.555 9.815 ( 2.175 4.413 -2.580) 5.555 10.222 ( 1.469 -9.405 -0.394) 9.527 10.222 ( 1.469 9.405 -0.394) 9.527 10.412 ( -0.647 -8.852 0.088) 8.876 10.412 ( -0.647 8.852 0.088) 8.876 10.980 ( 6.226 -3.932 -0.835) 7.411 10.980 ( 6.226 3.932 -0.835) 7.411 11.018 ( 5.062 -0.725 0.310) 5.123 11.018 ( 5.062 0.725 0.310) 5.123 11.451 ( -7.235 -5.324 0.439) 8.994 11.451 ( -7.235 5.324 0.439) 8.994 11.762 ( 5.389 -3.753 0.366) 6.577 11.762 ( 5.389 3.753 0.366) 6.577 12.498 ( -0.930 -2.606 -0.491) 2.810 12.498 ( -0.930 2.606 -0.491) 2.810 12.695 ( -1.597 -0.367 0.069) 1.640 12.695 ( -1.597 0.367 0.069) 1.640 13.817 ( 3.102 -5.354 -1.002) 6.269 13.817 ( 3.102 5.354 -1.002) 6.269 13.968 ( 8.524 -2.993 0.969) 9.086 13.968 ( 8.524 2.993 0.969) 9.086 14.802 ( -0.117 -1.641 -2.026) 2.610 14.802 ( -0.117 1.641 -2.026) 2.610 15.087 ( 0.524 -0.602 -2.411) 2.540 15.087 ( 0.524 0.602 -2.411) 2.540 15.261 ( -1.794 -2.174 1.752) 3.319 15.261 ( -1.794 2.174 1.752) 3.319 15.395 ( -4.593 -2.953 2.719) 6.100 15.395 ( -4.593 2.953 2.719) 6.100 15.779 ( 0.473 -2.486 -0.991) 2.718 15.779 ( 0.473 2.486 -0.991) 2.718 16.184 ( -3.157 -2.856 -1.161) 4.413 16.184 ( -3.157 2.856 -1.161) 4.413 16.492 ( 1.581 -1.973 0.257) 2.541 16.492 ( 1.581 1.973 0.257) 2.541 16.705 ( -0.204 -8.090 -1.616) 8.252 16.705 ( -0.204 8.090 -1.616) 8.252 17.691 ( 0.888 -5.317 1.602) 5.624 17.691 ( 0.888 5.317 1.602) 5.624 17.851 ( 2.732 -3.863 -2.765) 5.480 17.851 ( 2.732 3.863 -2.765) 5.480 22.113 ( 0.527 -1.823 0.888) 2.095 22.113 ( 0.527 1.823 0.888) 2.095 22.459 ( 4.813 -3.031 0.182) 5.691 22.459 ( 4.813 3.031 0.182) 5.691 26.800 ( 0.733 -0.507 0.149) 0.904 26.800 ( 0.733 0.507 0.149) 0.904 27.170 ( 6.849 -4.401 -1.023) 8.205 27.170 ( 6.849 4.401 -1.023) 8.205 28.461 ( -0.655 -1.227 0.778) 1.593 28.461 ( -0.655 1.227 0.778) 1.593 28.710 ( 2.677 -1.444 -0.791) 3.143 28.710 ( 2.677 1.444 -0.791) 3.143 29.478 ( 1.275 -2.940 -2.127) 3.846 29.478 ( 1.275 2.940 -2.127) 3.846 29.946 ( -5.317 -1.751 1.167) 5.718 29.946 ( -5.317 1.751 1.167) 5.718 30.635 ( -2.154 -1.154 -0.178) 2.450 30.635 ( -2.154 1.154 -0.178) 2.450 30.733 ( -10.250 -1.921 0.807) 10.460 30.733 ( -10.250 1.921 0.807) 10.460 31.005 ( -7.544 -2.660 -3.730) 8.826 31.005 ( -7.544 2.660 -3.730) 8.826 31.171 ( -6.412 -2.746 1.410) 7.116 31.171 ( -6.412 2.746 1.410) 7.116 32.246 ( -6.425 -4.491 9.376) 12.221 32.246 ( -6.425 4.491 9.376) 12.221 32.546 ( -3.671 -5.873 -1.508) 7.088 32.546 ( -3.671 5.873 -1.508) 7.088 34.106 ( 4.761 -3.767 2.458) 6.549 34.106 ( 4.761 3.767 2.458) 6.549 34.436 ( 7.112 -8.233 -3.729) 11.501 34.436 ( 7.112 8.233 -3.729) 11.501 ======================= Grid point 168 (65/88) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( -10.175 0.000 -13.822) 17.163 0.919 ( 10.175 0.000 13.822) 17.163 1.221 ( 5.311 0.000 -15.328) 16.222 1.221 ( -5.311 0.000 15.328) 16.222 1.928 ( 7.090 0.000 -34.479) 35.201 1.928 ( -7.090 0.000 34.479) 35.201 2.191 ( 2.221 0.000 -0.948) 2.415 2.191 ( -2.221 0.000 0.948) 2.415 2.316 ( -0.180 0.000 -11.992) 11.994 2.316 ( 0.180 0.000 11.992) 11.994 2.748 ( -3.038 0.000 -3.494) 4.630 2.748 ( 3.038 0.000 3.494) 4.630 3.201 ( 1.303 0.000 -0.966) 1.622 3.201 ( -1.303 0.000 0.966) 1.622 3.604 ( -1.506 0.000 -10.656) 10.762 3.604 ( 1.506 0.000 10.656) 10.762 3.639 ( -4.073 0.000 0.439) 4.097 3.639 ( 4.073 0.000 -0.439) 4.097 4.095 ( -1.953 0.000 -4.614) 5.010 4.095 ( 1.953 0.000 4.614) 5.010 4.221 ( -3.647 0.000 -0.300) 3.659 4.221 ( 3.647 0.000 0.300) 3.659 4.420 ( -2.686 0.000 0.800) 2.802 4.420 ( 2.686 0.000 -0.800) 2.802 4.569 ( 0.342 0.000 -2.685) 2.707 4.569 ( -0.342 0.000 2.685) 2.707 4.902 ( 7.706 0.000 -6.591) 10.140 4.902 ( -7.706 0.000 6.591) 10.140 5.152 ( -3.800 0.000 -6.070) 7.161 5.152 ( 3.800 0.000 6.070) 7.161 5.191 ( 0.630 0.000 -5.248) 5.285 5.191 ( -0.630 0.000 5.248) 5.285 5.513 ( 1.887 0.000 -13.403) 13.535 5.513 ( -1.887 0.000 13.403) 13.535 5.786 ( 5.936 0.000 -11.512) 12.952 5.786 ( -5.936 0.000 11.512) 12.952 5.956 ( 0.177 0.000 -6.631) 6.634 5.956 ( -0.177 0.000 6.631) 6.634 6.570 ( -3.052 0.000 -2.165) 3.742 6.570 ( 3.052 0.000 2.165) 3.742 6.768 ( -9.051 0.000 -2.758) 9.462 6.768 ( 9.051 0.000 2.758) 9.462 7.112 ( -6.330 0.000 -0.055) 6.330 7.112 ( 6.330 0.000 0.055) 6.330 7.677 ( 7.067 0.000 -4.495) 8.375 7.677 ( -7.067 0.000 4.495) 8.375 7.724 ( -1.784 0.000 -3.232) 3.692 7.724 ( 1.784 0.000 3.232) 3.692 8.188 ( -2.487 0.000 -11.043) 11.320 8.188 ( 2.487 0.000 11.043) 11.320 9.055 ( 5.598 0.000 -2.342) 6.068 9.055 ( -5.598 0.000 2.342) 6.068 9.370 ( -1.242 0.000 -3.064) 3.306 9.370 ( 1.242 0.000 3.064) 3.306 9.532 ( 6.396 0.000 -3.790) 7.435 9.532 ( -6.396 0.000 3.790) 7.435 9.673 ( -2.887 0.000 -9.769) 10.186 9.673 ( 2.887 0.000 9.769) 10.186 9.907 ( -1.494 0.000 -6.638) 6.804 9.907 ( 1.494 0.000 6.638) 6.804 10.177 ( 2.480 0.000 -3.941) 4.657 10.177 ( -2.480 0.000 3.941) 4.657 10.534 ( -4.651 0.000 -0.419) 4.670 10.534 ( 4.651 0.000 0.419) 4.670 10.808 ( -2.883 0.000 0.258) 2.894 10.808 ( 2.883 0.000 -0.258) 2.894 10.951 ( -4.342 0.000 -0.148) 4.344 10.951 ( 4.342 0.000 0.148) 4.344 11.165 ( -4.463 0.000 -1.819) 4.819 11.165 ( 4.463 0.000 1.819) 4.819 11.389 ( 1.972 0.000 -5.908) 6.229 11.389 ( -1.972 0.000 5.908) 6.229 12.324 ( -2.871 0.000 -2.006) 3.502 12.324 ( 2.871 0.000 2.006) 3.502 12.775 ( 0.443 0.000 -2.787) 2.822 12.775 ( -0.443 0.000 2.787) 2.822 13.818 ( 0.721 0.000 -2.224) 2.338 13.818 ( -0.721 0.000 2.224) 2.338 14.137 ( 1.619 0.000 -2.588) 3.053 14.137 ( -1.619 0.000 2.588) 3.053 14.895 ( -5.114 0.000 -1.276) 5.271 14.895 ( 5.114 0.000 1.276) 5.271 15.103 ( -5.266 0.000 -1.988) 5.629 15.103 ( 5.266 0.000 1.988) 5.629 15.309 ( -5.778 0.000 -6.017) 8.342 15.309 ( 5.778 0.000 6.017) 8.342 15.463 ( -3.196 0.000 0.584) 3.249 15.463 ( 3.196 0.000 -0.584) 3.249 15.569 ( 0.136 0.000 -0.626) 0.641 15.569 ( -0.136 0.000 0.626) 0.641 16.139 ( -15.600 0.000 -6.625) 16.949 16.139 ( 15.600 0.000 6.625) 16.949 16.262 ( -11.581 0.000 -2.591) 11.868 16.262 ( 11.581 0.000 2.591) 11.868 16.830 ( 0.115 0.000 -5.833) 5.834 16.830 ( -0.115 0.000 5.833) 5.834 17.550 ( 0.406 0.000 -2.142) 2.180 17.550 ( -0.406 0.000 2.142) 2.180 17.976 ( -1.470 0.000 -0.387) 1.520 17.976 ( 1.470 0.000 0.387) 1.520 21.704 ( 1.001 0.000 -0.647) 1.192 21.704 ( -1.001 0.000 0.647) 1.192 22.561 ( 0.766 0.000 -2.336) 2.458 22.561 ( -0.766 0.000 2.336) 2.458 26.845 ( 0.334 0.000 -0.481) 0.586 26.845 ( -0.334 0.000 0.481) 0.586 27.140 ( 3.867 0.000 -5.558) 6.771 27.140 ( -3.867 0.000 5.558) 6.771 28.489 ( -2.640 0.000 -0.419) 2.673 28.489 ( 2.640 0.000 0.419) 2.673 28.611 ( 0.812 0.000 -1.436) 1.650 28.611 ( -0.812 0.000 1.436) 1.650 29.592 ( -24.011 0.000 -2.079) 24.101 29.592 ( 24.011 0.000 2.079) 24.101 29.910 ( -11.369 0.000 -4.034) 12.064 29.910 ( 11.369 0.000 4.034) 12.064 30.576 ( -3.020 0.000 -1.117) 3.220 30.576 ( 3.020 0.000 1.117) 3.220 30.672 ( -0.686 0.000 -1.210) 1.391 30.672 ( 0.686 0.000 1.210) 1.391 30.994 ( -7.699 0.000 -1.499) 7.844 30.994 ( 7.699 0.000 1.499) 7.844 31.180 ( -1.886 0.000 -1.094) 2.180 31.180 ( 1.886 0.000 1.094) 2.180 32.304 ( 0.326 0.000 -6.477) 6.486 32.304 ( -0.326 0.000 6.477) 6.486 32.979 ( 0.337 0.000 -2.157) 2.183 32.979 ( -0.337 0.000 2.157) 2.183 34.042 ( 0.560 0.000 -2.964) 3.016 34.042 ( -0.560 0.000 2.964) 3.016 34.774 ( -11.052 0.000 1.074) 11.104 34.774 ( 11.052 0.000 -1.074) 11.104 ======================= Grid point 170 (66/88) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( 14.059 0.000 -13.453) 19.459 1.277 ( 12.026 0.000 11.879) 16.904 1.370 ( 20.085 0.000 -25.419) 32.397 1.432 ( 11.280 0.000 14.245) 18.170 1.873 ( 16.586 0.000 -23.691) 28.920 2.075 ( -5.371 0.000 29.160) 29.651 2.198 ( -0.664 0.000 -9.166) 9.190 2.226 ( 3.247 0.000 4.805) 5.799 2.307 ( 10.509 0.000 -5.793) 12.000 2.424 ( 3.451 0.000 7.619) 8.364 2.650 ( -5.048 0.000 -2.697) 5.723 2.836 ( 3.270 0.000 2.808) 4.310 3.145 ( -5.221 0.000 1.066) 5.329 3.153 ( -4.336 0.000 -2.133) 4.832 3.456 ( -2.997 0.000 -13.214) 13.549 3.645 ( 3.570 0.000 3.643) 5.100 3.742 ( 5.059 0.000 8.185) 9.622 3.778 ( 8.661 0.000 -0.673) 8.687 4.095 ( 5.966 0.000 -2.986) 6.672 4.211 ( 6.062 0.000 3.668) 7.086 4.351 ( -3.420 0.000 3.181) 4.671 4.373 ( 16.584 0.000 -0.848) 16.606 4.457 ( 16.835 0.000 -2.000) 16.953 4.520 ( 5.939 0.000 -1.936) 6.247 4.619 ( 6.021 0.000 -2.128) 6.386 4.648 ( -2.922 0.000 1.695) 3.378 4.748 ( 0.530 0.000 8.170) 8.188 4.831 ( 0.938 0.000 -4.351) 4.451 5.118 ( -7.262 0.000 10.019) 12.374 5.148 ( 5.570 0.000 -1.675) 5.817 5.236 ( 2.078 0.000 -7.891) 8.160 5.426 ( 12.714 0.000 -3.377) 13.155 5.529 ( 9.339 0.000 -5.122) 10.651 5.578 ( -3.655 0.000 10.962) 11.555 5.802 ( 5.283 0.000 -15.103) 16.001 5.822 ( 1.662 0.000 7.416) 7.600 5.960 ( 7.360 0.000 -3.588) 8.188 5.999 ( -1.256 0.000 5.299) 5.446 6.468 ( -4.502 0.000 -3.868) 5.935 6.614 ( -1.390 0.000 -0.177) 1.401 6.712 ( 4.839 0.000 7.606) 9.015 6.777 ( -9.267 0.000 -5.730) 10.895 7.092 ( 4.272 0.000 6.073) 7.425 7.150 ( 0.194 0.000 -5.832) 5.835 7.584 ( -0.773 0.000 -0.601) 0.979 7.682 ( -2.493 0.000 -0.942) 2.665 7.689 ( -0.747 0.000 -2.870) 2.966 7.838 ( 3.376 0.000 3.679) 4.994 8.056 ( -5.337 0.000 1.259) 5.484 8.261 ( -4.980 0.000 10.611) 11.722 8.749 ( -22.740 0.000 -9.584) 24.677 9.045 ( -4.186 0.000 1.681) 4.511 9.294 ( -5.790 0.000 -3.770) 6.910 9.345 ( -6.249 0.000 2.907) 6.893 9.467 ( -7.724 0.000 -6.905) 10.360 9.495 ( -0.318 0.000 2.963) 2.980 9.616 ( 4.304 0.000 -7.927) 9.020 9.730 ( -4.700 0.000 0.592) 4.737 9.770 ( -2.675 0.000 6.070) 6.634 9.800 ( -4.370 0.000 -0.757) 4.435 10.158 ( -2.505 0.000 3.320) 4.159 10.198 ( 2.928 0.000 -6.458) 7.090 10.505 ( -0.755 0.000 0.571) 0.946 10.541 ( -8.081 0.000 4.090) 9.057 10.849 ( -5.699 0.000 1.064) 5.797 10.855 ( 3.204 0.000 0.089) 3.206 10.897 ( 4.924 0.000 -2.216) 5.400 11.037 ( 0.325 0.000 4.476) 4.488 11.121 ( -0.256 0.000 1.442) 1.464 11.248 ( 0.972 0.000 -1.853) 2.092 11.371 ( 2.382 0.000 -7.016) 7.409 11.475 ( 4.768 0.000 12.270) 13.164 12.339 ( 5.010 0.000 -0.164) 5.012 12.442 ( 5.342 0.000 3.324) 6.292 12.761 ( 0.385 0.000 -1.481) 1.530 12.778 ( -1.346 0.000 1.898) 2.326 13.769 ( -4.044 0.000 -2.334) 4.669 13.793 ( -3.476 0.000 2.149) 4.087 14.083 ( -4.732 0.000 2.774) 5.485 14.093 ( -3.209 0.000 -2.623) 4.144 14.877 ( 2.992 0.000 2.543) 3.927 14.950 ( -5.815 0.000 -3.559) 6.818 15.041 ( 3.248 0.000 0.540) 3.293 15.181 ( 0.377 0.000 -0.172) 0.415 15.208 ( 2.156 0.000 0.140) 2.160 15.380 ( -5.810 0.000 -2.552) 6.345 15.421 ( 3.224 0.000 -0.421) 3.252 15.506 ( 1.848 0.000 -1.884) 2.639 15.575 ( 0.005 0.000 0.531) 0.531 15.576 ( 0.417 0.000 0.717) 0.829 15.752 ( -9.042 0.000 -13.328) 16.106 16.150 ( -0.997 0.000 3.494) 3.634 16.375 ( 7.525 0.000 -1.780) 7.733 16.545 ( 7.064 0.000 9.093) 11.514 16.796 ( 2.477 0.000 -3.918) 4.636 16.856 ( -1.678 0.000 4.565) 4.864 17.558 ( 2.118 0.000 -1.454) 2.570 17.565 ( -0.168 0.000 2.445) 2.450 17.918 ( -3.743 0.000 -0.553) 3.784 17.976 ( -1.353 0.000 -0.670) 1.510 21.713 ( 1.125 0.000 1.241) 1.675 21.732 ( 1.804 0.000 -0.376) 1.843 22.528 ( -2.052 0.000 -2.429) 3.179 22.538 ( -3.154 0.000 2.337) 3.926 26.830 ( -1.564 0.000 0.634) 1.688 26.832 ( -1.105 0.000 -0.655) 1.285 26.999 ( -8.943 0.000 -2.657) 9.329 27.080 ( -3.939 0.000 -4.239) 5.787 28.447 ( -1.353 0.000 0.636) 1.496 28.503 ( -0.383 0.000 -1.164) 1.225 28.613 ( -1.175 0.000 2.198) 2.493 28.650 ( 1.257 0.000 0.923) 1.559 29.261 ( -3.943 0.000 -0.777) 4.019 29.639 ( -10.390 0.000 -6.007) 12.002 29.998 ( 14.356 0.000 -0.355) 14.360 30.081 ( 4.278 0.000 -2.414) 4.912 30.559 ( 2.659 0.000 0.298) 2.675 30.670 ( 5.742 0.000 0.197) 5.745 30.764 ( 9.420 0.000 -0.643) 9.441 30.766 ( 3.130 0.000 -1.227) 3.362 30.965 ( 4.137 0.000 2.998) 5.109 31.092 ( -2.559 0.000 -1.068) 2.773 31.263 ( 5.709 0.000 6.569) 8.703 31.285 ( 19.496 0.000 -7.320) 20.825 32.280 ( 3.209 0.000 -7.300) 7.975 32.373 ( 2.168 0.000 6.130) 6.502 32.966 ( 0.139 0.000 -2.512) 2.516 32.994 ( 0.419 0.000 1.470) 1.528 33.996 ( -3.285 0.000 -1.590) 3.649 34.015 ( -5.218 0.000 3.327) 6.188 34.558 ( -13.899 0.000 6.641) 15.404 34.914 ( 0.846 0.000 3.911) 4.002 ======================= Grid point 171 (67/88) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( 21.833 0.000 -5.636) 22.549 1.425 ( 12.354 0.000 -22.583) 25.741 1.603 ( 14.010 0.000 2.834) 14.294 1.737 ( 6.085 0.000 14.630) 15.845 2.026 ( 0.909 0.000 -4.140) 4.239 2.178 ( -5.171 0.000 20.191) 20.843 2.189 ( 9.630 0.000 -8.647) 12.942 2.342 ( 2.949 0.000 5.567) 6.300 2.430 ( -2.065 0.000 -5.747) 6.107 2.583 ( 6.431 0.000 1.721) 6.657 2.613 ( 14.356 0.000 -6.478) 15.750 2.914 ( 1.285 0.000 1.968) 2.350 3.036 ( -3.094 0.000 -0.154) 3.097 3.097 ( 2.279 0.000 -2.461) 3.354 3.291 ( -4.424 0.000 -7.394) 8.617 3.772 ( 2.524 0.000 9.169) 9.510 3.976 ( 11.909 0.000 2.200) 12.110 3.986 ( 13.749 0.000 6.804) 15.340 4.186 ( -3.065 0.000 -3.860) 4.929 4.220 ( -10.861 0.000 -9.699) 14.561 4.329 ( 9.896 0.000 0.826) 9.931 4.418 ( 10.673 0.000 -7.344) 12.956 4.556 ( -7.529 0.000 18.562) 20.030 4.716 ( 8.172 0.000 -12.100) 14.601 4.844 ( 17.616 0.000 3.066) 17.881 4.889 ( 20.642 0.000 -0.182) 20.643 5.027 ( 12.150 0.000 7.346) 14.199 5.041 ( 14.858 0.000 5.734) 15.926 5.072 ( -0.900 0.000 4.186) 4.282 5.121 ( -0.656 0.000 -9.026) 9.049 5.290 ( 7.652 0.000 -0.486) 7.667 5.560 ( 4.863 0.000 -3.677) 6.097 5.614 ( 3.312 0.000 5.120) 6.098 5.651 ( 5.695 0.000 -12.159) 13.426 5.863 ( 12.844 0.000 -4.666) 13.665 5.911 ( 1.071 0.000 4.920) 5.035 6.035 ( 6.385 0.000 -1.194) 6.496 6.161 ( 12.546 0.000 -0.087) 12.546 6.375 ( -2.948 0.000 -2.338) 3.763 6.429 ( -8.767 0.000 -4.078) 9.669 6.668 ( -0.477 0.000 0.823) 0.951 6.971 ( 6.825 0.000 0.392) 6.836 7.106 ( 4.505 0.000 6.271) 7.721 7.173 ( -1.933 0.000 4.931) 5.296 7.543 ( -3.210 0.000 -5.280) 6.179 7.603 ( -5.036 0.000 -4.925) 7.044 7.716 ( 3.906 0.000 5.262) 6.553 7.857 ( -3.752 0.000 1.522) 4.048 8.026 ( -2.561 0.000 9.920) 10.245 8.188 ( -9.592 0.000 7.884) 12.417 8.214 ( -17.298 0.000 -16.303) 23.770 8.790 ( -23.420 0.000 -4.485) 23.845 9.148 ( -0.783 0.000 -1.545) 1.732 9.253 ( -5.586 0.000 4.217) 6.999 9.410 ( 0.869 0.000 0.294) 0.917 9.472 ( -4.264 0.000 -1.800) 4.629 9.599 ( 2.512 0.000 -3.508) 4.314 9.673 ( -1.103 0.000 -1.031) 1.510 9.754 ( 3.448 0.000 -1.456) 3.743 9.853 ( -0.225 0.000 6.697) 6.701 10.149 ( -1.739 0.000 4.214) 4.558 10.167 ( -0.163 0.000 -6.782) 6.784 10.400 ( -8.104 0.000 3.244) 8.729 10.492 ( -1.370 0.000 1.113) 1.765 10.732 ( -5.475 0.000 -0.726) 5.523 10.880 ( 0.558 0.000 -1.862) 1.943 10.968 ( 4.043 0.000 -3.156) 5.129 11.037 ( -1.865 0.000 3.439) 3.912 11.113 ( -3.650 0.000 5.895) 6.934 11.173 ( -2.914 0.000 -5.620) 6.330 11.366 ( 1.457 0.000 -6.311) 6.477 11.608 ( -1.379 0.000 5.960) 6.118 12.467 ( 6.765 0.000 0.926) 6.828 12.524 ( -0.189 0.000 3.254) 3.259 12.753 ( -1.928 0.000 -0.096) 1.931 12.774 ( 1.134 0.000 0.821) 1.400 13.656 ( -5.186 0.000 -0.994) 5.280 13.728 ( -4.537 0.000 1.244) 4.705 14.001 ( -3.712 0.000 -2.438) 4.441 14.047 ( -2.837 0.000 6.225) 6.841 14.811 ( -3.946 0.000 -4.760) 6.183 14.964 ( 1.520 0.000 -6.689) 6.859 15.050 ( 0.437 0.000 -0.702) 0.827 15.123 ( 2.247 0.000 0.781) 2.378 15.270 ( -3.854 0.000 1.973) 4.330 15.373 ( 7.269 0.000 6.495) 9.748 15.469 ( 2.508 0.000 -6.364) 6.841 15.495 ( -1.129 0.000 -1.035) 1.532 15.546 ( -0.028 0.000 0.430) 0.431 15.603 ( 2.182 0.000 -0.724) 2.299 15.692 ( 