----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 08:37:04]------------------------- 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: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Ibca (73) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.438231915000000 4.823835289999999 7.016206164999998 b 2.438231915000000 -4.823835289999999 7.016206164999998 c 2.438231915000000 4.823835289999999 -7.016206164999998 Atomic positions (fractional): *1 Ta 0.33044433229074 0.08044433229074 0.25000000000000 180.948 2 Ta 0.16955566770926 0.41955566770926 0.75000000000000 180.948 3 Ta 0.66955566770926 0.91955566770926 0.75000000000000 180.948 4 Ta 0.83044433229074 0.58044433229074 0.25000000000000 180.948 *5 N 0.36750772969529 0.25000000000000 0.61750772969529 14.007 6 N 0.13249227030471 0.75000000000000 0.88249227030471 14.007 7 N 0.63249227030471 0.75000000000000 0.38249227030471 14.007 8 N 0.86750772969529 0.25000000000000 0.11750772969529 14.007 *9 N 0.28843735306482 0.34596458656492 0.30626592056714 14.007 10 N 0.21156264693518 0.51782856750232 0.05752723350010 14.007 11 N 0.96030133400222 0.15403541343508 0.44247276649990 14.007 12 N 0.53969866599778 0.98217143249768 0.19373407943286 14.007 13 N 0.71156264693518 0.65403541343508 0.69373407943286 14.007 14 N 0.78843735306482 0.48217143249768 0.94247276649990 14.007 15 N 0.03969866599778 0.84596458656492 0.55752723350010 14.007 16 N 0.46030133400222 0.01782856750232 0.80626592056714 14.007 *17 Li 0.54999401338871 0.61122042297523 0.99125776135152 6.941 18 Li 0.95000598661129 0.94126374796281 0.06122640958652 6.941 19 Li 0.38003733837629 0.88877957702477 0.43877359041348 6.941 20 Li 0.11996266162371 0.55873625203719 0.50874223864848 6.941 21 Li 0.45000598661129 0.38877957702477 0.00874223864848 6.941 22 Li 0.04999401338871 0.05873625203719 0.93877359041348 6.941 23 Li 0.61996266162371 0.11122042297523 0.56122640958652 6.941 24 Li 0.88003733837629 0.44126374796281 0.49125776135152 6.941 *25 Li 0.52483089464261 0.27483089464261 0.25000000000000 6.941 26 Li 0.97516910535739 0.22516910535739 0.75000000000000 6.941 27 Li 0.47516910535739 0.72516910535739 0.75000000000000 6.941 28 Li 0.02483089464261 0.77483089464261 0.25000000000000 6.941 *29 Li 0.25000000000000 0.65729134194072 0.40729134194072 6.941 30 Li 0.75000000000000 0.84270865805928 0.09270865805928 6.941 31 Li 0.75000000000000 0.34270865805928 0.59270865805928 6.941 32 Li 0.25000000000000 0.15729134194072 0.90729134194072 6.941 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.876463830000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.647670579999998 0.000000000000000 c 0.000000000000000 0.000000000000000 14.032412329999996 Atomic positions (fractional): *1 Ta 0.00000000000000 0.25000000000000 0.08044433229074 180.948 > 1 2 Ta 0.50000000000000 0.25000000000000 0.91955566770926 180.948 > 2 3 Ta 0.00000000000000 0.75000000000000 0.91955566770926 180.948 > 3 4 Ta 0.50000000000000 0.75000000000000 0.08044433229074 180.948 > 4 5 Ta 0.50000000000000 0.75000000000000 0.58044433229074 180.948 > 1 6 Ta 0.00000000000000 0.75000000000000 0.41955566770926 180.948 > 2 7 Ta 0.50000000000000 0.25000000000000 0.41955566770926 180.948 > 3 8 Ta 0.00000000000000 0.25000000000000 0.58044433229074 180.948 > 4 *9 N 0.25000000000000 0.36750772969529 0.00000000000000 14.007 > 5 10 N 0.75000000000000 0.13249227030471 0.00000000000000 14.007 > 6 11 N 0.75000000000000 0.63249227030471 0.00000000000000 14.007 > 7 12 N 0.25000000000000 0.86750772969529 0.00000000000000 14.007 > 8 *13 N 0.68189657703362 0.62436934353352 0.66406800953130 14.007 > 9 14 N 0.68189657703362 0.37563065646648 0.83593199046870 14.007 > 10 15 N 0.81810342296638 0.62436934353352 0.33593199046870 14.007 > 11 16 N 0.81810342296638 0.37563065646648 0.16406800953130 14.007 > 12 17 N 0.31810342296638 0.37563065646648 0.33593199046870 14.007 > 13 18 N 0.31810342296638 0.62436934353352 0.16406800953130 14.007 > 14 19 N 0.18189657703362 0.37563065646648 0.66406800953130 14.007 > 15 20 N 0.18189657703362 0.62436934353352 0.83593199046870 14.007 > 16 21 N 0.75000000000000 0.86750772969529 0.50000000000000 14.007 > 5 22 N 0.25000000000000 0.63249227030471 0.50000000000000 14.007 > 6 23 N 0.25000000000000 0.13249227030471 0.50000000000000 14.007 > 7 24 N 0.75000000000000 0.36750772969529 0.50000000000000 14.007 > 8 25 N 0.18189657703362 0.12436934353352 0.16406800953130 14.007 > 9 26 N 0.18189657703362 0.87563065646648 0.33593199046870 14.007 > 10 27 N 0.31810342296638 0.12436934353352 0.83593199046870 14.007 > 11 28 N 0.31810342296638 0.87563065646648 0.66406800953130 14.007 > 12 29 N 0.81810342296638 0.87563065646648 0.83593199046870 14.007 > 13 30 N 0.81810342296638 0.12436934353352 0.66406800953130 14.007 > 14 31 N 0.68189657703362 0.87563065646648 0.16406800953130 14.007 > 15 32 N 0.68189657703362 0.12436934353352 0.33593199046870 14.007 > 16 *33 Li 0.52624208546902 0.46501567588250 0.08497833750621 6.941 > 17 34 Li 0.52624208546902 0.53498432411750 0.41502166249379 6.941 > 18 35 Li 0.97375791453098 0.46501567588250 0.91502166249379 6.941 > 19 36 Li 0.97375791453098 0.53498432411750 0.58497833750621 6.941 > 20 37 Li 0.47375791453098 0.53498432411750 0.91502166249379 6.941 > 21 38 Li 0.47375791453098 0.46501567588250 0.58497833750621 6.941 > 22 39 Li 0.02624208546902 0.53498432411750 0.08497833750621 6.941 > 23 40 Li 0.02624208546902 0.46501567588250 0.41502166249379 6.941 > 24 *41 Li 0.50000000000000 0.75000000000000 0.77483089464261 6.941 > 25 42 Li 0.00000000000000 0.75000000000000 0.22516910535739 6.941 > 26 43 Li 0.50000000000000 0.25000000000000 0.22516910535739 6.941 > 27 44 Li 0.00000000000000 0.25000000000000 0.77483089464261 6.941 > 28 *45 Li 0.90729134194072 0.50000000000000 0.75000000000000 6.941 > 29 46 Li 0.59270865805928 0.50000000000000 0.25000000000000 6.941 > 30 47 Li 0.09270865805928 0.50000000000000 0.25000000000000 6.941 > 31 48 Li 0.40729134194072 0.50000000000000 0.75000000000000 6.941 > 32 49 Li 0.02624208546902 0.96501567588250 0.58497833750621 6.941 > 17 50 Li 0.02624208546902 0.03498432411750 0.91502166249379 6.941 > 18 51 Li 0.47375791453098 0.96501567588250 0.41502166249379 6.941 > 19 52 Li 0.47375791453098 0.03498432411750 0.08497833750621 6.941 > 20 53 Li 0.97375791453098 0.03498432411750 0.41502166249379 6.941 > 21 54 Li 0.97375791453098 0.96501567588250 0.08497833750621 6.941 > 22 55 Li 0.52624208546902 0.03498432411750 0.58497833750621 6.941 > 23 56 Li 0.52624208546902 0.96501567588250 0.91502166249379 6.941 > 24 57 Li 0.00000000000000 0.25000000000000 0.27483089464261 6.941 > 25 58 Li 0.50000000000000 0.25000000000000 0.72516910535739 6.941 > 26 59 Li 0.00000000000000 0.75000000000000 0.72516910535739 6.941 > 27 60 Li 0.50000000000000 0.75000000000000 0.27483089464261 6.941 > 28 61 Li 0.40729134194072 0.00000000000000 0.25000000000000 6.941 > 29 62 Li 0.09270865805928 0.00000000000000 0.75000000000000 6.941 > 30 63 Li 0.59270865805928 0.00000000000000 0.75000000000000 6.941 > 31 64 Li 0.90729134194072 0.00000000000000 0.25000000000000 6.941 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.752927659999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.647670579999998 0.000000000000000 c 0.000000000000000 0.000000000000000 14.032412329999996 Atomic positions (fractional): *1 Ta 0.00000000000000 0.25000000000000 0.08044433229074 180.948 > 1 2 Ta 0.50000000000000 0.25000000000000 0.08044433229074 180.948 > 1 3 Ta 0.25000000000000 0.25000000000000 0.91955566770926 180.948 > 2 4 Ta 0.75000000000000 0.25000000000000 0.91955566770926 180.948 > 2 5 Ta 0.00000000000000 0.75000000000000 0.91955566770926 180.948 > 3 6 Ta 0.50000000000000 0.75000000000000 0.91955566770926 180.948 > 3 7 Ta 0.25000000000000 0.75000000000000 0.08044433229074 180.948 > 4 8 Ta 0.75000000000000 0.75000000000000 0.08044433229074 180.948 > 4 9 Ta 0.25000000000000 0.75000000000000 0.58044433229074 180.948 > 1 10 Ta 0.75000000000000 0.75000000000000 0.58044433229074 180.948 > 1 11 Ta 0.00000000000000 0.75000000000000 0.41955566770926 180.948 > 2 12 Ta 0.50000000000000 0.75000000000000 0.41955566770926 180.948 > 2 13 Ta 0.25000000000000 0.25000000000000 0.41955566770926 180.948 > 3 14 Ta 0.75000000000000 0.25000000000000 0.41955566770926 180.948 > 3 15 Ta 0.00000000000000 0.25000000000000 0.58044433229074 180.948 > 4 16 Ta 0.50000000000000 0.25000000000000 0.58044433229074 180.948 > 4 *17 N 0.12500000000000 0.36750772969529 0.00000000000000 14.007 > 5 18 N 0.62500000000000 0.36750772969529 0.00000000000000 14.007 > 5 19 N 0.37500000000000 0.13249227030471 0.00000000000000 14.007 > 6 20 N 0.87500000000000 0.13249227030471 0.00000000000000 14.007 > 6 21 N 0.37500000000000 0.63249227030471 0.00000000000000 14.007 > 7 22 N 0.87500000000000 0.63249227030471 0.00000000000000 14.007 > 7 23 N 0.12500000000000 0.86750772969529 0.00000000000000 14.007 > 8 24 N 0.62500000000000 0.86750772969529 0.00000000000000 14.007 > 8 *25 N 0.34094828851681 0.62436934353352 0.66406800953130 14.007 > 9 26 N 0.84094828851681 0.62436934353352 0.66406800953130 14.007 > 9 27 N 0.34094828851681 0.37563065646648 0.83593199046870 14.007 > 10 28 N 0.84094828851681 0.37563065646648 0.83593199046870 14.007 > 10 29 N 0.40905171148319 0.62436934353352 0.33593199046870 14.007 > 11 30 N 0.90905171148319 0.62436934353352 0.33593199046870 14.007 > 11 31 N 0.40905171148319 0.37563065646648 0.16406800953130 14.007 > 12 32 N 0.90905171148319 0.37563065646648 0.16406800953130 14.007 > 12 33 N 0.15905171148319 0.37563065646648 0.33593199046870 14.007 > 13 34 N 0.65905171148319 0.37563065646648 0.33593199046870 14.007 > 13 35 N 0.15905171148319 0.62436934353352 0.16406800953130 14.007 > 14 36 N 0.65905171148319 0.62436934353352 0.16406800953130 14.007 > 14 37 N 0.09094828851681 0.37563065646648 0.66406800953130 14.007 > 15 38 N 0.59094828851681 0.37563065646648 0.66406800953130 14.007 > 15 39 N 0.09094828851681 0.62436934353352 0.83593199046870 14.007 > 16 40 N 0.59094828851681 0.62436934353352 0.83593199046870 14.007 > 16 41 N 0.37500000000000 0.86750772969529 0.50000000000000 14.007 > 5 42 N 0.87500000000000 0.86750772969529 0.50000000000000 14.007 > 5 43 N 0.12500000000000 0.63249227030471 0.50000000000000 14.007 > 6 44 N 0.62500000000000 0.63249227030471 0.50000000000000 14.007 > 6 45 N 0.12500000000000 0.13249227030471 0.50000000000000 14.007 > 7 46 N 0.62500000000000 0.13249227030471 0.50000000000000 14.007 > 7 47 N 0.37500000000000 0.36750772969529 0.50000000000000 14.007 > 8 48 N 0.87500000000000 0.36750772969529 0.50000000000000 14.007 > 8 49 N 0.09094828851681 0.12436934353352 0.16406800953130 14.007 > 9 50 N 0.59094828851681 0.12436934353352 0.16406800953130 14.007 > 9 51 N 0.09094828851681 0.87563065646648 0.33593199046870 14.007 > 10 52 N 0.59094828851681 0.87563065646648 0.33593199046870 14.007 > 10 53 N 0.15905171148319 0.12436934353352 0.83593199046870 14.007 > 11 54 N 0.65905171148319 0.12436934353352 0.83593199046870 14.007 > 11 55 N 0.15905171148319 0.87563065646648 0.66406800953130 14.007 > 12 56 N 0.65905171148319 0.87563065646648 0.66406800953130 14.007 > 12 57 N 0.40905171148319 0.87563065646648 0.83593199046870 14.007 > 13 58 N 0.90905171148319 0.87563065646648 0.83593199046870 14.007 > 13 59 N 0.40905171148319 0.12436934353352 0.66406800953130 14.007 > 14 60 N 0.90905171148319 0.12436934353352 0.66406800953130 14.007 > 14 61 N 0.34094828851681 0.87563065646648 0.16406800953130 14.007 > 15 62 N 0.84094828851681 0.87563065646648 0.16406800953130 14.007 > 15 63 N 0.34094828851681 0.12436934353352 0.33593199046870 14.007 > 16 64 N 0.84094828851681 0.12436934353352 0.33593199046870 14.007 > 16 *65 Li 0.26312104273451 0.46501567588250 0.08497833750621 6.941 > 17 66 Li 0.76312104273451 0.46501567588250 0.08497833750621 6.941 > 17 67 Li 0.26312104273451 0.53498432411750 0.41502166249379 6.941 > 18 68 Li 0.76312104273451 0.53498432411750 0.41502166249379 6.941 > 18 69 Li 0.48687895726549 0.46501567588250 0.91502166249379 6.941 > 19 70 Li 0.98687895726549 0.46501567588250 0.91502166249379 6.941 > 19 71 Li 0.48687895726549 0.53498432411750 0.58497833750621 6.941 > 20 72 Li 0.98687895726549 0.53498432411750 0.58497833750621 6.941 > 20 73 Li 0.23687895726549 0.53498432411750 0.91502166249379 6.941 > 21 74 Li 0.73687895726549 0.53498432411750 0.91502166249379 6.941 > 21 75 Li 0.23687895726549 0.46501567588250 0.58497833750621 6.941 > 22 76 Li 0.73687895726549 0.46501567588250 0.58497833750621 6.941 > 22 77 Li 0.01312104273451 0.53498432411750 0.08497833750621 6.941 > 23 78 Li 0.51312104273451 0.53498432411750 0.08497833750621 6.941 > 23 79 Li 0.01312104273451 0.46501567588250 0.41502166249379 6.941 > 24 80 Li 0.51312104273451 0.46501567588250 0.41502166249379 6.941 > 24 *81 Li 0.25000000000000 0.75000000000000 0.77483089464261 6.941 > 25 82 Li 0.75000000000000 0.75000000000000 0.77483089464261 6.941 > 25 83 Li 0.00000000000000 0.75000000000000 0.22516910535739 6.941 > 26 84 Li 0.50000000000000 0.75000000000000 0.22516910535739 6.941 > 26 85 Li 0.25000000000000 0.25000000000000 0.22516910535739 6.941 > 27 86 Li 0.75000000000000 0.25000000000000 0.22516910535739 6.941 > 27 87 Li 0.00000000000000 0.25000000000000 0.77483089464261 6.941 > 28 88 Li 0.50000000000000 0.25000000000000 0.77483089464261 6.941 > 28 *89 Li 0.45364567097036 0.50000000000000 0.75000000000000 6.941 > 29 90 Li 0.95364567097036 0.50000000000000 0.75000000000000 6.941 > 29 91 Li 0.29635432902964 0.50000000000000 0.25000000000000 6.941 > 30 92 Li 0.79635432902964 0.50000000000000 0.25000000000000 6.941 > 30 93 Li 0.04635432902964 0.50000000000000 0.25000000000000 6.941 > 31 94 Li 0.54635432902964 0.50000000000000 0.25000000000000 6.941 > 31 95 Li 0.20364567097036 0.50000000000000 0.75000000000000 6.941 > 32 96 Li 0.70364567097036 0.50000000000000 0.75000000000000 6.941 > 32 97 Li 0.01312104273451 0.96501567588250 0.58497833750621 6.941 > 17 98 Li 0.51312104273451 0.96501567588250 0.58497833750621 6.941 > 17 99 Li 0.01312104273451 0.03498432411750 0.91502166249379 6.941 > 18 100 Li 0.51312104273451 0.03498432411750 0.91502166249379 6.941 > 18 101 Li 0.23687895726549 0.96501567588250 0.41502166249379 6.941 > 19 102 Li 0.73687895726549 0.96501567588250 0.41502166249379 6.941 > 19 103 Li 0.23687895726549 0.03498432411750 0.08497833750621 6.941 > 20 104 Li 0.73687895726549 0.03498432411750 0.08497833750621 6.941 > 20 105 Li 0.48687895726549 0.03498432411750 0.41502166249379 6.941 > 21 106 Li 0.98687895726549 0.03498432411750 0.41502166249379 6.941 > 21 107 Li 0.48687895726549 0.96501567588250 0.08497833750621 6.941 > 22 108 Li 0.98687895726549 0.96501567588250 0.08497833750621 6.941 > 22 109 Li 0.26312104273451 0.03498432411750 0.58497833750621 6.941 > 23 110 Li 0.76312104273451 0.03498432411750 0.58497833750621 6.941 > 23 111 Li 0.26312104273451 0.96501567588250 0.91502166249379 6.941 > 24 112 Li 0.76312104273451 0.96501567588250 0.91502166249379 6.941 > 24 113 Li 0.00000000000000 0.25000000000000 0.27483089464261 6.941 > 25 114 Li 0.50000000000000 0.25000000000000 0.27483089464261 6.941 > 25 115 Li 0.25000000000000 0.25000000000000 0.72516910535739 6.941 > 26 116 Li 0.75000000000000 0.25000000000000 0.72516910535739 6.941 > 26 117 Li 0.00000000000000 0.75000000000000 0.72516910535739 6.941 > 27 118 Li 0.50000000000000 0.75000000000000 0.72516910535739 6.941 > 27 119 Li 0.25000000000000 0.75000000000000 0.27483089464261 6.941 > 28 120 Li 0.75000000000000 0.75000000000000 0.27483089464261 6.941 > 28 121 Li 0.20364567097036 0.00000000000000 0.25000000000000 6.941 > 29 122 Li 0.70364567097036 0.00000000000000 0.25000000000000 6.941 > 29 123 Li 0.04635432902964 0.00000000000000 0.75000000000000 6.941 > 30 124 Li 0.54635432902964 0.00000000000000 0.75000000000000 6.941 > 30 125 Li 0.29635432902964 0.00000000000000 0.75000000000000 6.941 > 31 126 Li 0.79635432902964 0.00000000000000 0.75000000000000 6.941 > 31 127 Li 0.45364567097036 0.00000000000000 0.25000000000000 6.941 > 32 128 Li 0.95364567097036 0.00000000000000 0.25000000000000 6.941 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.1351711 0.0000000 0.0000000 0.0000000 5.1782628 0.0000000 0.0000000 0.0000000 5.5911454 -------------------------- Born effective charges -------------------------- 1 Ta 3.0406861 0.7167028 0.0000000 -0.2800418 2.6332601 0.0000000 0.0000000 0.0000000 3.2398662 2 Ta 3.0406861 -0.7167028 0.0000000 0.2800418 2.6332601 0.0000000 0.0000000 0.0000000 3.2398662 3 Ta 3.0406861 0.7167028 0.0000000 -0.2800418 2.6332601 0.0000000 0.0000000 0.0000000 3.2398662 4 Ta 3.0406861 -0.7167028 0.0000000 0.2800418 2.6332601 0.0000000 0.0000000 0.0000000 3.2398662 5 N -2.8633765 0.0000000 1.4702336 0.0000000 -2.0219485 0.0000000 1.3648304 0.0000000 -2.2956665 6 N -2.8633765 0.0000000 -1.4702336 0.0000000 -2.0219485 0.0000000 -1.3648304 0.0000000 -2.2956665 7 N -2.8633765 0.0000000 1.4702336 0.0000000 -2.0219485 0.0000000 1.3648304 0.0000000 -2.2956665 8 N -2.8633765 0.0000000 -1.4702336 0.0000000 -2.0219485 0.0000000 -1.3648304 0.0000000 -2.2956665 9 N -1.9030733 0.2737885 -0.4011346 0.5770966 -2.4575421 0.7418183 -0.6185554 0.7162789 -2.4819244 10 N -1.9030733 -0.2737885 0.4011346 -0.5770966 -2.4575421 0.7418183 0.6185554 0.7162789 -2.4819244 11 N -1.9030733 -0.2737885 -0.4011346 -0.5770966 -2.4575421 -0.7418183 -0.6185554 -0.7162789 -2.4819244 12 N -1.9030733 0.2737885 0.4011346 0.5770966 -2.4575421 -0.7418183 0.6185554 -0.7162789 -2.4819244 13 N -1.9030733 0.2737885 -0.4011346 0.5770966 -2.4575421 0.7418183 -0.6185554 0.7162789 -2.4819244 14 N -1.9030733 -0.2737885 0.4011346 -0.5770966 -2.4575421 0.7418183 0.6185554 0.7162789 -2.4819244 15 N -1.9030733 -0.2737885 -0.4011346 -0.5770966 -2.4575421 -0.7418183 -0.6185554 -0.7162789 -2.4819244 16 N -1.9030733 0.2737885 0.4011346 0.5770966 -2.4575421 -0.7418183 0.6185554 -0.7162789 -2.4819244 17 Li 0.8919476 0.0780040 0.1696422 -0.0040510 1.2614600 0.0027051 -0.0140594 -0.0271207 0.6357450 18 Li 0.8919476 -0.0780040 -0.1696422 0.0040510 1.2614600 0.0027051 0.0140594 -0.0271207 0.6357450 19 Li 0.8919476 -0.0780040 0.1696422 0.0040510 1.2614600 -0.0027051 -0.0140594 0.0271207 0.6357450 20 Li 0.8919476 0.0780040 -0.1696422 -0.0040510 1.2614600 -0.0027051 0.0140594 0.0271207 0.6357450 21 Li 0.8919476 0.0780040 0.1696422 -0.0040510 1.2614600 0.0027051 -0.0140594 -0.0271207 0.6357450 22 Li 0.8919476 -0.0780040 -0.1696422 0.0040510 1.2614600 0.0027051 0.0140594 -0.0271207 0.6357450 23 Li 0.8919476 -0.0780040 0.1696422 0.0040510 1.2614600 -0.0027051 -0.0140594 0.0271207 0.6357450 24 Li 0.8919476 0.0780040 -0.1696422 -0.0040510 1.2614600 -0.0027051 0.0140594 0.0271207 0.6357450 25 Li 0.9623876 0.2866245 0.0000000 0.0029086 0.5259688 0.0000000 0.0000000 0.0000000 1.3821938 26 Li 0.9623876 -0.2866245 0.0000000 -0.0029086 0.5259688 0.0000000 0.0000000 0.0000000 1.3821938 27 Li 0.9623876 0.2866245 0.0000000 0.0029086 0.5259688 0.0000000 0.0000000 0.0000000 1.3821938 28 Li 0.9623876 -0.2866245 0.0000000 -0.0029086 0.5259688 0.0000000 0.0000000 0.0000000 1.3821938 29 Li 0.8825541 0.0000000 0.0000000 0.0000000 1.2548838 0.0104651 0.0000000 0.0173170 1.3659652 30 Li 0.8825541 0.0000000 0.0000000 0.0000000 1.2548838 -0.0104651 0.0000000 -0.0173170 1.3659652 31 Li 0.8825541 0.0000000 0.0000000 0.0000000 1.2548838 0.0104651 0.0000000 0.0173170 1.3659652 32 Li 0.8825541 0.0000000 0.0000000 0.0000000 1.2548838 -0.0104651 0.0000000 -0.0173170 1.3659652 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 22272/22272 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2462 Number of blocks in projector: 2462 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: 516 Use submatrix version of eigh solver. (1) Block: 516 / 516 (2) Block: 250 / 516 (2) 242 eigenvectors found. (2) Block: 516 / 516 (2) 258 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 500 Use submatrix version of eigh solver. (1) Block: 500 / 500 (2) Block: 250 / 500 (2) 244 eigenvectors found. (2) Block: 500 / 500 (2) 244 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 494 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 492 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 318 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 318 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 318 Use standard eigh solver. Tree of FC basis block matrices: - (2462, 2424), data: False |-- (318, 312), data: True |-- (318, 312), data: True |-- (318, 312), data: True |-- (492, 486), data: True |-- (500, 494), data: False |-- (500, 494), data: False |-- (500, 6), data: (500, 12) @ (12, 6) |-- (250, 244), data: True |-- (250, 244), data: True |-- (516, 508), data: False |-- (516, 508), data: False |-- (516, 8), data: (516, 16) @ (16, 8) |-- (266, 258), data: True |-- (250, 242), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.016 Solver_block: 100 / 480 - Time: 1.638 Solver_block: 200 / 480 - Time: 0.798 Solver_block: 300 / 480 - Time: 0.835 Solver_block: 400 / 480 - Time: 1.138 Solver_block: 480 / 480 - Time: 2.471 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.382 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 384/384 Permutation basis: 22272/22272 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2462 Number of blocks in projector: 2462 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: 516 Use submatrix version of eigh solver. (1) Block: 516 / 516 (2) Block: 250 / 516 (2) 242 eigenvectors found. (2) Block: 516 / 516 (2) 258 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 500 Use submatrix version of eigh solver. (1) Block: 500 / 500 (2) Block: 250 / 500 (2) 244 eigenvectors found. (2) Block: 500 / 500 (2) 244 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 494 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 492 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 318 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 318 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 318 Use standard eigh solver. Tree of FC basis block matrices: - (2462, 2424), data: False |-- (318, 312), data: True |-- (318, 312), data: True |-- (318, 312), data: True |-- (492, 486), data: True |-- (500, 494), data: False |-- (500, 494), data: False |-- (500, 6), data: (500, 12) @ (12, 6) |-- (250, 244), data: True |-- (250, 244), data: True |-- (516, 508), data: False |-- (516, 508), data: False |-- (516, 8), data: (516, 16) @ (16, 8) |-- (266, 258), data: True |-- (250, 242), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yz) -0.00000000 (yz) 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 08:37:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:37:52]------------------------- 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: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Ibca (73) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.438231915000000 4.823835289999999 7.016206164999998 b 2.438231915000000 -4.823835289999999 7.016206164999998 c 2.438231915000000 4.823835289999999 -7.016206164999998 Atomic positions (fractional): 1 Ta 0.33044433229074 0.08044433229074 0.25000000000000 180.948 2 Ta 0.16955566770926 0.41955566770926 0.75000000000000 180.948 3 Ta 0.66955566770926 0.91955566770926 0.75000000000000 180.948 4 Ta 0.83044433229074 0.58044433229074 0.25000000000000 180.948 5 N 0.36750772969529 0.25000000000000 0.61750772969529 14.007 6 N 0.13249227030471 0.75000000000000 0.88249227030471 14.007 7 N 0.63249227030471 0.75000000000000 0.38249227030471 14.007 8 N 0.86750772969529 0.25000000000000 0.11750772969529 14.007 9 N 0.28843735306482 0.34596458656492 0.30626592056714 14.007 10 N 0.21156264693518 0.51782856750232 0.05752723350010 14.007 11 N 0.96030133400222 0.15403541343508 0.44247276649990 14.007 12 N 0.53969866599778 0.98217143249768 0.19373407943286 14.007 13 N 0.71156264693518 0.65403541343508 0.69373407943286 14.007 14 N 0.78843735306482 0.48217143249768 0.94247276649990 14.007 15 N 0.03969866599778 0.84596458656492 0.55752723350010 14.007 16 N 0.46030133400222 0.01782856750232 0.80626592056714 14.007 17 Li 0.54999401338871 0.61122042297523 0.99125776135152 6.941 18 Li 0.95000598661129 0.94126374796281 0.06122640958652 6.941 19 Li 0.38003733837629 0.88877957702477 0.43877359041348 6.941 20 Li 0.11996266162371 0.55873625203719 0.50874223864848 6.941 21 Li 0.45000598661129 0.38877957702477 0.00874223864848 6.941 22 Li 0.04999401338871 0.05873625203719 0.93877359041348 6.941 23 Li 0.61996266162371 0.11122042297523 0.56122640958652 6.941 24 Li 0.88003733837629 0.44126374796281 0.49125776135152 6.941 25 Li 0.52483089464261 0.27483089464261 0.25000000000000 6.941 26 Li 0.97516910535739 0.22516910535739 0.75000000000000 6.941 27 Li 0.47516910535739 0.72516910535739 0.75000000000000 6.941 28 Li 0.02483089464261 0.77483089464261 0.25000000000000 6.941 29 Li 0.25000000000000 0.65729134194072 0.40729134194072 6.941 30 Li 0.75000000000000 0.84270865805928 0.09270865805928 6.941 31 Li 0.75000000000000 0.34270865805928 0.59270865805928 6.941 32 Li 0.25000000000000 0.15729134194072 0.90729134194072 6.941 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.752927659999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.647670579999998 0.000000000000000 c 0.000000000000000 0.000000000000000 14.032412329999996 Atomic positions (fractional): 1 Ta 0.00000000000000 0.25000000000000 0.08044433229074 180.948 > 1 2 Ta 0.50000000000000 0.25000000000000 0.08044433229074 180.948 > 1 3 Ta 0.25000000000000 0.25000000000000 0.91955566770926 180.948 > 3 4 Ta 0.75000000000000 0.25000000000000 0.91955566770926 180.948 > 3 5 Ta 0.00000000000000 0.75000000000000 0.91955566770926 180.948 > 5 6 Ta 0.50000000000000 0.75000000000000 0.91955566770926 180.948 > 5 7 Ta 0.25000000000000 0.75000000000000 0.08044433229074 180.948 > 7 8 Ta 0.75000000000000 0.75000000000000 0.08044433229074 180.948 > 7 9 Ta 0.25000000000000 0.75000000000000 0.58044433229074 180.948 > 1 10 Ta 0.75000000000000 0.75000000000000 0.58044433229074 180.948 > 1 11 Ta 0.00000000000000 0.75000000000000 0.41955566770926 180.948 > 3 12 Ta 0.50000000000000 0.75000000000000 0.41955566770926 180.948 > 3 13 Ta 0.25000000000000 0.25000000000000 0.41955566770926 180.948 > 5 14 Ta 0.75000000000000 0.25000000000000 0.41955566770926 180.948 > 5 15 Ta 0.00000000000000 0.25000000000000 0.58044433229074 180.948 > 7 16 Ta 0.50000000000000 0.25000000000000 0.58044433229074 180.948 > 7 17 N 0.12500000000000 0.36750772969529 0.00000000000000 14.007 > 17 18 N 0.62500000000000 0.36750772969529 0.00000000000000 14.007 > 17 19 N 0.37500000000000 0.13249227030471 0.00000000000000 14.007 > 19 20 N 0.87500000000000 0.13249227030471 0.00000000000000 14.007 > 19 21 N 0.37500000000000 0.63249227030471 0.00000000000000 14.007 > 21 22 N 0.87500000000000 0.63249227030471 0.00000000000000 14.007 > 21 23 N 0.12500000000000 0.86750772969529 0.00000000000000 14.007 > 23 24 N 0.62500000000000 0.86750772969529 0.00000000000000 14.007 > 23 25 N 0.34094828851681 0.62436934353352 0.66406800953130 14.007 > 25 26 N 0.84094828851681 0.62436934353352 0.66406800953130 14.007 > 25 27 N 0.34094828851681 0.37563065646648 0.83593199046870 14.007 > 27 28 N 0.84094828851681 0.37563065646648 0.83593199046870 14.007 > 27 29 N 0.40905171148319 0.62436934353352 0.33593199046870 14.007 > 29 30 N 0.90905171148319 0.62436934353352 0.33593199046870 14.007 > 29 31 N 0.40905171148319 0.37563065646648 0.16406800953130 14.007 > 31 32 N 0.90905171148319 0.37563065646648 0.16406800953130 14.007 > 31 33 N 0.15905171148319 0.37563065646648 0.33593199046870 14.007 > 33 34 N 0.65905171148319 0.37563065646648 0.33593199046870 14.007 > 33 35 N 0.15905171148319 0.62436934353352 0.16406800953130 14.007 > 35 36 N 0.65905171148319 0.62436934353352 0.16406800953130 14.007 > 35 37 N 0.09094828851681 0.37563065646648 0.66406800953130 14.007 > 37 38 N 0.59094828851681 0.37563065646648 0.66406800953130 14.007 > 37 39 N 0.09094828851681 0.62436934353352 0.83593199046870 14.007 > 39 40 N 0.59094828851681 0.62436934353352 0.83593199046870 14.007 > 39 41 N 0.37500000000000 0.86750772969529 0.50000000000000 14.007 > 17 42 N 0.87500000000000 0.86750772969529 0.50000000000000 14.007 > 17 43 N 0.12500000000000 0.63249227030471 0.50000000000000 14.007 > 19 44 N 0.62500000000000 0.63249227030471 0.50000000000000 14.007 > 19 45 N 0.12500000000000 0.13249227030471 0.50000000000000 14.007 > 21 46 N 0.62500000000000 0.13249227030471 0.50000000000000 14.007 > 21 47 N 0.37500000000000 0.36750772969529 0.50000000000000 14.007 > 23 48 N 0.87500000000000 0.36750772969529 0.50000000000000 14.007 > 23 49 N 0.09094828851681 0.12436934353352 0.16406800953130 14.007 > 25 50 N 0.59094828851681 0.12436934353352 0.16406800953130 14.007 > 25 51 N 0.09094828851681 0.87563065646648 0.33593199046870 14.007 > 27 52 N 0.59094828851681 0.87563065646648 0.33593199046870 14.007 > 27 53 N 0.15905171148319 0.12436934353352 0.83593199046870 14.007 > 29 54 N 0.65905171148319 0.12436934353352 0.83593199046870 14.007 > 29 55 N 0.15905171148319 0.87563065646648 0.66406800953130 14.007 > 31 56 N 0.65905171148319 0.87563065646648 0.66406800953130 14.007 > 31 57 N 0.40905171148319 0.87563065646648 0.83593199046870 14.007 > 33 58 N 0.90905171148319 0.87563065646648 0.83593199046870 14.007 > 33 59 N 0.40905171148319 0.12436934353352 0.66406800953130 14.007 > 35 60 N 0.90905171148319 0.12436934353352 0.66406800953130 14.007 > 35 61 N 0.34094828851681 0.87563065646648 0.16406800953130 14.007 > 37 62 N 0.84094828851681 0.87563065646648 0.16406800953130 14.007 > 37 63 N 0.34094828851681 0.12436934353352 0.33593199046870 14.007 > 39 64 N 0.84094828851681 0.12436934353352 0.33593199046870 14.007 > 39 65 Li 0.26312104273451 0.46501567588250 0.08497833750621 6.941 > 65 66 Li 0.76312104273451 0.46501567588250 0.08497833750621 6.941 > 65 67 Li 0.26312104273451 0.53498432411750 0.41502166249379 6.941 > 67 68 Li 0.76312104273451 0.53498432411750 0.41502166249379 6.941 > 67 69 Li 0.48687895726549 0.46501567588250 0.91502166249379 6.941 > 69 70 Li 0.98687895726549 0.46501567588250 0.91502166249379 6.941 > 69 71 Li 0.48687895726549 0.53498432411750 0.58497833750621 6.941 > 71 72 Li 0.98687895726549 0.53498432411750 0.58497833750621 6.941 > 71 73 Li 0.23687895726549 0.53498432411750 0.91502166249379 6.941 > 73 74 Li 0.73687895726549 0.53498432411750 0.91502166249379 6.941 > 73 75 Li 0.23687895726549 0.46501567588250 0.58497833750621 6.941 > 75 76 Li 0.73687895726549 0.46501567588250 0.58497833750621 6.941 > 75 77 Li 0.01312104273451 0.53498432411750 0.08497833750621 6.941 > 77 78 Li 0.51312104273451 0.53498432411750 0.08497833750621 6.941 > 77 79 Li 0.01312104273451 0.46501567588250 0.41502166249379 6.941 > 79 80 Li 0.51312104273451 0.46501567588250 0.41502166249379 6.941 > 79 81 Li 0.25000000000000 0.75000000000000 0.77483089464261 6.941 > 81 82 Li 0.75000000000000 0.75000000000000 0.77483089464261 6.941 > 81 83 Li 0.00000000000000 0.75000000000000 0.22516910535739 6.941 > 83 84 Li 0.50000000000000 0.75000000000000 0.22516910535739 6.941 > 83 85 Li 0.25000000000000 0.25000000000000 0.22516910535739 6.941 > 85 86 Li 0.75000000000000 0.25000000000000 0.22516910535739 6.941 > 85 87 Li 0.00000000000000 0.25000000000000 0.77483089464261 6.941 > 87 88 Li 0.50000000000000 0.25000000000000 0.77483089464261 6.941 > 87 89 Li 0.45364567097036 0.50000000000000 0.75000000000000 6.941 > 89 90 Li 0.95364567097036 0.50000000000000 0.75000000000000 6.941 > 89 91 Li 0.29635432902964 0.50000000000000 0.25000000000000 6.941 > 91 92 Li 0.79635432902964 0.50000000000000 0.25000000000000 6.941 > 91 93 Li 0.04635432902964 0.50000000000000 0.25000000000000 6.941 > 93 94 Li 0.54635432902964 0.50000000000000 0.25000000000000 6.941 > 93 95 Li 0.20364567097036 0.50000000000000 0.75000000000000 6.941 > 95 96 Li 0.70364567097036 0.50000000000000 0.75000000000000 6.941 > 95 97 Li 0.01312104273451 0.96501567588250 0.58497833750621 6.941 > 65 98 Li 0.51312104273451 0.96501567588250 0.58497833750621 6.941 > 65 99 Li 0.01312104273451 0.03498432411750 0.91502166249379 6.941 > 67 100 Li 0.51312104273451 0.03498432411750 0.91502166249379 6.941 > 67 101 Li 0.23687895726549 0.96501567588250 0.41502166249379 6.941 > 69 102 Li 0.73687895726549 0.96501567588250 0.41502166249379 6.941 > 69 103 Li 0.23687895726549 0.03498432411750 0.08497833750621 6.941 > 71 104 Li 0.73687895726549 0.03498432411750 0.08497833750621 6.941 > 71 105 Li 0.48687895726549 0.03498432411750 0.41502166249379 6.941 > 73 106 Li 0.98687895726549 0.03498432411750 0.41502166249379 6.941 > 73 107 Li 0.48687895726549 0.96501567588250 0.08497833750621 6.941 > 75 108 Li 0.98687895726549 0.96501567588250 0.08497833750621 6.941 > 75 109 Li 0.26312104273451 0.03498432411750 0.58497833750621 6.941 > 77 110 Li 0.76312104273451 0.03498432411750 0.58497833750621 6.941 > 77 111 Li 0.26312104273451 0.96501567588250 0.91502166249379 6.941 > 79 112 Li 0.76312104273451 0.96501567588250 0.91502166249379 6.941 > 79 113 Li 0.00000000000000 0.25000000000000 0.27483089464261 6.941 > 81 114 Li 0.50000000000000 0.25000000000000 0.27483089464261 6.941 > 81 115 Li 0.25000000000000 0.25000000000000 0.72516910535739 6.941 > 83 116 Li 0.75000000000000 0.25000000000000 0.72516910535739 6.941 > 83 117 Li 0.00000000000000 0.75000000000000 0.72516910535739 6.941 > 85 118 Li 0.50000000000000 0.75000000000000 0.72516910535739 6.941 > 85 119 Li 0.25000000000000 0.75000000000000 0.27483089464261 6.941 > 87 120 Li 0.75000000000000 0.75000000000000 0.27483089464261 6.941 > 87 121 Li 0.20364567097036 0.00000000000000 0.25000000000000 6.941 > 89 122 Li 0.70364567097036 0.00000000000000 0.25000000000000 6.941 > 89 123 Li 0.04635432902964 0.00000000000000 0.75000000000000 6.941 > 91 124 Li 0.54635432902964 0.00000000000000 0.75000000000000 6.941 > 91 125 Li 0.29635432902964 0.00000000000000 0.75000000000000 6.941 > 93 126 Li 0.79635432902964 0.00000000000000 0.75000000000000 6.941 > 93 127 Li 0.45364567097036 0.00000000000000 0.25000000000000 6.941 > 95 128 Li 0.95364567097036 0.00000000000000 0.25000000000000 6.941 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.1351711 0.0000000 0.0000000 0.0000000 5.1782628 0.0000000 0.0000000 0.0000000 5.5911454 -------------------------- Born effective charges -------------------------- 1 Ta 3.0406861 0.7167028 0.0000000 -0.2800418 2.6332601 0.0000000 0.0000000 0.0000000 3.2398662 2 Ta 3.0406861 -0.7167028 0.0000000 0.2800418 2.6332601 0.0000000 0.0000000 0.0000000 3.2398662 3 Ta 3.0406861 0.7167028 0.0000000 -0.2800418 2.6332601 0.0000000 0.0000000 0.0000000 3.2398662 4 Ta 3.0406861 -0.7167028 0.0000000 0.2800418 2.6332601 0.0000000 0.0000000 0.0000000 3.2398662 5 N -2.8633765 0.0000000 1.4702336 0.0000000 -2.0219485 0.0000000 1.3648304 0.0000000 -2.2956665 6 N -2.8633765 0.0000000 -1.4702336 0.0000000 -2.0219485 0.0000000 -1.3648304 0.0000000 -2.2956665 7 N -2.8633765 0.0000000 1.4702336 0.0000000 -2.0219485 0.0000000 1.3648304 0.0000000 -2.2956665 8 N -2.8633765 0.0000000 -1.4702336 0.0000000 -2.0219485 0.0000000 -1.3648304 0.0000000 -2.2956665 9 N -1.9030733 0.2737885 -0.4011346 0.5770966 -2.4575421 0.7418183 -0.6185554 0.7162789 -2.4819244 10 N -1.9030733 -0.2737885 0.4011346 -0.5770966 -2.4575421 0.7418183 0.6185554 0.7162789 -2.4819244 11 N -1.9030733 -0.2737885 -0.4011346 -0.5770966 -2.4575421 -0.7418183 -0.6185554 -0.7162789 -2.4819244 12 N -1.9030733 0.2737885 0.4011346 0.5770966 -2.4575421 -0.7418183 0.6185554 -0.7162789 -2.4819244 13 N -1.9030733 0.2737885 -0.4011346 0.5770966 -2.4575421 0.7418183 -0.6185554 0.7162789 -2.4819244 14 N -1.9030733 -0.2737885 0.4011346 -0.5770966 -2.4575421 0.7418183 0.6185554 0.7162789 -2.4819244 15 N -1.9030733 -0.2737885 -0.4011346 -0.5770966 -2.4575421 -0.7418183 -0.6185554 -0.7162789 -2.4819244 16 N -1.9030733 0.2737885 0.4011346 0.5770966 -2.4575421 -0.7418183 0.6185554 -0.7162789 -2.4819244 17 Li 0.8919476 0.0780040 0.1696422 -0.0040510 1.2614600 0.0027051 -0.0140594 -0.0271207 0.6357450 18 Li 0.8919476 -0.0780040 -0.1696422 0.0040510 1.2614600 0.0027051 0.0140594 -0.0271207 0.6357450 19 Li 0.8919476 -0.0780040 0.1696422 0.0040510 1.2614600 -0.0027051 -0.0140594 0.0271207 0.6357450 20 Li 0.8919476 0.0780040 -0.1696422 -0.0040510 1.2614600 -0.0027051 0.0140594 0.0271207 0.6357450 21 Li 0.8919476 0.0780040 0.1696422 -0.0040510 1.2614600 0.0027051 -0.0140594 -0.0271207 0.6357450 22 Li 0.8919476 -0.0780040 -0.1696422 0.0040510 1.2614600 0.0027051 0.0140594 -0.0271207 0.6357450 23 Li 0.8919476 -0.0780040 0.1696422 0.0040510 1.2614600 -0.0027051 -0.0140594 0.0271207 0.6357450 24 Li 0.8919476 0.0780040 -0.1696422 -0.0040510 1.2614600 -0.0027051 0.0140594 0.0271207 0.6357450 25 Li 0.9623876 0.2866245 0.0000000 0.0029086 0.5259688 0.0000000 0.0000000 0.0000000 1.3821938 26 Li 0.9623876 -0.2866245 0.0000000 -0.0029086 0.5259688 0.0000000 0.0000000 0.0000000 1.3821938 27 Li 0.9623876 0.2866245 0.0000000 0.0029086 0.5259688 0.0000000 0.0000000 0.0000000 1.3821938 28 Li 0.9623876 -0.2866245 0.0000000 -0.0029086 0.5259688 0.0000000 0.0000000 0.0000000 1.3821938 29 Li 0.8825541 0.0000000 0.0000000 0.0000000 1.2548838 0.0104651 0.0000000 0.0173170 1.3659652 30 Li 0.8825541 0.0000000 0.0000000 0.0000000 1.2548838 -0.0104651 0.0000000 -0.0173170 1.3659652 31 Li 0.8825541 0.0000000 0.0000000 0.0000000 1.2548838 0.0104651 0.0000000 0.0173170 1.3659652 32 Li 0.8825541 0.0000000 0.0000000 0.0000000 1.2548838 -0.0104651 0.0000000 -0.0173170 1.3659652 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 89, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xzx) -0.00000000 (xzx) -0.00000000 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xy) -0.00000000 (xy) 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 08:38:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:38:27]------------------------- 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: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Ibca (73) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.438231915000000 4.823835289999999 7.016206164999998 b 2.438231915000000 -4.823835289999999 7.016206164999998 c 2.438231915000000 4.823835289999999 -7.016206164999998 Atomic positions (fractional): 1 Ta 0.33044433229074 0.08044433229074 0.25000000000000 180.948 2 Ta 0.16955566770926 0.41955566770926 0.75000000000000 180.948 3 Ta 0.66955566770926 0.91955566770926 0.75000000000000 180.948 4 Ta 0.83044433229074 0.58044433229074 0.25000000000000 180.948 5 N 0.36750772969529 0.25000000000000 0.61750772969529 14.007 6 N 0.13249227030471 0.75000000000000 0.88249227030471 14.007 7 N 0.63249227030471 0.75000000000000 0.38249227030471 14.007 8 N 0.86750772969529 0.25000000000000 0.11750772969529 14.007 9 N 0.28843735306482 0.34596458656492 0.30626592056714 14.007 10 N 0.21156264693518 0.51782856750232 0.05752723350010 14.007 11 N 0.96030133400222 0.15403541343508 0.44247276649990 14.007 12 N 0.53969866599778 0.98217143249768 0.19373407943286 14.007 13 N 0.71156264693518 0.65403541343508 0.69373407943286 14.007 14 N 0.78843735306482 0.48217143249768 0.94247276649990 14.007 15 N 0.03969866599778 0.84596458656492 0.55752723350010 14.007 16 N 0.46030133400222 0.01782856750232 0.80626592056714 14.007 17 Li 0.54999401338871 0.61122042297523 0.99125776135152 6.941 18 Li 0.95000598661129 0.94126374796281 0.06122640958652 6.941 19 Li 0.38003733837629 0.88877957702477 0.43877359041348 6.941 20 Li 0.11996266162371 0.55873625203719 0.50874223864848 6.941 21 Li 0.45000598661129 0.38877957702477 0.00874223864848 6.941 22 Li 0.04999401338871 0.05873625203719 0.93877359041348 6.941 23 Li 0.61996266162371 0.11122042297523 0.56122640958652 6.941 24 Li 0.88003733837629 0.44126374796281 0.49125776135152 6.941 25 Li 0.52483089464261 0.27483089464261 0.25000000000000 6.941 26 Li 0.97516910535739 0.22516910535739 0.75000000000000 6.941 27 Li 0.47516910535739 0.72516910535739 0.75000000000000 6.941 28 Li 0.02483089464261 0.77483089464261 0.25000000000000 6.941 29 Li 0.25000000000000 0.65729134194072 0.40729134194072 6.941 30 Li 0.75000000000000 0.84270865805928 0.09270865805928 6.941 31 Li 0.75000000000000 0.34270865805928 0.59270865805928 6.941 32 Li 0.25000000000000 0.15729134194072 0.90729134194072 6.941 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.752927659999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.647670579999998 0.000000000000000 c 0.000000000000000 0.000000000000000 14.032412329999996 Atomic positions (fractional): 1 Ta 0.00000000000000 0.25000000000000 0.08044433229074 180.948 > 1 2 Ta 0.50000000000000 0.25000000000000 0.08044433229074 180.948 > 1 3 Ta 0.25000000000000 0.25000000000000 0.91955566770926 180.948 > 3 4 Ta 0.75000000000000 0.25000000000000 0.91955566770926 180.948 > 3 5 Ta 0.00000000000000 0.75000000000000 0.91955566770926 180.948 > 5 6 Ta 0.50000000000000 0.75000000000000 0.91955566770926 180.948 > 5 7 Ta 0.25000000000000 0.75000000000000 0.08044433229074 180.948 > 7 8 Ta 0.75000000000000 0.75000000000000 0.08044433229074 180.948 > 7 9 Ta 0.25000000000000 0.75000000000000 0.58044433229074 180.948 > 1 10 Ta 0.75000000000000 0.75000000000000 0.58044433229074 180.948 > 1 11 Ta 0.00000000000000 0.75000000000000 0.41955566770926 180.948 > 3 12 Ta 0.50000000000000 0.75000000000000 0.41955566770926 180.948 > 3 13 Ta 0.25000000000000 0.25000000000000 0.41955566770926 180.948 > 5 14 Ta 0.75000000000000 0.25000000000000 0.41955566770926 180.948 > 5 15 Ta 0.00000000000000 0.25000000000000 0.58044433229074 180.948 > 7 16 Ta 0.50000000000000 0.25000000000000 0.58044433229074 180.948 > 7 17 N 0.12500000000000 0.36750772969529 0.00000000000000 14.007 > 17 18 N 0.62500000000000 0.36750772969529 0.00000000000000 14.007 > 17 19 N 0.37500000000000 0.13249227030471 0.00000000000000 14.007 > 19 20 N 0.87500000000000 0.13249227030471 0.00000000000000 14.007 > 19 21 N 0.37500000000000 0.63249227030471 0.00000000000000 14.007 > 21 22 N 0.87500000000000 0.63249227030471 0.00000000000000 14.007 > 21 23 N 0.12500000000000 0.86750772969529 0.00000000000000 14.007 > 23 24 N 0.62500000000000 0.86750772969529 0.00000000000000 14.007 > 23 25 N 0.34094828851681 0.62436934353352 0.66406800953130 14.007 > 25 26 N 0.84094828851681 0.62436934353352 0.66406800953130 14.007 > 25 27 N 0.34094828851681 0.37563065646648 0.83593199046870 14.007 > 27 28 N 0.84094828851681 0.37563065646648 0.83593199046870 14.007 > 27 29 N 0.40905171148319 0.62436934353352 0.33593199046870 14.007 > 29 30 N 0.90905171148319 0.62436934353352 0.33593199046870 14.007 > 29 31 N 0.40905171148319 0.37563065646648 0.16406800953130 14.007 > 31 32 N 0.90905171148319 0.37563065646648 0.16406800953130 14.007 > 31 33 N 0.15905171148319 0.37563065646648 0.33593199046870 14.007 > 33 34 N 0.65905171148319 0.37563065646648 0.33593199046870 14.007 > 33 35 N 0.15905171148319 0.62436934353352 0.16406800953130 14.007 > 35 36 N 0.65905171148319 0.62436934353352 0.16406800953130 14.007 > 35 37 N 0.09094828851681 0.37563065646648 0.66406800953130 14.007 > 37 38 N 0.59094828851681 0.37563065646648 0.66406800953130 14.007 > 37 39 N 0.09094828851681 0.62436934353352 0.83593199046870 14.007 > 39 40 N 0.59094828851681 0.62436934353352 0.83593199046870 14.007 > 39 41 N 0.37500000000000 0.86750772969529 0.50000000000000 14.007 > 17 42 N 0.87500000000000 0.86750772969529 0.50000000000000 14.007 > 17 43 N 0.12500000000000 0.63249227030471 0.50000000000000 14.007 > 19 44 N 0.62500000000000 0.63249227030471 0.50000000000000 14.007 > 19 45 N 0.12500000000000 0.13249227030471 0.50000000000000 14.007 > 21 46 N 0.62500000000000 0.13249227030471 0.50000000000000 14.007 > 21 47 N 0.37500000000000 0.36750772969529 0.50000000000000 14.007 > 23 48 N 0.87500000000000 0.36750772969529 0.50000000000000 14.007 > 23 49 N 0.09094828851681 0.12436934353352 0.16406800953130 14.007 > 25 50 N 0.59094828851681 0.12436934353352 0.16406800953130 14.007 > 25 51 N 0.09094828851681 0.87563065646648 0.33593199046870 14.007 > 27 52 N 0.59094828851681 0.87563065646648 0.33593199046870 14.007 > 27 53 N 0.15905171148319 0.12436934353352 0.83593199046870 14.007 > 29 54 N 0.65905171148319 0.12436934353352 0.83593199046870 14.007 > 29 55 N 0.15905171148319 0.87563065646648 0.66406800953130 14.007 > 31 56 N 0.65905171148319 0.87563065646648 0.66406800953130 14.007 > 31 57 N 0.40905171148319 0.87563065646648 0.83593199046870 14.007 > 33 58 N 0.90905171148319 0.87563065646648 0.83593199046870 14.007 > 33 59 N 0.40905171148319 0.12436934353352 0.66406800953130 14.007 > 35 60 N 0.90905171148319 0.12436934353352 0.66406800953130 14.007 > 35 61 N 0.34094828851681 0.87563065646648 0.16406800953130 14.007 > 37 62 N 0.84094828851681 0.87563065646648 0.16406800953130 14.007 > 37 63 N 0.34094828851681 0.12436934353352 0.33593199046870 14.007 > 39 64 N 0.84094828851681 0.12436934353352 0.33593199046870 14.007 > 39 65 Li 0.26312104273451 0.46501567588250 0.08497833750621 6.941 > 65 66 Li 0.76312104273451 0.46501567588250 0.08497833750621 6.941 > 65 67 