----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 22:57:04]------------------------- 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 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.007789930434441 0.000000000000000 0.000000000000000 b 0.000000000000000 7.598595750000000 0.000000000000000 c -5.491280210417012 0.000000000000000 10.394098569178372 Atomic positions (fractional): *1 Ba 0.53285952491591 0.00101318333778 0.30333548270911 137.327 *2 Ba 0.81689665866736 0.15619377975326 0.07843647802796 137.327 3 Ba 0.81689665866736 0.34380622024674 0.57843647802796 137.327 4 Ba 0.53285952491591 0.49898681666222 0.80333548270911 137.327 5 Ba 0.46714047508409 0.50101318333778 0.19666451729089 137.327 6 Ba 0.18310334133264 0.65619377975326 0.42156352197204 137.327 7 Ba 0.18310334133264 0.84380622024674 0.92156352197204 137.327 8 Ba 0.46714047508409 0.99898681666222 0.69666451729089 137.327 *9 Ge 0.16370543841665 0.22079539374902 0.41942930075087 72.640 10 Ge 0.16370543841665 0.27920460625098 0.91942930075088 72.640 11 Ge 0.83629456158335 0.72079539374902 0.08057069924912 72.640 12 Ge 0.83629456158335 0.77920460625098 0.58057069924912 72.640 *13 O 0.79416186060140 0.00823288119849 0.57259135389449 15.999 *14 O 0.35653795852539 0.17747247063487 0.86098837264190 15.999 *15 O 0.26530549984638 0.18142906094543 0.07413008538835 15.999 *16 O 0.84389024401553 0.22491207921739 0.82326241256312 15.999 17 O 0.84389024401553 0.27508792078261 0.32326241256312 15.999 18 O 0.26530549984638 0.31857093905457 0.57413008538835 15.999 19 O 0.35653795852539 0.32252752936513 0.36098837264190 15.999 20 O 0.79416186060140 0.49176711880151 0.07259135389449 15.999 21 O 0.20583813939860 0.50823288119849 0.92740864610551 15.999 22 O 0.64346204147461 0.67747247063487 0.63901162735810 15.999 23 O 0.73469450015362 0.68142906094543 0.42586991461165 15.999 24 O 0.15610975598447 0.72491207921739 0.67673758743688 15.999 25 O 0.15610975598447 0.77508792078261 0.17673758743688 15.999 26 O 0.73469450015362 0.81857093905457 0.92586991461165 15.999 27 O 0.64346204147461 0.82252752936513 0.13901162735810 15.999 28 O 0.20583813939860 0.99176711880151 0.42740864610551 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.007789930434441 0.000000000000000 0.000000000000000 b 0.000000000000000 7.598595750000000 0.000000000000000 c -5.491280210417012 0.000000000000000 10.394098569178372 Atomic positions (fractional): *1 Ba 0.53285952491591 0.00101318333778 0.30333548270911 137.327 > 1 *2 Ba 0.81689665866736 0.15619377975326 0.07843647802796 137.327 > 2 3 Ba 0.81689665866736 0.34380622024674 0.57843647802796 137.327 > 3 4 Ba 0.53285952491591 0.49898681666222 0.80333548270911 137.327 > 4 5 Ba 0.46714047508409 0.50101318333778 0.19666451729089 137.327 > 5 6 Ba 0.18310334133264 0.65619377975326 0.42156352197204 137.327 > 6 7 Ba 0.18310334133264 0.84380622024674 0.92156352197204 137.327 > 7 8 Ba 0.46714047508409 0.99898681666222 0.69666451729089 137.327 > 8 *9 Ge 0.16370543841665 0.22079539374902 0.41942930075087 72.640 > 9 10 Ge 0.16370543841665 0.27920460625098 0.91942930075088 72.640 > 10 11 Ge 0.83629456158335 0.72079539374902 0.08057069924912 72.640 > 11 12 Ge 0.83629456158335 0.77920460625098 0.58057069924912 72.640 > 12 *13 O 0.79416186060140 0.00823288119849 0.57259135389449 15.999 > 13 *14 O 0.35653795852539 0.17747247063487 0.86098837264190 15.999 > 14 *15 O 0.26530549984638 0.18142906094543 0.07413008538835 15.999 > 15 *16 O 0.84389024401553 0.22491207921739 0.82326241256312 15.999 > 16 17 O 0.84389024401553 0.27508792078261 0.32326241256312 15.999 > 17 18 O 0.26530549984638 0.31857093905457 0.57413008538835 15.999 > 18 19 O 0.35653795852539 0.32252752936513 0.36098837264190 15.999 > 19 20 O 0.79416186060140 0.49176711880151 0.07259135389449 15.999 > 20 21 O 0.20583813939860 0.50823288119849 0.92740864610551 15.999 > 21 22 O 0.64346204147461 0.67747247063487 0.63901162735810 15.999 > 22 23 O 0.73469450015362 0.68142906094543 0.42586991461165 15.999 > 23 24 O 0.15610975598447 0.72491207921739 0.67673758743688 15.999 > 24 25 O 0.15610975598447 0.77508792078261 0.17673758743688 15.999 > 25 26 O 0.73469450015362 0.81857093905457 0.92586991461165 15.999 > 26 27 O 0.64346204147461 0.82252752936513 0.13901162735810 15.999 > 27 28 O 0.20583813939860 0.99176711880151 0.42740864610551 15.999 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.015579860868883 0.000000000000000 0.000000000000000 b 0.000000000000000 15.197191500000001 0.000000000000000 c -5.491280210417012 0.000000000000000 10.394098569178372 Atomic positions (fractional): *1 Ba 0.26642976245796 0.00050659166889 0.30333548270911 137.327 > 1 2 Ba 0.76642976245796 0.00050659166889 0.30333548270911 137.327 > 1 3 Ba 0.26642976245796 0.50050659166889 0.30333548270911 137.327 > 1 4 Ba 0.76642976245796 0.50050659166889 0.30333548270911 137.327 > 1 *5 Ba 0.40844832933368 0.07809688987663 0.07843647802796 137.327 > 2 6 Ba 0.90844832933368 0.07809688987663 0.07843647802796 137.327 > 2 7 Ba 0.40844832933368 0.57809688987663 0.07843647802796 137.327 > 2 8 Ba 0.90844832933368 0.57809688987663 0.07843647802796 137.327 > 2 9 Ba 0.40844832933368 0.17190311012337 0.57843647802796 137.327 > 3 10 Ba 0.90844832933368 0.17190311012337 0.57843647802796 137.327 > 3 11 Ba 0.40844832933368 0.67190311012337 0.57843647802796 137.327 > 3 12 Ba 0.90844832933368 0.67190311012337 0.57843647802796 137.327 > 3 13 Ba 0.26642976245796 0.24949340833111 0.80333548270911 137.327 > 4 14 Ba 0.76642976245796 0.24949340833111 0.80333548270911 137.327 > 4 15 Ba 0.26642976245796 0.74949340833111 0.80333548270911 137.327 > 4 16 Ba 0.76642976245796 0.74949340833111 0.80333548270911 137.327 > 4 17 Ba 0.23357023754204 0.25050659166889 0.19666451729089 137.327 > 5 18 Ba 0.73357023754204 0.25050659166889 0.19666451729089 137.327 > 5 19 Ba 0.23357023754204 0.75050659166889 0.19666451729089 137.327 > 5 20 Ba 0.73357023754204 0.75050659166889 0.19666451729089 137.327 > 5 21 Ba 0.09155167066632 0.32809688987663 0.42156352197204 137.327 > 6 22 Ba 0.59155167066632 0.32809688987663 0.42156352197204 137.327 > 6 23 Ba 0.09155167066632 0.82809688987663 0.42156352197204 137.327 > 6 24 Ba 0.59155167066632 0.82809688987663 0.42156352197204 137.327 > 6 25 Ba 0.09155167066632 0.42190311012337 0.92156352197204 137.327 > 7 26 Ba 0.59155167066632 0.42190311012337 0.92156352197204 137.327 > 7 27 Ba 0.09155167066632 0.92190311012337 0.92156352197204 137.327 > 7 28 Ba 0.59155167066632 0.92190311012337 0.92156352197204 137.327 > 7 29 Ba 0.23357023754204 0.49949340833111 0.69666451729089 137.327 > 8 30 Ba 0.73357023754204 0.49949340833111 0.69666451729089 137.327 > 8 31 Ba 0.23357023754204 0.99949340833111 0.69666451729089 137.327 > 8 32 Ba 0.73357023754204 0.99949340833111 0.69666451729089 137.327 > 8 *33 Ge 0.08185271920832 0.11039769687451 0.41942930075087 72.640 > 9 34 Ge 0.58185271920832 0.11039769687451 0.41942930075087 72.640 > 9 35 Ge 0.08185271920832 0.61039769687451 0.41942930075087 72.640 > 9 36 Ge 0.58185271920832 0.61039769687451 0.41942930075087 72.640 > 9 37 Ge 0.08185271920832 0.13960230312549 0.91942930075088 72.640 > 10 38 Ge 0.58185271920832 0.13960230312549 0.91942930075088 72.640 > 10 39 Ge 0.08185271920832 0.63960230312549 0.91942930075088 72.640 > 10 40 Ge 0.58185271920832 0.63960230312549 0.91942930075088 72.640 > 10 41 Ge 0.41814728079168 0.36039769687451 0.08057069924912 72.640 > 11 42 Ge 0.91814728079168 0.36039769687451 0.08057069924912 72.640 > 11 43 Ge 0.41814728079168 0.86039769687451 0.08057069924912 72.640 > 11 44 Ge 0.91814728079168 0.86039769687451 0.08057069924912 72.640 > 11 45 Ge 0.41814728079168 0.38960230312549 0.58057069924912 72.640 > 12 46 Ge 0.91814728079168 0.38960230312549 0.58057069924912 72.640 > 12 47 Ge 0.41814728079168 0.88960230312549 0.58057069924912 72.640 > 12 48 Ge 0.91814728079168 0.88960230312549 0.58057069924912 72.640 > 12 *49 O 0.39708093030070 0.00411644059924 0.57259135389449 15.999 > 13 50 O 0.89708093030070 0.00411644059924 0.57259135389449 15.999 > 13 51 O 0.39708093030070 0.50411644059924 0.57259135389449 15.999 > 13 52 O 0.89708093030070 0.50411644059924 0.57259135389449 15.999 > 13 *53 O 0.17826897926269 0.08873623531744 0.86098837264190 15.999 > 14 54 O 0.67826897926270 0.08873623531744 0.86098837264190 15.999 > 14 55 O 0.17826897926269 0.58873623531744 0.86098837264190 15.999 > 14 56 O 0.67826897926270 0.58873623531744 0.86098837264190 15.999 > 14 *57 O 0.13265274992319 0.09071453047271 0.07413008538835 15.999 > 15 58 O 0.63265274992319 0.09071453047271 0.07413008538835 15.999 > 15 59 O 0.13265274992319 0.59071453047271 0.07413008538835 15.999 > 15 60 O 0.63265274992319 0.59071453047271 0.07413008538835 15.999 > 15 *61 O 0.42194512200776 0.11245603960870 0.82326241256312 15.999 > 16 62 O 0.92194512200776 0.11245603960870 0.82326241256312 15.999 > 16 63 O 0.42194512200776 0.61245603960870 0.82326241256312 15.999 > 16 64 O 0.92194512200776 0.61245603960870 0.82326241256312 15.999 > 16 65 O 0.42194512200776 0.13754396039130 0.32326241256312 15.999 > 17 66 O 0.92194512200776 0.13754396039130 0.32326241256312 15.999 > 17 67 O 0.42194512200776 0.63754396039130 0.32326241256312 15.999 > 17 68 O 0.92194512200776 0.63754396039130 0.32326241256312 15.999 > 17 69 O 0.13265274992319 0.15928546952729 0.57413008538835 15.999 > 18 70 O 0.63265274992319 0.15928546952729 0.57413008538835 15.999 > 18 71 O 0.13265274992319 0.65928546952729 0.57413008538835 15.999 > 18 72 O 0.63265274992319 0.65928546952729 0.57413008538835 15.999 > 18 73 O 0.17826897926269 0.16126376468256 0.36098837264190 15.999 > 19 74 O 0.67826897926270 0.16126376468256 0.36098837264190 15.999 > 19 75 O 0.17826897926269 0.66126376468256 0.36098837264190 15.999 > 19 76 O 0.67826897926270 0.66126376468256 0.36098837264190 15.999 > 19 77 O 0.39708093030070 0.24588355940076 0.07259135389449 15.999 > 20 78 O 0.89708093030070 0.24588355940076 0.07259135389449 15.999 > 20 79 O 0.39708093030070 0.74588355940076 0.07259135389449 15.999 > 20 80 O 0.89708093030070 0.74588355940076 0.07259135389449 15.999 > 20 81 O 0.10291906969930 0.25411644059924 0.92740864610551 15.999 > 21 82 O 0.60291906969930 0.25411644059924 0.92740864610551 15.999 > 21 83 O 0.10291906969930 0.75411644059924 0.92740864610551 15.999 > 21 84 O 0.60291906969930 0.75411644059924 0.92740864610551 15.999 > 21 85 O 0.32173102073730 0.33873623531744 0.63901162735810 15.999 > 22 86 O 0.82173102073730 0.33873623531744 0.63901162735810 15.999 > 22 87 O 0.32173102073730 0.83873623531744 0.63901162735810 15.999 > 22 88 O 0.82173102073730 0.83873623531744 0.63901162735810 15.999 > 22 89 O 0.36734725007681 0.34071453047271 0.42586991461165 15.999 > 23 90 O 0.86734725007681 0.34071453047271 0.42586991461165 15.999 > 23 91 O 0.36734725007681 0.84071453047271 0.42586991461165 15.999 > 23 92 O 0.86734725007681 0.84071453047271 0.42586991461165 15.999 > 23 93 O 0.07805487799224 0.36245603960870 0.67673758743688 15.999 > 24 94 O 0.57805487799224 0.36245603960870 0.67673758743688 15.999 > 24 95 O 0.07805487799224 0.86245603960870 0.67673758743688 15.999 > 24 96 O 0.57805487799224 0.86245603960870 0.67673758743688 15.999 > 24 97 O 0.07805487799224 0.38754396039130 0.17673758743688 15.999 > 25 98 O 0.57805487799224 0.38754396039130 0.17673758743688 15.999 > 25 99 O 0.07805487799224 0.88754396039130 0.17673758743688 15.999 > 25 100 O 0.57805487799224 0.88754396039130 0.17673758743688 15.999 > 25 101 O 0.36734725007681 0.40928546952729 0.92586991461165 15.999 > 26 102 O 0.86734725007681 0.40928546952729 0.92586991461165 15.999 > 26 103 O 0.36734725007681 0.90928546952729 0.92586991461165 15.999 > 26 104 O 0.86734725007681 0.90928546952729 0.92586991461165 15.999 > 26 105 O 0.32173102073730 0.41126376468256 0.13901162735810 15.999 > 27 106 O 0.82173102073730 0.41126376468256 0.13901162735810 15.999 > 27 107 O 0.32173102073730 0.91126376468256 0.13901162735810 15.999 > 27 108 O 0.82173102073730 0.91126376468256 0.13901162735810 15.999 > 27 109 O 0.10291906969930 0.49588355940076 0.42740864610551 15.999 > 28 110 O 0.60291906969930 0.49588355940076 0.42740864610551 15.999 > 28 111 O 0.10291906969930 0.99588355940076 0.42740864610551 15.999 > 28 112 O 0.60291906969930 0.99588355940076 0.42740864610551 15.999 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7107739 0.0000000 0.0232876 0.0000000 3.8510837 0.0000000 0.0232481 0.0000000 3.6746215 -------------------------- Born effective charges -------------------------- 1 Ba 2.6230434 0.0684093 -0.0750683 -0.0018216 2.7400442 0.0715785 -0.0157246 0.1387855 2.8996408 2 Ba 2.6828947 0.0605894 0.0601225 0.0375103 3.0597072 0.0219818 0.0031957 0.0637626 2.4774467 3 Ba 2.6828947 -0.0605894 0.0601225 -0.0375103 3.0597072 -0.0219818 0.0031957 -0.0637626 2.4774467 4 Ba 2.6230434 -0.0684093 -0.0750683 0.0018216 2.7400442 -0.0715785 -0.0157246 -0.1387855 2.8996408 5 Ba 2.6230434 -0.0684093 -0.0750683 0.0018216 2.7400442 -0.0715785 -0.0157246 -0.1387855 2.8996408 6 Ba 2.6828947 -0.0605894 0.0601225 -0.0375103 3.0597072 -0.0219818 0.0031957 -0.0637626 2.4774467 7 Ba 2.6828947 0.0605894 0.0601225 0.0375103 3.0597072 0.0219818 0.0031957 0.0637626 2.4774467 8 Ba 2.6230434 0.0684093 -0.0750683 -0.0018216 2.7400442 0.0715785 -0.0157246 0.1387855 2.8996408 9 Ge 3.0630392 -0.0210992 0.0495432 -0.0322447 3.0411065 -0.0133560 0.0989551 0.0012040 2.7322024 10 Ge 3.0630392 0.0210992 0.0495432 0.0322447 3.0411065 0.0133560 0.0989551 -0.0012040 2.7322024 11 Ge 3.0630392 0.0210992 0.0495432 0.0322447 3.0411065 0.0133560 0.0989551 -0.0012040 2.7322024 12 Ge 3.0630392 -0.0210992 0.0495432 -0.0322447 3.0411065 -0.0133560 0.0989551 0.0012040 2.7322024 13 O -1.6176428 0.1167341 0.0502658 0.1083404 -2.9187699 0.0860110 0.0686022 0.0850609 -1.7314204 14 O -2.4247177 0.2780749 0.2551568 0.2260617 -2.0743102 -0.1393780 0.2731649 -0.1089024 -1.8523869 15 O -1.9598024 -0.1275544 0.0969251 -0.1089045 -2.0054742 0.2483574 0.0486555 0.2451710 -2.4316682 16 O -2.3668143 -0.1557077 -0.4369451 -0.1194976 -1.8423037 -0.1438672 -0.4768488 -0.0620761 -2.0938144 17 O -2.3668143 0.1557077 -0.4369451 0.1194976 -1.8423037 0.1438672 -0.4768488 0.0620761 -2.0938144 18 O -1.9598024 0.1275544 0.0969251 0.1089045 -2.0054742 -0.2483574 0.0486555 -0.2451710 -2.4316682 19 O -2.4247177 -0.2780749 0.2551568 -0.2260617 -2.0743102 0.1393780 0.2731649 0.1089024 -1.8523869 20 O -1.6176428 -0.1167341 0.0502658 -0.1083404 -2.9187699 -0.0860110 0.0686022 -0.0850609 -1.7314204 21 O -1.6176428 -0.1167341 0.0502658 -0.1083404 -2.9187699 -0.0860110 0.0686022 -0.0850609 -1.7314204 22 O -2.4247177 -0.2780749 0.2551568 -0.2260617 -2.0743102 0.1393780 0.2731649 0.1089024 -1.8523869 23 O -1.9598024 0.1275544 0.0969251 0.1089045 -2.0054742 -0.2483574 0.0486555 -0.2451710 -2.4316682 24 O -2.3668143 0.1557077 -0.4369451 0.1194976 -1.8423037 0.1438672 -0.4768488 0.0620761 -2.0938144 25 O -2.3668143 -0.1557077 -0.4369451 -0.1194976 -1.8423037 -0.1438672 -0.4768488 -0.0620761 -2.0938144 26 O -1.9598024 -0.1275544 0.0969251 -0.1089045 -2.0054742 0.2483574 0.0486555 0.2451710 -2.4316682 27 O -2.4247177 0.2780749 0.2551568 0.2260617 -2.0743102 -0.1393780 0.2731649 -0.1089024 -1.8523869 28 O -1.6176428 0.1167341 0.0502658 0.1083404 -2.9187699 0.0860110 0.0686022 0.0850609 -1.7314204 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 880 - Time: 1.017 Solver_block: 200 / 880 - Time: 0.970 Solver_block: 300 / 880 - Time: 0.953 Solver_block: 400 / 880 - Time: 0.957 Solver_block: 500 / 880 - Time: 0.967 Solver_block: 600 / 880 - Time: 0.955 Solver_block: 700 / 880 - Time: 0.972 Solver_block: 800 / 880 - Time: 0.979 Solver_block: 880 / 880 - Time: 0.790 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 8.734 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) 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 22:57:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 22:57:51]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.007789930434441 0.000000000000000 0.000000000000000 b 0.000000000000000 7.598595750000000 0.000000000000000 c -5.491280210417012 0.000000000000000 10.394098569178372 Atomic positions (fractional): 1 Ba 0.53285952491591 0.00101318333778 0.30333548270911 137.327 2 Ba 0.81689665866736 0.15619377975326 0.07843647802796 137.327 3 Ba 0.81689665866736 0.34380622024674 0.57843647802796 137.327 4 Ba 0.53285952491591 0.49898681666222 0.80333548270911 137.327 5 Ba 0.46714047508409 0.50101318333778 0.19666451729089 137.327 6 Ba 0.18310334133264 0.65619377975326 0.42156352197204 137.327 7 Ba 0.18310334133264 0.84380622024674 0.92156352197204 137.327 8 Ba 0.46714047508409 0.99898681666222 0.69666451729089 137.327 9 Ge 0.16370543841665 0.22079539374902 0.41942930075087 72.640 10 Ge 0.16370543841665 0.27920460625098 0.91942930075088 72.640 11 Ge 0.83629456158335 0.72079539374902 0.08057069924912 72.640 12 Ge 0.83629456158335 0.77920460625098 0.58057069924912 72.640 13 O 0.79416186060140 0.00823288119849 0.57259135389449 15.999 14 O 0.35653795852539 0.17747247063487 0.86098837264190 15.999 15 O 0.26530549984638 0.18142906094543 0.07413008538835 15.999 16 O 0.84389024401553 0.22491207921739 0.82326241256312 15.999 17 O 0.84389024401553 0.27508792078261 0.32326241256312 15.999 18 O 0.26530549984638 0.31857093905457 0.57413008538835 15.999 19 O 0.35653795852539 0.32252752936513 0.36098837264190 15.999 20 O 0.79416186060140 0.49176711880151 0.07259135389449 15.999 21 O 0.20583813939860 0.50823288119849 0.92740864610551 15.999 22 O 0.64346204147461 0.67747247063487 0.63901162735810 15.999 23 O 0.73469450015362 0.68142906094543 0.42586991461165 15.999 24 O 0.15610975598447 0.72491207921739 0.67673758743688 15.999 25 O 0.15610975598447 0.77508792078261 0.17673758743688 15.999 26 O 0.73469450015362 0.81857093905457 0.92586991461165 15.999 27 O 0.64346204147461 0.82252752936513 0.13901162735810 