3.920 0.000 -2.034) 4.416 16.220 ( 2.253 0.000 5.233) 5.697 16.442 ( 4.069 0.000 -5.768) 7.059 16.602 ( -1.150 0.000 0.742) 1.369 16.844 ( -1.978 0.000 1.953) 2.780 16.868 ( 1.980 0.000 3.137) 3.710 17.579 ( -0.313 0.000 2.342) 2.363 17.600 ( 3.123 0.000 -1.681) 3.546 17.840 ( -4.026 0.000 0.669) 4.081 17.917 ( -3.404 0.000 -1.901) 3.899 21.761 ( 2.415 0.000 -1.619) 2.907 21.765 ( 3.148 0.000 1.137) 3.347 22.447 ( -4.135 0.000 -2.408) 4.785 22.492 ( -3.867 0.000 2.787) 4.767 26.797 ( -1.910 0.000 -0.871) 2.099 26.802 ( -1.958 0.000 1.285) 2.342 26.871 ( -1.814 0.000 -2.433) 3.035 26.965 ( -4.836 0.000 -1.837) 5.174 28.446 ( 0.147 0.000 1.605) 1.612 28.494 ( 0.186 0.000 -0.556) 0.586 28.599 ( -1.923 0.000 1.828) 2.654 28.623 ( -1.856 0.000 -3.223) 3.719 29.362 ( 5.946 0.000 9.764) 11.432 29.427 ( -6.291 0.000 -5.637) 8.447 30.045 ( -3.193 0.000 -6.684) 7.408 30.174 ( 4.178 0.000 1.940) 4.606 30.669 ( 5.821 0.000 3.508) 6.796 30.750 ( 2.401 0.000 0.749) 2.515 30.782 ( 2.998 0.000 -4.721) 5.593 30.920 ( 0.616 0.000 -2.165) 2.251 31.034 ( -0.510 0.000 5.328) 5.353 31.111 ( 12.230 0.000 -1.983) 12.390 31.501 ( 5.759 0.000 15.562) 16.594 31.593 ( 18.543 0.000 -11.361) 21.747 32.319 ( 7.065 0.000 -7.133) 10.040 32.481 ( 3.555 0.000 5.908) 6.895 32.942 ( -0.132 0.000 -2.879) 2.882 33.021 ( 1.670 0.000 0.613) 1.779 33.886 ( -10.699 0.000 2.408) 10.967 33.895 ( -6.160 0.000 -0.454) 6.177 34.369 ( -10.543 0.000 6.573) 12.424 34.876 ( -3.686 0.000 -3.155) 4.852 ======================= Grid point 172 (68/88) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 20.145 0.000 0.469) 20.151 1.570 ( 15.866 0.000 -9.283) 18.382 1.832 ( 8.781 0.000 -1.297) 8.876 1.900 ( 1.419 0.000 8.500) 8.618 1.964 ( -3.879 0.000 1.793) 4.273 2.193 ( -4.176 0.000 -2.048) 4.651 2.209 ( -6.728 0.000 16.283) 17.619 2.363 ( 1.062 0.000 -2.278) 2.513 2.401 ( 0.267 0.000 -0.729) 0.776 2.587 ( -5.148 0.000 -1.472) 5.355 2.831 ( -6.375 0.000 2.647) 6.902 2.874 ( 15.819 0.000 -9.611) 18.510 3.137 ( 2.209 0.000 -8.079) 8.376 3.152 ( 9.107 0.000 -1.654) 9.256 3.259 ( 3.757 0.000 6.217) 7.264 3.811 ( -6.882 0.000 4.371) 8.153 3.899 ( -11.248 0.000 -7.238) 13.375 4.107 ( 4.107 0.000 1.773) 4.473 4.258 ( 12.558 0.000 5.468) 13.696 4.336 ( 10.095 0.000 7.967) 12.861 4.568 ( 5.077 0.000 9.659) 10.912 4.594 ( 14.635 0.000 -10.373) 17.938 4.692 ( 7.835 0.000 15.370) 17.252 4.733 ( 7.125 0.000 -14.609) 16.253 4.923 ( -6.606 0.000 5.100) 8.346 5.038 ( 8.107 0.000 -19.571) 21.184 5.176 ( 3.961 0.000 4.122) 5.717 5.192 ( 3.233 0.000 -0.713) 3.311 5.334 ( 6.491 0.000 -1.096) 6.583 5.355 ( 15.165 0.000 2.044) 15.303 5.454 ( 15.870 0.000 -0.480) 15.878 5.635 ( 2.082 0.000 -0.143) 2.087 5.636 ( 4.892 0.000 -6.304) 7.980 5.800 ( 13.417 0.000 -0.467) 13.425 6.018 ( 10.191 0.000 2.405) 10.471 6.119 ( 12.386 0.000 0.307) 12.390 6.192 ( 6.019 0.000 0.326) 6.028 6.271 ( 5.525 0.000 -4.036) 6.842 6.330 ( 3.569 0.000 -2.874) 4.582 6.496 ( 9.408 0.000 4.525) 10.440 6.727 ( 4.116 0.000 4.649) 6.209 6.889 ( -4.040 0.000 -5.083) 6.493 7.116 ( -5.872 0.000 2.452) 6.363 7.390 ( -8.579 0.000 -3.769) 9.370 7.396 ( -5.873 0.000 -0.463) 5.891 7.472 ( 9.761 0.000 6.911) 11.960 7.741 ( -8.177 0.000 -0.250) 8.181 7.796 ( -1.221 0.000 6.115) 6.236 7.862 ( -9.214 0.000 -8.638) 12.629 8.037 ( -10.749 0.000 4.841) 11.789 8.100 ( 1.673 0.000 6.395) 6.610 8.236 ( -24.935 0.000 -9.505) 26.685 9.155 ( 0.540 0.000 0.000) 0.540 9.207 ( -3.131 0.000 5.098) 5.983 9.335 ( -5.946 0.000 -3.265) 6.784 9.427 ( -0.457 0.000 2.113) 2.162 9.682 ( 6.297 0.000 0.167) 6.300 9.698 ( 1.492 0.000 2.632) 3.026 9.790 ( 3.676 0.000 -7.003) 7.909 9.883 ( 0.232 0.000 1.968) 1.982 10.109 ( -0.875 0.000 -3.239) 3.355 10.142 ( -4.280 0.000 6.872) 8.096 10.318 ( -2.881 0.000 3.035) 4.185 10.440 ( -4.819 0.000 0.845) 4.892 10.674 ( 0.271 0.000 -0.547) 0.610 10.835 ( -3.134 0.000 -2.615) 4.082 10.992 ( 2.103 0.000 -5.611) 5.993 11.048 ( -0.179 0.000 3.794) 3.799 11.095 ( -0.293 0.000 -4.755) 4.764 11.096 ( -2.972 0.000 5.778) 6.498 11.323 ( -1.141 0.000 -3.622) 3.797 11.552 ( -4.512 0.000 -2.363) 5.093 12.515 ( -2.050 0.000 2.322) 3.097 12.589 ( 5.048 0.000 0.431) 5.066 12.706 ( -1.865 0.000 -2.086) 2.798 12.801 ( 0.158 0.000 1.474) 1.482 13.567 ( -4.157 0.000 1.214) 4.330 13.647 ( -3.981 0.000 -0.332) 3.995 13.923 ( -2.180 0.000 -2.051) 2.994 14.046 ( -3.293 0.000 5.898) 6.755 14.740 ( 0.219 0.000 -3.002) 3.010 14.912 ( 2.846 0.000 -7.252) 7.790 15.074 ( 1.938 0.000 0.309) 1.962 15.189 ( -1.121 0.000 -1.379) 1.778 15.278 ( -0.228 0.000 4.820) 4.825 15.413 ( -3.658 0.000 -1.083) 3.815 15.418 ( -0.851 0.000 2.479) 2.621 15.559 ( 3.357 0.000 5.636) 6.560 15.611 ( 5.474 0.000 -2.062) 5.849 15.647 ( 2.974 0.000 -0.298) 2.989 15.763 ( 3.893 0.000 -0.766) 3.968 16.219 ( -5.571 0.000 0.685) 5.613 16.515 ( 8.377 0.000 -4.554) 9.535 16.604 ( 1.684 0.000 -0.511) 1.760 16.824 ( -0.940 0.000 0.166) 0.955 16.889 ( -1.735 0.000 2.883) 3.365 17.600 ( 0.403 0.000 2.728) 2.758 17.637 ( 2.590 0.000 -3.145) 4.075 17.776 ( -3.952 0.000 2.088) 4.470 17.827 ( -3.759 0.000 -2.276) 4.394 21.810 ( 3.906 0.000 -0.968) 4.024 21.851 ( 4.947 0.000 0.764) 5.005 22.336 ( -5.322 0.000 -1.861) 5.638 22.426 ( -5.059 0.000 1.766) 5.358 26.750 ( -1.878 0.000 -0.897) 2.081 26.776 ( -2.379 0.000 2.160) 3.213 26.851 ( -0.088 0.000 -0.424) 0.433 26.874 ( -3.176 0.000 -1.048) 3.345 28.470 ( 0.518 0.000 2.098) 2.161 28.491 ( 0.108 0.000 -1.422) 1.426 28.566 ( -1.033 0.000 -2.528) 2.731 28.574 ( -1.929 0.000 1.514) 2.452 29.312 ( -1.691 0.000 -3.260) 3.673 29.546 ( 4.487 0.000 7.098) 8.398 29.896 ( -5.808 0.000 -4.576) 7.394 30.207 ( -1.908 0.000 1.037) 2.172 30.769 ( 1.632 0.000 2.073) 2.639 30.788 ( 1.071 0.000 0.527) 1.194 30.812 ( 2.594 0.000 -3.683) 4.505 30.856 ( -2.767 0.000 -1.430) 3.115 31.121 ( 3.254 0.000 13.091) 13.489 31.381 ( 14.894 0.000 -4.906) 15.682 31.678 ( 0.811 0.000 13.054) 13.079 31.788 ( 11.289 0.000 -11.798) 16.328 32.421 ( 8.524 0.000 -6.095) 10.479 32.584 ( 1.628 0.000 5.578) 5.810 32.929 ( 1.623 0.000 -2.882) 3.308 33.080 ( 4.531 0.000 -0.161) 4.534 33.654 ( -14.414 0.000 1.915) 14.541 33.756 ( -7.954 0.000 -0.051) 7.954 34.283 ( -3.644 0.000 6.433) 7.394 34.763 ( -2.385 0.000 -9.204) 9.508 ======================= Grid point 173 (69/88) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( 12.765 0.000 -0.775) 12.788 1.871 ( 12.504 0.000 1.804) 12.633 1.930 ( -1.583 0.000 3.888) 4.198 1.948 ( -0.256 0.000 1.757) 1.775 1.950 ( 3.851 0.000 2.026) 4.352 2.135 ( 0.682 0.000 -1.600) 1.739 2.178 ( -6.671 0.000 5.573) 8.693 2.317 ( -6.740 0.000 -1.528) 6.911 2.371 ( 0.235 0.000 0.956) 0.985 2.470 ( -3.895 0.000 -2.513) 4.636 2.788 ( -0.922 0.000 5.497) 5.574 3.037 ( 4.661 0.000 -10.651) 11.626 3.119 ( 5.240 0.000 -2.912) 5.994 3.252 ( 2.168 0.000 0.038) 2.169 3.336 ( 0.302 0.000 0.081) 0.313 3.636 ( -11.034 0.000 -0.788) 11.062 3.821 ( 5.059 0.000 6.761) 8.444 4.309 ( 11.369 0.000 4.151) 12.103 4.354 ( -10.007 0.000 0.430) 10.016 4.494 ( 6.859 0.000 4.148) 8.016 4.753 ( 3.487 0.000 11.388) 11.910 4.779 ( 9.145 0.000 -11.078) 14.365 4.817 ( 15.046 0.000 -15.207) 21.393 4.861 ( -5.939 0.000 10.190) 11.795 4.961 ( 5.384 0.000 12.854) 13.936 4.991 ( 4.553 0.000 -14.417) 15.119 5.171 ( 0.436 0.000 -6.637) 6.651 5.240 ( 0.340 0.000 2.018) 2.047 5.393 ( 2.613 0.000 0.707) 2.707 5.584 ( -4.743 0.000 -5.396) 7.184 5.590 ( 6.368 0.000 4.369) 7.722 5.667 ( 6.503 0.000 -4.792) 8.078 5.797 ( 9.517 0.000 1.908) 9.706 5.997 ( 7.242 0.000 -5.473) 9.077 6.238 ( 2.947 0.000 4.000) 4.968 6.321 ( 8.022 0.000 3.773) 8.865 6.338 ( 16.746 0.000 1.071) 16.780 6.457 ( 14.146 0.000 -0.803) 14.169 6.503 ( 11.445 0.000 0.174) 11.447 6.638 ( 2.799 0.000 -0.198) 2.806 6.814 ( -2.184 0.000 3.566) 4.182 6.822 ( 0.067 0.000 -0.657) 0.660 7.014 ( -7.143 0.000 3.421) 7.920 7.137 ( -11.635 0.000 -8.669) 14.509 7.233 ( -1.003 0.000 -5.233) 5.328 7.525 ( -14.322 0.000 1.672) 14.420 7.680 ( -5.864 0.000 -1.096) 5.965 7.705 ( -1.778 0.000 3.764) 4.163 7.769 ( -4.681 0.000 2.926) 5.520 7.800 ( -9.542 0.000 -5.670) 11.099 7.944 ( 1.573 0.000 5.342) 5.569 8.150 ( -0.155 0.000 0.661) 0.679 9.154 ( 0.221 0.000 -1.244) 1.263 9.196 ( -2.771 0.000 2.077) 3.463 9.245 ( -0.503 0.000 1.322) 1.414 9.404 ( -4.148 0.000 1.708) 4.486 9.742 ( -0.165 0.000 4.618) 4.620 9.778 ( 4.267 0.000 -7.870) 8.952 9.811 ( 6.086 0.000 -5.104) 7.943 9.908 ( 0.393 0.000 1.390) 1.445 10.095 ( 0.458 0.000 0.559) 0.723 10.110 ( -3.510 0.000 5.925) 6.887 10.308 ( -0.881 0.000 1.527) 1.763 10.360 ( -4.281 0.000 2.066) 4.753 10.691 ( 0.919 0.000 -0.516) 1.054 10.749 ( -2.852 0.000 -2.242) 3.628 10.985 ( 3.392 0.000 -6.194) 7.062 11.074 ( -1.736 0.000 3.556) 3.957 11.086 ( -2.180 0.000 5.670) 6.075 11.086 ( 2.260 0.000 -3.162) 3.886 11.284 ( -1.208 0.000 0.553) 1.329 11.427 ( -4.528 0.000 -5.824) 7.377 12.513 ( -0.236 0.000 3.545) 3.553 12.629 ( -1.370 0.000 -3.314) 3.586 12.691 ( 3.279 0.000 -0.551) 3.325 12.796 ( -1.763 0.000 0.994) 2.024 13.520 ( -2.155 0.000 2.438) 3.253 13.574 ( -2.555 0.000 -1.900) 3.184 13.896 ( 0.960 0.000 -1.230) 1.560 14.005 ( -4.399 0.000 2.665) 5.143 14.773 ( 4.164 0.000 0.472) 4.191 14.951 ( 3.620 0.000 -2.947) 4.668 15.112 ( 1.527 0.000 -0.233) 1.545 15.117 ( -4.437 0.000 -1.178) 4.591 15.230 ( -1.361 0.000 -2.075) 2.482 15.314 ( -5.168 0.000 -1.099) 5.284 15.517 ( 2.821 0.000 7.330) 7.854 15.620 ( 0.778 0.000 0.367) 0.860 15.705 ( 4.701 0.000 -0.235) 4.707 15.707 ( 1.926 0.000 2.253) 2.964 15.820 ( 3.008 0.000 -0.607) 3.069 16.071 ( -7.646 0.000 -2.522) 8.052 16.640 ( 6.737 0.000 -3.468) 7.577 16.649 ( 2.606 0.000 0.080) 2.607 16.813 ( -0.055 0.000 -0.073) 0.092 16.868 ( -2.577 0.000 2.686) 3.722 17.636 ( 0.489 0.000 3.363) 3.399 17.648 ( 1.855 0.000 -4.178) 4.571 17.721 ( -3.552 0.000 2.529) 4.360 17.749 ( -2.294 0.000 -2.048) 3.075 21.893 ( 4.599 0.000 0.681) 4.649 21.956 ( 4.992 0.000 -0.435) 5.011 22.227 ( -4.418 0.000 -0.178) 4.421 22.325 ( -5.865 0.000 -0.230) 5.869 26.718 ( -0.609 0.000 -0.942) 1.122 26.742 ( -2.755 0.000 1.979) 3.392 26.833 ( -0.635 0.000 -0.246) 0.681 26.844 ( -0.304 0.000 -0.472) 0.561 28.479 ( 0.346 0.000 -1.914) 1.945 28.486 ( -0.551 0.000 1.354) 1.462 28.546 ( 0.379 0.000 -1.397) 1.447 28.556 ( -1.323 0.000 1.968) 2.371 29.310 ( 2.701 0.000 0.364) 2.726 29.564 ( -4.299 0.000 -4.645) 6.329 29.854 ( 2.066 0.000 6.073) 6.415 30.127 ( -5.340 0.000 -2.185) 5.770 30.787 ( -0.827 0.000 -0.347) 0.897 30.787 ( -0.872 0.000 0.777) 1.168 30.820 ( 1.607 0.000 -2.081) 2.629 30.831 ( 0.214 0.000 0.242) 0.323 31.338 ( 4.202 0.000 18.530) 19.001 31.553 ( 8.279 0.000 -9.041) 12.258 31.765 ( -1.298 0.000 10.229) 10.311 31.838 ( 4.991 0.000 -13.166) 14.081 32.529 ( 7.155 0.000 -5.406) 8.967 32.624 ( -1.907 0.000 5.101) 5.446 32.971 ( 5.523 0.000 -2.833) 6.207 33.175 ( 3.782 0.000 -1.219) 3.974 33.414 ( -10.207 0.000 3.490) 10.787 33.594 ( -8.550 0.000 -0.212) 8.552 34.332 ( 1.957 0.000 8.721) 8.938 34.631 ( -2.634 0.000 -11.539) 11.835 ======================= Grid point 174 (70/88) ======================= q-point: (-0.50 0.00 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( 0.195 0.000 -2.488) 2.496 1.940 ( -0.195 0.000 2.488) 2.496 2.001 ( 1.255 0.000 -0.430) 1.327 2.001 ( -1.255 0.000 0.430) 1.327 2.040 ( -5.823 0.000 -4.365) 7.277 2.040 ( 5.823 0.000 4.365) 7.277 2.190 ( -6.013 0.000 1.788) 6.274 2.190 ( 6.013 0.000 -1.788) 6.274 2.398 ( -1.259 0.000 -2.798) 3.068 2.398 ( 1.259 0.000 2.798) 3.068 2.894 ( -4.547 0.000 -10.084) 11.062 2.894 ( 4.547 0.000 10.084) 11.062 3.252 ( 4.039 0.000 -2.481) 4.740 3.252 ( -4.039 0.000 2.481) 4.740 3.409 ( -8.776 0.000 -3.188) 9.337 3.409 ( 8.776 0.000 3.188) 9.337 4.084 ( -13.430 0.000 -6.050) 14.730 4.084 ( 13.430 0.000 6.050) 14.730 4.528 ( -6.512 0.000 -0.404) 6.524 4.528 ( 6.512 0.000 0.404) 6.524 4.813 ( 4.814 0.000 -9.568) 10.711 4.813 ( -4.814 0.000 9.568) 10.711 4.857 ( 5.522 0.000 -15.116) 16.093 4.857 ( -5.522 0.000 15.116) 16.093 5.067 ( 4.594 0.000 -8.697) 9.836 5.067 ( -4.594 0.000 8.697) 9.836 5.188 ( 7.389 0.000 -4.681) 8.746 5.188 ( -7.389 0.000 4.681) 8.746 5.454 ( -3.586 0.000 -1.955) 4.084 5.454 ( 3.586 0.000 1.955) 4.084 5.690 ( 0.320 0.000 -5.836) 5.845 5.690 ( -0.320 0.000 5.836) 5.845 5.952 ( -3.718 0.000 -6.835) 7.780 5.952 ( 3.718 0.000 6.835) 7.780 6.375 ( -5.269 0.000 0.387) 5.284 6.375 ( 5.270 0.000 -0.387) 5.284 6.591 ( -6.597 0.000 -2.394) 7.018 6.591 ( 6.597 0.000 2.394) 7.018 6.702 ( -7.420 0.000 -0.284) 7.425 6.702 ( 7.420 0.000 0.284) 7.425 6.787 ( -13.872 0.000 -1.109) 13.917 6.787 ( 13.872 0.000 1.109) 13.917 6.904 ( 4.925 0.000 -5.890) 7.678 6.904 ( -4.925 0.000 5.890) 7.678 7.290 ( -9.455 0.000 3.037) 9.930 7.290 ( 9.455 0.000 -3.037) 9.930 7.627 ( -0.255 0.000 -2.316) 2.330 7.627 ( 0.255 0.000 2.316) 2.330 7.721 ( 0.130 0.000 -0.134) 0.186 7.721 ( -0.130 0.000 0.134) 0.186 8.089 ( -4.692 0.000 -4.297) 6.362 8.089 ( 4.692 0.000 4.297) 6.362 9.158 ( 1.513 0.000 -1.079) 1.859 9.158 ( -1.513 0.000 1.079) 1.859 9.310 ( -4.301 0.000 -2.118) 4.794 9.310 ( 4.301 0.000 2.118) 4.794 9.770 ( 1.850 0.000 -6.982) 7.223 9.770 ( -1.850 0.000 6.982) 7.223 9.888 ( 4.984 0.000 -4.403) 6.651 9.888 ( -4.984 0.000 4.403) 6.651 10.109 ( 0.706 0.000 -1.593) 1.742 10.109 ( -0.706 0.000 1.593) 1.742 10.312 ( 1.979 0.000 -1.658) 2.582 10.312 ( -1.979 0.000 1.658) 2.582 10.703 ( -1.021 0.000 -0.261) 1.054 10.703 ( 1.021 0.000 0.261) 1.054 11.029 ( 4.937 0.000 -4.315) 6.557 11.029 ( -4.937 0.000 4.315) 6.557 11.101 ( 1.944 0.000 -4.811) 5.189 11.101 ( -1.944 0.000 4.811) 5.189 11.310 ( -1.850 0.000 -5.475) 5.779 11.310 ( 1.850 0.000 5.475) 5.779 12.562 ( -1.581 0.000 -4.379) 4.656 12.562 ( 1.581 0.000 4.379) 4.656 12.753 ( -3.135 0.000 0.548) 3.182 12.753 ( 3.135 0.000 -0.548) 3.182 13.525 ( -0.426 0.000 -2.684) 2.718 13.525 ( 0.426 0.000 2.684) 2.718 13.936 ( -3.778 0.000 1.023) 3.914 13.936 ( 3.778 0.000 -1.023) 3.914 14.892 ( -5.292 0.000 -4.082) 6.683 14.892 ( 5.292 0.000 4.082) 6.683 15.107 ( -0.936 0.000 -3.055) 3.195 15.107 ( 0.936 0.000 3.055) 3.195 15.228 ( 2.838 0.000 -1.345) 3.140 15.228 ( -2.838 0.000 1.345) 3.140 15.602 ( -1.544 0.000 -2.891) 3.277 15.602 ( 1.544 0.000 2.891) 3.277 15.745 ( -0.284 0.000 -0.819) 0.867 15.745 ( 0.284 0.000 0.819) 0.867 15.913 ( -6.418 0.000 -1.727) 6.647 15.913 ( 6.418 0.000 1.727) 6.647 16.685 ( 0.303 0.000 -1.964) 1.988 16.685 ( -0.303 0.000 1.964) 1.988 16.833 ( 2.581 0.000 -1.330) 2.904 16.833 ( -2.581 0.000 1.330) 2.904 17.653 ( 2.093 0.000 -4.031) 4.542 17.653 ( -2.093 0.000 4.031) 4.542 17.705 ( -0.348 0.000 -2.179) 2.206 17.705 ( 0.348 0.000 2.179) 2.206 21.980 ( -2.063 0.000 -2.129) 2.965 21.980 ( 2.063 0.000 2.129) 2.965 22.217 ( -3.268 0.000 -1.819) 3.740 22.217 ( 3.268 0.000 1.819) 3.740 26.714 ( 1.241 0.000 -1.279) 1.782 26.714 ( -1.241 0.000 1.279) 1.782 26.833 ( -0.270 0.000 -0.502) 0.570 26.833 ( 0.270 0.000 0.502) 0.570 28.479 ( 0.944 0.000 -1.250) 1.566 28.479 ( -0.944 0.000 1.250) 1.566 28.549 ( 1.058 0.000 -1.691) 1.995 28.549 ( -1.058 0.000 1.691) 1.995 29.414 ( -5.688 0.000 -4.116) 7.020 29.414 ( 5.688 0.000 4.116) 7.020 29.987 ( -5.403 0.000 -5.506) 7.714 29.987 ( 5.403 0.000 5.506) 7.714 30.777 ( 0.161 0.000 -0.103) 0.191 30.777 ( -0.161 0.000 0.103) 0.191 30.833 ( 0.486 0.000 -0.432) 0.650 30.833 ( -0.486 0.000 0.432) 0.650 31.532 ( 0.317 0.000 -16.432) 16.436 31.532 ( -0.317 0.000 16.432) 16.436 31.807 ( 2.855 