Li 0.26312104273451 0.53498432411750 0.41502166249379 6.941 > 67 68 Li 0.76312104273451 0.53498432411750 0.41502166249379 6.941 > 67 69 Li 0.48687895726549 0.46501567588250 0.91502166249379 6.941 > 69 70 Li 0.98687895726549 0.46501567588250 0.91502166249379 6.941 > 69 71 Li 0.48687895726549 0.53498432411750 0.58497833750621 6.941 > 71 72 Li 0.98687895726549 0.53498432411750 0.58497833750621 6.941 > 71 73 Li 0.23687895726549 0.53498432411750 0.91502166249379 6.941 > 73 74 Li 0.73687895726549 0.53498432411750 0.91502166249379 6.941 > 73 75 Li 0.23687895726549 0.46501567588250 0.58497833750621 6.941 > 75 76 Li 0.73687895726549 0.46501567588250 0.58497833750621 6.941 > 75 77 Li 0.01312104273451 0.53498432411750 0.08497833750621 6.941 > 77 78 Li 0.51312104273451 0.53498432411750 0.08497833750621 6.941 > 77 79 Li 0.01312104273451 0.46501567588250 0.41502166249379 6.941 > 79 80 Li 0.51312104273451 0.46501567588250 0.41502166249379 6.941 > 79 81 Li 0.25000000000000 0.75000000000000 0.77483089464261 6.941 > 81 82 Li 0.75000000000000 0.75000000000000 0.77483089464261 6.941 > 81 83 Li 0.00000000000000 0.75000000000000 0.22516910535739 6.941 > 83 84 Li 0.50000000000000 0.75000000000000 0.22516910535739 6.941 > 83 85 Li 0.25000000000000 0.25000000000000 0.22516910535739 6.941 > 85 86 Li 0.75000000000000 0.25000000000000 0.22516910535739 6.941 > 85 87 Li 0.00000000000000 0.25000000000000 0.77483089464261 6.941 > 87 88 Li 0.50000000000000 0.25000000000000 0.77483089464261 6.941 > 87 89 Li 0.45364567097036 0.50000000000000 0.75000000000000 6.941 > 89 90 Li 0.95364567097036 0.50000000000000 0.75000000000000 6.941 > 89 91 Li 0.29635432902964 0.50000000000000 0.25000000000000 6.941 > 91 92 Li 0.79635432902964 0.50000000000000 0.25000000000000 6.941 > 91 93 Li 0.04635432902964 0.50000000000000 0.25000000000000 6.941 > 93 94 Li 0.54635432902964 0.50000000000000 0.25000000000000 6.941 > 93 95 Li 0.20364567097036 0.50000000000000 0.75000000000000 6.941 > 95 96 Li 0.70364567097036 0.50000000000000 0.75000000000000 6.941 > 95 97 Li 0.01312104273451 0.96501567588250 0.58497833750621 6.941 > 65 98 Li 0.51312104273451 0.96501567588250 0.58497833750621 6.941 > 65 99 Li 0.01312104273451 0.03498432411750 0.91502166249379 6.941 > 67 100 Li 0.51312104273451 0.03498432411750 0.91502166249379 6.941 > 67 101 Li 0.23687895726549 0.96501567588250 0.41502166249379 6.941 > 69 102 Li 0.73687895726549 0.96501567588250 0.41502166249379 6.941 > 69 103 Li 0.23687895726549 0.03498432411750 0.08497833750621 6.941 > 71 104 Li 0.73687895726549 0.03498432411750 0.08497833750621 6.941 > 71 105 Li 0.48687895726549 0.03498432411750 0.41502166249379 6.941 > 73 106 Li 0.98687895726549 0.03498432411750 0.41502166249379 6.941 > 73 107 Li 0.48687895726549 0.96501567588250 0.08497833750621 6.941 > 75 108 Li 0.98687895726549 0.96501567588250 0.08497833750621 6.941 > 75 109 Li 0.26312104273451 0.03498432411750 0.58497833750621 6.941 > 77 110 Li 0.76312104273451 0.03498432411750 0.58497833750621 6.941 > 77 111 Li 0.26312104273451 0.96501567588250 0.91502166249379 6.941 > 79 112 Li 0.76312104273451 0.96501567588250 0.91502166249379 6.941 > 79 113 Li 0.00000000000000 0.25000000000000 0.27483089464261 6.941 > 81 114 Li 0.50000000000000 0.25000000000000 0.27483089464261 6.941 > 81 115 Li 0.25000000000000 0.25000000000000 0.72516910535739 6.941 > 83 116 Li 0.75000000000000 0.25000000000000 0.72516910535739 6.941 > 83 117 Li 0.00000000000000 0.75000000000000 0.72516910535739 6.941 > 85 118 Li 0.50000000000000 0.75000000000000 0.72516910535739 6.941 > 85 119 Li 0.25000000000000 0.75000000000000 0.27483089464261 6.941 > 87 120 Li 0.75000000000000 0.75000000000000 0.27483089464261 6.941 > 87 121 Li 0.20364567097036 0.00000000000000 0.25000000000000 6.941 > 89 122 Li 0.70364567097036 0.00000000000000 0.25000000000000 6.941 > 89 123 Li 0.04635432902964 0.00000000000000 0.75000000000000 6.941 > 91 124 Li 0.54635432902964 0.00000000000000 0.75000000000000 6.941 > 91 125 Li 0.29635432902964 0.00000000000000 0.75000000000000 6.941 > 93 126 Li 0.79635432902964 0.00000000000000 0.75000000000000 6.941 > 93 127 Li 0.45364567097036 0.00000000000000 0.25000000000000 6.941 > 95 128 Li 0.95364567097036 0.00000000000000 0.25000000000000 6.941 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.1351711 0.0000000 0.0000000 0.0000000 5.1782628 0.0000000 0.0000000 0.0000000 5.5911454 -------------------------- Born effective charges -------------------------- 1 Ta 3.0406861 0.7167028 0.0000000 -0.2800418 2.6332601 0.0000000 0.0000000 0.0000000 3.2398662 2 Ta 3.0406861 -0.7167028 0.0000000 0.2800418 2.6332601 0.0000000 0.0000000 0.0000000 3.2398662 3 Ta 3.0406861 0.7167028 0.0000000 -0.2800418 2.6332601 0.0000000 0.0000000 0.0000000 3.2398662 4 Ta 3.0406861 -0.7167028 0.0000000 0.2800418 2.6332601 0.0000000 0.0000000 0.0000000 3.2398662 5 N -2.8633765 0.0000000 1.4702336 0.0000000 -2.0219485 0.0000000 1.3648304 0.0000000 -2.2956665 6 N -2.8633765 0.0000000 -1.4702336 0.0000000 -2.0219485 0.0000000 -1.3648304 0.0000000 -2.2956665 7 N -2.8633765 0.0000000 1.4702336 0.0000000 -2.0219485 0.0000000 1.3648304 0.0000000 -2.2956665 8 N -2.8633765 0.0000000 -1.4702336 0.0000000 -2.0219485 0.0000000 -1.3648304 0.0000000 -2.2956665 9 N -1.9030733 0.2737885 -0.4011346 0.5770966 -2.4575421 0.7418183 -0.6185554 0.7162789 -2.4819244 10 N -1.9030733 -0.2737885 0.4011346 -0.5770966 -2.4575421 0.7418183 0.6185554 0.7162789 -2.4819244 11 N -1.9030733 -0.2737885 -0.4011346 -0.5770966 -2.4575421 -0.7418183 -0.6185554 -0.7162789 -2.4819244 12 N -1.9030733 0.2737885 0.4011346 0.5770966 -2.4575421 -0.7418183 0.6185554 -0.7162789 -2.4819244 13 N -1.9030733 0.2737885 -0.4011346 0.5770966 -2.4575421 0.7418183 -0.6185554 0.7162789 -2.4819244 14 N -1.9030733 -0.2737885 0.4011346 -0.5770966 -2.4575421 0.7418183 0.6185554 0.7162789 -2.4819244 15 N -1.9030733 -0.2737885 -0.4011346 -0.5770966 -2.4575421 -0.7418183 -0.6185554 -0.7162789 -2.4819244 16 N -1.9030733 0.2737885 0.4011346 0.5770966 -2.4575421 -0.7418183 0.6185554 -0.7162789 -2.4819244 17 Li 0.8919476 0.0780040 0.1696422 -0.0040510 1.2614600 0.0027051 -0.0140594 -0.0271207 0.6357450 18 Li 0.8919476 -0.0780040 -0.1696422 0.0040510 1.2614600 0.0027051 0.0140594 -0.0271207 0.6357450 19 Li 0.8919476 -0.0780040 0.1696422 0.0040510 1.2614600 -0.0027051 -0.0140594 0.0271207 0.6357450 20 Li 0.8919476 0.0780040 -0.1696422 -0.0040510 1.2614600 -0.0027051 0.0140594 0.0271207 0.6357450 21 Li 0.8919476 0.0780040 0.1696422 -0.0040510 1.2614600 0.0027051 -0.0140594 -0.0271207 0.6357450 22 Li 0.8919476 -0.0780040 -0.1696422 0.0040510 1.2614600 0.0027051 0.0140594 -0.0271207 0.6357450 23 Li 0.8919476 -0.0780040 0.1696422 0.0040510 1.2614600 -0.0027051 -0.0140594 0.0271207 0.6357450 24 Li 0.8919476 0.0780040 -0.1696422 -0.0040510 1.2614600 -0.0027051 0.0140594 0.0271207 0.6357450 25 Li 0.9623876 0.2866245 0.0000000 0.0029086 0.5259688 0.0000000 0.0000000 0.0000000 1.3821938 26 Li 0.9623876 -0.2866245 0.0000000 -0.0029086 0.5259688 0.0000000 0.0000000 0.0000000 1.3821938 27 Li 0.9623876 0.2866245 0.0000000 0.0029086 0.5259688 0.0000000 0.0000000 0.0000000 1.3821938 28 Li 0.9623876 -0.2866245 0.0000000 -0.0029086 0.5259688 0.0000000 0.0000000 0.0000000 1.3821938 29 Li 0.8825541 0.0000000 0.0000000 0.0000000 1.2548838 0.0104651 0.0000000 0.0173170 1.3659652 30 Li 0.8825541 0.0000000 0.0000000 0.0000000 1.2548838 -0.0104651 0.0000000 -0.0173170 1.3659652 31 Li 0.8825541 0.0000000 0.0000000 0.0000000 1.2548838 0.0104651 0.0000000 0.0173170 1.3659652 32 Li 0.8825541 0.0000000 0.0000000 0.0000000 1.2548838 -0.0104651 0.0000000 -0.0173170 1.3659652 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xzx) -0.00000000 (xzx) -0.00000000 (xxz) Max drift of fc2: -0.00000000 (yz) -0.00000000 (yz) --------------------------- 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 ... Generalized regular grid: [ 1 10 40 ] Grid generation matrix: [ 0 10 10 ] [ 5 0 5 ] [ 4 4 0 ] 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: 0.60, Number of G-points: 303, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/84) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.955 ( 0.000 0.000 0.000) 0.000 3.357 ( 0.000 0.000 0.000) 0.000 3.554 ( 0.000 0.000 0.000) 0.000 3.975 ( 0.000 0.000 0.000) 0.000 4.205 ( 0.000 0.000 0.000) 0.000 4.217 ( 0.000 0.000 0.000) 0.000 4.328 ( 0.000 0.000 0.000) 0.000 4.460 ( 0.000 0.000 0.000) 0.000 4.933 ( 0.000 0.000 0.000) 0.000 5.913 ( 0.000 0.000 0.000) 0.000 6.433 ( 0.000 0.000 0.000) 0.000 6.830 ( 0.000 0.000 0.000) 0.000 7.280 ( 0.000 0.000 0.000) 0.000 7.326 ( 0.000 0.000 0.000) 0.000 7.333 ( 0.000 0.000 0.000) 0.000 7.607 ( 0.000 0.000 0.000) 0.000 7.644 ( 0.000 0.000 0.000) 0.000 7.762 ( 0.000 0.000 0.000) 0.000 7.809 ( 0.000 0.000 0.000) 0.000 7.962 ( 0.000 0.000 0.000) 0.000 8.232 ( 0.000 0.000 0.000) 0.000 8.955 ( 0.000 0.000 0.000) 0.000 9.091 ( 0.000 0.000 0.000) 0.000 9.125 ( 0.000 0.000 0.000) 0.000 9.530 ( 0.000 0.000 0.000) 0.000 9.654 ( 0.000 0.000 0.000) 0.000 9.914 ( 0.000 0.000 0.000) 0.000 10.014 ( 0.000 0.000 0.000) 0.000 10.465 ( 0.000 0.000 0.000) 0.000 10.474 ( 0.000 0.000 0.000) 0.000 10.479 ( 0.000 0.000 0.000) 0.000 10.679 ( 0.000 0.000 0.000) 0.000 10.835 ( 0.000 0.000 0.000) 0.000 10.847 ( 0.000 0.000 0.000) 0.000 10.871 ( 0.000 0.000 0.000) 0.000 10.911 ( 0.000 0.000 0.000) 0.000 10.973 ( 0.000 0.000 0.000) 0.000 10.986 ( 0.000 0.000 0.000) 0.000 10.998 ( 0.000 0.000 0.000) 0.000 11.308 ( 0.000 0.000 0.000) 0.000 11.607 ( 0.000 0.000 0.000) 0.000 11.626 ( 0.000 0.000 0.000) 0.000 11.883 ( 0.000 0.000 0.000) 0.000 11.928 ( 0.000 0.000 0.000) 0.000 12.121 ( 0.000 0.000 0.000) 0.000 12.243 ( 0.000 0.000 0.000) 0.000 12.629 ( 0.000 0.000 0.000) 0.000 12.888 ( 0.000 0.000 0.000) 0.000 13.022 ( 0.000 0.000 0.000) 0.000 13.041 ( 0.000 0.000 0.000) 0.000 13.110 ( 0.000 0.000 0.000) 0.000 13.159 ( 0.000 0.000 0.000) 0.000 13.271 ( 0.000 0.000 0.000) 0.000 13.483 ( 0.000 0.000 0.000) 0.000 13.594 ( 0.000 0.000 0.000) 0.000 13.671 ( 0.000 0.000 0.000) 0.000 13.780 ( 0.000 0.000 0.000) 0.000 13.869 ( 0.000 0.000 0.000) 0.000 14.421 ( 0.000 0.000 0.000) 0.000 14.473 ( 0.000 0.000 0.000) 0.000 14.581 ( 0.000 0.000 0.000) 0.000 14.948 ( 0.000 0.000 0.000) 0.000 15.100 ( 0.000 0.000 0.000) 0.000 15.207 ( 0.000 0.000 0.000) 0.000 15.468 ( 0.000 0.000 0.000) 0.000 15.619 ( 0.000 0.000 0.000) 0.000 15.862 ( 0.000 0.000 0.000) 0.000 15.909 ( 0.000 0.000 0.000) 0.000 16.130 ( 0.000 0.000 0.000) 0.000 16.395 ( 0.000 0.000 0.000) 0.000 16.690 ( 0.000 0.000 0.000) 0.000 16.695 ( 0.000 0.000 0.000) 0.000 16.769 ( 0.000 0.000 0.000) 0.000 17.592 ( 0.000 0.000 0.000) 0.000 17.627 ( 0.000 0.000 0.000) 0.000 17.661 ( 0.000 0.000 0.000) 0.000 17.946 ( 0.000 0.000 0.000) 0.000 17.968 ( 0.000 0.000 0.000) 0.000 18.126 ( 0.000 0.000 0.000) 0.000 18.529 ( 0.000 0.000 0.000) 0.000 18.532 ( 0.000 0.000 0.000) 0.000 18.649 ( 0.000 0.000 0.000) 0.000 18.806 ( 0.000 0.000 0.000) 0.000 20.836 ( 0.000 0.000 0.000) 0.000 21.302 ( 0.000 0.000 0.000) 0.000 22.016 ( 0.000 0.000 0.000) 0.000 22.065 ( 0.000 0.000 0.000) 0.000 22.359 ( 0.000 0.000 0.000) 0.000 24.598 ( 0.000 0.000 0.000) 0.000 25.436 ( 0.000 0.000 0.000) 0.000 25.542 ( 0.000 0.000 0.000) 0.000 25.560 ( 0.000 0.000 0.000) 0.000 25.687 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/84) ======================= q-point: (-0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( 4.207 -19.726 -18.555) 27.406 2.104 ( 8.590 -18.776 -16.117) 26.193 2.319 ( 3.101 13.787 10.974) 17.892 2.607 ( 9.766 21.143 13.365) 26.852 2.972 ( 11.842 -24.115 -16.647) 31.605 3.368 ( 1.330 11.492 3.624) 12.124 3.674 ( 3.603 -4.535 9.689) 11.288 3.866 ( 0.417 11.931 -2.741) 12.249 4.111 ( 1.639 -8.825 12.452) 15.350 4.322 ( -2.303 9.244 -7.743) 12.276 4.620 ( 2.317 -3.749 5.473) 7.027 4.687 ( 3.612 2.722 -2.887) 5.366 6.460 ( 7.656 -13.848 -1.956) 15.944 6.622 ( 6.447 -1.923 12.077) 13.824 6.985 ( 5.058 1.959 0.143) 5.426 7.069 ( 3.727 8.292 -2.542) 9.439 7.294 ( 2.143 -11.961 -9.301) 15.303 7.463 ( 5.550 1.299 2.965) 6.425 7.649 ( 7.950 -1.031 -0.392) 8.026 7.766 ( 4.861 -3.936 -5.750) 8.496 7.781 ( 11.334 7.379 2.786) 13.809 7.921 ( 5.172 6.813 4.997) 9.907 8.309 ( 12.523 -0.251 -3.308) 12.955 8.377 ( 14.913 4.596 -1.968) 15.729 8.906 ( -2.923 -12.896 5.513) 14.327 9.016 ( -3.817 -5.447 -1.706) 6.866 9.092 ( -4.139 2.458 -1.250) 4.973 9.375 ( -0.741 17.755 0.306) 17.773 9.751 ( 2.834 -3.739 -1.178) 4.837 9.901 ( -1.125 8.798 -5.356) 10.361 10.074 ( -5.862 -1.172 4.818) 7.678 10.133 ( -5.998 3.536 -3.786) 7.926 10.393 ( 1.908 -2.263 -6.013) 6.702 10.404 ( 0.844 -2.035 11.487) 11.697 10.657 ( -4.508 -9.405 6.446) 12.261 10.782 ( -2.814 -6.850 2.457) 7.803 10.878 ( -0.820 3.668 -4.331) 5.734 10.944 ( -1.609 3.287 -0.349) 3.676 11.019 ( 5.043 0.339 -3.832) 6.343 11.075 ( 4.265 2.489 -1.397) 5.132 11.185 ( 3.471 -1.399 -6.721) 7.692 11.227 ( 2.940 0.193 2.593) 3.924 11.314 ( 0.550 5.000 7.364) 8.918 11.425 ( -0.050 10.020 -5.480) 11.421 11.760 ( -2.802 -8.397 -0.855) 8.894 11.851 ( 1.019 -0.177 -2.355) 2.572 12.030 ( 7.440 -3.442 -4.166) 9.196 12.146 ( 2.049 6.523 10.568) 12.587 12.341 ( -3.148 -7.517 -0.847) 8.194 12.443 ( -3.509 1.587 5.538) 6.745 12.499 ( 1.791 -6.351 3.884) 7.657 12.650 ( 3.436 7.537 -0.802) 8.322 13.020 ( -0.829 -5.232 3.095) 6.135 13.121 ( -1.460 4.043 -0.690) 4.354 13.326 ( -0.637 0.154 1.429) 1.572 13.337 ( -1.198 1.074 -4.316) 4.606 13.500 ( -1.263 -0.879 -3.865) 4.160 13.544 ( 1.427 3.379 0.526) 3.706 13.807 ( -1.319 -2.187 5.037) 5.647 13.864 ( -4.098 3.016 -6.687) 8.402 14.291 ( -2.862 -3.694 8.630) 9.814 14.344 ( -2.844 1.213 -9.168) 9.675 14.645 ( -0.924 -5.063 4.285) 6.697 14.700 ( 1.232 0.129 -3.150) 3.385 15.022 ( -1.135 -7.578 2.176) 7.966 15.120 ( 1.332 0.153 -1.157) 1.771 15.396 ( 0.253 0.074 5.568) 5.574 15.515 ( -0.800 9.842 -8.462) 13.004 15.933 ( -0.579 -11.439 -4.580) 12.336 16.125 ( -5.075 6.457 3.012) 8.747 16.248 ( -11.886 -3.639 -1.268) 12.495 16.318 ( -8.612 2.940 -3.320) 9.687 16.463 ( 1.367 -3.460 2.025) 4.236 16.548 ( 2.048 4.569 1.214) 5.152 16.744 ( -4.792 -3.876 7.121) 9.418 16.816 ( -6.026 2.867 -8.490) 10.799 17.395 ( -8.564 -3.669 4.093) 10.177 17.467 ( -10.262 2.951 -3.975) 11.394 17.835 ( -12.362 -2.364 -0.544) 12.598 17.886 ( -8.973 2.519 -1.394) 9.424 18.197 ( -0.743 -0.853 -8.743) 8.816 18.237 ( -1.075 2.814 8.430) 8.952 18.431 ( -3.043 -2.349 -3.642) 5.296 18.455 ( -2.912 -0.027 3.389) 4.469 19.058 ( 21.177 -0.906 -3.926) 21.557 19.099 ( 25.838 3.087 7.164) 26.990 20.878 ( -0.552 -12.581 7.579) 14.698 21.198 ( -0.522 18.255 -7.414) 19.710 22.211 ( 4.178 -0.532 -2.350) 4.823 22.226 ( 2.352 0.776 2.712) 3.673 24.080 ( -19.840 -20.952 -1.476) 28.893 24.445 ( -11.038 14.571 2.617) 18.466 25.581 ( 1.611 -2.824 0.506) 3.290 25.606 ( 0.190 -0.367 -0.526) 0.669 25.678 ( 2.041 2.708 -0.591) 3.442 25.700 ( 4.832 2.812 -0.517) 5.615 ======================= Grid point 2 (3/84) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 26.280 16.528 -0.000) 31.046 1.661 ( 31.074 14.048 -0.000) 34.102 2.327 ( 32.891 22.896 -0.000) 40.075 2.829 ( -1.854 -4.779 0.000) 5.126 3.203 ( -2.630 -4.941 0.000) 5.598 3.516 ( 2.749 -14.451 0.000) 14.710 3.928 ( -0.371 -2.679 0.000) 2.705 4.053 ( -6.158 -15.506 0.000) 16.685 4.330 ( 6.510 3.359 -0.000) 7.325 4.469 ( 2.328 6.287 -0.000) 6.704 4.605 ( 3.137 4.590 -0.000) 5.560 4.743 ( -5.967 -3.926 0.000) 7.143 6.417 ( 17.371 8.754 -0.000) 19.453 6.615 ( 1.938 10.205 -0.000) 10.387 6.956 ( -11.152 -2.223 0.000) 11.371 7.271 ( 17.827 -0.683 0.000) 17.840 7.499 ( 3.695 9.699 -0.000) 10.378 7.536 ( 16.249 -7.497 0.000) 17.895 7.579 ( 8.043 0.485 -0.000) 8.058 8.010 ( 14.794 7.000 -0.000) 16.366 8.279 ( 21.388 -2.380 0.000) 21.520 8.355 ( 11.650 -2.959 0.000) 12.020 8.448 ( 15.679 -2.940 0.000) 15.952 8.738 ( -13.734 2.213 -0.000) 13.911 8.863 ( 25.527 -6.218 0.000) 26.274 9.007 ( 6.945 4.303 -0.000) 8.170 9.324 ( -0.899 0.892 -0.000) 1.267 9.443 ( 3.145 -12.204 0.000) 12.603 9.669 ( 0.202 4.539 -0.000) 4.543 9.783 ( 2.815 -5.294 0.000) 5.996 9.866 ( -1.862 -5.741 0.000) 6.036 10.299 ( -4.051 2.395 -0.000) 4.706 10.327 ( -5.691 -3.253 0.000) 6.555 10.534 ( -5.626 -6.082 0.000) 8.285 10.624 ( -0.703 11.017 -0.000) 11.040 10.644 ( -10.578 0.389 -0.000) 10.585 10.699 ( -3.533 -1.616 0.000) 3.885 10.917 ( -3.546 5.623 -0.000) 6.647 11.015 ( 1.364 2.335 -0.000) 2.704 11.073 ( 10.033 -5.026 0.000) 11.221 11.245 ( 8.258 -2.368 0.000) 8.590 11.460 ( 10.475 -2.998 0.000) 10.896 11.477 ( -2.076 -6.461 0.000) 6.786 11.596 ( -6.070 -3.273 0.000) 6.896 11.667 ( 10.011 -3.932 0.000) 10.755 11.707 ( -1.303 1.011 -0.000) 1.649 12.060 ( 4.553 1.310 -0.000) 4.738 12.183 ( -4.206 0.823 -0.000) 4.286 12.388 ( -2.193 10.467 -0.000) 10.694 12.440 ( -2.998 0.593 -0.000) 3.056 12.744 ( -6.463 -4.200 0.000) 7.707 12.927 ( -5.454 2.234 -0.000) 5.894 13.073 ( -0.461 -3.478 0.000) 3.508 13.194 ( 3.640 -5.502 0.000) 6.597 13.218 ( -1.178 -2.148 0.000) 2.450 13.274 ( 0.680 2.127 -0.000) 2.233 13.461 ( 5.210 2.511 -0.000) 5.784 13.534 ( -4.293 -4.176 0.000) 5.989 13.604 ( -3.305 -0.846 0.000) 3.412 13.788 ( -1.736 -1.643 0.000) 2.390 14.112 ( 9.261 1.396 -0.000) 9.365 14.289 ( -6.466 7.971 -0.000) 10.264 14.529 ( -2.067 3.266 -0.000) 3.865 14.663 ( -2.960 6.425 -0.000) 7.074 14.825 ( -12.543 4.719 -0.000) 13.402 15.010 ( -6.020 5.087 -0.000) 7.881 15.303 ( 3.781 -0.709 0.000) 3.847 15.559 ( -12.026 1.009 -0.000) 12.069 15.617 ( 0.523 9.712 -0.000) 9.726 15.624 ( -0.535 -0.620 0.000) 0.819 16.061 ( 0.974 1.890 -0.000) 2.126 16.176 ( -23.715 -0.871 0.000) 23.731 16.429 ( 2.523 0.752 -0.000) 2.632 16.577 ( -6.126 -1.062 0.000) 6.217 16.597 ( -4.045 -1.073 0.000) 4.185 16.716 ( 4.522 1.741 -0.000) 4.846 17.139 ( -12.910 0.015 0.000) 12.910 17.492 ( -6.606 -3.102 0.000) 7.298 17.678 ( -1.844 4.412 -0.000) 4.782 17.801 ( -3.849 -5.067 0.000) 6.363 17.876 ( -3.728 0.803 -0.000) 3.813 18.022 ( -8.529 2.987 -0.000) 9.037 18.441 ( -4.060 1.998 -0.000) 4.525 18.453 ( -2.642 -1.339 0.000) 2.962 19.463 ( 25.348 -0.405 0.000) 25.352 20.470 ( 16.674 -34.598 0.000) 38.406 20.771 ( -5.088 6.016 -0.000) 7.879 21.123 ( -4.279 -6.481 0.000) 7.766 22.319 ( 4.491 -0.366 0.000) 4.506 22.344 ( 8.700 -0.780 0.000) 8.735 22.744 ( -17.311 39.180 -0.000) 42.834 24.803 ( -17.330 -16.761 0.000) 24.110 25.457 ( 0.405 0.179 -0.000) 0.443 25.552 ( 0.159 2.378 -0.000) 2.383 25.636 ( 0.217 3.835 -0.000) 3.841 25.955 ( 3.382 -3.455 0.000) 4.834 ======================= Grid point 3 (4/84) ======================= q-point: (-0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( 20.713 -6.505 -3.744) 22.030 2.376 ( 19.734 -7.726 -13.326) 25.034 2.825 ( 9.125 6.306 -3.972) 11.782 3.219 ( 7.176 -4.134 -0.354) 8.289 3.308 ( 4.289 5.039 -3.280) 7.385 3.570 ( 3.849 10.574 2.561) 11.540 3.750 ( -2.121 3.011 0.988) 3.813 3.897 ( -7.238 3.078 6.295) 10.074 4.110 ( 2.632 -0.900 -0.543) 2.834 4.338 ( 2.898 -4.154 7.390) 8.959 4.623 ( -2.324 -3.981 3.089) 5.549 4.703 ( -2.172 -4.764 -0.342) 5.246 6.591 ( 11.363 -9.633 9.593) 17.718 6.879 ( 2.366 -6.582 -7.756) 10.444 7.151 ( -2.958 -1.741 -16.106) 16.468 7.317 ( 22.732 -3.552 4.422) 23.428 7.546 ( -3.934 -1.108 12.369) 13.027 7.903 ( 12.907 3.932 -4.007) 14.075 8.095 ( 10.128 -4.783 -4.009) 11.896 8.110 ( 16.068 0.560 -6.768) 17.444 8.364 ( 9.930 0.246 3.032) 10.385 8.505 ( 18.253 2.368 0.774) 18.422 8.810 ( 12.669 4.120 -2.008) 13.473 8.911 ( 12.685 0.676 0.002) 12.703 9.089 ( 8.664 -1.483 0.905) 8.836 9.133 ( 3.708 13.262 3.275) 14.155 9.406 ( 18.499 2.126 1.827) 18.711 9.606 ( -2.512 5.037 -2.011) 5.977 9.716 ( -1.368 -4.226 -1.357) 4.644 9.817 ( -5.772 4.713 1.453) 7.592 9.922 ( -5.065 -4.475 5.877) 8.956 10.052 ( -4.481 -4.150 3.191) 6.891 10.210 ( -1.283 1.308 3.928) 4.334 10.301 ( -7.725 -6.651 1.908) 10.371 10.434 ( 1.197 -1.858 0.992) 2.423 10.520 ( -0.840 4.343 -4.738) 6.482 10.831 ( 2.019 4.144 -1.060) 4.730 10.908 ( 0.199 7.715 3.718) 8.567 11.018 ( 0.183 -4.043 -1.933) 4.485 11.245 ( 1.787 0.123 0.393) 1.834 11.282 ( -4.628 0.124 0.675) 4.679 11.477 ( 2.551 4.327 -1.638) 5.283 11.554 ( -1.778 3.349 -2.151) 4.359 11.653 ( -0.307 -1.234 -2.183) 2.526 11.806 ( 16.665 0.690 -4.334) 17.233 11.968 ( -8.134 -1.501 3.726) 9.072 12.043 ( 4.920 3.802 -7.643) 9.853 12.176 ( 1.011 -4.407 -0.393) 4.538 12.229 ( 0.597 1.394 8.918) 9.046 12.417 ( 2.165 0.143 -2.548) 3.347 12.494 ( 9.390 -6.037 -0.732) 11.187 12.769 ( -7.740 -3.898 4.848) 9.930 13.001 ( -6.578 3.601 0.160) 7.501 13.093 ( 6.262 5.761 8.809) 12.247 13.255 ( 0.853 -1.079 1.041) 1.725 13.330 ( 0.702 2.319 -0.600) 2.496 13.410 ( 1.334 -0.654 -1.420) 2.055 13.594 ( -5.829 2.945 -1.363) 6.671 13.771 ( 2.410 -0.799 -8.269) 8.651 13.849 ( 3.433 2.041 0.926) 4.100 14.114 ( -3.444 -3.521 4.009) 6.351 14.253 ( -2.651 0.817 -3.083) 4.148 14.309 ( -5.176 -11.404 1.386) 12.600 14.625 ( -4.669 -5.236 5.591) 8.971 14.734 ( -4.014 -1.367 -7.442) 8.565 15.031 ( -9.937 1.001 -6.920) 12.150 15.315 ( -23.157 -1.205 -5.049) 23.732 15.454 ( -23.477 2.211 0.980) 23.601 15.519 ( -0.073 0.646 -1.117) 1.292 15.599 ( -0.761 1.575 -0.779) 1.915 15.765 ( -3.914 -3.947 -3.495) 6.566 16.161 ( -1.497 3.280 -4.139) 5.489 16.512 ( 2.428 -3.090 1.528) 4.216 16.546 ( -0.417 0.745 -0.204) 0.877 16.629 ( 3.089 1.398 1.039) 3.546 16.804 ( 4.168 0.373 -3.291) 5.323 17.018 ( -7.473 0.019 -5.963) 9.560 17.141 ( -5.697 2.212 8.244) 10.262 17.351 ( -9.139 -3.239 4.357) 10.629 17.590 ( -10.389 3.173 -3.439) 11.394 18.054 ( -3.907 -0.294 -0.299) 3.930 18.157 ( -5.576 -4.298 2.257) 7.393 18.228 ( -1.828 2.993 -1.267) 3.729 18.317 ( -3.244 -0.536 -0.697) 3.361 19.928 ( 21.817 -0.844 3.304) 22.082 20.066 ( 12.955 2.139 16.717) 21.257 20.629 ( -1.408 -5.543 0.603) 5.751 21.482 ( -8.633 21.634 -10.651) 25.612 22.251 ( 1.436 -6.219 1.863) 6.648 22.705 ( -1.390 -13.337 -5.769) 14.598 22.748 ( 5.117 -7.125 -4.742) 9.972 24.258 ( -16.077 16.949 4.899) 23.869 25.532 ( 0.022 -5.953 0.646) 5.987 25.583 ( -2.441 -1.015 -3.707) 4.553 25.651 ( 1.323 -0.052 -0.312) 1.360 25.854 ( -1.242 1.533 5.219) 5.579 ======================= Grid point 4 (5/84) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.674 ( 11.378 7.506 -0.000) 13.631 2.750 ( 4.103 -3.972 0.000) 5.711 3.018 ( 18.229 8.322 -0.000) 20.039 3.081 ( 2.857 2.152 -0.000) 3.576 3.296 ( 0.613 0.327 -0.000) 0.695 3.342 ( 4.818 -9.756 0.000) 10.881 3.701 ( -6.792 -6.053 0.000) 9.098 3.788 ( 2.716 1.842 -0.000) 3.282 4.258 ( -7.014 -5.107 0.000) 8.676 4.385 ( -6.318 2.020 -0.000) 6.633 4.687 ( 4.926 -0.375 0.000) 4.940 4.788 ( -2.157 5.255 -0.000) 5.680 6.770 ( 1.222 2.389 -0.000) 2.684 6.883 ( 0.513 3.456 -0.000) 3.494 7.395 ( 9.191 18.859 -0.000) 20.979 7.729 ( 5.697 -11.464 0.000) 12.802 8.063 ( 13.078 -2.440 0.000) 13.304 8.110 ( 9.871 7.600 -0.000) 12.458 8.120 ( 4.829 -1.860 0.000) 5.175 8.290 ( -0.449 -0.823 0.000) 0.937 8.470 ( 11.485 9.489 -0.000) 14.898 8.660 ( -3.612 0.555 -0.000) 3.655 8.841 ( 13.242 -15.823 0.000) 20.633 9.012 ( 0.400 -10.449 0.000) 10.457 9.019 ( 19.964 7.792 -0.000) 21.431 9.379 ( 2.253 2.675 -0.000) 3.498 9.522 ( -8.913 -1.803 0.000) 9.094 9.632 ( 9.716 -0.693 0.000) 9.741 9.729 ( 7.010 1.057 -0.000) 7.090 9.889 ( -11.147 0.278 -0.000) 11.151 9.944 ( -5.532 -7.961 0.000) 9.695 10.082 ( -11.579 -5.332 0.000) 12.748 10.158 ( 10.545 0.652 -0.000) 10.565 10.357 ( -2.952 0.371 -0.000) 2.975 10.373 ( 1.857 -10.610 0.000) 10.772 10.544 ( 12.480 8.550 -0.000) 15.128 10.602 ( 12.164 2.837 -0.000) 12.491 10.836 ( -8.150 -2.253 0.000) 8.456 10.968 ( -16.453 6.630 -0.000) 17.738 11.201 ( -5.433 -6.441 0.000) 8.426 11.220 ( 3.859 -5.950 0.000) 7.092 11.498 ( 6.727 3.866 -0.000) 7.759 11.587 ( -12.292 3.962 -0.000) 12.914 11.591 ( 7.743 6.704 -0.000) 10.242 11.860 ( 9.932 -4.989 0.000) 11.115 11.887 ( -3.999 3.051 -0.000) 5.030 12.081 ( 0.102 -1.358 0.000) 1.362 12.170 ( 14.602 1.891 -0.000) 14.724 12.477 ( -2.170 2.683 -0.000) 3.451 12.549 ( 1.839 -4.695 0.000) 5.043 12.625 ( -6.514 -2.721 0.000) 7.059 12.832 ( -17.122 -9.672 0.000) 19.665 12.885 ( 14.717 3.003 -0.000) 15.021 13.220 ( -1.343 -2.297 0.000) 2.661 13.228 ( 12.142 1.850 -0.000) 12.282 13.300 ( 12.019 -3.942 0.000) 12.649 13.353 ( 1.636 1.790 -0.000) 2.425 13.444 ( -3.872 2.390 -0.000) 4.551 13.838 ( -0.837 2.078 -0.000) 2.241 13.869 ( 10.973 0.774 -0.000) 11.000 14.034 ( -13.549 -1.142 0.000) 13.597 14.391 ( -15.774 6.127 -0.000) 16.922 14.403 ( 0.337 -2.559 0.000) 2.581 14.533 ( 0.343 3.816 -0.000) 3.831 14.599 ( 0.469 5.399 -0.000) 5.419 14.812 ( -25.498 0.277 0.000) 25.500 14.831 ( -5.449 0.339 -0.000) 5.460 14.888 ( -22.083 2.239 -0.000) 22.196 15.498 ( 4.533 3.108 -0.000) 5.496 15.745 ( 5.443 -4.289 0.000) 6.930 15.765 ( -3.976 6.940 -0.000) 7.999 15.902 ( -5.383 -4.054 0.000) 6.739 16.495 ( 2.403 -3.387 0.000) 4.153 16.521 ( 1.094 2.758 -0.000) 2.967 16.651 ( 6.002 2.470 -0.000) 6.491 16.825 ( -0.804 -1.181 0.000) 1.429 16.994 ( 3.701 1.663 -0.000) 4.057 17.078 ( -7.776 -3.716 0.000) 8.619 17.462 ( -8.419 1.778 -0.000) 8.605 17.580 ( -5.950 -1.648 0.000) 6.174 17.780 ( -2.460 4.979 -0.000) 5.553 17.789 ( 0.567 -4.138 0.000) 4.176 18.312 ( -0.940 -3.196 0.000) 3.331 18.316 ( -4.339 3.582 -0.000) 5.626 20.358 ( 17.718 -9.528 0.000) 20.118 20.451 ( 5.069 -8.334 0.000) 9.754 20.737 ( -5.583 10.573 -0.000) 11.956 20.784 ( -5.431 -2.170 0.000) 5.848 22.571 ( 7.328 11.408 -0.000) 13.559 22.819 ( 15.376 -10.248 0.000) 18.478 22.839 ( -10.157 21.789 -0.000) 24.040 23.639 ( -18.443 -19.885 0.000) 27.121 25.547 ( 3.236 1.900 -0.000) 3.753 25.626 ( 0.459 3.797 -0.000) 3.824 25.672 ( -1.577 1.232 -0.000) 2.001 25.826 ( -3.775 -5.052 0.000) 6.307 ======================= Grid point 5 (6/84) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.889 ( -10.216 -0.000 -9.789) 14.149 2.889 ( 10.216 0.000 9.789) 14.149 3.141 ( 7.421 -0.000 -10.416) 12.789 3.141 ( -7.421 0.000 10.416) 12.789 3.393 ( 12.543 -0.000 -11.556) 17.055 3.393 ( -12.543 0.000 11.556) 17.055 3.860 ( 0.447 -0.000 -6.340) 6.356 3.860 ( -0.447 0.000 6.340) 6.356 4.327 ( 5.984 -0.000 -2.932) 6.664 4.327 ( -5.984 0.000 2.932) 6.664 4.439 ( -6.932 -0.000 -8.198) 10.736 4.439 ( 6.932 0.000 8.198) 10.736 6.853 ( 1.177 -0.000 -2.118) 2.423 6.853 ( -1.177 0.000 2.118) 2.423 7.082 ( 10.451 -0.000 -16.479) 19.513 7.082 ( -10.451 0.000 16.479) 19.513 8.173 ( -8.529 -0.000 -3.549) 9.238 8.173 ( 8.529 0.000 3.549) 9.238 8.544 ( -25.308 0.000 3.771) 25.588 8.544 ( 25.308 -0.000 -3.771) 25.588 8.777 ( -18.060 -0.000 -7.658) 19.617 8.777 ( 18.060 0.000 7.658) 19.617 9.028 ( -5.170 -0.000 -2.076) 5.571 9.028 ( 5.170 0.000 2.076) 5.571 9.136 ( -19.872 0.000 -4.101) 20.291 9.136 ( 19.872 -0.000 4.101) 20.291 9.644 ( 16.333 -0.000 -7.729) 18.069 9.644 ( -16.333 0.000 7.729) 18.069 9.816 ( 1.832 -0.000 -2.471) 3.076 9.816 ( -1.832 0.000 2.471) 3.076 10.239 ( -12.172 0.000 -4.367) 12.931 10.239 ( 12.172 -0.000 4.367) 12.931 10.357 ( -28.879 0.000 -0.621) 28.886 10.357 ( 28.879 -0.000 0.621) 28.886 10.463 ( -12.711 0.000 -4.670) 13.541 10.463 ( 12.711 -0.000 4.670) 13.541 10.519 ( -18.265 0.000 -1.741) 18.348 10.519 ( 18.265 -0.000 1.741) 18.348 10.892 ( -5.436 0.000 -0.778) 5.491 10.892 ( 5.436 -0.000 0.778) 5.491 11.498 ( -1.142 -0.000 -0.590) 1.286 11.498 ( 1.142 0.000 0.590) 1.286 11.643 ( 0.576 -0.000 -8.279) 8.299 11.643 ( -0.576 0.000 8.279) 8.299 11.928 ( -17.703 0.000 2.454) 17.872 11.928 ( 17.703 -0.000 -2.454) 17.872 12.178 ( 1.681 -0.000 -9.379) 9.529 12.178 ( -1.681 0.000 9.379) 9.529 12.440 ( -5.044 -0.000 -3.884) 6.366 12.440 ( 5.044 0.000 3.884) 6.366 12.782 ( -11.906 0.000 -2.845) 12.241 12.782 ( 11.906 -0.000 2.845) 12.241 13.244 ( -6.769 -0.000 -5.329) 8.615 13.244 ( 6.769 0.000 5.329) 8.615 13.394 ( -16.272 0.000 -1.755) 16.366 13.394 ( 16.272 -0.000 1.755) 16.366 13.499 ( -9.786 0.000 -0.185) 9.788 13.499 ( 9.786 -0.000 0.185) 9.788 13.747 ( -11.763 0.000 -0.412) 11.770 13.747 ( 11.763 -0.000 0.412) 11.770 14.018 ( -11.776 0.000 2.241) 11.988 14.018 ( 11.776 -0.000 -2.241) 11.988 14.249 ( -11.701 0.000 0.980) 11.742 14.249 ( 11.701 -0.000 -0.980) 11.742 14.438 ( -13.617 0.000 -4.311) 14.283 14.438 ( 13.617 -0.000 4.311) 14.283 14.815 ( -5.856 0.000 1.012) 5.943 14.815 ( 5.856 -0.000 -1.012) 5.943 15.576 ( 2.475 -0.000 -2.568) 3.567 15.576 ( -2.475 0.000 2.568) 3.567 15.940 ( -9.680 -0.000 -3.875) 10.427 15.940 ( 9.680 0.000 3.875) 10.427 16.625 ( -2.892 -0.000 -7.106) 7.672 16.625 ( 2.892 0.000 7.106) 7.672 16.905 ( 6.937 -0.000 -2.890) 7.515 16.905 ( -6.937 0.000 2.890) 7.515 16.926 ( -1.252 -0.000 -2.094) 2.440 16.926 ( 1.252 0.000 2.094) 2.440 17.167 ( -8.878 -0.000 -9.375) 12.912 17.167 ( 8.878 0.000 9.375) 12.912 17.954 ( -0.489 -0.000 -9.760) 9.772 17.954 ( 0.489 0.000 9.760) 9.772 18.233 ( 0.140 -0.000 -8.212) 8.214 18.233 ( -0.140 0.000 8.212) 8.214 20.349 ( -2.284 -0.000 -6.515) 6.903 20.349 ( 2.284 0.000 6.515) 6.903 21.019 ( -21.872 -0.000 -9.815) 23.974 21.019 ( 21.872 0.000 9.815) 23.974 22.206 ( -3.122 0.000 -0.586) 3.176 22.206 ( 3.122 -0.000 0.586) 3.176 23.646 ( -21.306 0.000 2.860) 21.497 23.646 ( 21.306 -0.000 -2.860) 21.497 25.493 ( -1.534 -0.000 -2.684) 3.092 25.493 ( 1.534 0.000 2.684) 3.092 25.755 ( 3.156 -0.000 -3.828) 4.961 25.755 ( -3.156 0.000 3.828) 4.961 ======================= Grid point 11 (7/84) ======================= q-point: (-0.23 -0.03 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( -0.000 -25.058 -24.003) 34.699 1.048 ( -0.000 -25.432 -27.123) 37.182 1.554 ( -0.000 -44.715 -30.048) 53.873 2.815 ( 0.000 7.437 8.205) 11.074 3.109 ( 0.000 13.125 11.571) 17.498 3.509 ( -0.000 6.443 -4.233) 7.709 3.821 ( 0.000 -0.746 14.324) 14.343 4.035 ( 0.000 3.660 4.778) 6.019 4.257 ( 0.000 3.524 5.059) 6.165 4.422 ( -0.000 -6.190 -4.501) 7.654 4.477 ( -0.000 10.448 -8.108) 13.225 4.806 ( 0.000 2.384 8.243) 8.580 6.124 ( -0.000 -3.068 -6.044) 6.778 6.747 ( -0.000 -11.998 -10.267) 15.791 6.749 ( 0.000 -2.242 12.149) 12.355 7.185 ( 0.000 4.640 9.964) 10.991 7.213 ( 0.000 2.529 9.714) 10.037 7.255 ( 0.000 -4.801 2.704) 5.510 7.556 ( -0.000 -0.610 -1.378) 1.507 7.680 ( -0.000 1.927 -2.065) 2.824 7.753 ( -0.000 0.177 -1.993) 2.001 8.050 ( -0.000 1.090 -14.754) 14.794 8.113 ( -0.000 4.445 -9.818) 10.777 8.199 ( 0.000 3.292 0.185) 3.297 8.851 ( 0.000 -5.700 18.828) 19.672 8.961 ( 0.000 -3.083 1.511) 3.433 9.222 ( -0.000 -3.565 -1.092) 3.729 9.544 ( -0.000 3.474 -6.425) 7.304 9.809 ( 0.000 15.225 2.189) 15.382 9.907 ( -0.000 -2.558 -18.431) 18.608 9.922 ( -0.000 5.505 -4.654) 7.209 10.265 ( 0.000 1.072 11.190) 11.241 10.485 ( 0.000 -2.756 2.278) 3.576 10.504 ( 0.000 -9.873 4.076) 10.681 10.673 ( 0.000 8.055 4.797) 9.375 10.757 ( 0.000 -3.690 14.173) 14.646 10.835 ( -0.000 2.852 -11.056) 11.418 10.936 ( 0.000 -0.552 2.021) 2.095 10.941 ( -0.000 -1.789 -6.021) 6.281 11.019 ( -0.000 2.246 -5.978) 6.386 11.040 ( -0.000 -0.797 -3.282) 3.378 11.208 ( -0.000 -1.209 -2.817) 3.066 11.468 ( -0.000 -4.911 -1.122) 5.037 11.554 ( 0.000 7.878 -2.090) 8.151 11.598 ( -0.000 -1.526 -1.882) 2.423 11.794 ( 0.000 5.577 0.928) 5.654 11.889 ( 0.000 -1.145 0.979) 1.506 12.215 ( -0.000 -7.903 2.361) 8.248 12.489 ( 0.000 -9.959 14.914) 17.933 12.501 ( 0.000 5.901 8.193) 10.097 12.684 ( 0.000 1.607 13.284) 13.381 12.781 ( 0.000 6.972 2.921) 7.559 13.047 ( 0.000 -2.535 7.703) 8.109 13.210 ( 0.000 3.082 -0.927) 3.218 13.241 ( -0.000 -0.561 -4.014) 4.053 13.346 ( -0.000 0.974 -14.886) 14.918 13.404 ( 0.000 -2.911 7.444) 7.992 13.591 ( -0.000 4.308 -3.957) 5.849 13.797 ( 0.000 -3.162 1.867) 3.672 13.887 ( -0.000 8.230 -9.434) 12.519 14.097 ( -0.000 -0.825 -17.404) 17.423 14.413 ( 0.000 -0.971 5.128) 5.219 14.542 ( -0.000 -8.528 -0.314) 8.534 14.656 ( 0.000 -6.491 3.779) 7.511 15.019 ( 0.000 -4.566 9.085) 10.168 15.050 ( 0.000 -1.845 3.906) 4.320 15.537 ( 0.000 1.580 3.860) 4.171 15.603 ( -0.000 14.550 -13.462) 19.823 15.611 ( -0.000 -9.981 -1.842) 10.150 16.095 ( -0.000 -2.022 -17.208) 17.327 16.230 ( -0.000 -1.146 -8.835) 8.909 16.346 ( 0.000 2.696 2.856) 3.927 16.544 ( 0.000 0.390 4.880) 4.896 16.667 ( 0.000 -1.594 5.075) 5.320 16.797 ( -0.000 1.488 -4.853) 5.076 16.891 ( 0.000 -10.753 16.569) 19.753 17.538 ( 0.000 -4.164 10.454) 11.253 17.585 ( -0.000 1.678 -1.401) 2.186 17.962 ( -0.000 7.078 -17.168) 18.570 17.985 ( -0.000 -2.560 -0.576) 2.624 18.103 ( -0.000 0.998 -0.630) 1.180 18.395 ( -0.000 -3.488 -2.257) 4.155 18.406 ( 0.000 2.974 6.847) 7.465 18.525 ( 0.000 -0.954 1.768) 2.009 18.703 ( -0.000 -2.467 0.282) 2.483 18.797 ( -0.000 1.880 -1.364) 2.323 20.832 ( 0.000 -5.450 6.010) 8.113 21.456 ( -0.000 25.659 -16.324) 30.411 22.081 ( -0.000 -1.711 -3.171) 3.603 22.304 ( 0.000 1.979 3.035) 3.623 24.204 ( 0.000 -24.990 23.431) 34.257 24.593 ( -0.000 3.059 -2.532) 3.971 25.518 ( 0.000 -1.429 1.917) 2.391 25.592 ( -0.000 -0.243 -1.276) 1.299 25.673 ( -0.000 2.713 -1.301) 3.009 25.721 ( -0.000 12.145 -11.695) 16.860 ======================= Grid point 12 (8/84) ======================= q-point: ( 0.28 -0.03 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( 10.790 25.630 9.389) 29.351 1.804 ( 14.850 25.135 16.068) 33.324 2.549 ( 0.841 -7.120 -11.544) 13.589 2.691 ( 12.258 31.549 11.115) 35.625 2.841 ( 5.573 -18.078 -12.365) 22.600 3.307 ( 0.813 -11.221 9.828) 14.938 3.800 ( -3.171 -5.994 -5.393) 8.664 3.944 ( -0.350 -7.007 -5.178) 8.720 4.131 ( 2.601 -5.120 2.078) 6.107 4.371 ( 6.192 -0.412 -6.971) 9.333 4.567 ( 4.474 -0.150 4.893) 6.632 4.729 ( -1.222 -2.311 -2.400) 3.549 6.377 ( 8.508 8.495 5.507) 13.224 6.806 ( 8.180 -8.272 -6.583) 13.367 6.964 ( -2.511 8.742 5.911) 10.848 6.997 ( -0.408 -6.342 0.061) 6.355 7.208 ( 9.378 2.843 1.645) 9.937 7.526 ( 3.911 5.507 -4.209) 7.959 7.669 ( 4.027 -0.329 -1.404) 4.277 7.689 ( 9.575 2.078 1.720) 9.948 7.829 ( 11.661 -0.645 -3.344) 12.148 8.041 ( 6.965 -7.095 -5.645) 11.433 8.247 ( 11.501 3.621 3.099) 12.449 8.319 ( 16.100 -0.936 4.112) 16.643 8.992 ( -5.102 3.036 -3.890) 7.098 9.009 ( -2.724 5.334 -0.606) 6.020 9.153 ( -3.620 1.682 -8.221) 9.139 9.386 ( -2.628 -16.000 -0.722) 16.230 9.636 ( 3.405 3.054 10.324) 11.292 9.795 ( 1.963 -4.977 4.749) 7.154 9.932 ( -4.384 2.791 14.415) 15.323 10.222 ( -0.804 -1.755 -10.382) 10.560 10.399 ( -3.064 -5.941 -3.496) 7.544 10.573 ( -6.372 4.750 -5.871) 9.881 10.719 ( -1.786 -6.294 6.814) 9.447 10.815 ( 0.907 6.763 -0.568) 6.847 10.826 ( -2.364 3.993 -6.389) 7.897 10.899 ( 0.983 4.012 5.891) 7.194 10.978 ( 1.245 -1.643 -1.244) 2.408 11.065 ( 6.340 -1.658 -0.031) 6.554 11.079 ( 4.926 -1.955 3.277) 6.231 11.246 ( -0.810 2.473 1.823) 3.177 11.371 ( 0.889 -5.348 0.138) 5.423 11.461 ( 0.539 -4.496 -7.402) 8.677 11.720 ( 0.310 8.735 3.100) 9.274 11.768 ( 1.030 1.212 6.044) 6.250 11.968 ( 5.811 -0.742 2.332) 6.305 12.286 ( -3.212 -6.313 -2.083) 7.383 12.361 ( 0.372 1.966 -6.944) 7.226 12.490 ( -2.784 -5.498 1.670) 6.385 12.618 ( -0.717 -1.442 -6.617) 6.810 12.702 ( 4.153 -7.044 -7.387) 11.019 13.100 ( -1.522 2.932 -5.315) 6.258 13.119 ( -0.253 -5.891 -0.086) 5.897 13.215 ( -2.810 1.799 5.776) 6.671 13.372 ( 2.502 2.840 6.365) 7.405 13.443 ( -2.268 2.417 -6.665) 7.444 13.564 ( 1.077 0.294 -0.141) 1.125 13.743 ( -4.125 -2.030 6.547) 8.001 13.884 ( -2.315 3.292 -2.080) 4.531 14.100 ( 1.161 1.079 12.159) 12.262 14.422 ( -1.843 0.894 -1.887) 2.785 14.672 ( -1.502 2.316 -0.998) 2.935 14.766 ( -1.526 4.936 -7.785) 9.343 15.047 ( -2.748 2.243 0.507) 3.583 15.117 ( 0.852 0.974 -2.253) 2.598 15.346 ( -0.645 -5.715 8.603) 10.348 15.516 ( 0.137 1.597 -5.871) 6.085 15.864 ( -1.589 11.127 2.475) 11.509 16.036 ( -9.319 4.841 10.831) 15.085 16.208 ( -4.298 -0.753 6.086) 7.489 16.276 ( -0.294 -3.479 -3.770) 5.139 16.508 ( -6.112 0.101 -1.404) 6.272 16.591 ( 1.375 -3.023 -2.478) 4.144 16.701 ( -4.243 -2.393 4.367) 6.542 16.893 ( -11.898 6.130 -8.697) 15.962 17.397 ( -11.039 -1.480 1.340) 11.219 17.527 ( -8.252 1.104 -6.506) 10.567 17.797 ( -6.211 3.070 2.166) 7.259 17.884 ( -9.745 0.134 0.478) 9.758 18.040 ( -1.376 1.550 7.279) 7.569 18.312 ( -7.988 0.401 2.766) 8.462 18.407 ( 0.538 0.010 -4.417) 4.449 18.504 ( -1.564 -0.185 -1.248) 2.009 19.000 ( 20.554 -0.530 2.297) 20.688 19.245 ( 30.488 -8.676 -8.217) 32.746 20.988 ( -1.675 11.791 -4.408) 12.699 21.042 ( 0.040 -16.257 9.079) 18.620 22.166 ( 4.467 0.701 2.133) 5.000 22.274 ( 2.005 -1.428 -2.149) 3.268 24.009 ( -26.945 18.063 4.566) 32.759 24.577 ( -7.548 -13.947 -9.703) 18.591 25.548 ( -1.669 -0.283 5.133) 5.404 25.589 ( 1.593 3.053 -0.267) 3.454 25.654 ( 2.615 -0.666 0.680) 2.783 25.725 ( 7.760 -1.997 -1.493) 8.151 ======================= Grid point 13 (9/84) ======================= q-point: (-0.23 -0.03 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( 28.387 -0.000 -13.965) 31.636 1.497 ( 31.328 -0.000 -2.923) 31.464 2.333 ( 34.948 -0.000 -24.132) 42.470 2.829 ( -0.583 0.000 4.243) 4.283 3.292 ( -0.820 -0.000 -2.343) 2.483 3.699 ( 3.501 -0.000 -0.812) 3.594 3.884 ( 2.246 0.000 9.503) 9.765 4.180 ( -1.186 0.000 9.518) 9.592 4.279 ( -2.141 0.000 3.334) 3.962 4.281 ( 1.937 0.000 3.632) 4.116 4.600 ( -0.802 -0.000 -7.483) 7.526 4.739 ( -4.151 0.000 5.805) 7.136 6.324 ( 13.908 -0.000 0.757) 13.929 6.587 ( 2.335 -0.000 -9.578) 9.859 6.940 ( 3.745 0.000 7.071) 8.001 7.122 ( 2.528 0.000 4.539) 5.196 7.506 ( 10.571 -0.000 -8.913) 13.828 7.697 ( 7.356 -0.000 -9.604) 12.098 7.718 ( 17.166 -0.000 -3.199) 17.461 7.838 ( 8.044 0.000 4.573) 9.253 8.199 ( 23.511 0.000 10.167) 25.615 8.394 ( 17.253 -0.000 -2.837) 17.484 8.450 ( -12.266 0.000 16.440) 20.512 8.553 ( 17.314 -0.000 -3.697) 17.704 8.935 ( 30.141 -0.000 3.177) 30.308 9.024 ( 1.009 -0.000 -1.386) 1.714 9.371 ( -8.567 -0.000 -5.617) 10.244 9.673 ( 17.094 -0.000 -2.739) 17.312 9.684 ( -5.569 -0.000 -8.029) 9.771 9.823 ( -9.830 -0.000 -6.553) 11.815 9.966 ( -1.267 0.000 0.958) 1.589 10.198 ( -3.230 0.000 6.229) 7.017 10.297 ( 0.633 0.000 7.185) 7.213 10.482 ( -9.516 0.000 1.859) 9.696 10.616 ( -6.842 0.000 5.479) 8.765 10.622 ( -0.076 0.000 2.740) 2.741 10.675 ( -5.300 -0.000 -3.189) 6.185 10.904 ( -1.570 -0.000 -3.936) 4.238 11.024 ( 0.615 -0.000 -4.550) 4.591 11.223 ( 5.892 0.000 3.322) 6.764 11.231 ( 8.782 -0.000 -7.095) 11.290 11.428 ( 11.054 -0.000 1.009) 11.100 11.568 ( -4.924 0.000 3.432) 6.002 11.601 ( -1.435 -0.000 -3.801) 4.063 11.714 ( -5.773 0.000 1.378) 5.936 11.836 ( 16.336 -0.000 1.408) 16.397 12.032 ( 3.910 -0.000 -0.713) 3.975 12.122 ( 0.427 0.000 4.228) 4.250 12.199 ( -3.947 -0.000 -3.661) 5.384 12.439 ( -3.513 0.000 0.656) 3.574 12.571 ( -5.133 0.000 13.962) 14.875 12.977 ( -3.480 0.000 8.535) 9.217 13.100 ( -7.980 -0.000 -11.930) 14.353 13.199 ( 7.628 0.000 9.230) 11.974 13.221 ( -1.191 0.000 2.344) 2.629 13.271 ( 2.084 -0.000 -3.884) 4.408 13.394 ( 2.694 0.000 1.850) 3.268 13.619 ( -3.356 -0.000 -4.192) 5.370 13.703 ( -2.335 -0.000 -2.481) 3.406 13.918 ( 0.672 -0.000 -5.648) 5.688 14.115 ( -8.929 0.000 3.782) 9.697 14.149 ( 4.757 -0.000 -6.501) 8.055 14.451 ( -5.454 0.000 9.295) 10.777 14.597 ( -2.525 -0.000 -8.225) 8.604 14.760 ( -5.703 0.000 1.920) 6.017 15.024 ( -2.621 -0.000 -6.149) 6.684 15.404 ( -1.278 -0.000 -9.043) 9.133 15.550 ( 2.416 -0.000 -4.987) 5.542 15.610 ( 1.568 0.000 2.084) 2.608 15.613 ( -17.367 -0.000 -7.605) 18.959 16.049 ( -1.508 0.000 0.021) 1.508 16.166 ( -18.053 0.000 0.645) 18.064 16.421 ( 2.607 -0.000 0.047) 2.608 16.621 ( -7.002 -0.000 -3.530) 7.841 16.663 ( 3.198 -0.000 -2.553) 4.092 16.680 ( -1.346 0.000 -0.071) 1.348 17.152 ( -12.472 0.000 -1.624) 12.577 17.460 ( -3.150 0.000 12.021) 12.427 17.533 ( -7.221 0.000 0.802) 7.265 17.808 ( -7.404 0.000 1.972) 7.662 18.046 ( -5.711 -0.000 -8.804) 10.494 18.071 ( -1.638 -0.000 -11.347) 11.465 18.370 ( -5.000 0.000 5.333) 7.310 18.439 ( -2.514 0.000 3.174) 4.049 19.464 ( 24.644 -0.000 0.271) 24.646 20.333 ( 14.839 0.000 38.779) 41.522 20.673 ( -4.555 0.000 3.489) 5.738 21.876 ( -20.328 -0.000 -30.447) 36.609 22.075 ( 2.231 0.000 2.632) 3.450 22.378 ( -4.250 -0.000 -8.603) 9.596 22.386 ( 14.772 -0.000 -3.043) 15.083 24.877 ( -12.685 0.000 10.491) 16.461 25.493 ( -0.216 0.000 2.601) 2.610 25.551 ( -4.100 -0.000 -7.435) 8.491 25.603 ( 0.650 -0.000 -1.851) 1.962 25.959 ( 2.000 0.000 3.849) 4.337 ======================= Grid point 14 (10/84) ======================= q-point: ( 0.28 -0.03 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.449 ( 9.307 -6.381 -7.119) 13.342 2.628 ( 14.558 9.718 -4.562) 18.088 2.831 ( 11.613 -3.919 -4.557) 13.076 2.969 ( 11.962 11.385 0.430) 16.520 3.208 ( 1.618 -0.912 11.875) 12.020 3.337 ( 2.827 0.549 6.884) 7.462 3.771 ( -6.022 3.282 -0.824) 6.907 3.801 ( 0.482 1.324 -1.503) 2.060 4.253 ( -0.629 -0.058 -1.272) 1.420 4.369 ( 5.188 -8.698 -7.361) 12.520 4.631 ( -3.572 -2.351 5.295) 6.807 4.767 ( 3.298 -3.726 1.914) 5.332 6.647 ( 8.761 -10.572 8.176) 15.980 7.029 ( -3.370 0.852 5.884) 6.834 7.241 ( 13.959 -5.605 -4.468) 15.692 7.471 ( 6.127 9.679 -13.242) 17.509 7.634 ( 14.409 -7.436 -1.479) 16.282 7.799 ( 17.115 5.649 -3.194) 18.304 8.119 ( 8.233 -4.164 9.733) 13.411 8.228 ( 11.490 -1.285 -0.830) 11.591 8.362 ( 4.272 -1.474 -5.233) 6.915 8.480 ( 14.234 3.354 -4.091) 15.185 8.752 ( 11.045 8.695 6.101) 15.324 8.802 ( 0.079 5.093 -1.942) 5.451 8.850 ( 8.992 -1.413 2.980) 9.577 9.145 ( 9.964 -0.329 -6.707) 12.016 9.354 ( 19.106 0.199 2.882) 19.324 9.563 ( 4.335 2.366 -2.440) 5.509 9.725 ( -3.451 -1.195 4.801) 6.032 9.809 ( 2.226 -2.146 -0.566) 3.143 9.913 ( -4.862 -1.099 -0.487) 5.008 10.097 ( 4.082 -1.800 6.309) 7.727 10.179 ( -9.162 -1.818 -5.942) 11.071 10.284 ( -4.812 -6.350 9.126) 12.114 10.522 ( 2.594 7.167 -6.206) 9.829 10.586 ( 0.281 1.410 6.970) 7.117 10.625 ( -8.984 -3.536 0.399) 9.663 10.798 ( -3.696 3.222 -7.896) 9.295 11.092 ( -1.041 -2.963 5.922) 6.703 11.220 ( -0.258 -0.504 -0.477) 0.741 11.312 ( -6.870 2.189 -2.474) 7.623 11.410 ( 9.643 -0.155 0.262) 9.648 11.489 ( 5.102 5.512 -0.926) 7.567 11.645 ( 11.278 5.630 1.571) 12.702 11.825 ( -2.250 -4.726 0.813) 5.297 11.959 ( -4.574 1.804 -1.446) 5.125 12.050 ( 4.571 4.066 2.733) 6.700 12.127 ( 3.608 1.309 5.995) 7.118 12.274 ( 0.412 -5.224 -8.165) 9.702 12.494 ( 2.901 1.376 -9.253) 9.795 12.656 ( 3.179 -4.995 0.477) 5.940 12.822 ( -0.608 -2.607 3.768) 4.622 12.873 ( 5.879 -0.820 2.078) 6.289 12.958 ( -10.279 -0.802 -3.670) 10.944 13.240 ( -0.799 1.356 3.855) 4.164 13.249 ( -1.941 -3.157 5.641) 6.749 13.461 ( -0.994 3.798 -1.969) 4.392 13.532 ( -2.321 2.309 -1.682) 3.681 13.767 ( 5.972 2.315 2.888) 7.026 13.887 ( 2.382 2.431 -1.850) 3.874 14.129 ( -4.535 -3.603 -0.965) 5.872 14.311 ( -2.114 0.553 -2.274) 3.154 14.488 ( -2.978 -7.860 -0.038) 8.406 14.657 ( -4.184 -4.999 4.484) 7.913 14.828 ( -8.010 2.093 -2.332) 8.601 15.061 ( -8.226 5.305 -3.237) 10.309 15.322 ( -23.168 2.813 2.633) 23.486 15.383 ( -7.146 1.501 -0.116) 7.303 15.537 ( -14.032 0.050 -1.943) 14.166 15.633 ( -3.474 1.555 -5.112) 6.373 15.893 ( -6.374 -5.497 0.478) 8.430 16.075 ( -3.079 8.828 0.262) 9.353 16.498 ( 1.985 0.693 1.739) 2.728 16.526 ( -2.804 1.452 0.893) 3.281 16.582 ( 5.954 -2.865 5.519) 8.609 16.852 ( 6.055 1.143 -4.237) 7.478 16.968 ( -7.627 1.175 3.623) 8.525 17.165 ( -8.776 -1.060 -4.148) 9.765 17.455 ( -6.742 -4.569 -7.746) 11.240 17.614 ( -9.989 3.788 -7.585) 13.102 17.945 ( -3.615 -2.987 12.938) 13.762 18.051 ( -3.284 3.557 8.541) 9.817 18.267 ( -3.955 -2.565 -3.179) 5.685 18.410 ( -3.753 0.894 -4.907) 6.242 19.883 ( 18.071 -2.804 5.184) 19.007 19.980 ( 17.451 -7.073 -1.070) 18.860 20.758 ( -0.850 -8.448 1.896) 8.700 21.177 ( -5.856 19.035 -3.693) 20.254 22.359 ( 6.434 -7.466 1.493) 9.968 22.620 ( 12.730 8.894 -2.152) 15.678 23.336 ( -16.707 -19.841 0.954) 25.956 23.793 ( -16.718 17.876 -1.922) 24.551 25.558 ( 1.109 1.661 2.270) 3.024 25.657 ( 0.247 1.031 -2.299) 2.531 25.720 ( -0.699 -5.295 0.528) 5.367 25.755 ( -1.707 -0.740 0.991) 2.108 ======================= Grid point 15 (11/84) ======================= q-point: (-0.23 -0.03 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.595 ( 18.147 3.826 -6.026) 19.500 2.733 ( 22.128 5.751 7.952) 24.206 2.886 ( 4.639 -2.353 -5.396) 7.495 3.132 ( -3.150 0.140 -7.242) 7.898 3.314 ( 4.277 1.906 -2.652) 5.381 3.609 ( 1.901 -12.132 -1.813) 12.413 3.746 ( -6.403 -6.268 6.532) 11.089 3.884 ( -2.774 -6.194 1.887) 7.044 4.175 ( -0.991 -0.158 4.121) 4.242 4.509 ( -5.894 2.718 -7.010) 9.553 4.562 ( 1.833 7.069 4.795) 8.737 4.604 ( -3.176 7.469 2.057) 8.372 6.758 ( 0.627 4.700 -7.689) 9.034 6.835 ( 0.999 7.525 -8.664) 11.519 7.014 ( 7.966 10.438 6.032) 14.450 7.693 ( -7.946 -3.163 21.510) 23.148 7.911 ( 22.814 4.143 1.926) 23.267 8.065 ( 10.335 1.879 -0.256) 10.508 8.207 ( 4.388 1.661 -4.634) 6.594 8.326 ( 18.117 2.712 -4.101) 18.772 8.472 ( -0.211 -7.460 -9.324) 11.943 8.775 ( 3.603 -8.145 1.155) 8.981 8.905 ( 17.097 5.034 -3.840) 18.232 9.116 ( -0.412 -7.866 2.179) 8.173 9.204 ( 4.413 -5.805 -0.654) 7.322 9.337 ( -2.562 1.199 0.428) 2.861 9.532 ( -7.092 -2.485 1.927) 7.758 9.590 ( 6.991 0.601 1.503) 7.176 9.743 ( 9.064 -1.967 1.051) 9.334 9.857 ( -7.176 0.769 2.555) 7.656 10.053 ( 2.412 -0.556 2.836) 3.764 10.150 ( 4.720 -2.253 2.987) 6.023 10.193 ( 1.743 -4.701 1.439) 5.216 10.226 ( 4.717 6.247 1.844) 8.043 10.422 ( 1.955 1.120 -3.910) 4.513 10.513 ( 3.693 1.557 1.054) 4.144 10.715 ( -3.490 -6.785 0.617) 