15.999 28 O 0.20583813939860 0.99176711880151 0.42740864610551 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.015579860868883 0.000000000000000 0.000000000000000 b 0.000000000000000 15.197191500000001 0.000000000000000 c -5.491280210417012 0.000000000000000 10.394098569178372 Atomic positions (fractional): 1 Ba 0.26642976245796 0.00050659166889 0.30333548270911 137.327 > 1 2 Ba 0.76642976245796 0.00050659166889 0.30333548270911 137.327 > 1 3 Ba 0.26642976245796 0.50050659166889 0.30333548270911 137.327 > 1 4 Ba 0.76642976245796 0.50050659166889 0.30333548270911 137.327 > 1 5 Ba 0.40844832933368 0.07809688987663 0.07843647802796 137.327 > 5 6 Ba 0.90844832933368 0.07809688987663 0.07843647802796 137.327 > 5 7 Ba 0.40844832933368 0.57809688987663 0.07843647802796 137.327 > 5 8 Ba 0.90844832933368 0.57809688987663 0.07843647802796 137.327 > 5 9 Ba 0.40844832933368 0.17190311012337 0.57843647802796 137.327 > 9 10 Ba 0.90844832933368 0.17190311012337 0.57843647802796 137.327 > 9 11 Ba 0.40844832933368 0.67190311012337 0.57843647802796 137.327 > 9 12 Ba 0.90844832933368 0.67190311012337 0.57843647802796 137.327 > 9 13 Ba 0.26642976245796 0.24949340833111 0.80333548270911 137.327 > 13 14 Ba 0.76642976245796 0.24949340833111 0.80333548270911 137.327 > 13 15 Ba 0.26642976245796 0.74949340833111 0.80333548270911 137.327 > 13 16 Ba 0.76642976245796 0.74949340833111 0.80333548270911 137.327 > 13 17 Ba 0.23357023754204 0.25050659166889 0.19666451729089 137.327 > 17 18 Ba 0.73357023754204 0.25050659166889 0.19666451729089 137.327 > 17 19 Ba 0.23357023754204 0.75050659166889 0.19666451729089 137.327 > 17 20 Ba 0.73357023754204 0.75050659166889 0.19666451729089 137.327 > 17 21 Ba 0.09155167066632 0.32809688987663 0.42156352197204 137.327 > 21 22 Ba 0.59155167066632 0.32809688987663 0.42156352197204 137.327 > 21 23 Ba 0.09155167066632 0.82809688987663 0.42156352197204 137.327 > 21 24 Ba 0.59155167066632 0.82809688987663 0.42156352197204 137.327 > 21 25 Ba 0.09155167066632 0.42190311012337 0.92156352197204 137.327 > 25 26 Ba 0.59155167066632 0.42190311012337 0.92156352197204 137.327 > 25 27 Ba 0.09155167066632 0.92190311012337 0.92156352197204 137.327 > 25 28 Ba 0.59155167066632 0.92190311012337 0.92156352197204 137.327 > 25 29 Ba 0.23357023754204 0.49949340833111 0.69666451729089 137.327 > 29 30 Ba 0.73357023754204 0.49949340833111 0.69666451729089 137.327 > 29 31 Ba 0.23357023754204 0.99949340833111 0.69666451729089 137.327 > 29 32 Ba 0.73357023754204 0.99949340833111 0.69666451729089 137.327 > 29 33 Ge 0.08185271920832 0.11039769687451 0.41942930075087 72.640 > 33 34 Ge 0.58185271920832 0.11039769687451 0.41942930075087 72.640 > 33 35 Ge 0.08185271920832 0.61039769687451 0.41942930075087 72.640 > 33 36 Ge 0.58185271920832 0.61039769687451 0.41942930075087 72.640 > 33 37 Ge 0.08185271920832 0.13960230312549 0.91942930075088 72.640 > 37 38 Ge 0.58185271920832 0.13960230312549 0.91942930075088 72.640 > 37 39 Ge 0.08185271920832 0.63960230312549 0.91942930075088 72.640 > 37 40 Ge 0.58185271920832 0.63960230312549 0.91942930075088 72.640 > 37 41 Ge 0.41814728079168 0.36039769687451 0.08057069924912 72.640 > 41 42 Ge 0.91814728079168 0.36039769687451 0.08057069924912 72.640 > 41 43 Ge 0.41814728079168 0.86039769687451 0.08057069924912 72.640 > 41 44 Ge 0.91814728079168 0.86039769687451 0.08057069924912 72.640 > 41 45 Ge 0.41814728079168 0.38960230312549 0.58057069924912 72.640 > 45 46 Ge 0.91814728079168 0.38960230312549 0.58057069924912 72.640 > 45 47 Ge 0.41814728079168 0.88960230312549 0.58057069924912 72.640 > 45 48 Ge 0.91814728079168 0.88960230312549 0.58057069924912 72.640 > 45 49 O 0.39708093030070 0.00411644059924 0.57259135389449 15.999 > 49 50 O 0.89708093030070 0.00411644059924 0.57259135389449 15.999 > 49 51 O 0.39708093030070 0.50411644059924 0.57259135389449 15.999 > 49 52 O 0.89708093030070 0.50411644059924 0.57259135389449 15.999 > 49 53 O 0.17826897926269 0.08873623531744 0.86098837264190 15.999 > 53 54 O 0.67826897926270 0.08873623531744 0.86098837264190 15.999 > 53 55 O 0.17826897926269 0.58873623531744 0.86098837264190 15.999 > 53 56 O 0.67826897926270 0.58873623531744 0.86098837264190 15.999 > 53 57 O 0.13265274992319 0.09071453047271 0.07413008538835 15.999 > 57 58 O 0.63265274992319 0.09071453047271 0.07413008538835 15.999 > 57 59 O 0.13265274992319 0.59071453047271 0.07413008538835 15.999 > 57 60 O 0.63265274992319 0.59071453047271 0.07413008538835 15.999 > 57 61 O 0.42194512200776 0.11245603960870 0.82326241256312 15.999 > 61 62 O 0.92194512200776 0.11245603960870 0.82326241256312 15.999 > 61 63 O 0.42194512200776 0.61245603960870 0.82326241256312 15.999 > 61 64 O 0.92194512200776 0.61245603960870 0.82326241256312 15.999 > 61 65 O 0.42194512200776 0.13754396039130 0.32326241256312 15.999 > 65 66 O 0.92194512200776 0.13754396039130 0.32326241256312 15.999 > 65 67 O 0.42194512200776 0.63754396039130 0.32326241256312 15.999 > 65 68 O 0.92194512200776 0.63754396039130 0.32326241256312 15.999 > 65 69 O 0.13265274992319 0.15928546952729 0.57413008538835 15.999 > 69 70 O 0.63265274992319 0.15928546952729 0.57413008538835 15.999 > 69 71 O 0.13265274992319 0.65928546952729 0.57413008538835 15.999 > 69 72 O 0.63265274992319 0.65928546952729 0.57413008538835 15.999 > 69 73 O 0.17826897926269 0.16126376468256 0.36098837264190 15.999 > 73 74 O 0.67826897926270 0.16126376468256 0.36098837264190 15.999 > 73 75 O 0.17826897926269 0.66126376468256 0.36098837264190 15.999 > 73 76 O 0.67826897926270 0.66126376468256 0.36098837264190 15.999 > 73 77 O 0.39708093030070 0.24588355940076 0.07259135389449 15.999 > 77 78 O 0.89708093030070 0.24588355940076 0.07259135389449 15.999 > 77 79 O 0.39708093030070 0.74588355940076 0.07259135389449 15.999 > 77 80 O 0.89708093030070 0.74588355940076 0.07259135389449 15.999 > 77 81 O 0.10291906969930 0.25411644059924 0.92740864610551 15.999 > 81 82 O 0.60291906969930 0.25411644059924 0.92740864610551 15.999 > 81 83 O 0.10291906969930 0.75411644059924 0.92740864610551 15.999 > 81 84 O 0.60291906969930 0.75411644059924 0.92740864610551 15.999 > 81 85 O 0.32173102073730 0.33873623531744 0.63901162735810 15.999 > 85 86 O 0.82173102073730 0.33873623531744 0.63901162735810 15.999 > 85 87 O 0.32173102073730 0.83873623531744 0.63901162735810 15.999 > 85 88 O 0.82173102073730 0.83873623531744 0.63901162735810 15.999 > 85 89 O 0.36734725007681 0.34071453047271 0.42586991461165 15.999 > 89 90 O 0.86734725007681 0.34071453047271 0.42586991461165 15.999 > 89 91 O 0.36734725007681 0.84071453047271 0.42586991461165 15.999 > 89 92 O 0.86734725007681 0.84071453047271 0.42586991461165 15.999 > 89 93 O 0.07805487799224 0.36245603960870 0.67673758743688 15.999 > 93 94 O 0.57805487799224 0.36245603960870 0.67673758743688 15.999 > 93 95 O 0.07805487799224 0.86245603960870 0.67673758743688 15.999 > 93 96 O 0.57805487799224 0.86245603960870 0.67673758743688 15.999 > 93 97 O 0.07805487799224 0.38754396039130 0.17673758743688 15.999 > 97 98 O 0.57805487799224 0.38754396039130 0.17673758743688 15.999 > 97 99 O 0.07805487799224 0.88754396039130 0.17673758743688 15.999 > 97 100 O 0.57805487799224 0.88754396039130 0.17673758743688 15.999 > 97 101 O 0.36734725007681 0.40928546952729 0.92586991461165 15.999 > 101 102 O 0.86734725007681 0.40928546952729 0.92586991461165 15.999 > 101 103 O 0.36734725007681 0.90928546952729 0.92586991461165 15.999 > 101 104 O 0.86734725007681 0.90928546952729 0.92586991461165 15.999 > 101 105 O 0.32173102073730 0.41126376468256 0.13901162735810 15.999 > 105 106 O 0.82173102073730 0.41126376468256 0.13901162735810 15.999 > 105 107 O 0.32173102073730 0.91126376468256 0.13901162735810 15.999 > 105 108 O 0.82173102073730 0.91126376468256 0.13901162735810 15.999 > 105 109 O 0.10291906969930 0.49588355940076 0.42740864610551 15.999 > 109 110 O 0.60291906969930 0.49588355940076 0.42740864610551 15.999 > 109 111 O 0.10291906969930 0.99588355940076 0.42740864610551 15.999 > 109 112 O 0.60291906969930 0.99588355940076 0.42740864610551 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7107739 0.0000000 0.0232876 0.0000000 3.8510837 0.0000000 0.0232481 0.0000000 3.6746215 -------------------------- Born effective charges -------------------------- 1 Ba 2.6230434 0.0684093 -0.0750683 -0.0018216 2.7400442 0.0715785 -0.0157246 0.1387855 2.8996408 2 Ba 2.6828947 0.0605894 0.0601225 0.0375103 3.0597072 0.0219818 0.0031957 0.0637626 2.4774467 3 Ba 2.6828947 -0.0605894 0.0601225 -0.0375103 3.0597072 -0.0219818 0.0031957 -0.0637626 2.4774467 4 Ba 2.6230434 -0.0684093 -0.0750683 0.0018216 2.7400442 -0.0715785 -0.0157246 -0.1387855 2.8996408 5 Ba 2.6230434 -0.0684093 -0.0750683 0.0018216 2.7400442 -0.0715785 -0.0157246 -0.1387855 2.8996408 6 Ba 2.6828947 -0.0605894 0.0601225 -0.0375103 3.0597072 -0.0219818 0.0031957 -0.0637626 2.4774467 7 Ba 2.6828947 0.0605894 0.0601225 0.0375103 3.0597072 0.0219818 0.0031957 0.0637626 2.4774467 8 Ba 2.6230434 0.0684093 -0.0750683 -0.0018216 2.7400442 0.0715785 -0.0157246 0.1387855 2.8996408 9 Ge 3.0630392 -0.0210992 0.0495432 -0.0322447 3.0411065 -0.0133560 0.0989551 0.0012040 2.7322024 10 Ge 3.0630392 0.0210992 0.0495432 0.0322447 3.0411065 0.0133560 0.0989551 -0.0012040 2.7322024 11 Ge 3.0630392 0.0210992 0.0495432 0.0322447 3.0411065 0.0133560 0.0989551 -0.0012040 2.7322024 12 Ge 3.0630392 -0.0210992 0.0495432 -0.0322447 3.0411065 -0.0133560 0.0989551 0.0012040 2.7322024 13 O -1.6176428 0.1167341 0.0502658 0.1083404 -2.9187699 0.0860110 0.0686022 0.0850609 -1.7314204 14 O -2.4247177 0.2780749 0.2551568 0.2260617 -2.0743102 -0.1393780 0.2731649 -0.1089024 -1.8523869 15 O -1.9598024 -0.1275544 0.0969251 -0.1089045 -2.0054742 0.2483574 0.0486555 0.2451710 -2.4316682 16 O -2.3668143 -0.1557077 -0.4369451 -0.1194976 -1.8423037 -0.1438672 -0.4768488 -0.0620761 -2.0938144 17 O -2.3668143 0.1557077 -0.4369451 0.1194976 -1.8423037 0.1438672 -0.4768488 0.0620761 -2.0938144 18 O -1.9598024 0.1275544 0.0969251 0.1089045 -2.0054742 -0.2483574 0.0486555 -0.2451710 -2.4316682 19 O -2.4247177 -0.2780749 0.2551568 -0.2260617 -2.0743102 0.1393780 0.2731649 0.1089024 -1.8523869 20 O -1.6176428 -0.1167341 0.0502658 -0.1083404 -2.9187699 -0.0860110 0.0686022 -0.0850609 -1.7314204 21 O -1.6176428 -0.1167341 0.0502658 -0.1083404 -2.9187699 -0.0860110 0.0686022 -0.0850609 -1.7314204 22 O -2.4247177 -0.2780749 0.2551568 -0.2260617 -2.0743102 0.1393780 0.2731649 0.1089024 -1.8523869 23 O -1.9598024 0.1275544 0.0969251 0.1089045 -2.0054742 -0.2483574 0.0486555 -0.2451710 -2.4316682 24 O -2.3668143 0.1557077 -0.4369451 0.1194976 -1.8423037 0.1438672 -0.4768488 0.0620761 -2.0938144 25 O -2.3668143 -0.1557077 -0.4369451 -0.1194976 -1.8423037 -0.1438672 -0.4768488 -0.0620761 -2.0938144 26 O -1.9598024 -0.1275544 0.0969251 -0.1089045 -2.0054742 0.2483574 0.0486555 0.2451710 -2.4316682 27 O -2.4247177 0.2780749 0.2551568 0.2260617 -2.0743102 -0.1393780 0.2731649 -0.1089024 -1.8523869 28 O -1.6176428 0.1167341 0.0502658 0.1083404 -2.9187699 0.0860110 0.0686022 0.0850609 -1.7314204 ---------------------------------------------------------------------------- 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (zzz) 0.00000001 (zzz) 0.00000001 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (zx) 0.00000001 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 22:58:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 22:58:24]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.007789930434441 0.000000000000000 0.000000000000000 b 0.000000000000000 7.598595750000000 0.000000000000000 c -5.491280210417012 0.000000000000000 10.394098569178372 Atomic positions (fractional): 1 Ba 0.53285952491591 0.00101318333778 0.30333548270911 137.327 2 Ba 0.81689665866736 0.15619377975326 0.07843647802796 137.327 3 Ba 0.81689665866736 0.34380622024674 0.57843647802796 137.327 4 Ba 0.53285952491591 0.49898681666222 0.80333548270911 137.327 5 Ba 0.46714047508409 0.50101318333778 0.19666451729089 137.327 6 Ba 0.18310334133264 0.65619377975326 0.42156352197204 137.327 7 Ba 0.18310334133264 0.84380622024674 0.92156352197204 137.327 8 Ba 0.46714047508409 0.99898681666222 0.69666451729089 137.327 9 Ge 0.16370543841665 0.22079539374902 0.41942930075087 72.640 10 Ge 0.16370543841665 0.27920460625098 0.91942930075088 72.640 11 Ge 0.83629456158335 0.72079539374902 0.08057069924912 72.640 12 Ge 0.83629456158335 0.77920460625098 0.58057069924912 72.640 13 O 0.79416186060140 0.00823288119849 0.57259135389449 15.999 14 O 0.35653795852539 0.17747247063487 0.86098837264190 15.999 15 O 0.26530549984638 0.18142906094543 0.07413008538835 15.999 16 O 0.84389024401553 0.22491207921739 0.82326241256312 15.999 17 O 0.84389024401553 0.27508792078261 0.32326241256312 15.999 18 O 0.26530549984638 0.31857093905457 0.57413008538835 15.999 19 O 0.35653795852539 0.32252752936513 0.36098837264190 15.999 20 O 0.79416186060140 0.49176711880151 0.07259135389449 15.999 21 O 0.20583813939860 0.50823288119849 0.92740864610551 15.999 22 O 0.64346204147461 0.67747247063487 0.63901162735810 15.999 23 O 0.73469450015362 0.68142906094543 0.42586991461165 15.999 24 O 0.15610975598447 0.72491207921739 0.67673758743688 15.999 25 O 0.15610975598447 0.77508792078261 0.17673758743688 15.999 26 O 0.73469450015362 0.81857093905457 0.92586991461165 15.999 27 O 0.64346204147461 0.82252752936513 0.13901162735810 15.999 28 O 0.20583813939860 0.99176711880151 0.42740864610551 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.015579860868883 0.000000000000000 0.000000000000000 b 0.000000000000000 15.197191500000001 0.000000000000000 c -5.491280210417012 0.000000000000000 10.394098569178372 Atomic positions (fractional): 1 Ba 0.26642976245796 0.00050659166889 0.30333548270911 137.327 > 1 2 Ba 0.76642976245796 0.00050659166889 0.30333548270911 137.327 > 1 3 Ba 0.26642976245796 0.50050659166889 0.30333548270911 137.327 > 1 4 Ba 0.76642976245796 0.50050659166889 0.30333548270911 137.327 > 1 5 Ba 0.40844832933368 0.07809688987663 0.07843647802796 137.327 > 5 6 Ba 0.90844832933368 0.07809688987663 0.07843647802796 137.327 > 5 7 Ba 0.40844832933368 0.57809688987663 0.07843647802796 137.327 > 5 8 Ba 0.90844832933368 0.57809688987663 0.07843647802796 137.327 > 5 9 Ba 0.40844832933368 0.17190311012337 0.57843647802796 137.327 > 9 10 Ba 0.90844832933368 0.17190311012337 0.57843647802796 137.327 > 9 11 Ba 0.40844832933368 0.67190311012337 0.57843647802796 137.327 > 9 12 Ba 0.90844832933368 0.67190311012337 0.57843647802796 137.327 > 9 13 Ba 0.26642976245796 0.24949340833111 0.80333548270911 137.327 > 13 14 Ba 0.76642976245796 0.24949340833111 0.80333548270911 137.327 > 13 15 Ba 0.26642976245796 0.74949340833111 0.80333548270911 137.327 > 13 16 Ba 0.76642976245796 0.74949340833111 0.80333548270911 137.327 > 13 17 Ba 0.23357023754204 0.25050659166889 0.19666451729089 137.327 > 17 18 Ba 0.73357023754204 0.25050659166889 0.19666451729089 137.327 > 17 19 Ba 0.23357023754204 0.75050659166889 0.19666451729089 137.327 > 17 20 Ba 0.73357023754204 0.75050659166889 0.19666451729089 137.327 > 17 21 Ba 0.09155167066632 0.32809688987663 0.42156352197204 137.327 > 21 22 Ba 0.59155167066632 0.32809688987663 0.42156352197204 137.327 > 21 23 Ba 0.09155167066632 0.82809688987663 0.42156352197204 137.327 > 21 24 Ba 0.59155167066632 0.82809688987663 0.42156352197204 137.327 > 21 25 Ba 0.09155167066632 0.42190311012337 0.92156352197204 137.327 > 25 26 Ba 0.59155167066632 0.42190311012337 0.92156352197204 137.327 > 25 27 Ba 0.09155167066632 0.92190311012337 0.92156352197204 137.327 > 25 28 Ba 0.59155167066632 0.92190311012337 0.92156352197204 137.327 > 25 29 Ba 0.23357023754204 0.49949340833111 0.69666451729089 137.327 > 29 30 Ba 0.73357023754204 0.49949340833111 0.69666451729089 137.327 > 29 31 Ba 0.23357023754204 0.99949340833111 0.69666451729089 137.327 > 29 32 Ba 0.73357023754204 0.99949340833111 0.69666451729089 137.327 > 29 33 Ge 0.08185271920832 0.11039769687451 0.41942930075087 72.640 > 33 34 Ge 0.58185271920832 0.11039769687451 0.41942930075087 72.640 > 33 35 Ge 0.08185271920832 0.61039769687451 0.41942930075087 72.640 > 33 36 Ge 0.58185271920832 0.61039769687451 0.41942930075087 72.640 > 33 37 Ge 0.08185271920832 0.13960230312549 0.91942930075088 72.640 > 37 38 Ge 0.58185271920832 0.13960230312549 0.91942930075088 72.640 > 37 39 Ge 0.08185271920832 0.63960230312549 0.91942930075088 72.640 > 37 40 Ge 0.58185271920832 0.63960230312549 0.91942930075088 72.640 > 37 41 Ge 0.41814728079168 0.36039769687451 0.08057069924912 72.640 > 41 42 Ge 0.91814728079168 0.36039769687451 0.08057069924912 72.640 > 41 43 Ge 0.41814728079168 0.86039769687451 0.08057069924912 72.640 > 41 44 Ge 0.91814728079168 0.86039769687451 0.08057069924912 72.640 > 41 45 Ge 0.41814728079168 0.38960230312549 0.58057069924912 72.640 > 45 46 Ge 0.91814728079168 0.38960230312549 0.58057069924912 72.640 > 45 47 Ge 0.41814728079168 0.88960230312549 0.58057069924912 72.640 > 45 48 Ge 0.91814728079168 0.88960230312549 0.58057069924912 72.640 > 45 49 O 0.39708093030070 0.00411644059924 0.57259135389449 15.999 > 49 50 O 0.89708093030070 0.00411644059924 0.57259135389449 15.999 > 49 51 O 0.39708093030070 0.50411644059924 0.57259135389449 15.999 > 49 52 O 0.89708093030070 0.50411644059924 0.57259135389449 15.999 > 49 53 O 0.17826897926269 0.08873623531744 0.86098837264190 15.999 > 53 54 O 0.67826897926270 0.08873623531744 0.86098837264190 15.999 > 53 55 O 0.17826897926269 0.58873623531744 0.86098837264190 15.999 > 53 56 O 0.67826897926270 0.58873623531744 0.86098837264190 15.999 > 53 57 O 0.13265274992319 0.09071453047271 0.07413008538835 15.999 > 57 58 O 0.63265274992319 0.09071453047271 0.07413008538835 15.999 > 57 59 O 0.13265274992319 0.59071453047271 0.07413008538835 15.999 > 57 60 O 0.63265274992319 0.59071453047271 0.07413008538835 15.999 > 57 61 O 0.42194512200776 0.11245603960870 