0.000 -10.870) 11.239 31.807 ( -2.855 0.000 10.870) 11.239 32.601 ( 4.622 0.000 -4.903) 6.738 32.601 ( -4.622 0.000 4.903) 6.738 33.096 ( -8.808 0.000 1.856) 9.002 33.096 ( 8.808 0.000 -1.856) 9.002 33.433 ( -6.836 0.000 -1.278) 6.954 33.433 ( 6.836 0.000 1.278) 6.954 34.475 ( -3.609 0.000 -11.221) 11.787 34.475 ( 3.609 0.000 11.221) 11.787 ======================= Grid point 180 (71/88) ======================= q-point: ( 0.00 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( 3.678 15.605 -11.960) 20.002 1.110 ( -3.678 15.605 11.960) 20.002 1.308 ( 4.390 9.964 -16.342) 19.637 1.308 ( -4.390 9.964 16.342) 19.637 1.967 ( 6.003 2.783 -26.334) 27.152 1.967 ( -6.003 2.783 26.334) 27.152 2.164 ( -1.128 -2.044 -0.578) 2.406 2.164 ( 1.128 -2.044 0.578) 2.406 2.300 ( 1.005 -2.137 -12.588) 12.808 2.300 ( -1.005 -2.137 12.588) 12.808 2.847 ( -1.870 5.872 -4.465) 7.610 2.847 ( 1.870 5.872 4.465) 7.610 3.122 ( -2.148 -4.401 -4.473) 6.632 3.122 ( 2.148 -4.401 4.473) 6.632 3.598 ( -3.370 -1.083 -10.893) 11.453 3.598 ( 3.370 -1.083 10.893) 11.453 3.721 ( -4.342 6.239 -0.919) 7.656 3.721 ( 4.342 6.239 0.919) 7.656 4.073 ( -1.803 0.569 -0.280) 1.911 4.073 ( 1.803 0.569 0.280) 1.911 4.232 ( -2.616 0.248 -1.207) 2.891 4.232 ( 2.616 0.248 1.207) 2.891 4.431 ( 2.962 0.954 -2.834) 4.209 4.431 ( -2.962 0.954 2.834) 4.209 4.585 ( -3.562 0.247 -1.246) 3.781 4.585 ( 3.562 0.247 1.246) 3.781 4.917 ( -6.481 0.387 -3.927) 7.588 4.917 ( 6.481 0.387 3.927) 7.588 5.059 ( -4.570 -6.002 -4.840) 8.963 5.059 ( 4.570 -6.002 4.840) 8.963 5.210 ( -0.610 1.290 -4.842) 5.048 5.210 ( 0.610 1.290 4.842) 5.048 5.438 ( 1.218 -5.402 -7.426) 9.264 5.438 ( -1.218 -5.402 7.426) 9.264 5.789 ( 2.486 -3.340 -4.108) 5.849 5.789 ( -2.486 -3.340 4.108) 5.849 5.980 ( -2.623 4.806 -5.044) 7.445 5.980 ( 2.623 4.806 5.044) 7.445 6.510 ( -0.525 -1.363 -4.037) 4.293 6.510 ( 0.525 -1.363 4.037) 4.293 6.859 ( 0.552 3.355 -6.502) 7.337 6.859 ( -0.552 3.355 6.502) 7.337 7.155 ( 1.341 4.506 -1.506) 4.937 7.155 ( -1.341 4.506 1.506) 4.937 7.646 ( -5.414 -2.674 -0.865) 6.100 7.646 ( 5.414 -2.674 0.865) 6.100 7.725 ( -0.175 0.341 -1.148) 1.210 7.725 ( 0.175 0.341 1.148) 1.210 8.100 ( -0.045 -8.066 -9.860) 12.738 8.100 ( 0.045 -8.066 9.860) 12.738 8.847 ( -4.521 -17.685 -7.303) 19.661 8.847 ( 4.521 -17.685 7.303) 19.661 9.289 ( 0.159 -5.982 -3.777) 7.076 9.289 ( -0.159 -5.982 3.777) 7.076 9.451 ( -1.435 -6.636 -0.591) 6.815 9.451 ( 1.435 -6.636 0.591) 6.815 9.640 ( -3.528 -0.028 -5.030) 6.144 9.640 ( 3.528 -0.028 5.030) 6.144 9.828 ( 3.351 2.127 -2.655) 4.775 9.828 ( -3.351 2.127 2.655) 4.775 10.141 ( 1.687 -4.787 -1.857) 5.405 10.141 ( -1.687 -4.787 1.857) 5.405 10.557 ( -0.504 0.464 -1.098) 1.295 10.557 ( 0.504 0.464 1.098) 1.295 10.851 ( -1.641 1.742 -3.187) 3.985 10.851 ( 1.641 1.742 3.187) 3.985 11.114 ( -5.481 5.184 -2.614) 7.984 11.114 ( 5.481 5.184 2.614) 7.984 11.203 ( -6.872 3.010 1.097) 7.582 11.203 ( 6.872 3.010 -1.097) 7.582 11.617 ( -7.380 19.621 -7.333) 22.209 11.617 ( 7.380 19.621 7.333) 22.209 12.354 ( -3.494 2.789 -1.859) 4.841 12.354 ( 3.494 2.789 1.859) 4.841 12.750 ( 0.317 -2.138 -2.687) 3.448 12.750 ( -0.317 -2.138 2.687) 3.448 13.821 ( -0.681 0.312 -3.289) 3.374 13.821 ( 0.681 0.312 3.289) 3.374 14.106 ( 1.958 -2.329 -2.940) 4.231 14.106 ( -1.958 -2.329 2.940) 4.231 14.885 ( -5.485 -2.530 0.406) 6.054 14.885 ( 5.485 -2.530 -0.406) 6.054 15.050 ( -3.112 -1.842 -1.854) 4.064 15.050 ( 3.112 -1.842 1.854) 4.064 15.252 ( -5.920 -4.051 -4.659) 8.553 15.252 ( 5.920 -4.051 4.659) 8.553 15.419 ( -1.520 -1.485 -1.085) 2.386 15.419 ( 1.520 -1.485 1.085) 2.386 15.640 ( 0.805 4.520 -2.141) 5.066 15.640 ( -0.805 4.520 2.141) 5.066 16.129 ( -8.112 -0.331 -2.919) 8.627 16.129 ( 8.112 -0.331 2.919) 8.627 16.359 ( -7.825 6.195 -2.534) 10.297 16.359 ( 7.825 6.195 2.534) 10.297 16.799 ( -2.864 -3.197 -5.345) 6.855 16.799 ( 2.864 -3.197 5.345) 6.855 17.581 ( 0.228 3.063 -2.725) 4.106 17.581 ( -0.228 3.063 2.725) 4.106 17.957 ( -0.083 -1.980 -1.257) 2.347 17.957 ( 0.083 -1.980 1.257) 2.347 21.831 ( -0.798 10.502 -2.517) 10.829 21.831 ( 0.798 10.502 2.517) 10.829 22.558 ( 0.536 -0.403 -2.193) 2.293 22.558 ( -0.536 -0.403 2.193) 2.293 26.832 ( -0.105 -0.874 -0.236) 0.911 26.832 ( 0.105 -0.874 0.236) 0.911 27.159 ( 1.107 1.436 -7.281) 7.503 27.159 ( -1.107 1.436 7.281) 7.503 28.478 ( -2.077 -0.741 -0.628) 2.293 28.478 ( 2.077 -0.741 0.628) 2.293 28.637 ( -0.429 1.971 -2.020) 2.855 28.637 ( 0.429 1.971 2.020) 2.855 29.586 ( -20.811 -0.450 -2.883) 21.015 29.586 ( 20.811 -0.450 2.883) 21.015 29.899 ( -10.533 -0.982 -3.792) 11.237 29.899 ( 10.533 -0.982 3.792) 11.237 30.577 ( -2.870 0.124 -0.826) 2.989 30.577 ( 2.870 0.124 0.826) 2.989 30.677 ( -0.916 0.553 -1.596) 1.922 30.677 ( 0.916 0.553 1.596) 1.922 30.949 ( -6.702 -3.923 -2.697) 8.221 30.949 ( 6.702 -3.923 2.697) 8.221 31.179 ( -2.339 -0.064 -0.668) 2.434 31.179 ( 2.339 -0.064 0.668) 2.434 32.298 ( 0.575 -0.167 -6.421) 6.448 32.298 ( -0.575 -0.167 6.421) 6.448 32.846 ( 1.347 -11.118 -3.596) 11.762 32.846 ( -1.347 -11.118 3.596) 11.762 34.081 ( 0.520 3.528 -3.634) 5.092 34.081 ( -0.520 3.528 3.634) 5.092 34.653 ( 0.280 -9.378 -8.301) 12.527 34.653 ( -0.280 -9.378 8.301) 12.527 ======================= Grid point 182 (72/88) ======================= q-point: ( 0.10 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( 6.899 20.675 -8.020) 23.225 1.279 ( 11.278 0.756 1.816) 11.448 1.368 ( 10.386 4.725 -5.438) 12.640 1.581 ( 14.580 10.400 1.435) 17.967 1.926 ( 12.499 4.334 -18.276) 22.562 2.049 ( -3.504 -2.886 13.944) 14.664 2.183 ( 0.823 -2.082 -0.617) 2.323 2.224 ( 2.099 0.571 5.229) 5.664 2.302 ( 11.303 -0.210 -6.008) 12.803 2.382 ( 1.048 -3.897 8.833) 9.711 2.762 ( -3.191 7.593 -4.319) 9.300 2.895 ( -0.607 -1.291 0.633) 1.560 3.058 ( -0.958 -0.426 -1.240) 1.623 3.201 ( 2.055 3.073 3.333) 4.978 3.439 ( -3.931 -0.684 -11.049) 11.747 3.680 ( 2.754 3.638 0.293) 4.572 3.782 ( 4.698 3.252 11.532) 12.870 3.845 ( 6.980 3.961 -1.460) 8.157 4.074 ( 4.097 -3.566 1.252) 5.574 4.135 ( 3.989 -0.560 -1.203) 4.204 4.329 ( 7.285 -1.483 -1.038) 7.507 4.387 ( 7.513 -0.934 0.678) 7.602 4.463 ( 11.365 2.439 4.949) 12.633 4.572 ( 12.368 1.642 -3.006) 12.834 4.636 ( 5.612 -0.752 -1.155) 5.779 4.676 ( 2.329 4.269 -0.088) 4.864 4.764 ( -0.600 1.881 6.018) 6.334 4.837 ( -4.158 1.147 -4.962) 6.575 5.039 ( -2.835 -7.080 1.411) 7.756 5.128 ( 7.097 -1.037 -1.352) 7.298 5.240 ( 0.073 -1.219 1.699) 2.093 5.401 ( 10.170 -1.209 -2.721) 10.597 5.441 ( 0.158 -9.674 -1.086) 9.736 5.534 ( 8.805 0.689 2.610) 9.209 5.791 ( 5.336 -5.312 -2.658) 7.985 5.843 ( 4.051 2.750 -4.476) 6.634 5.951 ( 4.244 -0.197 -0.085) 4.249 6.058 ( 0.083 5.780 3.902) 6.975 6.474 ( 0.676 -0.747 -3.523) 3.665 6.487 ( -1.443 0.316 -1.959) 2.454 6.747 ( -7.600 -1.473 -6.959) 10.410 6.946 ( 2.643 8.972 9.820) 13.562 7.146 ( 0.401 4.238 3.868) 5.752 7.165 ( 0.082 2.696 -4.809) 5.513 7.511 ( -2.336 -5.594 -3.206) 6.858 7.635 ( -3.985 -4.110 -2.321) 6.178 7.707 ( -1.967 1.385 0.319) 2.427 7.820 ( 2.569 -1.646 4.785) 5.675 8.023 ( -2.825 -3.588 0.389) 4.583 8.146 ( -3.857 -9.365 9.316) 13.761 8.553 ( -15.670 -15.044 -13.146) 25.390 8.892 ( -5.002 -13.418 5.519) 15.347 9.231 ( -2.468 -3.338 -3.975) 5.748 9.266 ( -4.038 -5.624 0.951) 6.988 9.426 ( -0.046 -5.972 0.242) 5.977 9.491 ( -4.527 -0.013 -2.192) 5.029 9.526 ( 2.222 -4.279 -2.015) 5.226 9.715 ( 1.758 -0.173 0.466) 1.827 9.772 ( -3.830 3.435 4.037) 6.540 9.862 ( 0.945 3.310 -0.525) 3.482 10.094 ( -3.118 -5.308 1.413) 6.316 10.162 ( 2.054 -3.153 -4.358) 5.758 10.512 ( -1.435 -0.593 1.489) 2.151 10.582 ( -1.847 -0.192 -1.377) 2.312 10.696 ( -9.016 3.722 0.562) 9.770 10.889 ( 1.059 1.042 -0.087) 1.488 11.038 ( -2.705 1.451 2.299) 3.835 11.079 ( -3.396 2.332 0.127) 4.122 11.221 ( 0.298 2.501 -0.428) 2.555 11.341 ( 7.686 4.179 -5.401) 10.281 11.426 ( -7.465 14.968 -1.943) 16.838 11.781 ( 0.754 16.739 10.597) 19.826 12.354 ( 3.869 1.832 0.627) 4.326 12.474 ( 5.059 2.257 3.031) 6.315 12.737 ( 0.552 -1.844 -1.590) 2.497 12.758 ( -0.824 -1.832 1.645) 2.597 13.748 ( -4.056 -1.311 -2.584) 4.984 13.818 ( -3.617 2.304 2.236) 4.836 14.032 ( -6.387 -4.147 2.398) 7.983 14.062 ( -3.369 -2.514 -1.698) 4.534 14.840 ( -0.786 -2.924 1.819) 3.532 14.944 ( -2.186 -4.839 -3.427) 6.319 15.015 ( -0.349 0.153 0.411) 0.560 15.066 ( 4.668 -2.211 0.412) 5.182 15.188 ( 1.532 -1.374 -0.780) 2.201 15.334 ( -0.670 -2.104 -0.047) 2.209 15.434 ( 3.615 -4.857 -0.010) 6.054 15.469 ( 1.835 1.238 1.581) 2.720 15.628 ( -0.755 3.806 -0.047) 3.881 15.649 ( 0.146 6.521 0.457) 6.538 15.955 ( -6.978 11.734 -7.267) 15.466 16.204 ( -0.537 4.699 0.824) 4.801 16.340 ( 6.057 -2.264 0.729) 6.507 16.522 ( 5.098 -1.607 5.580) 7.727 16.712 ( -0.601 -5.002 -3.858) 6.346 16.892 ( 0.747 -0.520 5.120) 5.200 17.575 ( 1.554 1.919 -2.044) 3.206 17.598 ( -0.539 3.044 2.870) 4.219 17.900 ( -3.642 -1.754 -0.297) 4.053 17.956 ( -1.287 -2.092 -1.124) 2.701 21.801 ( -0.330 8.857 -0.745) 8.894 21.867 ( 0.457 10.005 1.505) 10.128 22.512 ( -3.201 -1.476 -1.266) 3.745 22.535 ( -3.089 -0.543 0.875) 3.256 26.814 ( -1.047 -0.843 -0.276) 1.373 26.824 ( -0.992 -0.596 -0.391) 1.222 27.029 ( -6.872 2.503 -3.034) 7.918 27.123 ( -6.073 2.981 0.187) 6.768 28.443 ( -0.982 -0.095 0.172) 1.001 28.502 ( 0.209 -0.264 -0.282) 0.440 28.625 ( -0.598 1.299 0.783) 1.630 28.669 ( -0.310 1.292 1.803) 2.240 29.287 ( -3.721 2.589 -0.737) 4.593 29.629 ( -9.569 -1.147 -5.423) 11.059 29.977 ( 13.494 -1.664 -0.443) 13.603 30.066 ( 4.612 -1.432 -1.972) 5.217 30.567 ( 2.828 0.830 0.122) 2.950 30.675 ( 5.743 0.454 0.140) 5.762 30.739 ( 4.683 -1.461 -1.086) 5.025 30.795 ( 8.247 1.929 -0.843) 8.512 30.918 ( 3.872 -3.826 2.311) 5.914 31.110 ( -1.540 1.402 -0.515) 2.145 31.211 ( 14.681 -5.054 -0.640) 15.540 31.261 ( 8.753 -1.920 0.261) 8.965 32.285 ( 3.891 0.757 -7.050) 8.088 32.367 ( 2.330 -0.168 6.174) 6.601 32.861 ( 0.948 -9.293 0.256) 9.345 32.876 ( 4.676 -10.195 -3.099) 11.637 34.018 ( -4.312 2.280 -1.829) 5.209 34.059 ( -4.917 4.004 3.333) 7.164 34.466 ( -11.452 -7.493 2.640) 13.938 34.750 ( 0.464 -12.327 1.230) 12.397 ======================= Grid point 183 (73/88) ======================= q-point: ( 0.20 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( 13.758 8.605 -6.235) 17.384 1.428 ( 13.046 0.342 -15.325) 20.128 1.618 ( 13.295 3.635 3.746) 14.283 1.768 ( 2.958 2.142 7.856) 8.663 2.007 ( -0.667 -2.121 -3.682) 4.302 2.141 ( 10.324 -2.573 -4.835) 11.687 2.195 ( -4.916 0.152 15.278) 16.050 2.359 ( 3.624 0.857 4.341) 5.720 2.436 ( 0.546 -0.752 1.574) 1.828 2.599 ( 17.638 -0.780 -7.224) 19.076 2.681 ( 1.556 7.960 -3.310) 8.760 2.843 ( -2.481 -8.088 0.401) 8.470 3.081 ( 4.121 6.927 -0.756) 8.096 3.239 ( 1.422 11.835 -6.393) 13.526 3.296 ( -3.613 1.193 0.487) 3.835 3.766 ( 2.521 0.249 6.986) 7.431 3.989 ( 7.688 -0.179 0.846) 7.736 4.024 ( 12.619 2.042 6.959) 14.555 4.153 ( -0.813 -2.718 -0.835) 2.957 4.233 ( 0.691 1.490 -3.295) 3.682 4.345 ( 6.953 2.937 -2.460) 7.939 4.467 ( 5.881 1.431 -4.412) 7.490 4.596 ( -5.936 5.344 10.183) 12.942 4.674 ( 6.694 -2.177 -9.569) 11.879 4.815 ( 11.598 -2.739 -3.640) 12.460 4.897 ( 18.187 0.209 5.064) 18.880 4.980 ( 11.290 -1.775 5.021) 12.483 4.994 ( 10.203 -3.880 1.596) 11.032 5.091 ( 10.286 0.989 1.636) 10.462 5.172 ( -0.190 2.058 0.172) 2.074 5.232 ( 4.235 -4.266 0.396) 6.024 5.482 ( 4.982 -6.336 -1.144) 8.141 5.575 ( 10.965 -3.928 -4.318) 12.422 5.675 ( 5.684 1.962 -3.697) 7.059 5.849 ( 8.781 -1.093 -10.722) 13.902 5.995 ( 7.787 4.711 5.220) 10.492 6.059 ( 2.608 3.951 3.833) 6.091 6.149 ( 11.708 -1.201 -2.615) 12.056 6.349 ( -4.803 0.555 -2.092) 5.268 6.528 ( -1.823 5.159 -3.025) 6.252 6.596 ( 2.202 -0.946 -2.499) 3.462 7.059 ( -2.028 -2.330 -2.059) 3.712 7.127 ( 0.246 5.535 7.484) 9.311 7.178 ( 1.755 3.167 4.820) 6.028 7.457 ( -3.482 -5.712 -3.742) 7.665 7.576 ( -1.129 -5.945 -3.549) 7.015 7.684 ( -0.091 -2.151 3.985) 4.530 7.821 ( -4.971 -2.355 3.813) 6.693 8.002 ( -2.528 -2.414 3.870) 5.215 8.114 ( -7.267 -4.830 3.368) 9.353 8.154 ( -11.831 -5.254 -6.118) 14.318 8.680 ( -19.107 -9.311 -2.368) 21.386 9.154 ( -1.052 0.076 -1.939) 2.207 9.207 ( -2.847 -3.623 1.755) 4.931 9.409 ( -3.585 2.059 1.252) 4.319 9.444 ( 1.933 -5.929 0.990) 6.314 9.528 ( -0.686 -2.409 -3.217) 4.077 9.738 ( 2.872 -0.184 -4.399) 5.256 9.771 ( -0.970 2.553 5.537) 6.174 9.864 ( -0.111 1.383 0.629) 1.523 10.059 ( -2.731 -7.690 2.640) 8.577 10.153 ( 1.146 1.826 -5.053) 5.493 10.432 ( -6.474 -3.463 -1.021) 7.412 10.516 ( -6.151 3.934 2.316) 7.660 10.605 ( 0.328 -0.247 1.631) 1.682 10.899 ( -0.509 -1.707 -0.796) 1.951 11.015 ( -1.247 -1.571 1.956) 2.802 11.061 ( -0.699 1.848 2.428) 3.130 11.136 ( -5.708 4.966 -2.102) 7.852 11.317 ( -2.903 10.601 -0.977) 11.035 11.394 ( 2.910 4.905 -5.955) 8.245 11.787 ( -5.430 10.684 2.163) 12.179 12.457 ( 4.414 -0.337 1.547) 4.689 12.551 ( 1.122 1.003 1.868) 2.399 12.736 ( -1.550 -1.091 0.178) 1.904 12.762 ( 1.460 -0.921 0.752) 1.883 13.642 ( -5.057 -0.992 -0.463) 5.174 13.740 ( -4.794 1.319 0.532) 5.001 13.925 ( -5.068 -5.830 -0.464) 7.738 14.007 ( -2.688 -3.828 2.629) 5.365 14.828 ( -0.563 0.141 -0.721) 0.925 14.883 ( -0.530 -1.672 -3.785) 4.171 15.066 ( 3.964 -4.674 6.754) 9.121 15.158 ( 0.661 4.472 -2.971) 5.409 15.226 ( 3.087 -1.228 -0.772) 3.411 15.302 ( 0.141 -2.685 -0.661) 2.769 15.493 ( -0.324 -1.270 -0.824) 1.548 15.510 ( 3.914 -1.683 0.986) 4.374 15.613 ( -0.684 5.234 0.343) 5.290 15.667 ( 1.980 7.830 0.712) 8.107 15.811 ( -2.041 9.686 -4.714) 10.964 16.261 ( -0.070 2.716 3.386) 4.341 16.392 ( 5.062 -3.015 -3.634) 6.922 16.609 ( 0.783 0.141 0.568) 0.978 16.737 ( 2.704 -6.072 1.594) 6.835 16.900 ( -2.620 -0.960 2.760) 3.925 17.604 ( 0.331 1.867 1.054) 2.169 17.609 ( 1.834 1.384 -0.309) 2.319 17.829 ( -3.711 -1.144 0.708) 3.948 17.895 ( -3.332 -2.138 -1.976) 4.425 21.810 ( 1.681 6.275 -0.347) 6.506 21.881 ( 1.054 8.435 -0.232) 8.503 22.422 ( -4.637 -2.378 -1.868) 5.536 22.477 ( -3.883 -1.489 1.921) 4.581 26.788 ( -1.936 -0.554 -0.167) 2.020 26.798 ( -0.874 -0.262 -0.054) 0.913 26.908 ( -3.455 2.973 -1.294) 4.738 26.993 ( -6.135 2.189 -0.887) 6.574 28.442 ( 0.393 0.047 0.794) 0.887 28.506 ( 0.448 0.674 -0.139) 0.821 28.612 ( -1.962 1.212 1.631) 2.824 28.632 ( -1.868 0.839 -2.524) 3.250 29.376 ( 5.128 1.297 8.131) 9.700 29.439 ( -5.070 1.077 -4.553) 6.899 30.036 ( -2.370 -0.736 -6.039) 6.529 30.157 ( 4.209 -1.614 1.377) 4.714 30.662 ( 4.385 -0.466 2.227) 4.940 30.758 ( 2.138 -0.185 -2.012) 2.942 30.781 ( 4.716 0.517 -1.045) 4.858 30.899 ( -2.007 -1.048 1.703) 2.833 31.065 ( 5.288 2.121 1.709) 5.948 31.107 ( 9.113 -0.143 -0.881) 9.156 31.467 ( 6.588 -3.106 14.023) 15.802 31.538 ( 18.337 -5.109 -10.489) 21.734 32.341 ( 8.026 2.265 -7.289) 11.076 32.482 ( 4.091 0.432 5.951) 7.234 32.878 ( 1.848 -5.685 -2.019) 6.310 32.970 ( 6.411 -5.384 -1.173) 8.454 33.887 ( -8.657 0.921 -0.347) 8.712 33.948 ( -8.651 4.196 2.169) 9.856 34.282 ( -9.631 -7.581 3.924) 12.869 34.702 ( -3.266 -13.803 -3.812) 14.687 ======================= Grid point 184 (74/88) ======================= q-point: ( 0.30 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( 16.155 -0.407 -1.273) 16.210 1.632 ( 15.758 3.219 -5.625) 17.039 1.818 ( 2.292 -1.729 3.346) 4.409 1.878 ( 6.175 1.603 1.793) 6.627 1.976 ( 0.158 -0.398 -0.954) 1.046 2.205 ( -4.601 -0.708 11.798) 12.684 2.228 ( -0.816 -1.154 2.198) 2.613 2.336 ( -6.366 3.070 -0.866) 7.121 2.439 ( 1.098 -0.102 1.355) 1.747 2.648 ( -3.390 