7.655 10.863 ( -13.738 2.808 -2.325) 14.214 10.934 ( -6.927 -7.353 -3.739) 10.772 11.184 ( -10.155 4.583 3.434) 11.658 11.358 ( 3.652 5.452 -3.471) 7.423 11.427 ( 1.954 -5.625 -2.572) 6.487 11.512 ( -0.965 -0.268 -1.953) 2.195 11.581 ( 8.199 1.654 -2.662) 8.778 11.803 ( -5.767 -0.319 5.623) 8.060 12.014 ( -1.192 -2.238 -5.816) 6.345 12.127 ( 3.989 0.292 -0.395) 4.019 12.168 ( 14.739 -2.296 -0.079) 14.917 12.382 ( -0.811 3.474 -1.615) 3.916 12.481 ( -0.221 -0.635 9.136) 9.161 12.714 ( 3.679 -2.169 4.596) 6.274 12.887 ( -3.743 -3.361 -1.447) 5.234 12.896 ( 15.281 1.602 2.834) 15.624 13.221 ( 2.112 2.579 -2.119) 3.950 13.276 ( -4.623 -1.170 -2.826) 5.543 13.378 ( 2.414 -3.326 -0.377) 4.127 13.393 ( 4.545 -3.224 -0.019) 5.572 13.473 ( -0.595 -6.640 -1.764) 6.896 13.765 ( 4.319 2.310 1.468) 5.113 13.930 ( 8.506 0.023 -4.378) 9.567 14.007 ( -13.926 1.918 2.944) 14.362 14.141 ( -7.018 11.978 -0.008) 13.883 14.382 ( 1.212 2.033 3.636) 4.338 14.413 ( -8.275 6.692 -2.848) 11.017 14.610 ( -2.831 -1.000 -4.484) 5.396 14.693 ( -11.684 1.829 5.514) 13.048 14.862 ( -29.689 0.238 0.109) 29.690 14.918 ( -8.782 0.097 -4.462) 9.851 15.473 ( 2.718 1.699 -3.267) 4.577 15.643 ( -0.931 3.644 -1.115) 3.923 15.793 ( 7.434 -2.828 3.633) 8.744 16.015 ( -6.211 -3.766 -2.235) 7.600 16.523 ( 1.167 1.241 -4.551) 4.860 16.616 ( 4.285 2.506 -1.969) 5.340 16.644 ( 4.280 -5.484 -3.854) 7.953 16.855 ( 0.078 -1.130 -0.600) 1.282 16.899 ( 4.642 4.725 1.615) 6.817 17.148 ( -8.340 -3.028 1.616) 9.019 17.331 ( -8.895 -0.816 10.029) 13.430 17.415 ( -5.543 1.264 9.690) 11.234 17.836 ( -3.524 1.938 -10.624) 11.360 18.012 ( -0.734 -0.814 -11.227) 11.280 18.196 ( -3.945 2.628 4.906) 6.822 18.333 ( -1.105 -1.963 3.868) 4.476 20.417 ( 4.233 2.602 4.308) 6.577 20.491 ( 4.835 -4.507 10.107) 12.077 20.616 ( 10.587 -0.833 2.312) 10.868 21.027 ( -11.387 -10.721 -12.693) 20.142 22.315 ( 1.921 10.404 0.991) 10.626 22.437 ( -5.412 18.732 -4.017) 19.907 23.063 ( 19.457 -9.087 -1.887) 21.557 23.972 ( -19.528 -14.372 3.616) 24.515 25.511 ( 0.066 2.741 -1.808) 3.285 25.554 ( 0.679 3.166 1.326) 3.499 25.653 ( 0.769 0.774 -1.889) 2.182 25.875 ( -3.815 -2.079 2.857) 5.200 ======================= Grid point 16 (12/84) ======================= q-point: ( 0.28 -0.03 -0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.766 ( 4.485 -1.487 5.497) 7.249 2.944 ( -4.181 1.886 7.934) 9.164 3.100 ( -9.044 -1.604 -10.416) 13.887 3.209 ( -7.442 0.725 1.288) 7.588 3.288 ( -0.460 0.556 -1.179) 1.382 3.575 ( 6.774 3.394 -9.194) 11.913 3.645 ( 1.601 8.486 3.366) 9.268 3.817 ( 3.821 9.057 -1.962) 10.024 4.224 ( -4.762 -3.019 5.948) 8.196 4.376 ( 5.274 -2.954 8.308) 10.275 4.483 ( 5.787 -9.083 -3.604) 11.357 4.651 ( -3.397 -5.763 -4.447) 8.032 6.769 ( -1.305 -5.874 10.434) 12.045 6.834 ( 2.930 -6.622 7.299) 10.282 7.139 ( -4.662 -9.869 -4.595) 11.843 7.526 ( 6.073 -2.626 -24.258) 25.144 8.113 ( 2.781 -0.552 2.917) 4.068 8.223 ( -7.820 1.689 -3.034) 8.556 8.454 ( -0.353 4.180 14.967) 15.543 8.515 ( -15.115 -2.188 1.011) 15.306 8.591 ( 11.589 3.960 -0.803) 12.273 8.782 ( -20.643 0.926 1.803) 20.742 8.954 ( 8.650 7.836 -4.824) 12.629 9.013 ( 20.540 5.030 -1.474) 21.198 9.234 ( 3.347 -5.046 -3.422) 6.955 9.297 ( -10.698 -5.399 -3.325) 12.435 9.489 ( -11.432 0.172 4.798) 12.399 9.677 ( 6.729 3.472 1.155) 7.659 9.765 ( 3.834 3.305 -1.078) 5.175 9.866 ( 4.790 3.520 -3.526) 6.911 10.093 ( -7.198 9.403 3.641) 12.389 10.131 ( 8.698 5.788 0.858) 10.483 10.211 ( 1.781 -0.034 4.288) 4.643 10.316 ( 12.708 2.104 -0.228) 12.883 10.504 ( -2.245 -2.786 0.177) 3.583 10.522 ( 8.347 -2.192 -0.031) 8.630 10.615 ( 2.079 -4.993 -0.394) 5.423 10.644 ( -16.735 -6.311 -1.884) 17.984 10.918 ( -6.469 -0.797 -0.537) 6.540 10.998 ( 4.679 -4.971 -3.917) 7.871 11.370 ( -1.696 2.350 8.185) 8.682 11.451 ( 3.669 7.028 3.533) 8.679 11.546 ( -4.078 -2.452 -3.404) 5.850 11.714 ( -2.690 4.355 -4.816) 7.028 11.855 ( -2.136 1.710 3.474) 4.423 12.010 ( -6.477 -4.241 -3.347) 8.434 12.154 ( 0.799 -4.395 1.392) 4.679 12.281 ( 3.086 1.106 4.850) 5.854 12.397 ( 0.155 1.135 -5.553) 5.670 12.506 ( -4.145 1.358 -6.017) 7.432 12.669 ( 12.908 5.296 1.780) 14.065 12.743 ( 1.222 7.941 -1.608) 8.194 13.128 ( 7.907 -2.989 7.251) 11.136 13.220 ( -6.822 2.482 5.356) 9.022 13.356 ( 4.493 1.544 -3.061) 5.652 13.456 ( -4.979 3.098 -2.936) 6.558 13.545 ( 3.866 -3.582 -0.922) 5.350 13.547 ( -18.081 -3.628 -0.303) 18.444 13.662 ( 2.224 2.122 3.171) 4.417 13.745 ( 5.812 1.819 -1.408) 6.251 14.102 ( 0.784 -4.954 -0.016) 5.016 14.106 ( 9.229 -7.583 0.290) 11.948 14.187 ( -2.249 1.158 3.281) 4.143 14.293 ( -6.505 -4.412 -1.693) 8.040 14.491 ( 11.333 -3.992 -2.695) 12.314 14.558 ( -10.358 -0.354 -6.077) 12.014 14.779 ( -8.185 0.565 2.985) 8.731 14.823 ( 1.150 0.402 0.116) 1.223 15.546 ( -4.480 -2.544 2.597) 5.769 15.621 ( 0.857 -1.849 -0.725) 2.163 15.853 ( 9.066 3.405 1.423) 9.788 15.968 ( -9.070 4.660 -3.872) 10.907 16.507 ( 2.330 -1.730 6.431) 7.055 16.707 ( -4.300 -1.200 0.150) 4.467 16.742 ( -3.745 5.100 4.884) 7.993 16.900 ( -0.870 3.039 -0.221) 3.168 16.945 ( 4.619 -1.954 0.000) 5.015 16.983 ( 2.319 -2.707 1.358) 3.815 17.179 ( 3.057 -2.106 -9.614) 10.306 17.374 ( -1.599 1.523 -12.854) 13.042 17.789 ( 0.872 -3.378 11.922) 12.422 18.020 ( -1.487 1.439 9.470) 9.693 18.140 ( 1.283 -2.049 -4.136) 4.791 18.330 ( -0.800 1.793 -4.567) 4.972 20.301 ( 8.494 -5.019 3.740) 10.551 20.474 ( 6.718 -1.648 -3.469) 7.739 20.796 ( 8.418 6.113 4.155) 11.202 21.039 ( -20.907 11.973 -6.181) 24.873 22.343 ( 3.622 -13.337 1.884) 13.948 22.381 ( -4.522 -16.203 0.525) 16.830 23.466 ( -19.522 12.687 1.592) 23.336 23.567 ( 19.910 12.040 -2.757) 23.430 25.511 ( -0.055 -5.016 1.016) 5.118 25.571 ( -0.840 -2.234 -2.241) 3.274 25.678 ( -1.601 0.367 3.652) 4.004 25.793 ( 3.846 1.722 -2.053) 4.687 ======================= Grid point 17 (13/84) ======================= q-point: (-0.23 -0.03 -0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.650 ( -9.734 4.257 -0.296) 10.628 2.885 ( -8.355 -4.821 -1.533) 9.767 3.030 ( -6.096 0.678 0.686) 6.172 3.132 ( -6.014 -2.333 4.280) 7.741 3.323 ( -9.037 -8.260 -2.281) 12.454 3.378 ( -0.844 -4.029 -2.982) 5.083 3.597 ( 8.518 1.255 1.848) 8.806 3.737 ( 7.418 0.822 7.469) 10.559 4.269 ( -4.032 -1.831 -8.933) 9.971 4.479 ( 3.192 5.897 -5.827) 8.883 4.539 ( -2.555 5.666 4.514) 7.681 4.790 ( 1.340 2.106 2.587) 3.595 6.822 ( -7.819 5.787 -8.531) 12.938 6.963 ( 2.955 3.818 -9.373) 10.543 7.384 ( -2.165 8.597 7.640) 11.703 7.529 ( -0.845 -2.157 18.733) 18.876 8.039 ( -19.851 2.866 0.299) 20.060 8.151 ( -13.566 -4.158 1.470) 14.265 8.220 ( -4.140 0.737 -9.760) 10.627 8.296 ( 3.826 -3.567 -0.981) 5.322 8.540 ( -15.422 2.871 3.546) 16.082 8.660 ( -4.408 -6.525 6.262) 10.061 8.842 ( -2.238 -2.797 -2.738) 4.509 8.882 ( -1.170 -7.924 -3.153) 8.608 9.202 ( -15.707 -4.452 -3.167) 16.630 9.330 ( -7.955 2.488 6.229) 10.406 9.518 ( 1.842 -1.395 -4.779) 5.308 9.569 ( -1.431 4.828 -0.371) 5.050 9.704 ( 4.960 3.442 4.761) 7.689 9.842 ( -0.474 -2.202 2.499) 3.364 9.931 ( -1.365 0.373 -3.276) 3.568 10.003 ( 3.037 0.047 -0.776) 3.135 10.161 ( -3.674 7.345 -3.447) 8.907 10.265 ( -5.575 -1.727 -6.367) 8.638 10.360 ( 7.353 4.650 -2.163) 8.965 10.636 ( -4.692 -2.525 3.571) 6.414 10.672 ( 0.798 -2.938 4.171) 5.164 10.825 ( -7.451 -3.436 -0.692) 8.234 11.058 ( 8.697 2.851 1.589) 9.289 11.104 ( 6.728 -3.320 -0.980) 7.567 11.208 ( -0.719 -0.466 -5.596) 5.662 11.464 ( 3.001 0.427 3.405) 4.558 11.624 ( 7.266 -0.143 1.844) 7.497 11.696 ( -5.566 -2.767 0.304) 6.223 11.815 ( -1.256 4.288 -1.023) 4.584 11.993 ( -10.877 -6.771 0.475) 12.821 12.130 ( -1.255 -1.858 -4.821) 5.317 12.243 ( -6.426 -2.853 0.860) 7.083 12.341 ( -7.023 1.195 4.268) 8.305 12.466 ( 7.416 4.187 9.238) 12.564 12.574 ( 6.010 1.249 -5.552) 8.277 12.720 ( 8.907 -0.741 1.202) 9.018 12.999 ( -11.858 1.070 -6.829) 13.726 13.118 ( -15.405 2.760 1.946) 15.770 13.243 ( -2.734 1.250 -4.307) 5.253 13.288 ( -6.287 -0.023 -1.476) 6.458 13.448 ( -1.126 -5.955 2.387) 6.514 13.479 ( 3.122 -2.448 2.536) 4.709 13.892 ( 1.608 -1.237 -1.879) 2.765 13.909 ( -2.840 0.348 -0.539) 2.912 13.989 ( 7.105 2.822 -1.579) 7.806 14.252 ( 3.536 1.024 7.001) 7.910 14.476 ( 12.414 4.987 -4.327) 14.061 14.488 ( 0.936 7.781 -1.900) 8.064 14.679 ( 5.352 -2.033 1.067) 5.824 14.768 ( 21.609 -2.053 5.513) 22.396 14.885 ( 13.719 -1.252 0.624) 13.790 14.960 ( 16.195 -3.902 -0.141) 16.659 15.583 ( -6.096 -3.134 -1.793) 7.085 15.642 ( -3.232 1.655 3.384) 4.964 15.756 ( 6.526 5.694 -1.644) 8.816 15.981 ( 6.004 -8.749 2.036) 10.805 16.493 ( -2.046 1.736 -4.513) 5.251 16.628 ( -6.416 -2.869 -2.429) 7.436 16.715 ( -4.658 -0.565 -3.809) 6.044 16.833 ( 3.300 -0.521 -3.006) 4.494 16.974 ( -3.579 0.412 2.521) 4.397 17.003 ( 5.644 1.955 2.419) 6.444 17.329 ( 5.483 4.771 10.656) 12.899 17.411 ( 8.666 -3.729 8.528) 12.717 17.890 ( 1.679 4.104 -13.164) 13.890 17.996 ( 2.196 -4.103 -9.319) 10.417 18.204 ( 1.759 3.311 4.318) 5.719 18.331 ( 3.573 -2.267 5.107) 6.632 20.210 ( -13.878 6.558 -4.108) 15.890 20.303 ( -13.914 4.542 -1.693) 14.734 20.721 ( 2.698 3.368 1.279) 4.501 21.014 ( 10.091 -17.427 4.161) 20.563 22.508 ( -8.004 12.812 -2.154) 15.259 22.908 ( -14.858 -13.503 2.687) 20.256 23.022 ( 13.567 20.170 -1.131) 24.335 23.460 ( 15.824 -18.591 0.592) 24.421 25.591 ( -1.893 -0.197 -0.909) 2.109 25.666 ( -0.311 0.518 1.901) 1.994 25.685 ( 2.079 4.965 -0.259) 5.389 25.718 ( 1.493 -1.683 -1.545) 2.729 ======================= Grid point 18 (14/84) ======================= q-point: ( 0.28 -0.03 -0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( -26.688 0.000 9.765) 28.419 2.121 ( -28.926 0.000 -3.685) 29.160 2.847 ( -2.386 0.000 0.594) 2.459 2.938 ( -23.511 0.000 14.691) 27.723 3.236 ( 4.475 0.000 7.480) 8.716 3.749 ( -1.228 -0.000 -0.573) 1.355 3.926 ( -1.774 -0.000 -6.575) 6.810 4.065 ( 8.647 -0.000 -7.421) 11.395 4.252 ( 1.695 -0.000 -4.842) 5.130 4.344 ( -3.824 -0.000 -7.264) 8.209 4.561 ( 2.827 0.000 3.952) 4.859 4.636 ( 6.039 -0.000 0.068) 6.040 6.609 ( -11.749 0.000 -4.197) 12.476 6.651 ( -3.796 0.000 7.299) 8.227 6.887 ( 4.234 0.000 9.548) 10.444 7.371 ( -19.619 -0.000 -9.539) 21.816 7.828 ( -17.942 0.000 10.284) 20.680 7.848 ( -9.715 0.000 5.402) 11.116 7.921 ( 3.015 -0.000 -19.117) 19.353 8.177 ( -26.464 0.000 1.128) 26.488 8.243 ( 5.361 -0.000 -2.435) 5.889 8.628 ( -17.376 0.000 -2.473) 17.551 8.854 ( -28.099 0.000 -0.871) 28.113 8.869 ( 13.954 0.000 14.335) 20.005 9.006 ( -23.941 0.000 -1.419) 23.983 9.341 ( 0.368 -0.000 -5.009) 5.023 9.577 ( -29.468 0.000 -8.921) 30.789 9.580 ( 3.903 0.000 2.769) 4.785 9.597 ( 8.817 0.000 7.180) 11.371 9.924 ( 1.193 0.000 1.122) 1.638 9.971 ( -10.367 -0.000 -4.237) 11.199 10.077 ( 12.387 -0.000 -6.169) 13.838 10.207 ( 13.196 -0.000 -0.581) 13.209 10.291 ( -0.061 -0.000 -3.202) 3.203 10.486 ( 4.238 -0.000 -2.131) 4.744 10.532 ( 8.021 0.000 3.930) 8.932 10.761 ( -12.664 0.000 5.425) 13.777 10.894 ( 1.788 0.000 0.892) 1.998 11.061 ( -4.008 0.000 2.395) 4.669 11.293 ( 1.601 -0.000 -6.852) 7.036 11.366 ( 13.214 -0.000 -1.289) 13.277 11.411 ( -8.630 0.000 3.596) 9.349 11.562 ( 2.017 0.000 5.635) 5.985 11.594 ( 6.524 -0.000 0.614) 6.553 11.746 ( -19.238 0.000 0.556) 19.246 11.977 ( 11.292 -0.000 0.353) 11.297 12.106 ( 1.940 -0.000 -0.731) 2.073 12.141 ( -0.599 0.000 1.705) 1.807 12.225 ( -21.898 0.000 -0.407) 21.901 12.396 ( 1.346 0.000 2.051) 2.453 12.497 ( 1.359 -0.000 -10.285) 10.375 12.888 ( 4.293 -0.000 -10.962) 11.773 12.978 ( 3.507 0.000 7.773) 8.527 13.188 ( 1.409 0.000 1.040) 1.751 13.321 ( -2.278 0.000 1.109) 2.534 13.337 ( -5.658 -0.000 -2.487) 6.181 13.487 ( -5.998 -0.000 -7.574) 9.661 13.509 ( 6.963 0.000 4.481) 8.280 13.724 ( -3.885 0.000 4.212) 5.730 13.925 ( -0.822 0.000 7.794) 7.837 13.942 ( 7.656 -0.000 -1.351) 7.774 14.264 ( -5.652 0.000 -2.219) 6.072 14.266 ( 11.947 -0.000 -8.583) 14.710 14.565 ( -0.290 0.000 7.830) 7.835 14.605 ( 10.477 -0.000 3.625) 11.086 14.916 ( 7.896 0.000 4.466) 9.071 15.216 ( 19.707 -0.000 2.880) 19.917 15.416 ( -1.484 0.000 4.867) 5.089 15.527 ( 20.701 -0.000 -2.125) 20.809 15.631 ( 10.631 0.000 4.349) 11.486 15.681 ( -5.370 -0.000 -3.658) 6.497 16.117 ( -0.040 0.000 3.292) 3.292 16.490 ( -4.095 0.000 1.204) 4.269 16.515 ( 2.307 0.000 2.495) 3.399 16.682 ( -1.731 0.000 -0.383) 1.772 16.730 ( -3.366 0.000 1.988) 3.909 16.941 ( 7.367 -0.000 2.194) 7.687 17.375 ( 8.499 -0.000 -2.482) 8.854 17.400 ( 2.581 -0.000 -14.081) 14.316 17.619 ( 10.845 -0.000 -3.166) 11.298 17.925 ( 5.802 0.000 10.054) 11.608 18.037 ( 1.508 0.000 10.863) 10.968 18.262 ( 5.210 -0.000 -4.855) 7.122 18.388 ( 2.243 -0.000 -3.435) 4.102 19.999 ( -26.804 0.000 -3.663) 27.053 20.516 ( -4.409 -0.000 -26.963) 27.321 20.569 ( 5.202 -0.000 0.223) 5.206 21.506 ( 16.575 0.000 24.457) 29.545 22.119 ( -2.120 -0.000 -1.629) 2.673 22.311 ( 2.996 0.000 3.330) 4.480 22.741 ( -19.348 0.000 2.431) 19.500 24.541 ( 18.853 -0.000 -4.925) 19.485 25.495 ( -0.548 -0.000 -2.750) 2.804 25.502 ( 1.337 0.000 3.708) 3.942 25.620 ( -1.034 0.000 2.184) 2.417 25.959 ( 1.841 -0.000 -3.777) 4.202 ======================= Grid point 19 (15/84) ======================= q-point: (-0.23 -0.03 -0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( -19.872 -18.934 -1.994) 27.521 2.139 ( -17.234 -20.182 -8.851) 27.976 2.585 ( -3.381 8.213 9.251) 12.825 2.965 ( -6.813 14.197 5.507) 16.682 3.013 ( -15.743 -19.615 -10.105) 27.106 3.316 ( 0.100 8.400 -10.310) 13.300 3.746 ( 1.962 7.230 0.171) 7.494 3.893 ( 3.146 4.011 -0.091) 5.098 4.243 ( -5.060 1.249 8.832) 10.255 4.431 ( -0.876 0.509 11.425) 11.470 4.678 ( -3.048 3.015 -5.990) 7.366 4.720 ( -2.021 -1.044 -1.482) 2.715 6.616 ( -13.485 -3.333 -5.523) 14.949 6.894 ( -0.256 -9.910 3.690) 10.578 6.965 ( -1.096 -3.073 -6.491) 7.265 7.124 ( -15.024 5.053 1.783) 15.951 7.436 ( -12.309 -1.291 3.361) 12.824 7.634 ( -5.771 1.530 0.911) 6.040 7.793 ( -10.904 -7.444 -6.354) 14.652 7.956 ( -13.683 0.270 4.160) 14.304 8.154 ( -17.778 1.238 5.206) 18.566 8.247 ( -12.699 6.451 6.905) 15.829 8.501 ( -9.669 -3.895 -6.232) 12.145 8.744 ( -19.861 1.166 -0.376) 19.899 8.827 ( 5.186 2.995 -4.836) 7.697 8.990 ( -2.309 2.266 6.879) 7.602 9.172 ( -5.836 -5.132 5.481) 9.510 9.324 ( 1.338 8.791 0.428) 8.903 9.756 ( -6.681 -0.340 -3.486) 7.543 9.813 ( 0.354 2.466 -2.668) 3.650 9.838 ( 2.642 0.520 -11.263) 11.580 10.189 ( 2.576 2.717 6.452) 7.460 10.339 ( 3.034 -3.346 -0.407) 4.535 10.425 ( 6.273 1.326 1.644) 6.619 10.575 ( 10.900 3.709 -0.420) 11.521 10.744 ( 5.189 3.449 -7.779) 9.967 10.791 ( 3.023 -6.058 11.315) 13.187 10.911 ( 6.037 3.822 2.388) 7.533 11.060 ( -7.883 -7.988 -4.752) 12.187 11.159 ( -1.680 -4.532 -2.216) 5.317 11.197 ( -7.809 3.163 -2.098) 8.683 11.328 ( -9.101 7.586 -2.174) 12.045 11.387 ( -1.597 0.996 -0.147) 1.888 11.448 ( 2.403 3.789 5.659) 7.222 11.766 ( -4.059 -8.831 -0.111) 9.720 11.821 ( -3.934 -0.749 -4.818) 6.265 12.083 ( -4.188 1.095 -3.511) 5.574 12.169 ( 7.455 3.172 -3.262) 8.734 12.386 ( -1.850 -2.289 9.539) 9.982 12.437 ( 2.512 5.324 3.115) 6.660 12.598 ( -0.219 -3.236 3.906) 5.077 12.807 ( -5.351 9.099 5.109) 11.727 13.029 ( 6.472 0.974 -0.198) 6.548 13.077 ( 1.992 1.150 4.092) 4.694 13.205 ( -1.530 -0.445 -4.791) 5.049 13.377 ( 2.383 -2.710 -0.369) 3.627 13.461 ( -2.161 -2.659 1.806) 3.873 13.530 ( 3.893 3.251 -2.799) 5.793 13.666 ( 1.948 -1.090 -5.873) 6.283 13.826 ( 1.618 -1.234 -0.455) 2.085 14.165 ( -3.906 -0.708 -3.187) 5.090 14.350 ( 4.500 -1.771 2.504) 5.446 14.635 ( 2.167 -0.104 -1.272) 2.515 14.701 ( 4.876 -6.653 6.557) 10.537 14.967 ( 5.382 -2.242 -5.210) 7.819 15.082 ( 4.703 -2.716 1.966) 5.775 15.356 ( -1.620 1.747 -5.964) 6.422 15.521 ( 0.100 -0.390 4.658) 4.676 15.707 ( 14.558 -3.760 -5.601) 16.045 15.907 ( 1.933 -11.758 -4.660) 12.794 16.052 ( 17.809 0.749 6.457) 18.958 16.122 ( 6.966 3.985 -1.544) 8.173 16.465 ( -2.516 0.013 -4.202) 4.897 16.562 ( 5.027 2.473 -1.785) 5.880 16.646 ( 7.504 -3.437 -0.005) 8.254 16.712 ( -3.876 -0.101 2.599) 4.668 17.153 ( 11.623 -0.028 -1.998) 11.794 17.364 ( 7.394 1.575 7.098) 10.370 17.666 ( 6.940 0.343 2.391) 7.348 17.719 ( 7.148 -1.410 4.867) 8.762 18.005 ( 2.269 -0.936 -9.342) 9.659 18.152 ( 7.204 0.506 -8.152) 10.891 18.379 ( 2.662 0.988 3.707) 4.669 18.456 ( 3.335 -1.502 3.500) 5.063 19.467 ( -23.626 -0.152 -2.028) 23.714 19.798 ( -22.502 13.703 10.162) 28.238 20.935 ( 3.542 -12.630 3.189) 13.500 21.028 ( 1.689 14.346 -8.062) 16.543 22.305 ( -8.911 2.103 -1.590) 9.293 22.334 ( -4.001 -1.562 1.768) 4.645 23.509 ( 20.907 -26.109 -7.652) 34.312 24.311 ( 16.316 19.818 9.134) 27.247 25.524 ( 0.551 -0.384 -4.888) 4.934 25.611 ( -0.547 -2.894 0.498) 2.987 25.695 ( -1.105 -1.928 -0.446) 2.266 25.846 ( -3.284 4.181 2.634) 5.933 ======================= Grid point 20 (16/84) ======================= q-point: ( 0.28 -0.03 -0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( -17.902 20.316 15.538) 31.219 1.282 ( -18.143 24.606 18.160) 35.558 1.909 ( -28.902 31.553 27.205) 50.705 2.787 ( 1.905 -7.297 -8.275) 11.196 3.159 ( -3.717 -11.378 -7.737) 14.253 3.520 ( -0.880 -8.372 3.372) 9.069 3.836 ( -1.017 -1.022 -10.497) 10.596 4.090 ( -4.905 -1.367 -7.546) 9.103 4.221 ( 4.563 -8.517 0.707) 9.688 4.365 ( 0.348 3.486 -2.049) 4.058 4.581 ( -5.651 -1.128 6.770) 8.890 4.782 ( 2.259 -2.230 -6.856) 7.555 6.187 ( -7.322 6.831 4.129) 10.832 6.701 ( 2.040 11.084 7.610) 13.598 6.842 ( -7.615 3.755 -12.352) 14.989 7.099 ( 1.961 -2.481 -4.393) 5.413 7.330 ( -8.430 -6.703 2.696) 11.103 7.429 ( -7.268 0.948 -3.318) 8.046 7.579 ( -3.322 2.593 6.182) 7.482 7.714 ( -7.476 0.195 -3.597) 8.298 7.855 ( -9.574 0.685 -1.875) 9.780 8.083 ( -8.737 0.465 6.152) 10.696 8.271 ( -9.453 -4.436 6.530) 12.315 8.379 ( -16.689 -3.512 1.327) 17.106 8.793 ( 5.488 9.166 -14.048) 17.649 8.971 ( -1.503 0.880 -3.491) 3.901 9.234 ( -0.870 -6.365 0.054) 6.424 9.537 ( -0.076 -1.626 6.913) 7.102 9.793 ( 2.443 -8.566 4.550) 10.002 9.883 ( 1.294 -1.278 11.559) 11.701 9.921 ( 0.882 -4.786 5.187) 7.113 10.259 ( 0.616 -1.215 -10.873) 10.958 10.354 ( 6.339 6.769 -7.179) 11.727 10.587 ( 1.254 -0.104 -0.695) 1.438 10.644 ( -0.220 -0.643 -0.536) 0.866 10.741 ( -0.117 3.498 -11.511) 12.032 10.806 ( 6.455 1.354 1.371) 6.737 10.907 ( -2.428 -4.400 11.033) 12.123 10.996 ( -1.203 1.947 1.016) 2.504 11.056 ( -0.830 -0.906 1.206) 1.722 11.113 ( -6.498 -0.805 3.401) 7.378 11.264 ( -6.458 -2.572 0.295) 6.958 11.506 ( -3.587 -0.328 0.528) 3.641 11.541 ( 0.905 -4.098 2.481) 4.876 11.608 ( -0.737 -0.914 -0.651) 1.342 11.772 ( 1.248 -2.972 0.641) 3.286 11.960 ( -5.745 1.461 0.744) 5.975 12.203 ( 1.036 7.088 -3.168) 7.833 12.420 ( 4.089 8.335 -6.508) 11.338 12.470 ( 2.836 -4.159 -6.096) 7.905 12.658 ( 3.112 -0.605 -14.238) 14.586 12.892 ( -7.865 -9.836 -7.099) 14.457 13.041 ( 0.485 2.296 -7.823) 8.167 13.212 ( -0.213 -2.574 0.562) 2.643 13.217 ( 4.048 -1.380 5.593) 7.040 13.313 ( 0.727 2.562 10.499) 10.831 13.390 ( 0.838 2.130 -4.093) 4.689 13.603 ( -0.900 -3.515 3.271) 4.885 13.797 ( 5.307 -1.207 4.289) 6.929 13.841 ( -0.458 -1.764 1.535) 2.383 14.083 ( -0.263 0.147 14.419) 14.422 14.370 ( 4.193 4.368 -4.764) 7.704 14.557 ( -0.666 6.536 -1.411) 6.720 14.650 ( 0.870 4.237 -0.923) 4.423 14.978 ( 3.662 5.005 -7.048) 9.388 15.071 ( -0.579 2.877 -1.233) 3.183 15.471 ( 7.371 -5.008 11.921) 14.883 15.545 ( -0.037 -1.274 -0.733) 1.471 15.647 ( -1.100 6.587 3.242) 7.424 15.954 ( 12.176 3.575 12.846) 18.057 16.133 ( 5.237 6.710 6.567) 10.751 16.358 ( 0.026 -2.651 -3.197) 4.153 16.490 ( 7.378 0.956 -4.845) 8.878 16.642 ( -1.237 0.741 -0.723) 1.613 16.741 ( 5.175 -1.375 4.503) 6.996 16.749 ( 8.523 4.895 -2.277) 10.089 17.405 ( 11.011 0.244 -1.550) 11.123 17.522 ( 5.265 -0.409 -6.473) 8.354 17.733 ( 9.342 2.533 4.410) 10.636 17.907 ( 6.226 -1.523 0.663) 6.444 18.033 ( 0.333 -1.525 9.741) 9.865 18.250 ( 5.209 5.146 6.409) 9.731 18.430 ( 1.346 -1.800 -5.921) 6.334 18.498 ( 2.377 0.747 -2.149) 3.290 19.013 ( -18.405 -0.567 1.516) 18.476 19.527 ( -40.979 -17.947 -24.966) 51.232 20.807 ( 2.351 5.720 -5.307) 8.149 21.443 ( 1.516 -24.591 16.755) 29.795 22.150 ( -6.772 0.725 2.898) 7.401 22.301 ( 0.227 -0.899 -3.094) 3.230 23.437 ( 38.795 37.979 9.092) 55.046 24.854 ( -1.093 -11.024 -14.486) 18.236 25.528 ( -0.704 2.376 -1.159) 2.736 25.576 ( 1.655 -1.507 4.392) 4.929 25.669 ( 2.344 -1.193 4.825) 5.495 25.802 ( -8.088 -5.402 -0.388) 9.734 ======================= Grid point 21 (17/84) ======================= q-point: (-0.45 -0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( -0.000 -21.521 -20.220) 29.530 1.989 ( -0.000 -21.564 -22.256) 30.989 2.312 ( 0.000 17.365 14.614) 22.696 2.478 ( 0.000 21.816 16.180) 27.161 2.834 ( -0.000 -29.948 -19.168) 35.557 3.354 ( 0.000 17.651 2.498) 17.827 3.629 ( 0.000 -8.683 14.158) 16.609 3.860 ( -0.000 12.221 -5.468) 13.389 4.090 ( 0.000 -9.919 14.204) 17.325 4.351 ( -0.000 12.248 -6.222) 13.738 4.603 ( -0.000 -2.597 -5.363) 5.959 4.638 ( 0.000 1.790 5.313) 5.607 6.378 ( -0.000 -13.160 -3.012) 13.500 6.554 ( 0.000 -0.955 12.960) 12.995 6.926 ( 0.000 1.498 6.567) 6.736 7.022 ( -0.000 7.064 -2.630) 7.538 7.283 ( -0.000 -14.959 -13.020) 19.832 7.376 ( -0.000 -5.997 1.042) 6.087 7.599 ( -0.000 2.314 -1.332) 2.669 7.651 ( 0.000 10.714 5.480) 12.034 7.726 ( -0.000 -2.071 -6.196) 6.533 7.874 ( 0.000 10.309 4.930) 11.427 8.177 ( -0.000 1.974 -3.489) 4.008 8.207 ( -0.000 2.729 -2.775) 3.892 8.940 ( -0.000 -18.573 2.498) 18.740 9.054 ( -0.000 -3.618 -2.958) 4.674 9.148 ( 0.000 3.731 3.234) 4.938 9.385 ( 0.000 20.393 0.769) 20.407 9.720 ( -0.000 -8.314 1.848) 8.517 9.903 ( -0.000 7.939 -8.757) 11.820 10.147 ( -0.000 -2.689 -2.813) 3.892 10.272 ( 0.000 9.288 10.415) 13.955 10.321 ( -0.000 -4.106 -18.148) 18.607 10.377 ( 0.000 1.864 17.818) 17.915 10.739 ( -0.000 -15.004 0.958) 15.034 10.741 ( 0.000 -9.555 5.084) 10.823 10.899 ( -0.000 3.464 -4.502) 5.680 10.947 ( -0.000 -0.542 -0.848) 1.007 11.007 ( 0.000 8.976 0.234) 8.979 11.010 ( -0.000 7.463 -2.723) 7.945 11.139 ( -0.000 -3.703 -8.901) 9.641 11.201 ( 0.000 -1.630 3.689) 4.033 11.308 ( 0.000 4.205 7.873) 8.925 11.427 ( -0.000 9.981 -5.837) 11.563 11.830 ( -0.000 -4.588 -2.116) 5.053 11.876 ( 0.000 0.662 1.927) 2.038 11.880 ( -0.000 -11.067 -8.165) 13.753 12.122 ( 0.000 10.808 11.568) 15.832 12.376 ( -0.000 -9.282 -0.389) 9.290 12.474 ( 0.000 -6.292 4.084) 7.501 12.484 ( 0.000 1.818 7.191) 7.417 12.613 ( 0.000 6.608 -2.007) 6.906 13.026 ( 0.000 -5.593 3.809) 6.766 13.134 ( -0.000 4.482 -1.825) 4.839 13.334 ( 0.000 -1.278 5.984) 6.119 13.358 ( -0.000 0.738 -7.574) 7.609 13.513 ( -0.000 1.672 -6.883) 7.083 13.526 ( 0.000 3.400 2.500) 4.220 13.821 ( 0.000 -3.515 4.059) 5.369 13.909 ( -0.000 4.787 -7.144) 8.600 14.328 ( 0.000 -3.755 11.724) 12.311 14.384 ( -0.000 1.186 -11.750) 11.810 14.651 ( -0.000 -3.706 0.749) 3.781 14.672 ( 0.000 -1.516 1.140) 1.897 15.040 ( -0.000 -6.427 1.697) 6.647 15.092 ( -0.000 -2.711 -0.444) 2.747 15.395 ( 0.000 0.752 6.449) 6.492 15.523 ( -0.000 11.546 -9.003) 14.641 15.938 ( -0.000 -13.040 -4.488) 13.790 16.168 ( 0.000 8.296 4.226) 9.310 16.378 ( -0.000 -0.877 -10.414) 10.451 16.410 ( 0.000 1.938 7.857) 8.093 16.461 ( -0.000 -2.934 -9.897) 10.323 16.525 ( 0.000 2.808 10.159) 10.540 16.799 ( 0.000 -4.613 9.852) 10.879 16.881 ( -0.000 3.064 -9.932) 10.394 17.495 ( 0.000 -5.233 5.573) 7.644 17.587 ( -0.000 3.438 -5.144) 6.187 18.026 ( 0.000 -1.465 2.354) 2.773 18.067 ( -0.000 2.483 -4.408) 5.059 18.180 ( -0.000 -0.145 -9.177) 9.178 18.209 ( 0.000 2.514 7.937) 8.326 18.491 ( -0.000 -1.455 -2.175) 2.617 18.504 ( 0.000 -0.488 2.467) 2.515 18.723 ( 0.000 -2.726 2.788) 3.899 18.784 ( -0.000 2.863 -2.780) 3.990 20.883 ( 0.000 -12.477 8.407) 15.045 21.201 ( -0.000 18.238 -7.691) 19.794 22.166 ( -0.000 -1.714 -2.552) 3.074 22.204 ( 0.000 1.825 3.118) 3.613 24.335 ( 0.000 -14.716 8.697) 17.094 24.555 ( -0.000 7.080 -5.315) 8.853 25.546 ( -0.000 -3.305 0.813) 3.404 25.606 ( 0.000 -1.059 1.174) 1.581 25.620 ( 0.000 4.061 -1.065) 4.198 25.672 ( -0.000 5.303 -3.224) 6.207 ======================= Grid point 22 (18/84) ======================= q-point: ( 0.05 -0.05 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( 23.836 24.451 -0.000) 34.147 1.046 ( 27.123 22.903 -0.000) 35.499 1.638 ( 30.665 42.500 -0.000) 52.408 2.872 ( -1.957 -5.671 0.000) 5.999 3.239 ( -0.671 -8.698 0.000) 8.724 3.467 ( 1.883 -12.397 0.000) 12.539 3.941 ( -1.159 -1.341 0.000) 1.773 4.176 ( 7.230 0.546 -0.000) 7.250 4.187 ( -6.780 -13.518 0.000) 15.123 4.421 ( 2.167 7.357 -0.000) 7.669 4.492 ( 6.733 -1.322 0.000) 6.861 4.846 ( -3.696 -4.269 0.000) 5.647 6.126 ( 10.268 8.843 -0.000) 13.551 6.605 ( -1.201 11.845 -0.000) 11.906 6.964 ( 11.337 0.145 -0.000) 11.338 7.221 ( -13.694 -5.500 0.000) 14.757 7.289 ( 7.282 -9.271 0.000) 11.789 7.455 ( 0.880 6.631 -0.000) 6.689 7.467 ( 3.576 3.726 -0.000) 5.164 7.751 ( 10.101 0.655 -0.000) 10.122 7.919 ( 12.888 0.684 -0.000) 12.906 8.075 ( 15.777 6.034 -0.000) 16.891 8.110 ( 12.120 -4.397 0.000) 12.893 8.380 ( 16.822 -4.763 0.000) 17.483 8.980 ( 0.081 1.251 -0.000) 1.254 9.004 ( -10.985 2.871 -0.000) 11.354 9.281 ( 7.928 1.532 -0.000) 8.075 9.395 ( -3.657 -4.934 0.000) 6.141 9.684 ( -1.093 3.764 -0.000) 3.920 9.820 ( -2.413 -14.571 0.000) 14.769 9.874 ( 0.501 -5.509 0.000) 5.532 10.416 ( -6.696 2.396 -0.000) 7.112 10.428 ( -3.833 -1.305 0.000) 4.049 10.554 ( 4.789 8.598 -0.000) 9.842 10.634 ( -4.320 -1.382 0.000) 4.536 10.747 ( 1.438 -8.986 0.000) 9.101 10.810 ( -5.809 0.916 -0.000) 5.881 10.916 ( 2.691 -1.784 0.000) 3.229 10.970 ( -0.644 8.943 -0.000) 8.966 11.052 ( -3.386 3.647 -0.000) 4.977 11.065 ( 8.254 -0.859 0.000) 8.299 11.261 ( 10.973 -9.939 0.000) 14.805 11.502 ( 5.168 6.572 -0.000) 8.360 11.514 ( -1.574 -7.267 0.000) 7.436 11.612 ( 2.085 -1.186 0.000) 2.399 11.764 ( -2.898 -7.353 0.000) 7.904 11.954 ( 4.785 0.979 -0.000) 4.884 12.232 ( -0.954 6.381 -0.000) 6.452 12.496 ( -8.733 7.445 -0.000) 11.476 12.527 ( -4.391 -4.055 0.000) 5.977 12.870 ( -4.254 -8.386 0.000) 9.403 13.025 ( 5.462 -11.996 0.000) 13.181 13.028 ( -3.899 3.742 -0.000) 5.404 13.145 ( 0.988 0.191 -0.000) 1.006 13.230 ( -0.439 -3.820 0.000) 3.845 13.234 ( 3.233 3.073 -0.000) 4.460 13.455 ( -3.951 4.066 -0.000) 5.669 13.566 ( 0.673 -2.034 0.000) 2.143 13.669 ( -2.728 0.535 -0.000) 2.780 13.840 ( -2.762 -0.627 0.000) 2.832 13.925 ( 8.497 2.620 -0.000) 8.892 14.406 ( -4.364 4.270 -0.000) 6.105 14.550 ( 0.493 4.559 -0.000) 4.585 14.686 ( -0.683 8.674 -0.000) 8.700 15.035 ( -6.893 0.551 -0.000) 6.915 15.190 ( -12.223 7.577 -0.000) 14.381 15.222 ( 3.587 -1.648 0.000) 3.948 15.593 ( 0.081 -1.989 0.000) 1.991 15.610 ( 0.389 10.475 -0.000) 10.483 15.807 ( -8.143 2.816 -0.000) 8.617 16.069 ( -2.958 6.717 -0.000) 7.340 16.389 ( 1.334 -1.340 0.000) 1.891 16.548 ( -12.333 -1.204 0.000) 12.391 16.636 ( 3.056 -0.167 0.000) 3.060 16.701 ( -4.946 -1.373 0.000) 5.133 16.781 ( -17.296 11.706 -0.000) 20.885 17.411 ( -12.327 -0.694 0.000) 12.346 17.600 ( -3.416 -1.262 0.000) 3.641 17.706 ( -0.846 4.104 -0.000) 4.190 17.873 ( -4.600 -3.700 0.000) 5.903 17.943 ( -2.842 1.629 -0.000) 3.276 18.182 ( -6.462 6.087 -0.000) 8.877 18.500 ( -1.753 -1.037 0.000) 2.037 18.502 ( -1.745 -0.054 0.000) 1.746 18.999 ( 18.594 -0.746 0.000) 18.609 19.874 ( 46.160 -44.673 0.000) 64.237 20.856 ( -2.964 5.366 -0.000) 6.130 21.179 ( -1.394 -8.863 0.000) 8.972 22.122 ( 7.090 1.267 -0.000) 7.202 22.332 ( -0.089 -1.576 0.000) 1.579 23.335 ( -44.873 47.854 -0.000) 65.602 25.075 ( -5.876 -20.334 0.000) 21.166 25.454 ( -0.087 1.049 -0.000) 1.053 25.548 ( 0.218 1.288 -0.000) 1.307 25.626 ( 1.169 2.333 -0.000) 2.610 25.805 ( 11.349 -4.715 0.000) 12.289 ======================= Grid point 23 (19/84) ======================= q-point: (-0.45 -0.05 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( 17.857 -10.034 -15.140) 25.472 1.978 ( 18.393 -14.332 -17.859) 29.371 2.670 ( 5.871 8.829 1.717) 10.741 2.933 ( 19.327 -12.339 -17.679) 28.954 3.168 ( 8.525 11.230 5.841) 15.261 3.501 ( 2.847 6.508 9.162) 11.593 3.747 ( 2.588 -0.182 3.417) 4.290 3.980 ( 0.023 0.373 8.297) 8.305 4.119 ( -2.875 5.838 2.728) 7.056 4.329 ( -2.444 -1.870 -0.458) 3.111 4.604 ( 2.703 -2.805 8.757) 9.584 4.747 ( -1.288 -1.599 -2.585) 3.302 6.366 ( 10.344 -11.184 7.783) 17.107 6.746 ( 12.944 -2.050 1.552) 13.197 6.972 ( 6.023 -10.827 -5.241) 13.453 7.182 ( 0.906 1.451 -10.371) 10.512 7.565 ( 9.249 9.466 0.632) 13.250 7.653 ( 6.628 4.247 6.433) 10.166 7.779 ( 12.192 -4.670 -4.873) 13.935 7.870 ( 15.016 -3.537 -3.806) 15.890 8.061 ( 12.939 -1.892 3.063) 13.431 8.237 ( 10.398 4.211 4.057) 11.930 8.571 ( 5.585 -9.422 1.815) 11.102 8.636 ( 14.406 0.765 -6.759) 15.931 8.875 ( 20.481 -0.890 0.007) 20.500 8.953 ( 4.856 3.429 5.059) 7.806 9.230 ( -2.875 15.480 -2.770) 15.986 9.620 ( 1.041 7.985 -0.909) 8.104 9.823 ( -7.411 0.626 -4.368) 8.625 9.925 ( -3.337 2.889 -0.590) 4.453 10.043 ( -3.868 -4.880 -5.633) 8.397 10.098 ( 0.194 3.665 4.908) 6.129 10.193 ( 0.240 -1.806 1.317) 2.248 10.388 ( 0.210 -3.069 9.050) 9.558 10.442 ( -5.052 -4.178 8.417) 10.669 10.596 ( -6.285 -0.951 1.821) 6.612 10.862 ( -4.487 -4.795 -2.208) 6.929 10.951 ( 2.726 3.703 0.219) 4.603 11.018 ( -5.223 1.385 -3.060) 6.210 11.189 ( 3.419 2.176 -5.312) 6.682 11.309 ( 4.421 1.279 -3.280) 5.651 11.381 ( 5.759 3.867 4.152) 8.084 11.538 ( 2.897 8.621 1.731) 9.259 11.589 ( 3.083 -5.795 -2.520) 7.031 11.635 ( 1.439 7.823 -5.000) 9.395 11.875 ( 6.221 -3.652 -3.263) 7.917 12.073 ( 0.043 -5.908 6.014) 8.430 12.111 ( 4.210 -3.184 0.004) 5.279 12.334 ( -4.552 -1.228 3.525) 5.887 12.351 ( 0.955 1.177 5.711) 5.909 12.406 ( 1.166 -2.533 -1.427) 3.133 12.876 ( -0.880 -0.690 5.749) 5.857 12.953 ( 5.141 4.896 5.531) 9.000 13.132 ( -3.549 3.054 0.645) 4.726 13.301 ( -4.764 -1.018 -6.364) 8.014 13.349 ( -2.030 0.861 -0.636) 2.295 13.388 ( -0.822 -2.046 -0.664) 2.303 13.651 ( 1.599 2.514 2.440) 3.851 13.756 ( -3.698 -1.560 -7.613) 8.607 13.840 ( -1.171 5.576 0.860) 5.763 14.148 ( -1.515 -5.392 5.689) 7.984 14.303 ( -2.655 0.376 -8.523) 8.934 14.436 ( -5.446 -7.721 3.189) 9.972 14.681 ( -1.478 -1.845 0.205) 2.373 14.816 ( -2.682 -7.054 0.798) 7.589 15.127 ( -0.502 -0.221 -4.289) 4.324 15.458 ( 0.568 3.140 1.591) 3.566 15.617 ( -4.604 4.912 -9.163) 11.370 15.740 ( -1.776 -6.003 -5.761) 8.507 15.825 ( -18.188 -4.167 -9.296) 20.846 15.970 ( -14.591 2.605 5.558) 15.830 16.214 ( -6.116 -0.033 -3.753) 7.176 16.430 ( 3.199 -3.170 2.599) 5.200 16.612 ( -1.891 2.023 4.089) 4.939 16.690 ( -8.187 2.088 -5.723) 10.205 16.721 ( 3.054 0.710 -2.691) 4.132 17.186 ( -8.126 -0.312 0.350) 8.140 17.291 ( -9.407 1.494 0.647) 9.547 17.543 ( -9.955 -3.079 2.373) 10.687 17.784 ( -8.462 3.289 -3.510) 9.734 18.142 ( -4.295 0.910 -2.713) 5.161 18.250 ( -2.830 0.310 6.206) 6.828 18.287 ( -4.158 -1.771 -5.097) 6.812 18.381 ( -2.887 -1.239 1.530) 3.494 19.473 ( 21.967 -1.238 -0.834) 22.017 19.721 ( 21.380 4.771 18.959) 28.971 20.658 ( -1.304 -6.501 5.276) 8.473 21.600 ( -3.225 23.510 -7.722) 24.955 22.234 ( 0.350 -2.551 2.732) 3.754 22.417 ( 12.923 2.520 -3.131) 13.534 23.076 ( -21.202 -28.601 -11.290) 37.349 24.545 ( -11.285 15.184 6.044) 19.860 25.526 ( 0.667 -5.352 0.726) 5.442 25.619 ( 0.408 0.786 -1.999) 2.187 25.666 ( -4.043 -0.468 -2.640) 4.851 25.847 ( 2.085 2.240 4.704) 5.612 ======================= Grid point 24 (20/84) ======================= q-point: ( 0.05 -0.05 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.351 ( 18.411 14.730 -0.000) 23.579 2.525 ( 22.193 11.152 -0.000) 24.837 2.731 ( 3.959 -1.869 0.000) 4.378 3.056 ( 1.704 -1.680 0.000) 2.393 3.200 ( 8.644 8.990 -0.000) 12.471 3.246 ( 4.435 -14.981 0.000) 15.623 3.718 ( 2.077 -4.688 0.000) 5.128 3.825 ( -4.857 -2.828 0.000) 5.620 4.440 ( -9.182 -6.347 0.000) 11.162 4.473 ( -0.143 1.675 -0.000) 1.681 4.591 ( 2.872 0.406 -0.000) 2.900 4.782 ( 3.197 1.909 -0.000) 3.723 6.736 ( 3.295 -5.190 0.000) 6.148 6.862 ( 1.020 7.783 -0.000) 7.850 7.128 ( 14.150 20.983 -0.000) 25.309 7.517 ( 16.017 -9.935 0.000) 18.848 7.734 ( 13.417 -2.978 0.000) 13.744 7.859 ( 9.883 9.356 -0.000) 13.609 7.943 ( 15.983 3.210 -0.000) 16.302 8.289 ( 9.154 -5.191 0.000) 10.524 8.450 ( -8.207 0.409 -0.000) 8.218 8.524 ( 9.077 -0.043 -0.000) 9.077 8.612 ( 5.587 1.535 -0.000) 5.794 8.646 ( 20.129 -1.535 0.000) 20.188 9.057 ( -5.323 -13.774 0.000) 14.767 9.245 ( 14.612 -0.206 0.000) 14.613 9.346 ( 16.296 -3.613 0.000) 16.692 9.527 ( 10.004 9.266 -0.000) 13.636 9.663 ( -3.729 -4.641 0.000) 5.953 9.868 ( 6.685 -3.940 0.000) 7.760 9.925 ( 12.453 5.249 -0.000) 13.514 10.077 ( -7.341 -7.122 0.000) 10.228 10.339 ( 1.365 -5.842 0.000) 5.999 10.346 ( -13.147 -4.099 0.000) 13.771 10.365 ( 1.448 7.128 -0.000) 7.273 10.542 ( -4.440 -3.911 0.000) 5.917 10.617 ( -17.562 5.434 -0.000) 18.384 10.917 ( -1.308 -0.538 0.000) 1.414 11.131 ( 5.240 -7.358 0.000) 9.033 11.178 ( -0.604 5.054 -0.000) 5.090 11.315 ( -7.248 -2.755 0.000) 7.754 11.380 ( 11.213 1.098 -0.000) 11.266 11.422 ( -0.147 2.911 -0.000) 2.915 11.597 ( 14.655 -5.636 0.000) 15.702 11.804 ( -5.232 10.036 -0.000) 11.318 11.914 ( 9.285 6.086 -0.000) 11.102 11.959 ( -5.503 -6.719 0.000) 8.685 12.104 ( 0.290 -2.389 0.000) 2.407 12.492 ( 3.408 -4.550 0.000) 5.684 12.508 ( -0.605 4.734 -0.000) 4.773 12.682 ( 4.675 2.977 -0.000) 5.542 12.774 ( -8.714 -1.836 0.000) 8.905 13.009 ( 7.763 -7.406 0.000) 10.729 13.167 ( -12.946 -3.070 0.000) 13.305 13.181 ( 2.584 -1.467 0.000) 2.971 13.212 ( -0.687 -6.715 0.000) 6.750 13.347 ( -0.839 5.045 -0.000) 5.114 13.527 ( -3.679 1.236 -0.000) 3.881 13.676 ( 8.181 3.204 -0.000) 8.787 13.817 ( 1.613 3.069 -0.000) 3.467 14.222 ( -7.182 -1.175 0.000) 7.278 14.305 ( 6.798 0.244 -0.000) 6.802 14.592 ( -1.327 3.314 -0.000) 3.570 14.649 ( -8.865 -0.585 0.000) 8.884 14.694 ( -10.183 9.782 -0.000) 14.121 14.970 ( -7.547 4.865 -0.000) 8.979 15.231 ( -19.105 2.418 -0.000) 19.258 15.379 ( -1.875 -0.642 0.000) 1.982 15.550 ( -19.507 -0.078 0.000) 19.507 15.686 ( -5.051 -0.751 0.000) 5.106 15.829 ( -2.013 10.969 -0.000) 11.152 15.997 ( -4.176 -4.385 0.000) 6.056 16.488 ( 0.278 -0.137 0.000) 0.310 16.488 ( -1.095 -1.377 0.000) 1.759 16.538 ( 3.721 1.678 -0.000) 4.082 16.874 ( 6.934 1.382 -0.000) 7.070 16.925 ( -8.203 0.359 -0.000) 8.211 17.251 ( -8.801 -3.925 0.000) 9.636 17.646 ( -6.819 0.457 -0.000) 6.834 17.692 ( -4.660 0.206 -0.000) 4.665 17.834 ( -2.871 3.959 -0.000) 4.890 17.837 ( -6.683 -3.558 0.000) 7.571 18.353 ( -2.825 -2.655 0.000) 3.877 18.412 ( -4.615 3.109 -0.000) 5.564 19.933 ( 22.719 -4.369 0.000) 23.135 20.260 ( 13.058 -16.822 0.000) 21.295 20.862 ( -5.839 13.550 -0.000) 14.754 20.889 ( -3.996 -6.611 0.000) 7.724 22.444 ( 5.261 5.775 -0.000) 7.812 22.523 ( 13.213 -5.789 0.000) 14.425 23.080 ( -13.909 25.590 -0.000) 29.126 24.025 ( -19.060 -20.593 0.000) 28.060 25.492 ( 1.962 1.353 -0.000) 2.383 25.621 ( 0.113 3.580 -0.000) 3.582 25.696 ( -0.590 1.750 -0.000) 1.847 25.886 ( -1.558 -5.241 0.000) 5.468 ======================= Grid point 25 (21/84) ======================= q-point: (-0.45 -0.05 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.556 ( 19.632 -0.000 3.903) 20.016 2.740 ( 18.971 -0.000 -12.558) 22.750 3.061 ( 6.944 -0.000 -9.947) 12.131 3.249 ( -1.177 0.000 8.736) 8.815 3.299 ( -4.466 -0.000 -10.821) 11.706 3.676 ( -13.400 0.000 8.889) 16.080 3.818 ( 3.201 -0.000 -5.847) 6.666 3.836 ( 2.524 0.000 8.098) 8.482 4.226 ( 3.809 -0.000 -0.889) 3.912 4.298 ( 6.002 0.000 9.136) 10.931 4.466 ( -7.098 0.000 2.360) 7.480 4.563 ( -4.585 -0.000 -3.700) 5.892 6.741 ( 11.623 0.000 8.564) 14.437 6.818 ( 1.354 -0.000 -2.489) 2.834 7.019 ( -3.818 -0.000 -19.409) 19.781 7.321 ( -11.838 0.000 17.385) 21.033 7.865 ( 27.479 -0.000 -1.885) 27.544 8.087 ( 10.403 -0.000 -1.637) 10.531 8.308 ( -3.682 -0.000 -8.219) 9.007 8.372 ( 19.949 -0.000 -3.688) 20.287 8.667 ( 22.253 -0.000 3.650) 22.551 8.847 ( -7.438 -0.000 -7.322) 10.438 9.002 ( 9.631 -0.000 2.045) 9.846 9.111 ( -14.967 0.000 -1.932) 15.091 9.237 ( 18.044 -0.000 -0.850) 18.064 9.311 ( -19.589 0.000 1.747) 19.666 9.536 ( 32.893 -0.000 4.442) 33.192 9.554 ( -16.392 0.000 1.326) 16.446 9.743 ( 0.489 0.000 3.314) 3.350 9.792 ( 9.944 -0.000 3.635) 10.588 9.961 ( -11.144 0.000 3.203) 11.595 10.058 ( 17.356 -0.000 2.662) 17.559 10.109 ( 13.011 -0.000 3.330) 13.430 10.275 ( 5.588 0.000 5.915) 8.137 10.389 ( -5.651 0.000 1.260) 5.790 10.553 ( 3.809 -0.000 -6.453) 7.493 10.746 ( -11.634 0.000 -0.751) 11.658 10.942 ( -20.382 0.000 3.182) 20.629 11.032 ( -4.301 -0.000 -5.069) 6.648 11.080 ( -16.588 0.000 1.259) 16.636 11.434 ( 25.220 -0.000 -6.890) 26.144 11.507 ( -2.297 -0.000 -1.061) 2.530 11.547 ( 1.132 0.000 1.009) 1.516 11.643 ( -0.941 -0.000 -7.521) 7.580 11.703 ( -7.313 0.000 6.607) 9.856 12.130 ( 5.271 -0.000 -7.661) 9.299 12.160 ( -6.049 -0.000 -4.078) 7.295 12.219 ( -2.079 0.000 10.051) 10.264 12.232 ( 15.610 -0.000 -2.315) 15.781 12.518 ( -2.324 -0.000 -5.539) 6.006 12.575 ( 3.940 0.000 9.657) 10.430 12.813 ( 27.969 -0.000 2.188) 28.055 12.923 ( -4.025 0.000 4.072) 5.726 13.170 ( 1.789 0.000 4.309) 4.665 13.389 ( -2.176 -0.000 -8.122) 8.408 13.438 ( 4.482 -0.000 -0.222) 4.487 13.462 ( -5.213 0.000 -1.613) 5.457 13.497 ( 9.579 0.000 5.682) 11.138 13.834 ( -9.484 0.000 -3.607) 10.147 13.869 ( 5.062 -0.000 -1.569) 5.299 13.902 ( -9.417 0.000 3.703) 10.119 14.135 ( 4.038 -0.000 -9.061) 9.920 14.252 ( 3.194 0.000 6.917) 7.619 14.357 ( -14.934 0.000 4.829) 15.695 14.642 ( -23.860 0.000 -4.435) 24.268 14.731 ( 2.210 -0.000 -5.733) 6.144 14.859 ( -28.174 0.000 -0.864) 28.187 14.975 ( -10.359 0.000 -2.608) 10.683 15.540 ( 1.194 -0.000 -5.190) 5.325 15.642 ( -3.886 0.000 -1.384) 4.125 15.747 ( 8.523 0.000 4.196) 9.500 16.121 ( -7.332 -0.000 -4.783) 8.754 16.548 ( 4.133 0.000 5.466) 6.853 16.616 ( 4.837 -0.000 -5.051) 6.994 16.741 ( 5.450 -0.000 0.969) 5.535 16.868 ( 2.949 -0.000 -5.029) 5.830 16.932 ( -1.037 -0.000 -6.932) 7.009 17.091 ( -1.458 0.000 14.618) 14.691 17.116 ( -9.802 0.000 3.635) 10.455 17.391 ( -11.816 -0.000 -4.855) 12.774 17.981 ( -2.997 0.000 10.251) 10.680 17.998 ( -3.642 -0.000 -8.921) 9.636 18.244 ( -1.066 -0.000 -8.552) 8.618 18.252 ( -1.664 0.000 7.390) 7.575 20.262 ( 6.070 0.000 14.190) 15.434 20.300 ( 10.699 0.000 5.500) 12.030 20.641 ( 10.975 -0.000 -1.379) 11.061 21.467 ( -21.299 -0.000 -16.097) 26.697 22.144 ( 3.015 0.000 1.457) 3.348 22.276 ( -3.811 0.000 -0.282) 3.822 23.209 ( 21.057 -0.000 -3.073) 21.280 24.073 ( -20.050 0.000 2.988) 20.272 25.464 ( 1.177 0.000 2.589) 2.845 25.526 ( -1.822 -0.000 -2.966) 3.480 25.696 ( 2.457 -0.000 -2.548) 3.540 25.820 ( -3.033 0.000 5.131) 5.960 ======================= Grid point 26 (22/84) ======================= q-point: ( 0.05 -0.05 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.757 ( 2.014 -2.567 0.000) 3.263 2.817 ( -2.097 2.885 -0.000) 3.567 3.197 ( -1.380 -1.902 0.000) 2.350 3.254 ( -3.101 2.639 -0.000) 4.072 3.282 ( -3.777 -2.993 0.000) 4.819 3.402 ( 2.644 7.539 -0.000) 7.990 3.649 ( -6.305 -0.552 0.000) 6.329 3.722 ( 8.989 3.840 -0.000) 9.775 4.238 ( -5.074 -0.700 0.000) 5.122 4.254 ( 5.840 -0.286 0.000) 5.847 4.713 ( 4.798 -6.840 0.000) 8.355 4.774 ( -3.339 -1.051 0.000) 3.500 6.806 ( -2.480 -5.759 0.000) 6.271 6.858 ( 3.421 -1.478 0.000) 3.727 7.490 ( -0.863 -16.700 0.000) 16.723 7.785 ( -0.803 9.605 -0.000) 9.639 8.081 ( 4.240 -4.616 0.000) 6.268 8.173 ( -5.330 3.543 -0.000) 6.400 8.268 ( -1.964 -2.203 0.000) 2.952 8.419 ( 8.472 9.550 -0.000) 12.767 8.632 ( -10.800 -5.868 0.000) 12.291 8.729 ( -11.147 2.794 -0.000) 11.492 8.905 ( 3.160 2.283 -0.000) 3.899 8.923 ( 12.223 3.599 -0.000) 12.742 9.358 ( -0.041 -2.527 0.000) 2.527 9.387 ( 2.252 -3.212 0.000) 3.923 9.521 ( -21.657 -2.552 0.000) 21.807 9.530 ( 17.842 2.424 -0.000) 18.006 9.778 ( -5.978 -0.185 0.000) 5.981 9.789 ( 10.551 3.963 -0.000) 11.270 9.846 ( -6.581 7.210 -0.000) 9.762 9.914 ( 4.278 9.262 -0.000) 10.203 10.297 ( -0.015 -4.871 0.000) 4.871 10.323 ( 7.896 -1.056 0.000) 7.967 10.547 ( 18.719 -0.517 0.000) 18.726 10.549 ( -13.170 0.127 0.000) 13.171 10.708 ( 4.556 -4.716 0.000) 6.557 10.760 ( -12.972 -2.581 0.000) 13.226 10.905 ( -13.290 -1.437 0.000) 13.368 11.033 ( 11.367 6.657 -0.000) 13.173 11.322 ( -6.946 -2.960 0.000) 7.550 11.335 ( 12.038 -0.514 0.000) 12.049 11.670 ( -0.811 2.245 -0.000) 2.387 11.676 ( -9.433 1.356 -0.000) 9.530 11.809 ( 3.462 -6.690 0.000) 7.533 11.994 ( -3.518 9.072 -0.000) 9.730 12.205 ( -12.417 -7.670 0.000) 14.595 12.329 ( 15.182 -1.906 0.000) 15.301 12.434 ( -8.342 -1.471 0.000) 8.471 12.473 ( 9.054 4.251 -0.000) 10.002 12.559 ( 6.648 6.544 -0.000) 9.328 12.589 ( -4.091 5.295 -0.000) 6.691 13.122 ( 8.181 -1.767 0.000) 8.370 13.124 ( -5.817 -0.540 0.000) 5.842 13.390 ( 2.366 -0.676 0.000) 2.461 13.416 ( -4.298 2.172 -0.000) 4.816 13.598 ( -24.651 -0.982 0.000) 24.670 13.603 ( 22.411 -0.066 -0.000) 22.411 13.639 ( -16.533 -3.304 0.000) 16.860 13.703 ( 15.711 3.100 -0.000) 16.014 14.123 ( 16.124 -0.835 0.000) 16.145 14.143 ( -14.388 0.849 -0.000) 14.413 14.313 ( 5.354 -7.392 0.000) 9.127 14.399 ( -5.993 0.150 -0.000) 5.995 14.620 ( 9.131 -5.944 0.000) 10.895 14.626 ( -5.344 -2.248 0.000) 5.797 14.715 ( -6.576 1.536 -0.000) 6.753 14.774 ( -1.066 4.468 -0.000) 4.594 15.606 ( -5.890 -4.960 0.000) 7.700 15.677 ( 4.566 -0.919 0.000) 4.657 15.777 ( 6.402 0.649 -0.000) 6.435 15.874 ( -6.703 7.055 -0.000) 9.732 16.495 ( 2.861 -2.875 0.000) 4.056 16.567 ( -3.771 4.116 -0.000) 5.582 16.765 ( -4.176 -2.737 0.000) 4.993 16.831 ( 3.559 3.379 -0.000) 4.908 16.982 ( -0.945 -0.355 0.000) 1.009 16.983 ( 3.180 -0.508 0.000) 3.221 17.401 ( -2.703 -4.218 0.000) 5.010 17.475 ( 3.108 2.810 -0.000) 4.190 17.733 ( 2.075 -4.619 0.000) 5.064 17.826 ( -2.659 4.112 -0.000) 4.897 18.249 ( 1.915 -3.580 0.000) 4.060 18.320 ( -1.720 3.082 -0.000) 3.529 20.413 ( 8.487 -7.470 0.000) 11.306 20.499 ( 6.305 0.896 -0.000) 6.369 20.698 ( -1.591 0.427 -0.000) 1.647 20.820 ( -11.216 11.763 -0.000) 16.253 22.650 ( 8.461 -17.047 0.000) 19.031 22.752 ( -10.397 -15.708 0.000) 18.837 23.142 ( -15.994 13.426 -0.000) 20.883 23.272 ( 17.245 17.564 -0.000) 24.615 25.617 ( -3.393 -2.935 0.000) 4.486 25.633 ( 2.255 -0.113 0.000) 2.258 25.646 ( -1.622 -4.112 0.000) 4.420 25.749 ( 3.351 4.241 -0.000) 5.405 ======================= Grid point 27 (23/84) ======================= q-point: ( 0.55 -0.05 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.599 ( -18.493 4.034 -4.584) 19.475 2.757 ( -16.405 2.015 10.268) 19.458 3.021 ( -8.519 -3.355 9.065) 12.885 3.242 ( 3.744 -1.390 -6.853) 7.932 3.306 ( 3.029 0.573 7.893) 8.474 3.619 ( 8.873 -5.360 -5.391) 11.684 3.667 ( -2.992 -10.486 0.819) 10.936 3.787 ( 2.436 -5.454 -5.716) 8.268 4.209 ( -6.579 4.000 5.724) 9.595 4.425 ( -5.159 5.308 -8.926) 11.596 4.517 ( 6.928 5.601 -4.636) 10.043 4.645 ( 4.096 5.177 4.347) 7.904 6.817 ( -9.916 7.075 -6.335) 13.730 6.924 ( -2.492 8.857 -0.279) 9.205 7.088 ( 2.327 5.940 18.932) 19.978 7.336 ( 9.437 0.839 -15.326) 18.018 7.911 ( -24.812 4.362 1.747) 25.253 8.098 ( -9.704 0.842 2.307) 10.010 8.284 ( 0.463 -1.446 4.814) 5.048 8.399 ( -17.562 2.565 2.515) 17.926 8.559 ( -11.887 -7.071 1.460) 13.908 8.759 ( -3.285 -13.693 -0.429) 14.089 8.950 ( 0.426 2.176 -0.220) 2.229 9.122 ( -1.849 -2.030 3.499) 4.448 9.169 ( -2.867 -6.620 -3.978) 8.238 9.361 ( -5.817 1.658 2.315) 6.476 9.478 ( -0.744 -0.651 -3.510) 3.647 9.584 ( 4.720 1.538 1.509) 5.189 9.687 ( -3.263 -4.380 -5.468) 7.729 9.815 ( -5.956 2.082 -1.650) 6.521 10.005 ( 0.203 1.117 -2.615) 2.851 10.064 ( -16.753 -0.500 -4.919) 17.468 10.145 ( -0.750 0.702 -2.946) 3.121 10.226 ( 0.888 3.332 -0.461) 3.479 10.427 ( 0.630 0.591 -4.619) 4.699 10.560 ( -4.001 -0.199 6.870) 7.952 10.724 ( 7.808 -4.576 1.475) 9.170 10.855 ( 11.521 0.304 -2.394) 11.771 11.012 ( 8.369 -4.568 3.973) 10.329 11.147 ( 8.963 3.490 -0.300) 9.623 11.358 ( -10.851 -3.781 -2.400) 11.739 11.462 ( 1.698 -4.028 1.263) 4.550 11.608 ( -0.056 -0.520 3.049) 3.094 11.631 ( -8.447 4.334 5.224) 10.837 11.724 ( 10.497 1.167 -2.006) 10.750 12.124 ( 2.073 -2.515 6.534) 7.301 12.136 ( -7.577 -3.091 -4.766) 9.470 12.180 ( -6.620 3.375 5.533) 9.265 12.322 ( -4.766 2.421 -2.448) 5.880 12.426 ( -2.351 -4.309 -2.004) 5.302 12.618 ( 5.628 1.244 -3.849) 6.931 12.799 ( -8.032 -2.613 -4.449) 9.547 12.949 ( -12.179 3.206 0.882) 12.625 13.187 ( -2.630 0.934 -5.573) 6.233 13.329 ( -4.986 -4.805 1.769) 7.147 13.362 ( 0.722 -4.282 -2.677) 5.101 13.417 ( -2.011 -1.303 4.542) 5.136 13.503 ( 0.878 -2.508 1.558) 3.080 13.797 ( -0.353 2.044 4.814) 5.242 13.936 ( 7.229 1.782 -3.459) 8.210 13.982 ( -0.922 4.508 -0.935) 4.695 14.171 ( 2.646 0.407 3.618) 4.501 14.314 ( -4.017 7.969 -2.324) 9.222 14.429 ( 14.962 6.411 -4.347) 16.848 14.647 ( 22.299 0.488 3.563) 22.587 14.709 ( 1.889 -1.741 4.753) 5.403 14.868 ( 23.202 0.429 1.122) 23.233 14.981 ( 11.160 -0.078 2.545) 11.447 15.546 ( -1.679 0.749 4.596) 4.950 15.656 ( 1.467 1.111 -0.009) 1.841 15.726 ( -5.377 -1.197 -3.366) 6.456 16.071 ( 7.157 -4.710 3.912) 9.419 16.549 ( -3.997 0.414 -3.521) 5.342 16.641 ( -3.849 0.710 2.951) 4.901 16.736 ( -6.900 0.860 2.017) 7.240 16.873 ( -0.575 -0.595 2.456) 2.592 16.915 ( 0.560 -0.221 4.461) 4.502 17.056 ( 1.923 -2.523 -10.225) 10.706 17.166 ( 8.453 3.297 -3.614) 9.767 17.367 ( 11.015 -2.117 3.340) 11.704 17.993 ( 1.810 1.749 0.215) 2.526 18.050 ( 4.443 4.038 -1.372) 6.159 18.204 ( 0.449 -2.882 -0.193) 2.923 18.254 ( 2.697 -0.710 1.449) 3.143 20.272 ( -7.836 1.038 -11.908) 