0.82326241256312 15.999 > 61 62 O 0.92194512200776 0.11245603960870 0.82326241256312 15.999 > 61 63 O 0.42194512200776 0.61245603960870 0.82326241256312 15.999 > 61 64 O 0.92194512200776 0.61245603960870 0.82326241256312 15.999 > 61 65 O 0.42194512200776 0.13754396039130 0.32326241256312 15.999 > 65 66 O 0.92194512200776 0.13754396039130 0.32326241256312 15.999 > 65 67 O 0.42194512200776 0.63754396039130 0.32326241256312 15.999 > 65 68 O 0.92194512200776 0.63754396039130 0.32326241256312 15.999 > 65 69 O 0.13265274992319 0.15928546952729 0.57413008538835 15.999 > 69 70 O 0.63265274992319 0.15928546952729 0.57413008538835 15.999 > 69 71 O 0.13265274992319 0.65928546952729 0.57413008538835 15.999 > 69 72 O 0.63265274992319 0.65928546952729 0.57413008538835 15.999 > 69 73 O 0.17826897926269 0.16126376468256 0.36098837264190 15.999 > 73 74 O 0.67826897926270 0.16126376468256 0.36098837264190 15.999 > 73 75 O 0.17826897926269 0.66126376468256 0.36098837264190 15.999 > 73 76 O 0.67826897926270 0.66126376468256 0.36098837264190 15.999 > 73 77 O 0.39708093030070 0.24588355940076 0.07259135389449 15.999 > 77 78 O 0.89708093030070 0.24588355940076 0.07259135389449 15.999 > 77 79 O 0.39708093030070 0.74588355940076 0.07259135389449 15.999 > 77 80 O 0.89708093030070 0.74588355940076 0.07259135389449 15.999 > 77 81 O 0.10291906969930 0.25411644059924 0.92740864610551 15.999 > 81 82 O 0.60291906969930 0.25411644059924 0.92740864610551 15.999 > 81 83 O 0.10291906969930 0.75411644059924 0.92740864610551 15.999 > 81 84 O 0.60291906969930 0.75411644059924 0.92740864610551 15.999 > 81 85 O 0.32173102073730 0.33873623531744 0.63901162735810 15.999 > 85 86 O 0.82173102073730 0.33873623531744 0.63901162735810 15.999 > 85 87 O 0.32173102073730 0.83873623531744 0.63901162735810 15.999 > 85 88 O 0.82173102073730 0.83873623531744 0.63901162735810 15.999 > 85 89 O 0.36734725007681 0.34071453047271 0.42586991461165 15.999 > 89 90 O 0.86734725007681 0.34071453047271 0.42586991461165 15.999 > 89 91 O 0.36734725007681 0.84071453047271 0.42586991461165 15.999 > 89 92 O 0.86734725007681 0.84071453047271 0.42586991461165 15.999 > 89 93 O 0.07805487799224 0.36245603960870 0.67673758743688 15.999 > 93 94 O 0.57805487799224 0.36245603960870 0.67673758743688 15.999 > 93 95 O 0.07805487799224 0.86245603960870 0.67673758743688 15.999 > 93 96 O 0.57805487799224 0.86245603960870 0.67673758743688 15.999 > 93 97 O 0.07805487799224 0.38754396039130 0.17673758743688 15.999 > 97 98 O 0.57805487799224 0.38754396039130 0.17673758743688 15.999 > 97 99 O 0.07805487799224 0.88754396039130 0.17673758743688 15.999 > 97 100 O 0.57805487799224 0.88754396039130 0.17673758743688 15.999 > 97 101 O 0.36734725007681 0.40928546952729 0.92586991461165 15.999 > 101 102 O 0.86734725007681 0.40928546952729 0.92586991461165 15.999 > 101 103 O 0.36734725007681 0.90928546952729 0.92586991461165 15.999 > 101 104 O 0.86734725007681 0.90928546952729 0.92586991461165 15.999 > 101 105 O 0.32173102073730 0.41126376468256 0.13901162735810 15.999 > 105 106 O 0.82173102073730 0.41126376468256 0.13901162735810 15.999 > 105 107 O 0.32173102073730 0.91126376468256 0.13901162735810 15.999 > 105 108 O 0.82173102073730 0.91126376468256 0.13901162735810 15.999 > 105 109 O 0.10291906969930 0.49588355940076 0.42740864610551 15.999 > 109 110 O 0.60291906969930 0.49588355940076 0.42740864610551 15.999 > 109 111 O 0.10291906969930 0.99588355940076 0.42740864610551 15.999 > 109 112 O 0.60291906969930 0.99588355940076 0.42740864610551 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.7107739 0.0000000 0.0232876 0.0000000 3.8510837 0.0000000 0.0232481 0.0000000 3.6746215 -------------------------- Born effective charges -------------------------- 1 Ba 2.6230434 0.0684093 -0.0750683 -0.0018216 2.7400442 0.0715785 -0.0157246 0.1387855 2.8996408 2 Ba 2.6828947 0.0605894 0.0601225 0.0375103 3.0597072 0.0219818 0.0031957 0.0637626 2.4774467 3 Ba 2.6828947 -0.0605894 0.0601225 -0.0375103 3.0597072 -0.0219818 0.0031957 -0.0637626 2.4774467 4 Ba 2.6230434 -0.0684093 -0.0750683 0.0018216 2.7400442 -0.0715785 -0.0157246 -0.1387855 2.8996408 5 Ba 2.6230434 -0.0684093 -0.0750683 0.0018216 2.7400442 -0.0715785 -0.0157246 -0.1387855 2.8996408 6 Ba 2.6828947 -0.0605894 0.0601225 -0.0375103 3.0597072 -0.0219818 0.0031957 -0.0637626 2.4774467 7 Ba 2.6828947 0.0605894 0.0601225 0.0375103 3.0597072 0.0219818 0.0031957 0.0637626 2.4774467 8 Ba 2.6230434 0.0684093 -0.0750683 -0.0018216 2.7400442 0.0715785 -0.0157246 0.1387855 2.8996408 9 Ge 3.0630392 -0.0210992 0.0495432 -0.0322447 3.0411065 -0.0133560 0.0989551 0.0012040 2.7322024 10 Ge 3.0630392 0.0210992 0.0495432 0.0322447 3.0411065 0.0133560 0.0989551 -0.0012040 2.7322024 11 Ge 3.0630392 0.0210992 0.0495432 0.0322447 3.0411065 0.0133560 0.0989551 -0.0012040 2.7322024 12 Ge 3.0630392 -0.0210992 0.0495432 -0.0322447 3.0411065 -0.0133560 0.0989551 0.0012040 2.7322024 13 O -1.6176428 0.1167341 0.0502658 0.1083404 -2.9187699 0.0860110 0.0686022 0.0850609 -1.7314204 14 O -2.4247177 0.2780749 0.2551568 0.2260617 -2.0743102 -0.1393780 0.2731649 -0.1089024 -1.8523869 15 O -1.9598024 -0.1275544 0.0969251 -0.1089045 -2.0054742 0.2483574 0.0486555 0.2451710 -2.4316682 16 O -2.3668143 -0.1557077 -0.4369451 -0.1194976 -1.8423037 -0.1438672 -0.4768488 -0.0620761 -2.0938144 17 O -2.3668143 0.1557077 -0.4369451 0.1194976 -1.8423037 0.1438672 -0.4768488 0.0620761 -2.0938144 18 O -1.9598024 0.1275544 0.0969251 0.1089045 -2.0054742 -0.2483574 0.0486555 -0.2451710 -2.4316682 19 O -2.4247177 -0.2780749 0.2551568 -0.2260617 -2.0743102 0.1393780 0.2731649 0.1089024 -1.8523869 20 O -1.6176428 -0.1167341 0.0502658 -0.1083404 -2.9187699 -0.0860110 0.0686022 -0.0850609 -1.7314204 21 O -1.6176428 -0.1167341 0.0502658 -0.1083404 -2.9187699 -0.0860110 0.0686022 -0.0850609 -1.7314204 22 O -2.4247177 -0.2780749 0.2551568 -0.2260617 -2.0743102 0.1393780 0.2731649 0.1089024 -1.8523869 23 O -1.9598024 0.1275544 0.0969251 0.1089045 -2.0054742 -0.2483574 0.0486555 -0.2451710 -2.4316682 24 O -2.3668143 0.1557077 -0.4369451 0.1194976 -1.8423037 0.1438672 -0.4768488 0.0620761 -2.0938144 25 O -2.3668143 -0.1557077 -0.4369451 -0.1194976 -1.8423037 -0.1438672 -0.4768488 -0.0620761 -2.0938144 26 O -1.9598024 -0.1275544 0.0969251 -0.1089045 -2.0054742 0.2483574 0.0486555 0.2451710 -2.4316682 27 O -2.4247177 0.2780749 0.2551568 0.2260617 -2.0743102 -0.1393780 0.2731649 -0.1089024 -1.8523869 28 O -1.6176428 0.1167341 0.0502658 0.1083404 -2.9187699 0.0860110 0.0686022 0.0850609 -1.7314204 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (zzz) 0.00000001 (zzz) 0.00000001 (zzz) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 7 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.53, Number of G-points: 303, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/92) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.529 ( 0.000 0.000 0.000) 0.000 1.546 ( 0.000 0.000 0.000) 0.000 1.736 ( 0.000 0.000 0.000) 0.000 1.744 ( 0.000 0.000 0.000) 0.000 2.104 ( 0.000 0.000 0.000) 0.000 2.141 ( 0.000 0.000 0.000) 0.000 2.216 ( 0.000 0.000 0.000) 0.000 2.268 ( 0.000 0.000 0.000) 0.000 2.345 ( 0.000 0.000 0.000) 0.000 2.528 ( 0.000 0.000 0.000) 0.000 2.562 ( 0.000 0.000 0.000) 0.000 2.595 ( 0.000 0.000 0.000) 0.000 2.721 ( 0.000 0.000 0.000) 0.000 2.767 ( 0.000 0.000 0.000) 0.000 3.004 ( 0.000 0.000 0.000) 0.000 3.031 ( 0.000 0.000 0.000) 0.000 3.038 ( 0.000 0.000 0.000) 0.000 3.253 ( 0.000 0.000 0.000) 0.000 3.294 ( 0.000 0.000 0.000) 0.000 3.409 ( 0.000 0.000 0.000) 0.000 3.447 ( 0.000 0.000 0.000) 0.000 3.511 ( 0.000 0.000 0.000) 0.000 3.707 ( 0.000 0.000 0.000) 0.000 3.847 ( 0.000 0.000 0.000) 0.000 4.051 ( 0.000 0.000 0.000) 0.000 4.232 ( 0.000 0.000 0.000) 0.000 4.325 ( 0.000 0.000 0.000) 0.000 4.359 ( 0.000 0.000 0.000) 0.000 4.421 ( 0.000 0.000 0.000) 0.000 4.549 ( 0.000 0.000 0.000) 0.000 4.562 ( 0.000 0.000 0.000) 0.000 4.619 ( 0.000 0.000 0.000) 0.000 4.664 ( 0.000 0.000 0.000) 0.000 4.726 ( 0.000 0.000 0.000) 0.000 4.775 ( 0.000 0.000 0.000) 0.000 4.982 ( 0.000 0.000 0.000) 0.000 5.001 ( 0.000 0.000 0.000) 0.000 5.002 ( 0.000 0.000 0.000) 0.000 5.165 ( 0.000 0.000 0.000) 0.000 5.244 ( 0.000 0.000 0.000) 0.000 5.272 ( 0.000 0.000 0.000) 0.000 5.462 ( 0.000 0.000 0.000) 0.000 5.627 ( 0.000 0.000 0.000) 0.000 5.712 ( 0.000 0.000 0.000) 0.000 5.816 ( 0.000 0.000 0.000) 0.000 8.070 ( 0.000 0.000 0.000) 0.000 8.193 ( 0.000 0.000 0.000) 0.000 8.331 ( 0.000 0.000 0.000) 0.000 8.611 ( 0.000 0.000 0.000) 0.000 8.746 ( 0.000 0.000 0.000) 0.000 8.923 ( 0.000 0.000 0.000) 0.000 9.008 ( 0.000 0.000 0.000) 0.000 9.264 ( 0.000 0.000 0.000) 0.000 9.539 ( 0.000 0.000 0.000) 0.000 9.679 ( 0.000 0.000 0.000) 0.000 9.852 ( 0.000 0.000 0.000) 0.000 10.039 ( 0.000 0.000 0.000) 0.000 10.102 ( 0.000 0.000 0.000) 0.000 10.495 ( 0.000 0.000 0.000) 0.000 10.539 ( 0.000 0.000 0.000) 0.000 10.566 ( 0.000 0.000 0.000) 0.000 10.863 ( 0.000 0.000 0.000) 0.000 11.067 ( 0.000 0.000 0.000) 0.000 11.259 ( 0.000 0.000 0.000) 0.000 11.803 ( 0.000 0.000 0.000) 0.000 19.125 ( 0.000 0.000 0.000) 0.000 19.406 ( 0.000 0.000 0.000) 0.000 19.474 ( 0.000 0.000 0.000) 0.000 20.125 ( 0.000 0.000 0.000) 0.000 20.176 ( 0.000 0.000 0.000) 0.000 20.269 ( 0.000 0.000 0.000) 0.000 20.276 ( 0.000 0.000 0.000) 0.000 20.502 ( 0.000 0.000 0.000) 0.000 21.025 ( 0.000 0.000 0.000) 0.000 21.108 ( 0.000 0.000 0.000) 0.000 21.335 ( 0.000 0.000 0.000) 0.000 21.417 ( 0.000 0.000 0.000) 0.000 21.816 ( 0.000 0.000 0.000) 0.000 21.886 ( 0.000 0.000 0.000) 0.000 22.083 ( 0.000 0.000 0.000) 0.000 22.094 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/92) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.474 ( 19.970 0.000 8.544) 21.722 0.500 ( 20.478 0.000 10.522) 23.023 0.750 ( 25.941 0.000 17.287) 31.173 1.428 ( 4.662 0.000 -7.517) 8.846 1.669 ( 2.702 0.000 -9.410) 9.790 1.792 ( 5.676 0.000 10.589) 12.014 1.848 ( -1.859 0.000 11.968) 12.111 1.967 ( -12.309 0.000 8.673) 15.058 2.069 ( -6.163 0.000 2.404) 6.615 2.265 ( 4.411 0.000 -1.473) 4.650 2.301 ( 6.135 0.000 -5.267) 8.086 2.458 ( 3.757 0.000 5.267) 6.470 2.491 ( -3.796 0.000 0.306) 3.808 2.581 ( -1.161 0.000 0.444) 1.243 2.595 ( 1.805 0.000 -0.275) 1.825 2.707 ( 0.475 0.000 -1.577) 1.647 2.723 ( -4.920 0.000 -1.416) 5.119 2.866 ( -7.867 0.000 -2.177) 8.163 2.988 ( -3.300 0.000 -1.306) 3.548 3.098 ( 1.372 0.000 0.672) 1.528 3.254 ( 0.861 0.000 -2.635) 2.772 3.328 ( -4.976 0.000 -7.024) 8.608 3.443 ( 2.178 0.000 1.942) 2.919 3.562 ( 3.130 0.000 -0.148) 3.134 3.593 ( 6.965 0.000 -6.125) 9.275 3.721 ( 4.519 0.000 -5.069) 6.790 4.078 ( -5.929 0.000 0.450) 5.946 4.156 ( 8.487 0.000 2.244) 8.778 4.203 ( -2.247 0.000 -3.085) 3.817 4.393 ( 4.879 0.000 0.080) 4.880 4.397 ( -1.649 0.000 -1.471) 2.210 4.518 ( -5.632 0.000 -4.057) 6.941 4.538 ( 2.884 0.000 -7.268) 7.819 4.544 ( 0.083 0.000 -1.722) 1.724 4.614 ( 3.647 0.000 5.701) 6.768 4.757 ( 2.426 0.000 6.807) 7.226 4.790 ( 1.812 0.000 -0.325) 1.841 4.860 ( 9.145 0.000 -8.105) 12.220 4.977 ( -1.660 0.000 4.460) 4.759 5.100 ( -1.233 0.000 8.125) 8.218 5.137 ( -1.503 0.000 -0.352) 1.543 5.300 ( 3.431 0.000 2.846) 4.458 5.335 ( 5.244 0.000 1.254) 5.392 5.438 ( -0.545 0.000 -2.516) 2.574 5.694 ( 4.999 0.000 2.449) 5.567 5.695 ( -1.349 0.000 -1.318) 1.886 5.776 ( -0.516 0.000 -3.797) 3.832 6.185 ( -9.552 0.000 0.750) 9.581 8.040 ( -3.589 0.000 3.011) 4.685 8.278 ( 6.341 0.000 -0.480) 6.359 8.355 ( 0.130 0.000 0.370) 0.392 8.493 ( -4.381 0.000 -6.520) 7.856 8.820 ( 2.281 0.000 6.182) 6.590 8.820 ( -7.502 0.000 -3.159) 8.140 9.034 ( 2.352 0.000 -0.596) 2.427 9.347 ( 6.482 0.000 -4.065) 7.651 9.507 ( 2.447 0.000 -8.089) 8.451 9.682 ( -0.852 0.000 3.015) 3.133 10.072 ( 1.249 0.000 3.920) 4.115 10.194 ( 4.587 0.000 8.275) 9.461 10.504 ( -3.764 0.000 -0.080) 3.764 10.532 ( 4.486 0.000 -0.873) 4.571 10.647 ( 9.866 0.000 -3.540) 10.482 10.869 ( 7.783 0.000 -8.823) 11.765 11.070 ( -2.135 0.000 4.570) 5.044 11.227 ( -2.561 0.000 -1.581) 3.010 11.616 ( -3.538 0.000 9.575) 10.208 11.746 ( -5.611 0.000 -0.699) 5.654 19.130 ( 0.253 0.000 0.587) 0.639 19.405 ( 0.173 0.000 -0.390) 0.427 19.472 ( -2.220 0.000 3.264) 3.947 20.059 ( -10.044 0.000 2.911) 10.458 20.273 ( 4.624 0.000 -1.293) 4.801 20.311 ( 3.640 0.000 0.119) 3.642 20.600 ( 7.344 0.000 1.760) 7.552 20.853 ( 3.828 0.000 -7.991) 8.861 21.018 ( -1.225 0.000 0.814) 1.470 21.331 ( -2.205 0.000 1.779) 2.833 21.411 ( 3.016 0.000 -5.506) 6.278 21.813 ( -0.342 0.000 0.149) 0.373 21.875 ( -0.630 0.000 -0.464) 0.783 22.066 ( -0.996 0.000 -1.205) 1.563 22.073 ( -1.948 0.000 -0.483) 2.007 22.287 ( 0.756 0.000 0.612) 0.972 ======================= Grid point 2 (3/92) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( 16.362 0.000 4.636) 17.006 0.935 ( 15.619 0.000 7.833) 17.473 1.214 ( 9.535 0.000 12.769) 15.936 1.492 ( 5.718 0.000 -2.054) 6.076 1.716 ( 10.016 0.000 -4.748) 11.085 1.862 ( -9.216 0.000 5.490) 10.727 1.887 ( -1.883 0.000 6.297) 6.572 1.912 ( -2.042 0.000 8.066) 8.321 2.040 ( -1.096 0.000 3.351) 3.525 2.313 ( -5.959 0.000 -2.755) 6.565 2.363 ( 5.013 0.000 1.817) 5.332 2.376 ( -3.629 0.000 -0.036) 3.630 2.482 ( -6.408 0.000 -2.841) 7.010 2.511 ( -8.566 0.000 0.546) 8.584 2.596 ( -2.201 0.000 -0.986) 2.412 2.645 ( 4.718 0.000 4.541) 6.549 2.660 ( -2.940 0.000 -8.099) 8.616 2.830 ( 2.012 0.000 4.266) 4.717 2.911 ( -2.436 0.000 -0.160) 2.441 3.089 ( -2.221 0.000 -0.904) 2.398 3.224 ( 2.894 0.000 -6.037) 6.695 3.266 ( 8.202 0.000 -10.555) 13.367 3.514 ( 3.102 0.000 2.634) 4.069 3.596 ( -2.604 0.000 3.417) 4.296 3.624 ( 0.300 0.000 -2.752) 2.768 3.813 ( 11.737 0.000 -4.001) 12.400 3.941 ( -7.924 0.000 -2.215) 8.228 4.157 ( -0.436 0.000 -1.209) 1.285 4.263 ( -2.289 0.000 4.083) 4.681 4.348 ( -1.472 0.000 -4.190) 4.441 4.412 ( 3.824 0.000 -7.897) 8.774 4.460 ( 2.066 0.000 -0.377) 2.100 4.595 ( 8.310 0.000 0.526) 8.326 4.631 ( 7.875 0.000 0.942) 7.931 4.788 ( 8.494 0.000 5.706) 10.233 4.824 ( 1.782 0.000 0.663) 1.901 4.856 ( 3.753 0.000 2.078) 4.289 4.956 ( -6.917 0.000 3.367) 7.693 4.986 ( 8.606 0.000 -1.522) 8.740 5.085 ( -4.091 0.000 3.781) 5.571 5.117 ( -0.732 0.000 1.014) 1.251 5.349 ( -4.745 0.000 1.665) 5.029 5.400 ( 4.552 0.000 2.222) 5.065 5.505 ( 7.001 0.000 -0.553) 7.023 5.657 ( 0.566 0.000 -1.738) 1.827 5.774 ( 4.798 0.000 -5.056) 6.970 5.803 ( 2.850 0.000 1.612) 3.275 5.969 ( -10.586 0.000 -3.881) 11.275 8.022 ( -2.086 0.000 4.439) 4.904 8.236 ( -7.620 0.000 -4.232) 8.716 8.398 ( 5.519 0.000 0.298) 5.527 8.449 ( 2.180 0.000 -4.067) 4.615 8.638 ( -7.304 0.000 -3.360) 8.039 8.887 ( -4.941 0.000 8.436) 9.777 9.109 ( 8.738 0.000 -1.539) 8.873 9.338 ( 0.574 0.000 -8.309) 8.329 9.554 ( 6.551 0.000 -2.142) 6.892 9.722 ( 1.748 0.000 4.069) 4.429 10.146 ( 1.648 0.000 4.741) 5.019 10.367 ( 3.794 0.000 -2.090) 4.332 10.436 ( -1.015 0.000 7.602) 7.670 10.643 ( 7.370 0.000 0.253) 7.374 10.815 ( 11.255 0.000 -4.863) 12.261 10.944 ( 5.026 0.000 -2.570) 5.645 11.092 ( 1.104 0.000 3.825) 3.982 11.144 ( -3.188 0.000 -3.167) 4.494 11.595 ( -9.287 0.000 -0.920) 9.332 11.640 ( -1.795 0.000 4.697) 5.029 19.145 ( 0.577 0.000 1.009) 1.162 19.405 ( 0.518 0.000 -0.851) 0.996 19.457 ( -1.916 0.000 1.531) 2.453 19.864 ( -11.790 0.000 1.072) 11.839 20.392 ( 7.674 0.000 -0.019) 7.674 20.407 ( 6.351 0.000 0.320) 6.359 20.767 ( 6.746 0.000 4.778) 8.266 20.843 ( 1.323 0.000 -3.861) 4.081 20.992 ( -2.660 0.000 1.195) 2.916 21.258 ( -6.934 0.000 0.934) 6.997 21.449 ( 7.679 0.000 -7.054) 10.427 21.810 ( -0.040 0.000 0.230) 0.233 21.867 ( 0.428 0.000 -0.286) 0.515 22.016 ( -3.392 0.000 -0.827) 3.492 22.024 ( -2.298 0.000 -1.046) 2.524 22.312 ( 1.407 0.000 0.048) 1.408 ======================= Grid point 3 (4/92) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( -3.306 0.000 -3.623) 4.904 1.137 ( 8.610 0.000 -1.116) 8.682 1.495 ( 11.294 0.000 7.875) 13.769 1.595 ( 3.498 0.000 2.422) 4.255 1.718 ( -3.549 0.000 -3.701) 5.128 1.846 ( -8.051 0.000 5.204) 9.586 1.885 ( 11.377 0.000 -3.237) 11.829 1.910 ( -3.663 0.000 4.948) 6.156 2.025 ( -5.100 0.000 2.362) 5.620 2.155 ( -3.645 0.000 -1.886) 4.104 2.247 ( -5.287 0.000 -5.249) 7.450 2.279 ( -8.263 0.000 5.790) 10.090 2.460 ( 0.580 0.000 -0.761) 0.957 2.485 ( -5.041 0.000 -2.814) 5.774 2.515 ( 4.717 0.000 3.734) 6.016 2.618 ( -1.365 0.000 3.411) 3.674 2.769 ( 3.665 0.000 3.440) 5.026 2.886 ( -0.627 0.000 -0.541) 0.828 2.911 ( -1.725 0.000 2.473) 3.015 3.016 ( -2.899 0.000 -2.196) 3.637 3.188 ( 0.676 0.000 -5.947) 5.985 3.387 ( 11.549 0.000 -10.902) 15.881 3.567 ( -1.521 0.000 1.252) 1.970 3.569 ( -1.749 0.000 3.417) 3.839 3.614 ( 2.764 0.000 -1.002) 2.940 3.772 ( -5.789 0.000 -2.338) 6.244 4.056 ( 13.212 0.000 2.247) 13.402 4.139 ( -1.363 0.000 0.871) 1.618 4.221 ( -2.131 0.000 -3.727) 4.293 4.313 ( 0.643 0.000 0.110) 0.653 4.446 ( 7.018 0.000 -6.574) 9.616 4.449 ( -4.013 0.000 2.485) 4.720 4.747 ( -6.735 0.000 5.694) 8.820 4.773 ( 5.303 0.000 2.276) 5.771 4.867 ( 7.927 0.000 -1.789) 8.126 4.891 ( 4.754 0.000 0.153) 4.756 4.910 ( 3.192 0.000 -0.498) 3.231 4.997 ( 4.393 0.000 3.372) 5.538 5.070 ( -1.143 0.000 1.451) 1.847 5.108 ( 6.201 0.000 -1.801) 6.457 5.176 ( 5.500 0.000 4.424) 7.059 5.267 ( -5.062 0.000 1.590) 5.306 5.473 ( 1.091 0.000 -1.789) 2.096 5.559 ( 1.006 0.000 -1.991) 2.230 5.706 ( 2.641 0.000 2.226) 3.454 5.738 ( -5.330 0.000 -0.104) 5.331 5.835 ( 6.411 0.000 -5.195) 8.252 5.851 ( -2.082 0.000 -1.276) 2.442 8.047 ( -0.550 0.000 5.173) 5.202 8.077 ( -4.855 0.000 -3.527) 6.001 8.374 ( -5.827 0.000 -3.714) 6.910 8.426 ( -0.577 0.000 -3.546) 3.592 8.598 ( 3.465 0.000 1.339) 3.715 8.825 ( -6.204 0.000 3.283) 7.020 9.269 ( 0.353 0.000 -6.569) 6.579 9.293 ( 9.005 0.000 1.974) 9.219 9.650 ( 5.273 0.000 -1.338) 5.440 9.831 ( 5.285 0.000 4.660) 7.046 10.205 ( 0.017 0.000 2.985) 2.985 10.288 ( -3.147 0.000 -3.567) 4.757 10.609 ( 6.892 0.000 4.683) 8.333 10.762 ( 2.687 0.000 1.587) 3.120 10.911 ( 5.435 0.000 -7.569) 9.318 10.964 ( -3.128 0.000 3.746) 4.880 11.103 ( 2.797 0.000 -2.073) 3.482 11.212 ( 8.635 0.000 0.802) 8.672 11.414 ( -8.925 0.000 0.178) 8.926 11.629 ( -3.150 0.000 1.984) 3.722 19.169 ( 0.832 0.000 1.072) 1.357 19.409 ( 0.981 0.000 -1.157) 1.517 19.432 ( -1.804 0.000 0.572) 1.892 19.675 ( -8.760 0.000 0.222) 8.763 20.534 ( 7.442 0.000 0.174) 7.444 20.543 ( 7.532 0.000 0.539) 7.551 20.828 ( 0.341 0.000 -2.339) 2.363 20.919 ( 3.826 0.000 4.906) 6.222 20.940 ( -4.256 0.000 1.092) 4.393 21.113 ( -8.169 0.000 -0.697) 8.199 21.548 ( 8.622 0.000 -4.091) 9.543 21.819 ( 0.835 0.000 0.332) 0.899 21.885 ( 1.452 0.000 -0.423) 1.513 21.937 ( -4.161 0.000 -0.525) 4.194 21.965 ( -2.811 0.000 -0.970) 2.973 22.336 ( 1.122 0.000 -0.109) 1.127 ======================= Grid point 4 (5/92) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( -16.223 0.000 -11.138) 19.678 1.191 ( 0.977 0.000 -2.344) 2.540 1.527 ( -4.788 0.000 0.120) 4.789 1.720 ( 8.899 0.000 -3.037) 9.403 1.797 ( 6.614 0.000 -2.740) 7.159 1.849 ( 0.460 0.000 6.438) 6.455 1.919 ( -6.768 0.000 3.153) 7.467 1.942 ( -0.968 0.000 8.147) 8.204 2.067 ( 11.860 0.000 -5.229) 12.961 2.069 ( -1.392 0.000 -4.339) 4.557 2.191 ( -1.417 0.000 1.766) 2.264 2.221 ( -7.325 0.000 5.763) 9.321 2.386 ( -2.825 0.000 -1.139) 3.046 2.499 ( 3.404 0.000 2.398) 4.164 2.606 ( -1.804 0.000 1.322) 2.236 2.665 ( 5.985 0.000 4.242) 7.336 2.803 ( -3.658 0.000 -3.424) 5.011 2.833 ( -1.686 0.000 0.207) 1.699 2.878 ( -0.021 0.000 -0.067) 0.070 2.912 ( -5.074 0.000 -2.254) 5.553 3.158 ( 0.377 0.000 -1.993) 2.028 3.433 ( 2.935 0.000 -4.756) 5.589 3.556 ( -3.016 0.000 3.433) 4.570 3.568 ( -0.755 0.000 -4.316) 4.381 3.611 ( 1.191 0.000 2.750) 2.997 3.771 ( 2.657 0.000 0.452) 2.695 4.120 ( -1.393 0.000 -3.442) 3.713 4.132 ( -0.392 0.000 0.888) 0.970 4.275 ( 2.118 0.000 -0.992) 2.339 4.330 ( 5.799 0.000 -1.453) 5.978 4.415 ( -3.772 0.000 4.760) 6.074 4.508 ( 3.427 0.000 -2.180) 4.061 4.642 ( -4.601 0.000 2.033) 5.030 4.858 ( 2.485 0.000 0.155) 2.489 4.930 ( -0.787 0.000 0.454) 0.908 4.959 ( 3.521 0.000 -0.580) 3.569 5.028 ( 3.559 0.000 -0.516) 3.596 5.068 ( 0.027 0.000 0.937) 0.937 5.086 ( 5.341 0.000 -0.709) 5.388 5.155 ( -0.593 0.000 -1.146) 1.291 5.220 ( -1.174 0.000 1.834) 2.178 5.303 ( 0.296 0.000 4.124) 4.135 5.457 ( 3.039 0.000 -1.466) 3.374 5.546 ( -0.384 0.000 -0.757) 0.849 5.730 ( 0.553 0.000 1.633) 1.724 5.755 ( 0.828 0.000 0.913) 1.232 5.767 ( -3.777 0.000 -2.085) 4.315 5.881 ( 2.310 0.000 -2.322) 3.275 7.996 ( -1.439 0.000 -1.254) 1.908 8.092 ( 0.243 0.000 3.790) 3.798 8.241 ( -3.212 0.000 -3.363) 4.651 8.379 ( -1.036 0.000 -1.573) 1.884 8.666 ( 1.591 0.000 1.018) 1.889 8.761 ( -2.340 0.000 0.816) 2.478 9.230 ( 0.274 0.000 -2.444) 2.460 9.433 ( 3.581 0.000 1.133) 3.756 9.714 ( 2.394 0.000 -0.721) 2.500 9.994 ( 6.804 0.000 3.972) 7.878 10.175 ( -4.524 0.000 -0.783) 4.592 10.218 ( -1.600 0.000 -1.043) 1.910 10.742 ( 4.443 0.000 0.053) 4.443 10.790 ( 0.872 0.000 1.535) 1.766 10.891 ( -0.588 0.000 -5.201) 5.234 10.927 ( -3.528 0.000 2.874) 4.550 11.175 ( 5.165 0.000 -0.851) 5.235 11.291 ( -5.164 0.000 1.119) 5.284 11.382 ( 7.578 0.000 0.783) 7.619 11.561 ( -4.848 0.000 0.124) 4.850 19.191 ( 0.489 0.000 0.512) 0.708 19.408 ( -0.861 0.000 0.062) 0.863 19.419 ( 0.944 0.000 -0.722) 1.188 19.559 ( -3.627 0.000 0.188) 3.632 20.661 ( 5.090 0.000 0.420) 5.107 20.683 ( 6.380 0.000 0.648) 6.412 20.802 ( -1.771 0.000 -1.471) 2.302 20.868 ( -3.280 0.000 0.696) 3.353 20.942 ( -4.438 0.000 -0.713) 4.495 21.022 ( -0.067 0.000 1.710) 1.711 21.667 ( 5.693 0.000 -0.738) 5.741 21.841 ( -3.633 0.000 -1.016) 3.773 21.847 ( 1.533 0.000 0.441) 1.595 21.907 ( -2.286 0.000 -0.689) 2.387 21.917 ( 0.628 0.000 0.354) 0.721 22.349 ( 0.407 0.000 -0.063) 0.412 ======================= Grid point 9 (6/92) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.438 ( 0.000 23.405 0.000) 23.405 0.489 ( 0.000 25.511 0.000) 25.511 0.932 ( 0.000 47.365 0.000) 47.365 1.510 ( 0.000 -1.956 0.000) 1.956 1.538 ( 0.000 1.075 0.000) 1.075 1.842 ( 0.000 7.334 0.000) 7.334 1.924 ( 0.000 17.349 0.000) 17.349 2.066 ( 0.000 -2.563 0.000) 2.563 2.143 ( 0.000 -1.288 0.000) 1.288 2.205 ( 0.000 -0.762 0.000) 0.762 2.269 ( 0.000 0.578 0.000) 0.578 2.364 ( 0.000 1.861 0.000) 1.861 2.532 ( 0.000 1.336 0.000) 1.336 2.610 ( 0.000 1.181 0.000) 1.181 2.711 ( 0.000 5.847 0.000) 5.847 2.735 ( 0.000 0.903 0.000) 0.903 2.806 ( 0.000 11.074 0.000) 11.074 2.940 ( 0.000 -6.915 0.000) 6.915 3.043 ( 0.000 0.749 0.000) 0.749 3.145 ( 0.000 9.492 0.000) 9.492 3.217 ( 0.000 4.120 0.000) 4.120 3.248 ( 0.000 -5.729 0.000) 5.729 3.393 ( 0.000 -3.016 0.000) 3.016 3.496 ( 0.000 4.242 0.000) 4.242 3.639 ( 0.000 12.140 0.000) 12.140 3.717 ( 0.000 1.307 0.000) 1.307 3.905 ( 0.000 3.892 0.000) 3.892 4.055 ( 0.000 -5.380 0.000) 5.380 4.231 ( 0.000 -8.523 0.000) 8.523 4.322 ( 0.000 4.706 0.000) 4.706 4.375 ( 0.000 1.628 0.000) 1.628 4.384 ( 0.000 -1.748 0.000) 1.748 4.502 ( 0.000 -5.074 0.000) 5.074 4.617 ( 0.000 1.204 0.000) 1.204 4.666 ( 0.000 -0.759 0.000) 0.759 4.720 ( 0.000 -0.332 0.000) 0.332 4.727 ( 0.000 0.995 0.000) 0.995 4.801 ( 0.000 3.576 0.000) 3.576 4.918 ( 0.000 -4.994 0.000) 4.994 5.025 ( 0.000 3.582 0.000) 3.582 5.027 ( 0.000 -11.144 0.000) 11.144 5.285 ( 0.000 1.575 0.000) 1.575 5.291 ( 0.000 2.938 0.000) 2.938 5.519 ( 0.000 4.654 0.000) 4.654 5.578 ( 0.000 -3.432 0.000) 3.432 5.795 ( 0.000 6.526 0.000) 6.526 5.810 ( 0.000 0.047 0.000) 0.047 6.626 ( 0.000 -10.616 0.000) 10.616 8.107 ( 0.000 3.380 0.000) 3.380 8.204 ( 0.000 1.209 0.000) 1.209 8.356 ( 0.000 1.416 0.000) 1.416 8.658 ( 0.000 3.963 0.000) 3.963 8.679 ( 0.000 -6.153 0.000) 6.153 8.889 ( 0.000 -2.901 0.000) 2.901 8.927 ( 0.000 -6.720 0.000) 6.720 9.378 ( 0.000 9.551 0.000) 9.551 9.547 ( 0.000 1.094 0.000) 1.094 9.721 ( 0.000 3.119 0.000) 3.119 9.894 ( 0.000 4.153 0.000) 4.153 10.087 ( 0.000 -1.462 0.000) 1.462 10.315 ( 0.000 -19.021 0.000) 19.021 10.485 ( 0.000 -1.146 0.000) 1.146 10.521 ( 0.000 -1.898 0.000) 1.898 10.846 ( 0.000 -15.695 0.000) 15.695 11.067 ( 0.000 14.352 0.000) 14.352 11.262 ( 0.000 5.469 0.000) 5.469 11.756 ( 0.000 -4.590 0.000) 4.590 12.042 ( 0.000 -1.440 0.000) 1.440 19.132 ( 0.000 0.819 0.000) 0.819 19.351 ( 0.000 -3.596 0.000) 3.596 19.553 ( 0.000 6.147 0.000) 6.147 20.113 ( 0.000 -1.357 0.000) 1.357 20.180 ( 0.000 0.394 0.000) 0.394 20.271 ( 0.000 0.220 0.000) 0.220 20.272 ( 0.000 -0.429 0.000) 0.429 20.682 ( 0.000 -9.678 0.000) 9.678 21.124 ( 0.000 6.900 0.000) 6.900 21.140 ( 0.000 2.915 0.000) 2.915 21.443 ( 0.000 2.665 0.000) 2.665 21.803 ( 0.000 -1.593 0.000) 1.593 21.882 ( 0.000 0.036 0.000) 0.036 21.906 ( 0.000 -0.693 0.000) 0.693 22.162 ( 0.000 7.905 0.000) 7.905 23.076 ( 0.000 -3.251 0.000) 3.251 ======================= Grid point 10 (7/92) ======================= q-point: ( 0.11 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.639 ( 13.211 15.432 4.335) 20.771 0.669 ( 11.214 15.895 12.172) 22.947 1.204 ( 17.960 36.580 8.796) 41.689 1.444 ( 4.282 2.218 -4.524) 6.612 1.709 ( 3.759 1.089 1.231) 4.103 1.861 ( 2.986 8.022 2.042) 8.800 1.927 ( -3.769 5.192 5.014) 8.142 1.995 ( -5.429 4.464 4.811) 8.517 2.056 ( -5.743 -0.352 3.089) 6.531 2.262 ( 4.391 0.138 -1.843) 4.764 2.311 ( 4.953 1.038 -0.117) 5.062 2.450 ( -4.306 -1.417 -0.391) 4.550 2.471 ( 2.639 1.038 2.901) 4.057 2.615 ( -0.454 0.312 0.132) 0.567 2.709 ( 0.223 7.617 -0.150) 7.622 2.725 ( -1.645 2.114 0.180) 2.685 2.806 ( -0.849 9.143 1.301) 9.274 2.859 ( -6.980 0.869 -2.312) 7.404 3.011 ( 0.599 -3.439 -2.009) 4.028 3.050 ( -4.490 1.542 -3.600) 5.958 3.235 ( 1.162 3.292 -0.303) 3.504 3.336 ( 0.445 -0.538 -0.732) 1.012 3.421 ( 0.805 -5.241 -3.711) 6.472 3.605 ( 1.493 10.395 -4.353) 11.368 3.639 ( 11.578 -0.970 -0.142) 11.619 3.726 ( 0.110 3.224 0.217) 3.233 3.973 ( 2.955 -1.354 2.560) 4.137 4.129 ( 0.934 -5.237 1.688) 5.581 4.166 ( -1.049 -3.977 -1.066) 4.249 4.397 ( 0.886 -0.909 1.613) 2.052 4.410 ( 4.303 0.039 -1.642) 4.606 4.472 ( 5.753 -0.672 -0.863) 5.856 4.485 ( 1.108 -3.759 -2.369) 4.579 4.543 ( -5.675 -2.034 0.021) 6.029 4.639 ( 2.461 1.513 -0.952) 3.041 4.703 ( 3.315 -0.533 -1.049) 3.517 4.787 ( 4.620 0.699 0.346) 4.685 4.868 ( 4.014 1.387 0.784) 4.319 4.918 ( -1.650 -6.295 2.471) 6.961 5.032 ( 2.291 1.358 2.202) 3.456 5.182 ( 8.595 -3.670 0.049) 9.346 5.302 ( 1.908 -0.523 0.306) 2.002 5.330 ( -0.469 2.407 8.254) 8.611 5.461 ( -2.771 1.820 -3.387) 4.739 5.616 ( 1.309 -3.668 0.822) 3.981 5.771 ( -0.609 2.913 -1.732) 3.443 5.820 ( 2.137 5.268 -0.653) 5.722 6.347 ( -16.178 2.497 -6.367) 17.564 8.078 ( -3.021 3.516 2.272) 5.163 8.275 ( 5.765 0.363 0.077) 5.777 8.380 ( 1.987 2.411 0.684) 3.199 8.513 ( -5.825 2.036 -7.051) 9.369 8.736 ( -1.396 -5.046 1.073) 5.344 8.883 ( 0.539 1.356 -0.034) 1.459 9.028 ( 2.802 -1.703 5.538) 6.436 9.410 ( 3.172 4.325 -0.933) 5.444 9.493 ( -0.512 0.007 -8.185) 8.201 9.734 ( 0.809 4.361 2.542) 5.112 9.916 ( 2.874 -5.911 1.360) 6.712 10.143 ( 2.309 -6.516 5.266) 8.690 10.336 ( 1.667 -12.324 0.171) 12.437 10.521 ( 4.450 -1.344 -0.373) 4.664 10.612 ( 8.992 -2.103 -1.608) 9.374 10.811 ( -1.220 -13.544 -2.803) 13.885 11.096 ( 2.865 12.369 -0.143) 12.697 11.298 ( -0.799 2.709 4.914) 5.668 11.696 ( -5.117 -3.763 -2.183) 6.716 11.811 ( -10.495 8.854 -2.404) 13.940 19.137 ( 0.273 0.799 0.548) 1.007 19.354 ( -0.004 -3.454 0.493) 3.489 19.544 ( -2.256 5.481 2.037) 6.267 20.037 ( -10.049 -2.339 2.498) 10.616 20.262 ( 4.098 -0.852 -1.054) 4.316 20.319 ( 3.955 0.295 -0.306) 3.978 20.431 ( 13.095 -8.201 4.350) 16.052 20.791 ( 8.641 -7.993 -4.720) 12.682 21.078 ( -1.759 5.809 0.232) 6.074 21.258 ( 2.733 -1.245 5.843) 6.570 21.433 ( 1.080 2.679 -2.674) 3.936 21.827 ( 1.399 -3.271 -0.160) 3.561 21.847 ( -1.191 2.012 -0.687) 2.437 21.928 ( 1.531 -3.329 -0.346) 3.680 22.145 ( -1.804 7.633 -0.093) 7.844 22.702 ( -17.341 15.640 -9.151) 25.081 ======================= Grid point 11 (8/92) ======================= q-point: ( 0.22 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( 14.217 7.027 2.646) 16.078 1.001 ( 9.867 7.783 12.363) 17.629 1.511 ( 4.236 7.198 -1.272) 8.448 1.526 ( 6.900 19.070 6.910) 21.425 1.790 ( 5.914 3.668 0.521) 6.978 1.862 ( -7.813 0.711 4.366) 8.978 1.913 ( 0.970 6.919 2.441) 7.400 1.997 ( 0.100 3.676 0.857) 3.776 2.058 ( 0.263 4.922 3.716) 6.173 2.301 ( -4.061 -0.566 -2.594) 4.852 2.340 ( -2.154 -0.520 3.390) 4.050 2.409 ( 3.352 2.717 2.333) 4.905 2.502 ( -4.628 1.518 -2.340) 5.403 2.519 ( -8.945 -0.340 -0.614) 8.973 2.655 ( 0.145 3.045 1.705) 3.493 2.682 ( -4.254 6.226 -2.352) 7.899 2.765 ( -0.930 7.641 -2.951) 8.244 2.850 ( 1.794 3.106 4.867) 6.046 2.965 ( 0.716 4.161 -1.565) 4.503 3.050 ( 2.832 -0.908 -1.677) 3.414 3.205 ( -0.139 -0.273 -3.670) 3.682 3.310 ( 6.651 4.945 -6.371) 10.454 3.484 ( 2.237 -6.861 1.975) 7.482 3.594 ( 1.558 2.998 -4.657) 5.754 3.685 ( -2.457 7.006 2.568) 7.856 3.820 ( 6.264 -0.279 -3.655) 7.257 3.972 ( -3.854 2.733 -0.280) 4.733 4.136 ( 3.804 -8.114 -0.344) 8.968 4.174 ( -0.078 0.268 -0.908) 0.950 4.345 ( -2.275 -3.562 -3.618) 5.564 4.384 ( -1.901 2.207 2.778) 4.025 4.505 ( 1.797 0.720 -2.934) 3.515 4.579 ( 6.407 -1.149 -1.302) 6.638 4.653 ( 10.233 0.422 0.981) 10.289 4.729 ( 6.676 -6.347 3.995) 10.040 4.767 ( 3.167 -3.690 -1.117) 4.989 4.882 ( -2.157 -2.972 3.600) 5.143 4.886 ( 3.732 1.688 1.362) 4.316 4.970 ( 4.245 2.808 0.623) 5.128 5.124 ( 5.274 2.252 1.208) 5.861 5.204 ( -3.643 3.991 0.287) 5.411 5.348 ( -1.371 -1.401 3.088) 3.657 5.381 ( 0.432 -2.141 -2.130) 3.051 5.478 ( 5.912 -1.315 4.524) 7.560 5.638 ( 3.088 -2.202 -1.577) 4.108 5.769 ( 2.102 1.958 -2.151) 3.589 5.856 ( -0.132 2.840 -1.120) 3.055 6.029 ( -10.279 3.302 -5.131) 11.954 8.060 ( -1.671 3.504 3.141) 4.993 8.270 ( -7.539 3.723 -3.981) 9.303 8.396 ( 5.169 0.250 0.273) 5.182 8.481 ( 2.875 2.904 -1.559) 4.374 8.648 ( -5.130 0.752 -2.948) 5.964 8.855 ( -6.024 -3.063 3.268) 7.507 9.151 ( 6.559 4.196 3.666) 8.606 9.410 ( 1.058 3.751 -8.959) 9.770 9.468 ( 4.417 -3.875 -1.166) 5.991 9.803 ( 3.542 5.553 2.978) 7.228 10.017 ( 4.099 -10.697 4.353) 12.254 10.217 ( 3.185 -13.381 -3.752) 14.257 10.387 ( 0.840 -5.124 7.479) 9.104 10.632 ( 6.626 -2.263 0.819) 7.050 10.751 ( 2.750 -7.583 -2.503) 8.445 10.800 ( 6.410 -7.250 -1.645) 9.816 11.159 ( 3.540 9.296 0.618) 9.966 11.296 ( -1.980 5.691 1.146) 6.134 11.555 ( -7.584 -2.942 -1.427) 8.259 11.688 ( -3.463 3.825 0.578) 5.192 19.153 ( 0.577 0.790 0.999) 1.399 19.359 ( 0.240 -3.146 0.125) 3.157 19.514 ( -2.296 4.157 0.746) 4.807 19.846 ( -11.210 -1.816 0.997) 11.400 20.374 ( 7.381 -1.428 0.300) 7.523 20.410 ( 6.176 -0.155 -0.667) 6.214 20.675 ( 8.582 -4.682 4.582) 10.797 20.860 ( 4.234 -1.975 -3.558) 5.873 21.051 ( -2.190 5.601 1.484) 6.194 21.253 ( -6.382 -0.349 1.423) 6.548 21.472 ( 6.413 2.045 -4.452) 8.070 21.814 ( 0.078 -0.777 -0.343) 0.853 21.865 ( 1.328 1.154 -0.189) 1.769 21.951 ( 0.810 -4.369 -0.064) 4.444 22.097 ( -3.109 6.856 -0.240) 7.532 22.426 ( -7.160 8.670 -3.439) 11.758 ======================= Grid point 12 (9/92) ======================= q-point: ( 0.33 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( 7.197 4.814 -2.121) 8.915 1.242 ( 3.468 8.248 5.268) 10.383 1.539 ( 0.907 4.162 -3.860) 5.748 1.666 ( -4.205 4.801 4.209) 7.645 1.729 ( 1.854 1.207 -0.536) 2.276 1.845 ( -4.113 0.102 7.053) 8.166 1.969 ( -2.767 3.479 3.318) 5.547 1.988 ( 5.586 6.315 -9.654) 12.818 2.073 ( -2.428 8.115 4.578) 9.628 2.176 ( -0.452 5.776 -0.411) 5.808 2.265 ( -4.389 2.561 -0.704) 5.130 2.340 ( -5.666 2.893 2.714) 6.917 2.486 ( 1.750 2.378 0.394) 2.979 2.516 ( -3.014 3.389 1.317) 4.723 2.580 ( -1.059 6.281 -1.596) 6.567 2.628 ( -0.200 1.644 2.425) 2.936 2.793 ( 0.411 2.573 3.157) 4.093 2.920 ( 2.327 4.627 1.432) 5.373 2.992 ( -3.639 0.597 -3.810) 5.302 3.034 ( 0.893 9.910 2.031) 10.155 3.198 ( 2.079 0.025 -4.220) 4.704 3.425 ( 9.534 3.991 -7.588) 12.822 3.499 ( -1.227 -2.527 1.266) 3.082 3.577 ( 0.541 -0.921 -0.041) 1.069 3.684 ( -2.018 4.562 0.288) 4.997 3.741 ( -3.836 -2.087 -3.067) 5.336 4.052 ( 8.175 -0.194 1.087) 8.249 4.116 ( -2.277 -3.570 0.049) 4.234 4.233 ( 4.410 -2.220 -2.341) 5.464 4.296 ( -0.011 2.194 -2.226) 3.126 4.411 ( -1.682 -0.024 5.465) 5.718 4.498 ( 3.198 2.414 -3.977) 5.645 4.656 ( -0.388 -2.738 0.427) 2.798 4.784 ( 4.089 -6.696 1.944) 8.083 4.816 ( 5.701 -4.512 -2.449) 7.672 4.899 ( 2.064 4.509 3.860) 6.284 4.914 ( 4.444 -4.519 3.456) 7.219 4.977 ( 5.135 2.193 -0.800) 5.640 5.046 ( 2.948 1.435 1.029) 3.436 5.186 ( 3.497 4.404 0.270) 5.630 5.237 ( 2.645 3.010 1.730) 4.365 5.285 ( -2.910 1.854 2.653) 4.353 5.412 ( 2.299 -6.174 -4.958) 8.245 5.563 ( -1.130 -0.001 2.397) 2.650 5.698 ( -5.402 -3.691 -3.317) 7.335 5.721 ( 3.580 1.961 0.931) 4.186 5.807 ( 2.533 -0.722 -1.364) 2.966 5.948 ( 0.102 5.951 -1.948) 6.262 8.062 ( -1.461 1.574 0.333) 2.173 8.126 ( -4.259 5.074 0.751) 6.667 8.405 ( -5.324 3.073 -2.899) 6.796 8.477 ( 0.744 4.829 -2.540) 5.507 8.603 ( 2.162 0.679 0.890) 2.435 8.757 ( -5.566 -6.008 0.805) 8.230 9.311 ( 2.208 4.674 5.803) 7.772 9.371 ( 6.052 5.323 -7.797) 11.214 9.550 ( 4.879 -5.802 -0.644) 7.608 9.915 ( 5.300 4.901 2.734) 7.719 10.115 ( 1.516 -8.021 2.251) 8.468 10.210 ( 1.558 -8.814 -2.566) 9.311 10.495 ( 3.254 -10.075 4.564) 11.529 10.700 ( -1.558 -13.314 -1.732) 13.516 10.771 ( 3.797 -0.795 0.790) 3.959 10.894 ( 2.807 -6.507 -1.734) 7.295 11.220 ( 1.532 5.962 1.052) 6.245 11.298 ( 2.102 6.540 -0.040) 6.870 11.424 ( -3.883 1.512 -0.220) 4.173 11.649 ( -2.139 1.945 0.514) 2.937 19.176 ( 0.773 0.709 1.047) 1.482 19.363 ( 0.198 -2.872 -0.155) 2.883 19.479 ( -1.443 3.015 -0.289) 3.355 19.668 ( -8.199 -0.700 0.263) 8.233 20.512 ( 6.962 -1.916 -0.740) 7.259 20.536 ( 7.379 -0.839 1.361) 7.550 20.806 ( 2.948 -0.618 -0.300) 3.027 20.902 ( 0.879 -0.466 0.562) 1.142 21.036 ( -1.434 6.138 2.840) 6.913 21.114 ( -7.399 0.731 -0.315) 7.442 21.554 ( 6.789 -0.154 -4.204) 7.987 21.834 ( 1.723 0.728 0.545) 1.948 21.886 ( 1.233 0.842 -0.618) 1.616 21.943 ( -1.693 0.757 0.427) 1.903 22.030 ( -3.657 5.861 -0.478) 6.924 22.327 ( -1.998 -0.146 -1.154) 2.312 ======================= Grid point 13 (10/92) ======================= q-point: ( 0.44 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( -11.425 21.157 -7.289) 25.125 1.234 ( 0.882 4.302 -2.637) 5.123 1.539 ( -3.416 1.034 -0.160) 3.572 1.602 ( 2.762 -4.726 -1.552) 5.690 1.850 ( 2.687 0.499 4.239) 5.044 1.884 ( 1.610 2.421 4.984) 5.770 1.932 ( -1.990 0.672 0.579) 2.179 1.989 ( 2.388 -1.891 -3.658) 4.760 2.109 ( -1.520 8.995 3.792) 9.879 2.230 ( 4.515 8.730 -3.616) 10.473 2.243 ( 2.208 8.577 2.316) 9.154 2.330 ( -0.694 11.133 2.994) 11.549 2.417 ( -5.267 5.964 -1.047) 8.025 2.500 ( 0.793 -1.170 1.779) 2.272 2.574 ( -0.792 -1.861 -0.282) 2.042 2.714 ( 4.964 3.391 2.752) 6.612 2.806 ( -2.574 -0.126 2.038) 3.285 2.877 ( -1.463 5.190 -3.614) 6.491 2.927 ( -4.458 7.140 -0.403) 8.427 3.028 ( 0.406 10.197 -0.534) 10.219 3.176 ( 0.065 2.098 -2.520) 3.280 3.466 ( 1.410 3.504 -3.246) 4.980 3.514 ( -1.029 -4.211 3.236) 5.409 3.566 ( 0.087 -1.014 -3.893) 4.024 3.593 ( -1.911 -1.040 1.702) 2.763 3.780 ( 3.002 1.636 0.324) 3.435 4.029 ( -1.886 -2.448 -2.150) 3.765 4.192 ( 0.763 -7.160 -1.265) 7.310 4.267 ( 2.421 0.462 0.261) 2.478 4.308 ( 1.922 2.981 1.251) 3.761 4.436 ( 0.698 3.489 1.839) 4.005 4.536 ( 1.811 1.782 -0.901) 2.696 4.614 ( -2.283 0.348 0.016) 2.309 4.827 ( 0.745 -5.790 -1.443) 6.013 4.903 ( 1.976 -2.714 2.454) 4.158 4.952 ( 0.938 -3.845 -0.143) 3.960 5.007 ( 3.075 0.559 1.080) 3.307 5.051 ( 3.099 2.432 -0.139) 3.942 5.112 ( 3.463 0.906 0.944) 3.702 5.223 ( -2.011 3.880 -2.521) 5.045 5.234 ( -1.650 1.783 1.540) 2.876 5.317 ( 2.806 0.011 2.581) 3.812 5.449 ( 5.356 -2.291 -3.586) 6.840 5.473 ( -5.246 -2.683 0.748) 5.939 5.654 ( -1.971 -5.150 1.595) 5.740 5.796 ( 2.609 2.979 0.340) 3.974 5.827 ( 1.276 2.149 -0.888) 2.653 5.921 ( -1.066 3.984 -1.399) 4.355 8.011 ( -1.316 1.668 -1.192) 2.436 8.129 ( -0.250 3.776 3.285) 5.011 8.278 ( -3.184 3.714 -3.029) 5.753 8.452 ( -0.636 7.294 -1.261) 7.430 8.657 ( 0.616 -2.087 2.888) 3.616 8.688 ( -1.182 -5.166 -1.906) 5.632 9.315 ( -0.177 7.679 -0.736) 7.716 9.476 ( 4.193 