3.844 -1.984) 5.496 2.753 ( 4.793 -5.087 -4.534) 8.331 2.957 ( 9.271 4.663 -2.363) 10.643 3.160 ( 1.219 2.600 -1.923) 3.455 3.210 ( 5.415 5.973 -4.201) 9.091 3.328 ( 3.257 9.247 3.700) 10.478 3.828 ( -4.664 1.228 0.795) 4.887 3.984 ( -8.947 6.615 -3.010) 11.527 4.057 ( 4.364 -4.174 1.372) 6.193 4.286 ( 9.661 1.708 3.464) 10.404 4.355 ( 10.829 1.822 6.625) 12.825 4.546 ( 4.009 -2.523 -1.614) 5.004 4.609 ( 10.595 2.265 1.749) 10.974 4.691 ( 7.467 -1.810 13.273) 15.336 4.728 ( 6.686 -0.935 -7.744) 10.274 4.877 ( 1.704 -1.417 -4.585) 5.093 4.995 ( 4.615 -3.332 -12.896) 14.097 5.117 ( 0.126 -4.592 2.412) 5.188 5.208 ( 6.073 0.558 1.824) 6.365 5.319 ( 5.899 -0.344 -1.228) 6.036 5.385 ( 15.173 0.987 0.770) 15.225 5.450 ( 17.113 0.648 1.661) 17.205 5.547 ( 5.356 -4.485 -2.566) 7.442 5.705 ( 5.262 1.358 -2.779) 6.104 5.838 ( 13.923 2.513 -1.341) 14.212 6.020 ( 15.323 -1.657 -8.281) 17.496 6.110 ( 3.235 3.811 9.681) 10.896 6.235 ( 4.978 -1.588 -3.436) 6.253 6.254 ( 10.907 3.102 0.215) 11.342 6.390 ( -0.859 3.682 -2.053) 4.302 6.493 ( 6.954 0.575 1.067) 7.059 6.704 ( 6.720 0.529 2.877) 7.329 6.946 ( -4.838 2.273 -2.051) 5.725 7.085 ( -5.818 -3.129 1.389) 6.751 7.306 ( -3.054 -3.952 -1.748) 5.291 7.411 ( -4.559 1.602 1.114) 4.959 7.447 ( 2.454 -5.337 1.171) 5.990 7.672 ( -6.620 -6.240 1.726) 9.260 7.784 ( -3.304 -1.717 5.665) 6.779 7.849 ( -6.913 -0.688 -7.321) 10.093 7.970 ( -6.505 -3.570 3.941) 8.401 8.104 ( -3.199 -1.139 6.137) 7.014 8.219 ( -20.531 -1.797 -6.699) 21.671 9.149 ( 0.327 -0.698 0.133) 0.783 9.191 ( -0.779 -1.269 2.974) 3.326 9.327 ( -5.160 1.244 0.511) 5.332 9.477 ( -2.078 1.024 -1.246) 2.631 9.532 ( 4.452 -6.270 3.158) 8.313 9.747 ( 2.223 -3.101 -7.178) 8.129 9.788 ( -0.093 -1.053 0.258) 1.088 9.887 ( 1.033 1.089 1.865) 2.394 10.025 ( -2.654 -7.873 3.385) 8.972 10.123 ( -0.573 2.228 -2.073) 3.096 10.343 ( -1.712 1.189 0.196) 2.093 10.421 ( -5.462 -1.492 1.769) 5.932 10.644 ( 1.416 -0.236 1.653) 2.189 10.852 ( -3.752 -0.116 -0.161) 3.757 10.985 ( 0.162 -2.163 -6.746) 7.087 11.038 ( -3.985 -1.609 5.251) 6.786 11.094 ( -0.050 5.855 4.171) 7.189 11.275 ( -0.933 9.980 -1.420) 10.124 11.377 ( 0.380 5.372 -4.547) 7.048 11.649 ( -6.859 7.839 -3.901) 11.123 12.504 ( -0.302 -0.907 1.277) 1.595 12.606 ( 3.634 0.231 1.102) 3.805 12.691 ( -2.071 -0.493 -1.880) 2.841 12.795 ( 0.518 -0.309 1.158) 1.306 13.558 ( -4.096 -0.632 1.680) 4.472 13.655 ( -3.839 0.850 -0.746) 4.002 13.846 ( -2.504 -6.584 -0.342) 7.052 13.978 ( -2.796 -5.572 2.206) 6.613 14.826 ( 0.426 6.916 -0.941) 6.993 14.881 ( 3.532 -1.625 -1.905) 4.330 15.111 ( 0.891 1.328 -2.322) 2.820 15.202 ( -2.922 0.885 -0.754) 3.145 15.254 ( 5.194 -2.777 7.387) 9.447 15.319 ( 0.274 -2.790 -3.473) 4.463 15.452 ( -1.831 2.439 -0.853) 3.167 15.605 ( 2.643 -2.103 0.138) 3.381 15.616 ( 1.930 3.757 3.095) 5.236 15.729 ( 2.472 6.658 1.631) 7.287 15.773 ( 0.561 1.481 -2.297) 2.791 16.192 ( -6.174 -2.428 -0.775) 6.679 16.532 ( 8.767 2.179 -0.904) 9.079 16.612 ( 1.171 -0.175 -2.343) 2.625 16.772 ( -0.238 -4.243 0.942) 4.353 16.873 ( -1.830 -1.832 2.178) 3.383 17.616 ( -0.063 1.494 2.532) 2.940 17.644 ( 2.428 0.619 -2.784) 3.746 17.770 ( -3.413 -0.627 1.690) 3.860 17.809 ( -3.695 -1.625 -1.812) 4.424 21.855 ( 3.208 4.377 -0.370) 5.440 21.921 ( 3.259 6.094 0.059) 6.911 22.310 ( -5.239 -2.422 -1.581) 5.984 22.410 ( -4.765 -1.680 1.502) 5.271 26.748 ( -1.728 -0.058 -0.392) 1.773 26.781 ( -1.736 0.189 1.231) 2.136 26.860 ( -1.300 1.063 -0.369) 1.719 26.889 ( -3.766 1.188 -0.522) 3.984 28.463 ( 0.906 -0.008 0.472) 1.021 28.511 ( 0.224 1.026 -0.537) 1.179 28.569 ( -1.549 0.958 -0.940) 2.050 28.600 ( -1.356 1.698 0.569) 2.246 29.339 ( -1.127 2.540 -2.990) 4.082 29.543 ( 3.826 -0.431 5.900) 7.045 29.909 ( -5.043 1.375 -3.567) 6.328 30.184 ( -2.170 -2.223 0.649) 3.174 30.735 ( 2.004 -2.015 1.014) 3.018 30.780 ( 2.431 -0.796 -2.315) 3.450 30.829 ( -0.856 0.150 0.163) 0.885 30.869 ( -1.027 1.704 0.993) 2.223 31.157 ( 3.559 3.476 11.821) 12.825 31.370 ( 14.661 -0.896 -5.451) 15.667 31.652 ( 1.464 -2.439 12.616) 12.933 31.735 ( 11.151 -4.725 -11.079) 16.413 32.462 ( 10.126 4.005 -7.205) 13.057 32.603 ( 2.931 2.063 5.802) 6.820 32.910 ( 3.603 -1.782 -2.369) 4.666 33.091 ( 6.714 0.136 -0.316) 6.723 33.668 ( -13.981 1.357 1.227) 14.100 33.783 ( -9.118 2.745 0.352) 9.528 34.183 ( -4.079 -9.205 4.999) 11.242 34.594 ( -2.427 -14.636 -8.455) 17.076 ======================= Grid point 185 (75/88) ======================= q-point: ( 0.40 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.802 ( 11.527 -1.154 2.924) 11.947 1.845 ( 5.682 -1.456 2.344) 6.317 1.871 ( 4.599 -2.855 0.413) 5.429 1.982 ( 2.018 0.361 -1.308) 2.432 2.000 ( 5.395 4.877 0.655) 7.302 2.171 ( -6.638 -0.711 3.907) 7.735 2.204 ( -2.668 5.953 -0.466) 6.540 2.228 ( -4.113 -4.201 2.482) 6.382 2.461 ( 1.301 1.281 -0.894) 2.033 2.545 ( -4.555 7.431 -0.672) 8.742 2.812 ( 2.445 -0.821 2.906) 3.885 3.053 ( 3.819 3.181 -6.253) 7.987 3.142 ( 0.157 1.951 -3.405) 3.927 3.249 ( 0.242 1.538 -2.676) 3.096 3.425 ( 3.552 9.606 2.398) 10.519 3.722 ( -7.246 6.557 -0.020) 9.772 3.866 ( 2.299 4.963 4.155) 6.869 4.260 ( 10.684 -4.461 3.418) 12.072 4.358 ( -8.799 0.233 0.334) 8.809 4.501 ( 5.325 0.255 2.739) 5.994 4.664 ( 7.485 -6.854 -0.168) 10.150 4.767 ( -0.161 -4.827 9.534) 10.687 4.789 ( 5.557 -0.335 -4.672) 7.268 4.888 ( 5.321 0.755 -11.604) 12.788 4.966 ( 7.926 1.263 1.607) 8.185 4.994 ( 4.394 0.900 1.847) 4.851 5.140 ( 3.441 -2.496 -2.387) 4.875 5.263 ( 0.389 1.223 -0.821) 1.523 5.382 ( 3.080 -0.400 0.849) 3.219 5.556 ( -1.534 -2.177 -4.723) 5.422 5.625 ( 7.105 2.969 0.818) 7.744 5.690 ( 5.885 1.791 -1.923) 6.445 5.837 ( 7.140 3.642 3.452) 8.727 6.034 ( 6.897 3.171 -5.314) 9.267 6.257 ( 4.513 0.713 0.125) 4.571 6.274 ( 13.197 -2.731 -0.258) 13.479 6.352 ( 5.703 0.352 3.723) 6.820 6.412 ( 11.872 -3.135 -0.540) 12.291 6.480 ( 10.398 -1.583 1.589) 10.637 6.640 ( 5.127 0.504 0.624) 5.189 6.818 ( -1.599 0.452 2.803) 3.259 6.857 ( -1.723 1.941 -0.213) 2.604 6.957 ( -7.294 -4.738 -1.566) 8.837 7.159 ( -12.065 -0.371 -3.838) 12.666 7.246 ( 2.503 3.047 -4.975) 6.348 7.511 ( -10.785 -1.911 0.887) 10.989 7.627 ( 2.367 -6.413 6.557) 9.472 7.663 ( -7.068 -1.842 1.403) 7.437 7.717 ( -5.034 -1.322 -3.684) 6.377 7.832 ( -10.290 0.102 -4.196) 11.113 7.944 ( 0.608 0.297 5.648) 5.689 8.121 ( -1.738 -2.807 1.564) 3.653 9.161 ( 1.429 0.790 -1.245) 2.053 9.217 ( 0.130 0.135 3.895) 3.899 9.242 ( -3.293 1.434 0.653) 3.650 9.410 ( -4.737 -0.165 -0.618) 4.780 9.636 ( 2.904 -6.638 3.260) 7.945 9.718 ( 1.547 -5.160 -6.727) 8.618 9.787 ( 3.486 -3.660 -6.371) 8.132 9.885 ( -4.920 -4.508 6.857) 9.567 10.059 ( 3.682 -1.025 1.050) 3.963 10.120 ( 0.377 1.108 0.488) 1.268 10.332 ( -0.433 1.537 -0.259) 1.618 10.339 ( -4.162 -1.836 2.086) 5.004 10.678 ( 0.851 -0.649 1.392) 1.755 10.772 ( -3.281 1.204 -1.460) 3.788 10.962 ( 2.677 -2.497 -5.507) 6.613 11.008 ( -3.427 -2.314 4.722) 6.276 11.137 ( -0.202 5.692 6.319) 8.507 11.240 ( -0.699 9.890 -4.193) 10.765 11.358 ( 0.843 5.140 -1.846) 5.526 11.494 ( -5.370 6.412 -3.868) 9.214 12.514 ( 0.301 -0.184 2.390) 2.416 12.623 ( -2.112 -1.895 -2.954) 4.096 12.689 ( 3.432 1.245 0.451) 3.679 12.793 ( -1.339 0.034 0.378) 1.392 13.517 ( -1.980 -0.158 2.823) 3.452 13.581 ( -2.532 0.706 -2.245) 3.457 13.828 ( 0.522 -6.063 0.539) 6.109 13.930 ( -3.228 -6.268 0.436) 7.064 14.843 ( 2.865 5.508 -1.030) 6.294 14.962 ( 3.428 1.491 0.358) 3.756 15.109 ( -2.519 0.040 -0.483) 2.565 15.147 ( 1.206 3.114 -0.547) 3.384 15.259 ( -1.856 -0.535 -4.063) 4.498 15.320 ( -2.759 2.210 0.574) 3.581 15.485 ( 3.739 -1.220 5.291) 6.593 15.623 ( 0.849 0.097 -1.307) 1.561 15.701 ( 1.728 -0.041 3.961) 4.321 15.755 ( 0.147 2.165 -0.753) 2.297 15.804 ( 3.729 -0.318 -0.404) 3.765 16.047 ( -7.103 -2.034 -1.981) 7.649 16.630 ( 1.926 -1.742 -0.255) 2.609 16.663 ( 5.117 2.017 -2.681) 6.119 16.769 ( 0.560 -4.007 0.307) 4.058 16.856 ( -2.119 -1.179 2.134) 3.231 17.642 ( 0.426 0.480 2.593) 2.671 17.656 ( 1.540 0.708 -3.149) 3.577 17.725 ( -3.217 0.387 2.490) 4.086 17.735 ( -1.983 -1.242 -2.079) 3.130 21.925 ( 3.995 2.941 0.282) 4.969 21.996 ( 3.648 3.724 -0.124) 5.215 22.209 ( -3.788 -1.697 -0.204) 4.156 22.315 ( -5.503 -1.087 -0.111) 5.611 26.721 ( -0.534 0.379 -0.535) 0.846 26.749 ( -2.484 0.542 1.432) 2.918 26.836 ( -0.367 0.236 -1.055) 1.142 26.847 ( -1.148 0.333 0.500) 1.296 28.478 ( 0.821 0.427 -0.694) 1.157 28.504 ( -0.410 1.128 -0.479) 1.292 28.554 ( 0.035 1.116 0.348) 1.170 28.580 ( -1.223 1.742 0.676) 2.233 29.343 ( 2.643 2.981 0.100) 3.985 29.560 ( -3.290 -0.425 -3.670) 4.947 29.867 ( 0.935 1.242 5.212) 5.439 30.101 ( -5.176 -2.430 -2.012) 6.062 30.767 ( 1.352 -1.123 -0.540) 1.838 30.807 ( -1.269 0.874 0.651) 1.673 30.811 ( 1.678 -0.213 -0.403) 1.739 30.852 ( -1.121 1.490 0.153) 1.871 31.356 ( 3.376 1.928 16.994) 17.433 31.535 ( 8.236 -1.517 -9.421) 12.605 31.745 ( -1.207 -1.914 10.279) 10.525 31.796 ( 5.497 -3.588 -11.858) 13.554 32.591 ( 8.797 5.887 -7.226) 12.816 32.673 ( -0.786 4.780 5.878) 7.617 32.988 ( 6.477 1.319 -1.942) 6.890 33.220 ( 6.241 3.548 -1.593) 7.354 33.411 ( -12.448 0.038 3.301) 12.879 33.606 ( -9.255 1.270 -0.145) 9.343 34.208 ( 1.157 -11.632 7.529) 13.904 34.470 ( -2.478 -14.673 -10.508) 18.217 ======================= Grid point 186 (76/88) ======================= q-point: (-0.50 0.17 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( -0.212 -2.843 -4.654) 5.458 1.890 ( 0.212 -2.843 4.654) 5.458 2.031 ( -6.284 0.543 -2.363) 6.736 2.031 ( 6.284 0.543 2.363) 6.736 2.062 ( -0.580 3.006 -3.985) 5.026 2.062 ( 0.580 3.006 3.985) 5.026 2.169 ( 2.388 -0.857 -2.989) 3.921 2.169 ( -2.388 -0.857 2.989) 3.921 2.485 ( 2.018 5.599 -0.922) 6.023 2.485 ( -2.018 5.599 0.922) 6.023 2.928 ( -3.545 2.122 -9.568) 10.422 2.928 ( 3.545 2.122 9.568) 10.422 3.206 ( -1.899 -1.012 -1.507) 2.627 3.206 ( 1.899 -1.012 1.507) 2.627 3.544 ( -7.117 11.374 -2.991) 13.747 3.544 ( 7.117 11.374 2.991) 13.747 4.094 ( -12.566 0.749 -5.717) 13.826 4.094 ( 12.566 0.749 5.717) 13.826 4.489 ( -5.898 -3.269 -1.751) 6.967 4.489 ( 5.898 -3.269 1.751) 6.967 4.767 ( 3.657 -5.465 -6.155) 9.006 4.767 ( -3.657 -5.465 6.155) 9.006 4.843 ( 0.619 -0.655 -7.426) 7.480 4.843 ( -0.619 -0.655 7.426) 7.480 5.078 ( 5.088 1.392 -9.113) 10.530 5.078 ( -5.088 1.392 9.113) 10.529 5.211 ( 3.282 1.366 -6.718) 7.601 5.211 ( -3.282 1.366 6.718) 7.601 5.458 ( -3.274 0.216 -3.106) 4.518 5.458 ( 3.274 0.216 3.106) 4.518 5.709 ( 1.277 2.349 -4.730) 5.433 5.709 ( -1.277 2.349 4.730) 5.433 5.985 ( -3.258 3.079 -8.139) 9.292 5.985 ( 3.258 3.079 8.139) 9.292 6.368 ( -3.736 -0.703 0.959) 3.921 6.368 ( 3.736 -0.703 -0.959) 3.921 6.519 ( 1.633 -5.594 -5.547) 8.046 6.519 ( -1.633 -5.594 5.547) 8.046 6.705 ( 2.083 -0.753 -4.383) 4.911 6.705 ( -2.083 -0.753 4.383) 4.911 6.750 ( -9.192 -2.172 -3.622) 10.116 6.750 ( 9.192 -2.172 3.622) 10.116 6.938 ( 3.388 1.797 -3.738) 5.355 6.938 ( -3.388 1.797 3.738) 5.355 7.323 ( -8.212 3.052 2.679) 9.161 7.323 ( 8.212 3.052 -2.679) 9.161 7.623 ( -0.407 -0.159 -3.818) 3.843 7.623 ( 0.407 -0.159 3.818) 3.843 7.687 ( -2.092 -3.013 -2.952) 4.709 7.687 ( 2.092 -3.013 2.952) 4.709 8.055 ( -4.211 -3.099 -3.423) 6.249 8.055 ( 4.211 -3.099 3.423) 6.249 9.185 ( 2.406 2.372 -1.608) 3.741 9.185 ( -2.406 2.372 1.608) 3.741 9.300 ( -4.217 -1.117 -2.987) 5.288 9.300 ( 4.217 -1.117 2.987) 5.288 9.692 ( 2.658 -5.918 -7.460) 9.886 9.692 ( -2.658 -5.918 7.460) 9.886 9.832 ( 6.550 -5.364 -8.987) 12.347 9.832 ( -6.550 -5.364 8.987) 12.347 10.119 ( 0.426 0.661 -0.748) 1.085 10.119 ( -0.426 0.661 0.748) 1.085 10.314 ( 1.791 -0.209 -4.231) 4.599 10.314 ( -1.791 -0.209 4.231) 4.599 10.711 ( -0.373 0.386 -3.334) 3.377 10.711 ( 0.373 0.386 3.334) 3.377 10.983 ( 3.445 -2.727 -5.436) 6.990 10.983 ( -3.445 -2.727 5.436) 6.990 11.186 ( 0.161 7.348 -6.673) 9.928 11.186 ( -0.161 7.348 6.673) 9.928 11.391 ( -1.913 6.261 -2.088) 6.871 11.391 ( 1.913 6.261 2.088) 6.871 12.558 ( -1.586 -0.708 -3.459) 3.871 12.558 ( 1.586 -0.708 3.459) 3.871 12.753 ( -2.735 0.426 -0.223) 2.777 12.753 ( 2.735 0.426 0.223) 2.777 13.528 ( -0.503 0.361 -3.069) 3.130 13.528 ( 0.503 0.361 3.069) 3.130 13.868 ( -0.326 -5.971 -2.942) 6.664 13.868 ( 0.326 -5.971 2.942) 6.664 14.923 ( -3.347 2.827 -2.837) 5.219 14.923 ( 3.347 2.827 2.837) 5.219 15.136 ( -2.126 2.259 -3.749) 4.865 15.136 ( 2.126 2.259 3.749) 4.865 15.248 ( -1.339 1.985 -1.438) 2.793 15.248 ( 1.339 1.985 1.438) 2.793 15.592 ( -1.740 -1.076 -4.213) 4.684 15.592 ( 1.740 -1.076 4.213) 4.684 15.742 ( 0.276 -0.010 -3.351) 3.362 15.742 ( -0.276 -0.010 3.351) 3.362 15.904 ( -5.710 -0.951 -1.375) 5.950 15.904 ( 5.710 -0.951 1.375) 5.950 16.670 ( -0.660 -1.510 -2.211) 2.758 16.670 ( 0.660 -1.510 2.211) 2.758 16.817 ( -2.800 -1.453 0.666) 3.224 16.817 ( 2.800 -1.453 -0.666) 3.224 17.660 ( 1.805 0.410 -3.466) 3.930 17.660 ( -1.805 0.410 3.466) 3.930 17.702 ( 0.340 -0.042 -2.092) 2.119 17.702 ( -0.340 -0.042 2.092) 2.119 22.002 ( -2.043 2.096 -1.667) 3.369 22.002 ( 2.043 2.096 1.667) 3.369 22.212 ( -3.447 -0.556 -1.532) 3.813 22.212 ( 3.447 -0.556 1.532) 3.813 26.721 ( 0.956 0.601 -1.494) 1.873 26.721 ( -0.956 0.601 1.494) 1.873 26.834 ( 0.512 0.077 -0.943) 1.076 26.834 ( -0.512 0.077 0.943) 1.076 28.490 ( 0.383 1.022 -0.904) 1.417 28.490 ( -0.383 1.022 0.904) 1.417 28.564 ( 0.489 1.324 -1.285) 1.909 28.564 ( -0.489 1.324 1.285) 1.909 29.435 ( -5.011 1.882 -3.436) 6.360 29.435 ( 5.011 1.882 3.436) 6.360 29.974 ( -4.589 -1.226 -4.970) 6.875 29.974 ( 4.589 -1.226 4.970) 6.875 30.787 ( 1.508 0.660 -0.984) 1.918 30.787 ( -1.508 0.660 0.984) 1.918 30.834 ( -0.759 0.354 -0.215) 0.865 30.834 ( 0.759 0.354 0.215) 0.865 31.521 ( 1.162 -0.711 -15.574) 15.633 31.521 ( -1.162 -0.711 15.574) 15.633 31.784 ( 3.207 -2.072 -10.389) 11.068 31.784 ( -3.207 -2.072 10.389) 11.068 32.669 ( 4.924 6.497 -6.492) 10.421 32.669 ( -4.924 6.497 6.492) 10.421 33.135 ( -6.268 3.391 -0.810) 7.172 33.135 ( 6.268 3.391 0.810) 7.172 33.431 ( -7.956 -0.091 -1.016) 8.021 33.431 ( 7.956 -0.091 1.016) 8.021 34.329 ( -2.758 -13.641 -10.512) 17.441 34.329 ( 2.758 -13.641 10.512) 17.441 ======================= Grid point 192 (77/88) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( -2.461 11.243 -2.373) 11.752 1.388 ( 2.461 11.243 2.373) 11.752 1.619 ( -2.681 15.721 -5.090) 16.740 1.619 ( 2.681 15.721 5.090) 16.740 1.987 ( 4.025 -1.423 -7.142) 8.320 1.987 ( -4.025 -1.423 7.142) 8.320 2.134 ( -1.144 -1.946 -6.111) 6.515 2.134 ( 1.144 -1.946 6.111) 6.515 2.250 ( 2.866 -0.017 -11.962) 12.301 2.250 ( -2.866 -0.017 11.962) 12.301 2.784 ( -0.593 -9.399 -5.376) 10.844 2.784 ( 0.593 -9.399 5.376) 10.844 3.186 ( -1.373 7.688 -8.496) 11.540 3.186 ( 1.373 7.688 8.496) 11.540 3.569 ( -3.819 -1.758 -9.144) 10.064 3.569 ( 3.819 -1.758 9.144) 10.064 3.794 ( -4.042 0.928 -0.734) 4.211 3.794 ( 4.042 0.928 0.734) 4.211 4.144 ( -4.916 1.649 0.395) 5.200 4.144 ( 4.916 1.649 -0.395) 5.200 4.267 ( -0.658 5.995 -4.214) 7.357 4.267 ( 0.658 5.995 4.214) 7.357 4.453 ( 4.690 0.866 -2.080) 5.203 4.453 ( -4.690 0.866 2.080) 5.203 4.572 ( 0.086 0.395 -2.886) 2.914 4.572 ( -0.086 0.395 2.886) 2.914 4.844 ( 2.421 -6.434 -8.717) 11.101 4.844 ( -2.421 -6.434 8.717) 11.101 5.005 ( 4.087 0.083 -3.650) 5.480 5.005 ( -4.087 0.083 3.650) 5.480 5.224 ( 0.528 -1.454 -7.452) 7.611 5.224 ( -0.528 -1.454 7.452) 7.611 5.392 ( -2.096 2.422 -6.430) 7.183 5.392 ( 2.096 2.422 6.430) 7.183 5.657 ( -4.136 -7.807 -4.687) 10.001 5.657 ( 4.136 -7.807 4.687) 10.001 6.122 ( -1.746 7.342 -6.008) 9.647 6.122 ( 1.746 7.342 6.008) 9.647 6.527 ( -2.564 1.584 -3.365) 4.518 6.527 ( 2.564 1.584 3.365) 4.518 6.884 ( -4.327 0.740 -7.534) 8.720 6.884 ( 4.327 0.740 7.534) 8.720 7.224 ( -0.854 0.217 -3.003) 3.129 7.224 ( 0.854 0.217 3.003) 3.129 7.610 ( -4.791 0.229 -9.111) 10.296 7.610 ( 4.791 0.229 9.111) 10.296 7.731 ( -3.623 -1.115 -4.635) 5.988 7.731 ( 3.623 -1.115 4.635) 5.988 7.944 ( 3.951 -3.684 -5.852) 7.964 7.944 ( -3.951 -3.684 5.852) 7.964 8.509 ( -3.558 -14.206 -9.950) 17.705 8.509 ( 3.558 -14.206 9.950) 17.705 9.181 ( 1.413 -4.490 -2.897) 5.526 9.181 ( -1.413 -4.490 2.897) 5.526 9.340 ( -0.863 -3.569 -0.971) 3.798 9.340 ( 0.863 -3.569 0.971) 3.798 9.690 ( -0.500 3.166 -3.066) 4.436 9.690 ( 0.500 3.166 3.066) 4.436 9.826 ( 2.928 -3.675 -4.471) 6.486 9.826 ( -2.928 -3.675 4.471) 6.486 10.122 ( -2.569 4.776 -2.196) 5.851 10.122 ( 2.569 4.776 2.196) 5.851 10.503 ( -2.701 -5.510 -1.898) 6.423 10.503 ( 2.701 -5.510 1.898) 6.423 10.936 ( -0.558 5.170 -2.423) 5.737 10.936 ( 0.558 5.170 2.423) 5.737 11.142 ( -5.327 -0.243 -1.152) 5.456 11.142 ( 5.327 -0.243 1.152) 5.456 11.279 ( 6.266 4.670 -3.856) 8.714 11.279 ( -6.266 4.670 3.856) 8.714 11.863 ( -5.346 2.805 -2.499) 6.534 11.863 ( 5.346 2.805 2.499) 6.534 12.424 ( -2.579 3.580 -1.537) 4.672 12.424 ( 2.579 3.580 1.537) 4.672 12.704 ( -0.179 -2.117 -1.236) 2.458 12.704 ( 0.179 -2.117 1.236) 2.458 13.830 ( -1.722 0.428 -3.117) 3.586 13.830 ( 1.722 0.428 3.117) 3.586 14.076 ( 0.734 -0.396 -2.822) 2.943 14.076 ( -0.734 -0.396 2.822) 2.943 14.813 ( 1.423 -2.555 -2.043) 3.568 14.813 ( -1.423 -2.555 2.043) 3.568 15.081 ( -6.099 3.230 -0.465) 6.917 15.081 ( 6.099 3.230 0.465) 6.917 15.190 ( -7.395 -2.239 -2.307) 8.063 15.190 ( 7.395 -2.239 2.307) 8.063 15.402 ( -2.070 -0.353 -0.903) 2.286 15.402 ( 2.070 -0.353 0.903) 2.286 15.714 ( -0.262 2.303 -2.057) 3.099 15.714 ( 0.262 2.303 2.057) 3.099 16.128 ( -2.924 0.094 -1.135) 3.138 16.128 ( 2.924 0.094 1.135) 3.138 16.466 ( 1.495 4.822 -2.851) 5.798 16.466 ( -1.495 4.822 2.851) 5.798 16.702 ( -4.583 -5.958 -4.104) 8.564 16.702 ( 4.583 -5.958 4.104) 8.564 17.664 ( 0.393 4.615 -3.405) 5.748 17.664 ( -0.393 4.615 3.405) 5.748 17.896 ( 1.048 -3.787 -2.512) 4.663 17.896 ( -1.048 -3.787 2.512) 4.663 22.042 ( -0.975 8.598 -1.284) 8.748 22.042 ( 0.975 8.598 1.284) 8.748 22.541 ( 0.024 -1.228 -1.905) 2.266 22.541 ( -0.024 -1.228 1.905) 2.266 26.822 ( -0.177 -0.112 -0.418) 0.468 26.822 ( 0.177 -0.112 0.418) 0.468 27.182 ( 0.012 0.655 -5.424) 5.463 27.182 ( -0.012 0.655 5.424) 5.463 28.468 ( -1.002 -0.258 -0.618) 1.206 28.468 ( 1.002 -0.258 0.618) 1.206 28.672 ( -0.370 1.261 -1.511) 2.002 28.672 ( 0.370 1.261 1.511) 2.002 29.581 ( -12.479 0.002 -2.809) 12.791 29.581 ( 12.479 0.002 2.809) 12.791 29.875 ( -7.038 -1.169 -2.731) 7.639 29.875 ( 7.038 -1.169 2.731) 7.639 30.581 ( -1.867 0.207 -0.270) 1.898 30.581 ( 1.867 0.207 0.270) 1.898 30.697 ( -1.056 1.497 -2.433) 3.045 30.697 ( 1.056 1.497 2.433) 3.045 30.859 ( -4.104 -4.308 -3.706) 7.010 30.859 ( 4.104 -4.308 3.706) 7.010 31.177 ( -1.702 -0.140 -0.310) 1.736 31.177 ( 1.702 -0.140 0.310) 1.736 32.316 ( 0.828 2.213 -5.966) 6.417 32.316 ( -0.828 2.213 5.966) 6.417 32.612 ( 1.536 -10.401 -6.614) 12.421 32.612 ( -1.536 -10.401 6.614) 12.421 34.173 ( 0.494 5.224 -5.086) 7.307 34.173 ( -0.494 5.224 5.086) 7.307 34.470 ( 0.827 -7.973 -9.537) 12.458 34.470 ( -0.827 -7.973 9.537) 12.458 ======================= Grid point 194 (78/88) ======================= q-point: ( 0.10 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( 3.642 6.467 -3.612) 8.254 1.467 ( -0.333 8.051 -6.978) 10.660 1.574 ( 5.702 17.981 3.070) 19.111 1.786 ( 8.802 8.062 -3.867) 12.547 1.962 ( 0.288 -4.524 -2.115) 5.002 2.007 ( 3.428 1.479 -6.621) 7.601 2.130 ( 1.651 -2.468 1.161) 3.188 2.215 ( 2.279 -4.149 8.175) 9.447 2.309 ( 7.669 2.141 2.720) 8.414 2.330 ( 6.554 1.770 2.028) 7.086 2.728 ( 0.247 -8.053 -6.599) 10.414 2.808 ( -1.058 -6.620 -0.378) 6.714 3.145 ( 3.748 6.897 -4.967) 9.289 3.281 ( 1.134 1.953 5.113) 5.589 3.488 ( 0.754 6.017 -3.649) 7.077 3.758 ( 3.697 -4.750 7.646) 9.731 3.770 ( 6.757 3.572 0.233) 7.646 3.893 ( 7.167 -1.387 -2.562) 7.736 4.062 ( -3.931 6.461 1.898) 7.797 4.264 ( 3.113 9.374 -3.794) 10.581 4.302 ( 8.771 -1.091 -0.608) 8.859 4.385 ( 6.288 1.482 0.336) 6.469 4.508 ( 9.464 1.403 5.231) 10.904 4.566 ( 11.072 -3.812 3.776) 12.303 4.580 ( 6.566 -0.842 -6.432) 9.230 4.735 ( 6.158 -0.478 5.374) 8.188 4.801 ( -3.273 -0.571 3.103) 4.546 4.874 ( 5.478 -5.740 -1.919) 8.163 4.934 ( -4.442 8.786 -0.709) 9.871 5.120 ( 6.013 -2.181 -1.287) 6.525 5.167 ( 1.010 -4.060 1.855) 4.576 5.271 ( 0.905 -3.530 -5.855) 6.896 5.398 ( 3.980 -1.282 1.098) 4.323 5.573 ( 5.680 -1.779 1.761) 6.207 5.642 ( 11.435 -2.916 -2.735) 12.113 5.828 ( 10.676 -3.597 1.165) 11.325 6.033 ( -0.907 6.774 -3.164) 7.532 6.164 ( -2.159 3.141 2.601) 4.614 6.492 ( 2.928 3.402 -2.016) 4.921 6.588 ( 0.581 6.126 -4.830) 7.822 6.714 ( -5.442 -0.583 -4.214) 6.907 6.986 ( 0.933 -3.840 2.337) 4.591 7.174 ( -2.202 -0.727 -0.260) 2.334 7.265 ( 1.683 2.045 2.625) 3.729 7.436 ( -4.622 0.142 -6.006) 7.580 7.557 ( -8.166 -2.742 -3.622) 9.345 7.733 ( -2.438 -0.573 2.487) 3.529 7.805 ( 0.012 0.568 5.080) 5.112 7.916 ( -1.437 -3.145 8.793) 9.449 8.001 ( 1.580 -3.032 1.082) 3.586 8.302 ( -8.546 -8.347 -9.335) 15.160 8.582 ( -3.934 -16.216 6.794) 18.016 9.159 ( -2.030 -3.814 0.277) 4.330 9.172 ( 0.341 -3.185 -2.946) 4.352 9.327 ( -0.314 -3.045 1.120) 3.260 9.373 ( 1.131 -5.456 1.772) 5.847 9.607 ( -4.287 6.027 -0.791) 7.439 9.720 ( 0.937 0.082 -2.719) 2.877 9.796 ( -3.199 -2.281 3.340) 5.157 9.836 ( 0.690 -5.394 -2.003) 5.796 10.059 ( -2.152 4.839 -0.959) 5.382 10.206 ( 4.223 6.372 1.014) 7.712 10.416 ( -4.551 -6.375 -1.417) 7.960 10.557 ( 1.264 -3.709 0.192) 3.923 10.841 ( -7.274 7.333 0.132) 10.329 10.926 ( -3.109 2.450 1.146) 4.121 11.041 ( -5.529 -0.990 1.488) 5.811 11.084 ( -5.195 -1.966 0.281) 5.562 11.295 ( 2.975 6.784 1.646) 7.588 11.438 ( 8.862 4.875 -4.198) 10.951 11.688 ( -9.374 7.378 -3.077) 12.320 11.921 ( -0.077 -2.085 0.534) 2.154 12.412 ( 1.572 3.628 0.569) 3.994 12.501 ( 2.677 0.215 1.693) 3.174 12.706 ( 1.403 -1.203 -0.156) 1.854 12.718 ( 0.335 -1.724 0.384) 1.798 13.745 ( -4.732 1.335 -1.549) 5.155 13.858 ( -1.433 -0.385 2.378) 2.803 13.955 ( -9.634 -1.271 0.984) 9.768 14.022 ( -5.607 -1.488 -0.678) 5.840 14.787 ( -0.848 -1.864 2.760) 3.437 14.834 ( 0.304 -4.272 -1.892) 4.682 15.028 ( 0.004 1.276 0.820) 1.517 15.063 ( -1.654 -0.312 0.043) 1.683 15.206 ( 4.125 3.304 0.673) 5.328 15.321 ( 4.701 -1.611 0.174) 4.973 15.379 ( 0.263 0.828 -0.989) 1.316 15.476 ( 3.872 -0.501 0.648) 3.958 15.700 ( 0.241 2.979 -0.526) 3.035 15.745 ( 0.248 2.380 2.145) 3.214 16.110 ( 0.304 4.383 -1.669) 4.700 16.230 ( 6.289 -2.479 -0.894) 6.819 16.396 ( -6.112 7.068 1.239) 9.426 16.512 ( 3.548 1.467 2.895) 4.808 16.614 ( -0.413 -4.437 -3.185) 5.477 16.808 ( 1.329 -7.161 4.963) 8.814 17.640 ( 0.242 4.343 -2.968) 5.265 17.675 ( -1.399 4.049 3.531) 5.551 17.850 ( -2.937 -3.007 -0.133) 4.206 17.888 ( -1.423 -4.324 -1.268) 4.726 22.004 ( -1.709 9.376 -0.658) 9.553 22.061 ( 0.049 7.741 0.469) 7.755 22.474 ( -4.706 -1.842 -1.236) 5.202 22.509 ( -3.996 -2.035 0.518) 4.514 26.806 ( -0.767 -0.019 -0.660) 1.013 26.815 ( -0.897 -0.305 -0.324) 1.002 27.086 ( -5.486 2.916 -1.490) 6.389 27.160 ( -6.310 0.325 2.913) 6.957 28.450 ( -0.238 0.789 -0.137) 0.835 28.491 ( 0.835 -0.799 0.276) 1.188 28.658 ( -0.809 1.660 0.336) 1.877 28.688 ( -1.187 0.405 1.872) 2.253 29.365 ( -3.441 4.954 -0.968) 6.109 29.580 ( -6.691 -3.829 -3.690) 8.547 29.953 ( 10.402 -0.175 -0.820) 10.436 30.025 ( 5.360 -2.482 -1.412) 6.074 30.593 ( 3.450 1.756 -0.189) 3.875 30.678 ( 5.965 -1.058 -0.492) 6.078 30.717 ( 3.373 0.334 -0.339) 3.406 30.823 ( 8.267 -2.775 -3.789) 9.508 30.860 ( 5.604 2.301 4.347) 7.456 31.081 ( 14.162 -6.894 -0.508) 15.759 31.141 ( 0.780 1.557 -0.175) 1.750 31.218 ( 3.594 -2.174 1.450) 4.443 32.324 ( 5.403 3.345 -6.537) 9.117 32.386 ( 2.907 2.308 5.864) 6.940 32.636 ( 7.414 -10.757 -7.682) 15.156 32.665 ( 2.736 -9.715 3.026) 10.537 34.084 ( -5.587 4.062 -2.740) 7.431 34.162 ( -4.816 5.450 3.578) 8.106 34.321 ( -8.514 -5.683 -1.956) 10.422 34.515 ( -2.679 -10.191 3.331) 11.052 ======================= Grid point 195 (79/88) ======================= q-point: ( 0.20 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( 4.739 6.434 -5.972) 9.976 1.476 ( 10.393 4.461 -5.231) 12.461 1.751 ( 9.080 6.932 1.858) 11.574 1.823 ( 0.148 3.549 -2.699) 4.461 1.953 ( 1.983 -1.961 -4.441) 5.244 2.074 ( 4.876 -5.179 -1.856) 7.351 2.166 ( -3.135 -1.595 11.849) 12.360 2.373 ( 2.252 -5.543 7.715) 9.763 2.406 ( 2.649 4.407 2.943) 5.924 2.575 ( 12.111 -1.811 -4.944) 13.205 2.707 ( 2.478 -3.777 -3.759) 5.877 2.775 ( 3.910 -0.975 -4.604) 6.119 3.239 ( 8.217 7.911 -2.654) 11.711 3.313 ( 0.649 1.438 0.461) 1.644 3.520 ( 3.093 11.451 2.264) 12.076 3.839 ( -0.462 4.424 5.321) 6.935 3.944 ( 5.937 -0.988 -1.617) 6.232 4.035 ( 7.355 0.253 0.936) 7.418 4.114 ( 9.811 -0.591 4.179) 10.681 4.292 ( 1.413 4.370 -6.750) 8.164 4.379 ( 1.860 -1.942 3.327) 4.278 4.474 ( 4.496 -0.743 -5.360) 7.035 4.645 ( 3.887 1.694 -2.667) 5.009 4.760 ( 8.776 -0.852 -3.649) 9.542 4.787 ( 0.367 7.263 0.584) 7.296 4.864 ( 9.145 -1.245 5.112) 10.551 4.904 ( 11.021 -4.301 2.624) 12.118 4.994 ( 13.968 2.808 0.676) 14.263 5.076 ( 8.427 -4.342 5.948) 11.192 5.156 ( 5.057 -2.760 -2.449) 6.260 5.203 ( 4.771 2.551 1.932) 5.745 5.349 ( 7.902 -6.036 0.259) 9.947 5.502 ( 7.905 -2.107 -5.075) 9.627 5.645 ( 5.523 -5.886 -0.521) 8.088 5.872 ( 12.221 5.062 -10.351) 16.797 6.056 ( 12.539 0.244 0.388) 12.547 6.126 ( 10.368 0.477 -3.069) 10.823 6.159 ( 1.437 2.897 5.560) 6.432 6.437 ( -5.539 8.113 -2.827) 10.222 6.601 ( 5.992 5.030 -0.142) 7.824 6.646 ( -2.190 1.109 -1.938) 3.128 6.970 ( -1.945 -7.483 1.497) 7.875 7.122 ( -5.119 0.083 -0.315) 5.130 7.324 ( -1.519 4.533 3.342) 5.833 7.351 ( 0.551 -6.373 -6.867) 9.385 7.404 ( -2.630 -6.272 1.650) 6.998 7.644 ( -7.176 -0.353 2.009) 7.460 7.790 ( -4.508 -1.746 5.361) 7.218 7.966 ( -2.068 0.980 1.397) 2.681 8.029 ( -1.882 -3.062 6.626) 7.538 8.075 ( -7.033 -1.635 -3.759) 8.140 8.448 ( -13.079 -13.163 0.779) 18.573 9.125 ( -0.973 -1.604 -0.052) 1.877 9.164 ( 1.059 -1.411 -1.270) 2.173 9.343 ( 0.616 -3.174 1.848) 3.725 9.399 ( -0.646 -5.019 1.820) 5.378 9.535 ( -2.447 5.503 0.057) 6.023 9.694 ( -0.168 -2.402 -4.321) 4.947 9.760 ( -1.482 -2.816 -1.232) 3.412 9.824 ( -1.903 -6.593 2.108) 7.179 10.029 ( -0.496 6.069 0.080) 6.090 10.268 ( 0.010 7.274 -3.773) 8.194 10.315 ( -3.167 -5.434 3.045) 6.988 10.551 ( -3.660 -2.885 -1.339) 4.849 10.683 ( -5.703 6.189 1.296) 8.515 10.857 ( -4.482 -2.399 1.010) 5.183 10.986 ( -0.356 -0.895 0.304) 1.010 11.036 ( -2.402 -2.416 0.754) 3.489 11.300 ( -3.357 9.341 1.930) 10.112 11.497 ( -5.973 4.477 -2.102) 7.755 11.535 ( 3.424 9.006 -4.168) 10.497 11.885 ( -3.299 -1.788 -1.684) 4.113 12.460 ( 2.097 1.017 0.613) 2.410 12.541 ( 1.021 -1.432 0.794) 1.929 12.719 ( 0.049 -0.363 -0.816) 0.894 12.751 ( 2.004 -0.516 1.563) 2.594 13.638 ( -5.632 0.958 0.809) 5.769 13.776 ( -7.433 0.161 0.051) 7.435 13.810 ( -5.167 -3.292 0.486) 6.146 13.921 ( -3.712 -3.913 -0.357) 5.405 14.808 ( 0.857 -0.674 2.100) 2.367 14.861 ( 3.313 -3.204 1.016) 4.720 15.022 ( 0.378 1.990 2.042) 2.876 15.138 ( 4.857 -4.358 0.735) 6.567 15.249 ( 1.211 3.293 -0.991) 3.646 15.361 ( -0.851 5.884 -1.608) 6.159 15.408 ( 4.423 -4.118 -1.029) 6.130 15.537 ( 2.206 0.620 -0.071) 2.292 15.709 ( 1.047 3.629 -0.784) 3.858 15.751 ( -0.641 1.731 0.934) 2.068 16.029 ( -6.288 9.717 -1.783) 11.711 16.261 ( -5.478 -2.346 0.290) 5.966 16.398 ( 8.512 3.098 0.607) 9.079 16.595 ( 0.307 -2.972 -2.637) 3.985 16.643 ( 4.701 -0.953 3.705) 6.061 16.826 ( -1.881 -5.684 2.446) 6.468 17.637 ( 1.703 2.362 -2.437) 3.797 17.669 ( -1.902 3.370 3.151) 4.991 17.793 ( -2.621 -2.359 -0.399) 3.548 17.833 ( -3.036 -3.668 -0.654) 4.806 21.974 ( -0.765 8.584 -0.428) 8.629 22.058 ( -0.030 7.585 -0.568) 7.606 22.361 ( -5.702 -3.077 -1.090) 6.570 22.428 ( -4.441 -3.354 0.900) 5.638 26.782 ( -1.445 -0.010 -0.299) 1.476 26.792 ( -0.789 -0.322 -0.315) 0.908 26.972 ( -5.247 3.035 -0.102) 6.062 27.029 ( -7.442 0.868 0.453) 7.506 28.456 ( 0.809 1.244 -0.001) 1.484 28.509 ( 0.924 -0.506 -0.175) 1.068 28.640 ( -2.024 1.265 1.098) 2.627 28.650 ( -1.815 0.754 -1.018) 2.213 29.412 ( 3.216 2.149 4.668) 6.062 29.460 ( -2.390 0.582 -2.181) 3.288 30.026 ( -0.164 0.169 -4.351) 4.358 30.110 ( 3.859 -2.904 -0.173) 4.832 30.661 ( 2.658 0.505 0.258) 2.718 30.727 ( 2.234 -2.262 -3.678) 4.862 30.811 ( 3.889 2.095 3.239) 5.478 30.891 ( -2.551 -0.438 5.601) 6.170 31.090 ( 17.078 1.145 -4.676) 17.743 31.130 ( 1.316 1.746 2.798) 3.551 31.390 ( 8.184 -3.926 10.161) 13.625 31.413 ( 17.084 -6.162 -7.435) 19.625 32.419 ( 10.259 5.462 -7.656) 13.917 32.517 ( 5.649 3.297 5.422) 8.495 32.733 ( 6.153 -8.133 -2.479) 10.496 32.808 ( 12.241 -9.643 -2.811) 15.834 33.924 ( -9.066 2.708 -1.615) 9.599 34.054 ( -8.915 5.199 3.138) 10.787 34.125 ( -10.091 -5.770 -0.847) 11.655 34.429 ( -6.900 -11.943 -0.150) 13.794 ======================= Grid point 196 (80/88) ======================= q-point: ( 0.30 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( 11.891 4.972 0.425) 12.895 1.687 ( 11.280 2.401 0.652) 11.552 1.803 ( 1.442 0.424 -3.807) 4.093 1.903 ( 6.537 -2.203 -4.773) 8.388 2.018 ( 5.100 6.007 3.403) 8.583 2.122 ( 1.085 -5.701 1.858) 6.094 2.186 ( -4.180 -2.033 10.296) 11.297 2.393 ( -3.469 -2.748 3.207) 5.465 2.428 ( -0.882 2.445 -0.724) 2.698 2.610 ( 1.426 -5.490 -4.685) 7.356 2.738 ( 1.481 3.028 -1.092) 3.543 2.958 ( 10.254 -4.367 -1.512) 11.247 3.305 ( 0.492 10.626 -0.954) 10.680 3.375 ( 5.443 8.898 -2.763) 10.791 3.615 ( 2.874 13.624 2.853) 14.213 3.839 ( -1.487 -0.879 -0.235) 1.744 3.992 ( 2.657 0.580 0.553) 2.776 4.095 ( -1.280 3.485 -1.609) 4.047 4.293 ( 6.947 -1.243 -1.016) 7.130 4.377 ( 9.667 -0.351 4.590) 10.707 4.467 ( 0.615 -4.991 -3.746) 6.271 4.540 ( 4.457 -8.655 7.833) 12.495 4.724 ( 0.488 8.910 3.169) 9.470 4.794 ( 9.206 6.237 -0.201) 11.122 4.905 ( 8.832 1.971 -11.684) 14.778 4.937 ( 3.844 -1.776 -4.414) 6.117 5.031 ( -2.418 -3.334 3.550) 5.437 5.163 ( 7.472 -6.019 0.066) 9.595 5.319 ( 8.317 1.333 2.147) 8.693 5.380 ( 14.014 -0.964 -0.412) 14.053 5.443 ( 15.191 -4.159 -4.233) 16.309 5.476 ( 7.266 -2.126 4.512) 8.813 5.700 ( 14.466 0.854 0.302) 14.494 5.850 ( 13.308 -2.323 2.875) 13.811 6.025 ( 13.974 4.009 -10.779) 18.098 6.204 ( 5.835 -1.698 -3.307) 6.918 6.246 ( -0.048 6.778 5.960) 9.025 6.297 ( 8.120 0.960 -3.154) 8.763 6.446 ( 5.380 3.800 3.255) 7.348 6.553 ( -2.148 3.026 -3.751) 5.277 6.750 ( 6.183 3.200 3.800) 7.931 6.946 ( -3.935 -2.177 -1.146) 4.641 6.995 ( -5.673 -4.065 1.195) 7.081 7.265 ( -4.399 -10.738 -5.365) 12.785 7.281 ( -0.609 1.165 0.000) 1.314 7.457 ( 0.954 -1.181 2.559) 2.976 7.536 ( -5.367 -2.306 4.813) 7.568 7.726 ( -6.488 -3.949 3.508) 8.366 7.848 ( -5.623 1.493 -4.836) 7.565 7.938 ( -5.087 -0.340 0.733) 5.151 8.068 ( -3.540 -1.704 6.365) 7.479 8.152 ( -14.177 -4.703 -1.745) 15.038 9.129 ( 1.029 -0.232 0.704) 1.268 9.192 ( 1.785 0.344 0.532) 1.895 9.350 ( -3.818 -0.075 2.648) 4.647 9.387 ( 0.579 -4.676 0.080) 4.712 9.522 ( 0.157 1.646 1.395) 2.164 9.654 ( -0.013 -3.584 -4.816) 6.004 9.714 ( -0.727 -5.064 -5.154) 7.262 9.794 ( -3.987 -7.151 4.525) 9.355 10.042 ( 1.691 