14.293 20.322 ( -13.223 1.717 -5.803) 14.542 20.636 ( -4.981 0.259 2.453) 5.558 21.243 ( 14.501 -16.064 11.276) 24.402 22.296 ( -2.993 10.127 -1.215) 10.629 22.505 ( 7.988 20.619 2.915) 22.304 23.109 ( -19.233 -9.193 3.099) 21.541 23.901 ( 18.474 -15.389 -3.726) 24.332 25.531 ( -0.022 5.452 -1.059) 5.554 25.550 ( 0.981 2.069 2.265) 3.220 25.688 ( -2.243 -0.771 1.737) 2.940 25.807 ( 2.980 -1.349 -4.443) 5.517 ======================= Grid point 28 (24/84) ======================= q-point: ( 0.05 -0.05 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.084 ( -24.653 -10.263 0.000) 26.704 2.283 ( -28.992 -9.524 0.000) 30.516 2.810 ( -0.213 3.632 -0.000) 3.638 2.908 ( -22.859 -11.701 0.000) 25.679 3.137 ( 3.602 1.700 -0.000) 3.983 3.571 ( -2.357 14.693 -0.000) 14.881 3.914 ( 1.316 5.146 -0.000) 5.312 3.932 ( 5.664 13.379 -0.000) 14.529 4.382 ( 1.779 -5.537 0.000) 5.816 4.537 ( -4.439 -5.014 0.000) 6.696 4.550 ( 8.017 2.749 -0.000) 8.475 4.667 ( 1.648 -7.493 0.000) 7.672 6.677 ( -3.959 -8.354 0.000) 9.244 6.762 ( 0.150 -8.760 0.000) 8.761 6.807 ( -11.254 -2.593 0.000) 11.549 7.634 ( -10.589 -9.556 0.000) 14.263 7.647 ( -16.668 2.424 -0.000) 16.843 7.797 ( -15.281 1.104 -0.000) 15.321 7.923 ( -18.213 5.361 -0.000) 18.985 8.354 ( -18.371 -10.777 0.000) 21.299 8.443 ( 11.499 -1.035 0.000) 11.546 8.470 ( 7.443 9.832 -0.000) 12.332 8.619 ( -10.780 1.939 -0.000) 10.953 8.798 ( -24.372 6.300 -0.000) 25.173 9.152 ( -13.440 -8.842 0.000) 16.087 9.345 ( 9.319 11.791 -0.000) 15.029 9.426 ( -9.735 1.507 -0.000) 9.851 9.452 ( -15.605 4.829 -0.000) 16.335 9.784 ( 6.335 7.337 -0.000) 9.694 9.797 ( -18.026 -7.027 0.000) 19.347 9.962 ( -9.875 4.119 -0.000) 10.700 10.192 ( 8.628 2.415 -0.000) 8.960 10.234 ( 2.903 -4.341 0.000) 5.222 10.373 ( 13.896 -3.805 0.000) 14.407 10.441 ( 1.024 4.576 -0.000) 4.689 10.496 ( 9.208 -2.083 0.000) 9.441 10.669 ( -0.979 4.725 -0.000) 4.825 10.902 ( -0.617 -1.430 0.000) 1.558 11.063 ( -0.457 -3.703 0.000) 3.731 11.275 ( -8.619 6.515 -0.000) 10.804 11.366 ( -3.063 0.408 -0.000) 3.090 11.399 ( 7.765 -0.600 0.000) 7.788 11.435 ( 4.843 6.056 -0.000) 7.754 11.637 ( 6.452 -5.502 0.000) 8.479 11.739 ( -16.153 2.784 -0.000) 16.391 11.862 ( -7.853 5.422 -0.000) 9.543 12.072 ( 6.384 3.836 -0.000) 7.448 12.100 ( -0.078 -2.258 0.000) 2.259 12.405 ( 1.225 -4.464 0.000) 4.629 12.446 ( -9.288 -9.572 0.000) 13.337 12.648 ( 2.345 0.562 -0.000) 2.411 12.823 ( 4.243 2.483 -0.000) 4.916 13.061 ( -0.805 -1.459 0.000) 1.666 13.161 ( 4.918 -1.458 0.000) 5.130 13.280 ( -4.686 5.342 -0.000) 7.106 13.303 ( -2.366 1.571 -0.000) 2.840 13.413 ( 6.887 8.592 -0.000) 11.012 13.524 ( 4.292 2.353 -0.000) 4.895 13.625 ( -10.095 -1.051 0.000) 10.150 13.779 ( -0.750 -0.060 0.000) 0.753 14.164 ( 5.420 -8.705 0.000) 10.254 14.296 ( -8.568 -0.344 0.000) 8.574 14.465 ( 7.974 -4.984 0.000) 9.403 14.541 ( 5.349 -4.900 0.000) 7.254 14.566 ( 12.017 -6.829 0.000) 13.822 14.908 ( 4.237 -1.702 0.000) 4.566 15.199 ( 19.249 -0.794 0.000) 19.265 15.378 ( -1.443 -0.560 0.000) 1.547 15.572 ( 28.306 1.455 -0.000) 28.344 15.628 ( -0.399 -7.433 0.000) 7.444 15.707 ( -1.258 1.043 -0.000) 1.634 16.066 ( 1.255 2.063 -0.000) 2.415 16.490 ( 1.941 0.047 -0.000) 1.941 16.491 ( -3.400 -2.200 0.000) 4.050 16.566 ( -1.054 5.711 -0.000) 5.808 16.817 ( -5.194 -4.227 0.000) 6.697 16.923 ( 7.472 0.086 -0.000) 7.473 17.340 ( 8.160 4.209 -0.000) 9.181 17.632 ( 2.616 -4.220 0.000) 4.965 17.669 ( 9.606 2.212 -0.000) 9.857 17.791 ( 4.458 -0.871 0.000) 4.542 17.885 ( 3.723 0.913 -0.000) 3.833 18.343 ( 5.182 -2.954 0.000) 5.965 18.400 ( 2.278 1.716 -0.000) 2.852 20.007 ( -27.137 2.571 -0.000) 27.258 20.609 ( 4.844 2.025 -0.000) 5.250 20.721 ( -3.739 13.417 -0.000) 13.928 20.998 ( 7.973 3.629 -0.000) 8.760 22.323 ( 0.092 -4.218 0.000) 4.219 22.505 ( 7.586 -27.568 0.000) 28.593 22.659 ( -17.699 5.353 -0.000) 18.491 24.418 ( 19.652 15.374 -0.000) 24.951 25.473 ( -1.085 -0.681 0.000) 1.281 25.555 ( -0.227 -2.459 0.000) 2.470 25.638 ( 0.100 -3.419 0.000) 3.421 25.967 ( 1.752 2.617 -0.000) 3.150 ======================= Grid point 29 (25/84) ======================= q-point: ( 0.55 -0.05 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.058 ( -12.851 15.274 10.525) 22.566 2.298 ( -10.359 5.917 6.566) 13.617 2.470 ( -11.025 -0.264 -0.340) 11.034 2.820 ( -10.484 -20.055 -8.533) 24.185 3.225 ( -10.497 12.806 8.077) 18.423 3.402 ( -1.620 -4.773 -3.079) 5.906 3.738 ( -1.753 1.626 0.390) 2.423 3.864 ( 1.185 -9.188 -2.463) 9.586 4.145 ( -1.893 6.878 -4.956) 8.687 4.290 ( -0.058 -5.510 1.029) 5.605 4.689 ( -3.563 4.415 -4.648) 7.335 4.753 ( -2.223 -1.336 1.879) 3.202 6.652 ( -9.639 14.340 -7.268) 18.745 6.810 ( -11.037 1.139 1.667) 11.220 7.105 ( -6.548 -0.446 -0.144) 6.565 7.147 ( -4.286 -3.446 10.061) 11.466 7.417 ( -10.124 1.739 1.577) 10.393 7.546 ( -4.218 -6.365 -6.574) 10.076 7.919 ( -14.064 8.018 8.441) 18.257 7.965 ( -15.403 5.138 2.011) 16.361 8.066 ( -11.388 -2.137 -2.229) 11.799 8.108 ( -16.570 -7.998 -7.774) 19.974 8.622 ( -13.336 2.398 6.527) 15.040 8.729 ( -15.959 -1.958 -2.488) 16.270 8.841 ( 2.395 -0.718 -8.858) 9.204 8.927 ( 2.910 -2.573 5.809) 6.988 9.079 ( -7.459 8.502 -3.037) 11.711 9.376 ( -1.678 -14.928 4.397) 15.653 9.795 ( -0.017 -0.503 1.694) 1.768 9.851 ( 2.832 -5.311 1.753) 6.269 10.004 ( -1.530 0.468 -5.129) 5.373 10.056 ( 2.749 -2.642 2.487) 4.552 10.332 ( 6.818 8.325 -1.004) 10.807 10.432 ( -0.254 -0.609 0.511) 0.835 10.571 ( 3.569 5.159 -9.509) 11.392 10.622 ( 8.136 0.655 2.813) 8.634 10.840 ( 5.574 -2.959 -4.290) 7.631 10.869 ( 7.473 -3.820 5.187) 9.866 11.115 ( -5.098 8.370 0.234) 9.803 11.198 ( -5.507 4.202 2.120) 7.244 11.265 ( -4.410 -3.595 4.781) 7.431 11.317 ( 0.370 -2.703 -5.852) 6.457 11.349 ( -8.886 -6.469 -1.346) 11.074 11.440 ( -2.183 -9.215 5.369) 10.886 11.762 ( -2.804 8.971 -0.478) 9.412 11.899 ( -3.534 -2.833 3.007) 5.437 12.154 ( -4.083 2.265 0.743) 4.728 12.205 ( -1.839 2.786 -7.256) 7.987 12.257 ( 3.091 -1.346 4.576) 5.684 12.328 ( 7.209 -2.427 -4.422) 8.798 12.558 ( -4.178 8.703 -1.761) 9.813 12.747 ( -5.871 -9.240 -1.013) 10.995 12.979 ( 3.613 4.087 -2.370) 5.947 13.064 ( 4.347 -3.759 0.340) 5.757 13.311 ( 0.552 0.508 4.297) 4.363 13.329 ( 0.165 -1.024 -2.447) 2.658 13.461 ( 2.296 4.571 0.129) 5.117 13.565 ( 0.491 -5.148 0.494) 5.195 13.777 ( 1.725 0.363 4.727) 5.045 13.783 ( 1.097 -0.659 -2.555) 2.858 14.239 ( 2.071 3.487 -6.588) 7.736 14.290 ( 2.505 -1.325 7.296) 7.827 14.599 ( 3.383 6.988 -4.895) 9.178 14.694 ( 1.619 -1.702 4.360) 4.952 14.979 ( 4.033 7.890 -2.515) 9.211 15.106 ( 3.209 -3.385 3.441) 5.796 15.413 ( -1.446 0.515 -3.702) 4.008 15.495 ( 0.994 -6.108 6.016) 8.631 15.842 ( 14.974 3.624 8.749) 17.717 15.909 ( 16.512 -3.030 -7.845) 18.531 15.981 ( 6.870 9.775 2.732) 12.256 16.159 ( 5.921 -6.095 1.231) 8.586 16.504 ( -1.503 3.791 -1.271) 4.272 16.574 ( 0.402 -2.336 -2.160) 3.207 16.656 ( 5.355 0.087 2.874) 6.078 16.691 ( 0.010 -2.141 1.158) 2.434 17.206 ( 9.038 1.662 -0.152) 9.191 17.250 ( 9.571 -2.292 -0.108) 9.843 17.619 ( 9.494 3.999 -2.814) 10.680 17.704 ( 9.034 -4.140 3.233) 10.450 18.149 ( 3.221 1.508 4.215) 5.515 18.198 ( 2.303 -2.935 -4.483) 5.833 18.355 ( 4.512 2.922 -0.561) 5.405 18.391 ( 3.579 -0.516 0.837) 3.712 19.519 ( -22.501 3.254 3.614) 23.021 19.609 ( -22.571 -5.311 -9.831) 25.185 20.856 ( 1.764 12.419 -5.419) 13.664 21.170 ( 2.508 -17.879 6.898) 19.327 22.286 ( -4.179 2.832 -2.528) 5.646 22.352 ( -8.876 -3.403 2.603) 9.856 23.657 ( 19.850 26.327 6.894) 33.685 24.155 ( 15.923 -21.667 -6.021) 27.555 25.592 ( -0.088 0.950 -1.707) 1.956 25.605 ( 0.322 -0.567 3.543) 3.603 25.711 ( -0.954 3.874 1.220) 4.172 25.789 ( -2.627 -3.305 -3.128) 5.255 ======================= Grid point 30 (26/84) ======================= q-point: ( 0.05 -0.05 -0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.691 ( -33.262 0.000 0.000) 33.262 0.770 ( -36.985 0.000 0.000) 36.985 1.112 ( -51.663 0.000 0.000) 51.663 2.931 ( 2.153 -0.000 -0.000) 2.153 3.327 ( 2.766 -0.000 -0.000) 2.766 3.599 ( -3.916 0.000 0.000) 3.916 3.965 ( 0.455 -0.000 -0.000) 0.455 4.249 ( -2.863 0.000 0.000) 2.863 4.255 ( -4.254 0.000 0.000) 4.254 4.352 ( 2.459 -0.000 -0.000) 2.459 4.477 ( -1.382 0.000 0.000) 1.382 4.896 ( 3.583 -0.000 -0.000) 3.583 6.025 ( -10.519 0.000 0.000) 10.519 6.449 ( -1.572 0.000 0.000) 1.572 6.960 ( -10.984 0.000 0.000) 10.984 7.236 ( 7.224 -0.000 -0.000) 7.224 7.388 ( -6.704 0.000 0.000) 6.704 7.423 ( 9.533 -0.000 -0.000) 9.533 7.480 ( -4.772 0.000 0.000) 4.772 7.681 ( -6.989 0.000 0.000) 6.989 7.905 ( -13.314 0.000 0.000) 13.314 8.025 ( -19.186 0.000 0.000) 19.186 8.166 ( -11.856 0.000 0.000) 11.856 8.438 ( -17.477 0.000 0.000) 17.477 8.966 ( -0.691 0.000 0.000) 0.691 8.969 ( 10.575 -0.000 -0.000) 10.575 9.278 ( -14.134 0.000 0.000) 14.134 9.453 ( 7.361 -0.000 -0.000) 7.361 9.639 ( 1.047 -0.000 -0.000) 1.047 9.904 ( 2.799 -0.000 -0.000) 2.799 10.005 ( 0.915 -0.000 -0.000) 0.915 10.378 ( 5.957 -0.000 -0.000) 5.957 10.444 ( 2.699 -0.000 -0.000) 2.699 10.477 ( -0.460 0.000 0.000) 0.460 10.651 ( 2.888 -0.000 -0.000) 2.888 10.805 ( 4.808 -0.000 -0.000) 4.808 10.857 ( 0.915 -0.000 -0.000) 0.915 10.894 ( 7.344 -0.000 -0.000) 7.344 10.953 ( -8.840 0.000 0.000) 8.840 10.992 ( 0.512 -0.000 -0.000) 0.512 11.044 ( -10.244 0.000 0.000) 10.244 11.330 ( -2.713 0.000 0.000) 2.713 11.607 ( 1.651 -0.000 -0.000) 1.651 11.618 ( -0.824 0.000 0.000) 0.824 11.623 ( -8.169 0.000 0.000) 8.169 11.871 ( 5.402 -0.000 -0.000) 5.402 11.926 ( -3.896 0.000 0.000) 3.896 12.137 ( -1.321 0.000 0.000) 1.321 12.229 ( 1.513 -0.000 -0.000) 1.513 12.571 ( 5.349 -0.000 -0.000) 5.349 12.954 ( 6.362 -0.000 -0.000) 6.362 12.989 ( 4.209 -0.000 -0.000) 4.209 13.115 ( 0.063 -0.000 -0.000) 0.063 13.179 ( -1.941 0.000 0.000) 1.941 13.271 ( 0.298 -0.000 -0.000) 0.298 13.281 ( -0.452 0.000 0.000) 0.452 13.422 ( 2.434 -0.000 -0.000) 2.434 13.603 ( -0.380 0.000 0.000) 0.380 13.647 ( 2.047 -0.000 -0.000) 2.047 13.861 ( 0.671 -0.000 -0.000) 0.671 13.901 ( -9.121 0.000 0.000) 9.121 14.320 ( 7.115 -0.000 -0.000) 7.115 14.553 ( 2.322 -0.000 -0.000) 2.322 14.554 ( -4.375 0.000 0.000) 4.375 14.909 ( 4.651 -0.000 -0.000) 4.651 15.043 ( 4.642 -0.000 -0.000) 4.642 15.242 ( -3.077 0.000 0.000) 3.077 15.472 ( -0.744 0.000 0.000) 0.744 15.619 ( -0.169 0.000 0.000) 0.169 15.775 ( 8.147 -0.000 -0.000) 8.147 15.953 ( -3.799 0.000 0.000) 3.799 16.395 ( -0.192 0.000 0.000) 0.192 16.561 ( 12.453 -0.000 -0.000) 12.453 16.579 ( -2.444 0.000 0.000) 2.444 16.688 ( 0.666 -0.000 -0.000) 0.666 16.715 ( 5.018 -0.000 -0.000) 5.018 17.418 ( 12.776 -0.000 -0.000) 12.776 17.630 ( 2.996 -0.000 -0.000) 2.996 17.645 ( 0.556 -0.000 -0.000) 0.556 17.924 ( 2.046 -0.000 -0.000) 2.046 17.955 ( 1.260 -0.000 -0.000) 1.260 18.074 ( 5.027 -0.000 -0.000) 5.027 18.502 ( 2.895 -0.000 -0.000) 2.895 18.512 ( 1.622 -0.000 -0.000) 1.622 19.008 ( -17.858 0.000 0.000) 17.858 20.801 ( 3.296 -0.000 -0.000) 3.296 21.099 ( 1.026 -0.000 -0.000) 1.026 21.277 ( 2.560 -0.000 -0.000) 2.560 22.076 ( -0.967 0.000 0.000) 0.967 22.106 ( -8.574 0.000 0.000) 8.574 22.350 ( 0.913 -0.000 -0.000) 0.913 25.381 ( 16.925 -0.000 -0.000) 16.925 25.443 ( -0.577 0.000 0.000) 0.577 25.535 ( 0.523 -0.000 -0.000) 0.523 25.564 ( -0.452 0.000 0.000) 0.452 25.898 ( -7.519 0.000 0.000) 7.519 ======================= Grid point 31 (27/84) ======================= q-point: ( 0.32 -0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( 0.000 28.027 14.646) 31.623 1.601 ( 0.000 27.518 19.520) 33.738 2.504 ( 0.000 31.875 4.689) 32.218 2.603 ( -0.000 -1.490 -5.298) 5.504 2.771 ( -0.000 -18.247 -15.866) 24.181 3.296 ( 0.000 -12.784 9.259) 15.785 3.870 ( -0.000 3.956 -11.189) 11.868 3.889 ( -0.000 -13.325 -8.789) 15.962 4.174 ( 0.000 -17.291 10.228) 20.090 4.242 ( 0.000 2.750 0.358) 2.773 4.523 ( 0.000 4.364 1.098) 4.500 4.745 ( -0.000 -3.363 -4.521) 5.635 6.288 ( 0.000 9.147 5.958) 10.916 6.714 ( -0.000 -9.553 -4.847) 10.712 6.994 ( 0.000 -1.544 2.328) 2.793 7.030 ( -0.000 -2.876 -3.074) 4.209 7.087 ( 0.000 4.899 6.161) 7.871 7.480 ( -0.000 11.645 -11.366) 16.273 7.564 ( 0.000 -5.771 2.788) 6.409 7.653 ( 0.000 7.782 1.786) 7.984 7.708 ( -0.000 -4.734 -1.685) 5.024 7.973 ( -0.000 -7.890 -3.362) 8.576 8.122 ( 0.000 6.116 2.344) 6.550 8.140 ( 0.000 -1.462 4.177) 4.426 9.035 ( 0.000 3.842 -0.359) 3.858 9.037 ( -0.000 11.911 -9.069) 14.971 9.232 ( -0.000 -1.844 -5.617) 5.912 9.393 ( -0.000 -23.377 -0.127) 23.378 9.625 ( 0.000 12.011 11.231) 16.443 9.757 ( 0.000 -8.121 6.401) 10.340 9.982 ( 0.000 3.841 17.843) 18.252 10.228 ( -0.000 -1.947 -10.658) 10.834 10.439 ( -0.000 -10.691 -7.093) 12.829 10.642 ( -0.000 5.344 -10.574) 11.848 10.722 ( 0.000 2.297 10.651) 10.896 10.787 ( 0.000 6.067 -0.040) 6.068 10.825 ( -0.000 5.434 -5.016) 7.395 10.938 ( -0.000 -0.791 -0.015) 0.791 10.974 ( 0.000 -0.823 0.985) 1.284 11.002 ( 0.000 3.258 6.168) 6.976 11.003 ( -0.000 -8.433 0.558) 8.452 11.255 ( 0.000 5.586 -1.619) 5.816 11.359 ( -0.000 -9.728 2.078) 9.947 11.452 ( -0.000 -2.828 -7.592) 8.102 11.730 ( 0.000 9.528 6.624) 11.604 11.763 ( 0.000 2.051 6.282) 6.608 11.892 ( -0.000 -1.216 -0.171) 1.228 12.312 ( -0.000 -12.047 -8.972) 15.021 12.362 ( 0.000 5.333 -1.046) 5.434 12.539 ( -0.000 -10.866 3.154) 11.314 12.593 ( -0.000 1.951 -6.485) 6.772 12.672 ( -0.000 -5.339 -9.898) 11.246 13.113 ( -0.000 -5.781 0.894) 5.850 13.118 ( -0.000 3.724 -5.997) 7.059 13.245 ( 0.000 0.495 4.541) 4.568 13.361 ( 0.000 2.364 9.242) 9.540 13.469 ( -0.000 2.761 -8.880) 9.299 13.543 ( 0.000 0.089 0.494) 0.502 13.790 ( 0.000 -2.288 6.028) 6.448 13.895 ( -0.000 6.157 -3.627) 7.146 14.108 ( 0.000 -0.226 16.726) 16.728 14.432 ( -0.000 0.623 -0.701) 0.938 14.693 ( -0.000 4.089 -2.294) 4.688 14.777 ( -0.000 3.093 -8.856) 9.381 15.088 ( 0.000 0.622 -0.151) 0.640 15.088 ( -0.000 3.554 -3.838) 5.231 15.358 ( 0.000 -9.381 9.132) 13.092 15.515 ( -0.000 1.976 -6.386) 6.685 15.877 ( 0.000 13.431 1.770) 13.547 16.156 ( 0.000 3.952 14.379) 14.912 16.238 ( -0.000 -8.191 -3.227) 8.804 16.265 ( 0.000 2.252 9.243) 9.514 16.530 ( -0.000 -0.482 -5.256) 5.278 16.630 ( -0.000 -3.044 -1.964) 3.623 16.750 ( 0.000 -2.978 4.642) 5.516 17.031 ( -0.000 3.572 -15.123) 15.539 17.530 ( 0.000 -3.614 1.450) 3.894 17.626 ( -0.000 3.414 -6.696) 7.516 17.898 ( 0.000 0.702 11.572) 11.593 18.051 ( 0.000 3.457 -0.855) 3.561 18.091 ( 0.000 0.197 1.949) 1.959 18.356 ( -0.000 -1.679 -7.634) 7.816 18.454 ( 0.000 1.989 1.405) 2.436 18.527 ( 0.000 -0.601 0.431) 0.740 18.742 ( 0.000 -3.237 1.767) 3.688 18.768 ( -0.000 3.423 -2.093) 4.012 21.005 ( -0.000 11.356 -4.892) 12.365 21.039 ( 0.000 -16.779 9.458) 19.262 22.121 ( 0.000 1.877 2.181) 2.878 22.253 ( -0.000 -2.700 -2.095) 3.418 24.478 ( 0.000 -8.568 3.030) 9.088 24.524 ( -0.000 8.982 -11.513) 14.603 25.562 ( 0.000 2.735 -0.824) 2.857 25.577 ( 0.000 -2.118 5.371) 5.774 25.614 ( 0.000 -3.605 1.232) 3.810 25.619 ( 0.000 2.773 -0.273) 2.786 ======================= Grid point 32 (28/84) ======================= q-point: (-0.18 -0.08 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( 25.090 -0.000 -19.007) 31.476 0.927 ( 24.604 -0.000 -22.975) 33.664 1.560 ( 37.884 -0.000 -38.020) 53.673 2.861 ( -2.108 0.000 6.732) 7.054 3.279 ( 1.546 0.000 5.721) 5.926 3.616 ( 4.133 -0.000 -1.000) 4.252 3.839 ( 1.963 0.000 13.614) 13.755 4.145 ( 2.522 0.000 10.104) 10.414 4.270 ( -0.600 -0.000 -3.865) 3.911 4.329 ( -1.335 0.000 2.121) 2.506 4.595 ( 1.036 -0.000 -9.988) 10.041 4.808 ( -2.468 0.000 9.762) 10.070 6.131 ( 2.413 -0.000 -4.144) 4.795 6.553 ( 1.096 -0.000 -11.070) 11.124 6.795 ( 6.887 0.000 18.001) 19.273 7.118 ( 0.030 0.000 3.037) 3.037 7.370 ( 7.030 -0.000 -0.965) 7.096 7.474 ( 12.011 -0.000 4.081) 12.685 7.569 ( -0.687 -0.000 -6.930) 6.964 7.679 ( 6.196 -0.000 0.461) 6.213 7.831 ( 10.436 0.000 4.399) 11.325 8.095 ( 7.754 -0.000 -13.610) 15.664 8.323 ( 8.280 -0.000 -9.361) 12.498 8.429 ( 18.042 -0.000 0.169) 18.043 8.682 ( -9.370 0.000 20.845) 22.854 8.963 ( 3.000 0.000 3.337) 4.488 9.331 ( 14.168 -0.000 -5.259) 15.112 9.549 ( -5.873 -0.000 -5.730) 8.205 9.804 ( -6.006 -0.000 -15.372) 16.504 9.958 ( -2.462 -0.000 -5.675) 6.186 9.983 ( -0.481 0.000 2.763) 2.805 10.269 ( -5.102 0.000 8.406) 9.834 10.275 ( 0.923 0.000 12.519) 12.553 10.576 ( 0.623 -0.000 -6.189) 6.220 10.682 ( 0.446 0.000 10.763) 10.773 10.695 ( -4.947 0.000 2.503) 5.544 10.790 ( -7.226 0.000 2.688) 7.710 10.976 ( -3.573 -0.000 -5.105) 6.231 11.003 ( 3.385 -0.000 -8.343) 9.003 11.069 ( 5.215 -0.000 -4.649) 6.987 11.104 ( 5.080 -0.000 -4.297) 6.654 11.261 ( 6.796 0.000 4.399) 8.095 11.527 ( 13.462 -0.000 1.519) 13.548 11.595 ( 0.186 0.000 2.532) 2.539 11.631 ( -0.914 -0.000 -2.782) 2.929 11.831 ( -4.577 0.000 3.738) 5.909 11.935 ( 4.576 -0.000 -0.595) 4.614 12.110 ( 0.090 0.000 5.365) 5.366 12.247 ( -1.256 -0.000 -1.768) 2.169 12.520 ( -3.484 0.000 5.228) 6.283 12.660 ( -3.078 0.000 16.220) 16.509 13.012 ( 6.827 0.000 9.778) 11.925 13.021 ( 2.449 0.000 9.858) 10.158 13.221 ( -0.218 -0.000 -5.325) 5.329 13.242 ( -0.858 0.000 3.143) 3.258 13.286 ( -6.092 -0.000 -15.773) 16.908 13.369 ( 0.207 0.000 2.141) 2.151 13.653 ( -0.421 -0.000 -5.541) 5.557 13.786 ( -1.215 0.000 2.842) 3.091 13.928 ( -6.361 -0.000 -6.104) 8.816 14.095 ( 0.744 -0.000 -16.050) 16.067 14.288 ( -7.407 0.000 4.342) 8.586 14.482 ( 1.779 0.000 6.122) 6.375 14.624 ( 0.986 -0.000 -3.217) 3.364 14.860 ( -3.870 0.000 5.196) 6.479 15.039 ( 0.495 -0.000 -0.151) 0.517 15.500 ( 1.909 -0.000 -3.523) 4.007 15.533 ( -8.611 -0.000 -6.972) 11.080 15.644 ( -11.752 -0.000 -15.551) 19.492 15.886 ( -7.412 -0.000 -7.216) 10.344 16.029 ( -0.997 -0.000 -10.127) 10.176 16.383 ( 1.160 0.000 1.588) 1.967 16.481 ( -9.305 0.000 6.341) 11.260 16.590 ( 4.631 -0.000 -1.038) 4.746 16.730 ( -3.450 -0.000 -2.012) 3.994 16.756 ( -5.205 -0.000 -4.586) 6.937 17.402 ( -9.809 0.000 3.108) 10.290 17.529 ( -3.992 0.000 6.378) 7.524 17.705 ( -11.868 -0.000 -5.644) 13.141 17.921 ( -3.677 0.000 -0.209) 3.683 18.099 ( -0.998 -0.000 -11.270) 11.314 18.147 ( -3.853 -0.000 -7.044) 8.029 18.457 ( -3.323 0.000 4.855) 5.883 18.483 ( -1.566 0.000 3.148) 3.516 19.019 ( 17.586 -0.000 -1.332) 17.637 19.794 ( 42.540 0.000 49.777) 65.479 20.748 ( -2.611 0.000 5.721) 6.289 22.024 ( 2.871 0.000 3.360) 4.420 22.159 ( 6.730 -0.000 -3.565) 7.616 22.261 ( -9.466 0.000 -2.642) 9.827 22.677 ( -37.114 -0.000 -45.686) 58.861 24.978 ( 5.782 0.000 18.676) 19.551 25.500 ( -0.343 0.000 2.496) 2.519 25.594 ( 0.229 -0.000 -1.808) 1.823 25.685 ( -6.766 -0.000 -7.227) 9.900 25.895 ( 1.617 -0.000 0.611) 1.728 ======================= Grid point 33 (29/84) ======================= q-point: ( 0.32 -0.08 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.279 ( 7.620 -6.828 -11.596) 15.465 2.339 ( 12.075 15.944 -2.490) 20.155 2.600 ( 10.527 -7.514 -7.829) 15.119 2.696 ( 13.538 10.866 1.728) 17.445 3.167 ( 3.213 -4.567 13.435) 14.550 3.286 ( 1.632 -0.106 7.034) 7.222 3.696 ( 6.068 5.822 4.379) 9.481 3.902 ( -4.508 3.151 -3.575) 6.560 4.122 ( 9.946 -8.767 -5.945) 14.530 4.421 ( -5.127 -0.639 -9.323) 10.659 4.564 ( 8.157 -7.641 8.825) 14.241 4.743 ( -0.511 1.302 2.810) 3.139 6.477 ( 7.459 -12.934 8.561) 17.211 6.859 ( 19.556 -9.348 -1.513) 21.728 7.092 ( -2.073 4.755 1.881) 5.518 7.241 ( 14.676 14.601 -0.793) 20.717 7.476 ( 3.284 -4.210 -3.057) 6.152 7.546 ( 7.801 -1.396 -7.936) 11.216 7.905 ( 11.363 -2.391 7.659) 13.910 7.973 ( 12.918 4.990 2.238) 14.028 8.112 ( 18.812 -3.303 -5.834) 19.971 8.151 ( 12.964 0.516 -11.840) 17.564 8.609 ( 13.433 3.556 8.199) 16.134 8.670 ( -2.230 -8.663 6.280) 10.930 8.773 ( 15.806 4.940 -3.431) 16.912 9.016 ( 1.481 0.458 -3.717) 4.027 9.074 ( -3.434 -0.686 -2.224) 4.148 9.468 ( 4.277 10.348 -6.166) 12.783 9.796 ( 1.096 2.608 9.230) 9.654 9.820 ( 1.735 3.516 2.016) 4.409 9.865 ( -2.745 4.509 1.260) 5.428 10.138 ( -4.862 -2.187 -2.034) 5.705 10.302 ( 0.445 -4.743 4.537) 6.579 10.364 ( -7.823 -6.987 -0.374) 10.496 10.550 ( -2.684 0.167 -3.033) 4.053 10.624 ( -3.755 -8.345 5.668) 10.765 10.791 ( -7.273 -0.901 -0.989) 7.395 10.951 ( -8.026 4.132 -3.728) 9.767 11.097 ( 2.831 -3.276 1.718) 4.658 11.181 ( 1.160 1.437 4.629) 4.984 11.238 ( 7.121 2.739 -0.871) 7.679 11.318 ( 9.867 9.067 0.895) 13.430 11.390 ( -0.167 -0.916 -4.987) 5.073 11.520 ( 1.053 8.481 -2.074) 8.795 11.769 ( 3.527 -4.596 -2.194) 6.195 11.924 ( 4.601 4.652 0.106) 6.544 12.028 ( 3.068 -3.849 7.162) 8.690 12.145 ( -3.217 1.262 3.344) 4.809 12.262 ( 0.235 -8.748 1.571) 8.891 12.419 ( 3.378 0.045 -8.348) 9.005 12.578 ( 2.635 -5.627 -4.131) 7.461 12.728 ( 4.880 1.252 2.184) 5.491 12.951 ( -4.480 -4.766 1.231) 6.655 13.096 ( -3.484 1.815 -3.363) 5.172 13.241 ( -1.352 2.874 4.700) 5.673 13.388 ( -7.536 -0.866 -0.945) 7.644 13.491 ( -1.443 -0.644 -4.621) 4.884 13.535 ( 1.155 3.343 3.147) 4.735 13.709 ( -0.371 3.019 4.213) 5.196 13.855 ( -0.559 1.336 -1.007) 1.764 14.158 ( 0.948 -1.482 -0.364) 1.797 14.370 ( -3.382 0.793 1.629) 3.837 14.563 ( -3.716 -6.488 -2.595) 7.915 14.750 ( -4.446 -2.887 -1.055) 5.405 14.937 ( -2.736 -3.933 1.404) 4.993 15.158 ( -1.328 3.046 -2.099) 3.930 15.343 ( 2.580 1.961 3.255) 4.593 15.614 ( -4.242 7.554 -5.984) 10.530 15.792 ( -14.429 4.223 4.561) 15.711 15.982 ( -5.767 -6.619 -4.135) 9.704 16.024 ( -16.425 -2.524 -4.339) 17.175 16.142 ( -5.178 8.759 2.876) 10.574 16.433 ( 4.037 -2.987 5.259) 7.272 16.518 ( -2.763 -1.670 2.795) 4.270 16.725 ( 1.831 2.889 -1.851) 3.889 16.735 ( -9.204 2.826 -4.407) 10.589 17.149 ( -9.719 -0.458 2.244) 9.985 17.353 ( -9.687 0.570 -5.858) 11.334 17.615 ( -9.160 -3.258 -3.587) 10.363 17.791 ( -7.110 4.116 -5.384) 9.822 18.025 ( -3.672 0.233 9.856) 10.521 18.145 ( -6.252 0.783 6.803) 9.272 18.350 ( -3.834 -1.610 -2.309) 4.756 18.471 ( -1.894 -0.460 -3.985) 4.436 19.468 ( 22.194 -0.061 5.508) 22.867 19.587 ( 20.887 -6.891 -3.441) 22.262 20.759 ( 0.646 -11.438 4.786) 12.416 21.262 ( -2.621 18.580 -3.380) 19.066 22.247 ( 4.519 -2.815 1.669) 5.580 22.395 ( 9.078 3.538 -1.885) 9.924 23.698 ( -18.215 -17.010 1.540) 24.970 24.147 ( -17.635 13.821 -3.808) 22.727 25.549 ( -0.263 1.953 2.745) 3.379 25.648 ( 1.117 -0.682 -1.593) 2.061 25.707 ( 1.785 -1.049 1.771) 2.725 25.772 ( 0.356 -1.306 -1.122) 1.758 ======================= Grid point 34 (30/84) ======================= q-point: (-0.18 -0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( 24.681 7.967 -5.381) 26.487 2.235 ( 25.427 10.607 1.301) 27.582 2.794 ( 3.669 -4.602 0.340) 5.895 3.060 ( 19.302 10.254 -13.129) 25.496 3.211 ( -2.634 -2.549 -6.567) 7.521 3.571 ( 1.725 -14.210 -0.165) 14.315 3.836 ( -2.032 -6.838 5.844) 9.222 3.960 ( -5.287 -8.366 -0.238) 9.899 4.225 ( -2.138 1.279 11.735) 11.996 4.469 ( 4.211 5.448 6.327) 9.351 4.641 ( -4.842 0.507 -3.956) 6.273 4.669 ( -1.916 7.408 -0.632) 7.678 6.711 ( 4.841 8.389 0.570) 9.702 6.757 ( 10.642 10.231 -2.029) 14.901 6.895 ( -1.700 0.482 -10.657) 10.803 7.443 ( 19.141 5.674 9.608) 22.155 7.756 ( 4.116 -4.946 3.717) 7.431 7.832 ( 14.483 -2.376 -3.464) 15.080 7.956 ( 15.364 2.939 -5.767) 16.672 8.142 ( 4.598 1.797 10.393) 11.506 8.378 ( 6.535 7.040 -0.143) 9.607 8.560 ( 15.760 -5.469 3.170) 16.980 8.748 ( 0.332 -6.667 -8.587) 10.877 8.825 ( 18.567 -3.544 -4.706) 19.479 9.123 ( 13.019 5.695 2.747) 14.473 9.253 ( 1.697 -7.903 7.469) 11.005 9.437 ( 17.442 -5.073 1.460) 18.223 9.517 ( -0.507 -6.172 -6.624) 9.068 9.713 ( 5.665 3.981 2.487) 7.357 9.822 ( -3.044 -3.552 -0.659) 4.724 9.993 ( 6.087 1.127 0.158) 6.192 10.135 ( -6.441 2.713 4.983) 8.584 10.235 ( -1.438 -2.123 0.463) 2.606 10.354 ( -13.647 6.379 2.246) 15.230 10.446 ( -0.039 -1.482 -0.104) 1.486 10.469 ( -5.131 -2.809 0.361) 5.861 10.747 ( -0.470 -5.642 -6.367) 8.520 10.922 ( 0.883 1.049 -1.674) 2.164 11.043 ( 0.374 1.939 2.448) 3.146 11.257 ( 5.925 -3.732 1.439) 7.149 11.321 ( -2.216 -0.117 2.951) 3.692 11.437 ( -1.997 -1.165 -2.635) 3.505 11.481 ( -2.268 -5.029 -4.538) 7.144 11.636 ( -4.353 3.442 -0.075) 5.550 11.754 ( 17.085 -0.320 -1.565) 17.160 11.912 ( 4.712 -5.915 -5.703) 9.472 12.026 ( -5.236 -0.857 2.986) 6.088 12.151 ( -1.349 2.417 -2.865) 3.984 12.358 ( 2.023 1.959 3.836) 4.759 12.467 ( 5.119 2.672 1.838) 6.060 12.501 ( 1.967 5.701 7.375) 9.526 12.889 ( -6.504 -0.647 5.031) 8.248 12.960 ( -2.662 -1.099 -1.524) 3.258 13.205 ( 1.167 -0.835 1.335) 1.960 13.248 ( 5.104 -6.285 1.151) 8.177 13.308 ( 1.065 -0.013 -0.905) 1.398 13.427 ( -2.905 -2.391 0.516) 3.798 13.553 ( -5.406 -2.685 -2.732) 6.626 13.649 ( 4.976 -0.053 -4.244) 6.540 13.827 ( 2.074 -0.970 -3.487) 4.171 14.148 ( -4.899 6.101 1.024) 7.891 14.269 ( 5.525 1.095 2.635) 6.219 14.366 ( -10.040 9.529 6.135) 15.141 14.581 ( -0.518 1.258 -6.563) 6.703 14.681 ( -10.736 6.495 -3.433) 13.009 14.921 ( -7.841 0.306 -3.303) 8.514 15.233 ( -19.807 1.291 -3.593) 20.172 15.414 ( -1.009 -0.140 -3.627) 3.767 15.539 ( -25.362 -0.297 2.753) 25.513 15.626 ( 2.961 0.223 1.524) 3.337 15.713 ( -2.356 3.986 -1.726) 4.941 16.094 ( -1.507 -2.279 -2.982) 4.044 16.506 ( -0.359 0.212 -1.592) 1.645 16.527 ( 3.228 1.797 -2.167) 4.283 16.591 ( 0.693 -4.497 -3.126) 5.521 16.799 ( 4.831 3.037 1.595) 5.925 16.940 ( -7.780 -0.026 -2.237) 8.096 17.296 ( -6.201 -4.177 5.937) 9.547 17.477 ( -6.144 3.808 10.254) 12.546 17.589 ( -9.556 -2.385 3.611) 10.490 17.923 ( -4.645 0.307 -9.671) 10.733 18.049 ( -2.850 0.284 -11.954) 12.292 18.291 ( -4.914 2.574 5.645) 7.914 18.373 ( -2.671 -1.354 3.085) 4.300 19.983 ( 25.522 -1.505 2.504) 25.688 20.405 ( 8.148 -9.646 20.063) 23.706 20.640 ( -5.033 6.487 0.935) 8.264 21.239 ( -8.828 -15.937 -16.279) 24.432 22.292 ( 0.495 6.043 2.557) 6.580 22.579 ( -8.519 25.342 -6.961) 27.627 22.683 ( 16.699 -4.592 -2.579) 17.510 24.361 ( -18.079 -15.835 5.606) 24.678 25.511 ( -0.295 0.764 -3.755) 3.843 25.546 ( 0.154 3.695 0.794) 3.782 25.643 ( 0.267 2.237 -0.525) 2.313 25.935 ( -1.570 -2.343 3.444) 4.452 ======================= Grid point 35 (31/84) ======================= q-point: (-0.68 -0.08 0.48) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.574 ( 11.640 -2.677 -1.783) 12.076 2.939 ( 11.711 1.883 -6.614) 13.581 3.036 ( 1.123 0.448 8.367) 8.454 3.200 ( 7.666 3.448 -8.018) 11.617 3.433 ( 0.599 3.878 -2.219) 4.508 3.566 ( -2.063 3.917 1.052) 4.550 3.584 ( -2.498 4.846 4.630) 7.153 3.786 ( -2.852 5.887 -2.799) 7.115 4.227 ( 2.722 -6.195 7.466) 10.076 4.331 ( 5.924 -6.580 -0.878) 8.898 4.444 ( -6.809 -2.838 1.772) 7.586 4.693 ( -0.115 -6.020 -1.128) 6.126 6.671 ( 10.958 -6.987 7.144) 14.830 6.844 ( -4.821 -6.192 7.695) 10.991 7.219 ( -2.936 -5.900 -0.134) 6.592 7.476 ( -0.491 -4.835 -22.801) 23.313 7.947 ( 20.482 -4.189 -0.821) 20.922 8.115 ( 13.038 -1.864 0.765) 13.193 8.358 ( 6.212 1.980 5.778) 8.712 8.404 ( -1.164 7.903 -6.605) 10.365 8.557 ( 16.951 3.757 0.423) 17.367 8.778 ( 6.171 9.195 -2.154) 11.282 8.919 ( -5.054 1.027 2.327) 5.658 9.090 ( 1.741 8.760 3.975) 9.776 9.208 ( -1.287 -2.141 -5.138) 5.713 9.362 ( 14.831 4.548 2.566) 15.724 9.459 ( 3.262 -5.387 -1.315) 6.433 9.579 ( -0.383 3.759 4.773) 6.088 9.660 ( -1.464 -1.282 -6.651) 6.930 9.773 ( 8.694 -5.954 3.254) 11.028 9.967 ( -2.828 -0.558 1.594) 3.294 10.006 ( 15.845 0.616 1.948) 15.976 10.053 ( 6.108 -2.913 7.213) 9.891 10.221 ( -3.851 -4.483 -0.042) 5.910 10.316 ( -0.828 1.692 6.347) 6.621 10.672 ( 3.245 0.846 -4.406) 5.537 10.770 ( -6.334 1.803 -3.455) 7.437 10.819 ( -6.872 2.302 0.904) 7.303 11.048 ( -15.509 0.269 -0.313) 15.514 11.173 ( -7.328 -0.745 -2.302) 7.717 11.297 ( 11.739 9.354 3.807) 15.485 11.475 ( -7.897 3.072 0.014) 8.474 11.600 ( 2.847 -3.745 0.998) 4.809 11.707 ( 4.749 -0.572 -2.849) 5.567 11.758 ( -0.181 -2.326 -2.875) 3.702 12.031 ( 2.315 0.330 4.783) 5.324 12.234 ( 1.777 4.500 -2.846) 5.614 12.293 ( 2.881 0.924 -7.639) 8.216 12.336 ( 12.535 0.057 1.767) 12.659 12.393 ( -8.757 -1.212 -5.336) 10.326 12.584 ( -3.003 1.786 2.286) 4.175 12.719 ( 3.811 -0.517 3.956) 5.517 12.914 ( 12.214 -6.024 5.242) 14.592 13.079 ( 11.924 -1.375 4.331) 12.760 13.308 ( -1.684 7.060 2.369) 7.635 13.343 ( 9.020 4.981 -0.028) 10.304 13.508 ( -0.698 0.331 -2.958) 3.057 13.548 ( -0.075 2.560 -4.590) 5.256 13.870 ( -10.333 -2.850 3.597) 11.306 13.905 ( -3.893 -0.053 -5.570) 6.796 13.937 ( 3.972 -1.856 2.055) 4.842 14.214 ( -3.910 -3.821 0.464) 5.486 14.315 ( -7.041 -6.982 3.899) 10.655 14.320 ( -1.011 -7.164 -0.323) 7.242 14.707 ( -22.160 1.268 -1.768) 22.267 14.808 ( -10.900 1.447 -5.367) 12.236 14.910 ( -16.010 0.502 -3.518) 16.400 15.009 ( -14.798 0.664 -0.478) 14.821 15.618 ( -0.906 0.180 -2.454) 2.622 15.645 ( 2.216 0.844 0.152) 2.377 15.681 ( -0.255 -0.721 1.882) 2.032 16.144 ( -7.330 6.326 -3.799) 10.401 16.460 ( 1.320 -1.664 4.804) 5.252 16.673 ( 7.885 0.937 0.221) 7.943 16.705 ( 8.800 -0.682 3.089) 9.351 16.854 ( -4.934 1.386 5.689) 7.657 16.959 ( 2.324 -1.115 -1.553) 3.009 17.005 ( -7.023 2.325 -2.478) 7.802 17.218 ( -4.974 -5.672 -9.733) 12.314 17.488 ( -8.876 3.319 -8.641) 12.824 17.803 ( -2.228 -3.766 13.372) 14.070 18.068 ( -2.865 2.430 8.743) 9.516 18.148 ( -2.087 -1.872 -4.349) 5.174 18.361 ( -2.096 0.740 -4.926) 5.404 20.100 ( 11.246 -3.775 6.934) 13.741 20.231 ( 15.604 -2.328 3.947) 16.263 20.680 ( 3.623 -0.893 -2.064) 4.264 21.413 ( -14.501 20.294 -7.187) 25.958 22.277 ( 2.772 -8.892 0.699) 9.340 22.529 ( -10.419 -23.258 -0.005) 25.486 23.162 ( 19.363 9.151 -2.400) 21.550 23.854 ( -18.166 15.936 1.469) 24.210 25.517 ( -0.507 -7.320 0.504) 7.355 25.588 ( -0.957 -0.653 -1.953) 2.270 25.698 ( 0.941 1.432 1.620) 2.358 25.742 ( -0.143 0.243 1.440) 1.467 ======================= Grid point 36 (32/84) ======================= q-point: (-0.18 -0.08 0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.816 ( -4.389 3.273 -6.424) 8.441 2.889 ( 4.540 -3.336 -7.475) 9.360 3.135 ( 1.155 2.195 7.364) 7.771 3.191 ( 0.574 -2.207 5.689) 6.129 3.308 ( 6.504 3.644 -2.999) 8.036 3.440 ( -1.834 -8.476 -3.671) 9.417 3.546 ( 0.520 1.067 8.633) 8.714 3.644 ( -5.970 -7.224 7.307) 11.883 4.319 ( 7.347 5.262 -9.660) 13.228 4.397 ( -6.478 -1.541 -11.096) 12.940 4.659 ( -5.821 6.716 5.889) 10.662 4.727 ( 4.403 0.504 5.245) 6.867 6.903 ( 2.335 5.634 -10.473) 12.119 6.947 ( -3.173 2.278 -9.614) 10.377 7.386 ( 1.677 11.960 10.732) 16.157 7.545 ( -1.428 -2.433 19.412) 19.616 8.179 ( 2.870 4.707 -3.003) 6.278 8.206 ( 0.654 1.947 -2.612) 3.323 8.320 ( -0.338 -6.070 -6.853) 9.161 8.422 ( -8.058 -9.886 -0.388) 12.760 8.624 ( 12.296 5.781 -0.302) 13.591 8.740 ( 11.421 -3.965 -1.492) 12.182 8.836 ( -5.566 -1.457 6.455) 8.647 8.893 ( -11.920 -5.500 3.926) 13.702 9.352 ( -3.162 6.472 -1.350) 7.328 9.438 ( -0.929 4.692 -3.665) 6.026 9.494 ( 13.642 0.670 0.926) 13.690 9.624 ( -10.983 -5.168 -5.588) 13.362 9.695 ( -2.661 1.934 4.517) 5.588 9.764 ( 6.208 -3.598 2.009) 7.451 9.875 ( -0.458 -7.248 -1.073) 7.341 9.929 ( -2.487 -10.048 0.277) 10.354 10.318 ( 3.504 4.184 -2.231) 5.896 10.329 ( -7.453 2.074 -1.420) 7.865 10.501 ( 9.547 -0.595 3.811) 10.296 10.524 ( -12.463 -1.663 3.169) 12.967 10.744 ( -5.894 6.646 -4.015) 9.748 10.811 ( 9.883 5.079 -4.339) 11.929 10.914 ( 10.511 1.015 -0.758) 10.587 11.031 ( -8.568 -4.068 1.518) 9.605 11.341 ( -0.062 0.123 -3.624) 3.627 11.356 ( -4.909 -0.851 -2.129) 5.418 11.560 ( 1.325 -0.232 7.740) 7.856 11.609 ( 5.103 -4.844 7.139) 10.023 11.913 ( -2.064 6.638 -8.136) 10.701 12.063 ( 5.361 -5.266 -5.989) 9.610 12.171 ( 8.857 5.876 3.325) 11.137 12.314 ( -13.451 -2.598 2.678) 13.958 12.417 ( -2.427 3.667 1.849) 4.771 12.443 ( 5.881 0.248 2.309) 6.323 12.539 ( -8.224 -6.502 0.542) 10.498 12.574 ( 3.922 -7.500 1.710) 8.634 13.181 ( -3.709 1.724 -5.642) 6.969 13.195 ( 0.939 0.022 -6.760) 6.825 13.362 ( -1.603 1.214 2.974) 3.590 13.396 ( 4.358 -2.320 2.476) 5.523 13.600 ( -6.380 1.679 -0.569) 6.622 13.610 ( 13.688 1.334 -0.545) 13.764 13.647 ( 6.894 0.929 -0.649) 6.987 13.692 ( -12.678 -2.753 1.312) 13.040 14.139 ( -9.729 1.287 -1.907) 9.997 14.163 ( 8.190 -1.059 -2.451) 8.614 14.273 ( -2.586 5.445 3.952) 7.208 14.341 ( 3.418 -0.886 5.634) 6.650 14.616 ( -5.042 6.399 -0.044) 8.147 14.627 ( 2.681 6.714 0.238) 7.233 14.737 ( 5.834 -3.665 -1.774) 7.114 14.773 ( -0.724 -4.795 0.187) 4.853 15.625 ( 5.684 4.889 -1.981) 7.755 15.684 ( -4.177 2.943 -0.313) 5.120 15.768 ( -7.273 -3.160 0.420) 7.941 15.844 ( 6.918 -6.648 2.987) 10.049 16.558 ( -3.116 3.205 -6.487) 7.878 16.638 ( 4.085 -4.454 -6.970) 9.225 16.753 ( 3.238 2.915 1.722) 4.685 16.825 ( -2.065 -3.838 1.189) 4.517 16.982 ( -3.333 1.788 -1.189) 3.965 17.009 ( 0.355 -0.424 -2.770) 2.825 17.246 ( 1.363 4.032 12.098) 12.825 17.325 ( -1.221 -3.197 12.580) 13.037 17.876 ( -0.264 4.595 -11.574) 12.456 17.965 ( 0.679 -3.711 -11.096) 11.720 18.203 ( -1.677 3.638 5.069) 6.461 18.277 ( 1.459 -3.214 4.820) 5.974 20.442 ( -7.345 7.593 -3.047) 10.995 20.520 ( -4.774 1.757 -1.600) 5.333 20.674 ( 0.298 -3.461 1.670) 3.854 20.779 ( 10.422 -11.403 4.265) 16.026 22.686 ( -9.259 18.116 -3.581) 20.658 22.766 ( 10.798 18.178 -0.848) 21.160 23.139 ( 15.598 -16.337 -0.108) 22.587 23.238 ( -16.657 -18.217 3.526) 24.935 25.616 ( 1.057 3.184 -0.187) 3.360 25.635 ( 0.716 4.716 0.381) 4.785 25.662 ( 0.795 -1.127 -1.899) 2.346 25.736 ( -2.986 -3.889 1.443) 5.111 ======================= Grid point 37 (33/84) ======================= q-point: ( 0.32 -0.08 -0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.555 ( -20.663 0.000 7.625) 22.025 2.668 ( -24.123 0.000 -7.740) 25.334 2.915 ( -3.411 0.000 5.910) 6.823 3.131 ( 4.116 0.000 7.315) 8.394 3.280 ( -9.062 0.000 4.795) 10.252 3.752 ( 0.525 0.000 0.304) 0.607 3.855 ( 11.486 -0.000 -9.165) 14.694 3.952 ( -0.633 -0.000 -4.651) 4.694 4.211 ( 1.654 0.000 0.802) 1.838 4.408 ( -0.598 -0.000 -2.992) 3.051 4.489 ( 8.055 0.000 4.146) 9.060 4.512 ( 0.176 -0.000 -2.829) 2.835 6.715 ( 0.869 0.000 10.111) 10.148 6.732 ( -3.536 0.000 5.203) 6.291 6.902 ( -5.839 -0.000 -4.695) 7.492 7.723 ( 12.815 -0.000 -25.879) 28.878 7.866 ( -26.506 0.000 -2.183) 26.596 8.039 ( -12.062 0.000 3.706) 12.619 8.209 ( 1.502 0.000 3.116) 3.459 8.284 ( -23.773 0.000 4.830) 24.258 8.602 ( 9.826 0.000 19.285) 21.644 8.740 ( -26.484 0.000 -4.250) 26.823 8.986 ( -16.989 0.000 2.859) 17.228 9.112 ( 18.435 -0.000 -1.016) 18.463 9.266 ( -11.055 0.000 -2.700) 11.380 9.343 ( 13.327 -0.000 -1.353) 13.396 9.590 ( 20.526 -0.000 -3.069) 20.754 9.607 ( -32.579 0.000 -3.226) 32.739 9.758 ( -1.935 0.000 1.294) 2.328 9.828 ( 0.179 -0.000 -0.079) 0.196 10.038 ( 6.649 -0.000 -4.783) 8.191 10.135 ( -12.643 0.000 -4.942) 13.575 10.175 ( -16.620 0.000 -4.645) 17.257 10.348 ( -5.837 0.000 -1.926) 6.147 10.350 ( 9.499 0.000 4.771) 10.630 10.486 ( -3.428 0.000 0.991) 3.569 10.736 ( 14.405 -0.000 0.395) 14.411 10.962 ( -3.556 0.000 2.182) 4.172 10.997 ( 21.498 -0.000 -1.725) 21.568 11.101 ( 18.526 -0.000 -1.499) 18.587 11.260 ( -12.885 0.000 11.091) 17.001 11.489 ( 2.013 -0.000 0.724) 2.139 11.515 ( 0.414 0.000 5.200) 5.216 11.605 ( -10.799 0.000 -3.557) 11.370 11.792 ( 3.837 -0.000 -2.966) 4.850 12.031 ( 1.162 0.000 3.653) 3.833 12.135 ( 2.279 -0.000 -2.208) 3.173 12.194 ( -19.051 0.000 1.785) 19.135 12.348 ( 3.517 0.000 3.286) 4.813 12.485 ( 0.914 -0.000 -8.046) 8.098 12.714 ( -19.308 0.000 -4.221) 19.764 12.883 ( -10.351 -0.000 -7.174) 12.593 12.928 ( 3.213 0.000 3.631) 4.848 13.183 ( -2.304 0.000 2.743) 3.583 13.282 ( 8.026 0.000 3.288) 8.674 13.428 ( -1.294 0.000 2.026) 2.403 13.435 ( -3.947 0.000 0.024) 3.947 13.611 ( -5.526 -0.000 -5.435) 7.751 13.785 ( 9.716 -0.000 1.731) 9.869 13.846 ( -7.103 0.000 0.452) 7.117 13.977 ( 15.033 -0.000 -4.608) 15.724 13.981 ( -5.845 0.000 7.338) 9.381 14.325 ( 14.668 0.000 6.400) 16.003 14.379 ( -6.374 -0.000 -7.084) 9.529 14.627 ( -5.576 0.000 5.878) 8.102 14.668 ( 18.553 -0.000 -6.281) 19.587 14.859 ( 31.832 -0.000 -0.283) 31.833 14.913 ( 8.328 0.000 4.363) 9.402 15.454 ( -2.346 0.000 3.880) 4.534 15.606 ( 0.157 0.000 2.172) 2.177 15.826 ( -8.526 -0.000 -4.110) 9.465 16.054 ( 6.018 0.000 2.618) 6.563 16.511 ( -0.237 0.000 5.415) 5.421 16.586 ( -5.173 0.000 1.538) 5.396 16.752 ( -5.012 0.000 -0.333) 5.023 16.798 ( -3.165 0.000 1.661) 3.575 16.872 ( -0.779 0.000 1.053) 1.310 17.181 ( 10.412 -0.000 -2.744) 10.768 17.363 ( 0.709 -0.000 -14.865) 14.882 17.378 ( 12.183 -0.000 -3.548) 12.689 17.817 ( 4.505 0.000 10.718) 11.626 18.016 ( 0.331 0.000 9.191) 9.197 18.169 ( 3.599 -0.000 -3.458) 4.991 18.354 ( 0.994 -0.000 -3.904) 4.029 20.377 ( 1.651 -0.000 -2.758) 3.215 20.545 ( 1.299 -0.000 -16.931) 16.980 20.635 ( -23.078 0.000 -0.589) 23.086 21.174 ( 15.858 0.000 16.547) 22.919 22.161 ( -1.937 0.000 -0.463) 1.991 22.248 ( 3.111 0.000 2.088) 3.747 23.162 ( -21.411 0.000 1.944) 21.499 24.131 ( 20.766 -0.000 -3.001) 20.981 25.479 ( 1.157 0.000 2.172) 2.461 25.515 ( -1.312 -0.000 -3.017) 3.290 25.645 ( -1.459 0.000 3.062) 3.392 25.896 ( 3.937 -0.000 -3.131) 5.030 ======================= Grid point 38 (34/84) ======================= q-point: (-0.18 -0.08 -0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.364 ( -19.596 -12.311 -0.544) 23.149 2.495 ( -17.029 -9.970 1.041) 19.760 2.700 ( -8.192 0.573 1.273) 8.310 3.091 ( -4.960 9.862 0.950) 11.080 3.255 ( -4.866 -1.162 -6.562) 8.252 3.320 ( -2.518 2.693 -8.053) 8.857 3.721 ( 0.984 1.831 0.661) 2.181 3.831 ( 2.641 3.722 -0.565) 4.599 4.245 ( 3.688 -0.486 9.594) 10.290 4.501 ( -5.731 2.806 7.767) 10.052 4.651 ( 3.726 -0.186 -7.988) 8.816 4.782 ( -1.235 -2.608 0.754) 2.983 6.805 ( -3.522 3.143 -7.422) 8.796 6.941 ( -2.264 -6.201 -6.355) 9.163 7.067 ( -11.335 -17.334 4.691) 21.236 7.469 ( -15.275 5.516 5.533) 17.157 7.720 ( -13.857 -1.514 5.086) 14.838 7.754 ( -9.473 2.961 2.116) 10.148 8.097 ( -16.084 -9.220 -9.445) 20.806 8.188 ( -7.009 -0.946 4.075) 8.162 8.431 ( -11.262 6.553 7.086) 14.832 8.466 ( 1.073 -1.473 0.844) 2.008 8.679 ( -15.847 0.833 -2.521) 16.068 8.731 ( -3.760 1.475 -8.613) 9.513 9.011 ( 0.062 11.553 2.842) 11.898 9.179 ( -12.475 2.078 9.245) 15.666 9.382 ( -12.363 2.628 -5.033) 13.605 9.470 ( -14.620 -4.467 3.187) 15.616 9.729 ( 4.396 -0.063 -4.256) 6.119 9.831 ( -2.722 -0.912 2.489) 3.799 9.976 ( -8.601 3.885 -3.900) 10.212 10.097 ( 5.124 1.946 0.671) 5.521 10.249 ( 5.494 -0.255 3.296) 6.412 10.384 ( 1.143 -1.558 2.021) 2.796 10.419 ( -2.748 2.539 -7.861) 8.706 10.559 ( 12.095 -1.339 0.046) 12.169 10.599 ( 12.698 -0.971 0.504) 12.745 10.854 ( 0.292 5.727 5.812) 8.165 11.163 ( -1.183 -0.657 -1.723) 2.191 11.189 ( 0.464 -2.428 -1.638) 2.965 11.308 ( 2.854 3.834 0.038) 4.780 11.392 ( -0.476 -0.761 2.514) 2.669 11.441 ( -9.809 -1.405 -5.123) 11.155 11.599 ( -13.005 4.430 0.045) 13.739 11.822 ( 2.576 -8.036 -1.399) 8.554 11.925 ( -6.144 -1.404 -1.944) 6.595 11.973 ( 5.898 1.831 -2.012) 6.495 12.157 ( -0.454 1.732 -5.538) 5.821 12.368 ( 1.098 2.369 9.693) 10.039 12.457 ( -3.085 -1.027 8.778) 9.361 12.661 ( -5.386 -5.181 -2.219) 7.796 12.844 ( 4.765 2.832 -2.650) 6.145 12.940 ( 0.509 1.464 5.134) 5.363 13.041 ( -0.737 8.229 6.302) 10.391 13.235 ( -0.969 -0.020 -4.210) 4.320 13.333 ( 1.793 2.861 -3.414) 4.802 13.370 ( 4.748 -2.178 -4.232) 6.723 13.505 ( 2.689 -0.088 2.181) 3.464 13.710 ( -6.181 -3.254 -3.807) 7.956 13.838 ( -2.360 -1.777 -1.319) 3.236 14.183 ( 4.151 1.179 1.429) 4.546 14.296 ( -0.483 -1.077 3.524) 3.716 14.572 ( 5.106 -3.379 1.228) 6.244 14.607 ( 1.785 -4.646 0.179) 4.981 14.808 ( 10.624 -2.951 -7.133) 13.132 14.943 ( 8.201 -3.638 2.239) 9.247 15.265 ( 19.666 -2.024 -3.486) 20.075 15.397 ( 7.072 1.652 -1.434) 7.403 15.525 ( 13.813 -0.205 1.949) 13.951 15.626 ( 4.579 0.345 4.816) 6.654 15.867 ( 3.274 -9.776 -2.490) 10.606 16.017 ( 4.603 5.085 -1.996) 7.143 16.497 ( -1.073 0.815 -1.441) 1.973 16.516 ( 0.276 0.669 -1.761) 1.904 16.591 ( -3.614 -1.804 -5.662) 6.955 16.836 ( -6.655 -0.741 4.071) 7.837 16.946 ( 8.258 -0.750 -2.702) 8.721 17.215 ( 7.267 3.463 4.905) 9.426 17.527 ( 6.489 1.498 7.482) 10.016 17.551 ( 9.399 -1.401 7.715) 12.241 17.950 ( 2.863 -2.052 -9.641) 10.264 18.033 ( 4.264 1.456 -12.185) 12.991 18.317 ( 3.029 1.785 3.892) 5.245 18.370 ( 4.807 -2.403 4.472) 6.992 19.940 ( -22.066 2.546 -0.747) 22.225 20.173 ( -14.542 11.196 8.401) 20.185 20.841 ( 5.591 -12.873 1.870) 14.159 20.962 ( 4.839 11.021 -6.610) 13.732 22.432 ( -5.780 -7.526 1.507) 9.608 22.533 ( -12.848 7.616 -1.442) 15.005 23.151 ( 14.497 -25.989 -7.158) 30.608 23.955 ( 17.884 21.613 7.104) 28.938 25.529 ( -1.127 -1.061 -3.661) 3.975 25.617 ( -0.189 -2.838 0.570) 2.901 25.699 ( 0.619 -2.600 -0.364) 2.697 25.861 ( 1.389 4.790 2.598) 5.624 ======================= Grid point 39 (35/84) ======================= q-point: ( 0.32 -0.08 -0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( -26.972 12.332 5.220) 30.114 1.724 ( -23.915 17.751 9.325) 31.209 2.535 ( -28.902 17.665 19.323) 38.996 2.768 ( -0.867 -5.146 -4.511) 6.899 3.221 ( -1.678 -7.371 0.044) 7.560 3.541 ( -1.201 -11.995 2.077) 12.233 3.849 ( -0.185 -3.527 -6.987) 7.829 4.087 ( 6.426 -11.272 1.745) 13.092 4.208 ( -3.908 2.403 -10.747) 11.685 4.397 ( -2.613 4.533 -6.222) 8.129 4.667 ( -2.260 3.822 4.112) 6.051 4.722 ( 3.353 -1.282 -2.464) 4.354 6.429 ( -15.208 9.408 0.204) 17.884 6.689 ( -0.739 8.779 6.417) 10.899 6.952 ( 0.732 0.249 -0.123) 0.783 7.144 ( -9.313 1.914 -7.549) 12.140 7.528 ( -9.959 -4.705 3.508) 11.560 7.594 ( -14.549 0.360 5.282) 15.483 7.701 ( -6.143 0.983 8.826) 10.798 7.945 ( -12.705 3.507 -7.882) 15.357 8.161 ( -18.631 -1.108 -8.214) 20.391 8.345 ( -10.879 -3.135 -4.351) 12.129 8.472 ( -8.923 -0.226 3.576) 9.616 8.665 ( -6.342 8.896 -3.552) 11.488 8.882 ( -22.488 -3.967 -0.021) 22.835 9.020 ( -3.832 -0.429 -0.841) 3.946 9.227 ( 0.158 -10.224 -4.087) 11.012 9.554 ( 0.571 -9.123 6.364) 11.138 9.722 ( 2.945 2.769 5.445) 6.782 9.877 ( -0.908 0.104 8.338) 8.388 9.891 ( 0.808 -5.213 3.567) 6.368 10.224 ( 3.139 2.374 -7.048) 8.073 10.267 ( 1.997 -1.969 -5.299) 5.995 10.499 ( 4.764 -4.138 -4.152) 7.553 10.600 ( 6.478 5.971 -5.531) 10.402 10.622 ( 9.465 1.405 -1.406) 9.671 10.764 ( 0.871 3.591 5.741) 6.827 10.935 ( -0.094 2.562 3.677) 4.482 11.002 ( -0.066 -1.672 -1.624) 2.331 11.111 ( -6.560 -3.765 3.259) 8.236 11.257 ( -6.634 -1.693 1.873) 7.098 11.442 ( -9.439 -1.870 -2.190) 9.869 11.510 ( 0.810 -5.169 3.601) 6.351 11.570 ( 3.140 -6.424 -2.083) 7.448 11.630 ( -4.599 0.167 -1.796) 4.940 11.789 ( -3.707 0.554 5.848) 6.946 12.075 ( -3.854 1.944 1.494) 4.568 12.170 ( 2.224 3.246 -2.144) 4.481 12.357 ( 1.921 5.999 -2.409) 6.744 12.416 ( 1.147 1.092 -2.279) 2.775 12.565 ( 5.197 -0.310 -13.121) 14.116 12.987 ( 0.859 -2.097 -6.087) 6.495 13.036 ( 2.662 -4.609 -0.300) 5.331 13.128 ( -1.056 -3.616 -0.573) 3.811 13.216 ( -0.096 -0.822 0.903) 1.225 13.303 ( 0.511 3.080 3.000) 4.330 13.419 ( -2.928 1.884 -2.588) 4.339 13.609 ( 0.229 -2.427 5.128) 5.678 13.667 ( 5.864 -1.861 4.497) 7.621 13.831 ( 1.576 -2.749 2.210) 3.863 14.147 ( -5.311 0.610 4.888) 7.244 14.262 ( 5.710 7.300 -3.243) 9.819 14.523 ( 4.705 6.790 -6.024) 10.224 14.615 ( 2.281 2.062 4.132) 5.151 14.863 ( 7.364 6.922 -1.280) 10.187 15.039 ( 3.735 1.520 4.577) 6.100 15.390 ( 0.399 -1.317 7.957) 8.075 15.559 ( -0.645 -2.266 -1.610) 2.853 15.642 ( 11.968 2.409 5.008) 13.195 15.677 ( 3.678 9.099 5.656) 11.328 16.054 ( 7.536 0.368 -2.441) 7.930 16.161 ( 13.963 -0.544 0.639) 13.989 16.444 ( -2.657 1.714 0.832) 3.269 16.607 ( 6.701 -1.422 3.301) 7.604 16.620 ( 3.627 -1.349 1.922) 4.321 16.708 ( -3.893 0.767 -0.669) 4.024 17.152 ( 12.332 0.050 1.640) 12.440 17.412 ( 5.353 -2.854 -8.485) 10.431 17.598 ( 5.708 4.365 -4.118) 8.283 17.767 ( 7.627 -3.368 -1.516) 8.474 18.004 ( 2.725 -1.049 9.654) 10.086 18.135 ( 5.478 2.501 9.574) 11.310 18.381 ( 3.518 0.775 -5.928) 6.937 18.436 ( 3.334 0.062 -2.539) 4.192 19.464 ( -24.423 0.064 0.219) 24.424 20.131 ( -19.681 -16.403 -25.981) 36.488 20.738 ( 4.236 6.292 -3.371) 8.300 21.380 ( 4.863 -21.085 17.227) 27.659 22.288 ( -0.457 1.957 -3.038) 3.642 22.364 ( -12.410 -1.859 2.397) 12.775 22.859 ( 19.009 35.235 11.324) 41.606 24.694 ( 13.651 -15.522 -9.528) 22.760 25.531 ( 1.436 -0.698 5.857) 6.071 25.543 ( -0.025 3.239 -0.429) 3.268 25.643 ( 0.337 2.815 0.641) 2.907 25.923 ( -3.082 -3.099 -3.384) 5.528 ======================= Grid point 41 (36/84) ======================= q-point: ( 0.10 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( 0.000 33.991 -0.000) 33.991 0.714 ( 0.000 33.907 -0.000) 33.907 1.281 ( 0.000 59.514 -0.000) 59.514 2.895 ( -0.000 -6.042 0.000) 6.042 3.237 ( -0.000 -10.485 0.000) 10.485 3.446 ( -0.000 -10.913 0.000) 10.913 3.964 ( -0.000 -0.232 0.000) 0.232 4.085 ( -0.000 -1.731 0.000) 1.731 4.285 ( -0.000 -4.774 0.000) 4.774 4.396 ( 0.000 7.655 -0.000) 7.655 4.398 ( -0.000 -12.205 0.000) 12.205 4.886 ( -0.000 -4.121 0.000) 4.121 6.018 ( 0.000 9.137 -0.000) 9.137 6.643 ( 0.000 9.604 -0.000) 9.604 6.840 ( 0.000 0.457 -0.000) 0.457 7.217 ( -0.000 -9.703 0.000) 9.703 7.397 ( 0.000 10.577 -0.000) 10.577 7.425 ( 0.000 7.655 -0.000) 7.655 7.464 ( -0.000 -16.073 0.000) 16.073 7.633 ( -0.000 -3.734 0.000) 3.734 7.776 ( 0.000 0.633 -0.000) 0.633 7.919 ( 0.000 8.024 -0.000) 8.024 7.938 ( -0.000 -1.786 0.000) 1.786 8.202 ( -0.000 -2.867 0.000) 2.867 8.980 ( 0.000 2.122 -0.000) 2.122 9.117 ( 0.000 2.785 -0.000) 2.785 9.210 ( 0.000 7.920 -0.000) 7.920 9.432 ( -0.000 -8.157 0.000) 8.157 9.698 ( 0.000 3.918 -0.000) 3.918 9.825 ( -0.000 -14.974 0.000) 14.974 9.877 ( -0.000 -7.463 0.000) 7.463 10.475 ( 0.000 0.210 -0.000) 0.210 10.482 ( 0.000 0.769 -0.000) 0.769 10.493 ( 0.000 5.358 -0.000) 5.358 10.692 ( 0.000 2.176 -0.000) 2.176 10.732 ( -0.000 -9.578 0.000) 