4.279 0.220) 5.995 9.613 ( 1.828 -7.423 0.019) 7.645 10.030 ( 3.505 -3.296 0.896) 4.894 10.129 ( 1.138 1.468 0.916) 2.071 10.221 ( -1.209 -1.968 -0.077) 2.312 10.568 ( 1.445 -12.464 0.819) 12.574 10.664 ( 0.660 -15.722 -0.707) 15.751 10.782 ( -1.726 -7.435 -2.552) 8.048 10.897 ( -0.678 -4.142 1.496) 4.456 11.259 ( 2.728 5.766 -0.691) 6.416 11.303 ( -2.172 2.547 1.551) 3.689 11.449 ( 3.835 4.950 0.189) 6.264 11.605 ( -2.561 3.701 -0.143) 4.502 19.197 ( 0.438 0.559 0.490) 0.862 19.363 ( -0.034 -2.660 -0.116) 2.663 19.462 ( -0.029 2.377 -0.480) 2.425 19.560 ( -3.388 0.107 0.210) 3.396 20.612 ( 3.814 -3.285 -0.357) 5.047 20.689 ( 6.698 -1.159 2.258) 7.163 20.811 ( -0.993 2.105 -2.534) 3.441 20.877 ( -2.223 0.984 0.227) 2.442 20.949 ( -5.271 0.274 -0.340) 5.289 21.101 ( 0.720 7.401 2.131) 7.735 21.629 ( 3.674 -4.519 -1.617) 6.044 21.875 ( -0.426 3.647 -0.143) 3.674 21.882 ( 1.495 2.636 0.319) 3.047 21.930 ( 0.048 2.093 0.446) 2.140 21.959 ( -3.076 4.878 -0.580) 5.797 22.304 ( -0.218 -4.110 -0.251) 4.123 ======================= Grid point 18 (11/92) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( 0.000 22.431 0.000) 22.431 0.950 ( 0.000 23.301 0.000) 23.301 1.461 ( 0.000 0.576 0.000) 0.576 1.565 ( 0.000 1.647 0.000) 1.647 1.742 ( 0.000 26.946 0.000) 26.946 1.892 ( 0.000 -2.065 0.000) 2.065 2.032 ( 0.000 -0.632 0.000) 0.632 2.124 ( 0.000 3.556 0.000) 3.556 2.194 ( 0.000 0.734 0.000) 0.734 2.263 ( 0.000 13.733 0.000) 13.733 2.306 ( 0.000 3.442 0.000) 3.442 2.412 ( 0.000 3.701 0.000) 3.701 2.587 ( 0.000 -2.486 0.000) 2.486 2.596 ( 0.000 3.580 0.000) 3.580 2.689 ( 0.000 -2.380 0.000) 2.380 2.821 ( 0.000 3.400 0.000) 3.400 2.849 ( 0.000 0.895 0.000) 0.895 2.978 ( 0.000 0.318 0.000) 0.318 3.099 ( 0.000 -6.116 0.000) 6.116 3.157 ( 0.000 11.999 0.000) 11.999 3.332 ( 0.000 8.820 0.000) 8.820 3.377 ( 0.000 1.021 0.000) 1.021 3.427 ( 0.000 12.479 0.000) 12.479 3.577 ( 0.000 6.337 0.000) 6.337 3.707 ( 0.000 -5.136 0.000) 5.136 3.881 ( 0.000 11.407 0.000) 11.407 3.942 ( 0.000 -0.592 0.000) 0.592 3.992 ( 0.000 0.534 0.000) 0.534 4.071 ( 0.000 -6.707 0.000) 6.707 4.336 ( 0.000 -4.575 0.000) 4.575 4.347 ( 0.000 -1.083 0.000) 1.083 4.424 ( 0.000 0.479 0.000) 0.479 4.431 ( 0.000 4.296 0.000) 4.296 4.566 ( 0.000 -6.024 0.000) 6.024 4.671 ( 0.000 1.966 0.000) 1.966 4.707 ( 0.000 -0.566 0.000) 0.566 4.775 ( 0.000 -3.363 0.000) 3.363 4.839 ( 0.000 -3.138 0.000) 3.138 4.840 ( 0.000 -1.052 0.000) 1.052 4.920 ( 0.000 7.114 0.000) 7.114 5.123 ( 0.000 5.962 0.000) 5.962 5.273 ( 0.000 -2.846 0.000) 2.846 5.299 ( 0.000 -2.731 0.000) 2.731 5.502 ( 0.000 -4.840 0.000) 4.840 5.585 ( 0.000 2.432 0.000) 2.432 5.852 ( 0.000 4.623 0.000) 4.623 5.908 ( 0.000 4.705 0.000) 4.705 6.347 ( 0.000 -18.187 0.000) 18.187 8.174 ( 0.000 3.322 0.000) 3.322 8.234 ( 0.000 1.735 0.000) 1.735 8.391 ( 0.000 2.268 0.000) 2.268 8.556 ( 0.000 -6.031 0.000) 6.031 8.704 ( 0.000 -1.953 0.000) 1.953 8.790 ( 0.000 -7.420 0.000) 7.420 8.908 ( 0.000 8.411 0.000) 8.411 9.546 ( 0.000 6.224 0.000) 6.224 9.608 ( 0.000 6.140 0.000) 6.140 9.774 ( 0.000 1.442 0.000) 1.442 9.944 ( 0.000 -16.860 0.000) 16.860 9.995 ( 0.000 4.340 0.000) 4.340 10.056 ( 0.000 -1.518 0.000) 1.518 10.455 ( 0.000 -1.926 0.000) 1.926 10.467 ( 0.000 -4.771 0.000) 4.771 10.538 ( 0.000 -15.116 0.000) 15.116 11.322 ( 0.000 11.918 0.000) 11.918 11.338 ( 0.000 3.035 0.000) 3.035 11.658 ( 0.000 -4.651 0.000) 4.651 11.982 ( 0.000 -5.161 0.000) 5.161 19.155 ( 0.000 1.542 0.000) 1.542 19.288 ( 0.000 -3.090 0.000) 3.090 19.684 ( 0.000 7.699 0.000) 7.699 20.070 ( 0.000 -3.445 0.000) 3.445 20.192 ( 0.000 0.866 0.000) 0.866 20.260 ( 0.000 -0.889 0.000) 0.889 20.280 ( 0.000 0.850 0.000) 0.850 20.503 ( 0.000 -8.715 0.000) 8.715 21.197 ( 0.000 2.707 0.000) 2.707 21.226 ( 0.000 3.540 0.000) 3.540 21.510 ( 0.000 4.171 0.000) 4.171 21.750 ( 0.000 -3.821 0.000) 3.821 21.896 ( 0.000 1.302 0.000) 1.302 21.906 ( 0.000 0.711 0.000) 0.711 22.357 ( 0.000 12.260 0.000) 12.260 22.983 ( 0.000 -6.764 0.000) 6.764 ======================= Grid point 19 (12/92) ======================= q-point: ( 0.11 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( 5.514 18.184 4.803) 19.600 1.026 ( 5.968 19.993 3.426) 21.145 1.486 ( 4.697 3.623 0.164) 5.934 1.708 ( 5.563 0.011 3.841) 6.761 1.804 ( -0.236 4.161 2.298) 4.760 1.922 ( 3.539 2.585 1.402) 4.602 1.988 ( -4.911 7.559 5.497) 10.558 2.096 ( 1.536 12.896 1.496) 13.073 2.176 ( 1.937 5.705 -5.566) 8.203 2.301 ( 2.123 5.491 2.504) 6.397 2.350 ( 3.205 4.389 2.449) 5.961 2.486 ( -3.744 2.143 -1.258) 4.494 2.508 ( 1.463 4.855 0.767) 5.128 2.592 ( 0.707 -1.892 -0.798) 2.172 2.728 ( 3.073 -2.613 2.329) 4.658 2.804 ( -2.947 3.415 1.087) 4.640 2.843 ( 1.313 1.342 -2.015) 2.754 2.907 ( -7.482 0.493 -1.716) 7.692 3.059 ( -3.160 0.540 -6.051) 6.848 3.139 ( 1.196 6.663 -0.710) 6.807 3.238 ( 1.114 2.621 4.162) 5.044 3.402 ( -6.112 -1.236 -3.374) 7.090 3.478 ( -1.654 15.180 -0.341) 15.274 3.652 ( 13.573 4.093 1.999) 14.317 3.736 ( 0.562 4.544 -3.440) 5.726 3.889 ( -2.270 10.556 2.547) 11.093 3.963 ( 3.036 -2.070 1.461) 3.954 4.022 ( -2.713 -7.655 -1.720) 8.302 4.066 ( 5.307 -2.587 2.462) 6.397 4.311 ( -1.445 -6.630 0.323) 6.794 4.420 ( 0.757 1.088 -4.453) 4.646 4.445 ( 2.871 -1.102 1.011) 3.237 4.461 ( 2.695 0.586 1.626) 3.202 4.502 ( 1.271 -3.152 1.395) 3.674 4.666 ( 0.004 1.391 -1.571) 2.098 4.715 ( 2.357 2.138 -2.953) 4.342 4.798 ( 4.659 -0.704 -1.342) 4.899 4.844 ( 0.192 2.312 1.524) 2.775 4.958 ( 5.598 -3.997 1.354) 7.011 4.991 ( 7.229 2.369 0.409) 7.618 5.168 ( 4.399 3.343 -0.799) 5.582 5.284 ( 2.332 -1.710 1.262) 3.155 5.337 ( -0.827 -2.316 6.774) 7.206 5.478 ( -3.815 0.245 -2.961) 4.836 5.543 ( -0.621 -3.995 -0.254) 4.051 5.849 ( -0.233 5.189 0.011) 5.194 5.913 ( 0.294 3.336 -0.260) 3.359 6.218 ( -9.101 -13.210 -5.020) 16.809 8.150 ( -1.735 3.892 0.713) 4.321 8.290 ( 4.273 0.736 0.467) 4.361 8.436 ( 4.911 3.353 0.645) 5.981 8.533 ( -2.493 -1.293 -4.554) 5.350 8.680 ( -1.409 -0.486 0.176) 1.501 8.901 ( -1.363 2.999 0.143) 3.297 8.934 ( 10.359 -7.252 6.483) 14.211 9.456 ( -11.600 0.176 -1.356) 11.680 9.546 ( 0.827 4.935 -1.996) 5.387 9.803 ( 1.635 1.847 2.398) 3.440 9.908 ( 1.516 -6.317 -4.124) 7.695 9.963 ( -0.681 0.281 -2.406) 2.517 10.181 ( 4.272 -5.349 4.719) 8.315 10.446 ( 0.185 -8.947 1.809) 9.130 10.562 ( 8.082 -3.619 -1.455) 8.974 10.575 ( 4.883 -7.193 -1.063) 8.759 11.319 ( -0.563 7.451 -0.245) 7.476 11.344 ( -0.669 4.864 3.149) 5.833 11.611 ( -4.041 -3.799 -1.217) 5.678 11.878 ( -6.329 -1.091 -4.323) 7.741 19.159 ( 0.228 1.554 0.595) 1.679 19.292 ( 0.027 -3.038 0.772) 3.135 19.657 ( -3.459 6.435 1.366) 7.432 19.976 ( -9.723 -3.958 1.833) 10.657 20.250 ( 3.553 -0.302 -0.836) 3.662 20.297 ( 5.289 -1.930 1.328) 5.785 20.381 ( 10.471 1.082 1.444) 10.626 20.634 ( 11.399 -7.842 -2.377) 14.039 21.174 ( -1.386 3.991 0.008) 4.225 21.264 ( 0.040 0.685 4.076) 4.133 21.500 ( 0.138 4.024 -1.577) 4.325 21.753 ( 0.741 -4.585 -1.265) 4.814 21.887 ( 0.059 2.081 -0.347) 2.110 21.906 ( 0.089 0.457 -0.489) 0.675 22.332 ( -2.712 11.624 0.061) 11.936 22.820 ( -11.621 -0.476 -5.425) 12.833 ======================= Grid point 20 (13/92) ======================= q-point: ( 0.22 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( 7.208 11.746 4.230) 14.416 1.202 ( 6.503 12.387 6.341) 15.360 1.584 ( 3.812 4.406 2.300) 6.264 1.751 ( -3.461 -1.493 1.082) 3.921 1.771 ( -0.922 -1.048 2.232) 2.633 1.944 ( 0.449 -5.122 2.152) 5.574 1.977 ( -5.958 7.909 1.126) 9.966 2.142 ( 3.714 7.097 -6.090) 10.062 2.305 ( 6.784 18.085 3.334) 19.601 2.330 ( -1.870 5.458 -3.736) 6.874 2.362 ( -3.036 3.543 7.008) 8.419 2.474 ( -2.997 1.201 0.074) 3.229 2.487 ( 0.946 1.190 4.524) 4.772 2.555 ( -4.772 4.615 -3.273) 7.402 2.733 ( -3.943 3.612 1.464) 5.544 2.783 ( -2.020 3.393 -1.472) 4.214 2.850 ( 2.366 -3.018 1.392) 4.080 2.864 ( 4.873 4.433 -0.884) 6.646 2.991 ( 3.151 0.859 -3.928) 5.109 3.191 ( 4.632 6.961 1.605) 8.514 3.251 ( -1.655 4.474 -5.434) 7.231 3.372 ( 4.535 -1.209 5.978) 7.600 3.458 ( 0.474 11.000 -1.496) 11.112 3.672 ( -3.163 4.530 -2.298) 5.984 3.817 ( 0.774 5.655 -3.710) 6.807 3.847 ( -2.774 3.370 0.663) 4.415 3.966 ( 1.296 -4.943 -1.681) 5.379 4.021 ( 2.215 -0.895 -0.970) 2.579 4.193 ( 4.854 0.375 0.833) 4.939 4.271 ( -1.863 -3.317 1.919) 4.261 4.410 ( 2.803 -1.057 0.855) 3.115 4.491 ( 1.021 -0.513 -1.194) 1.653 4.564 ( 3.481 -0.290 0.814) 3.587 4.623 ( 8.208 -2.694 3.669) 9.386 4.683 ( 5.262 -0.584 -2.378) 5.804 4.706 ( 0.462 2.276 -3.952) 4.583 4.885 ( 3.874 0.200 0.899) 3.982 4.902 ( 4.337 1.064 2.577) 5.156 5.048 ( 2.449 2.351 1.517) 3.718 5.130 ( 7.546 -0.844 -1.000) 7.659 5.237 ( 5.446 -2.900 -3.353) 7.023 5.273 ( -3.645 -0.196 -1.098) 3.812 5.375 ( -5.363 -0.023 2.604) 5.961 5.459 ( 4.812 -1.166 6.672) 8.308 5.581 ( 5.248 -3.674 -0.617) 6.436 5.825 ( -6.320 -3.930 -2.122) 7.739 5.854 ( -2.382 2.367 -2.960) 4.477 6.052 ( -1.524 0.179 -2.485) 2.920 8.133 ( -1.089 4.118 0.811) 4.336 8.343 ( -2.421 1.459 -1.247) 3.090 8.433 ( 0.419 4.900 -1.165) 5.054 8.552 ( 4.815 4.723 1.126) 6.838 8.653 ( -1.307 -0.206 -0.722) 1.508 8.813 ( -8.013 -0.576 -2.024) 8.285 9.200 ( 8.153 -0.909 5.973) 10.148 9.309 ( 0.785 -8.064 0.154) 8.104 9.548 ( 2.791 4.799 -4.264) 7.000 9.870 ( 2.315 -1.683 3.104) 4.223 9.906 ( 1.998 3.490 -2.962) 4.994 9.969 ( 4.093 -9.642 -2.534) 10.777 10.241 ( -1.062 -10.169 3.139) 10.695 10.493 ( 1.627 -9.717 2.925) 10.278 10.666 ( 5.316 -2.029 -0.634) 5.725 10.710 ( 7.186 -3.677 -1.164) 8.156 11.300 ( -2.295 3.479 2.551) 4.886 11.370 ( 0.811 3.492 0.908) 3.698 11.514 ( -3.699 0.321 -1.388) 3.964 11.743 ( -3.469 1.069 -3.268) 4.884 19.175 ( 0.507 1.498 1.006) 1.875 19.302 ( 0.212 -2.888 0.649) 2.968 19.596 ( -3.882 4.417 0.584) 5.909 19.801 ( -9.795 -2.785 0.914) 10.224 20.351 ( 7.114 -0.727 -0.192) 7.154 20.397 ( 5.890 -1.188 -0.704) 6.049 20.632 ( 11.381 -0.044 3.888) 12.027 20.796 ( 8.421 -4.076 -2.874) 9.787 21.149 ( -2.054 4.168 1.426) 4.861 21.251 ( -5.017 0.151 1.460) 5.227 21.508 ( 2.583 1.694 -1.932) 3.643 21.756 ( 1.426 -5.296 -0.984) 5.572 21.903 ( 1.258 2.160 -0.569) 2.564 21.912 ( 1.619 0.709 0.514) 1.841 22.263 ( -4.615 10.087 0.004) 11.092 22.551 ( -10.875 3.715 -4.287) 12.265 ======================= Grid point 21 (14/92) ======================= q-point: ( 0.33 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( 5.491 6.769 -1.076) 8.783 1.392 ( 5.972 6.540 9.182) 12.757 1.635 ( -1.979 4.941 -1.867) 5.641 1.720 ( 0.128 1.607 -2.191) 2.720 1.767 ( -5.946 3.786 0.548) 7.071 1.848 ( -1.209 0.161 6.456) 6.570 1.966 ( -2.469 -2.271 0.484) 3.390 2.035 ( -5.591 0.263 -4.760) 7.348 2.233 ( -4.765 3.309 -2.898) 6.485 2.290 ( -4.644 0.074 0.692) 4.696 2.387 ( 1.642 8.197 -1.840) 8.560 2.440 ( 4.173 11.037 4.375) 12.584 2.530 ( -0.135 1.084 1.034) 1.504 2.606 ( -1.820 8.593 2.208) 9.057 2.664 ( 4.143 2.344 1.064) 4.878 2.751 ( -3.412 9.535 -1.771) 10.280 2.827 ( -1.385 0.843 1.436) 2.165 2.989 ( 4.058 4.616 -1.298) 6.282 3.086 ( 7.247 2.380 -1.542) 7.782 3.191 ( -0.140 3.734 -0.699) 3.802 3.265 ( -0.664 11.156 -0.032) 11.176 3.463 ( -0.210 1.137 2.623) 2.867 3.541 ( 9.206 5.823 -1.974) 11.070 3.589 ( -3.250 2.096 -0.100) 3.868 3.682 ( -11.966 -1.070 -1.015) 12.056 3.789 ( 2.153 4.322 -3.949) 6.237 4.028 ( 1.227 -2.870 0.307) 3.136 4.063 ( 5.317 0.449 0.610) 5.371 4.191 ( -1.473 0.838 -5.042) 5.319 4.348 ( 4.292 1.002 3.943) 5.914 4.465 ( -0.174 2.128 0.295) 2.155 4.509 ( 3.800 -0.642 1.985) 4.335 4.639 ( 1.908 1.157 -1.622) 2.758 4.675 ( 2.925 -3.533 1.102) 4.717 4.739 ( 5.265 -1.765 -3.531) 6.580 4.845 ( 6.110 -2.519 2.441) 7.045 4.966 ( 2.833 1.527 2.828) 4.284 5.008 ( 4.316 1.003 1.259) 4.606 5.073 ( 0.266 1.425 0.647) 1.587 5.207 ( 2.188 -5.638 -4.208) 7.368 5.261 ( 4.130 -1.290 -0.942) 4.428 5.309 ( 6.034 -0.208 -1.400) 6.198 5.315 ( -4.426 1.012 3.297) 5.611 5.552 ( -2.076 -1.099 3.619) 4.315 5.610 ( -4.710 -5.338 -3.722) 8.033 5.724 ( 5.400 -3.304 2.287) 6.732 5.831 ( 0.744 4.643 -2.320) 5.243 6.034 ( -0.473 2.588 -1.284) 2.928 8.110 ( -1.841 3.580 -1.040) 4.158 8.243 ( -4.489 6.191 1.276) 7.753 8.467 ( -2.139 2.587 0.505) 3.394 8.570 ( -0.951 3.562 -2.346) 4.370 8.630 ( -5.004 0.879 0.798) 5.143 8.661 ( 1.578 -0.801 -2.745) 3.266 9.331 ( 6.767 -4.630 0.950) 8.254 9.439 ( 1.460 5.615 7.693) 9.635 9.581 ( 7.278 5.066 -7.373) 11.533 9.906 ( 0.622 -4.888 -2.254) 5.419 9.968 ( 5.685 -9.196 2.864) 11.184 10.052 ( 5.656 -2.261 -0.104) 6.092 10.248 ( -0.180 -14.332 1.944) 14.464 10.526 ( -0.258 -7.517 -0.180) 7.523 10.697 ( -2.133 -6.218 -2.822) 7.153 10.781 ( 0.769 -3.971 2.592) 4.804 11.302 ( 0.345 3.018 2.119) 3.703 11.374 ( -0.446 1.491 0.226) 1.572 11.494 ( 2.276 5.661 -0.557) 6.127 11.683 ( -0.950 1.037 -1.472) 2.036 19.195 ( 0.616 1.324 0.972) 1.754 19.311 ( 0.211 -2.671 0.285) 2.694 19.535 ( -2.524 2.875 -0.319) 3.839 19.650 ( -6.901 -1.203 0.327) 7.013 20.479 ( 6.495 -1.247 -1.006) 6.690 20.513 ( 6.801 -1.449 1.004) 7.026 20.819 ( 5.923 1.628 0.030) 6.143 20.893 ( 3.404 -0.567 -0.416) 3.476 21.098 ( -7.053 1.648 0.573) 7.266 21.183 ( 0.129 4.958 2.458) 5.535 21.523 ( 1.673 -2.483 -3.979) 4.979 21.800 ( 2.786 -5.268 1.334) 6.107 21.927 ( 2.119 3.156 -0.327) 3.816 21.963 ( 2.468 1.767 0.786) 3.136 22.169 ( -5.300 8.286 -0.152) 9.838 22.351 ( -7.300 2.182 -2.314) 7.963 ======================= Grid point 22 (15/92) ======================= q-point: ( 0.44 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( 0.774 6.226 0.333) 6.283 1.426 ( -7.112 18.545 -6.058) 20.765 1.518 ( 1.685 -2.610 -1.303) 3.369 1.601 ( -4.689 3.248 -0.237) 5.709 1.868 ( 3.018 1.491 5.774) 6.683 1.916 ( -0.388 1.276 4.744) 4.928 1.945 ( 2.420 0.623 1.168) 2.759 1.972 ( 0.343 0.341 -2.294) 2.344 2.150 ( -2.138 -1.273 -0.515) 2.541 2.259 ( -0.611 -3.618 2.112) 4.233 2.463 ( -2.798 -1.619 0.115) 3.234 2.468 ( 7.461 10.843 -2.688) 13.434 2.516 ( -1.984 -1.217 0.536) 2.389 2.611 ( -3.888 13.859 -2.154) 14.554 2.665 ( 2.678 11.079 0.612) 11.415 2.762 ( 1.806 3.040 1.831) 3.982 2.832 ( -0.418 3.374 2.505) 4.222 3.012 ( 1.641 10.285 -2.295) 10.665 3.088 ( -3.698 5.743 -1.309) 6.955 3.200 ( 0.699 3.277 -1.210) 3.562 3.292 ( 4.685 12.749 -1.700) 13.689 3.438 ( -8.069 -2.661 3.227) 9.088 3.482 ( -1.381 -3.021 -0.446) 3.352 3.581 ( -0.676 3.732 1.848) 4.219 3.619 ( 1.906 5.961 -3.739) 7.290 3.828 ( 2.577 1.910 0.618) 3.267 4.029 ( -0.972 1.156 0.445) 1.574 4.084 ( -2.059 -1.946 -4.186) 5.055 4.184 ( 3.940 -2.078 1.355) 4.656 4.440 ( 1.819 5.184 1.812) 5.785 4.486 ( 1.051 -0.256 -0.240) 1.108 4.573 ( 1.537 1.806 0.939) 2.551 4.643 ( 0.032 1.147 0.636) 1.311 4.720 ( 0.973 -4.815 -2.381) 5.459 4.816 ( 3.818 -2.738 0.917) 4.786 4.890 ( -0.530 -1.644 -0.853) 1.926 5.047 ( 3.777 0.777 0.121) 3.858 5.067 ( 0.309 -0.196 3.152) 3.173 5.108 ( 1.213 -1.090 0.681) 1.767 5.191 ( -0.892 -6.509 -2.091) 6.895 5.280 ( 0.591 2.159 0.991) 2.448 5.321 ( 3.262 1.070 -2.569) 4.288 5.420 ( -3.450 -1.181 -0.154) 3.650 5.459 ( 5.322 -0.918 0.241) 5.406 5.575 ( -4.721 -1.645 1.734) 5.292 5.792 ( 0.419 -3.193 -0.046) 3.221 5.880 ( 5.439 3.486 0.499) 6.479 5.987 ( -3.245 2.146 -1.415) 4.140 8.061 ( -1.356 3.637 -0.941) 3.994 8.215 ( -1.293 4.411 2.106) 5.056 8.368 ( -3.099 5.318 -2.286) 6.566 8.535 ( -2.138 -6.610 1.079) 7.031 8.616 ( 1.201 8.031 -0.533) 8.138 8.674 ( 0.875 1.066 -0.956) 1.678 9.446 ( 3.565 0.159 -1.020) 3.712 9.499 ( 0.615 5.277 4.465) 6.939 9.626 ( 1.797 7.837 -2.601) 8.451 9.891 ( 0.006 -8.152 -1.226) 8.244 10.100 ( 4.115 -10.039 0.937) 10.890 10.161 ( 3.461 -2.783 2.871) 5.288 10.292 ( 5.109 -15.955 -0.584) 16.763 10.474 ( -4.725 -1.588 -0.914) 5.067 10.567 ( -5.417 -13.248 -2.583) 14.544 10.805 ( -0.441 -5.590 1.850) 5.905 11.338 ( 1.331 3.329 0.549) 3.627 11.376 ( 0.028 3.640 0.322) 3.654 11.541 ( 2.057 4.684 -0.024) 5.116 11.662 ( -0.507 1.822 -0.457) 1.945 19.212 ( 0.322 1.092 0.425) 1.215 19.315 ( 0.049 -2.449 0.042) 2.450 19.503 ( -0.548 1.990 -0.409) 2.104 19.561 ( -2.775 -0.097 0.206) 2.784 20.563 ( 3.005 -1.628 -0.473) 3.450 20.642 ( 4.575 -3.244 1.222) 5.740 20.881 ( 2.389 3.509 -1.152) 4.399 20.903 ( -0.124 1.928 -1.236) 2.294 20.961 ( -6.442 2.205 0.556) 6.832 21.261 ( 2.272 8.743 3.317) 9.623 21.499 ( 0.127 -8.298 -3.046) 8.840 21.859 ( 1.615 -5.466 1.023) 5.791 21.973 ( 2.583 5.636 0.043) 6.200 22.007 ( 1.662 4.819 0.146) 5.099 22.073 ( -4.449 6.590 -0.098) 7.952 22.239 ( -2.856 -1.768 -0.799) 3.453 ======================= Grid point 27 (16/92) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( 0.000 16.679 0.000) 16.679 1.359 ( 0.000 20.012 0.000) 20.012 1.439 ( 0.000 -3.517 0.000) 3.517 1.607 ( 0.000 3.676 0.000) 3.676 1.686 ( 0.000 -13.650 0.000) 13.650 1.756 ( 0.000 -11.963 0.000) 11.963 2.175 ( 0.000 3.260 0.000) 3.260 2.201 ( 0.000 0.015 0.000) 0.015 2.384 ( 0.000 7.801 0.000) 7.801 2.397 ( 0.000 3.599 0.000) 3.599 2.408 ( 0.000 13.686 0.000) 13.686 2.473 ( 0.000 -1.630 0.000) 1.630 2.509 ( 0.000 -5.352 0.000) 5.352 2.558 ( 0.000 -0.208 0.000) 0.208 2.784 ( 0.000 5.172 0.000) 5.172 2.897 ( 0.000 -6.815 0.000) 6.815 2.913 ( 0.000 4.852 0.000) 4.852 2.996 ( 0.000 -4.225 0.000) 4.225 3.000 ( 0.000 18.283 0.000) 18.283 3.329 ( 0.000 -3.258 0.000) 3.258 3.418 ( 0.000 1.890 0.000) 1.890 3.439 ( 0.000 1.659 0.000) 1.659 3.500 ( 0.000 -0.834 0.000) 0.834 3.501 ( 0.000 -8.517 0.000) 8.517 3.772 ( 0.000 9.230 0.000) 9.230 3.884 ( 0.000 -4.193 0.000) 4.193 3.955 ( 0.000 1.970 0.000) 1.970 4.004 ( 0.000 -2.478 0.000) 2.478 4.165 ( 0.000 10.346 0.000) 10.346 4.275 ( 0.000 -2.613 0.000) 2.613 4.350 ( 0.000 2.499 0.000) 2.499 4.439 ( 0.000 -6.228 0.000) 6.228 4.495 ( 0.000 5.468 0.000) 5.468 4.540 ( 0.000 7.366 0.000) 7.366 4.615 ( 0.000 -6.902 0.000) 6.902 4.673 ( 0.000 -4.238 0.000) 4.238 4.736 ( 0.000 2.702 0.000) 2.702 4.783 ( 0.000 -2.742 0.000) 2.742 4.941 ( 0.000 5.860 0.000) 5.860 5.006 ( 0.000 0.262 0.000) 0.262 5.207 ( 0.000 -2.821 0.000) 2.821 5.216 ( 0.000 -3.858 0.000) 3.858 5.246 ( 0.000 7.476 0.000) 7.476 5.391 ( 0.000 -7.041 0.000) 7.041 5.675 ( 0.000 9.008 0.000) 9.008 5.911 ( 0.000 -9.799 