5.778 0.277) 6.027 10.180 ( -3.220 1.914 -0.933) 3.860 10.326 ( -0.874 -0.571 1.599) 1.910 10.407 ( -5.540 -2.018 -3.853) 7.043 10.672 ( -0.483 3.037 3.616) 4.747 10.816 ( -1.548 -2.959 2.145) 3.969 10.948 ( -1.990 -0.627 -4.347) 4.822 11.003 ( -2.023 -1.928 2.094) 3.492 11.258 ( -2.759 8.737 5.286) 10.578 11.409 ( -2.183 3.178 0.093) 3.857 11.535 ( 0.273 8.816 -5.022) 10.149 11.768 ( -5.749 1.709 -4.351) 7.410 12.490 ( 0.919 0.037 -0.058) 0.921 12.566 ( 0.492 -3.058 0.804) 3.200 12.715 ( 0.796 2.180 -1.187) 2.607 12.791 ( 0.864 -0.425 1.058) 1.430 13.555 ( -4.196 0.684 2.591) 4.978 13.680 ( -3.111 -0.134 0.072) 3.115 13.711 ( -4.222 -4.068 -0.344) 5.873 13.856 ( -2.781 -5.854 -1.263) 6.603 14.870 ( 3.937 0.684 0.608) 4.042 14.937 ( 3.219 1.566 1.499) 3.881 15.080 ( 2.845 -0.852 2.559) 3.921 15.202 ( 1.226 -3.469 -0.624) 3.732 15.251 ( 0.154 3.533 -1.840) 3.986 15.335 ( 0.324 4.630 0.087) 4.642 15.477 ( 3.481 -1.804 -2.537) 4.670 15.566 ( 0.637 -0.975 1.154) 1.639 15.718 ( 0.201 4.441 -0.163) 4.448 15.749 ( 0.583 -0.229 -0.962) 1.148 15.904 ( -5.412 7.890 1.006) 9.621 16.141 ( -6.655 -2.472 -0.811) 7.146 16.570 ( 6.946 -0.361 1.506) 7.117 16.579 ( 0.694 -2.693 -1.605) 3.211 16.703 ( 0.244 -0.390 -0.140) 0.481 16.820 ( -0.003 -3.087 1.367) 3.376 17.648 ( 0.413 1.203 -0.973) 1.602 17.665 ( -0.198 1.681 1.401) 2.198 17.745 ( -1.371 -1.781 -1.817) 2.890 17.773 ( -3.443 -1.672 1.578) 4.140 21.972 ( 0.892 6.488 -0.307) 6.556 22.064 ( 1.207 6.778 -0.338) 6.893 22.247 ( -5.117 -3.316 -0.880) 6.161 22.354 ( -4.221 -3.827 0.982) 5.781 26.752 ( -1.331 0.450 -0.141) 1.412 26.777 ( -0.971 -0.491 0.277) 1.122 26.890 ( -3.358 1.522 0.140) 3.689 26.911 ( -4.603 0.720 -0.029) 4.659 28.476 ( 1.301 1.180 -0.424) 1.807 28.519 ( 0.725 -0.219 -1.135) 1.364 28.601 ( -1.505 1.779 0.110) 2.332 28.628 ( -1.144 0.856 0.731) 1.605 29.407 ( 0.065 3.761 -1.896) 4.212 29.524 ( 2.399 -1.498 3.098) 4.195 29.955 ( -3.565 3.128 -1.660) 5.025 30.119 ( -2.565 -3.954 -0.058) 4.713 30.706 ( 2.151 -0.715 0.005) 2.267 30.747 ( 2.537 -2.159 -1.975) 3.872 30.843 ( -1.369 1.522 3.004) 3.635 30.897 ( -1.501 0.420 3.211) 3.569 31.251 ( 5.250 5.317 8.858) 11.589 31.357 ( 14.075 -0.167 -6.235) 15.395 31.586 ( 3.705 -3.697 9.239) 10.619 31.624 ( 10.371 -5.455 -6.517) 13.409 32.580 ( 12.849 7.222 -8.525) 17.027 32.681 ( 6.553 5.929 4.814) 10.063 32.849 ( 7.769 -4.384 -1.601) 9.063 33.040 ( 12.136 -5.988 -0.596) 13.546 33.708 ( -12.543 2.647 -0.263) 12.822 33.870 ( -11.355 5.780 0.678) 12.759 33.959 ( -6.293 -10.961 0.668) 12.657 34.275 ( -6.917 -14.714 -3.702) 16.675 ======================= Grid point 197 (81/88) ======================= q-point: ( 0.40 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( 11.923 1.684 4.108) 12.723 1.818 ( 1.706 0.655 3.887) 4.295 1.864 ( 5.438 1.292 -2.343) 6.060 1.966 ( 4.699 -1.765 -3.502) 6.121 2.112 ( 2.584 1.386 -1.632) 3.356 2.144 ( -3.785 -0.166 3.787) 5.357 2.168 ( -2.217 0.981 4.009) 4.685 2.316 ( -4.721 3.600 0.254) 5.943 2.458 ( 4.150 -0.798 0.303) 4.237 2.650 ( 3.270 -2.875 -0.638) 4.401 2.710 ( -0.751 -0.426 -0.065) 0.866 3.006 ( -2.772 -7.336 -3.839) 8.731 3.342 ( 2.017 13.394 0.258) 13.547 3.373 ( -0.514 10.292 -3.871) 11.008 3.700 ( 3.711 13.774 2.784) 14.534 3.807 ( -0.087 2.065 0.890) 2.250 4.038 ( -1.163 10.269 -0.189) 10.337 4.148 ( 6.909 -5.187 3.913) 9.484 4.357 ( -3.617 -1.235 -1.157) 3.994 4.468 ( 6.185 -5.925 -2.026) 8.802 4.529 ( 3.134 -3.296 0.510) 4.577 4.631 ( -0.577 -7.304 10.103) 12.480 4.758 ( 1.246 -0.968 -2.504) 2.960 4.879 ( 0.212 -1.904 -9.076) 9.276 5.011 ( 8.264 2.360 1.596) 8.741 5.049 ( 6.324 4.243 3.274) 8.289 5.091 ( 7.954 -1.986 -1.541) 8.342 5.240 ( 1.660 -3.746 -1.104) 4.244 5.400 ( 2.800 2.315 -0.166) 3.637 5.514 ( 1.792 -2.135 -3.990) 4.867 5.671 ( 11.046 1.147 -2.082) 11.299 5.719 ( 8.041 0.312 2.564) 8.446 5.943 ( 6.163 6.808 7.072) 11.591 6.100 ( 8.148 2.400 -0.932) 8.545 6.209 ( 11.655 -2.035 -7.940) 14.248 6.269 ( 3.453 -0.774 2.459) 4.309 6.325 ( 4.475 -0.295 0.354) 4.499 6.402 ( 5.779 -1.050 -0.876) 5.938 6.491 ( 4.693 4.410 0.342) 6.449 6.638 ( 5.752 -1.306 -0.297) 5.906 6.803 ( -6.655 -3.373 3.091) 8.076 6.846 ( -8.999 -3.230 -2.661) 9.924 6.885 ( 3.490 0.258 -3.894) 5.236 7.111 ( -7.386 -4.660 -0.680) 8.760 7.329 ( 4.124 4.222 -0.952) 5.978 7.459 ( -2.217 -1.323 0.688) 2.672 7.535 ( -0.498 -2.174 7.212) 7.549 7.614 ( -5.301 -2.842 2.595) 6.551 7.717 ( -3.954 1.039 -4.092) 5.784 7.802 ( -8.230 -2.410 -4.821) 9.837 7.957 ( -3.677 0.775 3.840) 5.373 8.046 ( -3.940 -4.003 2.596) 6.188 9.173 ( 3.170 0.347 0.135) 3.192 9.226 ( 1.172 1.325 0.540) 1.849 9.286 ( -3.852 1.910 1.928) 4.712 9.364 ( -3.795 -4.056 -0.638) 5.591 9.548 ( 0.989 -1.532 1.856) 2.602 9.621 ( -0.269 -2.965 -2.190) 3.696 9.672 ( 3.323 -6.642 -9.042) 11.701 9.751 ( -5.289 -7.024 6.763) 11.093 10.093 ( 3.037 3.425 0.227) 4.583 10.150 ( -0.271 1.881 0.157) 1.907 10.293 ( -3.009 -2.689 1.632) 4.353 10.321 ( -1.016 -2.798 -3.194) 4.366 10.692 ( -0.139 2.120 2.713) 3.445 10.777 ( -3.380 -0.593 -0.202) 3.438 10.918 ( 1.516 -0.931 -1.495) 2.324 10.975 ( -1.920 -1.662 0.721) 2.640 11.283 ( -0.490 7.544 7.571) 10.699 11.405 ( 0.416 4.054 1.196) 4.247 11.476 ( -0.733 7.379 -6.118) 9.614 11.620 ( -5.394 3.777 -4.245) 7.835 12.506 ( 0.788 -0.193 0.554) 0.982 12.561 ( -0.840 -3.145 -0.803) 3.353 12.738 ( 1.959 2.711 -0.211) 3.352 12.799 ( -0.565 0.186 0.195) 0.627 13.523 ( -1.702 1.054 3.532) 4.060 13.606 ( -2.632 1.851 -3.188) 4.530 13.688 ( -0.120 -6.582 3.109) 7.281 13.791 ( -2.247 -6.681 -2.494) 7.477 14.934 ( 3.781 3.249 -3.005) 5.821 15.015 ( 1.483 2.118 2.930) 3.908 15.119 ( -0.094 0.947 0.868) 1.288 15.204 ( 1.050 -2.379 -1.947) 3.249 15.247 ( 1.178 5.769 -0.349) 5.899 15.368 ( 0.283 1.541 1.090) 1.908 15.493 ( 0.816 0.759 0.505) 1.223 15.587 ( 0.299 -3.850 0.169) 3.865 15.731 ( 1.142 2.731 0.756) 3.056 15.754 ( 0.811 -0.016 -1.454) 1.665 15.844 ( -1.620 2.812 0.988) 3.393 15.998 ( -6.820 -2.912 -1.503) 7.566 16.589 ( 1.334 -1.706 0.519) 2.226 16.664 ( -0.325 -4.856 0.041) 4.867 16.718 ( 4.125 2.399 -0.945) 4.864 16.821 ( -1.151 -2.192 0.677) 2.566 17.648 ( 0.254 0.131 -0.256) 0.384 17.670 ( -0.539 0.064 0.765) 0.938 17.712 ( -0.063 -0.239 -2.303) 2.316 17.733 ( -2.244 0.170 2.046) 3.042 22.002 ( 2.298 4.253 -0.153) 4.836 22.093 ( 0.892 5.404 0.172) 5.480 22.160 ( -2.339 -3.002 -0.236) 3.813 22.276 ( -4.326 -2.826 0.076) 5.168 26.733 ( -0.423 0.716 -0.192) 0.854 26.755 ( -1.597 -0.036 0.589) 1.702 26.843 ( -0.988 0.534 -0.795) 1.376 26.854 ( -1.947 0.235 0.790) 2.114 28.496 ( 1.318 1.199 -0.780) 1.946 28.522 ( 0.410 0.412 -1.006) 1.162 28.586 ( -0.498 1.755 0.814) 1.998 28.611 ( -1.207 1.011 0.491) 1.649 29.419 ( 2.178 4.169 -0.375) 4.719 29.542 ( -1.098 -1.442 -1.807) 2.560 29.904 ( -1.550 2.358 3.059) 4.162 30.036 ( -4.688 -3.689 -1.213) 6.087 30.749 ( 2.534 -0.438 -0.449) 2.610 30.783 ( 1.724 -1.655 -0.414) 2.425 30.845 ( -0.758 1.991 2.430) 3.232 30.879 ( -1.831 0.891 1.121) 2.325 31.417 ( 2.187 3.765 12.234) 12.986 31.509 ( 7.966 -0.794 -9.106) 12.125 31.691 ( 0.719 -2.982 6.876) 7.529 31.717 ( 4.936 -3.699 -5.770) 8.446 32.751 ( 11.342 8.980 -8.242) 16.650 32.824 ( 3.067 10.344 5.453) 12.089 33.000 ( 9.063 -0.972 -1.395) 9.221 33.246 ( 8.661 -3.067 1.443) 9.301 33.452 ( -12.981 4.968 0.098) 13.900 33.655 ( -10.819 3.926 -0.382) 11.516 33.904 ( -0.626 -16.528 2.788) 16.774 34.115 ( -5.564 -17.951 -5.654) 19.626 ======================= Grid point 198 (82/88) ======================= q-point: (-0.50 0.33 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( 0.742 1.937 -4.870) 5.294 1.878 ( -0.742 1.937 4.870) 5.294 2.020 ( -4.245 -1.718 -3.661) 5.863 2.020 ( 4.245 -1.718 3.661) 5.863 2.072 ( -2.177 -1.754 -3.126) 4.194 2.072 ( 2.177 -1.754 3.126) 4.194 2.221 ( -2.639 4.967 -1.697) 5.874 2.221 ( 2.639 4.967 1.697) 5.874 2.568 ( -5.436 3.303 -1.205) 6.474 2.568 ( 5.436 3.303 1.205) 6.474 2.855 ( -4.043 -8.558 -7.672) 12.183 2.855 ( 4.043 -8.558 7.672) 12.183 3.355 ( 0.102 13.562 -0.233) 13.564 3.355 ( -0.102 13.562 0.233) 13.564 3.783 ( -3.075 8.289 -0.707) 8.869 3.783 ( 3.075 8.289 0.707) 8.869 4.116 ( -6.870 2.909 -1.918) 7.703 4.116 ( 6.870 2.909 1.918) 7.703 4.427 ( -6.131 -2.216 -0.144) 6.521 4.427 ( 6.131 -2.216 0.144) 6.521 4.629 ( 6.612 -7.138 -7.610) 12.352 4.629 ( -6.612 -7.138 7.610) 12.352 4.790 ( -1.166 -4.667 -5.336) 7.185 4.790 ( 1.166 -4.667 5.336) 7.184 5.126 ( 4.264 2.750 -8.798) 10.156 5.126 ( -4.264 2.750 8.798) 10.156 5.216 ( 2.313 -0.852 -7.369) 7.770 5.216 ( -2.313 -0.852 7.369) 7.770 5.459 ( -2.825 -0.018 -2.865) 4.024 5.459 ( 2.825 -0.018 2.865) 4.024 5.782 ( 2.134 3.883 -2.130) 4.916 5.782 ( -2.134 3.883 2.130) 4.916 6.077 ( -1.124 6.002 -10.988) 12.570 6.077 ( 1.124 6.002 10.988) 12.570 6.336 ( 3.185 -2.572 -3.469) 5.366 6.336 ( -3.185 -2.572 3.469) 5.366 6.440 ( -2.125 -1.103 -2.881) 3.746 6.440 ( 2.125 -1.103 2.881) 3.746 6.616 ( -3.002 -7.323 -9.061) 12.031 6.616 ( 3.002 -7.323 9.061) 12.031 6.726 ( 3.816 -0.738 -2.277) 4.505 6.726 ( -3.816 -0.738 2.277) 4.505 6.968 ( 4.119 1.088 -1.637) 4.564 6.968 ( -4.119 1.088 1.637) 4.564 7.396 ( 0.676 3.684 -0.585) 3.791 7.396 ( -0.676 3.684 0.585) 3.791 7.600 ( -0.353 -3.114 -1.202) 3.357 7.600 ( 0.353 -3.114 1.202) 3.357 7.647 ( -0.001 0.658 -1.951) 2.059 7.647 ( 0.001 0.658 1.951) 2.059 7.982 ( -2.381 -3.492 -1.783) 4.587 7.982 ( 2.381 -3.492 1.783) 4.587 9.239 ( 2.728 2.457 -2.251) 4.306 9.239 ( -2.728 2.457 2.251) 4.306 9.266 ( -3.584 -1.765 -1.716) 4.348 9.266 ( 3.584 -1.765 1.716) 4.348 9.588 ( 3.412 -3.373 -7.719) 9.089 9.588 ( -3.412 -3.373 7.719) 9.089 9.700 ( 6.480 -6.612 -9.548) 13.299 9.700 ( -6.480 -6.612 9.548) 13.299 10.141 ( -0.542 1.795 -0.689) 1.998 10.141 ( 0.542 1.795 0.689) 1.998 10.283 ( 0.617 -2.913 -3.345) 4.479 10.283 ( -0.617 -2.913 3.345) 4.479 10.719 ( -1.390 0.626 -1.685) 2.272 10.719 ( 1.390 0.626 1.685) 2.272 10.945 ( 0.938 -1.146 -2.147) 2.608 10.945 ( -0.938 -1.146 2.147) 2.608 11.356 ( -1.412 8.182 -7.431) 11.143 11.356 ( 1.412 8.182 7.431) 11.143 11.502 ( -3.795 3.462 -2.256) 5.611 11.502 ( 3.795 3.462 2.256) 5.611 12.532 ( -0.758 -1.384 -1.540) 2.205 12.532 ( 0.758 -1.384 1.540) 2.205 12.776 ( -1.398 1.392 -0.391) 2.012 12.776 ( 1.398 1.392 0.391) 2.012 13.544 ( -0.590 1.432 -3.875) 4.173 13.544 ( 0.590 1.432 3.875) 4.173 13.731 ( -0.427 -6.647 -4.471) 8.023 13.731 ( 0.427 -6.647 4.471) 8.023 14.989 ( 0.885 3.085 -1.550) 3.565 14.989 ( -0.885 3.085 1.550) 3.565 15.168 ( -1.725 0.403 -3.675) 4.080 15.168 ( 1.725 0.403 3.675) 4.080 15.315 ( -1.981 4.608 -3.176) 5.936 15.315 ( 1.981 4.608 3.176) 5.936 15.555 ( -0.572 -2.635 -4.933) 5.622 15.555 ( 0.572 -2.635 4.933) 5.622 15.753 ( 0.918 1.120 -2.727) 3.088 15.753 ( -0.918 1.120 2.727) 3.088 15.875 ( -3.414 -1.667 -1.225) 3.992 15.875 ( 3.414 -1.667 1.225) 3.992 16.630 ( -1.141 -2.018 -1.926) 3.014 16.630 ( 1.141 -2.018 1.926) 3.014 16.786 ( -2.724 -1.279 0.152) 3.013 16.786 ( 2.724 -1.279 -0.152) 3.013 17.656 ( 0.735 -0.582 -1.165) 1.496 17.656 ( -0.735 -0.582 1.165) 1.496 17.713 ( 1.149 0.864 -1.001) 1.752 17.713 ( -1.149 0.864 1.001) 1.752 22.055 ( -2.383 2.710 -0.576) 3.654 22.055 ( 2.383 2.710 0.576) 3.654 22.194 ( -3.411 -1.172 -0.810) 3.697 22.194 ( 3.411 -1.172 0.810) 3.697 26.734 ( 0.601 0.554 -1.217) 1.466 26.734 ( -0.601 0.554 1.217) 1.466 26.836 ( 0.739 0.112 -0.917) 1.183 26.836 ( -0.739 0.112 0.917) 1.183 28.514 ( -0.231 1.124 -0.390) 1.213 28.514 ( 0.231 1.124 0.390) 1.213 28.593 ( -0.234 1.216 -0.613) 1.382 28.593 ( 0.234 1.216 0.613) 1.382 29.479 ( -3.007 2.048 -1.832) 4.074 29.479 ( 3.007 2.048 1.832) 4.074 29.944 ( -2.541 -1.472 -3.156) 4.311 29.944 ( 2.541 -1.472 3.156) 4.311 30.788 ( 0.031 -0.437 -0.105) 0.450 30.788 ( -0.031 -0.437 0.105) 0.450 30.855 ( -0.317 1.373 -1.205) 1.854 30.855 ( 0.317 1.373 1.205) 1.854 31.518 ( 2.285 0.598 -11.911) 12.143 31.518 ( -2.285 0.598 11.911) 12.143 31.733 ( 3.129 -2.655 -8.405) 9.353 31.733 ( -3.129 -2.655 8.405) 9.353 32.855 ( 5.498 11.398 -9.044) 15.554 32.855 ( -5.498 11.398 9.044) 15.554 33.189 ( -2.791 0.138 -2.479) 3.735 33.189 ( 2.791 0.138 2.479) 3.735 33.452 ( -10.028 3.389 0.552) 10.600 33.452 ( 10.028 3.389 -0.552) 10.600 33.975 ( -1.592 -19.286 -7.733) 20.839 33.975 ( 1.592 -19.286 7.733) 20.839 ======================= Grid point 204 (83/88) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( -0.000 0.000 0.000) 0.000 1.532 ( 0.000 0.000 0.000) 0.000 1.769 ( -0.000 0.000 0.000) 0.000 1.769 ( -0.000 0.000 0.000) 0.000 2.020 ( 0.000 -0.000 0.000) 0.000 2.020 ( 0.000 0.000 0.000) 0.000 2.032 ( -0.000 0.000 -0.000) 0.000 2.032 ( -0.000 0.000 -0.000) 0.000 2.309 ( -0.000 0.000 0.000) 0.000 2.309 ( 0.000 0.000 0.000) 0.000 2.643 ( 0.000 0.000 0.000) 0.000 2.643 ( 0.000 0.000 0.000) 0.000 3.286 ( -0.000 0.000 0.000) 0.000 3.286 ( 0.000 0.000 0.000) 0.000 3.541 ( 0.000 0.000 0.000) 0.000 3.541 ( 0.000 0.000 0.000) 0.000 3.798 ( 0.000 0.000 0.000) 0.000 3.798 ( -0.000 0.000 0.000) 0.000 4.137 ( -0.000 0.000 0.000) 0.000 4.137 ( 0.000 0.000 0.000) 0.000 4.354 ( 0.000 0.000 -0.000) 0.000 4.354 ( 0.000 0.000 0.000) 0.000 4.459 ( 0.000 0.000 0.000) 0.000 4.459 ( -0.000 0.000 0.000) 0.000 4.642 ( 0.000 0.000 -0.000) 0.000 4.642 ( -0.000 0.000 0.000) 0.000 4.719 ( 0.000 0.000 -0.000) 0.000 4.719 ( -0.000 -0.000 0.000) 0.000 5.039 ( 0.000 0.000 -0.000) 0.000 5.039 ( 0.000 0.000 0.000) 0.000 5.169 ( -0.000 0.000 -0.000) 0.000 5.169 ( 0.000 0.000 0.000) 0.000 5.462 ( -0.000 0.000 -0.000) 0.000 5.462 ( -0.000 0.000 0.000) 0.000 5.541 ( -0.000 0.000 0.000) 0.000 5.541 ( 0.000 0.000 0.000) 0.000 6.213 ( 0.000 0.000 0.000) 0.000 6.213 ( 0.000 0.000 0.000) 0.000 6.540 ( -0.000 0.000 0.000) 0.000 6.540 ( 0.000 0.000 0.000) 0.000 6.902 ( -0.000 0.000 0.000) 0.000 6.902 ( 0.000 0.000 0.000) 0.000 7.201 ( -0.000 0.000 0.000) 0.000 7.201 ( -0.000 0.000 0.000) 0.000 7.649 ( -0.000 -0.000 -0.000) 0.000 7.649 ( -0.000 0.000 -0.000) 0.000 7.664 ( 0.000 -0.000 0.000) 0.000 7.664 ( 0.000 0.000 0.000) 0.000 7.963 ( -0.000 0.000 0.000) 0.000 7.963 ( 0.000 0.000 0.000) 0.000 8.328 ( 0.000 0.000 0.000) 0.000 8.328 ( 0.000 0.000 0.000) 0.000 9.130 ( 0.000 0.000 -0.000) 0.000 9.130 ( 0.000 0.000 0.000) 0.000 9.305 ( 0.000 0.000 -0.000) 0.000 9.305 ( -0.000 0.000 0.000) 0.000 9.744 ( -0.000 0.000 0.000) 0.000 9.744 ( -0.000 0.000 0.000) 0.000 9.755 ( 0.000 -0.000 -0.000) 0.000 9.755 ( 0.000 0.000 0.000) 0.000 10.225 ( -0.000 0.000 0.000) 0.000 10.225 ( 0.000 0.000 0.000) 0.000 10.402 ( 0.000 -0.000 0.000) 0.000 10.402 ( 0.000 0.000 0.000) 0.000 10.994 ( 0.000 0.000 0.000) 0.000 10.994 ( -0.000 0.000 0.000) 0.000 11.139 ( -0.000 0.000 0.000) 0.000 11.139 ( 0.000 0.000 0.000) 0.000 11.350 ( 0.000 0.000 -0.000) 0.000 11.350 ( -0.000 0.000 0.000) 0.000 11.851 ( -0.000 0.000 0.000) 0.000 11.851 ( -0.000 0.000 0.000) 0.000 12.469 ( -0.000 0.000 -0.000) 0.000 12.469 ( 0.000 0.000 0.000) 0.000 12.676 ( -0.000 0.000 0.000) 0.000 12.676 ( -0.000 0.000 0.000) 0.000 13.835 ( 0.000 0.000 0.000) 0.000 13.835 ( 0.000 0.000 0.000) 0.000 14.075 ( -0.000 0.000 0.000) 0.000 14.075 ( 0.000 0.000 0.000) 0.000 14.792 ( -0.000 0.000 0.000) 0.000 14.792 ( -0.000 0.000 0.000) 0.000 15.140 ( -0.000 -0.000 -0.000) 0.000 15.140 ( 0.000 0.000 0.000) 0.000 15.147 ( -0.000 0.000 -0.000) 0.000 15.147 ( 0.000 0.000 0.000) 0.000 15.400 ( -0.000 0.000 0.000) 0.000 15.400 ( -0.000 0.000 0.000) 0.000 15.734 ( -0.000 