9.578 10.874 ( 0.000 2.373 -0.000) 2.373 10.941 ( -0.000 -0.908 0.000) 0.908 10.973 ( 0.000 8.038 -0.000) 8.038 10.973 ( -0.000 -0.842 0.000) 0.842 11.035 ( -0.000 -5.614 0.000) 5.614 11.088 ( 0.000 5.805 -0.000) 5.805 11.456 ( 0.000 10.267 -0.000) 10.267 11.537 ( -0.000 -7.898 0.000) 7.898 11.581 ( -0.000 -1.639 0.000) 1.639 11.793 ( -0.000 -9.067 0.000) 9.067 11.898 ( 0.000 0.816 -0.000) 0.816 12.240 ( 0.000 7.788 -0.000) 7.788 12.577 ( -0.000 -5.191 0.000) 5.191 12.750 ( -0.000 -3.988 0.000) 3.988 12.761 ( -0.000 -10.605 0.000) 10.605 12.968 ( -0.000 -6.062 0.000) 6.062 13.070 ( 0.000 2.962 -0.000) 2.962 13.140 ( 0.000 2.384 -0.000) 2.384 13.191 ( 0.000 2.739 -0.000) 2.739 13.238 ( -0.000 -3.110 0.000) 3.110 13.524 ( 0.000 3.491 -0.000) 3.491 13.550 ( -0.000 -2.446 0.000) 2.446 13.699 ( 0.000 1.211 -0.000) 1.211 13.815 ( 0.000 3.599 -0.000) 3.599 13.874 ( 0.000 1.005 -0.000) 1.005 14.450 ( -0.000 -1.084 0.000) 1.084 14.536 ( 0.000 9.407 -0.000) 9.407 14.699 ( 0.000 9.183 -0.000) 9.183 15.106 ( 0.000 0.281 -0.000) 0.281 15.180 ( -0.000 -2.178 0.000) 2.178 15.379 ( -0.000 -5.459 0.000) 5.459 15.594 ( -0.000 -1.965 0.000) 1.965 15.596 ( 0.000 11.424 -0.000) 11.424 15.894 ( 0.000 2.884 -0.000) 2.884 16.141 ( 0.000 1.136 -0.000) 1.136 16.375 ( -0.000 -2.419 0.000) 2.419 16.601 ( -0.000 -1.174 0.000) 1.174 16.675 ( -0.000 -1.341 0.000) 1.341 16.754 ( -0.000 -1.418 0.000) 1.418 17.253 ( -0.000 -1.385 0.000) 1.385 17.575 ( -0.000 -1.728 0.000) 1.728 17.616 ( -0.000 -0.186 0.000) 0.186 17.714 ( 0.000 4.107 -0.000) 4.107 17.980 ( 0.000 3.095 -0.000) 3.095 18.097 ( -0.000 -1.965 0.000) 1.965 18.383 ( 0.000 3.275 -0.000) 3.275 18.493 ( -0.000 -2.565 0.000) 2.565 18.519 ( -0.000 -0.853 0.000) 0.853 18.704 ( 0.000 4.019 -0.000) 4.019 18.785 ( -0.000 -2.031 0.000) 2.031 20.887 ( 0.000 5.033 -0.000) 5.033 21.191 ( -0.000 -9.857 0.000) 9.857 22.048 ( 0.000 2.568 -0.000) 2.568 22.333 ( -0.000 -2.370 0.000) 2.370 24.570 ( -0.000 -3.078 0.000) 3.078 24.623 ( 0.000 1.101 -0.000) 1.101 25.456 ( 0.000 1.831 -0.000) 1.831 25.545 ( 0.000 0.455 -0.000) 0.455 25.571 ( 0.000 1.262 -0.000) 1.262 25.665 ( -0.000 -2.091 0.000) 2.091 ======================= Grid point 42 (37/84) ======================= q-point: (-0.40 -0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( 7.732 -14.061 -26.182) 30.708 1.657 ( 11.962 -20.235 -23.314) 33.107 2.458 ( 18.901 -15.372 -28.977) 37.858 2.641 ( 2.272 7.036 4.622) 8.719 2.985 ( 8.449 13.591 11.284) 19.582 3.468 ( -0.060 2.144 12.776) 12.955 3.648 ( 6.435 -1.892 8.003) 10.442 3.946 ( 2.101 -0.186 7.131) 7.437 4.164 ( -1.166 9.379 3.929) 10.235 4.424 ( -5.676 -0.393 -5.253) 7.744 4.556 ( 1.762 -1.169 12.605) 12.781 4.744 ( 1.332 2.608 -5.855) 6.547 6.197 ( 5.233 -9.796 3.975) 11.796 6.501 ( 8.706 -5.671 17.070) 19.984 6.939 ( -0.509 -9.593 -11.723) 15.157 7.110 ( 5.117 0.600 -4.897) 7.108 7.275 ( 13.588 5.887 7.188) 16.461 7.446 ( 12.372 -0.226 -5.491) 13.538 7.630 ( 6.105 -1.199 1.031) 6.306 7.697 ( 0.034 -2.056 -2.075) 2.921 7.879 ( 5.986 -0.626 -3.145) 6.791 8.106 ( 1.462 11.699 5.091) 12.842 8.363 ( 11.456 2.774 -5.397) 12.963 8.456 ( 7.504 3.055 -5.904) 10.025 8.627 ( 2.809 -11.770 3.769) 12.674 8.924 ( -1.637 -2.703 0.452) 3.192 9.260 ( 0.733 11.008 -2.318) 11.273 9.609 ( -0.864 4.515 -1.278) 4.772 9.815 ( 5.583 8.184 0.500) 9.920 10.035 ( -2.124 2.673 -6.391) 7.246 10.085 ( -2.358 0.899 5.971) 6.482 10.132 ( -4.980 -3.689 -9.881) 11.664 10.235 ( -4.064 -10.584 4.570) 12.224 10.433 ( -4.178 3.428 14.760) 15.719 10.537 ( -3.468 -1.850 8.152) 9.050 10.661 ( 4.525 -1.049 0.979) 4.747 10.857 ( -2.890 -3.330 -5.522) 7.067 11.003 ( -3.625 1.790 -0.312) 4.055 11.056 ( 7.112 2.698 -2.023) 7.871 11.128 ( -1.942 2.776 -4.829) 5.899 11.191 ( 4.046 0.273 -7.184) 8.250 11.278 ( 4.531 3.717 -1.658) 6.090 11.493 ( 2.182 7.751 2.466) 8.421 11.583 ( -2.819 -5.612 0.144) 6.282 11.624 ( 0.123 8.074 -5.784) 9.933 11.779 ( 2.992 -5.280 -0.086) 6.070 11.979 ( 7.602 -2.283 -1.101) 8.013 12.095 ( -2.115 -9.795 8.964) 13.445 12.306 ( 0.753 1.267 7.719) 7.859 12.378 ( 1.685 -2.198 1.137) 2.994 12.449 ( -3.261 -1.420 8.490) 9.205 12.792 ( 5.060 5.636 5.664) 9.458 12.925 ( 0.186 -3.459 4.443) 5.634 13.176 ( -1.708 1.236 1.836) 2.796 13.337 ( 0.990 0.551 -2.982) 3.190 13.351 ( 0.359 0.062 -3.624) 3.643 13.509 ( -6.620 1.411 -8.688) 11.014 13.642 ( -1.138 5.490 -0.036) 5.606 13.784 ( 1.302 0.054 0.229) 1.323 13.923 ( -6.312 2.622 -4.450) 8.156 14.206 ( -3.536 -4.097 8.703) 10.249 14.352 ( -2.039 0.355 -10.817) 11.013 14.514 ( -2.238 -6.658 2.329) 7.400 14.669 ( 2.962 -2.084 -1.480) 3.913 14.853 ( -1.800 -8.412 6.200) 10.604 15.077 ( 4.435 -2.203 -1.051) 5.062 15.461 ( -0.432 3.704 3.232) 4.934 15.689 ( 0.001 -5.970 -7.409) 9.516 15.755 ( -3.224 7.938 -8.590) 12.132 16.147 ( -13.942 -6.290 -6.071) 16.456 16.215 ( -8.921 2.162 0.167) 9.181 16.345 ( -3.689 -0.258 -4.649) 5.940 16.410 ( -1.975 -1.656 3.972) 4.735 16.621 ( 5.162 0.798 0.784) 5.282 16.689 ( -3.977 0.110 5.100) 6.468 16.861 ( -6.190 1.480 -8.685) 10.767 17.330 ( -5.614 -2.278 4.408) 7.493 17.512 ( -10.482 1.385 -4.022) 11.312 17.791 ( -15.485 -1.699 -1.615) 15.662 17.933 ( -5.904 1.730 -2.861) 6.785 18.208 ( -1.535 1.968 -8.484) 8.843 18.300 ( -2.098 2.635 8.285) 8.944 18.365 ( -3.281 -3.529 -5.642) 7.420 18.436 ( -2.596 -1.569 4.098) 5.099 19.053 ( 18.037 0.115 -2.877) 18.266 19.179 ( 30.657 4.056 14.133) 34.000 20.679 ( -0.706 -6.504 8.503) 10.729 21.632 ( -0.374 22.959 -5.637) 23.644 22.206 ( 5.837 0.058 -2.621) 6.398 22.238 ( 0.886 0.246 3.317) 3.443 23.579 ( -26.167 -26.193 -5.733) 37.465 24.687 ( -1.608 8.485 4.268) 9.633 25.504 ( 1.264 -3.674 1.148) 4.051 25.609 ( 0.265 0.618 -0.519) 0.850 25.742 ( 0.283 1.557 -2.467) 2.931 25.792 ( -0.158 6.196 0.578) 6.225 ======================= Grid point 43 (38/84) ======================= q-point: ( 0.10 -0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( 19.527 20.984 -0.000) 28.664 2.032 ( 24.113 20.093 -0.000) 31.387 2.700 ( 0.251 -6.970 0.000) 6.974 2.874 ( 15.636 24.316 -0.000) 28.909 3.074 ( 2.801 -4.917 0.000) 5.659 3.169 ( 2.813 -17.562 0.000) 17.786 3.729 ( -3.185 -14.114 0.000) 14.469 3.901 ( -2.740 0.446 -0.000) 2.776 4.364 ( 8.216 -1.988 0.000) 8.453 4.584 ( 0.201 5.390 -0.000) 5.393 4.588 ( -0.593 -5.614 0.000) 5.645 4.666 ( 3.642 -4.094 0.000) 5.480 6.561 ( 12.953 0.151 -0.000) 12.953 6.856 ( -0.611 11.191 -0.000) 11.207 6.969 ( 0.710 7.210 -0.000) 7.245 7.145 ( 17.470 -10.928 0.000) 20.606 7.492 ( 14.776 2.881 -0.000) 15.055 7.628 ( 8.596 4.005 -0.000) 9.483 7.712 ( 4.840 8.193 -0.000) 9.515 8.026 ( 14.647 -5.767 0.000) 15.741 8.209 ( 19.756 -2.942 0.000) 19.973 8.320 ( 13.120 1.515 -0.000) 13.208 8.427 ( 6.996 -0.964 0.000) 7.062 8.752 ( 27.748 -1.820 0.000) 27.808 8.765 ( -13.564 -1.438 0.000) 13.640 9.062 ( 8.397 -0.078 -0.000) 8.397 9.193 ( -7.408 -10.777 0.000) 13.078 9.409 ( 4.061 8.366 -0.000) 9.299 9.627 ( 6.077 -4.937 0.000) 7.830 9.760 ( 2.563 3.888 -0.000) 4.657 9.793 ( 1.047 -1.971 0.000) 2.232 10.242 ( -8.464 -4.573 0.000) 9.620 10.334 ( -1.440 -1.702 0.000) 2.230 10.461 ( -8.131 1.251 -0.000) 8.227 10.603 ( -11.749 -3.110 0.000) 12.154 10.627 ( -1.749 -4.633 0.000) 4.952 10.918 ( -3.786 13.570 -0.000) 14.088 10.928 ( -4.593 -3.681 0.000) 5.886 11.004 ( 6.346 -1.594 0.000) 6.543 11.127 ( 1.241 4.155 -0.000) 4.336 11.179 ( 8.197 -3.263 0.000) 8.823 11.318 ( 11.937 -5.254 0.000) 13.042 11.376 ( -0.672 0.469 -0.000) 0.820 11.506 ( -4.155 -3.704 0.000) 5.566 11.763 ( 5.686 7.742 -0.000) 9.606 11.771 ( 4.548 3.790 -0.000) 5.920 12.050 ( 4.523 -2.483 0.000) 5.160 12.144 ( -9.414 -3.644 0.000) 10.094 12.443 ( 0.760 -6.068 0.000) 6.115 12.490 ( 1.993 3.374 -0.000) 3.918 12.653 ( -0.848 -2.848 0.000) 2.972 12.889 ( 4.870 -10.335 0.000) 11.425 12.972 ( -9.733 1.194 -0.000) 9.806 13.155 ( 0.288 -0.056 0.000) 0.294 13.161 ( 2.271 -2.558 0.000) 3.420 13.368 ( -0.117 5.467 -0.000) 5.468 13.449 ( -10.743 -3.179 0.000) 11.203 13.542 ( 3.921 4.286 -0.000) 5.809 13.589 ( -2.407 0.023 0.000) 2.407 13.800 ( -0.447 1.852 -0.000) 1.905 14.157 ( 7.435 2.651 -0.000) 7.894 14.352 ( -5.301 -0.921 0.000) 5.380 14.634 ( -2.567 3.940 -0.000) 4.702 14.828 ( -3.502 8.334 -0.000) 9.040 14.847 ( -9.778 -2.324 0.000) 10.050 15.116 ( -6.114 3.956 -0.000) 7.282 15.290 ( 4.301 -0.491 0.000) 4.329 15.567 ( -4.171 1.505 -0.000) 4.434 15.662 ( -10.049 3.858 -0.000) 10.764 15.852 ( -0.657 12.091 -0.000) 12.108 16.080 ( -3.824 -1.149 0.000) 3.993 16.147 ( -23.009 -1.858 0.000) 23.084 16.414 ( 4.973 -1.754 0.000) 5.274 16.544 ( -5.298 -2.104 0.000) 5.701 16.644 ( -10.125 4.916 -0.000) 11.255 16.739 ( 4.673 0.932 -0.000) 4.765 17.138 ( -12.037 -0.167 0.000) 12.039 17.433 ( -8.659 -2.398 0.000) 8.985 17.734 ( -3.503 -1.081 0.000) 3.666 17.765 ( -2.484 2.753 -0.000) 3.708 17.899 ( -3.476 2.020 -0.000) 4.020 18.044 ( -11.546 -0.554 0.000) 11.559 18.417 ( -3.142 -1.980 0.000) 3.714 18.488 ( -2.435 2.023 -0.000) 3.165 19.449 ( 24.009 -1.035 0.000) 24.031 19.905 ( 22.181 -19.620 0.000) 29.613 20.940 ( -1.050 -10.630 0.000) 10.682 20.965 ( -4.082 12.666 -0.000) 13.308 22.288 ( 9.269 -2.487 0.000) 9.597 22.354 ( 3.731 1.860 -0.000) 4.169 23.434 ( -21.262 26.308 -0.000) 33.826 24.406 ( -17.393 -19.646 0.000) 26.239 25.471 ( 0.109 1.385 -0.000) 1.389 25.615 ( 0.677 3.405 -0.000) 3.472 25.692 ( 1.103 1.215 -0.000) 1.640 25.871 ( 3.458 -4.486 0.000) 5.664 ======================= Grid point 44 (39/84) ======================= q-point: (-0.40 -0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( 22.223 -0.000 -4.533) 22.680 2.294 ( 23.370 -0.000 -16.146) 28.405 2.898 ( 7.492 -0.000 -5.233) 9.138 3.149 ( 11.584 -0.000 -4.634) 12.477 3.360 ( 0.622 -0.000 -4.774) 4.814 3.743 ( 2.928 -0.000 -1.512) 3.295 3.762 ( 4.783 0.000 11.466) 12.424 3.918 ( -8.819 0.000 7.190) 11.379 4.171 ( 1.308 0.000 3.942) 4.153 4.224 ( 0.423 0.000 5.473) 5.489 4.608 ( -6.430 0.000 -1.329) 6.566 4.611 ( -0.028 0.000 2.981) 2.981 6.485 ( 12.591 0.000 9.185) 15.585 6.803 ( 0.261 -0.000 -8.295) 8.299 7.125 ( -5.462 -0.000 -15.719) 16.641 7.267 ( 27.993 -0.000 1.144) 28.016 7.546 ( -9.554 0.000 19.302) 21.537 7.925 ( 10.322 -0.000 -3.588) 10.928 8.015 ( 11.845 -0.000 -8.871) 14.798 8.207 ( 22.495 -0.000 -2.292) 22.611 8.313 ( 2.212 -0.000 -8.502) 8.785 8.549 ( 26.620 -0.000 6.373) 27.373 8.832 ( 27.180 -0.000 1.180) 27.206 8.995 ( 17.116 -0.000 -0.693) 17.130 9.006 ( -5.675 0.000 -1.113) 5.783 9.297 ( -4.207 0.000 -0.042) 4.207 9.437 ( 25.837 -0.000 5.729) 26.465 9.640 ( -5.100 0.000 -1.765) 5.396 9.696 ( -16.384 0.000 -4.404) 16.966 9.835 ( 3.326 0.000 9.476) 10.043 9.955 ( 3.447 -0.000 -0.095) 3.449 9.971 ( -11.958 0.000 5.654) 13.227 10.186 ( -10.455 0.000 0.121) 10.456 10.203 ( 1.997 0.000 5.971) 6.296 10.452 ( -1.423 0.000 1.558) 2.110 10.588 ( -7.836 0.000 -0.941) 7.892 10.833 ( 23.465 -0.000 -2.189) 23.567 10.920 ( -5.216 0.000 -2.056) 5.607 11.119 ( 0.938 -0.000 -3.923) 4.033 11.171 ( -1.880 0.000 5.320) 5.643 11.330 ( -9.920 0.000 2.452) 10.218 11.498 ( 4.653 -0.000 -5.807) 7.442 11.591 ( -4.952 0.000 1.143) 5.082 11.676 ( -0.506 -0.000 -4.966) 4.991 11.789 ( 18.516 -0.000 -5.002) 19.180 11.944 ( -11.892 0.000 3.589) 12.422 12.091 ( 4.031 -0.000 0.263) 4.040 12.218 ( 22.052 -0.000 0.150) 22.052 12.231 ( -1.969 0.000 -0.512) 2.034 12.264 ( -2.836 0.000 1.892) 3.409 12.509 ( 2.961 -0.000 -4.368) 5.277 12.719 ( -7.705 0.000 7.196) 10.542 13.044 ( -8.836 0.000 1.256) 8.925 13.132 ( 2.664 0.000 8.348) 8.762 13.273 ( 7.879 -0.000 2.848) 8.378 13.372 ( 1.484 -0.000 -5.293) 5.497 13.395 ( 2.890 0.000 2.791) 4.018 13.609 ( -7.193 -0.000 -5.580) 9.103 13.765 ( 5.488 -0.000 -0.725) 5.536 13.924 ( -3.701 0.000 -0.187) 3.706 14.046 ( 3.467 -0.000 -3.704) 5.074 14.152 ( -11.149 0.000 4.296) 11.948 14.263 ( -2.117 -0.000 -3.085) 3.741 14.561 ( -6.482 0.000 6.936) 9.493 14.722 ( -0.865 -0.000 -8.913) 8.955 15.037 ( -9.685 -0.000 -6.899) 11.891 15.297 ( -24.268 0.000 -5.875) 24.969 15.484 ( -27.046 0.000 2.118) 27.129 15.518 ( 1.360 -0.000 -4.911) 5.095 15.624 ( 2.284 0.000 1.080) 2.526 15.725 ( -4.364 -0.000 -5.720) 7.194 16.197 ( 0.569 -0.000 -5.397) 5.427 16.464 ( 3.917 0.000 3.914) 5.538 16.555 ( -2.357 -0.000 -1.078) 2.592 16.660 ( 2.294 0.000 2.193) 3.173 16.802 ( 3.407 -0.000 -5.402) 6.387 17.021 ( -7.061 -0.000 -6.615) 9.675 17.167 ( -5.180 0.000 10.161) 11.405 17.311 ( -9.301 0.000 4.100) 10.165 17.627 ( -10.786 0.000 -3.718) 11.409 18.068 ( -5.202 0.000 9.569) 10.892 18.092 ( -5.097 -0.000 -8.099) 9.569 18.272 ( -1.540 -0.000 -7.757) 7.908 18.299 ( -2.787 0.000 6.477) 7.051 19.920 ( 22.274 -0.000 4.684) 22.761 20.090 ( 11.172 0.000 20.258) 23.134 20.571 ( -0.321 0.000 0.091) 0.334 21.873 ( -17.485 -0.000 -16.556) 24.079 22.083 ( 2.949 0.000 2.265) 3.718 22.383 ( -7.774 -0.000 -4.220) 8.845 22.795 ( 19.011 -0.000 -3.296) 19.294 24.454 ( -16.553 0.000 4.026) 17.035 25.448 ( 0.372 0.000 2.433) 2.461 25.574 ( -3.035 -0.000 -3.832) 4.889 25.655 ( 1.604 -0.000 -1.636) 2.291 25.869 ( -1.472 0.000 5.925) 6.105 ======================= Grid point 45 (40/84) ======================= q-point: ( 0.10 -0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.671 ( 5.287 -3.360 0.000) 6.264 2.810 ( 3.571 4.756 -0.000) 5.948 3.078 ( 8.857 -1.719 0.000) 9.023 3.174 ( 7.852 6.349 -0.000) 10.098 3.311 ( 10.220 5.558 -0.000) 11.633 3.327 ( 3.098 4.220 -0.000) 5.235 3.629 ( -5.794 -0.992 0.000) 5.878 3.815 ( -4.428 -0.339 0.000) 4.441 4.189 ( -1.399 -1.606 0.000) 2.130 4.383 ( -7.081 -1.904 0.000) 7.333 4.605 ( 5.104 -6.978 0.000) 8.646 4.810 ( 0.422 -3.031 0.000) 3.061 6.742 ( 7.500 -5.019 0.000) 9.025 6.873 ( -3.948 -3.969 0.000) 5.598 7.458 ( 3.773 -13.358 0.000) 13.881 7.779 ( 2.409 14.126 -0.000) 14.330 7.986 ( 8.710 -6.706 0.000) 10.992 8.101 ( 16.238 0.201 -0.000) 16.239 8.162 ( 10.698 -0.288 0.000) 10.702 8.308 ( -6.586 5.848 -0.000) 8.808 8.580 ( 17.440 -6.274 0.000) 18.534 8.725 ( 6.376 12.141 -0.000) 13.713 8.802 ( 0.807 3.528 -0.000) 3.619 8.852 ( 3.097 2.064 -0.000) 3.722 9.170 ( 15.469 6.447 -0.000) 16.759 9.432 ( 3.177 1.981 -0.000) 3.744 9.437 ( -7.641 -5.747 0.000) 9.561 9.554 ( 9.244 -3.764 0.000) 9.981 9.811 ( -6.128 -3.749 0.000) 7.184 9.837 ( 5.947 6.553 -0.000) 8.849 9.886 ( -1.133 -3.307 0.000) 3.496 9.995 ( -8.424 -1.777 0.000) 8.609 10.119 ( 6.578 -8.332 0.000) 10.616 10.194 ( 11.599 0.096 -0.000) 11.599 10.341 ( -10.793 -3.631 0.000) 11.387 10.661 ( 5.373 2.680 -0.000) 6.004 10.768 ( 11.924 8.650 -0.000) 14.731 10.776 ( -7.761 -1.470 0.000) 7.899 11.065 ( -14.629 0.412 -0.000) 14.635 11.111 ( 9.063 -1.725 0.000) 9.226 11.145 ( -9.952 3.012 -0.000) 10.398 11.492 ( -7.811 -2.567 0.000) 8.222 11.675 ( 11.586 -1.101 0.000) 11.638 11.680 ( -2.090 4.184 -0.000) 4.677 11.787 ( 3.705 -0.328 0.000) 3.719 12.038 ( 5.601 -2.745 0.000) 6.238 12.043 ( -1.077 10.225 -0.000) 10.282 12.247 ( 12.377 4.990 -0.000) 13.345 12.453 ( -7.630 -1.899 0.000) 7.863 12.461 ( 4.479 -2.665 0.000) 5.212 12.577 ( -10.930 -5.289 0.000) 12.142 12.734 ( -8.764 0.091 0.000) 8.765 12.906 ( 11.518 -1.119 0.000) 11.572 13.158 ( 19.717 -6.353 0.000) 20.715 13.182 ( -1.208 0.435 -0.000) 1.284 13.278 ( 8.924 1.511 -0.000) 9.051 13.470 ( 1.685 7.456 -0.000) 7.644 13.501 ( -3.377 2.457 -0.000) 4.176 13.869 ( -5.429 0.137 -0.000) 5.430 13.889 ( 7.983 0.959 -0.000) 8.041 13.995 ( -10.733 -1.941 0.000) 10.907 14.336 ( -2.909 -3.968 0.000) 4.920 14.415 ( -14.179 -3.313 0.000) 14.561 14.472 ( 4.219 -8.155 0.000) 9.182 14.688 ( -7.664 1.935 -0.000) 7.905 14.825 ( -23.108 1.727 -0.000) 23.172 14.896 ( -10.118 4.585 -0.000) 11.109 14.951 ( -18.724 3.221 -0.000) 18.999 15.567 ( 6.226 3.342 -0.000) 7.066 15.678 ( 2.371 -1.817 0.000) 2.988 15.738 ( -6.955 -5.507 0.000) 8.871 16.000 ( -5.017 9.445 -0.000) 10.695 16.448 ( 0.660 -1.445 0.000) 1.588 16.582 ( 3.861 2.915 -0.000) 4.838 16.692 ( 7.985 1.142 -0.000) 8.066 16.808 ( -3.418 -0.488 0.000) 3.453 16.997 ( 2.556 -0.812 0.000) 2.682 17.020 ( -6.591 -1.677 0.000) 6.801 17.508 ( -6.435 -5.058 0.000) 8.185 17.515 ( -7.497 2.902 -0.000) 8.039 17.702 ( 0.722 -3.830 0.000) 3.897 17.885 ( -2.823 4.639 -0.000) 5.430 18.244 ( -1.383 -3.200 0.000) 3.486 18.378 ( -3.616 2.176 -0.000) 4.220 20.172 ( 14.311 -8.071 0.000) 16.430 20.286 ( 12.758 -6.337 0.000) 14.246 20.735 ( -1.262 -2.255 0.000) 2.584 21.054 ( -9.841 18.558 -0.000) 21.006 22.487 ( 7.431 -12.060 0.000) 14.166 22.935 ( 15.575 13.835 -0.000) 20.832 23.001 ( -13.892 -16.619 0.000) 21.661 23.474 ( -16.432 14.351 -0.000) 21.817 25.581 ( 2.705 1.515 -0.000) 3.100 25.676 ( -2.094 -2.031 0.000) 2.917 25.694 ( -2.954 -6.354 0.000) 7.007 25.701 ( 1.329 2.951 -0.000) 3.236 ======================= Grid point 46 (41/84) ======================= q-point: (-0.40 -0.10 0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.908 ( -8.362 1.872 -9.966) 13.144 2.908 ( 8.362 1.872 9.966) 13.144 3.111 ( 6.464 -2.385 -9.322) 11.592 3.111 ( -6.464 -2.385 9.322) 11.592 3.385 ( 8.821 -0.509 -9.480) 12.959 3.385 ( -8.821 -0.509 9.480) 12.959 3.741 ( 1.387 -10.203 -5.425) 11.639 3.741 ( -1.387 -10.203 5.425) 11.639 4.361 ( 5.964 5.512 -7.445) 11.017 4.361 ( -5.964 5.512 7.445) 11.017 4.541 ( -5.616 5.506 -7.567) 10.914 4.541 ( 5.616 5.506 7.567) 10.914 6.944 ( -0.546 7.999 -4.310) 9.103 6.944 ( 0.546 7.999 4.310) 9.103 7.141 ( 7.810 4.805 -14.855) 17.457 7.141 ( -7.810 4.805 14.855) 17.457 8.161 ( -5.607 -0.349 -2.903) 6.324 8.161 ( 5.607 -0.349 2.903) 6.324 8.543 ( -19.804 -0.885 1.006) 19.849 8.543 ( 19.804 -0.885 -1.006) 19.849 8.716 ( -4.578 -4.920 -10.235) 12.244 8.716 ( 4.578 -4.920 10.235) 12.244 8.945 ( 0.233 -6.104 -2.108) 6.462 8.945 ( -0.233 -6.104 2.108) 6.462 9.234 ( -10.467 7.482 -3.022) 13.216 9.234 ( 10.467 7.482 3.022) 13.216 9.596 ( 6.944 -1.906 -6.351) 9.601 9.596 ( -6.944 -1.906 6.351) 9.601 9.811 ( -5.309 -3.276 -2.655) 6.780 9.811 ( 5.309 -3.276 2.655) 6.780 10.138 ( -9.047 -10.085 -0.250) 13.551 10.138 ( 9.047 -10.085 0.250) 13.551 10.276 ( 0.689 -0.223 -2.305) 2.416 10.276 ( -0.689 -0.223 2.305) 2.416 10.527 ( -11.334 -1.029 0.575) 11.396 10.527 ( 11.334 -1.029 -0.575) 11.396 10.608 ( -7.775 10.187 -0.801) 12.840 10.608 ( 7.775 10.187 0.801) 12.840 10.939 ( -6.014 3.417 -1.702) 7.123 10.939 ( 6.014 3.417 1.702) 7.123 11.468 ( -0.853 -2.881 -3.054) 4.284 11.468 ( 0.853 -2.881 3.054) 4.284 11.586 ( -1.027 -5.045 -8.080) 9.581 11.586 ( 1.027 -5.045 8.080) 9.581 11.937 ( -9.459 2.681 -3.354) 10.388 11.937 ( 9.459 2.681 3.354) 10.388 12.229 ( -0.294 3.234 -6.612) 7.367 12.229 ( 0.294 3.234 6.612) 7.367 12.412 ( -5.321 -2.502 -5.086) 7.774 12.412 ( 5.321 -2.502 5.086) 7.774 12.704 ( -10.164 -6.676 -2.206) 12.358 12.704 ( 10.164 -6.676 2.206) 12.358 13.248 ( -2.851 0.983 -4.882) 5.738 13.248 ( 2.851 0.983 4.882) 5.738 13.365 ( -3.519 -2.441 -5.839) 7.242 13.365 ( 3.519 -2.441 5.839) 7.242 13.544 ( -14.532 3.649 -0.312) 14.987 13.544 ( 14.532 3.649 0.312) 14.987 13.711 ( -6.088 -2.399 -1.435) 6.699 13.711 ( 6.088 -2.399 1.435) 6.699 14.107 ( -9.448 5.757 -0.177) 11.066 14.107 ( 9.448 5.757 0.177) 11.066 14.249 ( -9.153 -0.151 -1.859) 9.341 14.249 ( 9.153 -0.151 1.859) 9.341 14.477 ( -10.885 4.486 -2.084) 11.956 14.477 ( 10.885 4.486 2.084) 11.956 14.815 ( -5.055 -0.552 0.702) 5.133 14.815 ( 5.055 -0.552 -0.702) 5.133 15.594 ( 2.916 1.929 -2.355) 4.216 15.594 ( -2.916 1.929 2.355) 4.216 15.897 ( -9.139 -3.956 -3.492) 10.553 15.897 ( 9.139 -3.956 3.492) 10.553 16.637 ( -3.112 1.274 -6.658) 7.459 16.637 ( 3.112 1.274 6.658) 7.459 16.854 ( 1.603 -3.768 -5.013) 6.473 16.854 ( -1.603 -3.768 5.013) 6.473 16.972 ( -6.191 3.379 -2.785) 7.583 16.972 ( 6.191 3.379 2.785) 7.583 17.160 ( -6.008 -0.931 -8.635) 10.561 17.160 ( 6.008 -0.931 8.635) 10.561 17.988 ( 0.046 3.091 -9.555) 10.043 17.988 ( -0.046 3.091 9.555) 10.043 18.212 ( -0.235 -1.997 -8.314) 8.553 18.212 ( 0.235 -1.997 8.314) 8.553 20.388 ( -3.169 3.804 -5.477) 7.383 20.388 ( 3.169 3.804 5.477) 7.383 20.907 ( -17.141 -9.293 -7.590) 20.923 20.907 ( 17.141 -9.293 7.590) 20.923 22.376 ( -4.855 14.770 -1.250) 15.598 22.376 ( 4.855 14.770 1.250) 15.598 23.509 ( -19.508 -12.508 3.171) 23.390 23.509 ( 19.508 -12.508 -3.171) 23.390 25.536 ( -0.438 3.749 -1.705) 4.142 25.536 ( 0.438 3.749 1.705) 4.142 25.743 ( 2.583 -1.207 -3.387) 4.428 25.743 ( -2.583 -1.207 3.387) 4.428 ======================= Grid point 48 (42/84) ======================= q-point: ( 0.10 -0.10 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.539 ( -18.288 -4.950 0.000) 18.946 2.812 ( -12.266 -0.330 0.000) 12.270 2.856 ( -13.884 -3.742 0.000) 14.380 3.063 ( 1.602 -0.179 0.000) 1.612 3.253 ( -9.366 -3.841 0.000) 10.123 3.600 ( -0.130 12.709 -0.000) 12.710 3.832 ( 3.648 6.681 -0.000) 7.612 3.862 ( 3.861 8.737 -0.000) 9.552 4.300 ( 5.203 -5.810 0.000) 7.799 4.367 ( 8.649 4.529 -0.000) 9.762 4.611 ( 3.846 -10.747 0.000) 11.415 4.625 ( -3.916 -5.446 0.000) 6.708 6.679 ( 2.620 -4.947 0.000) 5.598 6.760 ( -3.278 -6.656 0.000) 7.419 7.071 ( -8.564 -11.467 0.000) 14.312 7.910 ( -8.754 6.199 -0.000) 10.727 7.965 ( -19.661 -5.109 0.000) 20.314 8.140 ( -11.344 2.894 -0.000) 11.708 8.161 ( 2.818 3.572 -0.000) 4.550 8.224 ( 7.130 -4.524 0.000) 8.444 8.321 ( -13.111 -5.611 0.000) 14.261 8.794 ( -1.579 9.916 -0.000) 10.041 8.863 ( -26.950 -6.351 0.000) 27.688 9.160 ( -4.618 12.466 -0.000) 13.294 9.171 ( 4.505 1.705 -0.000) 4.817 9.349 ( -3.928 0.048 0.000) 3.929 9.549 ( 18.382 3.583 -0.000) 18.728 9.607 ( -15.650 -0.028 0.000) 15.650 9.750 ( -13.174 0.014 0.000) 13.174 9.878 ( 14.892 -2.090 0.000) 15.038 10.102 ( 0.050 6.186 -0.000) 6.186 10.140 ( -4.974 -1.636 0.000) 5.236 10.195 ( 7.850 6.118 -0.000) 9.952 10.293 ( -15.434 -6.907 0.000) 16.908 10.372 ( -1.063 0.943 -0.000) 1.421 10.523 ( -5.162 -3.038 0.000) 5.989 10.740 ( -5.359 14.595 -0.000) 15.548 10.810 ( 13.929 -5.850 0.000) 15.107 10.900 ( 13.402 3.246 -0.000) 13.789 11.247 ( 6.448 -5.257 0.000) 8.319 11.279 ( 8.055 -5.405 0.000) 9.700 11.403 ( -3.803 1.782 -0.000) 4.199 11.524 ( 1.726 -2.470 0.000) 3.013 11.540 ( -12.477 4.175 -0.000) 13.157 11.898 ( -2.713 -2.849 0.000) 3.934 11.919 ( 7.653 4.694 -0.000) 8.978 12.133 ( -3.250 4.552 -0.000) 5.593 12.167 ( -18.424 0.917 -0.000) 18.447 12.351 ( 4.892 -7.276 0.000) 8.768 12.612 ( -0.038 0.977 -0.000) 0.978 12.751 ( 3.672 7.393 -0.000) 8.255 12.800 ( -21.605 -4.425 0.000) 22.054 13.004 ( 10.268 3.826 -0.000) 10.958 13.157 ( -10.006 -3.503 0.000) 10.602 13.252 ( 9.003 0.994 -0.000) 9.057 13.371 ( -4.385 3.644 -0.000) 5.702 13.390 ( -6.251 2.690 -0.000) 6.805 13.456 ( 2.005 5.998 -0.000) 6.325 13.804 ( -1.023 -1.009 0.000) 1.437 13.869 ( -13.717 0.889 -0.000) 13.746 14.036 ( 13.927 -1.011 0.000) 13.963 14.146 ( 12.345 -15.578 0.000) 19.876 14.356 ( 7.833 -8.258 0.000) 11.382 14.465 ( -8.005 0.893 -0.000) 8.054 14.541 ( -1.546 -0.569 0.000) 1.647 14.788 ( 23.065 -1.612 0.000) 23.122 14.837 ( 2.473 -0.148 0.000) 2.477 14.868 ( 28.806 -0.074 -0.000) 28.806 15.442 ( -2.946 -2.187 0.000) 3.669 15.630 ( 0.176 -4.619 0.000) 4.622 15.831 ( -7.837 3.390 -0.000) 8.539 15.994 ( 5.694 3.444 -0.000) 6.655 16.475 ( 0.582 -1.569 0.000) 1.674 16.563 ( -3.881 0.661 -0.000) 3.937 16.636 ( -5.047 3.732 -0.000) 6.277 16.852 ( -0.635 1.165 -0.000) 1.326 16.917 ( -3.968 -5.658 0.000) 6.911 17.159 ( 9.439 3.591 -0.000) 10.099 17.447 ( 10.451 0.131 -0.000) 10.452 17.572 ( 3.175 -2.053 0.000) 3.781 17.703 ( 3.818 -2.098 0.000) 4.356 17.858 ( -0.493 2.273 -0.000) 2.326 18.243 ( 4.209 -2.961 0.000) 5.146 18.368 ( 0.776 1.969 -0.000) 2.116 20.458 ( 8.567 -5.092 0.000) 9.966 20.546 ( -23.037 7.978 -0.000) 24.379 20.777 ( -0.884 10.755 -0.000) 10.791 20.810 ( 8.131 0.150 -0.000) 8.133 22.329 ( -0.845 -9.405 0.000) 9.443 22.392 ( 4.046 -19.018 0.000) 19.444 23.046 ( -19.666 8.967 -0.000) 21.614 24.008 ( 20.194 13.895 -0.000) 24.513 25.493 ( -0.711 -2.933 0.000) 3.018 25.569 ( -1.430 -1.439 0.000) 2.029 25.632 ( 0.389 -2.242 0.000) 2.276 25.902 ( 4.153 2.308 -0.000) 4.751 ======================= Grid point 49 (43/84) ======================= q-point: ( 0.60 -0.10 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.369 ( -16.602 9.986 1.597) 19.440 2.535 ( -12.599 -0.330 4.681) 13.445 2.731 ( -13.586 5.230 4.715) 15.303 3.025 ( -9.187 -16.639 -4.601) 19.556 3.347 ( -1.352 3.817 -0.462) 4.075 3.419 ( 0.241 -4.149 0.031) 4.156 3.724 ( 3.312 1.303 3.139) 4.746 3.797 ( 5.321 -5.095 -3.446) 8.133 4.213 ( -5.160 7.208 5.999) 10.703 4.341 ( -4.650 -3.822 -8.500) 10.415 4.723 ( 1.093 4.310 -2.927) 5.323 4.765 ( 1.033 0.609 1.503) 1.922 6.833 ( -8.148 11.833 -11.112) 18.163 6.986 ( -5.496 -0.314 9.706) 11.158 7.197 ( -2.782 4.642 12.554) 13.670 7.321 ( -8.046 -4.237 -8.762) 12.628 7.631 ( -12.819 6.038 -2.211) 14.341 7.761 ( -16.947 -7.148 1.410) 18.447 8.162 ( -8.898 6.715 2.751) 11.482 8.270 ( -11.327 5.975 2.909) 13.132 8.308 ( -12.726 -1.993 -3.644) 13.387 8.433 ( -8.364 -5.762 -1.120) 10.219 8.727 ( -6.090 -1.276 3.599) 7.189 8.829 ( -2.737 -10.510 0.287) 10.865 8.968 ( -11.647 1.951 -7.126) 13.793 9.041 ( -7.657 -4.575 1.630) 9.068 9.405 ( -18.016 2.639 -2.594) 18.392 9.493 ( -8.665 -5.236 4.919) 11.256 9.781 ( 3.985 1.472 0.025) 4.249 9.797 ( -1.125 1.056 -0.099) 1.547 9.978 ( 4.222 2.407 -6.650) 8.237 10.074 ( 2.889 -6.257 4.421) 8.188 10.215 ( -2.177 8.363 -5.092) 10.030 10.397 ( 1.749 -7.455 5.710) 9.552 10.456 ( 7.092 8.452 -8.345) 13.834 10.567 ( 0.035 7.732 5.811) 9.672 10.659 ( 10.000 -9.913 6.183) 15.379 10.736 ( 1.528 -7.968 -7.345) 10.944 11.150 ( 2.749 6.844 -1.817) 7.596 11.251 ( 2.089 -2.430 4.031) 5.150 11.281 ( -0.041 2.352 -4.761) 5.311 11.370 ( -2.581 -5.598 2.068) 6.502 11.508 ( -9.575 1.658 0.205) 9.720 11.617 ( -11.491 -6.519 2.972) 13.542 11.832 ( -2.359 5.831 -0.110) 6.291 11.950 ( 3.128 -3.742 0.494) 4.903 12.081 ( 3.478 4.583 8.935) 10.627 12.171 ( 2.737 -3.546 -8.962) 10.019 12.258 ( -4.146 3.222 -3.483) 6.301 12.336 ( -3.634 -4.278 3.656) 6.699 12.686 ( -8.473 9.577 -0.930) 12.822 12.851 ( 8.226 1.776 0.290) 8.421 12.886 ( -5.060 -5.815 -1.359) 7.828 12.957 ( 2.901 -5.357 -3.127) 6.848 13.305 ( 0.326 2.053 1.245) 2.423 13.312 ( 0.658 0.552 -3.203) 3.316 13.424 ( 1.427 1.483 0.344) 2.087 13.499 ( 4.762 -5.060 2.262) 7.307 13.800 ( -3.281 1.639 4.812) 6.050 13.828 ( -5.190 -0.954 -1.516) 5.490 14.184 ( 4.110 2.961 -4.817) 6.990 14.230 ( 3.644 -1.523 3.678) 5.397 14.528 ( 2.761 8.955 -3.140) 9.883 14.658 ( 1.229 -3.123 3.787) 5.060 14.839 ( 9.465 7.969 -3.001) 12.732 14.977 ( 9.735 -4.599 5.633) 12.151 15.335 ( 19.981 1.246 3.454) 20.315 15.388 ( 20.240 -3.640 -2.472) 20.713 15.523 ( 1.401 1.484 0.957) 2.254 15.564 ( 4.428 -2.017 -0.052) 4.866 15.894 ( 4.904 7.964 0.541) 9.368 16.057 ( 4.751 -6.870 2.058) 8.602 16.524 ( 1.007 -0.562 0.885) 1.453 16.527 ( -2.239 -0.986 -0.562) 2.510 16.680 ( -5.773 4.954 -1.047) 7.679 16.770 ( -5.433 -3.130 1.262) 6.396 17.034 ( 7.631 1.691 5.804) 9.736 17.085 ( 6.751 -2.922 -6.570) 9.863 17.427 ( 9.313 3.970 -3.374) 10.671 17.512 ( 9.693 -4.075 2.911) 10.911 18.086 ( 2.631 2.612 2.550) 4.500 18.153 ( 1.826 -3.576 -2.627) 4.798 18.250 ( 5.470 3.774 -2.949) 7.270 18.307 ( 4.444 -1.594 3.133) 5.666 19.958 ( -20.089 2.077 1.202) 20.232 20.011 ( -16.793 -2.893 -8.745) 19.154 20.800 ( 3.742 11.005 -2.559) 11.902 21.085 ( 5.947 -16.459 6.428) 18.644 22.395 ( -6.477 8.016 -2.298) 10.558 22.573 ( -12.476 -8.664 2.772) 15.440 23.289 ( 16.014 27.082 6.585) 32.144 23.823 ( 16.213 -23.993 -5.864) 29.545 25.592 ( 0.019 1.003 0.082) 1.006 25.607 ( -0.669 -0.195 2.097) 2.210 25.710 ( 0.926 5.179 0.875) 5.334 25.803 ( 1.037 -3.470 -3.576) 5.089 ======================= Grid point 50 (44/84) ======================= q-point: ( 0.10 -0.10 -0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( -31.324 0.000 0.000) 31.324 1.506 ( -34.541 0.000 0.000) 34.541 2.072 ( -41.018 0.000 0.000) 41.018 2.881 ( 2.300 -0.000 -0.000) 2.300 3.253 ( 4.294 -0.000 -0.000) 4.294 3.687 ( -4.093 0.000 0.000) 4.093 3.968 ( -0.715 0.000 0.000) 0.715 4.273 ( 5.347 -0.000 -0.000) 5.347 4.312 ( -2.319 0.000 0.000) 2.319 4.354 ( -5.039 0.000 0.000) 5.039 4.498 ( -0.279 0.000 0.000) 0.279 4.789 ( 6.722 -0.000 -0.000) 6.722 6.316 ( -16.909 0.000 0.000) 16.909 6.497 ( -3.168 0.000 0.000) 3.168 6.984 ( 12.706 -0.000 -0.000) 12.706 7.266 ( -18.153 0.000 0.000) 18.153 7.389 ( -2.947 0.000 0.000) 2.947 7.572 ( -9.013 0.000 0.000) 9.013 7.685 ( -17.667 0.000 0.000) 17.667 7.870 ( -10.509 0.000 0.000) 10.509 8.297 ( -24.314 0.000 0.000) 24.314 8.391 ( -11.039 0.000 0.000) 11.039 8.500 ( -25.375 0.000 0.000) 25.375 8.710 ( 13.818 -0.000 -0.000) 13.818 8.919 ( 8.613 -0.000 -0.000) 8.613 8.968 ( -32.797 0.000 0.000) 32.797 9.319 ( 1.196 -0.000 -0.000) 1.196 9.611 ( 1.945 -0.000 -0.000) 1.945 9.640 ( -19.134 0.000 0.000) 19.134 9.756 ( 11.232 -0.000 -0.000) 11.232 9.976 ( 1.800 -0.000 -0.000) 1.800 10.274 ( 4.157 -0.000 -0.000) 4.157 10.377 ( 3.534 -0.000 -0.000) 3.534 10.459 ( 5.623 -0.000 -0.000) 5.623 10.625 ( -0.598 0.000 0.000) 0.598 10.653 ( 8.781 -0.000 -0.000) 8.781 10.700 ( 10.648 -0.000 -0.000) 10.648 10.853 ( -1.257 0.000 0.000) 1.257 10.987 ( -0.527 0.000 0.000) 0.527 11.156 ( -10.441 0.000 0.000) 10.441 11.254 ( -9.112 0.000 0.000) 9.112 11.449 ( -9.658 0.000 0.000) 9.658 11.565 ( 2.363 -0.000 -0.000) 2.363 11.600 ( 4.775 -0.000 -0.000) 4.775 11.726 ( 7.476 -0.000 -0.000) 7.476 11.859 ( -14.719 0.000 0.000) 14.719 12.024 ( -5.028 0.000 0.000) 5.028 12.156 ( 0.110 -0.000 -0.000) 0.110 12.166 ( 5.231 -0.000 -0.000) 5.231 12.443 ( 5.876 -0.000 -0.000) 5.876 12.789 ( 8.561 -0.000 -0.000) 8.561 12.901 ( 3.803 -0.000 -0.000) 3.803 13.081 ( 2.994 -0.000 -0.000) 2.994 13.234 ( -3.269 0.000 0.000) 3.269 13.241 ( 3.135 -0.000 -0.000) 3.135 13.296 ( -1.913 0.000 0.000) 1.913 13.461 ( -5.659 0.000 0.000) 5.659 13.583 ( 2.919 -0.000 -0.000) 2.919 13.609 ( 1.029 -0.000 -0.000) 1.029 13.845 ( 0.709 -0.000 -0.000) 0.709 14.101 ( -9.889 0.000 0.000) 9.889 14.147 ( 9.340 -0.000 -0.000) 9.340 14.504 ( 2.105 -0.000 -0.000) 2.105 14.592 ( 1.927 -0.000 -0.000) 1.927 14.730 ( 12.009 -0.000 -0.000) 12.009 14.959 ( 3.497 -0.000 -0.000) 3.497 15.312 ( -3.306 0.000 0.000) 3.306 15.503 ( -2.076 0.000 0.000) 2.076 15.542 ( 14.364 -0.000 -0.000) 14.364 15.640 ( -2.196 0.000 0.000) 2.196 16.039 ( -3.923 0.000 0.000) 3.923 16.184 ( 24.029 -0.000 -0.000) 24.029 16.413 ( -1.643 0.000 0.000) 1.643 16.588 ( 6.408 -0.000 -0.000) 6.408 16.642 ( -3.540 0.000 0.000) 3.540 16.674 ( 0.469 -0.000 -0.000) 0.469 17.139 ( 13.107 -0.000 -0.000) 13.107 17.539 ( 5.797 -0.000 -0.000) 5.797 17.617 ( 1.906 -0.000 -0.000) 1.906 17.866 ( 3.554 -0.000 -0.000) 3.554 17.921 ( 1.848 -0.000 -0.000) 1.848 17.925 ( 9.323 -0.000 -0.000) 9.323 18.420 ( 4.943 -0.000 -0.000) 4.943 18.468 ( 2.461 -0.000 -0.000) 2.461 19.467 ( -25.766 0.000 0.000) 25.766 20.706 ( 5.864 -0.000 -0.000) 5.864 21.067 ( 2.167 -0.000 -0.000) 2.167 21.192 ( 5.778 -0.000 -0.000) 5.778 22.102 ( -1.525 0.000 0.000) 1.525 22.322 ( 1.754 -0.000 -0.000) 1.754 22.355 ( -15.345 0.000 0.000) 15.345 25.005 ( 19.445 -0.000 -0.000) 19.445 25.456 ( -0.630 0.000 0.000) 0.630 25.526 ( 0.290 -0.000 -0.000) 0.290 25.577 ( -0.711 0.000 0.000) 0.711 25.996 ( -2.145 0.000 0.000) 2.145 ======================= Grid point 52 (45/84) ======================= q-point: (-0.13 -0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( -0.000 -0.000 -34.648) 34.648 0.647 ( -0.000 -0.000 -35.855) 35.855 1.034 ( -0.000 -0.000 -56.448) 56.448 2.889 ( 0.000 0.000 6.841) 6.841 3.257 ( 0.000 0.000 10.072) 10.072 3.563 ( -0.000 -0.000 -0.556) 0.556 3.816 ( 0.000 0.000 15.506) 15.506 4.116 ( 0.000 0.000 9.920) 9.920 4.282 ( -0.000 -0.000 -7.555) 7.555 4.329 ( 0.000 0.000 0.422) 0.422 4.579 ( -0.000 -0.000 -10.856) 10.856 4.834 ( 0.000 0.000 10.899) 10.899 6.208 ( 0.000 0.000 4.218) 4.218 6.542 ( -0.000 -0.000 -11.615) 11.615 6.717 ( 0.000 0.000 15.453) 15.453 7.139 ( 0.000 0.000 9.197) 9.197 7.243 ( 0.000 0.000 6.674) 6.674 7.304 ( 0.000 0.000 2.298) 2.298 7.588 ( 0.000 0.000 2.425) 2.425 7.612 ( -0.000 -0.000 -0.483) 0.483 7.749 ( -0.000 -0.000 -3.933) 3.933 8.107 ( -0.000 -0.000 -22.628) 22.628 8.157 ( -0.000 -0.000 -12.277) 12.277 8.241 ( -0.000 -0.000 -1.481) 1.481 8.792 ( 0.000 0.000 23.464) 23.464 8.924 ( 0.000 0.000 3.079) 3.079 9.173 ( -0.000 -0.000 -4.867) 4.867 9.603 ( -0.000 -0.000 -5.168) 5.168 9.890 ( -0.000 -0.000 -19.024) 19.024 9.950 ( -0.000 -0.000 -3.590) 3.590 9.988 ( 0.000 0.000 3.975) 3.975 10.266 ( 0.000 0.000 14.436) 14.436 10.395 ( 0.000 0.000 5.798) 5.798 10.487 ( -0.000 -0.000 -0.297) 0.297 10.681 ( 0.000 0.000 12.897) 12.897 10.774 ( 0.000 0.000 6.204) 6.204 10.867 ( -0.000 -0.000 -10.197) 10.197 10.922 ( -0.000 -0.000 -6.843) 6.843 10.964 ( -0.000 -0.000 -1.556) 1.556 11.048 ( -0.000 -0.000 -8.728) 8.728 11.057 ( -0.000 -0.000 -6.126) 6.126 11.132 ( -0.000 -0.000 -0.037) 0.037 11.369 ( -0.000 -0.000 -5.419) 5.419 11.595 ( 0.000 0.000 1.242) 1.242 11.643 ( -0.000 -0.000 -2.057) 2.057 11.870 ( 0.000 0.000 1.380) 1.380 11.890 ( 0.000 0.000 3.960) 3.960 12.119 ( 0.000 0.000 7.450) 7.450 12.260 ( -0.000 -0.000 -1.578) 1.578 12.558 ( 0.000 0.000 7.246) 7.246 12.692 ( 0.000 0.000 17.715) 17.715 12.870 ( 0.000 0.000 2.349) 2.349 13.022 ( 0.000 0.000 8.675) 8.675 13.217 ( -0.000 -0.000 -5.842) 5.842 13.252 ( 0.000 0.000 1.922) 1.922 13.366 ( -0.000 -0.000 -17.321) 17.321 13.371 ( 0.000 0.000 6.479) 6.479 13.654 ( -0.000 -0.000 -6.515) 6.515 13.765 ( 0.000 0.000 1.548) 1.548 14.082 ( -0.000 -0.000 -5.003) 5.003 14.098 ( -0.000 -0.000 -10.966) 10.966 14.401 ( 0.000 0.000 8.004) 8.004 14.420 ( 0.000 0.000 0.058) 0.058 14.579 ( 0.000 0.000 0.187) 0.187 14.903 ( 0.000 0.000 4.989) 4.989 15.029 ( 0.000 0.000 5.197) 5.197 15.480 ( -0.000 -0.000 -2.921) 2.921 15.576 ( 0.000 0.000 3.916) 3.916 15.930 ( -0.000 -0.000 -2.276) 2.276 16.074 ( -0.000 -0.000 -18.184) 18.184 16.218 ( -0.000 -0.000 -8.726) 8.726 16.371 ( 0.000 0.000 2.227) 2.227 16.388 ( 0.000 0.000 1.411) 1.411 16.564 ( 0.000 0.000 7.336) 7.336 16.779 ( -0.000 -0.000 -2.375) 2.375 16.812 ( -0.000 -0.000 -4.914) 4.914 17.490 ( 0.000 0.000 10.423) 10.423 17.602 ( -0.000 -0.000 -1.305) 1.305 17.956 ( -0.000 -0.000 -1.272) 1.272 18.109 ( -0.000 -0.000 -11.213) 11.213 18.116 ( 0.000 0.000 0.802) 0.802 18.330 ( -0.000 -0.000 -4.037) 4.037 18.457 ( 0.000 0.000 6.311) 6.311 18.496 ( 0.000 0.000 3.837) 3.837 18.677 ( -0.000 -0.000 -1.426) 1.426 18.817 ( -0.000 -0.000 -1.204) 1.204 20.776 ( 0.000 0.000 6.496) 6.496 21.983 ( 0.000 0.000 2.494) 2.494 22.099 ( -0.000 -0.000 -2.635) 2.635 22.326 ( 0.000 0.000 3.487) 3.487 23.618 ( 0.000 0.000 0.216) 0.216 24.622 ( -0.000 -0.000 -2.532) 2.532 25.503 ( 0.000 0.000 2.425) 2.425 25.592 ( -0.000 -0.000 -1.799) 1.799 25.699 ( -0.000 -0.000 -1.250) 1.250 25.977 ( 0.000 0.000 1.214) 1.214 ======================= Grid point 53 (46/84) ======================= q-point: ( 0.38 -0.12 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( 6.059 16.953 2.434) 18.167 2.191 ( 4.973 2.796 -5.329) 7.807 2.403 ( 8.086 4.878 -3.176) 9.963 2.465 ( 7.728 -11.020 -12.692) 18.500 3.084 ( 4.257 -9.011 9.188) 13.555 3.273 ( -0.409 10.656 3.964) 11.376 3.582 ( 4.536 -3.501 -0.571) 5.759 3.916 ( 7.702 -11.544 3.656) 14.351 3.975 ( -1.334 5.307 -6.462) 8.468 4.338 ( 7.823 -4.346 10.507) 13.801 4.574 ( -5.297 -0.416 -4.484) 6.952 4.730 ( 1.934 3.698 -0.804) 4.250 6.355 ( 4.079 -12.131 9.550) 15.969 6.525 ( 12.036 -14.054 0.622) 18.514 6.953 ( 10.437 4.159 2.381) 11.484 7.110 ( 1.700 6.234 -1.233) 6.578 7.418 ( 3.529 9.903 1.107) 10.571 7.468 ( -0.364 -10.513 -8.079) 13.264 7.669 ( 12.419 -0.940 -1.196) 12.512 7.709 ( 7.779 2.623 3.450) 8.905 7.873 ( 4.774 3.389 -1.178) 5.971 7.941 ( 7.738 -1.681 -9.663) 12.493 8.337 ( 10.341 8.080 1.074) 13.168 8.396 ( 13.932 5.206 -0.721) 14.890 8.818 ( -7.197 -15.964 3.864) 17.932 9.057 ( -3.972 0.287 -2.059) 4.484 9.174 ( -1.711 -0.318 -7.143) 7.352 9.391 ( 2.722 13.487 -2.613) 14.005 9.680 ( 4.399 0.207 8.036) 9.163 9.882 ( -4.721 11.363 4.702) 13.172 9.986 ( -5.544 3.748 10.677) 12.600 10.199 ( -1.226 -0.514 -8.834) 8.933 10.270 ( 1.976 -5.651 1.220) 6.110 10.530 ( -7.040 -10.552 1.422) 12.765 10.577 ( -1.830 -6.712 -3.001) 7.577 10.719 ( -2.812 -8.259 4.089) 9.635 10.920 ( -5.207 4.003 -1.343) 6.703 10.976 ( 3.369 0.636 -2.738) 4.387 11.060 ( 6.972 0.394 0.271) 6.989 11.093 ( -0.353 6.719 -1.218) 6.838 11.156 ( 5.245 9.416 2.698) 11.111 11.190 ( -0.098 1.447 3.867) 4.130 11.343 ( 4.146 -1.052 -5.887) 7.276 11.542 ( -1.815 9.850 -6.191) 11.774 11.750 ( -2.382 -3.867 1.125) 4.679 11.857 ( 1.907 1.166 1.097) 2.489 11.964 ( 2.765 2.361 8.067) 8.849 12.107 ( 5.018 -7.794 -3.258) 9.826 12.275 ( -0.363 -11.421 6.384) 13.089 12.401 ( -1.252 -0.146 -2.087) 2.438 12.537 ( 1.447 -7.040 -4.650) 8.561 12.648 ( 2.781 0.909 1.768) 3.419 12.987 ( 0.126 -6.262 0.922) 6.331 13.147 ( -2.182 1.330 -1.853) 3.156 13.287 ( -0.852 4.180 -0.156) 4.269 13.435 ( 0.961 3.632 4.315) 5.721 13.486 ( -2.324 1.670 -7.131) 7.684 13.605 ( -0.935 3.228 -3.028) 4.524 13.723 ( -2.544 0.277 4.225) 4.939 13.941 ( -6.420 1.456 1.721) 6.804 14.122 ( 2.199 1.195 3.600) 4.384 14.425 ( -1.562 -0.128 2.530) 2.976 14.635 ( -3.355 -5.294 -3.222) 7.047 14.789 ( 1.404 -2.634 -6.279) 6.952 14.980 ( -2.531 -7.976 2.732) 8.803 15.138 ( 2.471 -1.182 -0.769) 2.845 15.309 ( 0.858 3.809 3.675) 5.362 15.660 ( -1.049 10.922 -7.174) 13.109 15.999 ( -2.959 -5.883 -1.367) 6.725 16.044 ( -4.887 0.956 3.395) 6.027 16.222 ( -6.481 6.457 4.476) 10.185 16.281 ( -0.850 2.227 3.175) 3.970 16.462 ( -8.256 -3.553 -0.042) 8.988 16.575 ( 1.056 0.271 -2.627) 2.844 16.651 ( -0.466 -1.870 3.042) 3.601 16.983 ( -9.379 2.907 -9.071) 13.368 17.345 ( -8.383 -3.096 1.336) 9.036 17.561 ( -9.702 1.881 -4.414) 10.823 17.831 ( -10.974 0.044 -0.610) 10.991 17.929 ( -7.845 3.651 -2.009) 8.883 18.087 ( -2.709 2.988 7.196) 8.249 18.297 ( -7.357 -1.015 -0.633) 7.454 18.410 ( -1.812 -0.223 -1.160) 2.163 18.486 ( -0.174 -1.621 -1.484) 2.205 18.993 ( 22.907 -0.121 4.135) 23.278 19.138 ( 21.822 -2.552 -4.071) 22.345 20.741 ( 0.882 -12.642 6.874) 14.418 21.294 ( -0.815 17.560 -3.482) 17.920 22.176 ( 2.303 0.219 2.144) 3.154 22.252 ( 4.716 -0.476 -1.671) 5.026 24.051 ( -14.863 -15.599 2.955) 21.748 24.487 ( -14.181 7.911 -4.850) 16.947 25.563 ( -0.643 0.994 1.747) 2.110 25.594 ( 3.676 -3.656 0.796) 5.245 25.667 ( 1.882 4.109 0.409) 4.538 25.738 ( 2.474 2.341 -1.876) 3.888 ======================= Grid point 55 (47/84) ======================= q-point: (-0.62 -0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.328 ( 11.777 -4.489 -10.926) 16.680 2.633 ( 15.979 -3.543 -14.201) 21.669 2.912 ( 11.376 7.913 -3.045) 14.188 3.097 ( 1.660 -1.741 8.912) 9.231 3.289 ( 10.762 7.149 4.698) 13.747 3.421 ( 8.391 7.837 11.432) 16.203 3.800 ( -7.956 1.156 -1.710) 8.220 3.855 ( -2.102 1.200 -2.241) 3.298 4.173 ( 7.921 -6.111 -4.310) 10.893 4.244 ( -4.481 -3.661 2.116) 6.161 4.566 ( 0.752 -3.025 2.368) 3.915 4.668 ( -1.679 -4.544 3.887) 6.211 6.427 ( 11.909 -9.133 7.599) 16.822 6.959 ( -5.350 -5.405 0.033) 7.605 7.188 ( 12.217 1.268 3.119) 12.673 7.443 ( 12.197 -9.383 0.232) 15.390 7.519 ( 0.811 -2.655 -19.043) 19.245 7.949 ( 10.753 0.979 0.090) 10.797 8.113 ( 15.856 6.424 1.937) 17.217 8.233 ( 9.533 -2.104 -3.274) 10.296 8.286 ( 16.366 3.978 1.881) 16.947 8.568 ( 15.901 0.685 -7.217) 17.475 8.821 ( 26.127 0.278 1.503) 26.171 8.894 ( -3.562 5.323 -0.725) 6.446 8.997 ( 7.376 5.535 6.625) 11.355 9.203 ( 4.860 6.996 -6.659) 10.812 9.377 ( 19.348 1.233 1.139) 19.420 9.559 ( -3.043 -0.980 6.688) 7.412 9.688 ( -0.288 -2.320 4.403) 4.985 9.800 ( -7.841 1.401 -0.829) 8.008 9.864 ( -9.562 -3.369 0.574) 10.154 10.008 ( -3.567 -5.547 4.872) 8.199 10.135 ( -4.418 -1.905 0.215) 4.816 10.284 ( -2.228 1.617 1.322) 3.054 10.430 ( -3.135 -5.468 -0.848) 6.360 10.561 ( -0.570 -1.555 2.280) 2.818 10.773 ( 15.138 8.212 1.720) 17.308 10.912 ( -5.873 6.127 -2.323) 8.800 11.043 ( 0.084 -0.844 1.289) 1.543 11.249 ( -3.322 2.121 -2.528) 4.682 11.306 ( -2.898 -2.747 -2.176) 4.548 11.469 ( 3.969 5.334 2.792) 7.211 11.591 ( 0.306 2.514 -3.268) 4.135 11.688 ( 3.067 0.987 -1.142) 3.419 11.843 ( 1.489 3.670 3.508) 5.291 11.902 ( 1.085 -3.979 1.307) 4.327 12.107 ( 4.985 1.407 2.790) 5.884 12.159 ( 5.943 -1.774 -4.956) 7.939 12.214 ( 5.151 0.493 -2.285) 5.657 12.515 ( 2.412 -1.760 -7.462) 8.037 12.532 ( 4.158 -2.566 -4.171) 6.424 12.716 ( -5.910 -5.173 1.758) 8.048 12.907 ( 3.392 1.568 10.460) 11.108 12.959 ( -11.123 0.240 5.123) 12.249 13.224 ( 2.813 0.930 1.526) 3.333 13.307 ( 0.744 4.236 1.674) 4.615 13.495 ( 1.059 0.086 -5.761) 5.858 13.600 ( -3.424 3.797 0.457) 5.133 13.799 ( 6.464 -0.026 2.594) 6.965 13.932 ( 0.740 2.525 -6.643) 7.145 14.054 ( -5.208 -3.007 0.546) 6.038 14.282 ( -2.935 -9.718 2.040) 10.354 14.333 ( -5.323 0.315 -4.320) 6.863 14.495 ( -5.886 -7.906 7.528) 12.403 14.857 ( -2.521 0.329 -5.398) 5.967 15.123 ( -7.310 0.794 -3.274) 8.049 15.359 ( -26.939 1.051 0.637) 26.967 15.453 ( -13.789 3.681 -0.863) 14.298 15.529 ( -7.202 -0.241 -1.863) 7.443 15.674 ( -4.940 1.674 -5.299) 7.435 15.819 ( -6.329 -1.253 -2.209) 6.819 16.220 ( -0.222 5.280 -1.968) 5.639 16.468 ( 4.399 -5.716 2.501) 7.634 16.519 ( 1.332 0.906 3.038) 3.439 16.586 ( -1.669 2.528 2.106) 3.689 16.877 ( 4.667 1.027 -3.577) 5.969 16.988 ( -6.883 0.722 4.253) 8.123 17.176 ( -9.286 2.052 -3.982) 10.310 17.349 ( -7.656 -5.387 -6.892) 11.625 17.694 ( -10.262 3.462 -7.515) 13.183 17.877 ( -4.909 -2.936 14.105) 15.220 18.127 ( -2.884 3.086 7.804) 8.874 18.222 ( -4.675 -1.607 -3.677) 6.161 18.407 ( -2.106 -0.896 -4.776) 5.296 19.831 ( 15.264 -1.924 9.062) 17.855 19.878 ( 18.246 -3.001 2.246) 18.627 20.618 ( 2.664 -4.820 0.503) 5.531 21.619 ( -5.949 23.086 -4.869) 24.333 22.229 ( 1.953 -5.059 0.615) 5.458 22.777 ( 13.526 2.715 -2.757) 14.069 22.825 ( -13.750 -22.573 -2.883) 26.588 24.203 ( -15.709 17.448 1.339) 23.516 25.526 ( -0.185 -8.051 -0.027) 8.053 25.615 ( -1.418 0.869 0.504) 1.738 25.670 ( 0.484 0.331 -2.152) 2.231 25.767 ( -1.175 0.204 4.043) 4.215 ======================= Grid point 56 (48/84) ======================= q-point: (-0.13 -0.12 0.53) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.692 ( 11.774 3.295 -2.872) 12.559 2.797 ( 10.743 0.021 -1.746) 10.883 2.933 ( 13.380 8.319 4.404) 16.360 3.137 ( 0.993 0.033 -5.196) 5.290 3.294 ( 0.470 -4.820 1.463) 5.060 3.378 ( 2.764 -5.380 -3.372) 6.925 3.649 ( -6.155 -3.690 3.486) 7.978 3.782 ( -4.160 -3.131 4.898) 7.148 4.204 ( 1.904 3.002 -2.606) 4.408 4.541 ( -6.655 -0.288 -10.539) 12.467 4.622 ( 5.671 -1.025 6.919) 9.005 4.757 ( -3.378 5.253 3.674) 7.246 6.854 ( 2.257 2.773 -8.996) 9.681 6.968 ( 0.602 3.683 -8.917) 9.666 7.291 ( 8.190 14.323 10.198) 19.397 7.589 ( -1.432 -6.718 14.406) 15.960 8.022 ( 14.436 5.415 0.437) 15.425 8.075 ( 16.491 -0.194 0.248) 16.494 8.281 ( 3.459 -1.725 -0.480) 3.894 8.300 ( 2.732 0.121 -10.523) 10.873 8.473 ( 9.418 6.769 0.201) 11.600 8.597 ( 1.474 -3.814 5.901) 7.179 8.864 ( 4.419 -11.221 -1.322) 12.132 9.001 ( 3.120 -10.928 1.696) 11.490 9.066 ( 18.636 7.297 -5.177) 20.673 9.377 ( 5.347 0.515 1.066) 5.476 9.502 ( -1.805 -0.889 1.126) 2.306 9.644 ( -1.262 1.247 -1.868) 2.577 9.689 ( 4.569 -0.191 3.948) 6.042 9.864 ( -4.974 -0.649 3.491) 6.111 9.950 ( -4.435 -5.743 -1.340) 7.379 10.071 ( -5.050 -4.634 1.625) 7.044 10.184 ( 3.045 2.825 -1.988) 4.605 10.365 ( 0.352 3.118 -2.354) 3.923 10.380 ( -3.702 -8.687 0.199) 9.445 10.530 ( 9.328 5.778 2.197) 11.190 10.640 ( 14.186 1.079 -4.373) 14.884 10.811 ( -5.025 -3.953 2.447) 6.846 10.986 ( -14.039 6.663 -1.687) 15.631 11.170 ( -3.863 -4.821 1.993) 6.492 11.283 ( 1.149 -6.474 -5.050) 8.291 11.445 ( 4.950 2.326 5.253) 7.583 11.572 ( -8.354 5.369 -0.973) 9.978 11.647 ( -1.204 1.832 -2.946) 3.673 11.826 ( 4.883 4.692 2.321) 7.159 11.929 ( 5.544 -4.856 -3.703) 8.248 12.122 ( 1.376 -0.516 -3.203) 3.524 12.181 ( 11.225 2.905 -2.011) 11.768 12.402 ( 2.645 -3.302 6.769) 7.983 12.492 ( -0.379 2.361 6.407) 6.839 12.631 ( -6.773 -4.380 -1.150) 8.148 12.767 ( -12.875 -5.894 4.030) 14.722 12.967 ( 16.175 3.290 -5.211) 17.309 13.197 ( 7.133 -3.989 2.303) 8.490 13.288 ( 6.940 0.229 -4.877) 8.486 13.316 ( 3.288 -2.458 -2.135) 4.627 13.351 ( 1.749 0.864 0.330) 1.979 13.429 ( -3.453 1.578 1.746) 4.179 13.835 ( 2.028 3.654 -0.635) 4.227 13.920 ( 7.097 -0.639 -3.903) 8.124 14.027 ( -11.909 -0.411 0.062) 11.916 14.262 ( -4.886 0.705 8.312) 9.668 14.488 ( -8.706 4.830 -3.283) 10.483 14.547 ( -5.234 3.640 -1.642) 6.583 14.608 ( -1.956 1.939 -1.308) 3.049 14.731 ( -14.305 1.665 5.371) 15.370 14.878 ( -22.798 1.605 -0.710) 22.865 14.901 ( -12.229 -1.070 -2.516) 12.531 15.520 ( 4.366 2.741 -2.309) 5.648 15.696 ( 5.361 -2.381 3.735) 6.954 15.786 ( -3.926 5.732 -0.801) 6.994 15.909 ( -6.134 -5.505 -0.890) 8.290 16.541 ( 2.987 -2.541 -4.330) 5.842 16.571 ( 4.334 1.725 -3.532) 5.851 16.677 ( 2.986 2.786 -4.049) 5.750 16.834 ( -1.340 -0.650 -1.198) 1.911 16.967 ( 5.195 1.601 3.007) 6.213 17.070 ( -6.494 -4.038 1.544) 7.802 17.345 ( -9.421 2.088 9.171) 13.313 17.407 ( -5.467 -2.168 10.997) 12.471 17.898 ( -1.919 3.785 -10.125) 10.978 17.974 ( -1.611 -2.669 -12.712) 13.089 18.262 ( -3.051 1.751 5.435) 6.474 18.281 ( -2.525 -1.392 3.960) 4.899 20.354 ( 17.345 -6.772 0.639) 18.631 20.410 ( 8.811 -4.986 4.392) 11.035 20.711 ( -6.606 10.615 1.469) 12.589 20.832 ( -7.501 -7.147 -4.258) 11.202 22.573 ( 8.046 13.182 0.221) 15.445 22.820 ( 14.243 -11.133 -0.726) 18.092 22.895 ( -10.263 21.519 -5.426) 24.451 23.590 ( -17.548 -20.876 5.024) 27.731 25.567 ( 2.445 2.125 -2.025) 3.820 25.624 ( 0.588 3.188 0.166) 3.246 25.676 ( -1.374 1.441 -0.392) 2.029 25.807 ( -3.492 -4.601 2.074) 6.137 ======================= Grid point 57 (49/84) ======================= q-point: ( 0.38 -0.12 -0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.751 ( 4.836 0.000 5.255) 7.142 2.964 ( -3.982 0.000 8.331) 9.234 3.079 ( -13.440 -0.000 -10.725) 17.195 3.228 ( -13.922 0.000 6.585) 15.401 3.293 ( 5.637 -0.000 -5.273) 7.718 3.615 ( 10.956 -0.000 -12.291) 16.465 3.742 ( 1.174 0.000 5.725) 5.844 3.949 ( 0.952 -0.000 -3.468) 3.596 4.195 ( 1.528 0.000 10.847) 10.954 4.344 ( 3.308 0.000 2.520) 4.159 4.350 ( 4.578 -0.000 -0.439) 4.599 4.568 ( -3.619 -0.000 -5.281) 6.402 6.703 ( -1.059 0.000 10.881) 10.933 6.753 ( 2.924 0.000 5.770) 6.468 7.030 ( -6.127 -0.000 -2.867) 6.764 7.491 ( 8.128 -0.000 -25.971) 27.213 8.118 ( 6.727 0.000 3.451) 7.560 8.242 ( -12.959 0.000 -3.695) 13.475 8.486 ( -26.568 0.000 2.309) 26.669 8.493 ( 3.001 0.000 16.321) 16.595 8.639 ( 27.294 -0.000 -1.540) 27.338 8.788 ( -24.930 0.000 2.732) 25.079 9.053 ( 17.598 -0.000 -2.073) 17.720 9.092 ( 18.533 -0.000 0.779) 18.549 9.144 ( -6.156 -0.000 -7.052) 9.361 9.246 ( -12.847 -0.000 -8.536) 15.424 9.518 ( -17.055 0.000 6.014) 18.084 9.743 ( 3.025 0.000 6.013) 6.731 9.777 ( 7.999 -0.000 -5.993) 9.995 9.857 ( 10.327 -0.000 -3.610) 10.940 10.117 ( 17.338 0.000 7.766) 18.997 10.256 ( -5.314 0.000 1.124) 5.432 10.342 ( 22.562 -0.000 1.705) 22.626 10.359 ( -32.333 0.000 0.042) 32.333 10.362 ( 16.433 -0.000 4.891) 17.145 10.522 ( -11.117 0.000 -2.140) 11.321 10.529 ( 22.384 -0.000 -1.250) 22.418 10.595 ( -19.316 0.000 -4.584) 19.852 10.915 ( -7.732 0.000 -1.297) 7.840 10.917 ( 6.632 -0.000 -4.353) 7.933 11.403 ( -4.508 0.000 10.185) 11.138 11.505 ( -2.448 0.000 -0.860) 2.595 11.543 ( -1.170 0.000 2.391) 2.662 11.763 ( 0.623 -0.000 -4.307) 4.352 11.907 ( -14.379 0.000 -0.935) 14.409 11.977 ( 14.880 -0.000 -3.281) 15.238 12.052 ( -5.692 0.000 5.091) 7.636 12.303 ( -0.574 0.000 1.290) 1.412 12.431 ( 4.636 -0.000 -8.021) 9.264 12.494 ( -8.833 0.000 -1.993) 9.055 12.738 ( 16.927 -0.000 2.166) 17.065 12.833 ( -0.339 -0.000 -2.478) 2.501 13.089 ( 10.304 0.000 9.738) 14.178 13.255 ( -13.987 0.000 1.720) 14.092 13.406 ( 15.924 -0.000 -1.521) 15.996 13.488 ( -23.740 0.000 -5.463) 24.360 13.490 ( 4.438 -0.000 0.717) 4.496 13.501 ( -4.076 0.000 -1.622) 4.387 13.732 ( -8.232 0.000 2.514) 8.607 13.733 ( 13.842 -0.000 0.873) 13.869 13.964 ( -6.200 0.000 3.342) 7.044 14.057 ( 13.582 -0.000 -2.607) 13.829 14.207 ( 10.998 0.000 4.939) 12.056 14.237 ( -18.692 0.000 -0.442) 18.697 14.454 ( 12.971 -0.000 -4.238) 13.646 14.562 ( -12.209 -0.000 -8.075) 14.638 14.781 ( -9.227 0.000 2.937) 9.683 14.820 ( 1.796 -0.000 0.292) 1.820 15.520 ( -4.365 0.000 3.208) 5.417 15.604 ( -0.156 -0.000 -0.667) 0.685 15.890 ( 9.455 -0.000 1.690) 9.605 16.019 ( -9.947 -0.000 -4.398) 10.876 16.488 ( 2.204 0.000 6.707) 7.059 16.693 ( -4.748 0.000 -0.098) 4.749 16.838 ( 0.545 0.000 5.528) 5.555 16.879 ( -6.656 0.000 0.304) 6.663 16.935 ( -4.119 0.000 0.162) 4.122 16.953 ( 11.275 -0.000 -1.315) 11.351 17.158 ( 7.493 -0.000 -7.818) 10.829 17.389 ( -3.856 -0.000 -13.163) 13.716 17.751 ( 1.645 0.000 12.162) 12.273 18.030 ( -1.832 0.000 6.749) 6.993 18.122 ( 0.910 -0.000 -1.701) 1.929 18.349 ( -0.455 -0.000 -4.476) 4.499 20.248 ( 8.078 0.000 4.259) 9.132 20.457 ( 7.885 -0.000 -4.905) 9.286 20.870 ( 12.910 0.000 6.127) 14.290 21.187 ( -27.637 0.000 -8.021) 28.778 22.183 ( 3.257 0.000 1.633) 3.643 22.199 ( -1.792 0.000 1.201) 2.157 23.606 ( -21.579 0.000 1.497) 21.631 23.697 ( 21.386 -0.000 -2.476) 21.528 25.453 ( 1.353 0.000 1.683) 2.159 25.545 ( -1.570 -0.000 -3.214) 3.577 25.681 ( -2.029 0.000 4.252) 4.711 25.810 ( 4.186 -0.000 -2.252) 4.754 ======================= Grid point 62 (50/84) ======================= q-point: (-0.35 -0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( -0.000 -16.176 -28.591) 32.850 1.526 ( -0.000 -22.098 -26.802) 34.738 2.218 ( -0.000 -21.916 -39.652) 45.306 2.642 ( 0.000 9.590 9.846) 13.745 2.879 ( 0.000 15.297 13.254) 20.240 3.505 ( 0.000 -3.416 20.233) 20.520 3.536 ( 0.000 0.861 3.099) 3.217 3.921 ( 0.000 0.381 6.467) 6.478 4.174 ( 0.000 10.393 2.726) 10.745 4.517 ( -0.000 -5.450 -5.016) 7.407 4.518 ( 0.000 3.914 12.491) 13.090 4.720 ( -0.000 5.389 -6.443) 8.400 6.152 ( 0.000 -6.956 2.535) 7.404 6.408 ( 0.000 -8.195 22.796) 24.225 6.972 ( -0.000 -13.326 -13.909) 19.263 7.003 ( 0.000 2.070 7.791) 8.062 7.143 ( -0.000 4.369 -1.945) 4.782 7.304 ( -0.000 -0.312 -4.545) 4.556 7.563 ( -0.000 -1.583 0.242) 1.602 7.704 ( -0.000 -3.981 -1.281) 4.182 7.814 ( -0.000 4.595 -3.667) 5.879 8.117 ( 0.000 11.945 6.786) 13.737 8.248 ( -0.000 1.185 -3.168) 3.382 8.347 ( -0.000 12.485 -16.153) 20.415 8.613 ( 0.000 -12.806 6.694) 14.450 8.958 ( -0.000 -5.617 -2.150) 6.014 9.240 ( 0.000 3.531 -0.837) 3.629 9.636 ( -0.000 1.650 -3.238) 3.634 9.739 ( 0.000 12.528 5.786) 13.799 10.015 ( -0.000 1.913 -4.683) 5.058 10.112 ( 0.000 -1.767 3.733) 4.130 10.202 ( -0.000 -7.525 -10.036) 12.544 10.372 ( 0.000 1.999 10.465) 10.654 10.459 ( -0.000 -9.864 -1.246) 9.942 10.521 ( 0.000 6.325 10.654) 12.390 10.597 ( 0.000 -1.016 4.317) 4.435 10.928 ( -0.000 0.545 -1.523) 1.618 10.947 ( -0.000 1.927 -3.226) 3.758 11.071 ( -0.000 -1.854 -6.593) 6.849 11.092 ( -0.000 1.968 -2.071) 2.858 11.189 ( -0.000 7.071 -11.202) 13.247 11.207 ( 0.000 0.598 1.699) 1.801 11.465 ( 0.000 5.760 2.083) 6.125 11.623 ( -0.000 7.861 -6.141) 9.975 11.646 ( -0.000 -7.748 -3.474) 8.491 11.755 ( 0.000 -3.261 2.660) 4.208 11.865 ( 0.000 -1.535 1.577) 2.201 12.129 ( 0.000 -12.994 8.280) 15.407 12.301 ( 0.000 6.005 13.068) 14.382 12.352 ( -0.000 -5.316 1.107) 5.430 12.481 ( 0.000 -1.350 8.095) 8.207 12.735 ( 0.000 4.813 3.961) 6.233 12.922 ( 0.000 -3.902 5.244) 6.537 13.202 ( 0.000 1.926 0.288) 1.947 13.307 ( 0.000 -1.215 3.781) 3.971 13.355 ( -0.000 -0.765 -7.647) 7.685 13.578 ( -0.000 3.887 -9.797) 10.540 13.664 ( -0.000 9.403 -3.393) 9.996 13.763 ( 0.000 -2.279 1.284) 2.616 14.006 ( -0.000 3.805 -5.803) 6.939 14.250 ( 0.000 -3.262 12.062) 12.495 14.380 ( -0.000 -0.689 -13.288) 13.306 14.537 ( -0.000 -6.362 1.016) 6.442 14.613 ( -0.000 -3.297 0.928) 3.425 14.886 ( 0.000 -7.893 5.842) 9.820 15.009 ( -0.000 -3.354 0.809) 3.450 15.466 ( 0.000 3.730 3.585) 5.174 15.683 ( -0.000 -10.138 -5.486) 11.527 15.793 ( -0.000 13.308 -8.425) 15.750 16.285 ( 0.000 3.505 3.917) 5.256 16.369 ( -0.000 -0.300 -12.018) 12.022 16.411 ( -0.000 -1.645 -9.809) 9.946 16.436 ( 0.000 0.016 7.364) 7.364 16.506 ( 0.000 -6.349 7.879) 10.118 16.738 ( 0.000 0.134 6.557) 6.558 16.927 ( -0.000 1.450 -9.427) 9.538 17.393 ( 0.000 -3.929 4.858) 6.248 17.636 ( -0.000 1.351 -4.189) 4.402 18.003 ( -0.000 -0.753 -1.466) 1.648 18.104 ( -0.000 0.529 -0.758) 0.924 18.221 ( -0.000 4.145 -10.884) 11.646 18.278 ( 0.000 3.845 6.851) 7.856 18.451 ( -0.000 -2.304 -3.319) 4.040 18.467 ( 0.000 -2.910 3.866) 4.839 18.683 ( 0.000 -1.104 2.277) 2.530 18.832 ( -0.000 1.585 -2.391) 2.868 20.687 ( 0.000 -6.404 9.671) 11.599 21.633 ( 0.000 22.419 -5.080) 22.987 22.139 ( -0.000 -0.673 -2.951) 3.027 22.236 ( 0.000 1.163 4.185) 4.344 23.938 ( 0.000 -22.416 8.469) 23.962 24.652 ( -0.000 2.728 -3.708) 4.603 25.488 ( 0.000 -2.034 1.325) 2.427 25.607 ( -0.000 0.589 -0.448) 0.740 25.699 ( -0.000 2.946 -1.825) 3.466 25.827 ( 0.000 8.882 -1.920) 9.088 ======================= Grid point 63 (51/84) ======================= q-point: ( 0.15 -0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( 15.919 27.108 -0.000) 31.436 1.592 ( 17.195 27.838 -0.000) 32.720 2.560 ( 12.717 42.212 -0.000) 44.086 2.703 ( -0.254 -10.161 0.000) 10.164 3.020 ( 2.499 -10.614 0.000) 10.905 3.133 ( 0.831 -18.458 0.000) 18.477 3.849 ( -8.588 -18.017 0.000) 19.959 3.951 ( -2.409 2.333 -0.000) 3.354 4.191 ( 7.794 -1.326 0.000) 7.906 4.370 ( 14.112 -10.499 0.000) 17.589 4.560 ( 1.664 7.050 -0.000) 7.244 4.742 ( -4.004 -5.369 0.000) 6.698 6.319 ( 8.994 6.857 -0.000) 11.310 6.857 ( 9.846 -13.011 0.000) 16.317 6.891 ( -2.639 14.192 -0.000) 14.435 7.016 ( -3.629 -11.009 0.000) 11.592 7.190 ( 11.986 3.964 -0.000) 12.625 7.570 ( -0.501 4.928 -0.000) 4.953 7.649 ( 1.629 7.631 -0.000) 7.803 7.714 ( 13.448 -3.234 0.000) 13.832 7.895 ( 11.315 -3.042 0.000) 11.717 8.065 ( 10.333 3.258 -0.000) 10.834 8.219 ( 10.298 0.158 -0.000) 10.300 8.275 ( 16.475 0.983 -0.000) 16.504 9.016 ( -1.526 2.208 -0.000) 2.684 9.036 ( -11.916 -2.704 0.000) 12.219 9.331 ( 3.163 0.878 -0.000) 3.282 9.350 ( -7.543 -0.328 0.000) 7.551 9.493 ( 6.411 -7.319 0.000) 9.730 9.754 ( 3.148 -4.039 0.000) 5.121 9.767 ( -1.570 3.742 -0.000) 4.058 10.400 ( -4.135 -4.642 0.000) 6.217 10.405 ( -6.822 -0.787 0.000) 6.868 10.551 ( 2.915 -7.753 0.000) 8.282 10.678 ( -7.629 3.210 -0.000) 8.277 10.817 ( -3.583 5.298 -0.000) 6.396 10.821 ( 1.657 8.078 -0.000) 8.246 10.914 ( 2.185 1.890 -0.000) 2.889 11.001 ( -0.784 -3.932 0.000) 4.010 11.028 ( 6.549 -2.027 0.000) 6.855 11.104 ( 9.267 -3.983 0.000) 10.086 11.203 ( -4.809 4.660 -0.000) 6.697 11.373 ( 1.342 -1.924 0.000) 2.346 11.544 ( -0.189 -4.567 0.000) 4.570 11.682 ( 2.202 8.728 -0.000) 9.001 11.696 ( 2.051 1.775 -0.000) 2.712 11.948 ( 4.678 -1.813 0.000) 5.017 12.303 ( -5.991 -2.649 0.000) 6.550 12.447 ( 2.003 -0.977 0.000) 2.228 12.460 ( -2.048 -10.211 0.000) 10.414 12.677 ( -0.236 -6.746 0.000) 6.750 12.805 ( 2.592 -9.735 0.000) 10.074 13.117 ( 1.510 -5.156 0.000) 5.372 13.145 ( -6.370 5.741 -0.000) 8.575 13.163 ( -1.097 0.811 -0.000) 1.364 13.311 ( 4.548 3.399 -0.000) 5.678 13.549 ( 0.658 0.902 -0.000) 1.116 13.550 ( -3.280 4.341 -0.000) 5.441 13.667 ( -4.693 -0.207 0.000) 4.698 13.850 ( -4.008 0.950 -0.000) 4.119 14.010 ( 6.440 5.424 -0.000) 8.420 14.423 ( -1.368 -1.340 0.000) 1.915 14.687 ( -2.316 4.518 -0.000) 5.077 14.865 ( -0.750 6.775 -0.000) 6.816 15.022 ( -6.663 -2.223 0.000) 7.024 15.201 ( 3.814 0.441 -0.000) 3.839 15.209 ( -2.896 -2.940 0.000) 4.127 15.582 ( -0.141 2.635 -0.000) 2.639 15.870 ( -1.103 13.871 -0.000) 13.915 15.883 ( -8.332 4.303 -0.000) 9.378 16.147 ( -2.514 0.867 -0.000) 2.659 16.319 ( 4.004 -5.092 0.000) 6.478 16.511 ( -12.104 -2.298 0.000) 12.320 16.621 ( 3.634 -0.171 0.000) 3.638 16.658 ( -4.725 -2.670 0.000) 5.427 16.989 ( -18.512 6.850 -0.000) 19.739 17.386 ( -10.937 -1.870 0.000) 11.096 17.583 ( -5.121 -0.258 0.000) 5.128 17.802 ( -1.309 4.671 -0.000) 4.850 17.848 ( -9.376 1.369 -0.000) 9.476 17.981 ( -4.762 1.852 -0.000) 5.109 18.270 ( -10.189 2.125 -0.000) 10.408 18.473 ( -2.132 -1.457 0.000) 2.582 18.500 ( 1.386 -0.060 0.000) 1.388 18.979 ( 20.406 -1.100 0.000) 20.435 19.334 ( 33.007 -13.234 0.000) 35.561 20.943 ( 0.424 -13.057 0.000) 13.064 21.028 ( -2.080 11.347 -0.000) 11.536 22.146 ( 4.551 0.895 -0.000) 4.638 22.294 ( 2.053 -1.808 0.000) 2.736 23.963 ( -29.524 17.119 -0.000) 34.129 24.687 ( -7.768 -15.996 0.000) 17.782 25.485 ( -1.291 2.004 -0.000) 2.384 25.592 ( 1.432 2.947 -0.000) 3.276 25.649 ( 2.879 -0.492 0.000) 2.921 25.739 ( 8.641 -1.470 0.000) 8.765 ======================= Grid point 64 (52/84) ======================= q-point: (-0.35 -0.15 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( 20.013 -0.000 -16.736) 26.089 1.814 ( 22.720 -0.000 -21.606) 31.353 2.777 ( 4.019 -0.000 0.852) 4.108 2.780 ( 23.376 -0.000 -22.623) 32.531 3.277 ( 6.603 0.000 4.601) 8.048 3.642 ( 6.475 0.000 16.916) 18.113 3.681 ( 3.726 0.000 3.653) 5.218 4.004 ( 0.420 0.000 7.419) 7.431 4.200 ( -4.023 0.000 5.371) 6.710 4.277 ( -4.734 -0.000 -2.841) 5.521 4.584 ( 1.820 0.000 11.302) 11.448 4.718 ( -4.108 -0.000 -5.438) 6.816 6.242 ( 10.576 0.000 8.285) 13.435 6.765 ( 20.282 0.000 8.967) 22.176 6.803 ( -0.207 -0.000 -13.264) 13.266 7.197 ( -0.150 -0.000 -10.066) 10.067 7.674 ( -2.083 0.000 12.861) 13.028 7.685 ( 9.525 -0.000 -9.725) 13.612 7.750 ( 21.509 -0.000 1.022) 21.533 7.833 ( 11.955 -0.000 -5.277) 13.068 8.035 ( 18.953 -0.000 5.317) 19.685 8.283 ( -0.821 0.000 1.693) 1.881 8.444 ( 10.348 -0.000 -0.195) 10.350 8.652 ( 13.646 -0.000 -9.389) 16.564 8.878 ( 26.255 -0.000 2.643) 26.387 8.983 ( 4.937 0.000 3.983) 6.344 9.465 ( -10.975 0.000 -4.230) 11.762 9.691 ( 10.875 -0.000 2.227) 11.101 9.824 ( -11.441 0.000 -3.950) 12.104 9.952 ( -7.669 -0.000 -7.413) 10.666 9.953 ( 0.299 0.000 0.252) 0.391 10.122 ( -3.017 0.000 0.543) 3.065 10.159 ( 4.093 0.000 7.453) 8.503 10.338 ( -5.148 0.000 10.915) 12.068 10.510 ( 4.309 0.000 8.904) 9.892 10.546 ( -7.971 0.000 3.655) 8.769 10.780 ( -7.585 -0.000 -6.121) 9.746 10.976 ( -1.249 -0.000 -4.661) 4.825 11.108 ( 0.368 -0.000 -3.638) 3.657 11.152 ( 0.874 0.000 3.724) 3.825 11.353 ( 10.526 -0.000 -5.096) 11.695 11.460 ( 9.650 -0.000 -4.992) 10.864 11.492 ( -5.094 0.000 4.605) 6.867 11.672 ( -3.159 0.000 3.465) 4.689 11.699 ( 0.884 -0.000 -6.608) 6.667 11.836 ( 14.663 -0.000 -1.478) 14.737 12.015 ( 3.579 0.000 6.105) 7.077 12.043 ( 1.543 -0.000 -0.369) 1.587 12.285 ( -0.079 -0.000 -5.467) 5.467 12.331 ( -5.552 0.000 10.710) 12.063 12.441 ( 2.689 -0.000 0.765) 2.796 12.851 ( -3.624 0.000 5.293) 6.415 13.022 ( 7.750 0.000 10.260) 12.858 13.180 ( 1.315 0.000 1.751) 2.190 13.276 ( -12.025 -0.000 -7.261) 14.047 13.352 ( -0.417 -0.000 -5.261) 5.278 13.379 ( -0.696 0.000 0.473) 0.841 13.673 ( 1.903 0.000 4.132) 4.549 13.734 ( -4.568 -0.000 -7.965) 9.182 13.981 ( 2.931 -0.000 -1.407) 3.251 14.020 ( -5.866 0.000 5.709) 8.185 14.320 ( -3.344 -0.000 -10.900) 11.401 14.331 ( -6.137 0.000 4.163) 7.416 14.662 ( -3.842 0.000 8.329) 9.173 14.728 ( 1.337 -0.000 -5.753) 5.906 15.122 ( 0.174 -0.000 -4.396) 4.399 15.496 ( 0.175 0.000 0.823) 0.841 15.662 ( 2.898 -0.000 -7.034) 7.607 15.679 ( -7.858 -0.000 -10.675) 13.255 15.783 ( -19.459 -0.000 -10.240) 21.989 16.001 ( -13.794 0.000 4.464) 14.499 16.206 ( -5.889 -0.000 -4.115) 7.184 16.392 ( 3.051 0.000 2.960) 4.251 16.640 ( -2.526 0.000 4.506) 5.166 16.714 ( -8.535 -0.000 -6.001) 10.434 16.726 ( 4.231 -0.000 -3.902) 5.756 17.185 ( -7.688 0.000 0.306) 7.694 17.307 ( -9.100 0.000 1.314) 9.194 17.507 ( -10.340 0.000 1.979) 10.528 17.822 ( -8.094 -0.000 -3.511) 8.823 18.181 ( -5.472 0.000 5.929) 8.068 18.194 ( -4.634 -0.000 -7.131) 8.504 18.304 ( -1.558 -0.000 -4.475) 4.738 18.359 ( -2.921 0.000 5.502) 6.229 19.461 ( 21.723 -0.000 -0.112) 21.723 19.776 ( 20.327 0.000 24.009) 31.458 20.590 ( -1.164 0.000 5.431) 5.554 22.024 ( 2.800 0.000 2.805) 3.963 22.135 ( -7.644 -0.000 -3.954) 8.606 22.446 ( 14.514 -0.000 -3.364) 14.899 22.666 ( -20.849 -0.000 -18.371) 27.788 24.722 ( -8.720 0.000 5.936) 10.549 25.449 ( -0.432 0.000 2.150) 2.192 25.630 ( 0.866 -0.000 -1.154) 1.443 25.663 ( -5.766 -0.000 -4.807) 7.507 25.873 ( 1.110 0.000 5.437) 5.549 ======================= Grid point 65 (53/84) ======================= q-point: ( 0.15 -0.15 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.556 ( 6.211 -3.988 0.000) 7.381 2.653 ( 11.264 12.959 -0.000) 17.170 2.860 ( 12.320 4.825 -0.000) 13.231 3.032 ( 13.012 -0.303 0.000) 13.015 3.035 ( 5.491 0.903 -0.000) 5.565 3.255 ( 3.579 -1.501 0.000) 3.881 3.778 ( 5.949 7.049 -0.000) 9.224 3.800 ( -8.225 0.110 -0.000) 8.226 4.318 ( -8.786 -4.940 0.000) 10.080 4.402 ( 6.123 -7.723 0.000) 9.856 4.599 ( -4.941 0.428 -0.000) 4.960 4.730 ( 7.873 -6.550 0.000) 10.241 6.571 ( 8.781 -10.295 0.000) 13.531 6.960 ( -4.242 1.627 -0.000) 4.543 7.293 ( 14.732 -10.038 0.000) 17.827 7.607 ( 15.313 23.927 -0.000) 28.407 7.650 ( 13.443 -6.967 0.000) 15.141 7.910 ( 8.968 -4.703 0.000) 10.127 7.930 ( 9.284 -1.714 0.000) 9.441 8.244 ( 15.647 -3.365 0.000) 16.005 8.439 ( -6.261 -4.839 0.000) 7.913 8.513 ( 11.122 8.482 -0.000) 13.987 8.694 ( 11.111 7.178 -0.000) 13.228 8.752 ( 23.990 5.442 -0.000) 24.599 8.879 ( -8.593 -1.525 0.000) 8.727 9.219 ( 13.022 -0.490 0.000) 13.032 9.322 ( 20.109 1.297 -0.000) 20.151 9.576 ( -4.340 -4.462 0.000) 6.224 9.674 ( 3.592 2.652 -0.000) 4.465 9.821 ( 2.102 -0.754 0.000) 2.233 9.941 ( -7.904 -5.283 0.000) 9.507 10.017 ( 7.631 2.095 -0.000) 7.914 10.189 ( -5.596 -4.436 0.000) 7.141 10.253 ( -13.464 -4.398 0.000) 14.164 10.493 ( 6.385 2.886 -0.000) 7.007 10.594 ( 4.627 8.393 -0.000) 9.585 10.614 ( -12.476 -6.166 0.000) 13.917 10.901 ( -5.980 1.243 -0.000) 6.108 10.996 ( 2.173 -4.593 0.000) 5.081 11.252 ( -2.748 3.499 -0.000) 4.449 11.334 ( -8.693 1.938 -0.000) 8.906 11.375 ( 13.990 -0.429 0.000) 13.996 11.547 ( 1.148 8.017 -0.000) 8.098 11.585 ( 12.998 3.165 -0.000) 13.378 11.814 ( -7.087 -5.883 0.000) 9.210 12.011 ( 4.487 -4.689 0.000) 6.490 12.035 ( 0.075 11.134 -0.000) 11.135 12.035 ( 5.038 3.490 -0.000) 6.129 12.356 ( 5.986 -7.145 0.000) 9.321 12.581 ( -2.698 2.215 -0.000) 3.491 12.706 ( 7.326 -1.102 0.000) 7.409 12.743 ( -7.741 -1.874 0.000) 7.965 12.843 ( 9.926 -6.941 0.000) 12.112 13.010 ( -15.645 -7.561 0.000) 17.377 13.178 ( 2.362 0.710 -0.000) 2.466 13.203 ( -1.865 2.465 -0.000) 3.091 13.472 ( -0.634 6.021 -0.000) 6.054 13.555 ( -2.471 1.121 -0.000) 2.713 13.738 ( 7.121 2.469 -0.000) 7.537 13.890 ( 1.554 3.742 -0.000) 4.052 14.171 ( -7.535 -3.122 0.000) 8.157 14.302 ( 4.472 -0.610 0.000) 4.513 14.540 ( -8.654 -8.539 0.000) 12.157 14.568 ( -2.898 -5.675 0.000) 6.372 14.858 ( -6.877 5.029 -0.000) 8.519 15.089 ( -7.655 5.340 -0.000) 9.333 15.296 ( -22.440 3.313 -0.000) 22.684 15.379 ( -2.189 1.770 -0.000) 2.815 15.563 ( -19.167 0.613 -0.000) 19.177 15.690 ( -5.141 1.395 -0.000) 5.327 15.885 ( -6.981 -4.339 0.000) 8.219 16.064 ( -1.430 9.790 -0.000) 9.894 16.484 ( 3.316 -0.176 0.000) 3.321 16.505 ( -2.659 2.312 -0.000) 3.524 16.535 ( 2.800 -2.192 0.000) 3.556 16.892 ( 6.604 0.792 -0.000) 6.651 16.938 ( -8.298 0.734 -0.000) 8.330 17.191 ( -9.599 -1.528 0.000) 9.720 17.639 ( -6.054 -4.750 0.000) 7.695 17.685 ( -3.338 2.348 -0.000) 4.081 17.758 ( -10.834 -2.886 0.000) 11.212 17.937 ( -2.294 5.118 -0.000) 5.609 18.298 ( -3.595 -2.495 0.000) 4.376 18.455 ( -3.556 0.844 -0.000) 3.654 19.835 ( 18.446 -4.757 0.000) 19.049 19.991 ( 16.098 -9.357 0.000) 18.620 20.740 ( 0.690 -7.207 0.000) 7.240 21.211 ( -5.566 19.726 -0.000) 20.496 22.346 ( 6.323 -7.142 0.000) 9.539 22.641 ( 12.923 8.925 -0.000) 15.705 23.316 ( -16.624 -13.583 0.000) 21.468 23.823 ( -17.706 12.035 -0.000) 21.409 25.534 ( 1.630 2.689 -0.000) 3.144 25.687 ( 0.248 2.392 -0.000) 2.405 25.699 ( 0.066 -2.848 0.000) 2.849 25.755 ( -2.639 -5.873 0.000) 6.439 ======================= Grid point 67 (54/84) ======================= q-point: ( 0.15 -0.15 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.718 ( 1.269 -1.208 0.000) 1.752 2.866 ( -1.177 1.654 -0.000) 2.030 3.170 ( -11.247 -0.608 0.000) 11.263 3.246 ( -13.419 -2.585 0.000) 13.666 3.288 ( 3.850 2.157 -0.000) 4.413 3.573 ( 2.333 8.292 -0.000) 8.614 3.763 ( 5.281 0.810 -0.000) 5.343 3.768 ( 3.885 10.639 -0.000) 11.326 4.198 ( 4.369 -5.450 0.000) 6.985 4.259 ( 0.092 2.592 -0.000) 2.594 4.518 ( 4.858 -10.664 0.000) 11.718 4.692 ( -2.302 -5.657 0.000) 6.108 6.670 ( -1.995 -6.012 0.000) 6.335 6.766 ( 3.718 -5.674 0.000) 6.784 7.182 ( -3.295 -11.410 0.000) 11.877 7.887 ( 5.105 1.987 -0.000) 5.478 7.996 ( 7.319 -3.171 0.000) 7.976 8.223 ( -7.351 2.566 -0.000) 7.786 8.301 ( -7.632 1.394 -0.000) 7.759 8.507 ( -15.822 -3.503 0.000) 16.205 8.601 ( 11.209 5.385 -0.000) 12.435 8.756 ( -22.326 0.331 -0.000) 22.328 9.012 ( 11.162 6.845 -0.000) 13.094 9.017 ( 22.419 4.304 -0.000) 22.829 9.274 ( -3.263 -5.310 0.000) 6.232 9.345 ( -2.393 1.231 -0.000) 2.691 9.448 ( -19.011 -2.432 0.000) 19.166 9.615 ( 11.128 3.609 -0.000) 11.699 9.812 ( -2.027 2.402 -0.000) 3.143 9.917 ( 15.937 6.722 -0.000) 17.297 10.034 ( -11.284 1.854 -0.000) 11.436 10.126 ( 0.376 9.544 -0.000) 9.551 10.164 ( 11.584 0.082 -0.000) 11.584 10.301 ( 19.012 -0.592 0.000) 19.021 10.521 ( 13.708 -1.361 0.000) 13.776 10.522 ( -8.946 -4.776 0.000) 10.141 10.615 ( 2.146 -3.951 0.000) 4.496 10.658 ( -18.689 -3.293 0.000) 18.977 10.932 ( -13.603 0.724 -0.000) 13.622 11.054 ( 13.403 -3.601 0.000) 13.878 11.266 ( -7.138 -0.995 0.000) 7.207 11.416 ( 3.347 7.618 -0.000) 8.321 11.590 ( -4.105 -6.188 0.000) 7.426 11.742 ( -4.142 3.931 -0.000) 5.710 11.832 ( -0.349 5.398 -0.000) 5.409 12.045 ( -13.702 -4.140 0.000) 14.314 12.177 ( 12.314 -9.187 0.000) 15.364 12.190 ( -3.320 5.769 -0.000) 6.656 12.449 ( -6.153 2.699 -0.000) 6.719 12.619 ( 10.699 6.900 -0.000) 12.731 12.624 ( -2.755 -2.356 0.000) 3.625 12.749 ( 13.772 9.144 -0.000) 16.531 13.051 ( 10.363 -4.616 0.000) 11.345 13.163 ( -10.518 4.532 -0.000) 11.453 13.388 ( 8.240 1.260 -0.000) 8.335 13.472 ( -4.503 2.431 -0.000) 5.118 13.546 ( -17.880 -3.911 0.000) 18.303 13.582 ( -21.448 -1.154 0.000) 21.479 13.612 ( 17.240 1.462 -0.000) 17.302 13.758 ( 8.481 1.352 -0.000) 8.588 14.096 ( -1.031 -12.090 0.000) 12.134 14.117 ( 21.853 -0.078 -0.000) 21.854 14.148 ( -7.831 -0.870 0.000) 7.879 14.309 ( -9.692 -6.151 0.000) 11.479 14.524 ( 11.484 -2.445 0.000) 11.741 14.641 ( -9.925 2.587 -0.000) 10.256 14.729 ( -9.521 -0.473 0.000) 9.533 14.820 ( -1.400 0.247 -0.000) 1.421 15.519 ( -4.829 -3.072 0.000) 5.724 15.626 ( 0.060 -1.859 0.000) 1.860 15.842 ( 8.757 3.106 -0.000) 9.292 16.009 ( -9.117 5.156 -0.000) 10.474 16.445 ( 2.091 -1.872 0.000) 2.807 16.654 ( -4.498 3.077 -0.000) 5.450 16.735 ( -3.190 0.983 -0.000) 3.338 16.897 ( 2.012 2.767 -0.000) 3.421 16.948 ( 0.485 -3.167 0.000) 3.204 16.973 ( 4.626 -0.561 0.000) 4.660 17.317 ( 0.668 -3.220 0.000) 3.288 17.520 ( 1.043 1.662 -0.000) 1.962 17.645 ( 1.653 -3.605 0.000) 3.966 17.894 ( -2.788 2.257 -0.000) 3.587 18.183 ( 1.453 -2.480 0.000) 2.875 18.371 ( -1.055 1.713 -0.000) 2.012 20.267 ( 10.167 -5.419 0.000) 11.521 20.503 ( 13.834 -0.001 -0.000) 13.834 20.762 ( 2.083 4.132 -0.000) 4.627 21.098 ( -22.266 13.178 -0.000) 25.874 22.324 ( 2.789 -12.626 0.000) 12.930 22.372 ( -4.005 -16.944 0.000) 17.411 23.452 ( -19.662 12.626 -0.000) 23.367 23.593 ( 20.187 11.810 -0.000) 23.388 25.502 ( -0.312 -5.536 0.000) 5.545 25.613 ( -2.536 -0.899 0.000) 2.691 25.623 ( 0.513 -0.701 0.000) 0.869 25.812 ( 4.243 1.895 -0.000) 4.647 ======================= Grid point 68 (55/84) ======================= q-point: ( 0.65 -0.15 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.707 ( -15.626 5.788 -5.236) 17.466 2.799 ( -12.592 -0.962 6.258) 14.094 2.988 ( -9.683 3.579 6.524) 12.212 3.152 ( -0.857 -8.096 -4.804) 9.453 3.324 ( 1.700 1.519 4.126) 4.714 3.407 ( -1.176 -8.000 -0.532) 8.103 3.604 ( 8.071 0.597 -1.876) 8.307 3.664 ( 6.998 -5.025 -3.040) 9.136 4.349 ( -7.583 7.480 10.492) 14.951 4.459 ( -6.430 -2.239 -10.603) 12.601 4.648 ( 5.687 5.581 -6.568) 10.326 4.708 ( 4.478 0.167 5.959) 7.456 6.994 ( -7.737 8.331 -4.421) 12.199 7.078 ( -4.069 2.350 0.912) 4.787 7.227 ( 0.181 6.913 12.618) 14.389 7.327 ( 5.048 -2.205 -9.647) 11.109 8.026 ( -20.296 5.571 0.524) 21.053 8.098 ( -12.850 -1.190 2.854) 13.216 8.294 ( -4.011 2.216 -0.144) 4.585 8.398 ( -2.755 -6.013 -4.629) 8.073 8.497 ( -6.538 1.544 1.077) 6.804 8.527 ( -8.269 -2.953 5.639) 10.435 8.872 ( -0.045 -5.642 -0.541) 5.668 8.949 ( -2.892 -11.175 -3.798) 12.152 9.179 ( -13.357 6.178 6.493) 16.085 9.314 ( -16.747 -5.723 -4.764) 18.327 9.529 ( 5.358 4.458 3.483) 7.792 9.606 ( -1.231 -2.343 -4.947) 5.610 9.678 ( 4.871 5.683 0.635) 7.512 9.810 ( 1.450 -4.606 -0.707) 4.880 9.968 ( 4.697 0.172 -0.163) 4.703 10.026 ( -5.316 -3.507 -2.481) 6.835 10.202 ( 1.071 6.297 -0.517) 6.409 10.352 ( 6.433 -6.936 -2.883) 9.890 10.405 ( -2.777 8.819 -1.206) 9.324 10.530 ( -5.081 -3.232 4.769) 7.681 10.675 ( -4.005 2.426 -1.685) 4.976 10.802 ( -6.818 -7.541 2.325) 10.429 11.020 ( 9.019 5.836 2.131) 10.952 11.134 ( 7.457 -3.948 -1.966) 8.664 11.325 ( -3.575 0.687 -6.632) 7.565 11.383 ( -0.144 -3.951 4.752) 6.181 11.607 ( 9.533 2.679 1.579) 10.028 11.677 ( 7.281 -2.437 1.114) 7.758 11.811 ( -7.811 7.956 0.531) 11.162 11.987 ( -11.531 -8.332 1.808) 14.341 12.166 ( -3.823 3.637 2.019) 5.649 12.228 ( -6.787 -0.419 -0.536) 6.821 12.327 ( 1.806 0.484 3.239) 3.740 12.369 ( -4.752 -2.359 -5.982) 7.996 12.642 ( 11.119 1.847 -1.214) 11.337 12.712 ( 7.473 -4.675 -1.351) 8.917 13.038 ( -18.531 4.742 2.475) 19.287 13.139 ( -12.360 -4.875 -3.863) 13.837 13.311 ( -2.799 2.408 -2.681) 4.563 13.333 ( -1.774 1.341 -2.265) 3.174 13.385 ( 1.690 -1.770 3.957) 4.652 13.423 ( 1.243 -4.292 2.936) 5.346 13.869 ( -0.893 3.766 2.972) 4.880 13.932 ( 0.216 -1.955 -2.061) 2.849 14.069 ( 3.544 3.979 -1.090) 5.439 14.140 ( 3.621 -2.702 0.374) 4.533 14.506 ( 0.954 8.049 -0.656) 8.132 14.560 ( 18.086 3.844 -2.656) 18.680 14.656 ( 17.693 0.098 2.228) 17.833 14.670 ( 1.023 -1.863 2.407) 3.211 14.880 ( 19.044 1.617 0.007) 19.113 14.945 ( 13.498 -3.421 1.784) 14.038 15.575 ( -3.736 2.076 3.644) 5.616 15.631 ( -6.431 -2.981 -3.291) 7.815 15.784 ( 5.399 6.430 -1.079) 8.465 15.939 ( 6.797 -7.589 2.332) 10.451 16.571 ( -4.926 1.676 -3.081) 6.047 16.614 ( -5.535 -2.294 3.047) 6.722 16.794 ( -2.541 3.405 2.757) 5.065 16.845 ( 2.080 -1.629 0.400) 2.672 16.934 ( -1.499 1.772 2.180) 3.184 16.991 ( -0.157 -3.414 -6.079) 6.973 17.238 ( 9.034 3.580 -0.892) 9.759 17.311 ( 9.786 -3.233 0.928) 10.348 18.051 ( 0.553 3.610 2.801) 4.603 18.131 ( 0.265 -3.459 -3.115) 4.663 18.143 ( 4.545 3.928 -3.046) 6.735 18.218 ( 3.989 -2.770 3.517) 5.996 20.304 ( -12.271 1.926 -5.811) 13.713 20.338 ( -16.419 -0.730 -2.094) 16.568 20.702 ( 5.667 6.977 0.514) 9.003 20.923 ( 9.834 -13.745 5.568) 17.795 22.551 ( -8.715 14.179 -2.177) 16.785 22.853 ( -14.420 -13.680 2.895) 20.086 22.995 ( 12.654 24.080 4.449) 27.564 23.493 ( 15.941 -22.780 -4.544) 28.172 25.600 ( -0.848 2.454 0.551) 2.655 25.629 ( -1.202 1.363 1.526) 2.374 25.684 ( 1.103 2.326 0.353) 2.598 25.760 ( 2.805 -3.285 -2.885) 5.195 ======================= Grid point 69 (56/84) ======================= q-point: ( 0.15 -0.15 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( -28.049 0.000 0.000) 28.049 2.179 ( -30.845 0.000 0.000) 30.845 2.774 ( -27.391 0.000 0.000) 27.391 2.851 ( 0.413 -0.000 -0.000) 0.413 3.156 ( 5.049 -0.000 -0.000) 5.049 3.753 ( -2.070 0.000 0.000) 2.070 3.987 ( -0.832 0.000 0.000) 0.832 4.134 ( 8.076 -0.000 -0.000) 8.076 4.309 ( 2.950 -0.000 -0.000) 2.950 4.454 ( -4.616 0.000 0.000) 4.616 4.482 ( 1.846 -0.000 -0.000) 1.846 4.628 ( 8.778 -0.000 -0.000) 8.778 6.581 ( -4.857 0.000 0.000) 4.857 6.642 ( -9.585 0.000 0.000) 9.585 6.802 ( 1.522 -0.000 -0.000) 1.522 7.529 ( -11.949 0.000 0.000) 11.949 7.663 ( -18.557 0.000 0.000) 18.557 7.803 ( -15.398 0.000 0.000) 15.398 8.069 ( -8.159 0.000 0.000) 8.159 8.167 ( -28.169 0.000 0.000) 28.169 8.426 ( 13.428 -0.000 -0.000) 13.428 8.603 ( 19.449 -0.000 -0.000) 19.449 8.647 ( -14.049 0.000 0.000) 14.049 8.861 ( -28.562 0.000 0.000) 28.562 9.023 ( -25.500 0.000 0.000) 25.500 9.442 ( -8.423 0.000 0.000) 8.423 9.476 ( 15.556 -0.000 -0.000) 15.556 9.557 ( 1.501 -0.000 -0.000) 1.501 9.679 ( -33.421 0.000 0.000) 33.421 9.909 ( 1.322 -0.000 -0.000) 1.322 10.009 ( -11.780 0.000 0.000) 11.780 10.161 ( 21.696 -0.000 -0.000) 21.696 10.189 ( 4.671 -0.000 -0.000) 4.671 10.317 ( 1.581 -0.000 -0.000) 1.581 10.490 ( 8.129 -0.000 -0.000) 8.129 10.510 ( 6.247 -0.000 -0.000) 6.247 10.697 ( -7.383 0.000 0.000) 7.383 10.886 ( 0.290 -0.000 -0.000) 0.290 11.038 ( -4.668 0.000 0.000) 4.668 11.365 ( 0.545 -0.000 -0.000) 0.545 11.376 ( 15.471 -0.000 -0.000) 15.471 11.378 ( -11.501 0.000 0.000) 11.501 11.511 ( 2.870 -0.000 -0.000) 2.870 11.583 ( 7.311 -0.000 -0.000) 7.311 11.744 ( -18.952 0.000 0.000) 18.952 11.963 ( 11.149 -0.000 -0.000) 11.149 12.112 ( 4.325 -0.000 -0.000) 4.325 12.142 ( -3.874 0.000 0.000) 3.874 12.229 ( -21.524 0.000 0.000) 21.524 12.353 ( 3.569 -0.000 -0.000) 3.569 12.658 ( 3.633 -0.000 -0.000) 3.633 12.853 ( 0.520 -0.000 -0.000) 0.520 13.036 ( 0.307 -0.000 -0.000) 0.307 13.140 ( 6.288 -0.000 -0.000) 6.288 13.311 ( -4.210 0.000 0.000) 4.210 13.356 ( -3.565 0.000 0.000) 3.565 13.469 ( 8.212 -0.000 -0.000) 8.212 13.616 ( -1.558 0.000 0.000) 1.558 13.629 ( -10.554 0.000 0.000) 10.554 13.842 ( -0.553 0.000 0.000) 0.553 13.956 ( 9.008 -0.000 -0.000) 9.008 14.297 ( -9.157 0.000 0.000) 9.157 14.432 ( 14.209 -0.000 -0.000) 14.209 14.468 ( 12.543 -0.000 -0.000) 12.543 14.483 ( -0.439 0.000 0.000) 0.439 14.889 ( 3.304 -0.000 -0.000) 3.304 15.192 ( 19.344 -0.000 -0.000) 19.344 15.370 ( -2.367 0.000 0.000) 2.367 15.548 ( -2.075 0.000 0.000) 2.075 15.589 ( 33.537 -0.000 -0.000) 33.537 15.720 ( -5.669 0.000 0.000) 5.669 16.087 ( -0.099 0.000 0.000) 0.099 16.466 ( -3.525 0.000 0.000) 3.525 16.490 ( 2.716 -0.000 -0.000) 2.716 16.683 ( -1.807 0.000 0.000) 1.807 16.719 ( -3.845 0.000 0.000) 3.845 16.925 ( 7.033 -0.000 -0.000) 7.033 17.395 ( 8.227 -0.000 -0.000) 8.227 17.575 ( 2.055 -0.000 -0.000) 2.055 17.702 ( 12.054 -0.000 -0.000) 12.054 17.782 ( 4.578 -0.000 -0.000) 4.578 17.887 ( 1.204 -0.000 -0.000) 1.204 18.310 ( 5.419 -0.000 -0.000) 5.419 18.419 ( 2.091 -0.000 -0.000) 2.091 20.034 ( -29.065 0.000 0.000) 29.065 20.567 ( 7.553 -0.000 -0.000) 7.553 21.009 ( 3.461 -0.000 -0.000) 3.461 21.036 ( 9.567 -0.000 -0.000) 9.567 22.135 ( -1.584 0.000 0.000) 1.584 22.279 ( 2.396 -0.000 -0.000) 2.396 22.718 ( -19.637 0.000 0.000) 19.637 24.592 ( 20.693 -0.000 -0.000) 20.693 25.464 ( -0.081 0.000 0.000) 0.081 25.529 ( -0.719 0.000 0.000) 0.719 25.592 ( -0.683 0.000 0.000) 0.683 25.994 ( 2.062 -0.000 -0.000) 2.062 ======================= Grid point 72 (57/84) ======================= q-point: ( 0.42 -0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( 0.000 23.645 9.713) 25.562 2.097 ( 0.000 9.667 2.646) 10.023 2.325 ( -0.000 0.483 -7.645) 7.660 2.383 ( -0.000 -18.903 -21.171) 28.382 3.031 ( 0.000 -11.662 5.214) 12.775 3.287 ( 0.000 24.838 3.479) 25.080 3.529 ( -0.000 -19.297 -9.867) 21.673 3.821 ( 0.000 -10.765 13.974) 17.640 3.994 ( -0.000 5.565 -7.198) 9.098 4.252 ( 0.000 -2.623 14.680) 14.913 4.669 ( -0.000 9.735 -5.816) 11.340 4.669 ( -0.000 -3.937 -1.966) 4.401 6.317 ( 0.000 -9.545 11.288) 14.783 6.394 ( -0.000 -17.507 0.517) 17.515 6.840 ( 0.000 -0.356 3.078) 3.099 7.080 ( -0.000 5.096 -2.913) 5.870 7.366 ( 0.000 6.253 1.447) 6.419 7.487 ( -0.000 -11.614 -8.642) 14.476 7.549 ( 0.000 10.043 3.959) 10.795 7.626 ( -0.000 -2.707 -1.626) 3.158 7.829 ( 0.000 8.455 0.853) 8.498 7.859 ( -0.000 -4.370 -7.948) 9.070 8.232 ( 0.000 12.382 -2.210) 12.577 8.243 ( 0.000 4.619 -1.384) 4.822 8.912 ( -0.000 -21.227 1.202) 21.261 9.125 ( 0.000 5.036 -0.396) 5.051 9.147 ( -0.000 -1.977 -7.152) 7.420 9.367 ( 0.000 13.867 1.172) 13.917 9.636 ( 0.000 -3.077 5.168) 6.014 9.944 ( 0.000 14.590 6.452) 15.953 10.051 ( 0.000 4.512 17.080) 17.666 10.215 ( -0.000 1.589 -7.352) 7.522 10.238 ( -0.000 -8.312 -4.999) 9.699 10.594 ( -0.000 -8.639 -11.448) 14.341 10.627 ( 0.000 -5.898 7.845) 9.814 10.731 ( -0.000 -14.404 0.141) 14.404 10.949 ( -0.000 1.921 -2.246) 2.955 10.958 ( 0.000 0.485 -0.158) 0.510 11.001 ( 0.000 6.565 0.032) 6.565 11.040 ( 0.000 11.276 -0.430) 11.284 11.131 ( 0.000 8.473 3.973) 9.358 11.207 ( 0.000 -2.070 2.923) 3.582 11.275 ( -0.000 -1.468 -5.323) 5.522 11.559 ( -0.000 10.553 -7.908) 13.187 11.816 ( 0.000 2.400 4.363) 4.980 11.835 ( -0.000 -4.237 0.616) 4.281 11.930 ( 0.000 8.966 9.139) 12.803 12.025 ( -0.000 -14.954 -7.611) 16.780 12.281 ( 0.000 -14.146 7.288) 15.913 12.419 ( 0.000 0.290 -0.092) 0.304 12.522 ( -0.000 -8.208 -4.695) 9.456 12.619 ( 0.000 0.831 1.718) 1.909 12.981 ( -0.000 -6.520 1.455) 6.681 13.182 ( -0.000 2.263 -3.201) 3.920 13.264 ( 0.000 0.536 1.677) 1.761 13.461 ( 0.000 8.067 4.267) 9.126 13.506 ( -0.000 0.684 -8.789) 8.815 13.583 ( 0.000 3.296 -1.004) 3.445 13.770 ( 0.000 0.030 1.708) 1.708 14.037 ( -0.000 6.927 -6.771) 9.687 14.082 ( 0.000 -2.017 13.656) 13.805 14.436 ( 0.000 -0.027 3.556) 3.556 14.690 ( -0.000 -3.246 -1.703) 3.666 14.742 ( -0.000 -6.200 -8.416) 10.453 15.022 ( -0.000 -6.764 0.477) 6.781 15.097 ( -0.000 -4.613 -0.046) 4.613 15.301 ( 0.000 4.993 3.767) 6.254 15.669 ( -0.000 11.612 -7.017) 13.568 16.016 ( -0.000 -12.279 -3.716) 12.829 16.100 ( 0.000 7.357 3.122) 7.992 16.266 ( 0.000 5.602 8.016) 9.780 16.325 ( 0.000 3.998 9.592) 10.392 16.530 ( -0.000 0.370 -6.242) 6.253 16.567 ( -0.000 -2.857 -2.522) 3.811 16.676 ( 0.000 -3.980 4.393) 5.927 17.080 ( -0.000 1.569 -11.200) 11.309 17.441 ( -0.000 -4.685 1.085) 4.809 17.672 ( -0.000 1.353 -1.733) 2.199 17.958 ( 0.000 3.932 3.685) 5.389 18.109 ( -0.000 1.651 -1.283) 2.091 18.119 ( 0.000 2.642 1.882) 3.244 18.342 ( -0.000 0.472 -7.780) 7.795 18.468 ( 0.000 -0.756 0.843) 1.132 18.510 ( 0.000 -0.846 0.396) 0.934 18.674 ( 0.000 -3.081 2.502) 3.969 18.833 ( -0.000 2.663 -2.336) 3.542 20.731 ( 0.000 -12.890 7.649) 14.989 21.302 ( 0.000 17.078 -3.620) 17.458 22.153 ( 0.000 1.170 2.316) 2.595 22.203 ( -0.000 -1.864 -1.510) 2.399 24.224 ( -0.000 -15.987 3.910) 16.458 24.651 ( -0.000 4.112 -4.812) 6.330 25.535 ( -0.000 -3.546 0.431) 3.572 25.580 ( 0.000 1.245 1.509) 1.956 25.638 ( 0.000 4.660 -0.839) 4.735 25.708 ( 0.000 5.474 -0.965) 5.558 ======================= Grid point 74 (58/84) ======================= q-point: (-0.58 -0.18 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( 8.988 -6.605 -19.589) 22.542 2.319 ( 13.935 -9.410 -19.280) 25.582 2.679 ( 10.245 11.172 -2.755) 15.407 3.013 ( 9.925 9.122 8.377) 15.871 3.071 ( 7.188 -2.592 6.584) 10.087 3.255 ( 6.952 1.624 15.901) 17.430 3.756 ( 8.245 -4.256 -6.541) 11.352 3.940 ( 0.326 0.473 -2.256) 2.328 4.053 ( -0.154 3.429 3.062) 4.600 4.385 ( -6.128 -2.762 -3.527) 7.590 4.409 ( 8.392 -5.689 12.165) 15.836 4.773 ( -5.045 1.429 -0.522) 5.269 6.205 ( 9.345 -11.232 8.116) 16.713 6.704 ( 23.960 -4.772 1.758) 24.493 7.088 ( -3.826 -5.243 -4.905) 8.136 7.360 ( 2.520 0.790 -4.574) 5.282 7.528 ( 4.701 -2.296 -1.494) 5.441 7.544 ( 19.735 9.598 2.238) 22.059 7.822 ( 9.899 -3.988 2.967) 11.077 8.001 ( 16.393 -1.299 -6.980) 17.865 8.044 ( 8.977 -2.120 -3.760) 9.961 8.262 ( 13.635 6.034 -6.119) 16.117 8.443 ( 5.498 -6.700 9.408) 12.791 8.770 ( 14.711 6.416 -1.586) 16.127 8.859 ( 16.943 1.780 2.922) 17.285 8.958 ( 0.982 -1.524 -10.079) 10.241 9.268 ( -4.298 13.660 0.116) 14.321 9.596 ( -0.540 2.202 2.673) 3.505 9.804 ( -7.511 -0.148 4.992) 9.020 9.935 ( -1.784 5.657 -1.217) 6.055 10.024 ( -3.717 3.844 5.154) 7.426 10.067 ( -3.947 -2.925 2.236) 5.398 10.211 ( -1.794 -1.287 -0.655) 2.303 10.254 ( 3.015 -2.747 1.513) 4.350 10.370 ( 1.088 -10.511 0.640) 10.587 10.550 ( -0.899 -3.487 3.229) 4.837 10.803 ( -11.474 1.068 4.661) 12.431 11.024 ( -1.859 3.395 -4.473) 5.915 11.069 ( -2.776 1.495 -2.962) 4.326 11.273 ( -0.163 -0.217 -3.619) 3.629 11.307 ( 2.597 4.496 2.387) 5.715 11.365 ( 7.545 2.041 -1.932) 8.052 11.487 ( 4.493 6.664 4.003) 8.979 11.618 ( 3.520 -0.390 -1.498) 3.845 11.753 ( 0.399 2.417 -5.061) 5.622 11.900 ( 6.825 -3.314 -0.083) 7.588 11.976 ( 3.924 -2.209 2.963) 5.391 12.103 ( 3.602 -1.825 1.499) 4.308 12.214 ( -4.362 -0.719 3.277) 5.503 12.396 ( 7.113 -1.315 -4.507) 8.523 12.463 ( 3.227 -4.016 -3.710) 6.349 12.748 ( 3.841 -0.061 8.618) 9.436 12.884 ( -1.578 -1.174 1.968) 2.782 13.136 ( -0.893 1.873 -1.037) 2.319 13.309 ( -7.798 2.944 2.977) 8.851 13.368 ( -11.188 -0.571 -1.619) 11.319 13.486 ( -0.302 0.008 -7.682) 7.688 13.584 ( 4.619 1.424 3.501) 5.968 13.773 ( -4.372 2.128 5.402) 7.268 13.893 ( 2.509 3.384 -4.091) 5.872 14.107 ( -1.267 -3.294 -3.452) 4.936 14.376 ( -4.895 -4.347 4.515) 7.953 14.424 ( -3.271 -1.446 -3.536) 5.029 14.620 ( -6.558 -7.787 3.213) 10.676 14.847 ( 3.515 -4.030 -2.205) 5.784 15.184 ( 1.175 0.036 -2.059) 2.371 15.424 ( 1.160 4.106 1.478) 4.516 15.774 ( -9.963 6.712 -6.628) 13.721 15.835 ( -3.471 -3.798 -4.042) 6.543 15.888 ( -8.410 2.326 1.825) 8.914 15.978 ( -20.481 -2.129 -6.774) 21.676 16.259 ( -5.212 2.266 -0.994) 5.770 16.366 ( 3.238 -2.875 3.898) 5.826 16.504 ( -1.383 0.550 6.523) 6.690 16.767 ( 5.805 1.531 -2.271) 6.419 16.798 ( -13.157 2.395 -5.265) 14.372 17.140 ( -7.661 -0.332 2.257) 7.993 17.382 ( -10.821 2.078 -5.675) 12.394 17.537 ( -10.942 -4.074 -3.597) 12.218 17.878 ( -7.324 3.814 -5.597) 9.976 18.006 ( -7.607 -1.423 10.812) 13.296 18.190 ( -3.413 2.749 6.286) 7.663 18.321 ( -4.621 -1.092 -2.571) 5.400 18.439 ( -0.803 -2.285 -4.025) 4.697 19.464 ( 20.628 -0.301 9.070) 22.536 19.494 ( 19.077 -2.492 -0.560) 19.247 20.568 ( 2.182 -6.583 4.263) 8.140 21.684 ( -1.124 20.993 -2.434) 21.163 22.196 ( 1.270 -2.037 1.442) 2.800 22.465 ( 13.207 2.804 -2.023) 13.652 23.225 ( -21.125 -23.524 -5.170) 32.037 24.489 ( -11.798 14.835 0.730) 18.969 25.519 ( 0.969 -7.005 0.025) 7.071 25.616 ( 0.664 1.939 1.306) 2.431 25.713 ( -3.764 0.764 -1.599) 4.160 25.777 ( 0.225 0.649 2.413) 2.509 ======================= Grid point 76 (59/84) ======================= q-point: (-0.58 -0.18 0.58) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.545 ( 12.488 -0.000 -2.664) 12.769 2.972 ( 16.296 -0.000 -12.319) 20.428 3.032 ( -1.959 0.000 13.267) 13.411 3.241 ( 7.386 -0.000 -9.028) 11.664 3.488 ( 1.633 -0.000 -9.502) 9.641 3.552 ( -15.521 0.000 4.856) 16.263 3.678 ( 4.602 0.000 8.892) 10.012 3.914 ( 2.500 -0.000 -3.860) 4.599 4.111 ( 2.836 0.000 10.707) 11.076 4.244 ( 5.675 -0.000 -1.131) 5.786 4.424 ( -8.285 0.000 2.219) 8.578 4.612 ( 0.092 -0.000 -1.810) 1.812 6.591 ( 11.875 0.000 6.987) 13.778 6.770 ( -5.221 0.000 6.227) 8.126 7.157 ( -6.425 0.000 2.358) 6.844 7.415 ( 0.505 -0.000 -23.371) 23.377 7.902 ( 21.833 -0.000 -0.571) 21.840 8.096 ( 15.503 -0.000 0.625) 15.515 8.371 ( 10.512 -0.000 4.136) 11.296 8.484 ( -9.170 -0.000 -10.009) 13.574 8.617 ( 20.016 -0.000 1.663) 20.085 8.890 ( -8.734 0.000 0.405) 8.743 8.939 ( 3.440 0.000 3.359) 4.807 9.172 ( -6.551 -0.000 -3.431) 7.395 9.280 ( 32.162 -0.000 -1.894) 32.218 9.302 ( -22.316 0.000 -1.167) 22.347 9.480 ( 31.721 -0.000 0.468) 31.724 9.518 ( -8.634 0.000 3.437) 9.293 9.652 ( -2.745 0.000 5.627) 6.261 9.748 ( 11.473 -0.000 0.008) 11.473 9.935 ( -18.447 0.000 -0.040) 18.447 10.001 ( 10.549 0.000 8.775) 13.721 10.031 ( 24.134 -0.000 1.810) 24.201 10.195 ( 3.834 0.000 1.725) 4.204 10.334 ( -3.740 0.000 3.799) 5.331 10.667 ( 8.141 -0.000 -5.222) 9.672 10.762 ( -9.807 0.000 -1.010) 9.859 10.913 ( -18.208 0.000 0.185) 18.208 11.053 ( -17.900 0.000 1.511) 17.964 11.119 ( -7.380 -0.000 -3.977) 8.383 11.465 ( 22.128 -0.000 0.780) 22.141 11.516 ( -3.129 0.000 0.180) 3.134 11.585 ( -8.231 0.000 5.750) 10.041 11.613 ( 4.240 -0.000 -5.663) 7.074 11.743 ( 1.221 -0.000 -3.177) 3.403 12.055 ( -3.615 0.000 6.153) 7.136 12.256 ( 16.884 -0.000 -2.796) 17.114 12.293 ( -12.586 -0.000 -8.224) 15.035 12.316 ( 7.320 -0.000 -9.179) 11.740 12.424 ( -1.539 0.000 5.624) 5.831 12.599 ( -2.258 -0.000 -3.305) 4.003 12.748 ( 24.263 -0.000 6.207) 25.045 12.810 ( 0.354 0.000 7.690) 7.698 13.064 ( 10.040 0.000 5.600) 11.496 13.425 ( 11.465 -0.000 1.583) 11.574 13.450 ( 3.705 -0.000 0.003) 3.705 13.471 ( -4.345 0.000 -0.698) 4.401 13.556 ( -4.200 -0.000 -8.659) 9.624 13.828 ( -11.954 0.000 3.945) 12.588 13.898 ( 4.693 -0.000 -1.776) 5.017 13.924 ( -6.647 -0.000 -5.691) 8.750 14.135 ( 2.891 0.000 5.472) 6.188 14.217 ( -14.159 0.000 9.124) 16.844 14.279 ( 1.826 -0.000 -5.971) 6.244 14.724 ( -28.389 0.000 -2.637) 28.511 14.823 ( -1.731 -0.000 -4.120) 4.469 14.911 ( -19.923 0.000 -4.655) 20.460 15.009 ( -14.918 0.000 -1.366) 14.980 15.621 ( -1.656 -0.000 -3.274) 3.669 15.646 ( -7.981 0.000 0.864) 8.028 15.690 ( 9.413 -0.000 1.872) 9.597 16.217 ( -8.793 -0.000 -5.552) 10.399 16.435 ( 2.795 0.000 5.961) 6.584 16.672 ( 10.098 -0.000 -1.581) 10.221 16.705 ( 7.424 0.000 3.465) 8.193 16.874 ( -4.350 0.000 8.439) 9.495 16.942 ( 0.685 -0.000 -3.170) 3.243 17.063 ( -8.195 0.000 2.425) 8.546 17.126 ( -3.297 -0.000 -13.567) 13.962 17.528 ( -9.213 -0.000 -9.366) 13.138 17.758 ( -2.318 0.000 13.908) 14.100 18.090 ( -3.786 0.000 6.592) 7.602 18.131 ( -1.813 -0.000 -2.249) 2.888 18.368 ( -1.247 -0.000 -4.891) 5.048 20.060 ( 10.425 0.000 8.018) 13.152 20.207 ( 15.860 -0.000 4.203) 16.407 20.673 ( 6.694 -0.000 -1.697) 6.906 21.733 ( -24.787 -0.000 -13.038) 28.007 22.115 ( 3.352 0.000 1.511) 3.677 22.244 ( -3.305 0.000 3.712) 4.970 23.261 ( 21.004 -0.000 -2.351) 21.135 24.036 ( -19.990 0.000 1.168) 20.024 25.427 ( 1.075 0.000 1.525) 1.866 25.580 ( -1.930 -0.000 -3.068) 3.624 25.726 ( -2.200 0.000 5.135) 5.587 25.732 ( 3.304 -0.000 -1.417) 3.595 ======================= Grid point 82 (60/84) ======================= q-point: ( 0.20 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( 0.000 31.179 -0.000) 31.179 1.401 ( 0.000 32.340 -0.000) 32.340 2.421 ( 0.000 49.368 -0.000) 49.368 2.705 ( -0.000 -11.632 0.000) 11.632 2.989 ( -0.000 -11.779 0.000) 11.779 3.127 ( -0.000 -18.657 0.000) 18.657 3.992 ( 0.000 2.955 -0.000) 2.955 4.055 ( -0.000 -19.665 0.000) 19.665 4.089 ( -0.000 -0.494 0.000) 0.494 4.105 ( -0.000 -12.860 0.000) 12.860 4.539 ( 0.000 7.399 -0.000) 7.399 4.785 ( -0.000 -5.208 0.000) 5.208 6.223 ( 0.000 8.304 -0.000) 8.304 6.752 ( -0.000 -12.837 0.000) 12.837 6.943 ( 0.000 18.656 -0.000) 18.656 7.047 ( -0.000 -1.902 0.000) 1.902 7.064 ( -0.000 -19.759 0.000) 19.759 7.531 ( -0.000 -1.308 0.000) 1.308 7.634 ( 0.000 7.904 -0.000) 7.904 7.642 ( 0.000 7.872 -0.000) 7.872 7.742 ( -0.000 -4.915 0.000) 4.915 7.949 ( 0.000 6.420 -0.000) 6.420 8.101 ( 0.000 8.832 -0.000) 8.832 8.110 ( -0.000 -6.241 0.000) 6.241 9.043 ( 0.000 3.816 -0.000) 3.816 9.190 ( 0.000 3.668 -0.000) 3.668 9.295 ( -0.000 -2.667 0.000) 2.667 9.393 ( -0.000 -24.228 0.000) 24.228 9.461 ( 0.000 16.403 -0.000) 16.403 9.697 ( -0.000 -8.362 0.000) 8.362 9.786 ( 0.000 4.089 -0.000) 4.089 10.450 ( -0.000 -3.872 0.000) 3.872 10.487 ( 0.000 0.918 -0.000) 0.918 10.504 ( -0.000 -11.267 0.000) 11.267 10.728 ( 0.000 15.076 -0.000) 15.076 10.815 ( 0.000 9.448 -0.000) 9.448 10.889 ( -0.000 -7.497 0.000) 7.497 10.934 ( 0.000 3.222 -0.000) 3.222 10.949 ( 0.000 0.687 -0.000) 0.687 10.967 ( 0.000 0.569 -0.000) 0.569 10.995 ( -0.000 -7.895 0.000) 7.895 11.257 ( 0.000 9.125 -0.000) 9.125 11.342 ( -0.000 -9.651 0.000) 9.651 11.541 ( -0.000 -2.404 0.000) 2.404 11.663 ( 0.000 9.210 -0.000) 9.210 11.681 ( 0.000 1.250 -0.000) 1.250 11.892 ( -0.000 -1.660 0.000) 1.660 12.383 ( 0.000 5.300 -0.000) 5.300 12.409 ( -0.000 -10.894 0.000) 10.894 12.493 ( -0.000 -14.599 0.000) 14.599 12.661 ( -0.000 -4.207 0.000) 4.207 12.789 ( -0.000 -10.391 0.000) 10.391 13.098 ( -0.000 -4.352 0.000) 4.352 13.190 ( 0.000 2.110 -0.000) 2.110 13.219 ( 0.000 5.694 -0.000) 5.694 13.243 ( 0.000 1.763 -0.000) 1.763 13.528 ( 0.000 0.616 -0.000) 0.616 13.599 ( 0.000 3.146 -0.000) 3.146 13.716 ( 0.000 0.781 -0.000) 0.781 13.906 ( 0.000 1.650 -0.000) 1.650 13.931 ( 0.000 7.417 -0.000) 7.417 14.428 ( -0.000 -1.393 0.000) 1.393 14.714 ( 0.000 5.174 -0.000) 5.174 14.873 ( 0.000 4.900 -0.000) 4.900 15.095 ( -0.000 -1.770 0.000) 1.770 15.157 ( 0.000 1.574 -0.000) 1.574 15.238 ( -0.000 -7.424 0.000) 7.424 15.584 ( 0.000 2.778 -0.000) 2.778 15.885 ( 0.000 14.998 -0.000) 14.998 15.972 ( 0.000 4.453 -0.000) 4.453 16.177 ( 0.000 2.372 -0.000) 2.372 16.269 ( -0.000 -8.116 0.000) 8.116 16.583 ( -0.000 -0.325 0.000) 0.325 16.636 ( -0.000 -2.355 0.000) 2.355 16.710 ( -0.000 -2.845 0.000) 2.845 17.223 ( -0.000 -1.287 0.000) 1.287 17.520 ( -0.000 -3.544 0.000) 3.544 17.625 ( 0.000 0.979 -0.000) 0.979 17.817 ( 0.000 5.633 -0.000) 5.633 18.059 ( 0.000 3.966 -0.000) 3.966 18.074 ( 0.000 0.183 -0.000) 0.183 18.445 ( 0.000 2.321 -0.000) 2.321 18.449 ( -0.000 -1.536 0.000) 1.536 18.499 ( -0.000 -0.941 0.000) 0.941 18.726 ( -0.000 -3.510 0.000) 3.510 18.788 ( 0.000 3.816 -0.000) 3.816 20.936 ( -0.000 -13.797 0.000) 13.797 21.050 ( 0.000 10.780 -0.000) 10.780 22.100 ( 0.000 2.079 -0.000) 2.079 22.272 ( -0.000 -3.119 0.000) 3.119 24.451 ( -0.000 -8.912 0.000) 8.912 24.655 ( 0.000 1.920 -0.000) 1.920 25.506 ( 0.000 2.800 -0.000) 2.800 25.570 ( 0.000 2.256 -0.000) 2.256 25.606 ( -0.000 -3.439 0.000) 3.439 25.620 ( 0.000 3.570 -0.000) 3.570 ======================= Grid point 83 (61/84) ======================= q-point: (-0.30 -0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( 9.924 -0.000 -29.950) 31.551 1.405 ( 15.810 -0.000 -28.931) 32.969 2.269 ( 23.506 -0.000 -39.026) 45.558 2.735 ( 0.263 0.000 6.404) 6.409 3.130 ( 6.718 0.000 10.294) 12.292 3.523 ( 4.528 0.000 20.861) 21.347 3.583 ( 5.187 0.000 6.966) 8.685 3.969 ( 1.777 0.000 6.254) 6.502 4.278 ( -2.728 0.000 3.792) 4.671 4.379 ( -4.372 -0.000 -7.098) 8.336 4.560 ( 0.406 0.000 17.537) 17.541 4.773 ( -1.342 -0.000 -9.300) 9.397 6.091 ( 3.004 0.000 7.549) 8.125 6.445 ( 11.136 0.000 18.654) 21.725 6.808 ( -0.193 -0.000 -16.175) 16.176 7.124 ( 6.067 -0.000 -2.301) 6.489 7.331 ( 16.306 0.000 7.154) 17.806 7.456 ( 12.135 -0.000 -6.604) 13.815 7.632 ( 5.270 -0.000 -0.723) 5.320 7.652 ( 2.672 0.000 2.895) 3.940 7.862 ( 1.715 -0.000 -5.666) 5.920 8.337 ( 1.710 -0.000 -7.524) 7.715 8.348 ( -4.114 0.000 14.899) 15.456 8.411 ( 13.911 -0.000 -0.661) 13.926 8.530 ( 2.786 -0.000 -15.338) 15.589 8.897 ( 2.937 0.000 3.410) 4.500 9.428 ( 12.897 -0.000 -4.358) 13.614 9.652 ( -6.317 -0.000 -5.987) 8.703 9.909 ( 2.817 0.000 5.133) 5.855 10.020 ( -0.852 -0.000 -6.891) 6.944 10.068 ( 3.046 0.000 10.133) 10.581 10.097 ( -13.772 0.000 -3.702) 14.261 10.125 ( 0.770 0.000 2.060) 2.199 10.426 ( -2.540 0.000 12.322) 12.581 10.573 ( -5.536 0.000 9.760) 11.221 10.681 ( 3.701 0.000 1.933) 4.176 10.819 ( -6.676 -0.000 -9.419) 11.545 11.061 ( -4.610 -0.000 -4.063) 6.145 11.101 ( 6.194 -0.000 -1.461) 6.364 11.128 ( 3.586 -0.000 -2.627) 4.445 11.157 ( 0.160 -0.000 -1.539) 1.547 11.331 ( 4.503 -0.000 -10.007) 10.973 11.535 ( -0.975 0.000 3.725) 3.850 11.558 ( 8.772 -0.000 -3.204) 9.339 11.716 ( 0.535 -0.000 -7.136) 7.156 11.750 ( -3.912 0.000 5.345) 6.624 11.946 ( 6.833 -0.000 -0.860) 6.887 11.953 ( 2.285 0.000 10.694) 10.935 12.276 ( -0.252 -0.000 -0.509) 0.568 12.394 ( 2.129 0.000 8.956) 9.205 12.429 ( -3.174 0.000 8.035) 8.639 12.854 ( 4.669 0.000 9.211) 10.327 12.890 ( 1.754 0.000 4.745) 5.059 13.185 ( -1.524 0.000 2.533) 2.957 13.340 ( -0.286 -0.000 -7.887) 7.892 13.351 ( 3.444 -0.000 0.132) 3.447 13.530 ( -9.368 -0.000 -10.687) 14.211 13.710 ( -2.925 0.000 4.877) 5.687 13.796 ( -1.757 -0.000 -10.206) 10.356 13.964 ( -2.683 0.000 0.336) 2.704 14.148 ( -5.668 0.000 10.260) 11.721 14.385 ( -2.576 -0.000 -15.180) 15.398 14.407 ( -1.647 0.000 2.097) 2.666 14.653 ( 5.433 -0.000 -0.576) 5.463 14.732 ( -3.142 0.000 9.079) 9.607 15.054 ( 5.447 -0.000 -1.377) 5.619 15.503 ( -0.527 0.000 2.779) 2.828 15.592 ( 2.481 -0.000 -6.301) 6.771 15.964 ( -19.350 -0.000 -13.363) 23.516 15.978 ( -1.571 -0.000 -4.320) 4.597 16.234 ( -11.151 -0.000 -8.383) 13.951 16.343 ( 1.659 0.000 2.517) 3.015 16.389 ( -6.745 0.000 2.366) 7.148 16.614 ( 7.409 -0.000 -1.765) 7.616 16.708 ( -3.691 0.000 4.920) 6.151 16.877 ( -6.096 -0.000 -8.645) 10.578 17.306 ( -4.129 0.000 4.701) 6.257 17.526 ( -10.415 0.000 -4.141) 11.208 17.772 ( -16.774 0.000 -1.700) 16.860 17.951 ( -4.346 -0.000 -3.509) 5.586 18.271 ( -2.499 -0.000 -5.500) 6.041 18.273 ( -3.032 -0.000 -5.706) 6.462 18.350 ( -3.635 0.000 4.759) 5.989 18.410 ( -1.762 0.000 4.261) 4.611 19.055 ( 16.968 -0.000 -2.639) 17.172 19.230 ( 32.658 0.000 19.266) 37.918 20.611 ( -0.788 0.000 9.037) 9.071 21.969 ( 2.347 0.000 2.631) 3.526 22.218 ( 7.395 -0.000 -2.908) 7.946 22.227 ( -2.312 0.000 3.285) 4.017 23.205 ( -29.375 -0.000 -16.568) 33.725 24.779 ( 3.400 0.000 4.893) 5.958 25.460 ( -0.553 0.000 1.786) 1.869 25.618 ( 0.313 -0.000 -0.928) 0.979 25.757 ( -0.048 -0.000 -2.201) 2.202 25.872 ( -4.006 0.000 1.831) 4.405 ======================= Grid point 84 (62/84) ======================= q-point: ( 0.20 -0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.378 ( 11.870 6.569 -0.000) 13.566 2.385 ( 14.077 19.310 -0.000) 23.896 2.625 ( 8.661 5.375 -0.000) 10.193 2.833 ( 6.643 -13.631 0.000) 15.163 2.930 ( 4.955 -3.009 0.000) 5.797 3.205 ( 0.718 -3.061 0.000) 3.144 3.640 ( 6.393 10.049 -0.000) 11.911 3.938 ( -5.132 2.589 -0.000) 5.748 4.243 ( 8.220 -8.590 0.000) 11.889 4.431 ( 8.687 -9.697 0.000) 13.019 4.538 ( 0.075 -6.914 0.000) 6.914 4.692 ( -3.223 4.698 -0.000) 5.697 6.397 ( 7.886 -12.848 0.000) 15.075 6.868 ( 19.400 -10.704 0.000) 22.157 7.068 ( -2.512 5.415 -0.000) 5.969 7.238 ( 18.115 15.033 -0.000) 23.540 7.514 ( 2.505 -4.845 0.000) 5.455 7.681 ( 12.589 0.714 -0.000) 12.609 7.775 ( 6.323 -1.089 0.000) 6.416 7.960 ( 11.323 2.617 -0.000) 11.621 8.171 ( 22.038 0.057 -0.000) 22.038 8.353 ( 14.621 -4.161 0.000) 15.201 8.449 ( 9.502 6.816 -0.000) 11.694 8.599 ( -7.779 -9.931 0.000) 12.615 8.810 ( 23.948 4.427 -0.000) 24.354 9.051 ( 3.501 1.243 -0.000) 3.715 9.109 ( -11.975 2.252 -0.000) 12.185 9.591 ( 2.158 -0.342 0.000) 2.185 9.623 ( 6.006 10.018 -0.000) 11.681 9.819 ( -0.946 4.879 -0.000) 4.970 9.837 ( 4.779 4.078 -0.000) 6.282 10.145 ( -11.607 -4.844 0.000) 12.577 10.254 ( -1.153 -4.350 0.000) 4.500 10.442 ( 0.585 -5.493 0.000) 5.524 10.499 ( -9.990 -6.991 0.000) 12.193 10.583 ( -1.832 -0.269 0.000) 1.851 10.812 ( -7.297 -5.742 0.000) 9.285 11.008 ( -2.608 2.494 -0.000) 3.608 11.048 ( -7.232 -0.291 0.000) 7.237 11.147 ( 8.574 2.016 -0.000) 8.808 11.247 ( 2.884 9.528 -0.000) 9.955 11.315 ( 12.377 3.757 -0.000) 12.935 11.436 ( -1.211 -2.080 0.000) 2.407 11.525 ( -0.418 7.346 -0.000) 7.358 11.821 ( 3.853 1.716 -0.000) 4.218 11.894 ( 4.487 3.115 -0.000) 5.462 11.964 ( 4.032 -4.976 0.000) 6.404 12.120 ( -5.567 2.673 -0.000) 6.175 12.236 ( 4.838 -10.641 0.000) 11.689 12.530 ( 4.972 -0.340 0.000) 4.984 12.605 ( 2.978 -3.413 0.000) 4.529 12.706 ( 4.716 -6.545 0.000) 8.067 12.935 ( -7.065 -4.071 0.000) 8.154 13.153 ( 0.250 -0.198 0.000) 0.319 13.173 ( -4.160 3.883 -0.000) 5.691 13.407 ( -14.945 -1.225 0.000) 14.995 13.466 ( 2.485 3.701 -0.000) 4.458 13.612 ( -2.689 2.004 -0.000) 3.354 13.616 ( 3.362 2.511 -0.000) 4.196 13.847 ( 1.887 2.692 -0.000) 3.287 14.213 ( 4.026 2.527 -0.000) 4.753 14.303 ( -5.125 -3.177 0.000) 6.030 14.617 ( -2.437 -5.466 0.000) 5.985 14.743 ( -10.249 -7.012 0.000) 12.418 14.930 ( -0.059 -0.057 0.000) 0.082 15.177 ( -0.798 2.174 -0.000) 2.316 15.311 ( 2.959 3.631 -0.000) 4.684 15.669 ( -9.151 7.461 -0.000) 11.807 15.760 ( -9.499 5.341 -0.000) 10.898 15.996 ( -3.242 -4.746 0.000) 5.747 16.099 ( -2.855 9.641 -0.000) 10.055 16.101 ( -22.152 -2.541 0.000) 22.297 16.371 ( 6.715 -2.387 0.000) 7.127 16.492 ( -3.878 -2.854 0.000) 4.815 16.742 ( 0.464 3.249 -0.000) 3.282 16.779 ( -9.601 3.492 -0.000) 10.216 17.131 ( -10.265 -0.511 0.000) 10.278 17.402 ( -10.594 -0.379 0.000) 10.601 17.752 ( -5.099 -3.546 0.000) 6.211 17.754 ( -4.969 2.528 -0.000) 5.575 17.980 ( -1.986 5.027 -0.000) 5.405 18.021 ( -13.105 -1.074 0.000) 13.149 18.377 ( -3.788 -1.778 0.000) 4.185 18.507 ( -1.187 -0.392 0.000) 1.250 19.418 ( 21.992 -1.840 0.000) 22.069 19.622 ( 19.992 -8.781 0.000) 21.835 20.711 ( 1.930 -10.670 0.000) 10.843 21.291 ( -2.556 18.540 -0.000) 18.716 22.231 ( 4.748 -2.735 0.000) 5.479 22.412 ( 9.184 3.523 -0.000) 9.837 23.673 ( -17.903 -10.560 0.000) 20.785 24.197 ( -18.341 7.737 -0.000) 19.906 25.519 ( -0.266 3.289 -0.000) 3.300 25.669 ( 2.889 -4.386 0.000) 5.252 25.682 ( 0.457 2.785 -0.000) 2.823 25.786 ( -0.097 -2.657 0.000) 2.659 ======================= Grid point 86 (63/84) ======================= q-point: ( 0.20 0.80 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.618 ( 6.517 -1.753 0.000) 6.749 2.867 ( 1.041 1.198 -0.000) 1.587 3.076 ( 12.007 1.772 -0.000) 12.137 3.288 ( 7.039 4.020 -0.000) 8.106 3.430 ( -2.130 5.273 -0.000) 5.687 3.482 ( 7.934 8.540 -0.000) 11.657 3.624 ( 0.687 -0.810 0.000) 1.062 3.817 ( -7.166 2.614 -0.000) 7.628 4.138 ( 0.381 -4.849 0.000) 4.864 4.321 ( -0.658 -4.030 0.000) 4.083 4.451 ( -1.916 -5.826 0.000) 6.133 4.699 ( 2.309 -5.991 0.000) 6.421 6.603 ( 11.199 -6.742 0.000) 13.072 6.763 ( -6.889 -5.291 0.000) 8.686 7.229 ( -1.383 -7.877 0.000) 7.997 7.829 ( 11.435 -6.717 0.000) 13.262 7.849 ( -0.734 -2.429 0.000) 2.537 8.094 ( 23.832 -0.802 0.000) 23.845 8.270 ( 2.950 4.445 -0.000) 5.334 8.486 ( -5.806 10.229 -0.000) 11.762 8.556 ( 18.503 2.682 -0.000) 18.696 8.803 ( 6.392 4.608 -0.000) 7.880 8.891 ( -3.385 1.986 -0.000) 3.925 9.051 ( 3.299 10.007 -0.000) 10.537 9.287 ( 4.879 4.809 -0.000) 6.851 9.308 ( -4.645 -5.930 0.000) 7.532 9.466 ( 14.634 1.758 -0.000) 14.740 9.546 ( 6.937 2.853 -0.000) 7.501 9.720 ( 5.320 -12.705 0.000) 13.773 9.797 ( -5.287 1.478 -0.000) 5.490 9.896 ( 13.743 -3.512 0.000) 14.185 9.968 ( -9.087 -1.925 0.000) 9.289 10.000 ( 17.827 -0.098 -0.000) 17.827 10.229 ( -7.724 -4.552 0.000) 8.965 10.248 ( 2.460 3.637 -0.000) 4.391 10.709 ( 2.667 1.726 -0.000) 3.177 10.797 ( 3.737 -2.825 0.000) 4.685 10.829 ( -12.791 5.505 -0.000) 13.925 11.048 ( -17.681 -0.890 0.000) 17.704 11.198 ( -10.228 -0.773 0.000) 10.257 11.253 ( 14.118 12.618 -0.000) 18.935 11.469 ( -13.052 1.763 -0.000) 13.170 11.595 ( 5.412 -4.723 0.000) 7.184 11.747 ( 1.922 2.052 -0.000) 2.812 11.771 ( 9.549 -3.601 0.000) 10.205 11.990 ( 0.486 -0.678 0.000) 0.835 12.238 ( -2.407 7.386 -0.000) 7.768 12.310 ( 16.059 -0.446 0.000) 16.065 12.423 ( -17.733 -1.723 0.000) 17.817 12.494 ( 12.574 6.339 -0.000) 14.082 12.504 ( -5.258 -0.719 0.000) 5.307 12.687 ( -1.475 -4.218 0.000) 4.468 12.832 ( 11.012 -5.985 0.000) 12.533 13.048 ( 19.605 -3.500 0.000) 19.915 13.286 ( -2.545 8.611 -0.000) 8.979 13.343 ( 9.379 4.525 -0.000) 10.413 13.529 ( -1.445 -0.108 0.000) 1.449 13.608 ( 2.593 5.116 -0.000) 5.736 13.824 ( -12.330 -3.865 0.000) 12.922 13.906 ( 5.535 0.675 -0.000) 5.576 13.990 ( -8.112 1.808 -0.000) 8.311 14.178 ( -5.636 -10.957 0.000) 12.321 14.267 ( -8.851 -9.710 0.000) 13.139 14.349 ( 4.789 -2.070 0.000) 5.217 14.720 ( -22.980 1.638 -0.000) 23.039 14.858 ( -10.119 0.813 -0.000) 10.151 14.959 ( -11.536 1.142 -0.000) 11.592 15.004 ( -21.004 1.831 -0.000) 21.083 15.624 ( 3.232 1.848 -0.000) 3.724 15.652 ( -8.316 -2.368 0.000) 8.647 15.670 ( 3.890 0.749 -0.000) 3.961 16.182 ( -6.626 7.503 -0.000) 10.010 16.417 ( -0.579 -2.017 0.000) 2.099 16.632 ( 7.313 1.701 -0.000) 7.509 16.695 ( 11.702 -0.561 0.000) 11.715 16.804 ( -6.139 0.094 -0.000) 6.140 16.981 ( 0.965 -0.512 0.000) 1.092 17.014 ( -7.011 0.988 -0.000) 7.081 17.388 ( -5.884 -5.765 0.000) 8.238 17.562 ( -4.908 1.176 -0.000) 5.047 17.647 ( -2.649 -1.093 0.000) 2.866 17.960 ( -3.412 2.519 -0.000) 4.241 18.189 ( -1.968 -1.948 0.000) 2.769 18.406 ( -2.174 0.683 -0.000) 2.279 20.037 ( 12.422 -4.660 0.000) 13.267 20.194 ( 15.897 -2.707 0.000) 16.125 20.700 ( 3.831 -1.049 0.000) 3.972 21.480 ( -13.897 22.044 -0.000) 26.059 22.272 ( 2.402 -7.781 0.000) 8.143 22.524 ( -11.551 -24.865 0.000) 27.417 23.185 ( 19.507 9.118 -0.000) 21.533 23.843 ( -18.268 15.937 -0.000) 24.243 25.513 ( -0.794 -8.159 0.000) 8.197 25.612 ( 0.528 1.433 -0.000) 1.527 25.665 ( -2.459 -0.815 0.000) 2.591 25.740 ( 2.602 0.843 -0.000) 2.735 ======================= Grid point 88 (64/84) ======================= q-point: (-0.30 -0.20 0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.969 ( -5.854 3.890 -9.734) 12.006 2.969 ( 5.854 3.890 9.734) 12.006 3.052 ( 5.339 -3.554 -9.195) 11.211 3.052 ( -5.339 -3.554 9.195) 11.211 3.399 ( 2.500 2.763 -6.530) 7.519 3.399 ( -2.500 2.763 6.530) 7.519 3.523 ( -1.663 -9.136 -5.320) 10.702 3.523 ( 1.663 -9.136 5.320) 10.702 4.507 ( 7.306 6.815 -9.652) 13.892 4.507 ( -7.306 6.815 9.652) 13.892 4.594 ( -6.326 -0.895 -9.055) 11.082 4.594 ( 6.326 -0.895 9.055) 11.082 7.128 ( -0.054 8.022 -8.310) 11.550 7.128 ( 0.054 8.022 8.310) 11.550 7.214 ( 1.307 0.448 -11.439) 11.522 7.214 ( -1.307 0.448 11.439) 11.522 8.212 ( 1.266 6.478 -0.929) 6.666 8.212 ( -1.266 6.478 0.929) 6.666 8.415 ( -1.956 -10.927 -1.429) 11.192 8.415 ( 1.956 -10.927 1.429) 11.192 8.692 ( 3.012 3.466 -6.695) 8.119 8.692 ( -3.012 3.466 6.695) 8.119 8.807 ( 8.866 -6.730 -4.462) 11.992 8.807 ( -8.866 -6.730 4.462) 11.992 9.409 ( -6.393 8.823 -4.071) 11.631 9.409 ( 6.393 8.823 4.071) 11.631 9.566 ( 0.472 -4.330 -5.947) 7.371 9.566 ( -0.472 -4.330 5.947) 7.371 9.738 ( -10.492 1.288 -2.425) 10.845 9.738 ( 10.492 1.288 2.425) 10.845 9.894 ( -9.280 -11.357 -1.469) 14.740 9.894 ( 9.280 -11.357 1.469) 14.740 10.355 ( -7.706 5.620 -0.732) 9.566 10.355 ( 7.706 5.620 0.732) 9.566 10.465 ( -8.824 -4.512 1.088) 9.970 10.465 ( 8.824 -4.512 -1.088) 9.970 10.824 ( -8.701 9.765 -3.533) 13.548 10.824 ( 8.701 9.765 3.533) 13.548 10.965 ( 0.366 -2.575 -3.923) 4.707 10.965 ( -0.366 -2.575 3.923) 4.707 11.416 ( 0.881 -0.368 -2.383) 2.567 11.416 ( -0.881 -0.368 2.383) 2.567 11.474 ( -2.149 -4.965 -4.695) 7.163 11.474 ( 2.149 -4.965 4.695) 7.163 12.052 ( -7.639 7.694 -6.404) 12.592 12.052 ( 7.639 7.694 6.404) 12.592 12.213 ( 6.353 -6.164 -7.218) 11.421 12.213 ( -6.353 -6.164 7.218) 11.421 12.412 ( -9.386 4.302 -1.227) 10.397 12.412 ( 9.386 4.302 1.227) 10.397 12.546 ( -8.669 -7.757 -0.983) 11.674 12.546 ( 8.669 -7.757 0.983) 11.674 13.283 ( -0.552 2.029 -4.496) 4.964 13.283 ( 0.552 2.029 4.496) 4.964 13.321 ( -4.382 -1.719 -5.309) 7.095 13.321 ( 4.382 -1.719 5.309) 7.095 13.614 ( -14.971 2.774 -0.426) 15.232 13.614 ( 14.971 2.774 0.426) 15.232 13.663 ( -10.811 -2.232 0.166) 11.041 13.663 ( 10.811 -2.232 -0.166) 11.041 14.194 ( -8.984 2.772 -3.320) 9.971 14.194 ( 8.984 2.772 3.320) 9.971 14.235 ( -6.606 -1.265 -4.128) 7.892 14.235 ( 6.606 -1.265 4.128) 7.892 14.620 ( -6.537 8.111 -0.260) 10.420 14.620 ( 6.537 8.111 0.260) 10.420 14.763 ( -4.698 -4.886 0.202) 6.781 14.763 ( 4.698 -4.886 -0.202) 6.781 15.666 ( 4.402 5.058 -2.061) 7.015 15.666 ( -4.402 5.058 2.061) 7.015 15.788 ( -7.422 -6.125 -2.674) 9.988 15.788 ( 7.422 -6.125 2.674) 9.988 16.683 ( -3.462 3.230 -6.072) 7.700 16.683 ( 3.462 3.230 6.072) 7.700 16.765 ( 2.839 -4.431 -5.694) 7.754 16.765 ( -2.839 -4.431 5.694) 7.754 17.051 ( -4.699 3.912 -5.871) 8.477 17.051 ( 4.699 3.912 5.871) 8.477 17.122 ( -1.838 -2.733 -7.433) 8.130 17.122 ( 1.838 -2.733 7.433) 8.130 18.069 ( 0.699 4.294 -9.082) 10.070 18.069 ( -0.699 4.294 9.082) 10.070 18.153 ( -0.924 -3.628 -8.618) 9.396 18.153 ( 0.924 -3.628 8.618) 9.396 20.506 ( -4.980 7.548 -3.134) 9.570 20.506 ( 4.980 7.548 3.134) 9.570 20.694 ( -9.769 -10.255 -3.846) 14.676 20.694 ( 9.769 -10.255 3.846) 14.676 22.751 ( -10.709 20.141 -2.795) 22.982 22.751 ( 10.709 20.141 2.795) 22.982 23.169 ( -15.534 -19.281 3.358) 24.987 23.169 ( 15.534 -19.281 -3.358) 24.987 25.625 ( -0.918 4.315 -0.559) 4.447 25.625 ( 0.918 4.315 0.559) 4.447 25.701 ( 1.415 -2.891 -2.161) 3.877 25.701 ( -1.415 -2.891 2.161) 3.877 ======================= Grid point 90 (65/84) ======================= q-point: ( 0.20 -0.20 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.485 ( -21.212 0.000 0.000) 21.212 2.762 ( -25.759 0.000 0.000) 25.759 2.861 ( -1.161 0.000 0.000) 1.161 3.062 ( 2.918 -0.000 -0.000) 2.918 3.199 ( -13.961 0.000 0.000) 13.961 3.758 ( 1.883 -0.000 -0.000) 1.883 3.951 ( 9.269 -0.000 -0.000) 9.269 3.995 ( 0.122 -0.000 -0.000) 0.122 4.201 ( 6.873 -0.000 -0.000) 6.873 4.428 ( 3.229 -0.000 -0.000) 3.229 4.444 ( 8.590 -0.000 -0.000) 8.590 4.543 ( -4.055 0.000 0.000) 4.055 6.619 ( 3.181 -0.000 -0.000) 3.181 6.680 ( -4.002 0.000 0.000) 4.002 6.948 ( -7.266 0.000 0.000) 7.266 7.913 ( -24.771 0.000 0.000) 24.771 7.980 ( -14.214 0.000 0.000) 14.214 8.171 ( 11.357 -0.000 -0.000) 11.357 8.182 ( 6.520 -0.000 -0.000) 6.520 8.218 ( 6.994 -0.000 -0.000) 6.994 8.236 ( -24.667 0.000 0.000) 24.667 8.789 ( -31.176 0.000 0.000) 31.176 8.948 ( -14.432 0.000 0.000) 14.432 9.123 ( 19.086 -0.000 -0.000) 19.086 9.294 ( -12.339 0.000 0.000) 12.339 9.355 ( 10.888 -0.000 -0.000) 10.888 9.637 ( 28.209 -0.000 -0.000) 28.209 9.639 ( -34.543 0.000 0.000) 34.543 9.728 ( -9.226 0.000 0.000) 9.226 9.821 ( 6.422 -0.000 -0.000) 6.422 10.093 ( 3.867 -0.000 -0.000) 3.867 10.179 ( -4.216 0.000 0.000) 4.216 10.241 ( -21.392 0.000 0.000) 21.392 10.292 ( 11.491 -0.000 -0.000) 11.491 10.357 ( -6.181 0.000 0.000) 6.181 10.482 ( -2.570 0.000 0.000) 2.570 10.732 ( 15.979 -0.000 -0.000) 15.979 10.956 ( -16.573 0.000 0.000) 16.573 11.004 ( 20.540 -0.000 -0.000) 20.540 11.122 ( 21.353 -0.000 -0.000) 21.353 11.128 ( -0.878 0.000 0.000) 0.878 11.468 ( -0.150 0.000 0.000) 0.150 11.483 ( 0.932 -0.000 -0.000) 0.932 11.644 ( -14.871 0.000 0.000) 14.871 11.815 ( 2.211 -0.000 -0.000) 2.211 11.998 ( 5.618 -0.000 -0.000) 5.618 12.176 ( -20.948 0.000 0.000) 20.948 12.207 ( -2.538 0.000 0.000) 2.538 12.249 ( 7.470 -0.000 -0.000) 7.470 12.614 ( 1.821 -0.000 -0.000) 1.821 12.742 ( -27.633 0.000 0.000) 27.633 12.858 ( 0.954 -0.000 -0.000) 0.954 13.001 ( 6.998 -0.000 -0.000) 6.998 13.116 ( -9.942 0.000 0.000) 9.942 13.259 ( 11.912 -0.000 -0.000) 11.912 13.406 ( -4.820 0.000 0.000) 4.820 13.435 ( -4.188 0.000 0.000) 4.188 13.655 ( -1.833 0.000 0.000) 1.833 13.770 ( 10.691 -0.000 -0.000) 10.691 13.871 ( -2.203 0.000 0.000) 2.203 13.890 ( -14.855 0.000 0.000) 14.855 14.035 ( 21.425 -0.000 -0.000) 21.425 14.244 ( 8.854 -0.000 -0.000) 8.854 14.478 ( -8.706 0.000 0.000) 8.706 14.541 ( -5.642 0.000 0.000) 5.642 14.768 ( 26.121 -0.000 -0.000) 26.121 14.831 ( 2.124 -0.000 -0.000) 2.124 14.869 ( 30.013 -0.000 -0.000) 30.013 15.417 ( -2.509 0.000 0.000) 2.509 15.583 ( -1.384 0.000 0.000) 1.384 15.868 ( -8.654 0.000 0.000) 8.654 16.031 ( 5.460 -0.000 -0.000) 5.460 16.459 ( 1.206 -0.000 -0.000) 1.206 16.555 ( -5.093 0.000 0.000) 5.093 16.755 ( -5.004 0.000 0.000) 5.004 16.791 ( -2.814 0.000 0.000) 2.814 16.865 ( -1.089 0.000 0.000) 1.089 17.202 ( 10.562 -0.000 -0.000) 10.562 17.452 ( 11.537 -0.000 -0.000) 11.537 17.540 ( 1.172 -0.000 -0.000) 1.172 17.684 ( 4.738 -0.000 -0.000) 4.738 17.880 ( -0.671 0.000 0.000) 0.671 18.210 ( 4.000 -0.000 -0.000) 4.000 18.389 ( 0.751 -0.000 -0.000) 0.751 20.399 ( 8.714 -0.000 -0.000) 8.714 20.645 ( -30.254 0.000 0.000) 30.254 20.801 ( 13.158 -0.000 -0.000) 13.158 20.924 ( 4.784 -0.000 -0.000) 4.784 22.164 ( -1.234 0.000 0.000) 1.234 22.226 ( 2.796 -0.000 -0.000) 2.796 23.145 ( -21.655 0.000 0.000) 21.655 24.161 ( 21.283 -0.000 -0.000) 21.283 25.458 ( 0.716 -0.000 -0.000) 0.716 25.556 ( -1.876 0.000 0.000) 1.876 25.604 ( -0.504 0.000 0.000) 0.504 25.925 ( 4.305 -0.000 -0.000) 4.305 ======================= Grid point 95 (66/84) ======================= q-point: (-0.53 -0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( 4.552 -8.969 -23.076) 25.173 2.088 ( 8.141 -14.454 -24.136) 29.287 2.518 ( 5.110 13.051 2.528) 14.242 2.785 ( 9.704 14.924 9.675) 20.261 2.932 ( 6.814 -5.640 -8.736) 12.432 3.168 ( 1.363 -6.590 14.831) 16.286 3.523 ( 12.369 -9.425 0.910) 15.577 3.900 ( 1.233 6.468 -1.195) 6.692 4.111 ( -2.659 6.539 2.453) 7.473 4.238 ( 5.473 -3.574 19.492) 20.559 4.528 ( -5.331 -3.055 -3.598) 7.120 4.846 ( -2.072 5.522 -4.578) 7.466 6.059 ( 4.317 -12.577 9.208) 16.174 6.284 ( 15.988 -8.547 6.844) 19.378 7.052 ( 12.436 3.285 0.972) 12.899 7.184 ( 2.669 -4.575 -3.653) 6.434 7.286 ( 3.402 0.366 -7.494) 8.238 7.516 ( 6.216 2.045 -1.825) 6.793 7.614 ( 8.915 -2.572 -0.098) 9.279 7.724 ( 3.454 -4.606 -0.498) 5.779 7.938 ( 4.265 2.480 -2.948) 5.747 8.034 ( 6.736 10.053 1.030) 12.145 8.417 ( 10.061 -1.750 -1.606) 10.337 8.488 ( -1.438 -4.893 2.323) 5.604 8.648 ( 6.024 8.772 -2.731) 10.986 9.006 ( -4.153 -4.591 -9.911) 11.686 9.295 ( 1.952 9.526 -0.407) 9.732 9.605 ( -0.334 7.698 0.450) 7.718 9.752 ( 8.632 5.892 6.194) 12.148 9.980 ( -4.568 0.809 5.865) 7.478 10.116 ( 2.394 -7.968 0.243) 8.323 10.177 ( -5.737 4.413 0.194) 7.241 10.191 ( -4.921 -6.065 5.116) 9.336 10.295 ( -4.187 -1.640 -1.599) 4.772 10.429 ( -5.050 -5.577 1.450) 7.662 10.610 ( -0.937 -2.356 4.350) 5.035 10.988 ( -7.081 3.793 1.468) 8.166 10.990 ( 1.983 1.520 -8.076) 8.453 11.089 ( 6.260 2.742 -1.811) 7.070 11.158 ( 1.580 1.583 0.043) 2.237 11.276 ( 4.675 -1.499 -1.667) 5.185 11.334 ( -2.604 8.506 -2.614) 9.272 11.438 ( 2.041 9.477 2.623) 10.043 11.586 ( -3.205 -6.121 -0.851) 6.962 11.763 ( 0.746 4.323 -7.034) 8.290 11.774 ( 3.344 -4.740 -0.105) 5.802 11.929 ( 0.455 -8.471 6.018) 10.401 12.007 ( 5.825 -0.831 -0.062) 5.884 12.169 ( 7.163 1.366 6.520) 9.782 12.362 ( -2.516 -2.919 0.813) 3.939 12.400 ( 2.511 -5.363 -1.702) 6.161 12.665 ( 3.336 0.543 8.200) 8.869 12.880 ( 1.223 -3.734 1.179) 4.102 13.158 ( -2.059 0.011 0.288) 2.079 13.348 ( 4.377 1.469 -1.486) 4.850 13.494 ( -0.814 0.240 -8.718) 8.759 13.546 ( -6.372 5.528 3.211) 9.026 13.666 ( -9.111 1.160 -2.787) 9.598 13.787 ( 3.750 7.163 0.606) 8.108 13.938 ( -6.965 -1.144 5.891) 9.194 14.132 ( -1.025 -1.541 -5.484) 5.788 14.446 ( -1.785 2.247 5.733) 6.411 14.490 ( -3.494 -6.805 -2.836) 8.159 14.702 ( 3.526 -4.453 -2.562) 6.231 14.782 ( -2.428 -10.209 1.439) 10.592 15.096 ( 6.195 -1.655 -0.892) 6.474 15.417 ( -0.066 4.571 1.580) 4.837 15.797 ( 1.835 -8.540 -4.767) 9.951 15.897 ( -2.560 10.513 -6.472) 12.608 16.112 ( -9.562 2.226 3.917) 10.570 16.273 ( -5.978 0.560 -3.049) 6.734 16.348 ( -2.512 -0.374 2.554) 3.602 16.410 ( -8.378 -0.208 -0.659) 8.407 16.568 ( -3.315 -0.029 5.512) 6.432 16.644 ( 5.938 0.611 -1.452) 6.143 17.025 ( -7.768 1.246 -8.523) 11.599 17.286 ( -5.982 -2.226 0.916) 6.448 17.598 ( -8.815 1.581 -3.886) 9.762 17.807 ( -15.353 -1.948 -0.964) 15.506 18.006 ( -5.383 3.270 -4.563) 7.778 18.157 ( -5.845 3.300 6.696) 9.481 18.282 ( -6.200 -0.438 1.258) 6.341 18.400 ( -2.580 -0.522 -1.564) 3.061 18.440 ( -0.094 -2.537 -2.483) 3.551 18.994 ( 24.208 0.100 6.802) 25.146 19.111 ( 17.585 -0.536 -2.911) 17.832 20.532 ( 1.286 -7.164 7.085) 10.158 21.688 ( 0.298 18.855 -1.463) 18.914 22.177 ( 0.636 -0.138 2.436) 2.521 22.253 ( 7.140 0.378 -1.678) 7.345 23.640 ( -17.631 -20.331 -1.581) 26.957 24.668 ( -5.230 7.325 -0.907) 9.046 25.489 ( 1.545 -4.355 0.506) 4.648 25.609 ( 0.039 1.702 0.362) 1.741 25.753 ( 1.153 3.142 0.535) 3.389 25.795 ( -2.982 3.162 -0.713) 4.404 ======================= Grid point 97 (67/84) ======================= q-point: (-0.53 -0.23 0.53) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.280 ( 12.860 -0.000 -12.374) 17.847 2.598 ( 19.232 -0.000 -16.543) 25.368 3.024 ( 11.445 -0.000 -8.255) 14.111 3.042 ( 1.017 0.000 13.621) 13.659 3.367 ( 9.719 -0.000 3.778) 10.428 3.536 ( 9.776 0.000 13.083) 16.332 3.818 ( -5.516 0.000 -0.337) 5.526 3.850 ( -0.227 -0.000 -3.482) 3.489 4.125 ( 5.377 -0.000 0.883) 5.449 4.171 ( -7.616 0.000 0.574) 7.637 4.538 ( 7.186 0.000 4.542) 8.501 4.613 ( -9.448 0.000 0.395) 9.456 6.323 ( 13.115 0.000 7.568) 15.142 6.895 ( -6.255 0.000 -1.350) 6.399 7.241 ( 27.102 -0.000 -1.480) 27.143 7.302 ( -7.759 0.000 7.353) 10.690 7.481 ( 3.707 -0.000 -18.866) 19.227 7.933 ( 6.929 0.000 3.423) 7.729 8.141 ( 9.646 -0.000 -5.058) 10.892 8.250 ( 17.223 -0.000 -2.104) 17.351 8.424 ( 34.642 -0.000 6.573) 35.260 8.522 ( 5.915 -0.000 -14.183) 15.366 8.823 ( 30.074 -0.000 -0.189) 30.074 8.956 ( -0.784 0.000 5.794) 5.847 9.036 ( 3.801 -0.000 -3.643) 5.265 9.310 ( -6.388 0.000 -0.750) 6.432 9.381 ( 25.068 -0.000 0.987) 25.088 9.590 ( -9.189 0.000 5.516) 10.717 9.642 ( 9.083 0.000 10.980) 14.250 9.784 ( -19.270 0.000 -4.435) 19.774 9.871 ( -12.102 0.000 5.027) 13.105 9.906 ( 0.125 0.000 5.163) 5.164 10.132 ( 3.096 0.000 1.375) 3.387 10.242 ( -8.135 -0.000 -5.732) 9.951 10.426 ( -2.192 0.000 1.623) 2.727 10.543 ( -3.547 0.000 5.190) 6.287 10.848 ( 30.002 -0.000 -0.006) 30.002 10.960 ( -8.692 0.000 -2.021) 8.924 11.128 ( -3.632 0.000 0.429) 3.657 11.186 ( 0.649 -0.000 -3.188) 3.253 11.304 ( -7.426 0.000 -0.554) 7.447 11.548 ( -1.956 0.000 3.650) 4.141 11.597 ( 2.686 -0.000 -4.594) 5.321 11.722 ( 2.645 -0.000 -1.153) 2.885 11.862 ( 16.502 -0.000 -1.363) 16.558 11.874 ( -15.063 0.000 3.577) 15.482 12.105 ( -1.380 0.000 5.133) 5.315 12.136 ( 11.724 -0.000 -4.626) 12.603 12.230 ( 16.240 -0.000 -1.951) 16.356 12.437 ( -0.625 -0.000 -10.947) 10.965 12.572 ( 4.890 -0.000 -2.474) 5.480 12.643 ( -9.755 0.000 0.948) 9.801 12.930 ( 4.459 0.000 12.571) 13.339 12.953 ( -15.336 0.000 7.595) 17.114 13.248 ( 6.318 -0.000 0.584) 6.345 13.362 ( 3.598 -0.000 1.171) 3.784 13.491 ( 0.309 -0.000 -7.026) 7.032 13.662 ( -5.588 0.000 0.167) 5.590 13.768 ( 8.169 -0.000 0.063) 8.169 13.981 ( -3.558 -0.000 -5.941) 6.925 14.057 ( 3.521 -0.000 0.994) 3.659 14.105 ( -10.340 0.000 0.842) 10.375 14.348 ( -6.105 -0.000 -4.665) 7.683 14.403 ( -5.300 0.000 9.934) 11.259 14.857 ( -0.295 -0.000 -5.615) 5.623 15.123 ( -6.771 -0.000 -2.823) 7.336 15.369 ( -29.339 0.000 -0.600) 29.345 15.496 ( -25.950 0.000 -4.060) 26.266 15.529 ( 5.428 -0.000 1.403) 5.606 15.691 ( -5.481 -0.000 -5.660) 7.879 15.815 ( -6.413 -0.000 -3.882) 7.496 16.294 ( 3.382 -0.000 -5.027) 6.059 16.379 ( 2.601 0.000 4.793) 5.453 16.531 ( 1.965 0.000 3.466) 3.984 16.618 ( -3.174 0.000 2.010) 3.757 16.888 ( 4.145 -0.000 -3.639) 5.516 16.996 ( -6.672 0.000 4.703) 8.163 17.241 ( -7.434 -0.000 -13.261) 15.203 17.247 ( -9.784 0.000 2.758) 10.165 17.735 ( -10.224 -0.000 -7.749) 12.829 17.842 ( -5.734 0.000 14.486) 15.580 18.162 ( -3.068 0.000 7.776) 8.359 18.205 ( -5.002 -0.000 -3.719) 6.233 18.393 ( -1.029 -0.000 -4.878) 4.986 19.810 ( 14.249 0.000 10.807) 17.884 19.848 ( 18.419 -0.000 3.023) 18.665 20.567 ( 4.059 -0.000 0.280) 4.069 22.046 ( 3.294 0.000 1.599) 3.662 22.098 ( -7.750 -0.000 -8.817) 11.738 22.440 ( -18.908 0.000 -1.801) 18.994 22.847 ( 19.022 -0.000 -2.259) 19.155 24.409 ( -15.966 0.000 1.051) 16.000 25.413 ( 0.184 0.000 1.379) 1.392 25.632 ( -3.285 -0.000 -2.666) 4.231 25.677 ( 2.124 -0.000 -0.816) 2.275 25.765 ( -1.524 0.000 5.215) 5.433 ======================= Grid point 104 (68/84) ======================= q-point: (-0.25 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( -0.000 -0.000 -33.482) 33.482 1.267 ( -0.000 -0.000 -33.310) 33.310 1.986 ( -0.000 -0.000 -49.811) 49.811 2.741 ( 0.000 0.000 8.852) 8.852 3.049 ( 0.000 0.000 11.977) 11.977 3.474 ( 0.000 0.000 22.152) 22.152 3.519 ( 0.000 0.000 8.230) 8.230 3.950 ( 0.000 0.000 5.148) 5.148 4.305 ( 0.000 0.000 2.430) 2.430 4.429 ( -0.000 -0.000 -7.904) 7.904 4.558 ( 0.000 0.000 19.607) 19.607 4.784 ( -0.000 -0.000 -11.145) 11.145 6.093 ( 0.000 0.000 8.097) 8.097 6.314 ( 0.000 0.000 25.589) 25.589 6.810 ( -0.000 -0.000 -17.124) 17.124 7.013 ( 0.000 0.000 6.000) 6.000 7.195 ( -0.000 -0.000 -2.060) 2.060 7.312 ( -0.000 -0.000 -3.015) 3.015 7.569 ( 0.000 0.000 0.618) 0.618 7.618 ( -0.000 -0.000 -0.018) 0.018 7.859 ( -0.000 -0.000 -6.816) 6.816 8.243 ( -0.000 -0.000 -1.394) 1.394 8.347 ( -0.000 -0.000 -6.270) 6.270 8.398 ( 0.000 0.000 19.392) 19.392 8.528 ( -0.000 -0.000 -23.727) 23.727 8.867 ( 0.000 0.000 2.857) 2.857 9.270 ( -0.000 -0.000 -5.130) 5.130 9.716 ( -0.000 -0.000 -7.163) 7.163 9.876 ( 0.000 0.000 8.579) 8.579 10.015 ( -0.000 -0.000 -2.639) 2.639 10.038 ( 0.000 0.000 10.468) 10.468 10.116 ( -0.000 -0.000 -2.219) 2.219 10.366 ( -0.000 -0.000 -5.812) 5.812 10.386 ( 0.000 0.000 12.160) 12.160 10.550 ( 0.000 0.000 0.293) 0.293 10.638 ( 0.000 0.000 8.681) 8.681 10.971 ( -0.000 -0.000 -3.532) 3.532 11.003 ( -0.000 -0.000 -2.984) 2.984 11.050 ( -0.000 -0.000 -6.821) 6.821 11.143 ( -0.000 -0.000 -3.567) 3.567 11.148 ( -0.000 -0.000 -1.622) 1.622 11.273 ( -0.000 -0.000 -12.896) 12.896 11.464 ( -0.000 -0.000 -4.742) 4.742 11.568 ( 0.000 0.000 1.544) 1.544 11.713 ( -0.000 -0.000 -6.454) 6.454 11.800 ( 0.000 0.000 5.801) 5.801 11.840 ( 0.000 0.000 1.611) 1.611 11.929 ( 0.000 0.000 12.793) 12.793 12.288 ( -0.000 -0.000 -1.438) 1.438 12.362 ( 0.000 0.000 13.991) 13.991 12.462 ( 0.000 0.000 7.761) 7.761 12.790 ( 0.000 0.000 6.896) 6.896 12.880 ( 0.000 0.000 5.886) 5.886 13.220 ( 0.000 0.000 1.244) 1.244 13.293 ( 0.000 0.000 2.963) 2.963 13.344 ( -0.000 -0.000 -8.107) 8.107 13.632 ( -0.000 -0.000 -12.092) 12.092 13.731 ( 0.000 0.000 2.015) 2.015 13.814 ( -0.000 -0.000 -10.932) 10.932 14.032 ( 0.000 0.000 3.512) 3.512 14.213 ( 0.000 0.000 11.897) 11.897 14.413 ( -0.000 -0.000 -16.492) 16.492 14.419 ( 0.000 0.000 0.040) 0.040 14.573 ( 0.000 0.000 0.541) 0.541 14.776 ( 0.000 0.000 9.026) 9.026 14.975 ( 0.000 0.000 0.984) 0.984 15.509 ( 0.000 0.000 3.166) 3.166 15.569 ( -0.000 -0.000 -6.268) 6.268 15.985 ( -0.000 -0.000 -3.637) 3.637 16.320 ( 0.000 0.000 3.424) 3.424 16.355 ( 0.000 0.000 1.953) 1.953 16.364 ( -0.000 -0.000 -12.240) 12.240 16.395 ( -0.000 -0.000 -10.149) 10.149 16.447 ( 0.000 0.000 5.280) 5.280 16.753 ( 0.000 0.000 5.436) 5.436 16.942 ( -0.000 -0.000 -9.241) 9.241 17.350 ( 0.000 0.000 4.448) 4.448 17.649 ( -0.000 -0.000 -3.832) 3.832 17.995 ( -0.000 -0.000 -3.043) 3.043 18.105 ( 0.000 0.000 0.406) 0.406 18.290 ( -0.000 -0.000 -8.348) 8.348 18.339 ( 0.000 0.000 6.364) 6.364 18.413 ( -0.000 -0.000 -4.763) 4.763 18.415 ( 0.000 0.000 4.405) 4.405 18.672 ( 0.000 0.000 2.117) 2.117 18.848 ( -0.000 -0.000 -2.208) 2.208 20.620 ( 0.000 0.000 10.323) 10.323 21.941 ( 0.000 0.000 2.063) 2.063 22.144 ( -0.000 -0.000 -2.257) 2.257 22.249 ( 0.000 0.000 4.698) 4.698 23.613 ( 0.000 0.000 0.306) 0.306 24.679 ( -0.000 -0.000 -3.443) 3.443 25.467 ( 0.000 0.000 1.598) 1.598 25.615 ( -0.000 -0.000 -0.849) 0.849 25.731 ( -0.000 -0.000 -2.304) 2.304 25.946 ( 0.000 0.000 2.251) 2.251 ======================= Grid point 105 (69/84) ======================= q-point: ( 0.25 -0.25 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( 11.196 23.372 -0.000) 25.915 2.130 ( 10.166 20.795 -0.000) 23.147 2.503 ( 3.891 -5.941 0.000) 7.102 2.742 ( 2.709 -18.559 0.000) 18.756 2.839 ( 3.573 -5.122 0.000) 6.245 3.228 ( -2.190 9.509 -0.000) 9.758 3.564 ( -0.553 1.973 -0.000) 2.048 4.010 ( -1.746 1.764 -0.000) 2.482 4.079 ( 19.114 -16.316 0.000) 25.131 4.100 ( 4.752 -5.646 0.000) 7.380 4.637 ( -4.352 -4.489 0.000) 6.252 4.728 ( -0.541 8.596 -0.000) 8.613 6.262 ( 4.895 -12.487 0.000) 13.412 6.520 ( 12.681 -16.801 0.000) 21.049 6.929 ( 10.993 3.335 -0.000) 11.488 7.112 ( -0.637 7.469 -0.000) 7.496 7.415 ( 7.126 12.758 -0.000) 14.613 7.546 ( -0.396 -9.180 0.000) 9.188 7.675 ( 3.235 -3.035 0.000) 4.436 7.683 ( 14.444 2.689 -0.000) 14.693 7.880 ( 5.944 3.239 -0.000) 6.769 8.072 ( 11.270 -7.627 0.000) 13.608 8.298 ( 4.764 16.106 -0.000) 16.796 8.405 ( 14.274 5.098 -0.000) 15.157 8.782 ( -8.965 -17.538 0.000) 19.697 9.075 ( -3.887 3.696 -0.000) 5.364 9.273 ( -1.596 -0.853 0.000) 1.810 9.446 ( 8.175 9.048 -0.000) 12.194 9.556 ( -0.740 2.481 -0.000) 2.589 9.837 ( -1.770 3.141 -0.000) 3.605 9.843 ( -1.493 13.426 -0.000) 13.509 10.273 ( -0.929 -6.947 0.000) 7.009 10.382 ( -10.333 -2.403 0.000) 10.609 10.393 ( 3.439 -7.012 0.000) 7.810 10.653 ( -4.949 -12.876 0.000) 13.794 10.663 ( -4.992 -5.294 0.000) 7.277 10.937 ( -4.935 -0.279 0.000) 4.943 11.009 ( 4.812 3.644 -0.000) 6.036 11.036 ( 2.125 4.780 -0.000) 5.231 11.119 ( 4.893 6.254 -0.000) 7.940 11.133 ( 3.911 7.562 -0.000) 8.514 11.152 ( 0.208 2.317 -0.000) 2.327 11.398 ( 4.526 -0.998 0.000) 4.635 11.595 ( -5.213 7.530 -0.000) 9.158 11.758 ( 1.127 3.483 -0.000) 3.661 11.830 ( 1.742 4.402 -0.000) 4.734 11.884 ( 3.581 -3.581 0.000) 5.065 12.168 ( 1.203 -6.654 0.000) 6.762 12.178 ( 0.866 -14.406 0.000) 14.432 12.452 ( 1.755 -0.949 0.000) 1.995 12.570 ( 0.702 -6.439 0.000) 6.477 12.625 ( 3.234 -5.787 0.000) 6.629 12.979 ( 0.595 -6.448 0.000) 6.475 13.168 ( -1.862 -0.289 0.000) 1.885 13.314 ( -7.585 9.130 -0.000) 11.870 13.359 ( 6.354 1.289 -0.000) 6.484 13.613 ( 0.658 5.312 -0.000) 5.353 13.615 ( -1.744 1.791 -0.000) 2.500 13.667 ( -6.402 0.106 -0.000) 6.403 13.863 ( -4.170 0.200 -0.000) 4.175 14.142 ( 2.702 7.073 -0.000) 7.571 14.374 ( -1.651 -3.232 0.000) 3.629 14.671 ( -2.693 -5.230 0.000) 5.883 14.882 ( 3.671 -5.502 0.000) 6.614 14.929 ( -7.328 -6.508 0.000) 9.801 15.145 ( 3.013 -2.575 0.000) 3.963 15.275 ( 0.838 6.422 -0.000) 6.476 15.735 ( -0.874 10.960 -0.000) 10.994 15.979 ( -8.592 4.809 -0.000) 9.846 16.037 ( -1.346 -7.834 0.000) 7.948 16.159 ( -1.959 9.976 -0.000) 10.166 16.263 ( 3.226 0.471 -0.000) 3.260 16.456 ( -12.025 -2.976 0.000) 12.387 16.592 ( -4.382 -3.656 0.000) 5.707 16.636 ( 4.365 1.333 -0.000) 4.564 17.079 ( -12.082 2.542 -0.000) 12.347 17.335 ( -8.632 -2.861 0.000) 9.094 17.592 ( -6.518 1.075 -0.000) 6.606 17.865 ( -6.093 0.440 -0.000) 6.109 17.921 ( -11.524 5.244 -0.000) 12.661 18.029 ( -3.599 3.274 -0.000) 4.865 18.280 ( -12.044 -0.753 0.000) 12.067 18.444 ( -2.707 -1.211 0.000) 2.965 18.493 ( 2.709 -0.924 0.000) 2.863 18.955 ( 22.022 -1.197 0.000) 22.055 19.180 ( 22.220 -3.550 0.000) 22.502 20.672 ( 1.626 -12.278 0.000) 12.386 21.325 ( -0.907 17.013 -0.000) 17.037 22.156 ( 2.480 0.110 -0.000) 2.482 22.268 ( 4.845 -0.566 0.000) 4.878 24.021 ( -14.603 -12.632 0.000) 19.308 24.541 ( -13.922 4.003 -0.000) 14.486 25.541 ( -1.574 3.251 -0.000) 3.612 25.588 ( 4.415 -4.674 0.000) 6.429 25.664 ( 1.186 3.889 -0.000) 4.066 25.755 ( 2.750 2.217 -0.000) 3.532 ======================= Grid point 107 (70/84) ======================= q-point: ( 0.25 0.75 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.481 ( 6.674 -2.730 0.000) 7.211 2.811 ( 13.071 -2.799 0.000) 13.368 2.826 ( 3.025 3.518 -0.000) 4.639 3.088 ( 10.769 2.880 -0.000) 11.148 3.216 ( 14.662 9.823 -0.000) 17.648 3.277 ( 11.196 4.731 -0.000) 12.155 3.807 ( -10.587 -0.033 0.000) 10.587 3.884 ( 0.796 2.645 -0.000) 2.762 4.222 ( 7.364 -8.033 0.000) 10.898 4.234 ( -8.643 -3.802 0.000) 9.442 4.564 ( 11.435 -7.392 0.000) 13.617 4.603 ( -9.188 0.182 -0.000) 9.190 6.354 ( 12.162 -9.079 0.000) 15.177 6.936 ( -9.381 -3.273 0.000) 9.936 7.175 ( 13.234 -0.330 0.000) 13.238 7.449 ( 14.225 -10.833 0.000) 17.880 7.809 ( 7.842 -4.401 0.000) 8.992 7.849 ( 2.834 -3.350 0.000) 4.388 8.074 ( 20.369 17.099 -0.000) 26.594 8.233 ( 12.893 2.276 -0.000) 13.093 8.306 ( 11.790 -4.265 0.000) 12.537 8.691 ( 17.180 5.290 -0.000) 17.976 8.821 ( 30.371 1.214 -0.000) 30.395 8.823 ( 1.927 3.017 -0.000) 3.580 8.957 ( -8.373 7.418 -0.000) 11.186 9.294 ( 11.672 7.228 -0.000) 13.729 9.379 ( 18.328 4.246 -0.000) 18.814 9.447 ( -6.639 -7.900 0.000) 10.320 9.641 ( 0.091 -4.426 0.000) 4.427 9.821 ( -6.308 0.339 -0.000) 6.317 9.869 ( -8.517 -2.025 0.000) 8.754 9.922 ( -5.398 -7.403 0.000) 9.163 10.170 ( -6.883 -3.581 0.000) 7.758 10.256 ( -0.512 6.226 -0.000) 6.247 10.455 ( -14.656 -6.521 0.000) 16.041 10.501 ( 10.203 -1.520 0.000) 10.315 10.777 ( 17.615 7.244 -0.000) 19.046 10.960 ( -2.402 0.523 -0.000) 2.458 10.994 ( -4.625 6.951 -0.000) 8.349 11.298 ( -4.265 -0.788 0.000) 4.337 11.333 ( -5.723 -1.483 0.000) 5.912 11.421 ( 7.661 4.772 -0.000) 9.025 11.644 ( 7.123 1.233 -0.000) 7.229 11.691 ( 2.176 4.285 -0.000) 4.806 11.775 ( -13.153 3.124 -0.000) 13.519 11.898 ( 9.645 -4.208 0.000) 10.524 12.085 ( 6.245 0.348 -0.000) 6.255 12.224 ( 2.546 5.843 -0.000) 6.373 12.225 ( 10.896 -5.094 0.000) 12.028 12.602 ( 1.032 -0.291 0.000) 1.072 12.626 ( 8.145 -4.989 0.000) 9.551 12.691 ( -8.402 -1.814 0.000) 8.596 12.768 ( 8.600 -1.132 0.000) 8.674 12.891 ( -21.472 -3.794 0.000) 21.805 13.211 ( 4.369 2.297 -0.000) 4.936 13.291 ( 0.880 4.932 -0.000) 5.010 13.571 ( -3.246 0.589 -0.000) 3.299 13.578 ( 1.057 4.253 -0.000) 4.382 13.770 ( 7.708 0.503 -0.000) 7.725 13.966 ( -0.221 3.567 -0.000) 3.574 14.109 ( -7.403 -2.725 0.000) 7.888 14.238 ( -0.137 -6.748 0.000) 6.750 14.392 ( -3.247 -9.590 0.000) 10.125 14.400 ( -8.859 -2.256 0.000) 9.142 14.907 ( -1.969 0.504 -0.000) 2.032 15.152 ( -6.360 0.552 -0.000) 6.384 15.347 ( -27.367 1.653 -0.000) 27.417 15.455 ( -2.354 4.369 -0.000) 4.963 15.562 ( -18.826 -0.529 0.000) 18.834 15.730 ( -6.257 1.827 -0.000) 6.519 15.838 ( -8.056 0.063 0.000) 8.056 16.232 ( 0.375 6.246 -0.000) 6.257 16.446 ( 7.092 -5.311 0.000) 8.860 16.483 ( 5.779 0.033 -0.000) 5.779 16.567 ( -9.256 2.677 -0.000) 9.635 16.911 ( 5.185 0.907 -0.000) 5.264 16.951 ( -7.846 0.488 -0.000) 7.861 17.192 ( -10.016 1.458 -0.000) 10.122 17.520 ( -6.567 -5.926 0.000) 8.845 17.661 ( -5.100 -2.522 0.000) 5.689 17.794 ( -10.455 3.692 -0.000) 11.088 18.025 ( -2.775 3.052 -0.000) 4.124 18.256 ( -4.263 -1.454 0.000) 4.504 18.451 ( -1.933 -0.922 0.000) 2.142 19.749 ( 15.890 -3.248 0.000) 16.218 19.858 ( 16.819 -3.827 0.000) 17.249 20.613 ( 4.406 -4.579 0.000) 6.355 21.661 ( -4.536 23.036 -0.000) 23.478 22.225 ( 2.199 -4.212 0.000) 4.751 22.803 ( 17.436 6.005 -0.000) 18.441 22.848 ( -19.196 -25.310 0.000) 31.766 24.195 ( -15.946 17.305 -0.000) 23.532 25.529 ( -0.480 -9.825 0.000) 9.837 25.602 ( 0.430 3.667 -0.000) 3.692 25.710 ( 0.288 -0.269 0.000) 0.395 25.713 ( -2.332 -0.684 0.000) 2.430 ======================= Grid point 110 (71/84) ======================= q-point: ( 0.25 -0.25 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.706 ( 0.971 -0.000 -0.000) 0.971 2.883 ( -0.568 0.000 0.000) 0.568 3.168 ( -14.566 0.000 0.000) 14.566 3.211 ( -16.737 0.000 0.000) 16.737 3.314 ( 3.554 -0.000 -0.000) 3.554 3.674 ( 5.606 -0.000 -0.000) 5.606 3.780 ( 7.499 -0.000 -0.000) 7.499 3.980 ( 1.248 -0.000 -0.000) 1.248 4.052 ( 7.025 -0.000 -0.000) 7.025 4.322 ( 1.698 -0.000 -0.000) 1.698 4.353 ( 4.107 -0.000 -0.000) 4.107 4.615 ( -2.694 0.000 0.000) 2.694 6.601 ( -1.874 0.000 0.000) 1.874 6.696 ( 3.608 -0.000 -0.000) 3.608 7.059 ( -4.328 0.000 0.000) 4.328 7.906 ( 9.270 -0.000 -0.000) 9.270 7.962 ( 9.233 -0.000 -0.000) 9.233 8.280 ( -15.073 0.000 0.000) 15.073 8.284 ( -3.426 0.000 0.000) 3.426 8.465 ( -26.777 0.000 0.000) 26.777 8.664 ( 26.417 -0.000 -0.000) 26.417 8.757 ( -25.374 0.000 0.000) 25.374 9.066 ( 25.840 -0.000 -0.000) 25.840 9.095 ( 12.881 -0.000 -0.000) 12.881 9.212 ( -10.859 0.000 0.000) 10.859 9.364 ( -14.842 0.000 0.000) 14.842 9.456 ( -14.411 0.000 0.000) 14.411 9.653 ( 9.023 -0.000 -0.000) 9.023 9.819 ( -0.777 0.000 0.000) 0.777 9.955 ( 16.870 -0.000 -0.000) 16.870 10.000 ( 18.050 -0.000 -0.000) 18.050 10.242 ( -2.639 0.000 0.000) 2.639 10.289 ( 24.603 -0.000 -0.000) 24.603 10.344 ( 16.349 -0.000 -0.000) 16.349 10.359 ( -33.980 0.000 0.000) 33.980 10.540 ( -10.740 0.000 0.000) 10.740 10.541 ( 24.349 -0.000 -0.000) 24.349 10.636 ( -18.658 0.000 0.000) 18.658 10.928 ( -9.039 0.000 0.000) 9.039 10.998 ( 11.892 -0.000 -0.000) 11.892 11.267 ( -12.618 0.000 0.000) 12.618 11.518 ( -2.744 0.000 0.000) 2.744 11.520 ( -2.462 0.000 0.000) 2.462 11.796 ( 0.928 -0.000 -0.000) 0.928 11.939 ( -0.687 0.000 0.000) 0.687 11.991 ( -18.533 0.000 0.000) 18.533 12.022 ( 15.438 -0.000 -0.000) 15.438 12.259 ( -2.936 0.000 0.000) 2.936 12.511 ( -10.729 0.000 0.000) 10.729 12.557 ( 3.683 -0.000 -0.000) 3.683 12.707 ( 15.746 -0.000 -0.000) 15.746 12.857 ( 7.026 -0.000 -0.000) 7.026 12.979 ( 15.490 -0.000 -0.000) 15.490 13.235 ( -18.477 0.000 0.000) 18.477 13.423 ( 19.468 -0.000 -0.000) 19.468 13.481 ( -1.592 0.000 0.000) 1.592 13.496 ( -15.510 0.000 0.000) 15.510 13.589 ( -21.187 0.000 0.000) 21.187 13.678 ( -0.163 0.000 0.000) 0.163 13.724 ( 14.086 -0.000 -0.000) 14.086 13.931 ( -3.731 0.000 0.000) 3.731 14.116 ( 3.596 -0.000 -0.000) 3.596 14.123 ( 22.889 -0.000 -0.000) 22.889 14.246 ( -20.188 0.000 0.000) 20.188 14.503 ( 12.715 -0.000 -0.000) 12.715 14.677 ( -11.789 0.000 0.000) 11.789 14.718 ( -11.238 0.000 0.000) 11.238 14.814 ( -0.758 0.000 0.000) 0.758 15.487 ( -4.719 0.000 0.000) 4.719 15.609 ( -1.267 0.000 0.000) 1.267 15.876 ( 9.147 -0.000 -0.000) 9.147 16.066 ( -10.339 0.000 0.000) 10.339 16.424 ( 2.174 -0.000 -0.000) 2.174 16.671 ( -6.098 0.000 0.000) 6.098 16.796 ( 3.599 -0.000 -0.000) 3.599 16.879 ( -6.932 0.000 0.000) 6.932 16.932 ( -3.991 0.000 0.000) 3.991 16.962 ( 12.834 -0.000 -0.000) 12.834 17.283 ( 3.381 -0.000 -0.000) 3.381 17.543 ( -2.059 0.000 0.000) 2.059 17.599 ( 3.190 -0.000 -0.000) 3.190 17.917 ( -2.803 0.000 0.000) 2.803 18.156 ( 1.116 -0.000 -0.000) 1.116 18.389 ( -0.702 0.000 0.000) 0.702 20.209 ( 9.931 -0.000 -0.000) 9.931 20.503 ( 15.700 -0.000 -0.000) 15.700 20.815 ( 5.833 -0.000 -0.000) 5.833 21.266 ( -30.113 0.000 0.000) 30.113 22.165 ( 3.071 -0.000 -0.000) 3.071 22.183 ( -0.601 0.000 0.000) 0.601 23.593 ( -21.799 0.000 0.000) 21.799 23.721 ( 21.520 -0.000 -0.000) 21.520 25.437 ( 1.223 -0.000 -0.000) 1.223 25.602 ( -2.534 0.000 0.000) 2.534 25.614 ( -0.541 0.000 0.000) 0.541 25.831 ( 4.593 -0.000 -0.000) 4.593 ======================= Grid point 115 (72/84) ======================= q-point: (-0.48 -0.28 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( -0.000 -10.408 -22.823) 25.084 2.001 ( -0.000 -16.655 -25.887) 30.783 2.469 ( 0.000 13.028 6.447) 14.536 2.674 ( 0.000 17.030 8.575) 19.067 2.850 ( -0.000 -5.543 -18.364) 19.183 3.176 ( 0.000 -12.685 6.813) 14.399 3.361 ( 0.000 -8.038 14.102) 16.232 3.890 ( 0.000 8.928 -2.416) 9.249 4.139 ( 0.000 7.637 1.978) 7.889 4.184 ( 0.000 -2.758 21.954) 22.127 4.587 ( -0.000 -3.692 -2.720) 4.586 4.865 ( -0.000 7.701 -6.808) 10.279 6.047 ( 0.000 -11.977 15.611) 19.676 6.080 ( 0.000 -11.456 4.154) 12.186 6.897 ( 0.000 2.653 4.224) 4.988 7.167 ( -0.000 -0.982 -6.751) 6.822 7.264 ( -0.000 -3.865 -9.405) 10.168 7.379 ( -0.000 -0.530 -3.335) 3.376 7.555 ( -0.000 -2.589 0.337) 2.611 7.730 ( -0.000 -7.466 -1.538) 7.622 7.847 ( 0.000 12.010 0.792) 12.036 7.996 ( 0.000 8.069 4.037) 9.022 8.291 ( -0.000 -0.033 -2.008) 2.008 8.558 ( -0.000 -12.475 1.377) 12.551 8.564 ( -0.000 16.847 -7.378) 18.392 9.070 ( -0.000 -5.792 -10.243) 11.767 9.252 ( 0.000 6.564 -0.624) 6.594 9.608 ( 0.000 8.279 8.464) 11.840 9.652 ( 0.000 5.386 0.704) 5.432 10.007 ( 0.000 -1.175 7.574) 7.664 10.090 ( -0.000 -6.304 -0.735) 6.347 10.229 ( 0.000 2.379 1.239) 2.682 10.278 ( -0.000 -18.086 -0.749) 18.102 10.366 ( 0.000 12.746 7.362) 14.720 10.532 ( 0.000 -2.115 2.650) 3.391 10.548 ( -0.000 -4.645 -5.659) 7.321 10.982 ( -0.000 3.270 -3.836) 5.041 10.995 ( -0.000 2.102 -2.319) 3.130 11.105 ( 0.000 4.333 0.562) 4.370 11.153 ( -0.000 0.042 -2.667) 2.667 11.178 ( 0.000 2.297 1.000) 2.505 11.345 ( -0.000 7.206 -5.698) 9.187 11.402 ( 0.000 11.495 4.102) 12.205 11.713 ( -0.000 -9.024 -1.457) 9.141 11.725 ( -0.000 -11.193 -1.789) 11.335 11.769 ( -0.000 8.379 -9.015) 12.308 11.850 ( -0.000 0.935 -0.517) 1.068 11.968 ( 0.000 -14.840 8.384) 17.045 12.080 ( 0.000 5.027 11.052) 12.141 12.370 ( -0.000 -5.701 -1.637) 5.931 12.393 ( 0.000 -2.099 1.733) 2.722 12.629 ( 0.000 0.211 7.416) 7.419 12.864 ( 0.000 -4.358 1.707) 4.680 13.209 ( -0.000 0.465 -0.870) 0.987 13.261 ( 0.000 -0.539 1.497) 1.591 13.505 ( -0.000 -0.417 -8.996) 9.006 13.659 ( 0.000 3.418 -0.207) 3.424 13.695 ( 0.000 13.948 -0.259) 13.950 13.774 ( -0.000 0.051 -0.928) 0.930 14.041 ( 0.000 -1.615 9.702) 9.835 14.137 ( -0.000 0.786 -9.037) 9.071 14.462 ( 0.000 3.693 5.614) 6.720 14.555 ( -0.000 -10.102 -3.602) 10.724 14.607 ( -0.000 -3.839 0.056) 3.839 14.841 ( -0.000 -10.056 -1.150) 10.122 15.006 ( -0.000 -3.099 -0.160) 3.103 15.419 ( 0.000 4.624 1.720) 4.933 15.780 ( -0.000 -9.254 -4.638) 10.351 15.917 ( -0.000 10.673 -5.410) 11.965 16.211 ( 0.000 3.986 3.947) 5.609 16.324 ( 0.000 0.850 4.157) 4.243 16.410 ( 0.000 1.400 3.640) 3.900 16.514 ( -0.000 -1.797 -3.358) 3.808 16.544 ( -0.000 0.479 -6.143) 6.162 16.611 ( 0.000 -1.214 6.579) 6.690 17.104 ( -0.000 0.773 -9.325) 9.357 17.353 ( -0.000 -3.309 0.480) 3.344 17.692 ( -0.000 0.686 -0.590) 0.905 18.027 ( -0.000 2.338 -0.842) 2.485 18.114 ( -0.000 -0.780 -0.437) 0.894 18.196 ( 0.000 4.247 1.745) 4.591 18.372 ( -0.000 1.939 -6.001) 6.306 18.425 ( -0.000 -3.063 0.186) 3.069 18.495 ( -0.000 -0.657 -1.311) 1.467 18.625 ( 0.000 -1.587 3.761) 4.082 18.874 ( -0.000 1.312 -2.075) 2.455 20.518 ( 0.000 -7.260 8.128) 10.899 21.684 ( 0.000 18.073 -1.329) 18.122 22.170 ( 0.000 0.516 2.882) 2.928 22.179 ( -0.000 -0.526 -1.489) 1.580 23.846 ( -0.000 -18.529 2.791) 18.738 24.712 ( -0.000 1.961 -2.737) 3.367 25.472 ( -0.000 -2.278 0.537) 2.341 25.610 ( 0.000 1.257 0.068) 1.259 25.735 ( -0.000 3.941 -2.048) 4.441 25.830 ( 0.000 5.700 0.909) 5.772 ======================= Grid point 117 (73/84) ======================= q-point: (-0.48 -0.28 0.48) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.039 ( 10.135 -0.000 -21.854) 24.090 2.215 ( 17.398 -0.000 -21.937) 27.999 2.807 ( 9.348 -0.000 -3.851) 10.111 2.982 ( 4.931 0.000 3.418) 6.000 3.144 ( 11.092 0.000 9.104) 14.349 3.314 ( 10.826 0.000 18.618) 21.536 3.669 ( 11.721 -0.000 -7.459) 13.893 3.959 ( -1.168 -0.000 -1.172) 1.655 4.092 ( -3.375 0.000 6.693) 7.496 4.347 ( -8.362 -0.000 -3.793) 9.182 4.355 ( 9.068 0.000 13.513) 16.273 4.791 ( -7.461 0.000 -2.685) 7.929 6.078 ( 10.383 0.000 8.221) 13.243 6.660 ( 26.659 -0.000 3.148) 26.844 7.006 ( -4.389 -0.000 -8.229) 9.326 7.412 ( 6.501 -0.000 -12.499) 14.089 7.464 ( -7.476 0.000 8.774) 11.526 7.651 ( 28.141 -0.000 6.139) 28.803 7.776 ( 9.812 -0.000 1.874) 9.990 7.975 ( 15.680 -0.000 -11.463) 19.423 8.028 ( 8.205 -0.000 -2.472) 8.569 8.335 ( 9.978 -0.000 -5.449) 11.369 8.373 ( 8.620 0.000 7.457) 11.398 8.833 ( 24.073 -0.000 -1.175) 24.102 8.914 ( 6.925 -0.000 -15.223) 16.724 8.914 ( 3.491 0.000 3.367) 4.850 9.518 ( -12.590 0.000 -1.775) 12.714 9.549 ( 4.021 0.000 13.776) 14.351 9.802 ( -10.451 0.000 3.608) 11.056 9.960 ( -1.419 -0.000 -0.966) 1.717 10.028 ( -5.230 0.000 2.790) 5.927 10.067 ( 3.543 0.000 2.530) 4.353 10.154 ( -12.641 0.000 -3.967) 13.249 10.239 ( 3.675 -0.000 -2.173) 4.269 10.344 ( 14.654 0.000 8.512) 16.947 10.468 ( -5.561 0.000 4.940) 7.438 10.812 ( -15.772 0.000 1.995) 15.897 11.091 ( -0.288 -0.000 -7.093) 7.099 11.128 ( -1.099 -0.000 -1.096) 1.552 11.151 ( 1.727 -0.000 -1.524) 2.303 11.410 ( 15.109 -0.000 -1.808) 15.217 11.424 ( -4.829 0.000 2.091) 5.263 11.566 ( 4.721 -0.000 -5.965) 7.607 11.586 ( -1.560 0.000 6.154) 6.348 11.753 ( 2.560 0.000 2.557) 3.618 11.848 ( 11.580 -0.000 -0.009) 11.580 12.035 ( 6.819 -0.000 -8.931) 11.236 12.048 ( 0.170 -0.000 -0.381) 0.417 12.177 ( -7.236 0.000 6.304) 9.597 12.376 ( 5.718 -0.000 -4.163) 7.073 12.435 ( 6.999 -0.000 0.110) 7.000 12.742 ( 1.649 0.000 8.632) 8.788 12.879 ( 1.093 0.000 3.906) 4.056 13.160 ( 2.212 -0.000 0.611) 2.295 13.333 ( -18.984 0.000 -0.509) 18.991 13.373 ( -4.820 0.000 0.117) 4.822 13.488 ( -0.214 -0.000 -8.904) 8.906 13.598 ( 6.838 0.000 3.540) 7.700 13.786 ( -6.487 0.000 4.667) 7.991 13.987 ( 3.237 -0.000 0.292) 3.250 14.030 ( -1.568 -0.000 -9.164) 9.297 14.285 ( -6.879 0.000 1.486) 7.038 14.481 ( -2.983 0.000 11.511) 11.891 14.487 ( -6.808 -0.000 -6.940) 9.722 14.800 ( 5.667 -0.000 -2.508) 6.198 15.180 ( 1.235 -0.000 -2.097) 2.434 15.470 ( 0.862 0.000 1.117) 1.411 15.784 ( 1.874 -0.000 -6.106) 6.387 15.861 ( -11.006 -0.000 -8.100) 13.666 15.924 ( -12.772 0.000 3.400) 13.217 15.946 ( -19.942 0.000 -7.061) 21.155 16.272 ( -4.141 -0.000 -3.137) 5.195 16.332 ( 1.806 0.000 3.197) 3.672 16.517 ( -1.529 0.000 8.223) 8.364 16.784 ( 5.883 -0.000 -2.337) 6.330 16.824 ( -12.525 -0.000 -5.542) 13.696 17.136 ( -6.808 0.000 2.425) 7.227 17.423 ( -10.014 -0.000 -10.524) 14.527 17.473 ( -12.604 0.000 1.604) 12.706 17.924 ( -7.771 -0.000 -7.452) 10.767 17.988 ( -8.533 0.000 12.558) 15.183 18.225 ( -3.072 0.000 6.374) 7.075 18.309 ( -4.840 -0.000 -2.583) 5.486 18.406 ( -0.204 -0.000 -4.402) 4.407 19.462 ( 20.014 0.000 11.585) 23.125 19.468 ( 18.359 -0.000 -0.570) 18.368 20.498 ( 