0.000) 9.799 5.949 ( 0.000 4.550 0.000) 4.550 6.029 ( 0.000 -8.797 0.000) 8.797 8.228 ( 0.000 2.379 0.000) 2.379 8.254 ( 0.000 -0.074 0.000) 0.074 8.438 ( 0.000 2.367 0.000) 2.367 8.475 ( 0.000 -2.427 0.000) 2.427 8.643 ( 0.000 -2.249 0.000) 2.249 8.668 ( 0.000 -4.788 0.000) 4.788 9.161 ( 0.000 16.658 0.000) 16.658 9.497 ( 0.000 -17.797 0.000) 17.797 9.648 ( 0.000 5.670 0.000) 5.670 9.748 ( 0.000 -4.106 0.000) 4.106 9.878 ( 0.000 9.330 0.000) 9.330 10.023 ( 0.000 -3.594 0.000) 3.594 10.097 ( 0.000 5.340 0.000) 5.340 10.240 ( 0.000 -11.847 0.000) 11.847 10.422 ( 0.000 -1.096 0.000) 1.096 10.430 ( 0.000 -2.026 0.000) 2.026 11.391 ( 0.000 2.900 0.000) 2.900 11.439 ( 0.000 -0.723 0.000) 0.723 11.673 ( 0.000 7.733 0.000) 7.733 11.847 ( 0.000 -8.968 0.000) 8.968 19.189 ( 0.000 2.132 0.000) 2.132 19.234 ( 0.000 -2.618 0.000) 2.618 19.836 ( 0.000 8.129 0.000) 8.129 19.977 ( 0.000 -6.466 0.000) 6.466 20.212 ( 0.000 1.318 0.000) 1.318 20.238 ( 0.000 -1.331 0.000) 1.331 20.307 ( 0.000 2.130 0.000) 2.130 20.371 ( 0.000 -5.071 0.000) 5.071 21.238 ( 0.000 1.737 0.000) 1.737 21.257 ( 0.000 0.002 0.000) 0.002 21.590 ( 0.000 4.291 0.000) 4.291 21.671 ( 0.000 -4.343 0.000) 4.343 21.919 ( 0.000 0.893 0.000) 0.893 21.922 ( 0.000 0.584 0.000) 0.584 22.600 ( 0.000 12.852 0.000) 12.852 22.821 ( 0.000 -10.369 0.000) 10.369 ======================= Grid point 28 (17/92) ======================= q-point: ( 0.11 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( 1.906 15.998 2.163) 16.256 1.379 ( 0.960 16.051 1.373) 16.138 1.522 ( 5.088 -2.191 2.915) 6.260 1.674 ( -1.341 -10.686 0.317) 10.774 1.690 ( 5.143 -0.298 2.605) 5.773 1.773 ( 1.845 -8.739 0.654) 8.956 2.141 ( -3.022 4.227 3.166) 6.085 2.188 ( -0.365 -0.867 -0.668) 1.154 2.383 ( -0.065 4.889 -0.254) 4.896 2.454 ( 4.108 3.337 -4.148) 6.724 2.469 ( 2.270 3.157 3.078) 4.959 2.494 ( 3.048 5.648 4.033) 7.580 2.554 ( 5.548 -1.718 -0.002) 5.808 2.574 ( -0.633 1.968 0.151) 2.073 2.748 ( -2.703 6.310 -0.802) 6.912 2.855 ( -2.838 1.004 -0.911) 3.145 2.891 ( -6.887 -1.519 -2.090) 7.355 2.940 ( 1.653 -6.853 -0.883) 7.105 3.020 ( 3.718 15.079 -2.675) 15.759 3.239 ( -2.807 2.810 -1.252) 4.165 3.271 ( -7.065 -3.432 -1.510) 7.999 3.382 ( 1.587 -2.982 0.976) 3.516 3.676 ( 3.020 3.565 2.290) 5.204 3.713 ( 3.310 -2.009 5.244) 6.518 3.802 ( 6.186 4.985 2.613) 8.363 3.871 ( 0.468 -1.386 -1.279) 1.943 3.958 ( -1.122 1.021 -0.780) 1.706 4.003 ( 3.108 -1.987 1.987) 4.190 4.126 ( -3.257 7.242 -1.617) 8.104 4.210 ( -2.736 -3.718 -0.390) 4.633 4.405 ( 0.830 -0.213 -2.034) 2.207 4.427 ( 3.393 -0.761 1.997) 4.010 4.510 ( -1.405 4.549 0.704) 4.813 4.548 ( 4.814 6.141 -1.210) 7.897 4.631 ( -1.247 -4.066 -1.052) 4.381 4.714 ( 7.531 -7.919 -2.952) 11.320 4.791 ( 4.835 4.043 1.191) 6.414 4.847 ( 4.308 -2.834 2.254) 5.627 4.952 ( 2.549 6.194 -2.636) 7.198 5.040 ( 4.139 -1.582 -2.321) 5.002 5.221 ( 0.749 0.804 0.848) 1.388 5.259 ( 0.245 -3.510 5.111) 6.205 5.300 ( 5.485 4.836 1.871) 7.548 5.422 ( 2.526 -6.119 0.858) 6.675 5.571 ( -7.389 8.413 -4.103) 11.925 5.814 ( -8.138 -13.993 -2.443) 16.371 5.960 ( 0.518 4.276 -0.342) 4.321 6.025 ( 0.576 -3.678 -0.755) 3.799 8.222 ( -0.315 3.749 0.194) 3.767 8.281 ( 1.770 -2.037 0.619) 2.769 8.489 ( 4.995 1.701 -1.329) 5.442 8.509 ( 4.231 -0.346 -1.546) 4.517 8.678 ( 2.878 1.565 1.306) 3.526 8.775 ( 7.223 -7.823 5.492) 11.980 9.074 ( -6.110 13.368 -2.294) 14.876 9.341 ( -11.991 -12.805 -2.911) 17.783 9.647 ( -0.585 5.881 0.770) 5.960 9.754 ( -0.223 -4.852 1.457) 5.071 9.879 ( 1.174 5.956 -0.206) 6.074 10.027 ( 0.783 -5.787 -3.014) 6.572 10.118 ( -0.322 4.714 1.718) 5.027 10.254 ( 1.383 -8.558 2.162) 8.935 10.504 ( 8.149 -0.952 -1.258) 8.301 10.518 ( 8.176 -2.038 -0.151) 8.427 11.370 ( -2.866 2.372 1.582) 4.043 11.416 ( -2.672 -1.507 0.601) 3.125 11.645 ( -1.516 7.662 -1.839) 8.024 11.796 ( -2.970 -6.970 -3.116) 8.192 19.194 ( 0.151 2.144 0.723) 2.268 19.239 ( 0.075 -2.609 0.820) 2.735 19.779 ( -5.763 6.343 1.139) 8.645 19.889 ( -8.309 -5.291 1.342) 9.942 20.252 ( 3.581 0.533 -0.244) 3.629 20.268 ( 4.382 -1.172 0.754) 4.598 20.424 ( 11.041 3.284 -0.116) 11.520 20.507 ( 12.036 -5.599 -1.258) 13.334 21.231 ( -1.249 2.306 0.980) 2.799 21.263 ( -0.968 -0.971 2.126) 2.530 21.578 ( -0.539 4.300 -1.295) 4.522 21.663 ( -0.177 -4.742 -1.356) 4.935 21.919 ( 0.413 1.074 -0.350) 1.203 21.922 ( 0.354 0.650 -0.423) 0.853 22.555 ( -4.277 11.405 -0.538) 12.192 22.738 ( -6.971 -7.544 -2.325) 10.531 ======================= Grid point 29 (18/92) ======================= q-point: ( 0.22 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( 1.100 10.269 2.863) 10.718 1.408 ( 0.120 6.658 2.739) 7.201 1.630 ( 3.642 -1.756 2.828) 4.934 1.660 ( 0.256 -2.514 0.956) 2.702 1.779 ( 2.178 0.444 2.272) 3.179 1.830 ( 2.643 -5.281 2.996) 6.622 2.096 ( -6.902 4.992 -1.397) 8.632 2.163 ( -3.429 -2.019 -3.689) 5.426 2.369 ( -2.237 0.915 2.291) 3.330 2.398 ( -3.193 -1.925 -1.525) 4.028 2.503 ( 0.838 7.082 -3.895) 8.126 2.543 ( 4.054 3.185 -3.182) 6.059 2.611 ( -3.389 6.265 4.295) 8.317 2.664 ( 0.331 3.517 3.542) 5.003 2.725 ( -4.543 -2.210 -2.899) 5.825 2.758 ( 5.088 -4.170 2.753) 7.131 2.855 ( -0.417 3.968 3.605) 5.377 2.931 ( 2.619 -4.220 -2.849) 5.726 3.067 ( 3.880 10.575 -2.775) 11.601 3.218 ( 3.317 -5.311 -2.160) 6.624 3.306 ( 7.061 10.400 2.995) 12.923 3.477 ( 6.657 1.335 3.296) 7.548 3.619 ( -5.476 3.840 -1.478) 6.849 3.685 ( -6.700 -3.750 1.360) 7.797 3.830 ( -2.501 1.504 -1.947) 3.508 3.887 ( -2.312 -1.622 -2.170) 3.562 4.004 ( 5.449 5.902 -0.740) 8.066 4.038 ( 0.945 2.553 -1.135) 2.949 4.182 ( 5.369 -0.648 3.653) 6.526 4.216 ( 0.654 -3.179 5.209) 6.138 4.415 ( 3.818 3.229 -2.664) 5.666 4.483 ( 0.849 -2.049 -0.970) 2.420 4.560 ( 4.993 0.353 1.385) 5.193 4.588 ( 1.584 -2.230 2.135) 3.469 4.691 ( 7.713 4.841 -0.766) 9.139 4.815 ( 6.491 -3.888 -1.796) 7.776 4.857 ( 0.744 6.262 -5.202) 8.175 4.935 ( 3.971 0.860 3.431) 5.318 5.024 ( 5.135 -1.080 0.614) 5.283 5.082 ( 3.840 -6.052 -4.901) 8.683 5.219 ( -1.336 3.018 -0.512) 3.340 5.279 ( -3.109 -2.291 3.880) 5.475 5.416 ( -3.853 6.111 -1.204) 7.324 5.453 ( 6.055 1.381 3.210) 6.991 5.507 ( 6.302 -3.723 0.869) 7.371 5.618 ( -7.817 -13.119 -4.040) 15.797 5.957 ( -0.088 5.619 -0.869) 5.687 6.037 ( 0.937 -2.443 -0.576) 2.679 8.219 ( -0.691 4.963 0.535) 5.039 8.309 ( -0.167 -4.086 1.001) 4.210 8.536 ( 2.785 4.736 -2.510) 6.040 8.603 ( 5.931 -1.750 -2.778) 6.778 8.709 ( -3.838 7.715 2.682) 9.025 8.815 ( -8.429 -1.283 -1.386) 8.638 9.125 ( 12.783 -3.877 3.944) 13.929 9.163 ( -0.425 -6.297 0.044) 6.312 9.644 ( -0.124 5.993 0.304) 6.002 9.765 ( 0.046 -6.256 1.014) 6.337 9.920 ( 2.465 1.620 1.223) 3.193 10.006 ( 0.543 -3.825 -2.868) 4.811 10.108 ( -0.458 6.266 -1.080) 6.375 10.307 ( 2.844 -10.702 -1.136) 11.132 10.640 ( 5.014 -0.060 0.553) 5.044 10.661 ( 5.296 -1.914 1.269) 5.772 11.335 ( -2.241 1.590 2.131) 3.478 11.371 ( -2.175 -2.036 1.067) 3.165 11.605 ( -0.299 6.914 -1.927) 7.184 11.714 ( -1.906 -4.033 -3.163) 5.468 19.208 ( 0.362 2.059 1.014) 2.324 19.251 ( 0.237 -2.504 0.929) 2.681 19.675 ( -5.919 3.966 0.663) 7.156 19.744 ( -7.986 -3.333 0.825) 8.693 20.350 ( 6.767 0.620 -0.524) 6.815 20.371 ( 6.281 -1.388 -0.517) 6.453 20.659 ( 12.240 2.571 1.381) 12.583 20.720 ( 11.349 -3.794 -1.145) 12.021 21.208 ( -2.810 2.460 1.790) 4.142 21.245 ( -3.166 -1.195 1.604) 3.745 21.554 ( -0.375 3.642 -1.570) 3.984 21.645 ( 0.205 -5.823 -1.320) 5.974 21.936 ( 1.723 1.258 -0.259) 2.149 21.939 ( 2.130 0.948 -0.127) 2.335 22.444 ( -6.688 8.417 -0.621) 10.769 22.557 ( -9.207 -3.093 -2.445) 10.016 ======================= Grid point 30 (19/92) ======================= q-point: ( 0.33 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( 1.830 5.099 0.438) 5.435 1.450 ( 0.599 -0.651 3.472) 3.582 1.709 ( 3.578 3.676 3.004) 5.944 1.748 ( 3.132 0.278 4.276) 5.308 1.835 ( -0.240 1.643 2.747) 3.210 1.876 ( -6.714 0.160 -0.459) 6.732 1.919 ( -0.102 1.935 -0.547) 2.013 2.009 ( -4.658 -3.580 -1.254) 6.007 2.258 ( -9.595 0.784 -3.019) 10.089 2.274 ( -8.249 -0.853 -2.753) 8.738 2.518 ( 1.071 0.839 -2.586) 2.922 2.524 ( 1.148 2.083 -1.515) 2.820 2.565 ( -0.624 5.171 -0.396) 5.224 2.658 ( 1.665 -2.490 -0.027) 2.995 2.781 ( 2.192 6.061 5.502) 8.474 2.844 ( 1.331 -0.125 0.239) 1.359 2.898 ( 1.118 5.332 0.731) 5.497 2.994 ( 4.742 -5.906 -2.009) 7.836 3.148 ( 7.208 9.694 -0.443) 12.088 3.275 ( 3.591 -1.619 -1.549) 4.232 3.387 ( -3.934 5.604 0.633) 6.876 3.513 ( -6.600 -5.169 -2.665) 8.796 3.588 ( 0.663 6.750 4.159) 7.956 3.668 ( 7.756 3.423 0.019) 8.477 3.726 ( -5.419 4.781 -0.638) 7.255 3.825 ( -1.228 -1.923 -3.243) 3.965 4.052 ( 0.338 3.893 1.043) 4.045 4.082 ( 2.284 1.324 3.236) 4.176 4.242 ( 1.418 2.314 -2.226) 3.510 4.303 ( 4.209 -4.261 0.974) 6.068 4.473 ( 1.047 0.939 1.276) 1.899 4.500 ( 1.691 -0.813 2.639) 3.237 4.640 ( 2.019 0.705 -1.136) 2.422 4.661 ( 5.003 -0.361 -2.605) 5.652 4.811 ( 1.971 6.853 -3.576) 7.977 4.836 ( 5.246 2.283 1.353) 5.878 4.942 ( 6.528 -3.135 0.749) 7.281 4.989 ( 2.327 -7.283 -1.695) 7.832 5.076 ( 2.018 -0.944 -1.033) 2.456 5.089 ( -1.418 -0.149 0.881) 1.676 5.244 ( 5.037 -0.322 -0.432) 5.066 5.277 ( 1.097 -3.347 1.423) 3.799 5.368 ( -0.903 4.149 -0.677) 4.300 5.469 ( -4.405 -6.500 -1.434) 7.982 5.581 ( 3.190 2.068 2.791) 4.716 5.644 ( 4.972 -4.271 2.553) 7.034 5.941 ( -0.013 6.123 -1.915) 6.416 6.032 ( -0.651 -2.866 -1.426) 3.267 8.196 ( -2.185 5.367 -0.229) 5.799 8.286 ( -3.055 -2.727 0.964) 4.207 8.514 ( -3.844 3.895 0.572) 5.502 8.576 ( -8.236 -1.669 -2.520) 8.773 8.668 ( 1.190 2.941 -1.635) 3.569 8.696 ( 2.470 0.549 -1.688) 3.042 9.304 ( 10.019 3.175 2.900) 10.903 9.429 ( 12.145 -7.554 6.828) 15.849 9.650 ( 1.501 5.334 -1.624) 5.774 9.774 ( 0.702 -7.567 -0.478) 7.615 9.965 ( 0.095 3.112 0.773) 3.208 10.015 ( 3.398 -4.476 -1.639) 5.854 10.093 ( 0.346 5.163 -1.202) 5.312 10.318 ( 1.210 -13.798 -4.770) 14.649 10.656 ( -4.176 1.649 1.458) 4.720 10.713 ( -1.544 -3.604 2.698) 4.759 11.347 ( 1.590 1.985 1.444) 2.924 11.376 ( 1.475 -0.911 0.783) 1.902 11.601 ( 1.239 5.118 -0.939) 5.349 11.673 ( -0.116 -2.269 -1.651) 2.808 19.225 ( 0.430 1.837 0.831) 2.061 19.264 ( 0.286 -2.290 0.608) 2.386 19.585 ( -3.930 2.342 -0.054) 4.575 19.623 ( -5.415 -1.707 0.238) 5.683 20.470 ( 6.306 0.266 -0.818) 6.364 20.486 ( 6.375 -1.293 -0.059) 6.505 20.853 ( 7.058 1.709 -0.160) 7.264 20.878 ( 5.788 -1.017 -0.450) 5.894 21.147 ( -4.939 3.746 0.577) 6.226 21.216 ( -0.026 -2.166 1.604) 2.696 21.528 ( -0.887 4.373 -1.593) 4.738 21.660 ( 1.526 -8.352 0.812) 8.529 21.982 ( 3.436 2.126 -0.005) 4.040 21.994 ( 3.666 0.852 0.184) 3.768 22.309 ( -7.114 5.845 -0.501) 9.221 22.372 ( -8.337 -0.771 -1.596) 8.523 ======================= Grid point 31 (20/92) ======================= q-point: ( 0.44 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 0.336 3.864 -0.359) 3.896 1.469 ( 0.448 -2.708 -0.813) 2.863 1.662 ( -4.703 4.850 -0.315) 6.763 1.680 ( -4.823 3.897 -2.229) 6.589 1.919 ( 3.471 3.953 6.480) 8.347 1.947 ( 1.324 2.253 2.996) 3.975 1.953 ( 3.175 0.160 1.670) 3.591 1.986 ( -0.298 0.233 1.439) 1.488 2.110 ( -2.307 -1.381 -3.099) 4.103 2.162 ( -0.481 -5.795 0.221) 5.820 2.448 ( -4.029 0.258 -2.303) 4.648 2.474 ( -2.730 -2.214 -2.717) 4.443 2.618 ( 3.262 5.440 0.087) 6.344 2.692 ( 1.052 -2.517 0.815) 2.847 2.846 ( 0.346 9.400 -2.717) 9.791 2.872 ( 3.068 3.949 2.494) 5.589 2.910 ( -0.333 4.317 1.496) 4.581 3.038 ( 2.024 -6.429 -2.134) 7.070 3.230 ( -2.419 1.651 -0.704) 3.012 3.255 ( 2.866 7.288 -0.418) 7.842 3.328 ( -8.211 -2.553 -1.432) 8.717 3.415 ( 4.229 -3.235 0.024) 5.324 3.603 ( -2.207 11.901 2.246) 12.311 3.693 ( 0.666 8.278 0.254) 8.308 3.745 ( 1.652 1.980 -1.226) 2.855 3.798 ( 0.160 -4.039 -0.255) 4.050 4.067 ( -0.335 2.699 1.303) 3.015 4.092 ( -2.980 0.541 0.274) 3.041 4.248 ( 2.507 7.358 -1.538) 7.924 4.391 ( 3.111 -6.901 0.311) 7.576 4.502 ( 0.352 0.302 1.665) 1.728 4.538 ( -0.056 -4.151 1.478) 4.407 4.657 ( 0.659 1.178 0.560) 1.462 4.674 ( 1.345 -0.692 -4.262) 4.522 4.837 ( 1.522 3.326 -0.943) 3.777 4.887 ( 1.222 -0.764 0.162) 1.450 5.031 ( 1.040 -1.726 1.757) 2.673 5.040 ( 1.920 -1.223 -1.101) 2.529 5.091 ( 1.855 -0.440 0.476) 1.965 5.106 ( 1.348 -1.637 0.161) 2.127 5.303 ( 0.888 0.159 -0.128) 0.911 5.315 ( 1.408 -1.187 -1.314) 2.262 5.391 ( 0.888 -0.503 0.468) 1.123 5.417 ( 1.498 -2.544 0.557) 3.004 5.617 ( -1.533 4.479 1.531) 4.976 5.709 ( 0.311 -5.028 1.092) 5.155 5.943 ( 2.015 3.141 -0.613) 3.782 5.991 ( -1.866 -1.553 -1.451) 2.828 8.146 ( -1.791 5.284 -0.508) 5.603 8.237 ( -2.231 -3.038 0.393) 3.790 8.449 ( -2.684 2.514 -0.865) 3.778 8.464 ( -1.821 -0.481 0.740) 2.024 8.696 ( 1.651 2.173 -0.796) 2.842 8.718 ( 0.957 0.970 -0.760) 1.560 9.490 ( 5.646 7.621 1.899) 9.673 9.634 ( -0.351 4.025 7.599) 8.607 9.680 ( 5.903 -3.962 -4.546) 8.439 9.779 ( 0.475 -7.168 -1.008) 7.254 9.964 ( 0.675 3.794 -0.691) 3.915 10.051 ( 0.262 -5.346 0.638) 5.390 10.118 ( 3.204 -2.319 -1.250) 4.149 10.264 ( -1.842 -14.765 -3.181) 15.216 10.568 ( -4.484 6.227 0.876) 7.723 10.691 ( -2.004 -6.486 1.493) 6.950 11.393 ( 1.455 2.296 0.477) 2.760 11.414 ( 1.259 0.336 0.299) 1.337 11.620 ( 0.899 3.492 -0.205) 3.612 11.666 ( 0.192 -1.296 -0.432) 1.379 19.237 ( 0.208 1.600 0.322) 1.645 19.272 ( 0.123 -2.069 0.193) 2.082 19.535 ( -1.249 1.388 -0.183) 1.876 19.554 ( -2.015 -0.665 0.069) 2.123 20.554 ( 2.912 0.652 -0.330) 3.002 20.585 ( 3.365 -2.515 0.189) 4.206 20.910 ( 0.030 0.766 -0.171) 0.785 20.919 ( 0.658 -0.183 -0.772) 1.031 21.082 ( -1.601 9.284 -0.061) 9.421 21.269 ( 2.349 -9.424 1.333) 9.803 21.494 ( -1.096 9.634 -0.900) 9.738 21.696 ( 0.890 -10.730 0.759) 10.794 22.059 ( 4.464 2.980 0.245) 5.373 22.072 ( 4.088 1.624 0.265) 4.407 22.181 ( -5.887 4.284 -0.324) 7.288 22.226 ( -5.606 -0.771 -0.788) 5.713 ======================= Grid point 63 (21/92) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.360 ( -9.419 0.000 18.828) 21.052 0.470 ( -0.634 0.000 23.768) 23.776 0.842 ( -0.459 0.000 41.527) 41.530 1.285 ( -1.346 0.000 -12.765) 12.835 1.560 ( -0.031 0.000 -11.236) 11.236 1.801 ( 5.105 0.000 12.980) 13.948 1.936 ( -2.169 0.000 5.574) 5.981 2.003 ( 14.423 0.000 -7.181) 16.112 2.179 ( 0.486 0.000 3.550) 3.583 2.264 ( -10.104 0.000 2.502) 10.409 2.298 ( 0.390 0.000 5.072) 5.087 2.548 ( -2.353 0.000 1.733) 2.922 2.582 ( 2.321 0.000 1.976) 3.048 2.593 ( -0.561 0.000 -0.307) 0.639 2.731 ( -1.943 0.000 0.789) 2.097 2.776 ( -5.389 0.000 0.186) 5.392 2.859 ( -20.752 0.000 -1.638) 20.817 2.965 ( -6.370 0.000 -3.862) 7.449 2.979 ( 0.782 0.000 -5.515) 5.570 3.026 ( 3.511 0.000 -0.581) 3.559 3.188 ( 1.396 0.000 -6.296) 6.449 3.287 ( 9.544 0.000 -0.702) 9.570 3.399 ( -7.743 0.000 -12.651) 14.833 3.420 ( 3.093 0.000 -4.308) 5.303 3.510 ( -2.415 0.000 8.527) 8.863 3.703 ( -1.488 0.000 3.809) 4.090 4.023 ( 4.031 0.000 -3.038) 5.048 4.024 ( 11.476 0.000 1.145) 11.533 4.233 ( 3.036 0.000 0.141) 3.039 4.305 ( 0.700 0.000 -2.674) 2.764 4.399 ( -1.635 0.000 -2.342) 2.856 4.425 ( -4.769 0.000 4.870) 6.817 4.489 ( 2.071 0.000 -5.768) 6.129 4.620 ( -4.815 0.000 -0.006) 4.815 4.637 ( 4.825 0.000 1.108) 4.951 4.712 ( -1.769 0.000 8.370) 8.555 4.734 ( 1.736 0.000 -2.655) 3.172 4.886 ( -10.149 0.000 1.871) 10.320 4.975 ( 6.725 0.000 -1.188) 6.830 5.089 ( 0.506 0.000 3.233) 3.272 5.160 ( -1.143 0.000 -0.153) 1.153 5.273 ( 2.241 0.000 2.479) 3.342 5.349 ( 0.432 0.000 5.124) 5.142 5.415 ( 0.007 0.000 -4.070) 4.070 5.634 ( 2.996 0.000 0.859) 3.117 5.687 ( 0.890 0.000 0.050) 0.892 5.795 ( -3.537 0.000 -2.128) 4.128 6.269 ( 2.137 0.000 -6.589) 6.927 8.093 ( 3.164 0.000 2.577) 4.081 8.219 ( -1.262 0.000 2.136) 2.481 8.334 ( 0.787 0.000 -0.043) 0.788 8.519 ( -4.642 0.000 -8.279) 9.491 8.773 ( 6.173 0.000 2.733) 6.750 8.922 ( -3.404 0.000 -0.337) 3.421 9.056 ( -1.968 0.000 4.189) 4.629 9.322 ( -1.209 0.000 -2.318) 2.615 9.671 ( 4.290 0.000 -0.754) 4.356 9.681 ( -22.839 0.000 -1.880) 22.916 10.093 ( 1.720 0.000 5.490) 5.753 10.152 ( 3.637 0.000 4.805) 6.027 10.487 ( -0.587 0.000 -1.911) 1.999 10.529 ( -1.297 0.000 -1.631) 2.084 10.546 ( -3.768 0.000 -0.972) 3.891 10.644 ( 5.644 0.000 -5.059) 7.579 11.077 ( 4.025 0.000 1.334) 4.241 11.241 ( -0.662 0.000 -1.806) 1.923 11.676 ( 6.294 0.000 3.017) 6.980 11.797 ( -0.493 0.000 -0.603) 0.779 19.150 ( -0.921 0.000 2.530) 2.692 19.377 ( 1.157 0.000 -2.889) 3.112 20.061 ( -38.621 0.000 0.777) 38.629 20.121 ( 6.349 0.000 -0.477) 6.367 20.264 ( -3.052 0.000 -0.396) 3.078 20.273 ( 1.725 0.000 -0.316) 1.753 20.520 ( -0.071 0.000 1.765) 1.767 20.634 ( 3.446 0.000 -1.043) 3.600 21.043 ( -0.315 0.000 1.900) 1.926 21.263 ( 2.060 0.000 -4.890) 5.307 21.488 ( -6.199 0.000 4.856) 7.875 21.672 ( 36.753 0.000 -1.187) 36.772 21.818 ( -0.023 0.000 0.266) 0.267 21.872 ( 0.140 0.000 -1.261) 1.269 22.100 ( -0.860 0.000 0.575) 1.035 22.124 ( 2.135 0.000 -0.145) 2.140 ======================= Grid point 64 (22/92) ======================= q-point: ( 0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.625 ( 14.227 0.000 11.665) 18.398 0.802 ( 10.634 0.000 18.223) 21.099 1.239 ( 4.542 0.000 19.873) 20.386 1.289 ( 10.238 0.000 -7.994) 12.989 1.500 ( 5.472 0.000 -6.585) 8.562 1.932 ( 0.683 0.000 3.859) 3.919 1.983 ( 2.467 0.000 4.767) 5.368 2.100 ( -6.261 0.000 3.109) 6.991 2.137 ( -4.152 0.000 5.281) 6.718 2.265 ( 9.219 0.000 1.715) 9.377 2.389 ( -1.609 0.000 10.564) 10.686 2.483 ( -7.156 0.000 -0.683) 7.188 2.537 ( -3.298 0.000 -1.285) 3.540 2.581 ( -1.186 0.000 -0.623) 1.340 2.644 ( -1.404 0.000 3.739) 3.994 2.670 ( -3.498 0.000 -2.214) 4.140 2.706 ( -9.706 0.000 2.546) 10.034 2.851 ( -1.202 0.000 0.668) 1.375 2.956 ( 1.352 0.000 -3.232) 3.503 3.056 ( -5.421 0.000 -17.222) 18.056 3.083 ( 1.997 0.000 -0.672) 2.107 3.149 ( -0.366 0.000 -7.779) 7.788 3.518 ( 10.442 0.000 -2.689) 10.783 3.538 ( 11.684 0.000 -4.232) 12.427 3.551 ( -1.429 0.000 8.024) 8.150 3.690 ( -3.450 0.000 4.175) 5.417 4.070 ( -4.050 0.000 -1.137) 4.206 4.153 ( 11.024 0.000 -2.933) 11.408 4.171 ( -4.737 0.000 -0.517) 4.766 4.318 ( 1.730 0.000 -4.187) 4.531 4.328 ( -1.679 0.000 -5.567) 5.814 4.490 ( 3.180 0.000 -2.588) 4.100 