0.000 0.000) 0.000 15.734 ( 0.000 0.000 0.000) 0.000 16.129 ( -0.000 0.000 0.000) 0.000 16.129 ( 0.000 0.000 0.000) 0.000 16.573 ( -0.000 0.000 -0.000) 0.000 16.573 ( 0.000 0.000 0.000) 0.000 16.579 ( -0.000 -0.000 0.000) 0.000 16.579 ( 0.000 -0.000 0.000) 0.000 17.732 ( 0.000 0.000 0.000) 0.000 17.732 ( -0.000 0.000 0.000) 0.000 17.836 ( -0.000 -0.000 0.000) 0.000 17.836 ( -0.000 0.000 0.000) 0.000 22.137 ( -0.000 0.000 0.000) 0.000 22.137 ( 0.000 0.000 0.000) 0.000 22.523 ( 0.000 0.000 0.000) 0.000 22.523 ( 0.000 0.000 0.000) 0.000 26.822 ( 0.000 0.000 0.000) 0.000 26.822 ( 0.000 0.000 0.000) 0.000 27.188 ( -0.000 0.000 0.000) 0.000 27.188 ( 0.000 0.000 0.000) 0.000 28.466 ( -0.000 0.000 0.000) 0.000 28.466 ( 0.000 0.000 0.000) 0.000 28.685 ( -0.000 0.000 0.000) 0.000 28.685 ( 0.000 0.000 0.000) 0.000 29.583 ( 0.000 0.000 0.000) 0.000 29.583 ( -0.000 0.000 0.000) 0.000 29.862 ( 0.000 0.000 0.000) 0.000 29.862 ( 0.000 0.000 0.000) 0.000 30.584 ( -0.000 0.000 0.000) 0.000 30.584 ( 0.000 0.000 0.000) 0.000 30.724 ( -0.000 0.000 0.000) 0.000 30.724 ( 0.000 0.000 0.000) 0.000 30.802 ( -0.000 0.000 -0.000) 0.000 30.802 ( 0.000 0.000 0.000) 0.000 31.175 ( 0.000 0.000 0.000) 0.000 31.175 ( -0.000 0.000 0.000) 0.000 32.368 ( -0.000 0.000 0.000) 0.000 32.368 ( 0.000 0.000 0.000) 0.000 32.475 ( 0.000 0.000 0.000) 0.000 32.475 ( -0.000 0.000 0.000) 0.000 34.259 ( -0.000 0.000 -0.000) 0.000 34.259 ( 0.000 0.000 0.000) 0.000 34.358 ( 0.000 0.000 -0.000) 0.000 34.358 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 208 (84/88) ======================= q-point: ( 0.10 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( -0.808 -4.697 -3.501) 5.914 1.490 ( -0.808 4.697 -3.501) 5.914 1.846 ( 6.155 -4.713 -3.259) 8.409 1.846 ( 6.155 4.713 -3.259) 8.409 1.951 ( -0.092 -5.861 -6.876) 9.035 1.951 ( -0.092 5.861 -6.876) 9.035 2.113 ( 0.757 -2.436 9.242) 9.587 2.113 ( 0.757 2.436 9.242) 9.587 2.379 ( 7.410 -0.067 0.802) 7.453 2.379 ( 7.410 0.067 0.802) 7.453 2.656 ( 2.282 -3.996 -2.875) 5.427 2.656 ( 2.282 3.996 -2.875) 5.427 3.260 ( 0.790 -3.632 -2.972) 4.759 3.260 ( 0.790 3.632 -2.972) 4.759 3.632 ( 4.307 -6.956 5.297) 9.747 3.632 ( 4.307 6.956 5.297) 9.747 3.835 ( 6.531 -3.015 -1.893) 7.438 3.835 ( 6.531 3.015 -1.893) 7.438 4.234 ( 5.300 -7.035 -0.654) 8.832 4.234 ( 5.300 7.035 -0.654) 8.832 4.386 ( 4.221 -4.692 -2.607) 6.829 4.386 ( 4.221 4.692 -2.607) 6.829 4.520 ( 7.753 -2.954 0.377) 8.305 4.520 ( 7.753 2.954 0.377) 8.305 4.628 ( 0.437 -5.748 3.781) 6.894 4.628 ( 0.437 5.748 3.781) 6.894 4.832 ( 6.490 -2.548 4.545) 8.323 4.832 ( 6.490 2.548 4.545) 8.323 5.049 ( 1.767 -2.903 -2.401) 4.161 5.049 ( 1.767 2.903 -2.401) 4.161 5.195 ( 0.879 -6.715 1.105) 6.862 5.195 ( 0.879 6.715 1.105) 6.862 5.425 ( 3.460 -5.860 -3.799) 7.793 5.425 ( 3.460 5.860 -3.799) 7.793 5.733 ( 13.473 -5.554 1.861) 14.692 5.733 ( 13.473 5.554 1.861) 14.692 6.153 ( -3.165 -4.015 -1.957) 5.475 6.153 ( -3.165 4.015 -1.957) 5.475 6.587 ( 3.633 -4.686 -0.654) 5.966 6.587 ( 3.633 4.686 -0.654) 5.966 6.831 ( -4.090 -9.585 -4.544) 11.369 6.831 ( -4.090 9.585 -4.544) 11.369 7.207 ( -0.425 -4.050 1.459) 4.326 7.207 ( -0.425 4.050 1.459) 4.326 7.499 ( -5.560 -3.427 -6.777) 9.412 7.499 ( -5.560 3.427 -6.777) 9.412 7.738 ( -2.491 -2.732 8.346) 9.128 7.738 ( -2.491 2.732 8.346) 9.128 7.984 ( 0.888 -1.746 1.936) 2.754 7.984 ( 0.888 1.746 1.936) 2.754 8.285 ( -4.887 -9.589 1.460) 10.861 8.285 ( -4.887 9.589 1.460) 10.861 9.125 ( 0.146 -0.748 -0.976) 1.238 9.125 ( 0.146 0.748 -0.976) 1.238 9.306 ( -0.390 -1.073 1.491) 1.878 9.306 ( -0.390 1.073 1.491) 1.878 9.720 ( -1.395 -4.346 -1.948) 4.963 9.720 ( -1.395 4.346 -1.948) 4.963 9.743 ( -1.402 -2.616 0.252) 2.979 9.743 ( -1.402 2.616 0.252) 2.979 10.208 ( -1.989 -7.573 0.883) 7.880 10.208 ( -1.989 7.573 0.883) 7.880 10.427 ( 2.363 -7.736 -1.108) 8.164 10.427 ( 2.363 7.736 -1.108) 8.164 10.950 ( -6.844 -1.897 1.351) 7.229 10.950 ( -6.844 1.897 1.351) 7.229 11.029 ( -4.931 -1.529 -0.470) 5.184 11.029 ( -4.931 1.529 -0.470) 5.184 11.449 ( 5.085 -5.388 0.634) 7.436 11.449 ( 5.085 5.388 0.634) 7.436 11.803 ( -2.804 -6.692 -2.808) 7.780 11.803 ( -2.804 6.692 -2.808) 7.780 12.481 ( 0.698 -2.378 0.826) 2.612 12.481 ( 0.698 2.378 0.826) 2.612 12.694 ( 1.591 -0.368 0.119) 1.637 12.694 ( 1.591 0.368 0.119) 1.637 13.798 ( -4.201 -3.547 0.558) 5.526 13.798 ( -4.201 3.547 0.558) 5.526 13.986 ( -7.419 -2.243 -0.448) 7.763 13.986 ( -7.419 2.243 -0.448) 7.763 14.779 ( -0.107 -1.243 -0.269) 1.277 14.779 ( -0.107 1.243 -0.269) 1.277 15.053 ( -1.485 -0.868 0.690) 1.853 15.053 ( -1.485 0.868 0.690) 1.853 15.271 ( 3.713 -2.806 0.510) 4.681 15.271 ( 3.713 2.806 0.510) 4.681 15.437 ( 3.649 -3.291 -0.449) 4.934 15.437 ( 3.649 3.291 -0.449) 4.934 15.748 ( 0.436 -1.600 1.243) 2.072 15.748 ( 0.436 1.600 1.243) 2.072 16.176 ( 3.723 -2.648 -0.498) 4.596 16.176 ( 3.723 2.648 -0.498) 4.596 16.510 ( -2.583 -4.055 -1.329) 4.988 16.510 ( -2.583 4.055 -1.329) 4.988 16.639 ( 1.787 -8.207 3.749) 9.198 16.639 ( 1.787 8.207 3.749) 9.198 17.723 ( -0.828 -1.754 -0.366) 1.974 17.723 ( -0.828 1.754 -0.366) 1.974 17.810 ( -2.231 -1.474 -0.041) 2.674 17.810 ( -2.231 1.474 -0.041) 2.674 22.130 ( -0.524 -1.866 -0.445) 1.989 22.130 ( -0.524 1.866 -0.445) 1.989 22.465 ( -5.214 -1.432 -0.268) 5.414 22.465 ( -5.214 1.432 -0.268) 5.414 26.810 ( -0.869 -0.281 -0.575) 1.079 26.810 ( -0.869 0.281 -0.575) 1.079 27.139 ( -5.466 -2.085 1.347) 6.003 27.139 ( -5.466 2.085 1.347) 6.003 28.471 ( 0.538 -1.123 0.083) 1.248 28.471 ( 0.538 1.123 0.083) 1.248 28.684 ( -1.092 -0.784 1.084) 1.727 28.684 ( -1.092 0.784 1.084) 1.727 29.478 ( -4.032 -5.759 -1.905) 7.284 29.478 ( -4.032 5.759 -1.905) 7.284 29.975 ( 7.001 -2.090 -1.185) 7.402 29.975 ( 7.001 2.090 -1.185) 7.402 30.636 ( 4.543 -2.363 -0.419) 5.138 30.636 ( 4.543 2.363 -0.419) 5.138 30.755 ( 4.302 -2.878 -0.786) 5.235 30.755 ( 4.302 2.878 -0.786) 5.235 30.951 ( 11.388 -5.644 0.966) 12.747 30.951 ( 11.388 5.644 0.966) 12.747 31.176 ( 1.636 -1.882 0.630) 2.572 31.176 ( 1.636 1.882 0.630) 2.572 32.416 ( 6.308 -3.934 -2.696) 7.908 32.416 ( 6.308 3.934 -2.696) 7.908 32.512 ( 3.755 -3.253 -0.083) 4.968 32.512 ( 3.755 3.253 -0.083) 4.968 34.174 ( -6.392 -4.278 -2.772) 8.176 34.174 ( -6.392 4.278 -2.772) 8.176 34.337 ( -4.884 -7.107 3.867) 9.451 34.337 ( -4.884 7.107 3.867) 9.451 ======================= Grid point 210 (85/88) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( 5.853 -2.687 -1.584) 6.632 1.509 ( 5.853 2.687 -1.584) 6.632 1.845 ( 2.850 -1.818 -12.526) 12.974 1.845 ( 2.850 1.818 -12.526) 12.974 1.965 ( 1.323 -3.333 4.894) 6.067 1.965 ( 1.323 3.333 4.894) 6.067 2.227 ( 1.198 -7.375 9.874) 12.382 2.227 ( 1.198 7.375 9.874) 12.382 2.512 ( 3.744 -4.683 -1.518) 6.184 2.512 ( 3.744 4.683 -1.518) 6.184 2.704 ( 6.737 -3.162 -3.418) 8.190 2.704 ( 6.737 3.162 -3.418) 8.190 3.327 ( 7.517 -0.937 0.040) 7.575 3.327 ( 7.517 0.937 0.040) 7.575 3.734 ( 2.401 -9.640 2.700) 10.295 3.734 ( 2.401 9.640 2.700) 10.295 4.018 ( 10.216 -3.036 -2.392) 10.923 4.018 ( 10.216 3.036 -2.392) 10.923 4.233 ( 0.401 -10.764 2.262) 11.006 4.233 ( 0.401 10.764 2.262) 11.006 4.401 ( -0.945 -5.374 -5.533) 7.771 4.401 ( -0.945 5.374 -5.533) 7.771 4.737 ( 9.569 -3.915 2.411) 10.616 4.737 ( 9.569 3.915 2.411) 10.616 4.808 ( 15.823 -5.148 -3.073) 16.920 4.808 ( 15.823 5.148 -3.073) 16.920 4.969 ( -2.131 -4.526 10.409) 11.549 4.969 ( -2.131 4.526 10.409) 11.549 5.087 ( 8.763 -4.577 -4.627) 10.916 5.087 ( 8.763 4.577 -4.627) 10.916 5.254 ( 6.063 -3.015 0.858) 6.825 5.254 ( 6.063 3.015 0.858) 6.825 5.524 ( 8.724 -4.461 -1.725) 9.949 5.524 ( 8.724 4.461 -1.725) 9.949 5.992 ( 12.959 -5.380 -7.596) 15.955 5.992 ( 12.959 5.380 -7.596) 15.955 6.164 ( 5.978 -1.709 2.781) 6.811 6.164 ( 5.978 1.709 2.781) 6.811 6.599 ( -2.805 -5.575 -0.731) 6.284 6.599 ( -2.805 5.575 -0.731) 6.284 6.764 ( 0.719 -10.691 0.948) 10.757 6.764 ( 0.719 10.691 0.948) 10.757 7.188 ( -2.301 -6.354 -1.689) 6.965 7.188 ( -2.301 6.354 -1.689) 6.965 7.359 ( -3.983 -1.370 -2.376) 4.836 7.359 ( -3.983 1.370 -2.376) 4.836 7.710 ( -5.694 -5.279 5.215) 9.353 7.710 ( -5.694 5.279 5.215) 9.353 7.997 ( -1.866 -0.769 1.522) 2.528 7.997 ( -1.866 0.769 1.522) 2.528 8.176 ( -7.540 -11.876 2.408) 14.272 8.176 ( -7.540 11.876 2.408) 14.272 9.128 ( 1.081 -1.663 -0.662) 2.091 9.128 ( 1.081 1.663 -0.662) 2.091 9.321 ( 0.166 -1.328 2.460) 2.801 9.321 ( 0.166 1.328 2.460) 2.801 9.665 ( -1.724 -5.729 -3.921) 7.153 9.665 ( -1.724 5.729 -3.921) 7.153 9.710 ( -2.407 -3.802 0.915) 4.592 9.710 ( -2.407 3.802 0.915) 4.592 10.173 ( -2.274 -7.234 1.428) 7.716 10.173 ( -2.274 7.234 1.428) 7.716 10.439 ( -0.638 -7.433 -2.701) 7.934 10.439 ( -0.638 7.433 -2.701) 7.934 10.792 ( -7.208 -4.213 1.876) 8.557 10.792 ( -7.208 4.213 1.876) 8.557 10.991 ( -0.819 -1.500 -0.179) 1.718 10.991 ( -0.819 1.500 -0.179) 1.718 11.467 ( -3.720 -5.972 1.169) 7.133 11.467 ( -3.720 5.972 1.169) 7.133 11.747 ( -0.035 -10.104 -3.716) 10.766 11.747 ( -0.035 10.104 -3.716) 10.766 12.501 ( 0.555 -2.413 0.817) 2.607 12.501 ( 0.555 2.413 0.817) 2.607 12.730 ( 1.893 -1.222 0.037) 2.253 12.730 ( 1.893 1.222 0.037) 2.253 13.689 ( -6.976 -4.106 1.615) 8.254 13.689 ( -6.976 4.106 1.615) 8.254 13.852 ( -5.122 -3.123 -1.429) 6.167 13.852 ( -5.122 3.123 -1.429) 6.167 14.810 ( 2.855 -1.146 1.633) 3.483 14.810 ( 2.855 1.146 1.633) 3.483 15.072 ( 1.878 -2.433 1.221) 3.308 15.072 ( 1.878 2.433 1.221) 3.308 15.319 ( 2.325 -3.887 -1.269) 4.704 15.319 ( 2.325 3.887 -1.269) 4.704 15.491 ( 2.083 -5.030 -1.236) 5.583 15.491 ( 2.083 5.030 -1.236) 5.583 15.758 ( -0.135 -1.187 0.486) 1.289 15.758 ( -0.135 1.187 0.486) 1.289 16.183 ( -4.021 -5.538 0.296) 6.850 16.183 ( -4.021 5.538 0.296) 6.850 16.491 ( 1.838 -5.729 -0.379) 6.029 16.491 ( 1.838 5.729 -0.379) 6.029 16.704 ( 2.266 -5.392 2.132) 6.225 16.704 ( 2.266 5.392 2.132) 6.225 17.697 ( -0.941 -2.478 -1.184) 2.903 17.697 ( -0.941 2.478 -1.184) 2.903 17.767 ( -2.363 -2.009 1.075) 3.282 17.767 ( -2.363 2.009 1.075) 3.282 22.112 ( -0.701 -3.458 -0.846) 3.628 22.112 ( -0.701 3.458 -0.846) 3.628 22.352 ( -5.771 -3.065 0.136) 6.536 22.352 ( -5.771 3.065 0.136) 6.536 26.786 ( -1.074 -0.305 -0.372) 1.177 26.786 ( -1.074 0.305 -0.372) 1.177 27.021 ( -6.795 -1.559 0.636) 7.001 27.021 ( -6.795 1.559 0.636) 7.001 28.486 ( 1.057 -1.528 -0.289) 1.880 28.486 ( 1.057 1.528 -0.289) 1.880 28.656 ( -1.893 -0.256 0.262) 1.928 28.656 ( -1.893 0.256 0.262) 1.928 29.452 ( 0.589 -1.385 0.974) 1.793 29.452 ( 0.589 1.385 0.974) 1.793 30.052 ( 2.350 -2.344 -2.231) 3.999 30.052 ( 2.350 2.344 -2.231) 3.999 30.684 ( 1.913 -1.731 -1.740) 3.112 30.684 ( 1.913 1.731 -1.740) 3.112 30.860 ( 1.202 -2.408 5.205) 5.860 30.860 ( 1.202 2.408 5.205) 5.860 31.132 ( 10.539 -1.965 -1.966) 10.899 31.132 ( 10.539 1.965 -1.966) 10.899 31.340 ( 11.598 -0.336 1.962) 11.767 31.340 ( 11.598 0.336 1.962) 11.767 32.559 ( 10.796 -7.716 -5.088) 14.212 32.559 ( 10.796 7.716 -5.088) 14.212 32.628 ( 8.928 -6.878 0.532) 11.283 32.628 ( 8.928 6.878 0.532) 11.283 33.997 ( -9.624 -4.445 -1.821) 10.756 33.997 ( -9.624 4.445 -1.821) 10.756 34.221 ( -9.525 -8.703 2.402) 13.124 34.221 ( -9.525 8.703 2.402) 13.124 ======================= Grid point 212 (86/88) ======================= q-point: ( 0.30 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 8.626 -5.347 3.231) 10.651 1.672 ( 8.626 5.347 3.231) 10.651 1.836 ( 5.858 -3.277 -8.770) 11.044 1.836 ( 5.858 3.277 -8.770) 11.044 2.059 ( 2.664 -1.724 7.486) 8.131 2.059 ( 2.664 1.724 7.486) 8.131 2.263 ( -1.756 -8.192 3.369) 9.030 2.263 ( -1.756 8.192 3.369) 9.030 2.505 ( -1.124 -4.562 -2.968) 5.557 2.505 ( -1.124 4.562 -2.968) 5.557 2.837 ( 5.883 -6.282 -0.236) 8.610 2.837 ( 5.883 6.282 -0.236) 8.610 3.470 ( 5.233 -2.635 -2.209) 6.262 3.470 ( 5.233 2.635 -2.209) 6.262 3.765 ( 1.367 -5.504 1.531) 5.874 3.765 ( 1.367 5.504 1.531) 5.874 4.105 ( 3.455 -4.238 -0.020) 5.468 4.105 ( 3.455 4.238 -0.020) 5.468 4.309 ( 0.574 -5.086 -6.906) 8.596 4.309 ( 0.574 5.086 -6.906) 8.596 4.419 ( 6.166 -2.683 8.516) 10.851 4.419 ( 6.166 2.683 8.516) 10.851 4.888 ( -1.900 -4.092 -1.313) 4.699 4.888 ( -1.900 4.092 -1.313) 4.699 4.920 ( 6.701 -2.754 -1.745) 7.452 4.920 ( 6.701 2.754 -1.745) 7.452 5.016 ( 6.048 -5.151 -0.815) 7.986 5.016 ( 6.048 5.151 -0.815) 7.986 5.364 ( 17.793 -2.462 -0.630) 17.973 5.364 ( 17.793 2.462 -0.630) 17.973 5.394 ( 6.705 -3.648 1.271) 7.738 5.394 ( 6.705 3.648 1.271) 7.738 5.772 ( 15.371 -4.652 3.084) 16.353 5.772 ( 15.371 4.652 3.084) 16.353 6.135 ( 9.260 -5.189 -6.404) 12.397 6.135 ( 9.260 5.189 -6.404) 12.397 6.312 ( 4.943 -0.067 -1.268) 5.103 6.312 ( 4.943 0.067 -1.268) 5.103 6.548 ( -0.567 -3.921 1.402) 4.203 6.548 ( -0.567 3.921 1.402) 4.203 6.828 ( 1.408 -5.409 4.798) 7.366 6.828 ( 1.408 5.409 4.798) 7.366 7.060 ( -6.541 -8.252 -6.147) 12.193 7.060 ( -6.541 8.252 -6.147) 12.193 7.344 ( 1.816 -5.109 2.467) 5.957 7.344 ( 1.816 5.109 2.467) 5.957 7.622 ( -6.226 -5.904 2.844) 9.040 7.622 ( -6.226 5.904 2.844) 9.040 7.911 ( -6.314 -3.091 -2.896) 7.603 7.911 ( -6.314 3.091 -2.896) 7.603 8.065 ( -6.533 -2.301 4.205) 8.103 8.065 ( -6.533 2.301 4.205) 8.103 9.159 ( 2.165 -2.825 0.186) 3.564 9.159 ( 2.165 2.825 0.186) 3.564 9.340 ( -0.823 -0.286 2.564) 2.708 9.340 ( -0.823 0.286 2.564) 2.708 9.598 ( -0.787 -5.224 -5.530) 7.648 9.598 ( -0.787 5.224 -5.530) 7.648 9.670 ( -2.928 -4.246 2.059) 5.553 9.670 ( -2.928 4.246 2.059) 5.553 10.154 ( -0.771 -4.342 1.467) 4.648 10.154 ( -0.771 4.342 1.467) 4.648 10.350 ( -4.494 -2.677 -3.356) 6.215 10.350 ( -4.494 2.677 -3.356) 6.215 10.746 ( -1.219 -3.749 3.516) 5.282 10.746 ( -1.219 3.749 3.516) 5.282 10.964 ( -1.330 -1.741 -1.619) 2.724 10.964 ( -1.330 1.741 -1.619) 2.724 11.399 ( -3.603 -4.200 3.275) 6.430 11.399 ( -3.603 4.200 3.275) 6.430 11.703 ( -1.646 -6.952 -4.615) 8.506 11.703 ( -1.646 6.952 -4.615) 8.506 12.513 ( 0.275 -1.996 0.126) 2.019 12.513 ( 0.275 1.996 0.126) 2.019 12.763 ( 1.460 -2.228 0.006) 2.664 12.763 ( 1.460 2.228 0.006) 2.664 13.596 ( -4.182 -3.536 2.865) 6.181 13.596 ( -4.182 3.536 2.865) 6.181 13.754 ( -3.496 -4.003 -2.570) 5.903 13.754 ( -3.496 4.003 -2.570) 5.903 14.904 ( 4.945 -2.497 1.569) 5.758 14.904 ( 4.945 2.497 1.569) 5.758 15.123 ( 1.941 -3.596 1.238) 4.270 15.123 ( 1.941 3.596 1.238) 4.270 15.344 ( 1.639 -4.432 -1.922) 5.102 15.344 ( 1.639 4.432 -1.922) 5.102 15.503 ( 0.500 -4.799 -0.841) 4.898 15.503 ( 0.500 4.799 -0.841) 4.898 15.758 ( 0.172 -0.284 -0.077) 0.341 15.758 ( 0.172 0.284 -0.077) 0.341 16.060 ( -7.609 -6.321 -0.080) 9.892 16.060 ( -7.609 6.321 -0.080) 9.892 16.542 ( 2.438 -0.150 0.810) 2.573 16.542 ( 2.438 0.150 0.810) 2.573 16.752 ( 1.759 -3.484 -0.009) 3.903 16.752 ( 1.759 3.484 -0.009) 3.903 17.673 ( -0.674 -1.268 -0.904) 1.697 17.673 ( -0.674 1.268 -0.904) 1.697 17.738 ( -1.569 -1.534 1.167) 2.485 17.738 ( -1.569 1.534 1.167) 2.485 22.094 ( -0.380 -4.536 -0.743) 4.612 22.094 ( -0.380 4.536 -0.743) 4.612 22.259 ( -4.093 -4.933 0.440) 6.425 22.259 ( -4.093 4.933 0.440) 6.425 26.764 ( -0.982 -0.705 -0.038) 1.210 26.764 ( -0.982 0.705 -0.038) 1.210 26.912 ( -4.522 -0.569 0.234) 4.563 26.912 ( -4.522 0.569 0.234) 4.563 28.503 ( 1.216 -1.263 -1.023) 2.030 28.503 ( 1.216 1.263 -1.023) 2.030 28.629 ( -1.231 -0.801 0.572) 1.576 28.629 ( -1.231 0.801 0.572) 1.576 29.478 ( 1.183 -3.022 0.239) 3.254 29.478 ( 1.183 3.022 0.239) 3.254 30.033 ( -2.792 -4.307 -0.597) 5.167 30.033 ( -2.792 4.307 -0.597) 5.167 30.710 ( 