2.712 0.000 4.319) 5.100 21.982 ( 2.874 0.000 1.682) 3.330 22.162 ( -1.028 0.000 -0.389) 1.099 22.496 ( 14.736 -0.000 -2.062) 14.879 22.910 ( -24.357 0.000 -8.693) 25.862 24.666 ( -8.503 0.000 0.908) 8.552 25.419 ( -0.743 0.000 1.124) 1.348 25.644 ( 1.133 -0.000 -0.467) 1.225 25.721 ( -5.391 0.000 -1.660) 5.641 25.785 ( -0.402 0.000 3.702) 3.723 ======================= Grid point 125 (74/84) ======================= q-point: ( 0.30 -0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( 0.000 25.425 -0.000) 25.425 2.018 ( 0.000 25.141 -0.000) 25.141 2.462 ( -0.000 -9.386 0.000) 9.386 2.714 ( -0.000 -20.336 0.000) 20.336 2.800 ( -0.000 -5.927 0.000) 5.927 3.253 ( 0.000 25.080 -0.000) 25.080 3.676 ( -0.000 -10.354 0.000) 10.354 3.765 ( -0.000 -18.810 0.000) 18.810 4.012 ( -0.000 -6.293 0.000) 6.293 4.065 ( 0.000 3.375 -0.000) 3.375 4.684 ( -0.000 -4.321 0.000) 4.321 4.730 ( 0.000 10.453 -0.000) 10.453 6.209 ( -0.000 -11.819 0.000) 11.819 6.385 ( -0.000 -19.170 0.000) 19.170 6.813 ( -0.000 -1.709 0.000) 1.709 7.106 ( 0.000 5.459 -0.000) 5.459 7.342 ( 0.000 14.487 -0.000) 14.487 7.521 ( 0.000 5.204 -0.000) 5.204 7.567 ( -0.000 -10.963 0.000) 10.963 7.643 ( -0.000 -3.879 0.000) 3.879 7.823 ( 0.000 8.465 -0.000) 8.465 7.946 ( -0.000 -9.116 0.000) 9.116 8.251 ( 0.000 18.774 -0.000) 18.774 8.256 ( 0.000 5.490 -0.000) 5.490 8.900 ( -0.000 -21.734 0.000) 21.734 9.135 ( 0.000 5.113 -0.000) 5.113 9.244 ( 0.000 1.008 -0.000) 1.008 9.348 ( 0.000 6.500 -0.000) 6.500 9.584 ( -0.000 -1.811 0.000) 1.811 9.858 ( 0.000 2.848 -0.000) 2.848 9.867 ( 0.000 21.423 -0.000) 21.423 10.286 ( -0.000 -9.704 0.000) 9.704 10.350 ( -0.000 -5.061 0.000) 5.061 10.506 ( 0.000 0.536 -0.000) 0.536 10.702 ( -0.000 -18.673 0.000) 18.673 10.728 ( -0.000 -7.401 0.000) 7.401 10.957 ( 0.000 2.498 -0.000) 2.498 10.979 ( 0.000 1.905 -0.000) 1.905 11.003 ( 0.000 3.531 -0.000) 3.531 11.037 ( 0.000 12.797 -0.000) 12.797 11.090 ( 0.000 12.433 -0.000) 12.433 11.185 ( -0.000 -4.486 0.000) 4.486 11.321 ( -0.000 -0.345 0.000) 0.345 11.648 ( 0.000 11.283 -0.000) 11.283 11.773 ( 0.000 5.532 -0.000) 5.532 11.827 ( -0.000 -4.500 0.000) 4.500 11.828 ( 0.000 6.600 -0.000) 6.600 12.133 ( -0.000 -15.556 0.000) 15.556 12.176 ( -0.000 -15.652 0.000) 15.652 12.442 ( 0.000 0.244 -0.000) 0.244 12.568 ( -0.000 -10.276 0.000) 10.276 12.585 ( -0.000 -3.063 0.000) 3.063 12.969 ( -0.000 -6.647 0.000) 6.647 13.219 ( 0.000 0.581 -0.000) 0.581 13.259 ( -0.000 -0.089 0.000) 0.089 13.411 ( 0.000 11.733 -0.000) 11.733 13.574 ( 0.000 3.517 -0.000) 3.517 13.640 ( 0.000 0.698 -0.000) 0.698 13.731 ( 0.000 0.523 -0.000) 0.523 13.935 ( 0.000 1.223 -0.000) 1.223 14.112 ( 0.000 9.725 -0.000) 9.725 14.383 ( -0.000 -2.963 0.000) 2.963 14.708 ( -0.000 -4.285 0.000) 4.285 14.830 ( -0.000 -8.546 0.000) 8.546 15.019 ( -0.000 -5.709 0.000) 5.709 15.097 ( -0.000 -5.735 0.000) 5.735 15.267 ( 0.000 7.463 -0.000) 7.463 15.742 ( 0.000 11.190 -0.000) 11.190 16.053 ( -0.000 -11.888 0.000) 11.888 16.071 ( 0.000 4.984 -0.000) 4.984 16.169 ( 0.000 11.146 -0.000) 11.146 16.242 ( 0.000 4.105 -0.000) 4.105 16.583 ( -0.000 -2.624 0.000) 2.624 16.588 ( 0.000 0.660 -0.000) 0.660 16.637 ( -0.000 -4.116 0.000) 4.116 17.206 ( -0.000 -0.388 0.000) 0.388 17.434 ( -0.000 -4.438 0.000) 4.438 17.651 ( 0.000 1.401 -0.000) 1.401 17.937 ( 0.000 5.547 -0.000) 5.547 18.109 ( 0.000 3.073 -0.000) 3.073 18.120 ( 0.000 1.468 -0.000) 1.468 18.430 ( -0.000 -0.385 0.000) 0.385 18.468 ( -0.000 -0.236 0.000) 0.236 18.489 ( 0.000 0.131 -0.000) 0.131 18.647 ( -0.000 -3.774 0.000) 3.774 18.856 ( 0.000 2.585 -0.000) 2.585 20.654 ( -0.000 -12.678 0.000) 12.678 21.334 ( 0.000 16.371 -0.000) 16.371 22.131 ( 0.000 0.970 -0.000) 0.970 22.217 ( -0.000 -1.981 0.000) 1.981 24.190 ( -0.000 -16.085 0.000) 16.085 24.699 ( 0.000 2.153 -0.000) 2.153 25.531 ( -0.000 -3.571 0.000) 3.571 25.564 ( 0.000 2.629 -0.000) 2.629 25.646 ( 0.000 4.995 -0.000) 4.995 25.715 ( 0.000 5.217 -0.000) 5.217 ======================= Grid point 127 (75/84) ======================= q-point: ( 0.30 0.70 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.342 ( 6.906 -3.497 0.000) 7.741 2.567 ( 10.218 -8.453 0.000) 13.261 2.709 ( 9.332 10.933 -0.000) 14.374 2.916 ( 5.171 0.013 -0.000) 5.171 2.920 ( 13.475 12.719 -0.000) 18.529 3.065 ( 7.675 -4.383 0.000) 8.838 3.845 ( 2.655 4.057 -0.000) 4.848 3.983 ( -5.983 1.276 -0.000) 6.118 4.063 ( 7.080 -7.375 0.000) 10.224 4.229 ( 18.431 -6.573 0.000) 19.568 4.426 ( -7.795 -3.789 0.000) 8.667 4.775 ( -7.165 3.292 -0.000) 7.885 6.127 ( 9.732 -11.249 0.000) 14.875 6.689 ( 26.066 -5.626 0.000) 26.666 7.122 ( -7.878 -1.427 0.000) 8.006 7.379 ( -0.337 -2.925 0.000) 2.944 7.492 ( 28.048 8.048 -0.000) 29.179 7.660 ( 6.990 -3.852 0.000) 7.981 7.735 ( 7.875 -1.765 0.000) 8.071 8.018 ( 8.866 2.320 -0.000) 9.165 8.196 ( 25.557 0.323 -0.000) 25.559 8.290 ( -5.636 -9.136 0.000) 10.735 8.351 ( 17.352 3.751 -0.000) 17.753 8.739 ( 4.206 11.173 -0.000) 11.939 8.842 ( 23.879 -0.547 0.000) 23.885 9.162 ( 4.115 7.601 -0.000) 8.644 9.185 ( -8.754 3.552 -0.000) 9.447 9.566 ( -4.470 -2.192 0.000) 4.978 9.750 ( -5.050 2.145 -0.000) 5.486 9.940 ( 5.520 4.485 -0.000) 7.112 9.953 ( -8.087 6.127 -0.000) 10.146 10.044 ( -7.035 -4.159 0.000) 8.172 10.196 ( 6.069 0.215 -0.000) 6.072 10.327 ( -8.919 -8.402 0.000) 12.253 10.328 ( 4.726 -4.325 0.000) 6.406 10.513 ( 3.736 -6.036 0.000) 7.099 10.757 ( -13.250 0.608 -0.000) 13.264 11.073 ( -3.825 2.985 -0.000) 4.852 11.091 ( -5.398 4.680 -0.000) 7.144 11.288 ( 6.059 9.840 -0.000) 11.555 11.314 ( -0.302 -7.582 0.000) 7.588 11.402 ( -0.088 3.486 -0.000) 3.487 11.417 ( 11.390 5.034 -0.000) 12.453 11.634 ( 3.046 3.584 -0.000) 4.704 11.785 ( 1.505 -8.801 0.000) 8.929 11.916 ( 8.550 -3.522 0.000) 9.247 11.941 ( -1.722 9.276 -0.000) 9.434 12.089 ( 4.830 -3.283 0.000) 5.840 12.198 ( -0.323 2.347 -0.000) 2.369 12.469 ( 8.238 -4.534 0.000) 9.403 12.494 ( 4.997 -5.419 0.000) 7.371 12.639 ( 4.731 -1.193 0.000) 4.879 12.869 ( -3.996 -1.735 0.000) 4.356 13.151 ( 1.400 0.147 -0.000) 1.407 13.274 ( -11.832 4.739 -0.000) 12.746 13.387 ( -15.045 -0.842 0.000) 15.068 13.527 ( 5.773 2.513 -0.000) 6.296 13.637 ( 2.968 -0.410 0.000) 2.996 13.658 ( -4.931 2.065 -0.000) 5.346 13.917 ( 3.785 4.105 -0.000) 5.584 14.240 ( -4.571 -2.483 0.000) 5.202 14.251 ( -1.329 0.852 -0.000) 1.579 14.445 ( -2.638 -9.754 0.000) 10.104 14.603 ( -9.901 -5.243 0.000) 11.204 14.868 ( 5.306 -3.857 0.000) 6.560 15.202 ( 1.601 0.141 -0.000) 1.607 15.411 ( 1.071 4.479 -0.000) 4.605 15.812 ( -16.868 5.366 -0.000) 17.701 15.877 ( -7.542 5.291 -0.000) 9.212 15.896 ( 2.044 -3.638 0.000) 4.173 16.048 ( -20.941 -2.333 0.000) 21.070 16.262 ( -3.787 5.437 -0.000) 6.626 16.322 ( 3.636 -1.992 0.000) 4.146 16.435 ( -1.686 -2.300 0.000) 2.852 16.788 ( 6.234 1.551 -0.000) 6.424 16.852 ( -15.145 2.669 -0.000) 15.378 17.120 ( -8.445 -0.425 0.000) 8.456 17.419 ( -11.842 1.936 -0.000) 11.999 17.650 ( -6.246 -5.542 0.000) 8.350 17.807 ( -9.629 1.858 -0.000) 9.807 18.021 ( -11.181 1.315 -0.000) 11.258 18.073 ( -1.942 3.437 -0.000) 3.948 18.348 ( -4.320 -1.006 0.000) 4.436 18.476 ( -0.343 -2.219 0.000) 2.246 19.379 ( 20.233 -1.736 0.000) 20.307 19.505 ( 17.612 -3.109 0.000) 17.884 20.527 ( 3.855 -6.562 0.000) 7.611 21.704 ( -0.399 19.794 -0.000) 19.798 22.183 ( 1.789 -1.724 0.000) 2.484 22.483 ( 13.364 2.860 -0.000) 13.667 23.268 ( -20.755 -21.508 0.000) 29.890 24.488 ( -12.325 14.302 -0.000) 18.880 25.521 ( 1.326 -8.327 0.000) 8.432 25.598 ( -0.123 3.842 -0.000) 3.844 25.721 ( -1.100 0.877 -0.000) 1.407 25.763 ( -2.393 -0.335 0.000) 2.416 ======================= Grid point 130 (76/84) ======================= q-point: ( 0.30 0.70 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.600 ( 7.026 -0.000 -0.000) 7.026 2.877 ( 1.061 -0.000 -0.000) 1.061 3.107 ( 14.330 -0.000 -0.000) 14.330 3.331 ( 5.836 -0.000 -0.000) 5.836 3.508 ( -16.279 0.000 0.000) 16.279 3.577 ( 5.751 -0.000 -0.000) 5.751 3.592 ( 11.425 -0.000 -0.000) 11.425 3.947 ( 1.881 -0.000 -0.000) 1.881 3.989 ( -3.941 0.000 0.000) 3.941 4.257 ( 5.413 -0.000 -0.000) 5.413 4.401 ( -8.352 0.000 0.000) 8.352 4.628 ( 2.324 -0.000 -0.000) 2.324 6.524 ( 12.143 -0.000 -0.000) 12.143 6.701 ( -7.628 0.000 0.000) 7.628 7.147 ( -4.508 0.000 0.000) 4.508 7.754 ( 13.872 -0.000 -0.000) 13.872 7.816 ( 0.716 -0.000 -0.000) 0.716 8.083 ( 26.252 -0.000 -0.000) 26.252 8.305 ( 3.003 -0.000 -0.000) 3.003 8.590 ( -14.633 0.000 0.000) 14.633 8.605 ( 19.322 -0.000 -0.000) 19.322 8.881 ( -8.069 0.000 0.000) 8.069 8.909 ( 4.573 -0.000 -0.000) 4.573 9.207 ( -13.183 0.000 0.000) 13.183 9.286 ( 38.439 -0.000 -0.000) 38.439 9.338 ( -2.831 0.000 0.000) 2.831 9.449 ( -9.433 0.000 0.000) 9.433 9.497 ( 30.446 -0.000 -0.000) 30.446 9.599 ( -7.542 0.000 0.000) 7.542 9.823 ( 20.456 -0.000 -0.000) 20.456 9.824 ( 0.130 -0.000 -0.000) 0.130 9.940 ( -23.385 0.000 0.000) 23.385 10.018 ( 26.282 -0.000 -0.000) 26.282 10.186 ( 2.986 -0.000 -0.000) 2.986 10.293 ( -2.325 0.000 0.000) 2.325 10.716 ( 11.113 -0.000 -0.000) 11.113 10.774 ( -8.434 0.000 0.000) 8.434 10.915 ( -17.035 0.000 0.000) 17.035 11.038 ( -20.222 0.000 0.000) 20.222 11.156 ( -8.377 0.000 0.000) 8.377 11.457 ( 19.936 -0.000 -0.000) 19.936 11.512 ( -13.337 0.000 0.000) 13.337 11.528 ( 1.174 -0.000 -0.000) 1.174 11.674 ( 7.515 -0.000 -0.000) 7.515 11.766 ( 1.762 -0.000 -0.000) 1.762 12.001 ( -3.928 0.000 0.000) 3.928 12.287 ( 21.392 -0.000 -0.000) 21.392 12.326 ( -1.623 0.000 0.000) 1.623 12.391 ( -20.727 0.000 0.000) 20.727 12.506 ( -1.662 0.000 0.000) 1.662 12.623 ( 20.820 -0.000 -0.000) 20.820 12.633 ( -1.782 0.000 0.000) 1.782 12.713 ( 7.058 -0.000 -0.000) 7.058 13.014 ( 18.346 -0.000 -0.000) 18.346 13.411 ( 11.208 -0.000 -0.000) 11.208 13.452 ( 4.134 -0.000 -0.000) 4.134 13.476 ( -6.257 0.000 0.000) 6.257 13.663 ( 1.398 -0.000 -0.000) 1.398 13.769 ( -15.147 0.000 0.000) 15.147 13.920 ( 5.151 -0.000 -0.000) 5.151 14.025 ( -5.288 0.000 0.000) 5.288 14.077 ( 1.027 -0.000 -0.000) 1.027 14.082 ( -16.833 0.000 0.000) 16.833 14.335 ( 2.552 -0.000 -0.000) 2.552 14.742 ( -28.696 0.000 0.000) 28.696 14.862 ( -3.462 0.000 0.000) 3.462 14.964 ( -11.455 0.000 0.000) 11.455 15.024 ( -22.750 0.000 0.000) 22.750 15.632 ( -9.772 0.000 0.000) 9.772 15.642 ( -0.618 0.000 0.000) 0.618 15.684 ( 7.223 -0.000 -0.000) 7.223 16.281 ( -10.187 0.000 0.000) 10.187 16.375 ( 2.427 -0.000 -0.000) 2.427 16.650 ( 8.813 -0.000 -0.000) 8.813 16.687 ( 13.228 -0.000 -0.000) 13.228 16.806 ( -6.917 0.000 0.000) 6.917 16.976 ( 0.330 -0.000 -0.000) 0.330 17.035 ( -8.254 0.000 0.000) 8.254 17.315 ( -5.062 0.000 0.000) 5.062 17.568 ( -0.521 0.000 0.000) 0.521 17.643 ( -7.753 0.000 0.000) 7.753 17.986 ( -3.674 0.000 0.000) 3.674 18.168 ( -2.236 0.000 0.000) 2.236 18.412 ( -1.356 0.000 0.000) 1.356 19.987 ( 11.867 -0.000 -0.000) 11.867 20.167 ( 16.835 -0.000 -0.000) 16.835 20.690 ( 6.255 -0.000 -0.000) 6.255 21.874 ( -29.038 0.000 0.000) 29.038 22.100 ( 3.300 -0.000 -0.000) 3.300 22.188 ( 0.114 -0.000 -0.000) 0.114 23.283 ( 21.061 -0.000 -0.000) 21.061 24.027 ( -20.148 0.000 0.000) 20.148 25.413 ( 1.013 -0.000 -0.000) 1.013 25.630 ( -1.155 0.000 0.000) 1.155 25.655 ( -2.542 0.000 0.000) 2.542 25.745 ( 3.638 -0.000 -0.000) 3.638 ======================= Grid point 139 (77/84) ======================= q-point: (-0.43 -0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( 5.914 -0.000 -26.142) 26.803 1.917 ( 10.824 -0.000 -27.319) 29.385 2.655 ( 5.167 0.000 2.492) 5.736 2.858 ( 6.042 -0.000 -21.706) 22.531 2.946 ( 7.435 0.000 9.270) 11.884 3.126 ( 6.892 0.000 22.472) 23.505 3.401 ( 12.159 0.000 5.881) 13.506 3.968 ( -0.580 -0.000 -4.101) 4.142 4.162 ( -1.252 0.000 14.430) 14.484 4.230 ( 1.863 0.000 13.303) 13.433 4.488 ( -5.064 -0.000 -4.548) 6.806 4.909 ( -3.939 -0.000 -5.569) 6.821 5.918 ( 4.512 0.000 9.771) 10.762 6.194 ( 18.073 0.000 8.948) 20.167 7.073 ( -2.094 -0.000 -11.902) 12.085 7.105 ( 17.048 -0.000 3.999) 17.511 7.331 ( 5.667 -0.000 -6.137) 8.353 7.575 ( 16.230 -0.000 -4.777) 16.919 7.581 ( -3.554 0.000 4.172) 5.481 7.617 ( 6.899 -0.000 1.279) 7.017 7.970 ( 0.623 -0.000 -5.501) 5.537 8.175 ( 4.915 0.000 4.860) 6.912 8.364 ( -2.172 0.000 1.676) 2.744 8.419 ( 13.259 -0.000 -0.297) 13.262 8.854 ( 2.102 0.000 1.385) 2.518 8.876 ( -2.135 -0.000 -20.599) 20.710 9.433 ( 6.868 0.000 5.516) 8.809 9.751 ( -8.692 -0.000 -4.661) 9.863 9.823 ( 11.378 -0.000 3.113) 11.796 9.940 ( 3.619 0.000 3.920) 5.335 9.980 ( -5.386 0.000 6.516) 8.454 10.045 ( 1.699 0.000 4.278) 4.603 10.207 ( -2.123 -0.000 -1.875) 2.832 10.355 ( -7.310 -0.000 -5.366) 9.068 10.380 ( -8.399 0.000 10.593) 13.519 10.600 ( -3.712 0.000 6.021) 7.073 11.021 ( 0.490 -0.000 -10.914) 10.925 11.100 ( -8.836 0.000 -0.132) 8.837 11.127 ( 6.867 -0.000 -1.589) 7.048 11.157 ( 2.022 -0.000 -0.734) 2.151 11.176 ( -1.064 -0.000 -0.995) 1.457 11.480 ( -1.701 0.000 2.052) 2.665 11.484 ( 3.624 -0.000 -6.453) 7.401 11.607 ( 7.428 -0.000 -1.529) 7.584 11.645 ( -4.076 0.000 6.031) 7.279 11.750 ( 2.072 0.000 7.052) 7.350 11.922 ( 3.843 -0.000 -10.916) 11.573 11.972 ( 6.861 -0.000 -2.158) 7.192 12.193 ( 6.306 0.000 7.177) 9.553 12.323 ( -2.713 0.000 2.581) 3.745 12.341 ( 2.135 -0.000 0.633) 2.227 12.671 ( 3.539 0.000 10.842) 11.405 12.840 ( 2.114 0.000 1.260) 2.461 13.157 ( -1.780 0.000 0.839) 1.968 13.360 ( 6.210 -0.000 -0.993) 6.289 13.493 ( -0.519 -0.000 -8.990) 9.005 13.627 ( -6.882 0.000 4.001) 7.960 13.659 ( -11.164 0.000 -3.882) 11.820 13.920 ( -6.286 0.000 5.278) 8.208 13.948 ( -0.219 0.000 1.061) 1.083 14.050 ( -0.185 -0.000 -8.404) 8.406 14.387 ( -3.185 0.000 0.526) 3.228 14.545 ( -3.394 0.000 11.517) 12.007 14.606 ( -4.374 -0.000 -8.971) 9.981 14.656 ( 7.323 -0.000 0.031) 7.323 15.079 ( 7.387 -0.000 -1.162) 7.478 15.467 ( -0.110 0.000 1.279) 1.284 15.702 ( 2.743 -0.000 -5.216) 5.894 16.040 ( -1.151 -0.000 -2.151) 2.440 16.114 ( -12.283 0.000 -4.028) 12.927 16.291 ( -11.204 0.000 -2.072) 11.394 16.308 ( 0.433 0.000 1.066) 1.150 16.411 ( -6.783 0.000 -1.685) 6.989 16.577 ( -3.238 0.000 8.447) 9.047 16.652 ( 6.762 -0.000 -2.224) 7.118 17.037 ( -7.275 -0.000 -8.264) 11.010 17.262 ( -4.962 0.000 0.822) 5.029 17.618 ( -7.679 -0.000 -4.635) 8.969 17.779 ( -17.297 0.000 0.356) 17.301 18.043 ( -3.846 -0.000 -6.363) 7.435 18.199 ( -11.839 0.000 5.634) 13.111 18.276 ( -1.319 0.000 4.627) 4.812 18.397 ( -3.903 -0.000 -2.140) 4.451 18.403 ( 0.316 -0.000 -3.853) 3.866 18.995 ( 24.554 -0.000 8.319) 25.925 19.106 ( 16.385 -0.000 -2.701) 16.606 20.456 ( 1.408 0.000 7.421) 7.554 21.933 ( 1.859 0.000 1.449) 2.357 22.173 ( -0.233 0.000 2.355) 2.367 22.259 ( 8.015 -0.000 -1.636) 8.180 23.379 ( -19.650 0.000 -4.932) 20.260 24.750 ( -0.180 -0.000 -0.329) 0.375 25.438 ( -0.849 0.000 0.795) 1.163 25.628 ( 0.450 -0.000 -0.274) 0.526 25.782 ( 0.267 -0.000 -0.840) 0.881 25.839 ( -5.171 0.000 1.581) 5.407 ======================= Grid point 149 (78/84) ======================= q-point: ( 0.35 0.65 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( 5.070 -4.869 0.000) 7.030 2.399 ( 6.143 -13.237 0.000) 14.593 2.503 ( 8.703 12.951 -0.000) 15.603 2.690 ( 8.355 15.303 -0.000) 17.436 2.801 ( 5.595 1.167 -0.000) 5.715 3.053 ( -5.702 -10.861 0.000) 12.267 3.677 ( 16.497 -10.779 0.000) 19.706 3.926 ( 4.489 -5.718 0.000) 7.270 3.949 ( 4.149 10.938 -0.000) 11.698 4.084 ( -2.759 0.882 -0.000) 2.896 4.561 ( -4.762 -2.763 0.000) 5.506 4.889 ( -3.812 6.298 -0.000) 7.362 5.965 ( 5.839 -12.780 0.000) 14.051 6.227 ( 17.367 -10.385 0.000) 20.235 7.025 ( 16.110 3.756 -0.000) 16.542 7.227 ( -1.733 1.111 -0.000) 2.058 7.363 ( 1.527 -2.867 0.000) 3.248 7.545 ( 6.521 0.984 -0.000) 6.595 7.601 ( 4.624 -3.199 0.000) 5.622 7.730 ( 8.934 -3.571 0.000) 9.621 7.967 ( 4.382 4.733 -0.000) 6.450 8.040 ( 11.100 5.962 -0.000) 12.600 8.441 ( -7.683 -9.016 0.000) 11.845 8.448 ( 13.389 -0.754 0.000) 13.410 8.666 ( 2.927 13.036 -0.000) 13.361 9.174 ( -4.353 5.305 -0.000) 6.863 9.249 ( 1.354 -2.457 0.000) 2.805 9.631 ( -1.533 6.334 -0.000) 6.517 9.653 ( 11.509 10.062 -0.000) 15.287 9.894 ( -1.304 2.130 -0.000) 2.497 10.116 ( 1.691 -7.844 0.000) 8.024 10.116 ( -8.619 3.715 -0.000) 9.385 10.225 ( -8.397 -7.605 0.000) 11.329 10.275 ( 1.343 -4.180 0.000) 4.390 10.472 ( -4.160 -2.119 0.000) 4.668 10.538 ( -4.136 -5.278 0.000) 6.706 10.971 ( -8.126 3.982 -0.000) 9.049 11.088 ( 4.241 4.701 -0.000) 6.331 11.117 ( 8.500 2.984 -0.000) 9.008 11.134 ( -1.801 1.600 -0.000) 2.409 11.290 ( 5.039 -1.676 0.000) 5.311 11.341 ( -1.225 12.323 -0.000) 12.383 11.420 ( -1.585 3.933 -0.000) 4.240 11.600 ( -3.464 -4.193 0.000) 5.438 11.757 ( 4.104 -6.797 0.000) 7.940 11.821 ( -1.817 -9.276 0.000) 9.453 11.915 ( 2.097 10.175 -0.000) 10.389 11.994 ( 4.181 -0.368 0.000) 4.197 12.105 ( 10.947 0.056 -0.000) 10.947 12.384 ( -0.510 -5.326 0.000) 5.350 12.415 ( 2.684 -6.380 0.000) 6.921 12.562 ( 2.738 -1.765 0.000) 3.258 12.871 ( 1.617 -3.746 0.000) 4.079 13.157 ( -1.965 -0.595 0.000) 2.053 13.372 ( 7.731 0.187 -0.000) 7.734 13.497 ( -10.239 7.651 -0.000) 12.782 13.629 ( -0.588 -0.192 0.000) 0.619 13.666 ( -7.198 -0.205 0.000) 7.201 13.762 ( -2.126 8.412 -0.000) 8.676 13.861 ( -2.651 0.219 -0.000) 2.660 14.291 ( -2.296 6.806 -0.000) 7.182 14.296 ( -1.229 -4.249 0.000) 4.423 14.509 ( -3.476 -9.494 0.000) 10.110 14.728 ( 7.405 -6.787 0.000) 10.044 14.780 ( -6.990 -7.047 0.000) 9.926 15.104 ( 6.639 -1.364 0.000) 6.778 15.403 ( 0.030 4.885 -0.000) 4.885 15.843 ( 1.923 -8.133 0.000) 8.357 15.960 ( -1.457 9.007 -0.000) 9.124 16.076 ( -8.902 4.484 -0.000) 9.967 16.286 ( 0.296 1.346 -0.000) 1.378 16.341 ( -3.111 6.034 -0.000) 6.789 16.392 ( -12.095 -3.105 0.000) 12.488 16.516 ( -4.148 -3.224 0.000) 5.254 16.664 ( 5.228 1.086 -0.000) 5.340 17.113 ( -8.923 0.938 -0.000) 8.972 17.280 ( -6.441 -2.101 0.000) 6.775 17.625 ( -6.056 2.057 -0.000) 6.396 17.825 ( -12.514 -3.366 0.000) 12.959 18.046 ( -12.071 6.376 -0.000) 13.652 18.104 ( -1.058 3.141 -0.000) 3.314 18.249 ( -11.455 -2.183 0.000) 11.661 18.425 ( -3.264 -0.639 0.000) 3.326 18.461 ( 1.680 -1.822 0.000) 2.478 18.932 ( 22.427 -0.974 0.000) 22.448 19.141 ( 17.407 -0.797 0.000) 17.426 20.462 ( 2.277 -7.389 0.000) 7.732 21.700 ( 0.448 17.462 -0.000) 17.467 22.154 ( 1.021 -0.210 0.000) 1.042 22.268 ( 7.305 0.400 -0.000) 7.316 23.652 ( -15.215 -18.513 0.000) 23.963 24.681 ( -6.049 6.597 -0.000) 8.950 25.485 ( 1.658 -4.569 0.000) 4.860 25.604 ( -0.363 2.427 -0.000) 2.454 25.746 ( -1.145 3.633 -0.000) 3.809 25.802 ( -1.305 1.950 -0.000) 2.346 ======================= Grid point 152 (79/84) ======================= q-point: ( 0.35 0.65 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.452 ( 7.173 -0.000 -0.000) 7.173 2.786 ( 16.145 -0.000 -0.000) 16.145 2.851 ( 1.089 -0.000 -0.000) 1.089 3.121 ( 12.455 -0.000 -0.000) 12.455 3.330 ( 13.424 -0.000 -0.000) 13.424 3.357 ( 14.025 -0.000 -0.000) 14.025 3.800 ( -11.965 0.000 0.000) 11.965 3.907 ( 2.007 -0.000 -0.000) 2.007 4.129 ( 7.024 -0.000 -0.000) 7.024 4.174 ( -11.020 0.000 0.000) 11.020 4.487 ( 11.810 -0.000 -0.000) 11.810 4.607 ( -10.770 0.000 0.000) 10.770 6.251 ( 13.449 -0.000 -0.000) 13.449 6.891 ( -10.041 0.000 0.000) 10.041 7.251 ( -5.791 0.000 0.000) 5.791 7.258 ( 30.544 -0.000 -0.000) 30.544 7.759 ( 8.904 -0.000 -0.000) 8.904 7.806 ( 2.247 -0.000 -0.000) 2.247 8.189 ( 5.040 -0.000 -0.000) 5.040 8.270 ( 13.297 -0.000 -0.000) 13.297 8.356 ( 40.205 -0.000 -0.000) 40.205 8.735 ( 15.608 -0.000 -0.000) 15.608 8.828 ( 33.252 -0.000 -0.000) 33.252 8.833 ( -7.334 0.000 0.000) 7.334 9.086 ( -8.642 0.000 0.000) 8.642 9.317 ( -5.816 0.000 0.000) 5.816 9.377 ( 25.467 -0.000 -0.000) 25.467 9.521 ( 19.075 -0.000 -0.000) 19.075 9.525 ( -12.222 0.000 0.000) 12.222 9.821 ( -10.773 0.000 0.000) 10.773 9.827 ( -20.986 0.000 0.000) 20.986 9.844 ( -3.058 0.000 0.000) 3.058 10.126 ( 3.582 -0.000 -0.000) 3.582 10.332 ( -1.058 0.000 0.000) 1.058 10.388 ( -20.443 0.000 0.000) 20.443 10.477 ( 9.530 -0.000 -0.000) 9.530 10.847 ( 31.670 -0.000 -0.000) 31.670 10.981 ( -9.941 0.000 0.000) 9.941 11.121 ( -4.576 0.000 0.000) 4.576 11.217 ( 1.453 -0.000 -0.000) 1.453 11.333 ( -8.858 0.000 0.000) 8.858 11.496 ( 1.569 -0.000 -0.000) 1.569 11.642 ( 1.729 -0.000 -0.000) 1.729 11.731 ( 1.852 -0.000 -0.000) 1.852 11.839 ( -16.387 0.000 0.000) 16.387 11.866 ( 19.383 -0.000 -0.000) 19.383 12.061 ( -1.492 0.000 0.000) 1.492 12.177 ( 19.470 -0.000 -0.000) 19.470 12.269 ( 5.178 -0.000 -0.000) 5.178 12.567 ( 7.031 -0.000 -0.000) 7.031 12.594 ( 5.493 -0.000 -0.000) 5.493 12.681 ( -12.099 0.000 0.000) 12.099 12.758 ( 8.138 -0.000 -0.000) 8.138 12.851 ( -23.887 0.000 0.000) 23.887 13.243 ( 6.105 -0.000 -0.000) 6.105 13.351 ( 4.128 -0.000 -0.000) 4.128 13.580 ( -4.737 0.000 0.000) 4.737 13.633 ( 1.202 -0.000 -0.000) 1.202 13.768 ( 9.381 -0.000 -0.000) 9.381 14.044 ( 2.430 -0.000 -0.000) 2.430 14.046 ( -11.256 0.000 0.000) 11.256 14.138 ( -5.583 0.000 0.000) 5.583 14.267 ( -3.587 0.000 0.000) 3.587 14.393 ( -6.616 0.000 0.000) 6.616 14.908 ( 0.452 -0.000 -0.000) 0.452 15.147 ( -6.001 0.000 0.000) 6.001 15.364 ( -29.623 0.000 0.000) 29.623 15.515 ( 5.199 -0.000 -0.000) 5.199 15.548 ( -25.923 0.000 0.000) 25.923 15.750 ( -7.011 0.000 0.000) 7.011 15.851 ( -8.734 0.000 0.000) 8.734 16.329 ( 2.003 -0.000 -0.000) 2.003 16.350 ( 6.626 -0.000 -0.000) 6.626 16.484 ( 6.579 -0.000 -0.000) 6.579 16.598 ( -10.011 0.000 0.000) 10.011 16.922 ( 4.591 -0.000 -0.000) 4.591 16.956 ( -7.635 0.000 0.000) 7.635 17.221 ( -10.077 0.000 0.000) 10.077 17.443 ( -6.673 0.000 0.000) 6.673 17.633 ( -5.993 0.000 0.000) 5.993 17.839 ( -10.494 0.000 0.000) 10.494 18.057 ( -3.072 0.000 0.000) 3.072 18.241 ( -4.517 0.000 0.000) 4.517 18.437 ( -0.902 0.000 0.000) 0.902 19.713 ( 15.117 -0.000 -0.000) 15.117 19.820 ( 16.912 -0.000 -0.000) 16.912 20.564 ( 5.829 -0.000 -0.000) 5.829 22.031 ( 3.327 -0.000 -0.000) 3.327 22.180 ( 0.641 -0.000 -0.000) 0.641 22.452 ( -27.295 0.000 0.000) 27.295 22.868 ( 19.098 -0.000 -0.000) 19.098 24.403 ( -16.080 0.000 0.000) 16.080 25.400 ( 0.092 -0.000 -0.000) 0.092 25.665 ( -2.325 0.000 0.000) 2.325 25.684 ( 2.335 -0.000 -0.000) 2.335 25.706 ( -2.424 0.000 0.000) 2.424 ======================= Grid point 160 (80/84) ======================= q-point: (-0.38 -0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( -0.000 -0.000 -29.816) 29.816 1.808 ( -0.000 -0.000 -26.060) 26.060 2.601 ( 0.000 0.000 6.263) 6.263 2.788 ( -0.000 -0.000 -39.401) 39.401 2.866 ( 0.000 0.000 7.812) 7.812 3.052 ( 0.000 0.000 24.099) 24.099 3.262 ( 0.000 0.000 17.344) 17.344 3.977 ( -0.000 -0.000 -6.247) 6.247 4.156 ( 0.000 0.000 24.643) 24.643 4.236 ( 0.000 0.000 5.420) 5.420 4.542 ( -0.000 -0.000 -4.485) 4.485 4.949 ( -0.000 -0.000 -6.840) 6.840 5.914 ( 0.000 0.000 17.290) 17.290 5.956 ( 0.000 0.000 6.245) 6.245 6.922 ( 0.000 0.000 3.888) 3.888 7.094 ( -0.000 -0.000 -12.985) 12.985 7.291 ( -0.000 -0.000 -7.283) 7.283 7.374 ( -0.000 -0.000 -3.056) 3.056 7.547 ( 0.000 0.000 2.121) 2.121 7.614 ( 0.000 0.000 0.314) 0.314 7.962 ( -0.000 -0.000 -4.283) 4.283 8.130 ( 0.000 0.000 10.327) 10.327 8.271 ( -0.000 -0.000 -1.650) 1.650 8.413 ( -0.000 -0.000 -1.570) 1.570 8.832 ( 0.000 0.000 1.007) 1.007 8.925 ( -0.000 -0.000 -19.877) 19.877 9.334 ( -0.000 -0.000 -2.002) 2.002 9.696 ( 0.000 0.000 10.926) 10.926 9.842 ( -0.000 -0.000 -6.546) 6.546 9.903 ( 0.000 0.000 4.719) 4.719 9.989 ( 0.000 0.000 5.825) 5.825 10.064 ( 0.000 0.000 4.539) 4.539 10.237 ( 0.000 0.000 2.638) 2.638 10.479 ( 0.000 0.000 8.294) 8.294 10.501 ( -0.000 -0.000 -6.000) 6.000 10.554 ( -0.000 -0.000 -0.099) 0.099 11.020 ( -0.000 -0.000 -2.010) 2.010 11.065 ( -0.000 -0.000 -3.554) 3.554 11.146 ( -0.000 -0.000 -3.649) 3.649 11.183 ( -0.000 -0.000 -1.968) 1.968 11.188 ( -0.000 -0.000 -1.526) 1.526 11.435 ( -0.000 -0.000 -5.066) 5.066 11.525 ( -0.000 -0.000 -1.885) 1.885 11.548 ( 0.000 0.000 0.515) 0.515 11.696 ( 0.000 0.000 5.341) 5.341 11.723 ( 0.000 0.000 8.671) 8.671 11.839 ( -0.000 -0.000 -2.322) 2.322 11.884 ( -0.000 -0.000 -11.652) 11.652 12.129 ( 0.000 0.000 11.701) 11.701 12.308 ( -0.000 -0.000 -0.724) 0.724 12.365 ( 0.000 0.000 3.407) 3.407 12.631 ( 0.000 0.000 10.084) 10.084 12.816 ( 0.000 0.000 1.756) 1.756 13.212 ( -0.000 -0.000 -0.178) 0.178 13.254 ( 0.000 0.000 1.456) 1.456 13.499 ( -0.000 -0.000 -9.114) 9.114 13.699 ( 0.000 0.000 1.400) 1.400 13.772 ( -0.000 -0.000 -2.375) 2.375 13.975 ( 0.000 0.000 2.596) 2.596 14.023 ( -0.000 -0.000 -11.793) 11.793 14.023 ( 0.000 0.000 7.633) 7.633 14.419 ( -0.000 -0.000 -0.005) 0.005 14.562 ( 0.000 0.000 0.537) 0.537 14.595 ( 0.000 0.000 10.664) 10.664 14.653 ( -0.000 -0.000 -9.777) 9.777 14.975 ( -0.000 -0.000 -0.500) 0.500 15.468 ( 0.000 0.000 1.445) 1.445 15.677 ( -0.000 -0.000 -5.142) 5.142 16.046 ( -0.000 -0.000 -2.672) 2.672 16.259 ( 0.000 0.000 2.984) 2.984 16.327 ( 0.000 0.000 1.128) 1.128 16.396 ( -0.000 -0.000 -0.068) 0.068 16.494 ( -0.000 -0.000 -3.196) 3.196 16.550 ( -0.000 -0.000 -6.492) 6.492 16.613 ( 0.000 0.000 8.981) 8.981 17.112 ( -0.000 -0.000 -8.791) 8.791 17.317 ( 0.000 0.000 0.217) 0.217 17.699 ( -0.000 -0.000 -0.574) 0.574 18.052 ( -0.000 -0.000 -2.471) 2.471 18.101 ( 0.000 0.000 0.092) 0.092 18.257 ( 0.000 0.000 2.081) 2.081 18.376 ( -0.000 -0.000 -0.540) 0.540 18.398 ( -0.000 -0.000 -3.838) 3.838 18.485 ( -0.000 -0.000 -3.037) 3.037 18.608 ( 0.000 0.000 4.479) 4.479 18.888 ( -0.000 -0.000 -1.939) 1.939 20.441 ( 0.000 0.000 8.569) 8.569 21.912 ( 0.000 0.000 1.149) 1.149 22.175 ( 0.000 0.000 3.165) 3.165 22.176 ( -0.000 -0.000 -1.282) 1.282 23.608 ( 0.000 0.000 0.216) 0.216 24.733 ( -0.000 -0.000 -2.351) 2.351 25.447 ( 0.000 0.000 0.626) 0.626 25.624 ( -0.000 -0.000 -0.199) 0.199 25.778 ( -0.000 -0.000 -2.906) 2.906 25.899 ( 0.000 0.000 2.867) 2.867 ======================= Grid point 170 (81/84) ======================= q-point: ( 0.40 0.60 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.157 ( -0.000 -5.995 0.000) 5.995 2.331 ( -0.000 -14.999 0.000) 14.999 2.407 ( 0.000 13.714 -0.000) 13.714 2.601 ( 0.000 16.469 -0.000) 16.469 2.738 ( -0.000 -0.413 0.000) 0.413 3.193 ( -0.000 -11.665 0.000) 11.665 3.401 ( -0.000 -13.965 0.000) 13.965 3.880 ( -0.000 -5.316 0.000) 5.316 3.930 ( 0.000 16.700 -0.000) 16.700 4.111 ( 0.000 0.917 -0.000) 0.917 4.611 ( -0.000 -2.579 0.000) 2.579 4.929 ( 0.000 7.626 -0.000) 7.626 5.902 ( -0.000 -13.391 0.000) 13.391 6.039 ( -0.000 -12.913 0.000) 12.913 6.858 ( 0.000 2.708 -0.000) 2.708 7.229 ( 0.000 4.505 -0.000) 4.505 7.360 ( -0.000 -6.091 0.000) 6.091 7.410 ( -0.000 -0.495 0.000) 0.495 7.553 ( -0.000 -3.836 0.000) 3.836 7.748 ( -0.000 -9.566 0.000) 9.566 7.824 ( 0.000 15.141 -0.000) 15.141 7.973 ( 0.000 5.561 -0.000) 5.561 8.312 ( -0.000 -0.100 0.000) 0.100 8.544 ( -0.000 -11.790 0.000) 11.790 8.624 ( 0.000 15.853 -0.000) 15.853 9.218 ( -0.000 -3.589 0.000) 3.589 9.259 ( 0.000 6.606 -0.000) 6.606 9.492 ( 0.000 5.979 -0.000) 5.979 9.641 ( 0.000 7.475 -0.000) 7.475 9.902 ( 0.000 1.314 -0.000) 1.314 10.102 ( -0.000 -7.795 0.000) 7.795 10.262 ( -0.000 -3.123 0.000) 3.123 10.269 ( 0.000 14.612 -0.000) 14.612 10.282 ( -0.000 -20.521 0.000) 20.521 10.508 ( 0.000 0.740 -0.000) 0.740 10.601 ( -0.000 -4.449 0.000) 4.449 11.019 ( 0.000 1.712 -0.000) 1.712 11.028 ( 0.000 4.746 -0.000) 4.746 11.092 ( 0.000 5.419 -0.000) 5.419 11.171 ( 0.000 2.274 -0.000) 2.274 11.175 ( 0.000 1.084 -0.000) 1.084 11.357 ( 0.000 12.278 -0.000) 12.278 11.395 ( 0.000 6.555 -0.000) 6.555 11.707 ( -0.000 -6.908 0.000) 6.908 11.786 ( -0.000 -16.865 0.000) 16.865 11.867 ( -0.000 -13.351 0.000) 13.351 11.868 ( 0.000 4.333 -0.000) 4.333 11.892 ( 0.000 9.787 -0.000) 9.787 11.936 ( 0.000 3.789 -0.000) 3.789 12.387 ( -0.000 -6.651 0.000) 6.651 12.399 ( -0.000 -3.870 0.000) 3.870 12.532 ( -0.000 -1.976 0.000) 1.976 12.850 ( -0.000 -4.358 0.000) 4.358 13.219 ( -0.000 -0.278 0.000) 0.278 13.249 ( -0.000 -0.642 0.000) 0.642 13.637 ( -0.000 -0.621 0.000) 0.621 13.650 ( 0.000 3.156 -0.000) 3.156 13.693 ( 0.000 15.162 -0.000) 15.162 13.734 ( -0.000 -0.201 0.000) 0.201 13.959 ( 0.000 1.005 -0.000) 1.005 14.304 ( -0.000 -5.078 0.000) 5.078 14.321 ( 0.000 9.988 -0.000) 9.988 14.581 ( -0.000 -13.386 0.000) 13.386 14.606 ( -0.000 -4.373 0.000) 4.373 14.867 ( -0.000 -8.307 0.000) 8.307 15.009 ( -0.000 -2.744 0.000) 2.744 15.404 ( 0.000 4.914 -0.000) 4.914 15.825 ( -0.000 -8.850 0.000) 8.850 15.969 ( 0.000 9.094 -0.000) 9.094 16.171 ( 0.000 4.428 -0.000) 4.428 16.288 ( 0.000 2.669 -0.000) 2.669 16.375 ( 0.000 5.979 -0.000) 5.979 16.535 ( -0.000 -1.788 0.000) 1.788 16.546 ( -0.000 -4.376 0.000) 4.376 16.603 ( 0.000 0.621 -0.000) 0.621 17.203 ( 0.000 0.050 -0.000) 0.050 17.352 ( -0.000 -3.099 0.000) 3.099 17.677 ( 0.000 1.011 -0.000) 1.011 18.033 ( 0.000 3.406 -0.000) 3.406 18.118 ( -0.000 -1.175 0.000) 1.175 18.191 ( 0.000 4.393 -0.000) 4.393 18.429 ( 0.000 0.152 -0.000) 0.152 18.437 ( -0.000 -2.508 0.000) 2.508 18.502 ( 0.000 0.891 -0.000) 0.891 18.581 ( -0.000 -2.398 0.000) 2.398 18.895 ( 0.000 1.197 -0.000) 1.197 20.438 ( -0.000 -7.582 0.000) 7.582 21.694 ( 0.000 16.695 -0.000) 16.695 22.143 ( 0.000 0.295 -0.000) 0.295 22.192 ( -0.000 -0.534 0.000) 0.534 23.823 ( -0.000 -17.344 0.000) 17.344 24.738 ( 0.000 1.500 -0.000) 1.500 25.467 ( -0.000 -2.327 0.000) 2.327 25.609 ( 0.000 1.552 -0.000) 1.552 25.759 ( 0.000 5.126 -0.000) 5.126 25.815 ( 0.000 3.909 -0.000) 3.909 ======================= Grid point 173 (82/84) ======================= q-point: ( 0.40 0.60 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.305 ( 7.293 -0.000 -0.000) 7.293 2.473 ( 13.719 -0.000 -0.000) 13.719 2.852 ( -1.700 0.000 0.000) 1.700 2.856 ( 12.821 -0.000 -0.000) 12.821 3.064 ( 13.430 -0.000 -0.000) 13.430 3.066 ( 11.805 -0.000 -0.000) 11.805 3.838 ( 7.199 -0.000 -0.000) 7.199 3.979 ( 7.028 -0.000 -0.000) 7.028 3.994 ( -6.887 0.000 0.000) 6.887 4.190 ( 13.403 -0.000 -0.000) 13.403 4.384 ( -8.983 0.000 0.000) 8.983 4.814 ( -8.962 0.000 0.000) 8.962 5.999 ( 10.813 -0.000 -0.000) 10.813 6.635 ( 29.024 -0.000 -0.000) 29.024 7.077 ( -7.402 0.000 0.000) 7.402 7.388 ( -7.520 0.000 0.000) 7.520 7.565 ( 29.467 -0.000 -0.000) 29.467 7.588 ( 8.781 -0.000 -0.000) 8.781 7.718 ( 10.535 -0.000 -0.000) 10.535 8.047 ( 11.123 -0.000 -0.000) 11.123 8.198 ( 24.320 -0.000 -0.000) 24.320 8.200 ( -5.115 0.000 0.000) 5.115 8.401 ( 15.410 -0.000 -0.000) 15.410 8.833 ( 25.111 -0.000 -0.000) 25.111 8.879 ( 1.164 -0.000 -0.000) 1.164 9.223 ( -2.529 0.000 0.000) 2.529 9.260 ( 6.628 -0.000 -0.000) 6.628 9.532 ( -13.546 0.000 0.000) 13.546 9.761 ( -10.251 0.000 0.000) 10.251 9.973 ( -5.582 0.000 0.000) 5.582 9.974 ( -3.583 0.000 0.000) 3.583 10.050 ( -0.505 0.000 0.000) 0.505 10.221 ( -16.644 0.000 0.000) 16.644 10.257 ( 25.305 -0.000 -0.000) 25.305 10.277 ( 4.750 -0.000 -0.000) 4.750 10.405 ( -1.673 0.000 0.000) 1.673 10.782 ( -17.890 0.000 0.000) 17.890 11.153 ( 0.264 -0.000 -0.000) 0.264 11.156 ( -5.478 0.000 0.000) 5.478 11.165 ( 2.210 -0.000 -0.000) 2.210 11.425 ( 16.290 -0.000 -0.000) 16.290 11.442 ( -2.279 0.000 0.000) 2.279 11.486 ( -1.675 0.000 0.000) 1.675 11.659 ( 2.954 -0.000 -0.000) 2.954 11.675 ( 3.842 -0.000 -0.000) 3.842 11.855 ( 12.254 -0.000 -0.000) 12.254 12.056 ( 1.826 -0.000 -0.000) 1.826 12.115 ( -10.059 0.000 0.000) 10.059 12.156 ( 5.501 -0.000 -0.000) 5.501 12.416 ( 11.387 -0.000 -0.000) 11.387 12.434 ( 5.649 -0.000 -0.000) 5.649 12.628 ( 5.136 -0.000 -0.000) 5.136 12.854 ( -2.434 0.000 0.000) 2.434 13.155 ( 2.361 -0.000 -0.000) 2.361 13.333 ( -21.737 0.000 0.000) 21.737 13.373 ( -7.760 0.000 0.000) 7.760 13.564 ( 9.965 -0.000 -0.000) 9.965 13.620 ( 0.131 -0.000 -0.000) 0.131 13.683 ( -5.429 0.000 0.000) 5.429 13.983 ( 3.205 -0.000 -0.000) 3.205 14.212 ( -3.827 0.000 0.000) 3.827 14.253 ( -5.811 0.000 0.000) 5.811 14.309 ( -2.557 0.000 0.000) 2.557 14.550 ( -7.863 0.000 0.000) 7.863 14.822 ( 7.253 -0.000 -0.000) 7.253 15.198 ( 1.431 -0.000 -0.000) 1.431 15.461 ( 0.782 -0.000 -0.000) 0.782 15.859 ( 6.200 -0.000 -0.000) 6.200 15.874 ( -17.806 0.000 0.000) 17.806 15.938 ( -10.625 0.000 0.000) 10.625 16.018 ( -19.407 0.000 0.000) 19.407 16.299 ( 0.732 -0.000 -0.000) 0.732 16.319 ( -3.979 0.000 0.000) 3.979 16.409 ( -0.141 0.000 0.000) 0.141 16.805 ( 6.446 -0.000 -0.000) 6.446 16.880 ( -14.629 0.000 0.000) 14.629 17.116 ( -7.707 0.000 0.000) 7.707 17.458 ( -13.303 0.000 0.000) 13.303 17.570 ( -5.462 0.000 0.000) 5.462 17.824 ( -12.878 0.000 0.000) 12.878 18.046 ( -9.194 0.000 0.000) 9.194 18.110 ( -2.079 0.000 0.000) 2.079 18.337 ( -4.527 0.000 0.000) 4.527 18.445 ( 0.078 -0.000 -0.000) 0.078 19.359 ( 19.560 -0.000 -0.000) 19.560 19.475 ( 16.769 -0.000 -0.000) 16.769 20.456 ( 4.535 -0.000 -0.000) 4.535 21.967 ( 2.847 -0.000 -0.000) 2.847 22.165 ( 0.770 -0.000 -0.000) 0.770 22.515 ( 14.882 -0.000 -0.000) 14.882 22.985 ( -24.301 0.000 0.000) 24.301 24.663 ( -8.754 0.000 0.000) 8.754 25.409 ( -0.894 0.000 0.000) 0.894 25.648 ( 1.251 -0.000 -0.000) 1.251 25.724 ( -3.302 0.000 0.000) 3.302 25.760 ( -2.975 0.000 0.000) 2.975 ======================= Grid point 195 (83/84) ======================= q-point: ( 0.45 0.55 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( 6.413 -0.000 -0.000) 6.413 2.246 ( 7.955 -0.000 -0.000) 7.955 2.625 ( 8.841 -0.000 -0.000) 8.841 2.839 ( 7.924 -0.000 -0.000) 7.924 2.867 ( 7.038 -0.000 -0.000) 7.038 2.932 ( -6.170 0.000 0.000) 6.170 3.531 ( 19.046 -0.000 -0.000) 19.046 3.862 ( 3.993 -0.000 -0.000) 3.993 4.085 ( -0.932 0.000 0.000) 0.932 4.090 ( -2.729 0.000 0.000) 2.729 4.530 ( -5.027 0.000 0.000) 5.027 4.960 ( -5.002 0.000 0.000) 5.002 5.820 ( 6.346 -0.000 -0.000) 6.346 6.117 ( 19.874 -0.000 -0.000) 19.874 7.062 ( 17.141 -0.000 -0.000) 17.141 7.185 ( -3.275 0.000 0.000) 3.275 7.415 ( 6.418 -0.000 -0.000) 6.418 7.538 ( -6.319 0.000 0.000) 6.319 7.565 ( 5.260 -0.000 -0.000) 5.260 7.644 ( 18.778 -0.000 -0.000) 18.778 8.027 ( 2.016 -0.000 -0.000) 2.016 8.140 ( 9.451 -0.000 -0.000) 9.451 8.338 ( -6.924 0.000 0.000) 6.924 8.421 ( 13.639 -0.000 -0.000) 13.639 8.843 ( 1.640 -0.000 -0.000) 1.640 9.198 ( 3.511 -0.000 -0.000) 3.511 9.241 ( -4.197 0.000 0.000) 4.197 9.798 ( -10.853 0.000 0.000) 10.853 9.809 ( 18.407 -0.000 -0.000) 18.407 9.909 ( 4.205 -0.000 -0.000) 4.205 9.910 ( -3.003 0.000 0.000) 3.003 9.988 ( -0.016 0.000 0.000) 0.016 10.230 ( 0.399 -0.000 -0.000) 0.399 10.267 ( -11.273 0.000 0.000) 11.273 10.479 ( -5.135 0.000 0.000) 5.135 10.480 ( -7.987 0.000 0.000) 7.987 11.092 ( -9.872 0.000 0.000) 9.872 11.146 ( 10.057 -0.000 -0.000) 10.057 11.159 ( -1.883 0.000 0.000) 1.883 11.161 ( -2.722 0.000 0.000) 2.722 11.163 ( 3.562 -0.000 -0.000) 3.562 11.465 ( -1.984 0.000 0.000) 1.984 11.568 ( 6.296 -0.000 -0.000) 6.296 11.575 ( -5.349 0.000 0.000) 5.349 11.588 ( 4.271 -0.000 -0.000) 4.271 11.684 ( 4.133 -0.000 -0.000) 4.133 12.006 ( 2.432 -0.000 -0.000) 2.432 12.060 ( 3.470 -0.000 -0.000) 3.470 12.113 ( 13.333 -0.000 -0.000) 13.333 12.293 ( -3.566 0.000 0.000) 3.566 12.345 ( 2.964 -0.000 -0.000) 2.964 12.542 ( 3.066 -0.000 -0.000) 3.066 12.831 ( 2.403 -0.000 -0.000) 2.403 13.150 ( -1.839 0.000 0.000) 1.839 13.373 ( 8.368 -0.000 -0.000) 8.368 13.587 ( -9.662 0.000 0.000) 9.662 13.623 ( -0.347 0.000 0.000) 0.347 13.661 ( -8.255 0.000 0.000) 8.255 13.831 ( -9.827 0.000 0.000) 9.827 13.937 ( 0.565 -0.000 -0.000) 0.565 14.210 ( 2.320 -0.000 -0.000) 2.320 14.379 ( -6.220 0.000 0.000) 6.220 14.385 ( -3.277 0.000 0.000) 3.277 14.655 ( 7.916 -0.000 -0.000) 7.916 14.689 ( -5.088 0.000 0.000) 5.088 15.090 ( 7.844 -0.000 -0.000) 7.844 15.456 ( 0.015 -0.000 -0.000) 0.015 15.753 ( 2.960 -0.000 -0.000) 2.960 16.055 ( -2.369 0.000 0.000) 2.369 16.142 ( -8.053 0.000 0.000) 8.053 16.301 ( -0.869 0.000 0.000) 0.869 16.347 ( -12.096 0.000 0.000) 12.096 16.404 ( -3.214 0.000 0.000) 3.214 16.479 ( -4.361 0.000 0.000) 4.361 16.675 ( 5.576 -0.000 -0.000) 5.576 17.122 ( -8.089 0.000 0.000) 8.089 17.257 ( -5.537 0.000 0.000) 5.537 17.658 ( -2.958 0.000 0.000) 2.958 17.774 ( -17.261 0.000 0.000) 17.261 18.139 ( -0.493 0.000 0.000) 0.493 18.147 ( -17.363 0.000 0.000) 17.363 18.198 ( -5.279 0.000 0.000) 5.279 18.418 ( -3.478 0.000 0.000) 3.478 18.438 ( 0.503 -0.000 -0.000) 0.503 18.921 ( 22.297 -0.000 -0.000) 22.297 19.134 ( 16.143 -0.000 -0.000) 16.143 20.383 ( 2.499 -0.000 -0.000) 2.499 21.919 ( 1.676 -0.000 -0.000) 1.676 22.151 ( 0.498 -0.000 -0.000) 0.498 22.274 ( 8.251 -0.000 -0.000) 8.251 23.419 ( -16.792 0.000 0.000) 16.792 24.758 ( -1.025 0.000 0.000) 1.025 25.431 ( -0.993 0.000 0.000) 0.993 25.630 ( 0.517 -0.000 -0.000) 0.517 25.789 ( -2.692 0.000 0.000) 2.692 25.824 ( -2.920 0.000 0.000) 2.920 ======================= Grid point 217 (84/84) ======================= q-point: ( 0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( -0.000 -0.000 0.000) 0.000 2.162 ( 0.000 -0.000 0.000) 0.000 2.529 ( 0.000 -0.000 0.000) 0.000 2.756 ( 0.000 -0.000 0.000) 0.000 2.793 ( 0.000 -0.000 0.000) 0.000 3.061 ( 0.000 -0.000 0.000) 0.000 3.253 ( 0.000 -0.000 0.000) 0.000 3.822 ( 0.000 -0.000 0.000) 0.000 4.110 ( -0.000 -0.000 0.000) 0.000 4.116 ( 0.000 -0.000 0.000) 0.000 4.583 ( 0.000 -0.000 0.000) 0.000 5.012 ( 0.000 0.000 0.000) 0.000 5.752 ( 0.000 0.000 0.000) 0.000 5.897 ( 0.000 -0.000 0.000) 0.000 6.886 ( 0.000 0.000 0.000) 0.000 7.218 ( 0.000 -0.000 0.000) 0.000 7.384 ( 0.000 -0.000 0.000) 0.000 7.403 ( 0.000 -0.000 0.000) 0.000 7.510 ( 0.000 0.000 0.000) 0.000 7.611 ( 0.000 -0.000 0.000) 0.000 8.001 ( 0.000 0.000 0.000) 0.000 8.037 ( 0.000 -0.000 0.000) 0.000 8.289 ( 0.000 -0.000 0.000) 0.000 8.422 ( 0.000 -0.000 0.000) 0.000 8.825 ( 0.000 -0.000 0.000) 0.000 9.147 ( 0.000 -0.000 0.000) 0.000 9.350 ( 0.000 0.000 0.000) 0.000 9.559 ( 0.000 -0.000 0.000) 0.000 9.863 ( 0.000 -0.000 0.000) 0.000 9.915 ( 0.000 0.000 0.000) 0.000 9.920 ( 0.000 -0.000 0.000) 0.000 10.005 ( 0.000 -0.000 0.000) 0.000 10.229 ( 0.000 -0.000 0.000) 0.000 10.393 ( 0.000 -0.000 0.000) 0.000 10.553 ( 0.000 -0.000 0.000) 0.000 10.554 ( 0.000 0.000 0.000) 0.000 11.039 ( 0.000 -0.000 0.000) 0.000 11.103 ( 0.000 0.000 0.000) 0.000 11.177 ( 0.000 -0.000 0.000) 0.000 11.200 ( 0.000 -0.000 0.000) 0.000 11.204 ( 0.000 -0.000 0.000) 0.000 11.476 ( 0.000 -0.000 0.000) 0.000 11.535 ( 0.000 -0.000 0.000) 0.000 11.548 ( 0.000 -0.000 0.000) 0.000 11.639 ( -0.000 -0.000 0.000) 0.000 11.649 ( 0.000 -0.000 0.000) 0.000 11.907 ( 0.000 -0.000 0.000) 0.000 11.978 ( -0.000 -0.000 0.000) 0.000 12.023 ( 0.000 -0.000 0.000) 0.000 12.314 ( 0.000 -0.000 0.000) 0.000 12.335 ( 0.000 -0.000 0.000) 0.000 12.510 ( 0.000 0.000 0.000) 0.000 12.802 ( 0.000 -0.000 0.000) 0.000 13.215 ( 0.000 0.000 0.000) 0.000 13.241 ( 0.000 -0.000 0.000) 0.000 13.628 ( -0.000 0.000 0.000) 0.000 13.686 ( 0.000 -0.000 0.000) 0.000 13.730 ( 0.000 -0.000 0.000) 0.000 13.950 ( 0.000 0.000 0.000) 0.000 13.971 ( 0.000 -0.000 0.000) 0.000 14.167 ( 0.000 -0.000 0.000) 0.000 14.419 ( 0.000 0.000 0.000) 0.000 14.462 ( 0.000 -0.000 0.000) 0.000 14.557 ( 0.000 -0.000 0.000) 0.000 14.743 ( 0.000 -0.000 0.000) 0.000 14.981 ( 0.000 0.000 0.000) 0.000 15.456 ( 0.000 -0.000 0.000) 0.000 15.727 ( 0.000 -0.000 0.000) 0.000 16.069 ( 0.000 -0.000 0.000) 0.000 16.229 ( 0.000 0.000 0.000) 0.000 16.317 ( 0.000 -0.000 0.000) 0.000 16.438 ( 0.000 -0.000 0.000) 0.000 16.488 ( -0.000 -0.000 0.000) 0.000 16.516 ( 0.000 0.000 0.000) 0.000 16.610 ( 0.000 0.000 0.000) 0.000 17.204 ( 0.000 -0.000 0.000) 0.000 17.318 ( 0.000 -0.000 0.000) 0.000 17.688 ( 0.000 0.000 0.000) 0.000 18.069 ( 0.000 -0.000 0.000) 0.000 18.100 ( 0.000 0.000 0.000) 0.000 18.253 ( -0.000 0.000 0.000) 0.000 18.395 ( 0.000 -0.000 0.000) 0.000 18.431 ( 0.000 -0.000 0.000) 0.000 18.513 ( 0.000 -0.000 0.000) 0.000 18.555 ( 0.000 0.000 0.000) 0.000 18.907 ( 0.000 -0.000 0.000) 0.000 20.357 ( 0.000 -0.000 0.000) 0.000 21.902 ( 0.000 0.000 0.000) 0.000 22.146 ( 0.000 -0.000 0.000) 0.000 22.188 ( 0.000 -0.000 0.000) 0.000 23.606 ( 0.000 0.000 0.000) 0.000 24.755 ( 0.000 -0.000 0.000) 0.000 25.442 ( 0.000 -0.000 0.000) 0.000 25.625 ( 0.000 -0.000 0.000) 0.000 25.820 ( 0.000 -0.000 0.000) 0.000 25.858 ( 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 3/38400 10.0 7565.384 7236.369 12660.592 0.000 0.000 0.000 3/38400 20.0 1837.492 2185.264 2168.805 0.000 0.000 0.000 3/38400 30.0 795.125 949.038 830.615 0.000 0.000 0.000 3/38400 40.0 438.149 520.242 443.719 0.000 0.000 0.000 3/38400 50.0 258.032 302.696 260.159 0.000 0.000 0.000 3/38400 60.0 158.792 183.209 160.156 0.000 0.000 0.000 3/38400 70.0 102.713 116.540 103.637 0.000 0.000 0.000 3/38400 80.0 70.129 78.332 70.718 0.000 0.000 0.000 3/38400 90.0 50.451 55.528 50.773 0.000 0.000 0.000 3/38400 100.0 38.033 41.274 38.140 0.000 0.000 0.000 3/38400 110.0 29.846 31.948 29.781 0.000 0.000 0.000 3/38400 120.0 24.221 25.586 24.021 0.000 0.000 0.000 3/38400 130.0 20.213 21.079 19.906 0.000 0.000 0.000 3/38400 140.0 17.261 17.780 16.871 0.000 0.000 0.000 3/38400 150.0 15.026 15.295 14.570 0.000 0.000 0.000 3/38400 160.0 13.290 13.376 12.783 0.000 0.000 0.000 3/38400 170.0 11.912 11.861 11.366 0.000 0.000 0.000 3/38400 180.0 10.797 10.643 10.220 0.000 0.000 0.000 3/38400 190.0 9.880 9.646 9.279 0.000 0.000 0.000 3/38400 200.0 9.115 8.819 8.495 0.000 0.000 0.000 3/38400 210.0 8.467 8.123 7.833 0.000 0.000 0.000 3/38400 220.0 7.912 7.530 7.268 0.000 0.000 0.000 3/38400 230.0 7.431 7.021 6.780 0.000 0.000 0.000 3/38400 240.0 7.011 6.578 6.355 0.000 0.000 0.000 3/38400 250.0 6.641 6.191 5.982 0.000 0.000 0.000 3/38400 260.0 6.313 5.849 5.653 0.000 0.000 0.000 3/38400 270.0 6.019 5.545 5.359 0.000 0.000 0.000 3/38400 280.0 5.754 5.272 5.096 0.000 0.000 0.000 3/38400 290.0 5.514 5.028 4.859 0.000 0.000 0.000 3/38400 300.0 5.296 4.806 4.644 0.000 0.000 0.000 3/38400 310.0 5.096 4.605 4.448 0.000 0.000 0.000 3/38400 320.0 4.912 4.421 4.269 0.000 0.000 0.000 3/38400 330.0 4.743 4.252 4.105 0.000 0.000 0.000 3/38400 340.0 4.586 4.097 3.954 0.000 0.000 0.000 3/38400 350.0 4.440 3.953 3.814 0.000 0.000 0.000 3/38400 360.0 4.304 3.820 3.684 0.000 0.000 0.000 3/38400 370.0 4.177 3.696 3.564 0.000 0.000 0.000 3/38400 380.0 4.058 3.581 3.451 0.000 0.000 0.000 3/38400 390.0 3.946 3.473 3.346 0.000 0.000 0.000 3/38400 400.0 3.841 3.372 3.247 0.000 0.000 0.000 3/38400 410.0 3.741 3.277 3.155 0.000 0.000 0.000 3/38400 420.0 3.647 3.187 3.067 0.000 0.000 0.000 3/38400 430.0 3.558 3.103 2.985 0.000 0.000 0.000 3/38400 440.0 3.473 3.023 2.907 0.000 0.000 0.000 3/38400 450.0 3.393 2.948 2.834 0.000 0.000 0.000 3/38400 460.0 3.316 2.876 2.764 0.000 0.000 0.000 3/38400 470.0 3.244 2.808 2.698 0.000 0.000 0.000 3/38400 480.0 3.174 2.744 2.635 0.000 0.000 0.000 3/38400 490.0 3.107 2.682 2.575 0.000 0.000 0.000 3/38400 500.0 3.044 2.623 2.518 0.000 0.000 0.000 3/38400 510.0 2.983 2.567 2.463 0.000 0.000 0.000 3/38400 520.0 2.924 2.514 2.411 0.000 0.000 0.000 3/38400 530.0 2.868 2.462 2.361 0.000 0.000 0.000 3/38400 540.0 2.814 2.413 2.314 0.000 0.000 0.000 3/38400 550.0 2.762 2.366 2.268 0.000 0.000 0.000 3/38400 560.0 2.712 2.321 2.224 0.000 0.000 0.000 3/38400 570.0 2.664 2.277 2.182 0.000 0.000 0.000 3/38400 580.0 2.618 2.235 2.141 0.000 0.000 0.000 3/38400 590.0 2.573 2.195 2.102 0.000 0.000 0.000 3/38400 600.0 2.530 2.156 2.064 0.000 0.000 0.000 3/38400 610.0 2.488 2.119 2.028 0.000 0.000 0.000 3/38400 620.0 2.448 2.083 1.993 0.000 0.000 0.000 3/38400 630.0 2.408 2.048 1.960 0.000 0.000 0.000 3/38400 640.0 2.371 2.014 1.927 0.000 0.000 0.000 3/38400 650.0 2.334 1.982 1.896 0.000 0.000 0.000 3/38400 660.0 2.299 1.950 1.865 0.000 0.000 0.000 3/38400 670.0 2.264 1.920 1.836 0.000 0.000 0.000 3/38400 680.0 2.231 1.890 1.807 0.000 0.000 0.000 3/38400 690.0 2.199 1.862 1.780 0.000 0.000 0.000 3/38400 700.0 2.167 1.834 1.753 0.000 0.000 0.000 3/38400 710.0 2.137 1.807 1.727 0.000 0.000 0.000 3/38400 720.0 2.107 1.781 1.702 0.000 0.000 0.000 3/38400 730.0 2.078 1.756 1.677 0.000 0.000 0.000 3/38400 740.0 2.050 1.731 1.654 0.000 0.000 0.000 3/38400 750.0 2.023 1.708 1.631 0.000 0.000 0.000 3/38400 760.0 1.996 1.684 1.608 0.000 0.000 0.000 3/38400 770.0 1.971 1.662 1.587 0.000 0.000 0.000 3/38400 780.0 1.945 1.640 1.565 0.000 0.000 0.000 3/38400 790.0 1.921 1.618 1.545 0.000 0.000 0.000 3/38400 800.0 1.897 1.598 1.525 0.000 0.000 0.000 3/38400 810.0 1.874 1.577 1.505 0.000 0.000 0.000 3/38400 820.0 1.851 1.557 1.486 0.000 0.000 0.000 3/38400 830.0 1.829 1.538 1.468 0.000 0.000 0.000 3/38400 840.0 1.807 1.519 1.450 0.000 0.000 0.000 3/38400 850.0 1.786 1.501 1.432 0.000 0.000 0.000 3/38400 860.0 1.765 1.483 1.415 0.000 0.000 0.000 3/38400 870.0 1.745 1.466 1.398 0.000 0.000 0.000 3/38400 880.0 1.725 1.449 1.382 0.000 0.000 0.000 3/38400 890.0 1.706 1.432 1.366 0.000 0.000 0.000 3/38400 900.0 1.687 1.416 1.350 0.000 0.000 0.000 3/38400 910.0 1.669 1.400 1.335 0.000 0.000 0.000 3/38400 920.0 1.651 1.384 1.320 0.000 0.000 0.000 3/38400 930.0 1.633 1.369 1.305 0.000 0.000 0.000 3/38400 940.0 1.616 1.354 1.291 0.000 0.000 0.000 3/38400 950.0 1.599 1.340 1.277 0.000 0.000 0.000 3/38400 960.0 1.582 1.326 1.264 0.000 0.000 0.000 3/38400 970.0 1.566 1.312 1.250 0.000 0.000 0.000 3/38400 980.0 1.550 1.298 1.237 0.000 0.000 0.000 3/38400 990.0 1.535 1.285 1.224 0.000 0.000 0.000 3/38400 1000.0 1.519 1.272 1.212 0.000 0.000 0.000 3/38400 Thermal conductivity related properties were written into "kappa-m11040.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:47:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|