4.497 ( 6.261 0.000 3.627) 7.236 4.506 ( -5.410 0.000 2.024) 5.776 4.712 ( 5.795 0.000 3.121) 6.582 4.776 ( 3.566 0.000 -1.699) 3.950 4.823 ( 0.912 0.000 1.064) 1.401 4.876 ( 4.557 0.000 8.412) 9.567 5.068 ( -0.426 0.000 4.425) 4.445 5.123 ( 2.663 0.000 -3.837) 4.670 5.142 ( -1.030 0.000 0.933) 1.390 5.350 ( 3.389 0.000 2.125) 4.000 5.353 ( 1.623 0.000 -5.394) 5.633 5.454 ( 4.632 0.000 2.588) 5.306 5.660 ( -6.026 0.000 0.629) 6.059 5.703 ( -1.866 0.000 -1.083) 2.158 5.742 ( 5.410 0.000 2.565) 5.987 6.087 ( -9.283 0.000 -9.543) 13.314 8.125 ( -3.220 0.000 5.643) 6.497 8.295 ( 6.255 0.000 2.595) 6.772 8.314 ( -6.799 0.000 -8.181) 10.638 8.371 ( 2.739 0.000 -1.950) 3.362 8.764 ( -9.395 0.000 -2.980) 9.856 8.952 ( 8.226 0.000 5.545) 9.920 9.043 ( -3.694 0.000 2.959) 4.733 9.372 ( -8.342 0.000 2.864) 8.820 9.396 ( 6.214 0.000 -4.360) 7.592 9.726 ( 1.126 0.000 1.589) 1.948 10.190 ( 0.588 0.000 7.889) 7.911 10.310 ( 3.119 0.000 2.801) 4.191 10.467 ( 1.113 0.000 -3.131) 3.323 10.516 ( 5.574 0.000 -1.769) 5.848 10.564 ( 8.600 0.000 -3.737) 9.377 10.752 ( 9.409 0.000 -2.689) 9.786 11.137 ( 0.423 0.000 2.682) 2.715 11.178 ( -3.295 0.000 -3.505) 4.811 11.713 ( -1.819 0.000 2.547) 3.130 11.727 ( -5.806 0.000 -1.315) 5.953 19.163 ( -0.468 0.000 2.809) 2.848 19.370 ( 1.272 0.000 -3.179) 3.424 19.643 ( -14.594 0.000 9.466) 17.395 20.096 ( -11.634 0.000 0.759) 11.659 20.264 ( 6.576 0.000 0.615) 6.605 20.316 ( 3.695 0.000 0.332) 3.710 20.651 ( 9.820 0.000 3.627) 10.468 20.743 ( 5.470 0.000 -4.251) 6.928 21.050 ( -1.508 0.000 2.492) 2.913 21.266 ( 4.398 0.000 -5.605) 7.125 21.397 ( -7.069 0.000 1.037) 7.144 21.816 ( -0.294 0.000 0.313) 0.430 21.859 ( -0.049 0.000 -1.060) 1.061 21.986 ( 7.098 0.000 -6.934) 9.922 22.070 ( -2.658 0.000 0.118) 2.660 22.188 ( 6.322 0.000 -4.007) 7.485 ======================= Grid point 65 (23/92) ======================= q-point: ( 0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( 10.387 0.000 5.379) 11.697 1.119 ( 5.152 0.000 9.338) 10.665 1.396 ( 9.943 0.000 -8.270) 12.933 1.430 ( 8.475 0.000 3.446) 9.149 1.584 ( 7.274 0.000 -5.971) 9.411 1.912 ( -9.266 0.000 2.481) 9.593 2.018 ( -0.114 0.000 -1.397) 1.402 2.023 ( -5.245 0.000 4.467) 6.890 2.171 ( -6.730 0.000 11.074) 12.959 2.212 ( -8.063 0.000 -10.963) 13.609 2.308 ( -6.796 0.000 -2.412) 7.211 2.438 ( -3.010 0.000 -0.389) 3.035 2.460 ( 0.566 0.000 7.487) 7.508 2.552 ( -4.485 0.000 -2.698) 5.234 2.572 ( -5.182 0.000 4.729) 7.016 2.653 ( 3.123 0.000 5.551) 6.369 2.753 ( 2.480 0.000 7.536) 7.933 2.885 ( -0.599 0.000 -4.889) 4.925 2.915 ( 4.086 0.000 3.398) 5.314 3.001 ( 10.850 0.000 -13.112) 17.019 3.080 ( -2.942 0.000 2.322) 3.748 3.093 ( 2.704 0.000 -6.953) 7.460 3.571 ( 1.670 0.000 -2.011) 2.614 3.619 ( -1.335 0.000 5.220) 5.388 3.650 ( -1.486 0.000 3.300) 3.619 3.804 ( 14.392 0.000 2.947) 14.691 3.940 ( -9.657 0.000 2.595) 10.000 4.130 ( 3.076 0.000 -3.338) 4.540 4.196 ( -1.410 0.000 -7.922) 8.046 4.282 ( 2.625 0.000 -5.501) 6.095 4.310 ( -0.034 0.000 0.243) 0.246 4.500 ( 0.076 0.000 4.030) 4.031 4.620 ( 11.869 0.000 1.590) 11.975 4.673 ( 7.737 0.000 2.492) 8.129 4.816 ( 2.751 0.000 -1.835) 3.307 4.836 ( 3.146 0.000 -0.651) 3.212 4.908 ( 8.844 0.000 2.128) 9.096 4.995 ( -8.928 0.000 -1.069) 8.992 5.037 ( 3.452 0.000 6.916) 7.730 5.108 ( -0.687 0.000 1.712) 1.844 5.141 ( 0.122 0.000 1.755) 1.759 5.344 ( -0.579 0.000 -2.730) 2.791 5.438 ( 3.262 0.000 1.962) 3.807 5.554 ( -2.832 0.000 2.489) 3.770 5.605 ( 9.950 0.000 -9.286) 13.610 5.690 ( 0.319 0.000 4.716) 4.726 5.807 ( -4.918 0.000 -5.029) 7.034 5.849 ( -0.299 0.000 -3.990) 4.002 8.120 ( -5.231 0.000 -7.059) 8.786 8.131 ( -2.326 0.000 6.768) 7.156 8.398 ( 1.383 0.000 -1.364) 1.942 8.427 ( 1.334 0.000 2.177) 2.553 8.580 ( -4.106 0.000 -2.148) 4.634 8.947 ( -5.458 0.000 -2.420) 5.970 9.187 ( 7.490 0.000 9.311) 11.950 9.250 ( -3.179 0.000 -1.780) 3.643 9.516 ( 6.879 0.000 -1.974) 7.157 9.777 ( 3.533 0.000 1.826) 3.976 10.250 ( -0.993 0.000 5.456) 5.545 10.269 ( -1.053 0.000 -5.993) 6.085 10.571 ( 4.534 0.000 5.027) 6.770 10.649 ( 9.269 0.000 -1.478) 9.386 10.720 ( 8.695 0.000 -2.871) 9.157 10.918 ( 9.284 0.000 -0.230) 9.286 11.075 ( -2.309 0.000 -3.739) 4.395 11.161 ( -0.344 0.000 3.153) 3.171 11.576 ( -8.431 0.000 -1.204) 8.517 11.689 ( -2.548 0.000 0.630) 2.625 19.185 ( -0.261 0.000 3.018) 3.029 19.363 ( 1.539 0.000 -3.370) 3.705 19.533 ( -6.880 0.000 5.392) 8.742 19.863 ( -11.948 0.000 -1.151) 12.003 20.402 ( 7.089 0.000 0.820) 7.137 20.416 ( 6.471 0.000 0.533) 6.493 20.776 ( 2.531 0.000 -3.252) 4.121 20.878 ( 6.976 0.000 6.444) 9.497 21.031 ( -3.428 0.000 2.706) 4.368 21.248 ( -7.828 0.000 -2.459) 8.205 21.345 ( 9.184 0.000 -2.670) 9.564 21.815 ( -0.036 0.000 0.349) 0.351 21.859 ( 0.928 0.000 -0.493) 1.051 21.984 ( -0.252 0.000 -3.150) 3.160 22.010 ( -3.808 0.000 0.145) 3.811 22.249 ( 5.048 0.000 -4.844) 6.996 ======================= Grid point 66 (24/92) ======================= q-point: ( 0.33 0.00 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( -17.121 0.000 -11.116) 20.413 1.120 ( 5.565 0.000 1.309) 5.717 1.556 ( 11.860 0.000 -5.076) 12.901 1.583 ( 2.073 0.000 -0.151) 2.078 1.704 ( 17.139 0.000 -8.146) 18.977 1.714 ( -12.288 0.000 2.635) 12.567 1.925 ( -1.934 0.000 0.564) 2.014 1.969 ( -2.730 0.000 -3.468) 4.413 2.049 ( -1.834 0.000 -2.574) 3.160 2.131 ( -4.041 0.000 5.843) 7.104 2.254 ( -2.297 0.000 2.590) 3.462 2.427 ( -8.249 0.000 3.716) 9.047 2.452 ( -4.335 0.000 -0.644) 4.382 2.467 ( 2.526 0.000 4.837) 5.457 2.650 ( 3.169 0.000 9.561) 10.073 2.669 ( -4.004 0.000 -0.113) 4.005 2.841 ( -0.541 0.000 4.055) 4.091 2.863 ( 0.679 0.000 -1.886) 2.005 2.917 ( -6.197 0.000 1.189) 6.310 3.050 ( -5.985 0.000 5.108) 7.868 3.083 ( 5.704 0.000 -4.733) 7.412 3.141 ( 14.075 0.000 -13.019) 19.173 3.546 ( -0.827 0.000 -1.210) 1.466 3.680 ( -1.951 0.000 8.130) 8.361 3.688 ( 1.087 0.000 6.104) 6.200 3.790 ( -8.138 0.000 3.870) 9.012 4.084 ( 2.071 0.000 -3.083) 3.714 4.109 ( 10.184 0.000 -2.496) 10.485 4.162 ( 0.788 0.000 -0.259) 0.830 4.249 ( 0.908 0.000 -6.023) 6.091 4.359 ( 6.185 0.000 -0.915) 6.252 4.519 ( -2.343 0.000 2.454) 3.393 4.792 ( -6.585 0.000 -1.101) 6.677 4.794 ( 3.982 0.000 0.323) 3.995 4.856 ( 7.838 0.000 -0.523) 7.855 4.888 ( 5.136 0.000 -2.588) 5.752 4.906 ( 6.017 0.000 1.816) 6.285 5.060 ( -2.207 0.000 3.390) 4.045 5.093 ( 5.625 0.000 -0.826) 5.686 5.111 ( -1.277 0.000 2.591) 2.889 5.243 ( 7.219 0.000 2.153) 7.533 5.287 ( -3.226 0.000 1.243) 3.457 5.450 ( -2.911 0.000 0.131) 2.914 5.538 ( -0.324 0.000 0.085) 0.335 5.654 ( 6.271 0.000 -8.826) 10.827 5.715 ( 1.979 0.000 -1.839) 2.702 5.805 ( 4.542 0.000 3.182) 5.546 5.826 ( -2.583 0.000 -0.726) 2.683 7.998 ( -1.872 0.000 -4.169) 4.570 8.165 ( -1.849 0.000 7.062) 7.300 8.303 ( -7.361 0.000 -3.831) 8.298 8.396 ( -0.711 0.000 0.440) 0.836 8.636 ( 3.371 0.000 2.297) 4.079 8.814 ( -4.815 0.000 -3.763) 6.111 9.220 ( 0.167 0.000 1.253) 1.264 9.390 ( 5.157 0.000 7.011) 8.703 9.608 ( 5.935 0.000 -3.005) 6.653 9.899 ( 6.670 0.000 2.925) 7.283 10.214 ( 0.154 0.000 -3.567) 3.570 10.247 ( -3.401 0.000 0.326) 3.417 10.676 ( 3.028 0.000 2.319) 3.815 10.744 ( 5.276 0.000 -8.762) 10.228 10.792 ( 2.172 0.000 1.017) 2.398 11.029 ( -0.446 0.000 2.742) 2.778 11.087 ( 4.557 0.000 0.527) 4.587 11.231 ( 6.796 0.000 0.984) 6.867 11.425 ( -7.038 0.000 0.811) 7.085 11.627 ( -3.405 0.000 -2.085) 3.992 19.210 ( -0.433 0.000 2.976) 3.008 19.364 ( 2.190 0.000 -3.319) 3.976 19.470 ( -4.540 0.000 3.046) 5.467 19.665 ( -7.718 0.000 -1.392) 7.843 20.541 ( 7.345 0.000 0.376) 7.355 20.556 ( 7.582 0.000 0.768) 7.621 20.783 ( 1.290 0.000 -2.315) 2.650 20.974 ( -5.328 0.000 2.361) 5.828 20.987 ( 0.428 0.000 1.544) 1.602 21.081 ( -6.403 0.000 -2.617) 6.917 21.541 ( 9.483 0.000 4.124) 10.341 21.825 ( 0.908 0.000 0.270) 0.948 21.874 ( 0.283 0.000 -0.440) 0.523 21.939 ( -1.813 0.000 -1.767) 2.531 21.943 ( -3.278 0.000 0.807) 3.375 22.285 ( 3.860 0.000 -4.682) 6.068 ======================= Grid point 67 (25/92) ======================= q-point: ( 0.44 0.00 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( 0.463 0.000 1.720) 1.781 1.215 ( 2.459 0.000 4.391) 5.032 1.554 ( -4.900 0.000 1.899) 5.255 1.634 ( 7.970 0.000 -5.599) 9.740 1.680 ( 5.633 0.000 -6.696) 8.750 1.855 ( -3.254 0.000 -5.906) 6.743 1.923 ( 8.829 0.000 -6.590) 11.017 1.949 ( 0.240 0.000 1.316) 1.338 2.067 ( 0.397 0.000 4.785) 4.802 2.096 ( -4.296 0.000 2.334) 4.889 2.193 ( -3.436 0.000 -1.699) 3.833 2.287 ( -7.907 0.000 0.639) 7.933 2.396 ( -1.649 0.000 1.907) 2.521 2.550 ( -1.861 0.000 2.907) 3.451 2.585 ( -1.834 0.000 -3.108) 3.608 2.730 ( -4.698 0.000 -3.285) 5.732 2.794 ( 3.032 0.000 3.281) 4.467 2.857 ( 0.976 0.000 -2.044) 2.265 2.904 ( -5.973 0.000 11.497) 12.956 2.954 ( -5.171 0.000 5.983) 7.908 3.132 ( 3.284 0.000 -0.821) 3.385 3.314 ( 13.784 0.000 -6.812) 15.375 3.517 ( -1.301 0.000 -1.534) 2.012 3.656 ( -4.395 0.000 7.136) 8.381 3.668 ( -5.543 0.000 2.077) 5.920 3.818 ( -0.209 0.000 4.374) 4.379 4.074 ( 4.783 0.000 -2.337) 5.323 4.155 ( -1.600 0.000 1.033) 1.904 4.226 ( 3.411 0.000 -3.722) 5.049 4.290 ( 5.848 0.000 -1.379) 6.009 4.457 ( -5.991 0.000 0.110) 5.992 4.480 ( 6.245 0.000 -0.580) 6.272 4.667 ( -5.435 0.000 0.565) 5.464 4.844 ( 1.938 0.000 -1.023) 2.191 4.958 ( 4.367 0.000 0.049) 4.367 4.965 ( 1.103 0.000 1.683) 2.012 5.016 ( 2.254 0.000 0.090) 2.256 5.038 ( 3.934 0.000 -2.357) 4.586 5.119 ( -0.225 0.000 1.870) 1.884 5.138 ( -0.404 0.000 -1.645) 1.694 5.249 ( -5.114 0.000 2.547) 5.713 5.340 ( -0.404 0.000 -1.136) 1.205 5.427 ( 2.217 0.000 -0.735) 2.336 5.526 ( 0.752 0.000 -1.615) 1.781 5.684 ( 4.677 0.000 -5.967) 7.582 5.741 ( -0.232 0.000 -0.283) 0.366 5.779 ( -1.864 0.000 3.226) 3.726 5.897 ( 2.701 0.000 2.170) 3.465 7.967 ( 1.301 0.000 -1.482) 1.972 8.118 ( -5.476 0.000 -2.003) 5.831 8.241 ( 0.643 0.000 4.323) 4.371 8.400 ( -0.486 0.000 3.434) 3.468 8.676 ( -0.081 0.000 -0.221) 0.235 8.718 ( -0.784 0.000 -4.850) 4.913 9.270 ( 0.758 0.000 6.221) 6.267 9.492 ( -0.619 0.000 4.468) 4.511 9.681 ( 4.653 0.000 -2.647) 5.354 10.028 ( 1.735 0.000 -1.427) 2.246 10.137 ( -2.639 0.000 -2.308) 3.506 10.199 ( 0.634 0.000 -0.785) 1.009 10.739 ( 2.818 0.000 -0.356) 2.840 10.784 ( 0.291 0.000 -3.669) 3.681 10.812 ( 6.879 0.000 -0.563) 6.902 10.974 ( -6.837 0.000 1.914) 7.100 11.192 ( 4.230 0.000 2.264) 4.798 11.327 ( -5.963 0.000 2.386) 6.423 11.380 ( 7.281 0.000 -0.996) 7.349 11.527 ( -3.803 0.000 -3.469) 5.147 19.220 ( -1.466 0.000 2.404) 2.815 19.382 ( 2.974 0.000 -2.919) 4.168 19.430 ( -2.242 0.000 2.017) 3.015 19.557 ( -2.887 0.000 -0.610) 2.951 20.666 ( 4.681 0.000 0.040) 4.681 20.693 ( 5.606 0.000 0.245) 5.611 20.780 ( 0.203 0.000 -0.578) 0.613 20.891 ( -4.896 0.000 1.571) 5.142 20.921 ( -3.172 0.000 -1.239) 3.405 21.013 ( -0.973 0.000 -2.379) 2.570 21.727 ( 4.141 0.000 6.513) 7.718 21.831 ( -3.292 0.000 0.012) 3.292 21.851 ( 1.214 0.000 -0.131) 1.221 21.894 ( -1.141 0.000 -0.575) 1.278 21.929 ( -0.238 0.000 0.850) 0.883 22.302 ( 2.940 0.000 -4.711) 5.553 ======================= Grid point 68 (26/92) ======================= q-point: (-0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( 16.976 0.000 15.072) 22.701 1.254 ( -4.722 0.000 0.846) 4.797 1.526 ( 0.517 0.000 -1.431) 1.522 1.684 ( 3.096 0.000 -5.999) 6.751 1.684 ( -3.459 0.000 -11.532) 12.040 1.756 ( -5.765 0.000 -0.299) 5.773 1.837 ( 7.812 0.000 -4.828) 9.183 1.862 ( -8.718 0.000 0.539) 8.734 2.100 ( 0.131 0.000 -5.385) 5.386 2.106 ( 2.925 0.000 -1.124) 3.134 2.191 ( -4.103 0.000 5.349) 6.741 2.195 ( 2.709 0.000 2.254) 3.524 2.449 ( 2.965 0.000 5.249) 6.029 2.463 ( -3.002 0.000 -1.115) 3.203 2.560 ( 1.799 0.000 -1.862) 2.590 2.635 ( -6.363 0.000 -0.853) 6.420 2.802 ( -1.889 0.000 -2.505) 3.137 2.864 ( 1.584 0.000 -1.397) 2.112 2.878 ( -2.003 0.000 4.847) 5.245 3.038 ( 0.055 0.000 8.623) 8.623 3.201 ( 3.519 0.000 1.967) 4.031 3.482 ( 6.924 0.000 0.220) 6.927 3.514 ( 2.109 0.000 -0.661) 2.210 3.568 ( -3.320 0.000 -2.288) 4.032 3.705 ( -0.294 0.000 9.820) 9.825 3.794 ( -4.836 0.000 2.514) 5.450 4.141 ( -1.019 0.000 2.094) 2.328 4.157 ( 4.507 0.000 -4.667) 6.488 4.262 ( -11.942 0.000 -1.581) 12.046 4.295 ( 6.705 0.000 -4.807) 8.250 4.326 ( 0.655 0.000 -0.790) 1.026 4.554 ( 0.968 0.000 2.168) 2.374 4.645 ( 0.848 0.000 3.469) 3.571 4.827 ( -2.601 0.000 -2.508) 3.613 4.957 ( -2.726 0.000 -1.061) 2.925 4.961 ( -2.036 0.000 2.620) 3.317 5.053 ( -3.566 0.000 -3.795) 5.207 5.059 ( -1.010 0.000 2.400) 2.604 5.078 ( -9.853 0.000 0.923) 9.896 5.150 ( 4.322 0.000 -3.002) 5.262 5.166 ( 3.293 0.000 -2.953) 4.423 5.262 ( -6.809 0.000 2.354) 7.205 5.468 ( 4.534 0.000 -0.834) 4.610 5.558 ( 2.723 0.000 0.131) 2.726 5.683 ( -3.226 0.000 -3.082) 4.462 5.699 ( 1.378 0.000 -2.797) 3.118 5.829 ( 1.668 0.000 3.695) 4.054 5.935 ( -1.051 0.000 1.737) 2.030 8.012 ( 4.045 0.000 0.574) 4.085 8.019 ( -2.200 0.000 -3.433) 4.077 8.327 ( 3.403 0.000 5.412) 6.393 8.450 ( 1.105 0.000 5.017) 5.137 8.640 ( -2.391 0.000 -1.790) 2.987 8.689 ( 3.181 0.000 -6.028) 6.816 9.359 ( 0.030 0.000 10.442) 10.442 9.453 ( -7.092 0.000 2.966) 7.687 9.708 ( 0.006 0.000 -1.256) 1.256 9.875 ( -6.033 0.000 -8.479) 10.406 10.178 ( 1.670 0.000 -0.070) 1.671 10.231 ( 3.304 0.000 -0.067) 3.305 10.737 ( -5.954 0.000 -0.451) 5.971 10.756 ( 0.361 0.000 -1.617) 1.657 10.868 ( -0.496 0.000 -3.161) 3.199 10.967 ( 6.269 0.000 2.558) 6.771 11.225 ( -6.497 0.000 3.896) 7.576 11.289 ( 3.730 0.000 1.048) 3.874 11.354 ( -6.624 0.000 -1.952) 6.905 11.525 ( 5.244 0.000 -3.336) 6.215 19.202 ( -2.406 0.000 1.581) 2.879 19.405 ( 1.725 0.000 -2.072) 2.696 19.428 ( -0.216 0.000 2.027) 2.039 19.552 ( 3.300 0.000 -0.676) 3.369 20.655 ( -4.903 0.000 -0.074) 4.903 20.671 ( -5.998 0.000 -0.546) 6.022 20.833 ( 2.353 0.000 1.795) 2.960 20.867 ( 1.983 0.000 0.516) 2.049 20.932 ( -0.984 0.000 -2.770) 2.940 20.973 ( 5.034 0.000 -1.741) 5.326 21.733 ( -6.554 0.000 4.795) 8.121 21.837 ( -1.317 0.000 -0.562) 1.432 21.871 ( 3.989 0.000 1.864) 4.403 21.917 ( 2.719 0.000 0.329) 2.738 21.922 ( -1.555 0.000 1.552) 2.197 22.300 ( 2.016 0.000 -5.254) 5.627 ======================= Grid point 69 (27/92) ======================= q-point: (-0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( -10.174 0.000 -12.877) 16.411 1.170 ( -10.759 0.000 2.873) 11.136 1.364 ( -13.552 0.000 -6.022) 14.830 1.511 ( 1.002 0.000 -5.949) 6.033 1.716 ( 2.037 0.000 -3.512) 4.060 1.791 ( 1.172 0.000 3.489) 3.681 1.798 ( 2.990 0.000 -0.182) 2.996 1.960 ( -0.351 0.000 -4.262) 4.276 2.002 ( -2.342 0.000 0.707) 2.447 2.214 ( 7.476 0.000 5.100) 9.050 2.265 ( 8.879 0.000 3.968) 9.725 2.286 ( 5.191 0.000 -2.261) 5.662 2.446 ( 0.547 0.000 -2.083) 2.153 2.516 ( -5.326 0.000 2.280) 5.794 2.560 ( 3.546 0.000 4.465) 5.701 2.634 ( 5.426 0.000 5.215) 7.526 2.702 ( -5.301 0.000 -2.719) 5.958 2.849 ( -3.654 0.000 -2.943) 4.692 2.885 ( 1.543 0.000 -0.685) 1.688 3.068 ( -0.651 0.000 1.825) 1.938 3.274 ( 1.168 0.000 1.861) 2.197 3.512 ( -2.604 0.000 -0.856) 2.741 3.551 ( -2.013 0.000 3.640) 4.160 3.560 ( 0.236 0.000 2.911) 2.921 3.704 ( -4.931 0.000 6.336) 8.029 3.858 ( 4.733 0.000 6.132) 7.746 3.992 ( -9.054 0.000 -4.174) 9.970 4.126 ( 2.754 0.000 -9.590) 9.977 4.165 ( 0.421 0.000 3.498) 3.524 4.349 ( 2.378 0.000 -1.667) 2.904 4.416 ( 5.750 0.000 0.006) 5.750 4.566 ( -3.713 0.000 4.673) 5.969 4.694 ( -1.206 0.000 1.448) 1.885 4.719 ( -4.321 0.000 -2.422) 4.954 4.876 ( -5.417 0.000 -1.090) 5.526 4.902 ( -4.736 0.000 -2.444) 5.330 4.912 ( -4.423 0.000 2.917) 5.299 4.942 ( -8.222 0.000 -2.129) 8.494 5.023 ( -2.015 0.000 -2.949) 3.572 5.103 ( -1.168 0.000 -1.724) 2.083 5.170 ( -7.547 0.000 4.078) 8.578 5.245 ( 5.579 0.000 -0.596) 5.611 5.484 ( -5.940 0.000 -0.847) 6.000 5.592 ( -0.595 0.000 0.534) 0.800 5.687 ( -0.931 0.000 0.679) 1.152 5.720 ( 11.983 0.000 -2.067) 12.160 5.861 ( -0.215 0.000 0.015) 0.216 5.890 ( -4.390 0.000 0.257) 4.397 7.966 ( -0.011 0.000 -3.164) 3.164 8.127 ( 6.958 0.000 1.974) 7.233 8.454 ( 2.372 0.000 4.607) 5.182 8.512 ( 0.025 0.000 4.125) 4.126 8.578 ( -0.239 0.000 -1.123) 1.148 8.706 ( 5.381 0.000 -7.539) 9.262 9.313 ( -10.377 0.000 3.100) 10.830 9.471 ( -1.059 0.000 13.319) 13.361 9.666 ( -3.498 0.000 1.134) 3.677 9.710 ( -2.869 0.000 -7.792) 8.304 10.156 ( -2.355 0.000 -1.816) 2.974 10.300 ( 4.813 0.000 -4.185) 6.378 10.530 ( -11.625 0.000 -1.539) 11.727 10.736 ( -2.342 0.000 -0.994) 2.544 10.893 ( 4.727 0.000 -3.423) 5.836 11.017 ( -4.784 0.000 3.398) 5.868 11.164 ( -2.785 0.000 3.917) 4.806 11.202 ( -8.063 0.000 -0.353) 8.071 11.424 ( 9.210 0.000 1.428) 9.320 11.559 ( 2.451 0.000 -4.775) 5.367 19.172 ( -2.176 0.000 1.374) 2.574 19.404 ( 0.398 0.000 -1.655) 1.702 19.455 ( 0.417 0.000 2.888) 2.918 19.657 ( 8.740 0.000 -1.689) 8.902 20.536 ( -7.522 0.000 -0.078) 7.522 20.540 ( -7.452 0.000 0.772) 7.492 20.823 ( -4.500 0.000 -4.558) 6.405 20.874 ( 1.005 0.000 2.497) 2.692 20.935 ( 3.150 0.000 0.629) 3.212 21.109 ( 8.077 0.000 -1.042) 8.144 21.659 ( -7.181 0.000 6.557) 9.724 21.812 ( -0.705 0.000 -0.431) 0.826 21.885 ( -1.317 0.000 -0.279) 1.346 21.971 ( 2.754 0.000 3.024) 4.090 21.976 ( 3.124 0.000 0.175) 3.129 22.268 ( 1.056 0.000 -7.487) 7.562 ======================= Grid point 70 (28/92) ======================= q-point: (-0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( -14.550 0.000 -7.993) 16.601 0.871 ( -21.191 0.000 2.011) 21.286 1.144 ( -10.952 0.000 3.606) 11.530 1.506 ( 3.058 0.000 -1.186) 3.280 1.698 ( 2.809 0.000 -7.958) 8.439 1.748 ( -7.033 0.000 0.876) 7.088 1.806 ( -1.584 0.000 -3.540) 3.878 1.850 ( -4.749 0.000 0.739) 4.806 1.992 ( 0.178 0.000 -0.535) 0.564 2.328 ( 3.405 0.000 -0.281) 3.417 2.345 ( -2.059 0.000 -3.113) 3.732 2.397 ( 6.210 0.000 2.406) 6.660 2.483 ( 0.704 0.000 2.191) 2.302 2.564 ( 3.759 0.000 -1.193) 3.944 2.621 ( 0.069 0.000 0.533) 0.538 2.638 ( 5.436 0.000 7.031) 8.887 2.775 ( 0.259 0.000 -1.267) 1.293 2.801 ( -1.459 0.000 4.709) 4.930 2.913 ( 4.608 0.000 0.457) 4.631 3.072 ( 0.988 0.000 -2.522) 2.709 3.275 ( -0.580 0.000 -1.217) 1.348 3.389 ( -6.853 0.000 1.556) 7.027 