2.217 -1.166 -0.808) 2.632 30.710 ( 2.217 1.166 -0.808) 2.632 30.881 ( -1.583 -1.723 3.985) 4.621 30.881 ( -1.583 1.723 3.985) 4.621 31.341 ( 9.899 -2.572 0.421) 10.236 31.341 ( 9.899 2.572 0.421) 10.236 31.546 ( 7.638 -1.171 1.702) 7.913 31.546 ( 7.638 1.171 1.702) 7.913 32.728 ( 11.287 -6.604 -4.771) 13.920 32.728 ( 11.287 6.604 -4.771) 13.920 32.859 ( 12.884 -10.140 0.942) 16.422 32.859 ( 12.884 10.140 0.942) 16.422 33.787 ( -10.343 -5.668 -1.377) 11.875 33.787 ( -10.343 5.668 -1.377) 11.875 34.027 ( -11.265 -9.701 0.364) 14.871 34.027 ( -11.265 9.701 0.364) 14.871 ======================= Grid point 214 (87/88) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( 6.297 -0.454 2.901) 6.948 1.840 ( 6.297 0.454 2.901) 6.948 1.913 ( 5.237 -3.147 -2.147) 6.477 1.913 ( 5.237 3.147 -2.147) 6.477 2.104 ( -2.716 -1.430 1.413) 3.379 2.104 ( -2.716 1.430 1.413) 3.379 2.294 ( 0.246 -5.668 3.015) 6.425 2.294 ( 0.246 5.668 3.015) 6.425 2.499 ( 5.441 -5.823 -0.993) 8.031 2.499 ( 5.441 5.823 -0.993) 8.031 2.838 ( -4.785 -8.244 -2.353) 9.818 2.838 ( -4.785 8.244 -2.353) 9.818 3.517 ( 3.307 -2.031 -0.976) 4.002 3.517 ( 3.307 2.031 -0.976) 4.002 3.820 ( 0.332 -3.851 1.098) 4.019 3.820 ( 0.332 3.851 1.098) 4.019 4.172 ( 2.421 -3.060 2.276) 4.518 4.172 ( 2.421 3.060 2.276) 4.518 4.315 ( 5.323 -4.097 -3.191) 7.437 4.315 ( 5.323 4.097 -3.191) 7.437 4.529 ( -0.519 -2.216 5.622) 6.065 4.529 ( -0.519 2.216 5.622) 6.065 4.803 ( -4.144 -4.695 -4.145) 7.510 4.803 ( -4.144 4.695 -4.145) 7.510 5.052 ( 8.311 -1.768 -0.022) 8.497 5.052 ( 8.311 1.768 -0.022) 8.497 5.146 ( 5.665 -4.830 -0.012) 7.444 5.146 ( 5.665 4.830 -0.012) 7.444 5.460 ( 2.419 -3.106 -2.425) 4.624 5.460 ( 2.419 3.106 -2.425) 4.624 5.697 ( 12.211 -1.697 1.758) 12.453 5.697 ( 12.211 1.697 1.758) 12.453 6.075 ( 10.210 -4.741 6.754) 13.127 6.075 ( 10.210 4.741 6.754) 13.127 6.229 ( 4.333 -3.055 -5.266) 7.472 6.229 ( 4.333 3.055 -5.266) 7.472 6.357 ( 3.847 -2.557 -0.049) 4.619 6.357 ( 3.847 2.557 -0.049) 4.619 6.593 ( 2.685 -3.690 -3.453) 5.723 6.593 ( 2.685 3.690 -3.453) 5.723 6.761 ( -7.700 -2.721 -1.766) 8.356 6.761 ( -7.700 2.721 -1.766) 8.356 6.976 ( 0.133 -7.033 0.575) 7.058 6.976 ( 0.133 7.033 0.575) 7.058 7.421 ( 2.557 -3.925 2.165) 5.161 7.421 ( 2.557 3.925 2.165) 5.161 7.548 ( -3.193 -3.156 3.705) 5.821 7.548 ( -3.193 3.156 3.705) 5.821 7.753 ( -5.909 -2.276 -4.188) 7.592 7.753 ( -5.909 2.276 -4.188) 7.592 7.982 ( -4.898 -2.039 2.618) 5.916 7.982 ( -4.898 2.039 2.618) 5.916 9.205 ( 2.473 -2.779 -0.356) 3.737 9.205 ( 2.473 2.779 -0.356) 3.737 9.316 ( -3.298 -1.099 1.732) 3.884 9.316 ( -3.298 1.099 1.732) 3.884 9.562 ( 1.783 -3.172 -5.114) 6.276 9.562 ( 1.783 3.172 -5.114) 6.276 9.632 ( -3.086 -3.853 3.119) 5.839 9.632 ( -3.086 3.853 3.119) 5.839 10.166 ( 0.627 -2.260 1.058) 2.573 10.166 ( 0.627 2.260 1.058) 2.573 10.259 ( -2.355 -1.419 -1.856) 3.317 10.259 ( -2.355 1.419 -1.856) 3.317 10.745 ( -1.540 -2.499 1.403) 3.254 10.745 ( -1.540 2.499 1.403) 3.254 10.934 ( -0.290 -2.066 -0.667) 2.190 10.934 ( -0.290 2.066 -0.667) 2.190 11.404 ( 0.268 -3.588 5.491) 6.565 11.404 ( 0.268 3.588 5.491) 6.565 11.610 ( -3.265 -4.409 -5.728) 7.932 11.610 ( -3.265 4.409 -5.728) 7.932 12.516 ( 0.162 -1.247 -0.179) 1.270 12.516 ( 0.162 1.247 -0.179) 1.270 12.785 ( 0.771 -1.678 -0.047) 1.847 12.785 ( 0.771 1.678 -0.047) 1.847 13.571 ( -1.438 -3.823 3.415) 5.324 13.571 ( -1.438 3.823 3.415) 5.324 13.677 ( -2.000 -4.318 -3.069) 5.663 13.677 ( -2.000 4.318 -3.069) 5.663 14.996 ( 3.610 -2.837 -0.766) 4.655 14.996 ( 3.610 2.837 -0.766) 4.655 15.157 ( 0.705 -2.318 0.685) 2.518 15.157 ( 0.705 2.318 0.685) 2.518 15.363 ( 1.170 -3.490 0.958) 3.803 15.363 ( 1.170 3.490 0.958) 3.803 15.507 ( 0.458 -2.241 -0.675) 2.385 15.507 ( 0.458 2.241 -0.675) 2.385 15.764 ( 0.616 -0.307 -0.403) 0.797 15.764 ( 0.616 0.307 -0.403) 0.797 15.920 ( -5.933 -4.499 -0.584) 7.468 15.920 ( -5.933 4.499 -0.584) 7.468 16.587 ( 1.348 -1.935 1.110) 2.606 16.587 ( 1.348 1.935 1.110) 2.606 16.771 ( 0.582 -2.612 -0.674) 2.760 16.771 ( 0.582 2.612 -0.674) 2.760 17.656 ( -0.588 -0.779 -0.275) 1.014 17.656 ( -0.588 0.779 -0.275) 1.014 17.726 ( -0.526 -0.824 0.507) 1.101 17.726 ( -0.526 0.824 0.507) 1.101 22.088 ( 0.156 -4.023 -0.242) 4.033 22.088 ( 0.156 4.023 -0.242) 4.033 22.199 ( -2.330 -4.681 0.176) 5.232 22.199 ( -2.330 4.681 0.176) 5.232 26.747 ( -0.713 -0.649 0.042) 0.965 26.747 ( -0.713 0.649 0.042) 0.965 26.854 ( -1.861 -0.330 0.166) 1.897 26.854 ( -1.861 0.330 0.166) 1.897 28.518 ( 1.151 -0.760 -0.946) 1.673 28.518 ( 1.151 0.760 -0.946) 1.673 28.614 ( -0.925 -0.721 0.617) 1.325 28.614 ( -0.925 0.721 0.617) 1.325 29.496 ( 0.928 -3.119 -0.755) 3.341 29.496 ( 0.928 3.119 -0.755) 3.341 29.962 ( -3.643 -3.363 0.592) 4.993 29.962 ( -3.643 3.363 0.592) 4.993 30.754 ( 2.409 -0.977 -0.149) 2.604 30.754 ( 2.409 0.977 -0.149) 2.604 30.879 ( -1.335 -1.002 2.252) 2.804 30.879 ( -1.335 1.002 2.252) 2.804 31.486 ( 4.561 -2.293 0.569) 5.137 31.486 ( 4.561 2.293 0.569) 5.137 31.662 ( 3.427 -0.962 1.027) 3.705 31.662 ( 3.427 0.962 1.027) 3.705 32.917 ( 11.788 -6.507 -4.083) 14.070 32.917 ( 11.788 6.507 -4.083) 14.070 33.080 ( 6.435 -12.239 3.169) 14.187 33.080 ( 6.435 12.239 3.169) 14.187 33.606 ( -5.522 -10.248 -2.026) 11.816 33.606 ( -5.522 10.248 -2.026) 11.816 33.812 ( -10.664 -10.847 -0.251) 15.213 33.812 ( -10.664 10.847 -0.251) 15.213 ======================= Grid point 216 (88/88) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( 0.000 -0.000 -0.000) 0.000 1.944 ( 0.000 0.000 0.000) 0.000 1.956 ( 0.000 0.000 -0.000) 0.000 1.956 ( -0.000 0.000 0.000) 0.000 2.054 ( -0.000 0.000 -0.000) 0.000 2.054 ( 0.000 0.000 0.000) 0.000 2.284 ( -0.000 0.000 -0.000) 0.000 2.284 ( 0.000 0.000 0.000) 0.000 2.660 ( -0.000 -0.000 -0.000) 0.000 2.660 ( -0.000 0.000 0.000) 0.000 2.687 ( 0.000 0.000 0.000) 0.000 2.687 ( 0.000 0.000 0.000) 0.000 3.560 ( 0.000 -0.000 -0.000) 0.000 3.560 ( 0.000 0.000 0.000) 0.000 3.803 ( 0.000 0.000 0.000) 0.000 3.803 ( 0.000 0.000 0.000) 0.000 4.215 ( 0.000 0.000 -0.000) 0.000 4.215 ( 0.000 0.000 0.000) 0.000 4.396 ( -0.000 0.000 -0.000) 0.000 4.396 ( 0.000 0.000 0.000) 0.000 4.537 ( 0.000 -0.000 0.000) 0.000 4.537 ( 0.000 0.000 0.000) 0.000 4.715 ( 0.000 0.000 -0.000) 0.000 4.715 ( 0.000 0.000 -0.000) 0.000 5.165 ( 0.000 0.000 -0.000) 0.000 5.165 ( -0.000 0.000 0.000) 0.000 5.196 ( 0.000 -0.000 -0.000) 0.000 5.196 ( -0.000 0.000 0.000) 0.000 5.460 ( 0.000 0.000 -0.000) 0.000 5.460 ( 0.000 0.000 -0.000) 0.000 5.826 ( 0.000 0.000 -0.000) 0.000 5.826 ( 0.000 0.000 0.000) 0.000 6.173 ( 0.000 0.000 0.000) 0.000 6.173 ( 0.000 0.000 0.000) 0.000 6.309 ( 0.000 0.000 -0.000) 0.000 6.309 ( 0.000 0.000 -0.000) 0.000 6.420 ( 0.000 0.000 -0.000) 0.000 6.420 ( 0.000 -0.000 0.000) 0.000 6.517 ( 0.000 0.000 -0.000) 0.000 6.517 ( 0.000 0.000 -0.000) 0.000 6.714 ( 0.000 0.000 -0.000) 0.000 6.714 ( 0.000 0.000 -0.000) 0.000 6.977 ( 0.000 0.000 0.000) 0.000 6.977 ( 0.000 0.000 -0.000) 0.000 7.446 ( 0.000 0.000 -0.000) 0.000 7.446 ( 0.000 0.000 0.000) 0.000 7.556 ( 0.000 0.000 -0.000) 0.000 7.556 ( 0.000 0.000 0.000) 0.000 7.663 ( 0.000 0.000 0.000) 0.000 7.663 ( 0.000 0.000 0.000) 0.000 7.939 ( 0.000 0.000 -0.000) 0.000 7.939 ( 0.000 0.000 0.000) 0.000 9.241 ( 0.000 0.000 -0.000) 0.000 9.241 ( 0.000 0.000 0.000) 0.000 9.272 ( 0.000 0.000 -0.000) 0.000 9.272 ( 0.000 0.000 0.000) 0.000 9.566 ( 0.000 0.000 -0.000) 0.000 9.566 ( 0.000 0.000 0.000) 0.000 9.611 ( 0.000 0.000 -0.000) 0.000 9.611 ( 0.000 0.000 0.000) 0.000 10.180 ( 0.000 0.000 0.000) 0.000 10.180 ( 0.000 0.000 0.000) 0.000 10.229 ( 0.000 0.000 -0.000) 0.000 10.229 ( 0.000 0.000 -0.000) 0.000 10.729 ( 0.000 0.000 -0.000) 0.000 10.729 ( 0.000 0.000 -0.000) 0.000 10.933 ( 0.000 0.000 0.000) 0.000 10.933 ( 0.000 0.000 0.000) 0.000 11.466 ( 0.000 0.000 -0.000) 0.000 11.466 ( 0.000 0.000 0.000) 0.000 11.518 ( -0.000 -0.000 -0.000) 0.000 11.518 ( 0.000 0.000 0.000) 0.000 12.517 ( 0.000 0.000 -0.000) 0.000 12.517 ( 0.000 0.000 0.000) 0.000 12.792 ( 0.000 0.000 -0.000) 0.000 12.792 ( 0.000 0.000 0.000) 0.000 13.578 ( 0.000 0.000 -0.000) 0.000 13.578 ( 0.000 0.000 -0.000) 0.000 13.639 ( 0.000 0.000 0.000) 0.000 13.639 ( 0.000 0.000 0.000) 0.000 15.026 ( 0.000 0.000 -0.000) 0.000 15.026 ( 0.000 0.000 0.000) 0.000 15.165 ( 0.000 0.000 0.000) 0.000 15.165 ( 0.000 0.000 -0.000) 0.000 15.389 ( 0.000 -0.000 -0.000) 0.000 15.389 ( 0.000 0.000 -0.000) 0.000 15.506 ( 0.000 0.000 0.000) 0.000 15.506 ( 0.000 0.000 0.000) 0.000 15.772 ( 0.000 -0.000 0.000) 0.000 15.772 ( 0.000 0.000 -0.000) 0.000 15.851 ( 0.000 0.000 -0.000) 0.000 15.851 ( 0.000 0.000 -0.000) 0.000 16.606 ( 0.000 0.000 -0.000) 0.000 16.606 ( 0.000 0.000 0.000) 0.000 16.772 ( 0.000 0.000 -0.000) 0.000 16.772 ( 0.000 0.000 0.000) 0.000 17.649 ( 0.000 0.000 -0.000) 0.000 17.649 ( 0.000 0.000 0.000) 0.000 17.723 ( 0.000 0.000 -0.000) 0.000 17.723 ( 0.000 0.000 0.000) 0.000 22.090 ( 0.000 0.000 -0.000) 0.000 22.090 ( 0.000 0.000 0.000) 0.000 22.176 ( 0.000 0.000 -0.000) 0.000 22.176 ( 0.000 0.000 0.000) 0.000 26.740 ( 0.000 0.000 0.000) 0.000 26.740 ( 0.000 0.000 0.000) 0.000 26.837 ( 0.000 0.000 -0.000) 0.000 26.837 ( 0.000 0.000 0.000) 0.000 28.527 ( 0.000 0.000 -0.000) 0.000 28.527 ( 0.000 0.000 0.000) 0.000 28.606 ( 0.000 0.000 -0.000) 0.000 28.606 ( 0.000 0.000 0.000) 0.000 29.502 ( 0.000 0.000 -0.000) 0.000 29.502 ( 0.000 0.000 0.000) 0.000 29.926 ( 0.000 0.000 0.000) 0.000 29.926 ( 0.000 0.000 0.000) 0.000 30.782 ( 0.000 0.000 -0.000) 0.000 30.782 ( 0.000 0.000 0.000) 0.000 30.872 ( 0.000 0.000 -0.000) 0.000 30.872 ( 0.000 0.000 0.000) 0.000 31.531 ( 0.000 0.000 -0.000) 0.000 31.531 ( 0.000 0.000 0.000) 0.000 31.699 ( 0.000 0.000 -0.000) 0.000 31.699 ( 0.000 0.000 0.000) 0.000 33.078 ( 0.000 -0.000 -0.000) 0.000 33.078 ( -0.000 0.000 0.000) 0.000 33.100 ( 0.000 0.000 -0.000) 0.000 33.100 ( -0.000 0.000 0.000) 0.000 33.586 ( -0.000 0.000 -0.000) 0.000 33.586 ( 0.000 0.000 -0.000) 0.000 33.658 ( -0.000 -0.000 -0.000) 0.000 33.658 ( 0.000 -0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/31680 10.0 272.515 290.626 290.605 0.000 -29.196 0.000 3/31680 20.0 58.043 43.838 47.521 0.000 -7.796 0.000 3/31680 30.0 24.344 17.318 19.282 0.000 -3.313 0.000 3/31680 40.0 13.606 9.608 10.672 0.000 -1.805 0.000 3/31680 50.0 8.985 6.317 6.952 0.000 -1.139 0.000 3/31680 60.0 6.579 4.586 5.005 0.000 -0.793 0.000 3/31680 70.0 5.153 3.551 3.853 0.000 -0.591 0.000 3/31680 80.0 4.225 2.877 3.110 0.000 -0.464 0.000 3/31680 90.0 3.579 2.411 2.600 0.000 -0.378 0.000 3/31680 100.0 3.106 2.073 2.232 0.000 -0.317 0.000 3/31680 110.0 2.746 1.818 1.956 0.000 -0.272 0.000 3/31680 120.0 2.462 1.621 1.741 0.000 -0.238 0.000 3/31680 130.0 2.234 1.464 1.570 0.000 -0.211 0.000 3/31680 140.0 2.047 1.336 1.431 0.000 -0.189 0.000 3/31680 150.0 1.890 1.231 1.316 0.000 -0.171 0.000 3/31680 160.0 1.758 1.142 1.219 0.000 -0.156 0.000 3/31680 170.0 1.644 1.067 1.137 0.000 -0.144 0.000 3/31680 180.0 1.545 1.002 1.065 0.000 -0.133 0.000 3/31680 190.0 1.459 0.946 1.003 0.000 -0.124 0.000 3/31680 200.0 1.383 0.896 0.948 0.000 -0.116 0.000 3/31680 210.0 1.316 0.852 0.900 0.000 -0.109 0.000 3/31680 220.0 1.255 0.812 0.856 0.000 -0.103 0.000 3/31680 230.0 1.201 0.777 0.818 0.000 -0.097 0.000 3/31680 240.0 1.152 0.745 0.783 0.000 -0.092 0.000 3/31680 250.0 1.107 0.716 0.751 0.000 -0.088 0.000 3/31680 260.0 1.067 0.690 0.722 0.000 -0.084 0.000 3/31680 270.0 1.029 0.666 0.695 0.000 -0.080 0.000 3/31680 280.0 0.995 0.643 0.671 0.000 -0.077 0.000 3/31680 290.0 0.964 0.623 0.648 0.000 -0.074 0.000 3/31680 300.0 0.934 0.603 0.627 0.000 -0.071 0.000 3/31680 310.0 0.907 0.586 0.608 0.000 -0.069 0.000 3/31680 320.0 0.882 0.569 0.590 0.000 -0.066 0.000 3/31680 330.0 0.858 0.553 0.573 0.000 -0.064 0.000 3/31680 340.0 0.835 0.539 0.557 0.000 -0.062 0.000 3/31680 350.0 0.814 0.525 0.542 0.000 -0.060 0.000 3/31680 360.0 0.795 0.512 0.528 0.000 -0.059 0.000 3/31680 370.0 0.776 0.500 0.514 0.000 -0.057 0.000 3/31680 380.0 0.758 0.488 0.502 0.000 -0.055 0.000 3/31680 390.0 0.741 0.477 0.490 0.000 -0.054 0.000 3/31680 400.0 0.725 0.466 0.479 0.000 -0.053 0.000 3/31680 410.0 0.710 0.456 0.468 0.000 -0.051 0.000 3/31680 420.0 0.695 0.447 0.458 0.000 -0.050 0.000 3/31680 430.0 0.681 0.438 0.448 0.000 -0.049 0.000 3/31680 440.0 0.668 0.429 0.439 0.000 -0.048 0.000 3/31680 450.0 0.655 0.421 0.430 0.000 -0.047 0.000 3/31680 460.0 0.643 0.413 0.421 0.000 -0.046 0.000 3/31680 470.0 0.631 0.405 0.413 0.000 -0.045 0.000 3/31680 480.0 0.620 0.398 0.405 0.000 -0.044 0.000 3/31680 490.0 0.609 0.390 0.398 0.000 -0.043 0.000 3/31680 500.0 0.598 0.384 0.390 0.000 -0.042 0.000 3/31680 510.0 0.588 0.377 0.383 0.000 -0.042 0.000 3/31680 520.0 0.579 0.371 0.377 0.000 -0.041 0.000 3/31680 530.0 0.569 0.364 0.370 0.000 -0.040 0.000 3/31680 540.0 0.560 0.358 0.364 0.000 -0.039 0.000 3/31680 550.0 0.551 0.353 0.358 0.000 -0.039 0.000 3/31680 560.0 0.542 0.347 0.352 0.000 -0.038 0.000 3/31680 570.0 0.534 0.342 0.346 0.000 -0.037 0.000 3/31680 580.0 0.526 0.336 0.341 0.000 -0.037 0.000 3/31680 590.0 0.518 0.331 0.335 0.000 -0.036 0.000 3/31680 600.0 0.511 0.326 0.330 0.000 -0.036 0.000 3/31680 610.0 0.503 0.322 0.325 0.000 -0.035 0.000 3/31680 620.0 0.496 0.317 0.320 0.000 -0.034 0.000 3/31680 630.0 0.489 0.313 0.316 0.000 -0.034 0.000 3/31680 640.0 0.483 0.308 0.311 0.000 -0.033 0.000 3/31680 650.0 0.476 0.304 0.307 0.000 -0.033 0.000 3/31680 660.0 0.470 0.300 0.302 0.000 -0.033 0.000 3/31680 670.0 0.463 0.296 0.298 0.000 -0.032 0.000 3/31680 680.0 0.457 0.292 0.294 0.000 -0.032 0.000 3/31680 690.0 0.451 0.288 0.290 0.000 -0.031 0.000 3/31680 700.0 0.446 0.284 0.286 0.000 -0.031 0.000 3/31680 710.0 0.440 0.281 0.283 0.000 -0.030 0.000 3/31680 720.0 0.434 0.277 0.279 0.000 -0.030 0.000 3/31680 730.0 0.429 0.274 0.275 0.000 -0.030 0.000 3/31680 740.0 0.424 0.270 0.272 0.000 -0.029 0.000 3/31680 750.0 0.419 0.267 0.268 0.000 -0.029 0.000 3/31680 760.0 0.414 0.264 0.265 0.000 -0.028 0.000 3/31680 770.0 0.409 0.261 0.262 0.000 -0.028 0.000 3/31680 780.0 0.404 0.258 0.259 0.000 -0.028 0.000 3/31680 790.0 0.399 0.255 0.256 0.000 -0.027 0.000 3/31680 800.0 0.395 0.252 0.253 0.000 -0.027 0.000 3/31680 810.0 0.390 0.249 0.250 0.000 -0.027 0.000 3/31680 820.0 0.386 0.246 0.247 0.000 -0.026 0.000 3/31680 830.0 0.382 0.243 0.244 0.000 -0.026 0.000 3/31680 840.0 0.378 0.241 0.241 0.000 -0.026 0.000 3/31680 850.0 0.374 0.238 0.239 0.000 -0.026 0.000 3/31680 860.0 0.370 0.235 0.236 0.000 -0.025 0.000 3/31680 870.0 0.366 0.233 0.233 0.000 -0.025 0.000 3/31680 880.0 0.362 0.230 0.231 0.000 -0.025 0.000 3/31680 890.0 0.358 0.228 0.229 0.000 -0.025 0.000 3/31680 900.0 0.354 0.226 0.226 0.000 -0.024 0.000 3/31680 910.0 0.351 0.223 0.224 0.000 -0.024 0.000 3/31680 920.0 0.347 0.221 0.221 0.000 -0.024 0.000 3/31680 930.0 0.344 0.219 0.219 0.000 -0.023 0.000 3/31680 940.0 0.340 0.217 0.217 0.000 -0.023 0.000 3/31680 950.0 0.337 0.215 0.215 0.000 -0.023 0.000 3/31680 960.0 0.334 0.212 0.213 0.000 -0.023 0.000 3/31680 970.0 0.331 0.210 0.211 0.000 -0.023 0.000 3/31680 980.0 0.327 0.208 0.208 0.000 -0.022 0.000 3/31680 990.0 0.324 0.206 0.206 0.000 -0.022 0.000 3/31680 1000.0 0.321 0.204 0.205 0.000 -0.022 0.000 3/31680 Thermal conductivity related properties were written into "kappa-m1064.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:45:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|