3.537 ( -5.554 0.000 5.351) 7.712 3.562 ( 1.416 0.000 1.681) 2.198 3.733 ( -2.277 0.000 8.635) 8.930 3.854 ( -5.145 0.000 -2.395) 5.675 3.988 ( 4.580 0.000 1.896) 4.957 4.173 ( 5.473 0.000 -3.435) 6.462 4.204 ( -0.214 0.000 2.151) 2.162 4.332 ( 2.173 0.000 -6.959) 7.291 4.488 ( -4.686 0.000 -0.594) 4.724 4.498 ( 2.642 0.000 2.447) 3.602 4.607 ( -6.154 0.000 1.384) 6.308 4.682 ( -13.026 0.000 -1.208) 13.082 4.696 ( -2.248 0.000 3.860) 4.466 4.779 ( -5.056 0.000 -5.401) 7.399 4.814 ( -1.394 0.000 -0.233) 1.414 4.906 ( -0.214 0.000 -1.833) 1.846 4.988 ( 1.910 0.000 -1.451) 2.398 5.068 ( -7.695 0.000 5.806) 9.640 5.114 ( 1.308 0.000 1.090) 1.703 5.341 ( 4.643 0.000 -0.487) 4.669 5.351 ( -5.229 0.000 -2.637) 5.857 5.527 ( -6.237 0.000 0.550) 6.261 5.687 ( -0.300 0.000 0.443) 0.535 5.757 ( -4.237 0.000 -3.442) 5.459 5.818 ( -2.194 0.000 0.285) 2.212 5.981 ( 11.583 0.000 -1.688) 11.706 7.960 ( 2.193 0.000 -2.035) 2.992 8.287 ( 7.061 0.000 1.815) 7.291 8.405 ( -6.361 0.000 0.310) 6.369 8.520 ( -1.498 0.000 1.509) 2.126 8.703 ( 8.382 0.000 3.362) 9.031 8.727 ( 4.130 0.000 -6.584) 7.772 9.163 ( -8.592 0.000 3.090) 9.131 9.505 ( -4.909 0.000 3.197) 5.859 9.621 ( 0.581 0.000 -6.061) 6.089 9.688 ( -2.307 0.000 15.954) 16.120 10.085 ( -2.909 0.000 -1.389) 3.224 10.189 ( -5.189 0.000 -11.883) 12.967 10.453 ( 1.096 0.000 2.630) 2.849 10.649 ( -6.069 0.000 0.671) 6.106 10.886 ( -11.161 0.000 2.437) 11.424 10.954 ( 4.830 0.000 -3.828) 6.163 11.058 ( -7.585 0.000 1.145) 7.671 11.196 ( 1.785 0.000 2.188) 2.824 11.525 ( -0.414 0.000 -5.689) 5.704 11.615 ( 8.972 0.000 1.222) 9.055 19.152 ( -1.592 0.000 1.757) 2.371 19.393 ( 0.483 0.000 -2.017) 2.074 19.511 ( 1.192 0.000 7.258) 7.355 19.822 ( 11.228 0.000 -3.193) 11.673 20.404 ( -7.720 0.000 1.079) 7.795 20.406 ( -6.345 0.000 0.252) 6.350 20.698 ( -5.203 0.000 -2.282) 5.682 20.930 ( 1.212 0.000 5.183) 5.323 20.986 ( 1.891 0.000 0.602) 1.984 21.222 ( 5.741 0.000 -2.663) 6.328 21.597 ( -7.301 0.000 7.995) 10.827 21.801 ( 0.126 0.000 -1.046) 1.053 21.868 ( -0.070 0.000 -0.255) 0.265 22.026 ( 2.129 0.000 -1.210) 2.449 22.043 ( 2.267 0.000 1.984) 3.013 22.173 ( -0.540 0.000 -14.536) 14.546 ======================= Grid point 71 (29/92) ======================= q-point: (-0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.417 ( -14.099 0.000 15.173) 20.713 0.513 ( -21.519 0.000 11.631) 24.461 0.853 ( -30.920 0.000 20.326) 37.003 1.542 ( -7.829 0.000 -14.775) 16.721 1.597 ( 2.741 0.000 9.605) 9.989 1.647 ( -0.725 0.000 -6.813) 6.852 1.827 ( 10.508 0.000 -5.314) 11.775 1.879 ( -0.274 0.000 11.245) 11.249 2.051 ( 7.151 0.000 0.283) 7.157 2.281 ( -1.505 0.000 -0.422) 1.563 2.396 ( -2.636 0.000 2.641) 3.731 2.479 ( 4.057 0.000 0.384) 4.075 2.580 ( 1.779 0.000 0.290) 1.802 2.595 ( -2.603 0.000 -0.066) 2.604 2.625 ( 11.415 0.000 11.187) 15.983 2.733 ( -2.140 0.000 1.294) 2.501 2.777 ( 1.041 0.000 5.304) 5.405 2.899 ( 9.261 0.000 0.435) 9.271 2.996 ( 2.206 0.000 -1.214) 2.518 3.047 ( -0.545 0.000 -3.910) 3.947 3.238 ( -0.619 0.000 -4.495) 4.537 3.346 ( 1.897 0.000 -1.026) 2.157 3.495 ( -5.091 0.000 7.192) 8.811 3.644 ( 0.398 0.000 6.509) 6.522 3.700 ( -5.714 0.000 -9.099) 10.744 3.770 ( -2.901 0.000 9.398) 9.835 3.954 ( -11.528 0.000 -16.581) 20.195 4.078 ( -4.671 0.000 -5.585) 7.281 4.171 ( 2.852 0.000 -6.810) 7.383 4.401 ( 4.174 0.000 -1.607) 4.473 4.412 ( -9.773 0.000 2.348) 10.051 4.479 ( -1.782 0.000 1.771) 2.513 4.520 ( 0.028 0.000 -4.093) 4.093 4.575 ( -6.484 0.000 -1.589) 6.675 4.606 ( 2.052 0.000 4.563) 5.003 4.738 ( -3.767 0.000 4.742) 6.057 4.782 ( -1.440 0.000 -2.368) 2.771 4.899 ( 4.132 0.000 -4.493) 6.104 5.027 ( 0.285 0.000 5.329) 5.337 5.033 ( -3.386 0.000 4.368) 5.527 5.154 ( 1.437 0.000 1.291) 1.932 5.259 ( -2.179 0.000 -0.993) 2.394 5.357 ( -3.707 0.000 1.250) 3.912 5.442 ( -0.504 0.000 -1.774) 1.844 5.643 ( -2.974 0.000 -2.809) 4.091 5.677 ( 1.185 0.000 -2.779) 3.021 5.824 ( 0.365 0.000 1.242) 1.294 6.135 ( 8.127 0.000 -1.145) 8.208 8.007 ( 4.074 0.000 -0.408) 4.095 8.284 ( -6.525 0.000 0.476) 6.543 8.348 ( -1.060 0.000 -0.317) 1.107 8.559 ( 4.333 0.000 0.393) 4.351 8.719 ( 1.131 0.000 -4.814) 4.945 8.875 ( 5.920 0.000 2.407) 6.391 9.070 ( -4.553 0.000 3.516) 5.753 9.425 ( -4.609 0.000 -0.764) 4.672 9.613 ( 3.770 0.000 -4.014) 5.507 9.788 ( 0.726 0.000 6.929) 6.967 10.047 ( -0.622 0.000 1.333) 1.471 10.119 ( 2.245 0.000 7.786) 8.103 10.508 ( 2.797 0.000 0.921) 2.945 10.550 ( -4.987 0.000 0.685) 5.034 10.691 ( -10.932 0.000 1.216) 10.999 10.842 ( -9.650 0.000 -12.077) 15.459 11.030 ( 1.556 0.000 -2.111) 2.623 11.241 ( 1.549 0.000 -0.078) 1.551 11.475 ( 0.244 0.000 4.068) 4.075 11.756 ( 5.012 0.000 0.330) 5.022 19.147 ( -1.189 0.000 2.217) 2.516 19.384 ( 0.887 0.000 -2.503) 2.656 19.746 ( 14.542 0.000 23.255) 27.428 19.991 ( 10.374 0.000 -4.052) 11.137 20.302 ( -3.984 0.000 1.373) 4.214 20.315 ( -3.758 0.000 0.526) 3.794 20.586 ( -5.902 0.000 0.406) 5.916 21.011 ( 1.383 0.000 0.717) 1.558 21.063 ( 5.460 0.000 10.928) 12.216 21.266 ( 2.820 0.000 -4.006) 4.899 21.544 ( -6.650 0.000 7.466) 9.998 21.675 ( -19.527 0.000 -39.201) 43.796 21.837 ( -4.441 0.000 -4.820) 6.554 21.873 ( 0.796 0.000 -0.732) 1.081 22.090 ( 0.989 0.000 1.223) 1.573 22.095 ( 1.746 0.000 -1.043) 2.034 ======================= Grid point 72 (30/92) ======================= q-point: ( 0.00 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.592 ( -3.259 19.725 11.272) 22.951 0.715 ( 0.420 16.102 19.214) 25.072 1.196 ( -1.634 31.211 21.476) 37.922 1.341 ( -1.564 7.455 -6.770) 10.191 1.638 ( 2.772 4.504 -3.399) 6.287 1.834 ( 3.273 4.262 5.844) 7.939 1.989 ( -0.928 5.646 0.090) 5.722 2.039 ( 9.041 3.163 -3.277) 10.124 2.131 ( 0.047 -3.367 1.113) 3.546 2.238 ( -7.066 -2.362 1.148) 7.538 2.320 ( 1.549 2.799 7.345) 8.011 2.544 ( -7.495 -6.920 4.875) 11.305 2.583 ( -5.009 -2.663 4.986) 7.553 2.645 ( -0.671 1.312 2.845) 3.204 2.714 ( 0.658 -0.023 -0.693) 0.956 2.749 ( -0.909 8.123 3.009) 8.710 2.851 ( 0.299 8.587 3.863) 9.420 2.929 ( -0.405 -6.585 -1.458) 6.757 2.977 ( -1.198 1.091 -5.881) 6.100 3.078 ( -1.318 4.699 -4.409) 6.577 3.174 ( 0.891 2.753 -2.775) 4.009 3.316 ( 2.029 2.628 1.902) 3.826 3.357 ( 0.682 -2.122 -7.719) 8.034 3.453 ( -1.080 2.661 -5.579) 6.275 3.570 ( -0.763 5.673 0.649) 5.761 3.779 ( -0.704 6.656 5.282) 8.526 3.952 ( 1.291 0.977 2.176) 2.712 4.047 ( 5.134 -2.603 0.389) 5.770 4.208 ( 3.180 -7.066 -1.923) 7.984 4.292 ( -0.256 2.856 -1.287) 3.143 4.395 ( -0.677 -0.759 0.492) 1.130 4.433 ( -1.924 0.393 3.627) 4.124 4.484 ( -0.944 -3.615 -1.455) 4.009 4.596 ( 1.593 1.348 -1.752) 2.725 4.660 ( -0.724 1.918 -0.885) 2.233 4.708 ( -7.620 -0.417 0.622) 7.657 4.779 ( -2.318 -3.700 2.424) 4.994 4.801 ( 0.279 3.667 1.894) 4.136 4.939 ( 2.579 -7.114 1.313) 7.680 4.999 ( 6.254 -6.034 -2.546) 9.056 5.068 ( -2.743 -2.525 3.354) 5.015 5.265 ( 2.634 -0.407 1.558) 3.087 5.393 ( 0.358 0.935 0.211) 1.023 5.477 ( -0.739 4.849 -0.205) 4.909 5.613 ( 1.977 -1.339 4.425) 5.028 5.769 ( 0.625 5.658 -1.762) 5.959 5.791 ( -1.878 1.392 -1.754) 2.923 6.395 ( 1.093 0.238 -15.405) 15.446 8.129 ( 2.412 3.327 2.329) 4.723 8.220 ( -1.097 0.299 1.367) 1.778 8.354 ( 0.221 1.659 -0.131) 1.678 8.553 ( -4.924 2.821 -7.249) 9.206 8.727 ( 4.196 -3.868 3.041) 6.467 8.881 ( -3.366 -3.687 -0.469) 5.014 9.077 ( 1.605 -1.611 8.025) 8.341 9.386 ( 1.352 7.337 -1.261) 7.566 9.587 ( -13.449 -7.617 4.599) 16.126 9.716 ( 4.505 3.337 -0.615) 5.639 9.861 ( 2.729 -0.957 -0.771) 2.993 10.192 ( -1.589 -4.782 5.713) 7.618 10.258 ( 1.905 -15.441 -3.757) 16.005 10.485 ( -1.715 -1.538 -0.136) 2.308 10.526 ( 0.584 -1.848 0.536) 2.011 10.764 ( 0.007 -6.684 -6.937) 9.634 11.081 ( 0.718 10.432 3.608) 11.061 11.367 ( -0.277 4.065 4.674) 6.200 11.705 ( 1.051 -2.232 -5.334) 5.877 11.845 ( 1.436 4.453 -8.545) 9.742 19.159 ( -0.960 0.948 2.638) 2.963 19.375 ( 0.128 -0.870 -1.739) 1.949 19.841 ( -19.049 -13.170 17.752) 29.180 20.108 ( 5.799 -1.483 -0.591) 6.014 20.211 ( 11.064 -2.635 2.963) 11.753 20.263 ( -3.981 -0.132 -0.459) 4.009 20.289 ( 1.102 -1.060 2.297) 2.759 20.631 ( -1.299 -7.860 -4.528) 9.164 21.120 ( -1.756 5.486 1.755) 6.021 21.248 ( 4.067 2.841 6.388) 8.088 21.422 ( -0.545 1.222 -0.888) 1.606 21.786 ( 0.964 -2.060 -2.819) 3.622 21.863 ( -1.228 1.140 -1.664) 2.361 21.887 ( 1.607 0.786 -1.340) 2.235 22.170 ( -0.541 8.129 0.966) 8.205 22.614 ( 6.364 23.042 -26.039) 35.347 ======================= Grid point 73 (31/92) ======================= q-point: ( 0.11 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( 8.799 14.131 10.501) 19.682 0.971 ( 6.741 11.640 15.960) 20.873 1.341 ( 9.505 5.418 -6.219) 12.585 1.479 ( 5.082 23.115 9.785) 25.611 1.635 ( 4.718 11.937 -4.267) 13.526 1.926 ( 0.605 0.591 3.602) 3.700 1.990 ( -0.097 -1.093 1.028) 1.504 2.067 ( -3.621 -0.730 4.865) 6.108 2.147 ( -3.169 0.332 4.668) 5.652 2.252 ( 8.179 -0.613 1.031) 8.266 2.419 ( -0.849 1.714 7.707) 7.941 2.485 ( -6.997 2.430 3.912) 8.377 2.535 ( -1.146 -0.486 1.780) 2.172 2.599 ( -3.921 -0.792 -1.355) 4.224 2.718 ( -1.117 5.296 0.041) 5.412 2.743 ( -1.835 7.667 2.335) 8.222 2.795 ( -7.689 5.507 -1.585) 9.589 2.878 ( 0.157 2.516 2.766) 3.743 2.937 ( 3.451 1.159 -4.565) 5.839 2.990 ( -5.283 -1.967 -2.551) 6.187 3.151 ( -0.650 2.658 -10.630) 10.977 3.196 ( 0.576 8.201 -8.093) 11.536 3.415 ( 6.696 -5.613 0.289) 8.742 3.546 ( 3.729 0.174 -1.582) 4.054 3.624 ( 7.217 5.042 2.308) 9.102 3.777 ( -3.562 7.329 3.421) 8.838 4.000 ( 2.231 -3.612 -0.994) 4.360 4.148 ( -2.591 -1.991 0.623) 3.327 4.153 ( -0.362 -1.241 0.768) 1.504 4.324 ( -0.207 -0.526 -4.612) 4.647 4.386 ( 5.146 2.165 -3.761) 6.732 4.454 ( 0.682 -2.539 -1.074) 2.840 4.501 ( 3.975 0.919 4.020) 5.727 4.535 ( -2.901 3.098 -0.416) 4.265 4.675 ( 4.253 -4.699 2.246) 6.724 4.706 ( 2.416 -5.906 2.757) 6.951 4.813 ( 2.686 -0.011 0.842) 2.815 4.887 ( 4.940 3.524 2.131) 6.432 4.967 ( -0.348 -7.332 1.886) 7.578 5.084 ( 0.848 -0.405 3.378) 3.507 5.133 ( 9.357 -5.078 -4.026) 11.382 5.305 ( -0.978 -0.932 -4.074) 4.292 5.381 ( 2.933 1.196 1.014) 3.326 5.512 ( 3.156 1.382 1.243) 3.663 5.645 ( -6.305 -0.829 6.532) 9.116 5.727 ( -0.904 3.249 -1.873) 3.857 5.804 ( 3.601 5.306 -0.134) 6.414 6.147 ( -9.906 1.367 -12.567) 16.060 8.141 ( -3.131 1.449 3.797) 5.130 8.287 ( 4.899 0.139 1.163) 5.037 8.368 ( -5.853 4.740 -5.649) 9.415 8.396 ( 3.836 2.483 -0.667) 4.618 8.744 ( -6.347 -1.934 -1.151) 6.734 8.935 ( 7.145 -2.845 5.343) 9.364 9.088 ( -3.749 4.153 1.116) 5.705 9.388 ( -1.400 -0.199 -4.848) 5.050 9.425 ( -3.376 4.897 3.383) 6.843 9.772 ( 1.960 4.084 1.445) 4.755 9.984 ( 5.354 -13.075 5.412) 15.130 10.144 ( 0.742 -16.249 -5.218) 17.082 10.395 ( 5.444 -4.514 5.657) 9.057 10.504 ( 5.450 -0.440 -1.781) 5.751 10.594 ( 5.779 -0.517 -0.210) 5.806 10.724 ( 2.728 -7.490 -4.977) 9.397 11.138 ( 0.921 8.870 4.182) 9.850 11.357 ( -2.397 7.513 -0.992) 7.948 11.646 ( -3.506 -4.281 -1.078) 5.637 11.749 ( -3.902 0.459 -3.022) 4.957 19.172 ( -0.563 0.920 2.919) 3.112 19.359 ( 0.153 -1.157 -1.568) 1.955 19.654 ( -11.163 1.474 7.607) 13.588 20.067 ( -11.238 -2.932 0.541) 11.627 20.251 ( 5.914 -1.094 0.168) 6.016 20.319 ( 3.294 0.144 0.138) 3.300 20.527 ( 12.545 -7.582 5.513) 15.660 20.687 ( 8.588 -6.208 -5.783) 12.072 21.113 ( -1.949 5.363 3.180) 6.532 21.342 ( 3.711 5.974 -1.923) 7.291 21.381 ( -5.269 -1.015 1.963) 5.713 21.793 ( 2.329 -4.797 -2.939) 6.089 21.844 ( 0.348 1.866 0.063) 1.900 21.908 ( 2.420 -2.410 -1.464) 3.716 22.151 ( -2.491 8.124 0.872) 8.542 22.441 ( -1.983 15.444 -12.775) 20.141 ======================= Grid point 74 (32/92) ======================= q-point: ( 0.22 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 7.498 8.072 6.752) 12.922 1.228 ( 6.025 7.819 10.301) 14.267 1.421 ( 6.384 5.201 -8.748) 12.014 1.625 ( 9.640 14.047 -3.010) 17.301 1.683 ( 2.818 8.937 -3.990) 10.184 1.910 ( -8.106 0.233 1.572) 8.260 1.985 ( 0.568 -1.435 0.762) 1.721 2.035 ( -3.773 0.375 2.147) 4.357 2.181 ( -3.412 2.515 7.599) 8.701 2.226 ( -6.428 1.452 -6.237) 9.074 2.348 ( -8.306 3.846 -3.586) 9.830 2.459 ( -2.844 1.722 1.186) 3.530 2.494 ( 0.175 3.560 8.286) 9.020 2.593 ( 0.566 2.428 1.732) 3.036 2.644 ( -7.449 4.931 2.446) 9.262 2.687 ( -2.126 4.541 2.638) 5.666 2.811 ( 2.328 5.704 6.105) 8.674 2.899 ( -1.165 0.650 -1.451) 1.971 2.958 ( 6.693 -2.092 -1.297) 7.131 3.022 ( 4.926 8.874 0.876) 10.188 3.110 ( 0.949 4.340 -5.929) 7.409 3.129 ( 5.926 5.081 -8.106) 11.253 3.522 ( 1.940 -4.123 0.717) 4.612 3.580 ( 0.842 -1.198 3.154) 3.477 3.727 ( -3.770 3.594 1.742) 5.492 3.779 ( 6.514 1.637 0.485) 6.734 4.006 ( -5.410 3.108 3.961) 7.390 4.075 ( 5.364 -6.487 -4.780) 9.680 4.142 ( -1.340 -2.696 -4.751) 5.625 4.284 ( -0.258 3.150 -0.094) 3.162 4.399 ( 2.193 3.888 -5.982) 7.464 4.492 ( -1.570 0.736 5.432) 5.702 4.581 ( 9.124 -3.050 1.059) 9.678 4.671 ( 6.714 -2.393 0.093) 7.128 4.743 ( 2.078 -5.627 -0.607) 6.030 4.833 ( 7.318 -6.623 5.160) 11.138 4.870 ( 4.123 1.033 -2.362) 4.862 4.951 ( -0.300 -0.547 2.897) 2.964 5.009 ( 2.293 2.455 2.559) 4.223 5.160 ( 2.166 1.413 3.163) 4.086 5.187 ( 0.767 2.110 -1.045) 2.477 5.286 ( 4.558 -7.399 -5.015) 10.033 5.429 ( -1.451 1.755 3.567) 4.232 5.561 ( 1.103 -1.895 -3.779) 4.369 5.640 ( 2.672 2.962 3.174) 5.098 5.700 ( -0.170 2.285 -0.811) 2.431 5.809 ( -5.098 -0.943 -4.378) 6.786 5.917 ( 0.105 5.406 -4.251) 6.878 8.105 ( -3.335 0.665 -0.982) 3.539 8.215 ( -4.212 6.068 0.925) 7.445 8.404 ( 3.775 1.232 0.156) 3.974 8.475 ( 1.541 4.194 1.418) 4.688 8.593 ( -4.896 1.464 -2.457) 5.671 8.921 ( -9.898 -3.610 2.518) 10.833 9.173 ( 8.929 2.374 -1.674) 9.390 9.352 ( 1.101 5.285 2.348) 5.888 9.441 ( 2.842 -4.217 -0.954) 5.174 9.843 ( 4.328 4.701 1.340) 6.529 10.115 ( 1.556 -11.399 3.648) 12.070 10.121 ( 3.566 -13.403 -3.849) 14.393 10.496 ( 2.340 -9.836 2.440) 10.400 10.624 ( 5.913 -0.349 -1.272) 6.058 10.704 ( 4.537 -2.692 -1.491) 5.483 10.781 ( 6.968 -8.091 -0.271) 10.681 11.200 ( 2.186 10.415 2.775) 10.998 11.298 ( -1.836 8.244 -0.547) 8.464 11.536 ( -7.039 -3.499 -0.640) 7.887 11.676 ( -1.856 -1.147 -1.467) 2.629 19.193 ( -0.340 0.809 3.032) 3.156 19.351 ( 0.710 -1.203 -1.792) 2.273 19.553 ( -6.243 2.042 3.544) 7.464 19.844 ( -11.181 -1.938 -1.253) 11.417 20.379 ( 6.667 -1.831 0.155) 6.916 20.415 ( 6.716 -0.512 1.077) 6.821 20.728 ( 4.870 -3.085 -1.378) 5.927 20.825 ( 8.957 -4.627 2.066) 10.290 21.105 ( -2.549 6.005 3.839) 7.569 21.249 ( -7.585 0.211 -2.193) 7.898 21.404 ( 5.430 4.422 -1.842) 7.241 21.814 ( 1.322 -1.372 0.465) 1.961 21.857 ( 1.194 0.980 -0.576) 1.648 21.944 ( 1.940 -2.384 -0.810) 3.179 22.098 ( -3.831 7.484 0.503) 8.423 22.317 ( -1.179 6.395 -6.590) 9.258 ======================= Grid point 75 (33/92) ======================= q-point: ( 0.33 0.14 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( -6.647 13.216 -2.491) 15.002 1.175 ( -1.807 8.502 -5.745) 10.419 1.503 ( 5.325 -0.477 -0.141) 5.348 1.677 ( -1.369 1.765 -2.650) 3.466 1.744 ( -2.424 5.071 2.352) 6.093 1.776 ( 10.108 4.727 -9.100) 14.399 1.964 ( -1.840 -0.140 -4.046) 4.447 2.004 ( -1.624 5.241 5.724) 7.928 2.113 ( 0.207 6.668 -2.183) 7.019 2.183 ( -1.788 6.962 2.340) 7.560 2.242 ( -0.314 0.798 1.319) 1.573 2.441 ( -4.777 -1.115 2.305) 5.420 2.508 ( -2.386 3.884 -0.035) 4.559 2.532 ( -3.886 7.846 5.841) 10.525 2.624 ( -3.317 -0.008 2.544) 4.180 2.721 ( 0.466 3.279 5.573) 6.483 2.848 ( -0.474 2.378 -0.508) 2.478 2.926 ( 1.146 3.468 3.513) 5.068 2.965 ( -4.924 2.410 1.623) 5.717 3.050 ( -0.350 5.277 -1.030) 5.388 3.143 ( 1.081 4.830 0.353) 4.962 3.215 ( 13.498 8.383 -12.291) 20.088 3.526 ( -0.063 -2.306 -0.206) 2.316 3.646 ( -2.591 -0.441 7.612) 8.053 3.723 ( 3.487 -0.877 2.247) 4.240 3.746 ( -9.981 -1.388 4.702) 11.120 4.026 ( 0.522 -2.317 -3.577) 4.294 4.114 ( 4.774 -3.655 -2.527) 6.522 4.154 ( 7.508 -2.617 -2.841) 8.443 4.288 ( 0.184 7.280 0.709) 7.317 4.402 ( 3.799 1.753 -3.732) 5.606 4.520 ( -0.963 1.377 3.563) 3.939 4.662 ( -0.958 -4.199 -0.310) 4.318 4.775 ( 3.774 -4.948 -0.765) 6.270 4.816 ( 7.574 -4.677 0.522) 8.917 4.917 ( 3.663 0.909 -2.642) 4.607 4.984 ( 0.949 -0.293 2.554) 2.740 5.004 ( 3.494 0.984 4.433) 5.730 5.081 ( 3.020 0.944 1.762) 3.622 5.170 ( 3.015 3.655 -1.778) 5.061 5.251 ( -0.455 1.039 -0.680) 1.323 5.296 ( 4.736 -3.462 -1.093) 5.967 5.400 ( -5.866 -0.858 4.442) 7.408 5.571 ( -4.776 0.428 -1.583) 5.050 5.611 ( 6.273 -3.361 -5.636) 9.078 5.707 ( 4.886 1.818 -2.680) 5.862 5.808 ( 0.578 -0.336 2.702) 2.784 5.915 ( 0.694 6.180 -1.136) 6.321 8.021 ( -2.064 2.461 -2.797) 4.259 8.205 ( -2.241 3.983 5.943) 7.497 8.344 ( -7.612 4.207 -3.511) 9.379 8.450 ( 0.858 5.335 0.016) 5.404 8.635 ( 3.041 0.030 2.105) 3.699 8.766 ( -6.949 -4.633 0.001) 8.352 9.248 ( 4.004 2.989 -3.899) 6.337 9.457 ( 2.499 5.051 7.315) 9.234 9.523 ( 6.616 -5.426 -1.483) 8.684 9.949 ( 5.431 1.826 1.258) 5.866 10.110 ( 1.231 -6.504 -2.110) 6.948 10.204 ( 2.386 -7.009 0.963) 7.467 10.550 ( 2.902 -14.549 -0.860) 14.860 10.625 ( -1.302 -6.351 -3.482) 7.359 10.753 ( 2.192 -4.777 -1.969) 5.613 10.907 ( 3.399 -5.671 2.190) 6.965 11.242 ( 0.236 8.216 1.240) 8.313 11.329 ( 3.741 7.806 2.426) 8.990 11.420 ( -4.259 -0.235 0.203) 4.270 11.628 ( -1.456 0.163 -2.690) 3.063 19.215 ( -0.509 0.607 2.894) 3.001 19.350 ( 1.157 -1.308 -1.811) 2.516 19.485 ( -3.735 1.496 1.421) 4.267 19.658 ( -7.141 -0.708 -1.423) 7.316 20.500 ( 6.749 -2.480 -0.471) 7.206 20.573 ( 7.924 -0.183 2.370) 8.273 20.766 ( 2.524 -0.449 -3.307) 4.184 20.925 ( -0.585 -2.035 1.583) 2.644 21.064 ( -6.803 2.000 -1.131) 7.181 21.122 ( -1.892 6.353 1.332) 6.762 21.527 ( 7.143 -1.986 2.188) 7.730 21.848 ( 1.651 1.859 0.767) 2.602 21.876 ( 0.943 0.551 -0.343) 1.144 21.951 ( -0.726 1.851 0.310) 2.012 22.025 ( -4.233 6.704 0.141) 7.930 22.265 ( 1.318 -0.991 -4.780) 5.056 ======================= Grid point 76 (34/92) ======================= q-point: ( 0.44 0.14 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( 0.842 22.129 -0.767) 22.159 1.261 ( 2.324 4.719 4.785) 7.111 1.555 ( 3.993 -2.963 -2.091) 5.394 1.571 ( -4.736 1.654 2.501) 5.605 1.802 ( 5.294 5.771 -5.921) 9.818 1.857 ( -1.208 1.041 -5.962) 6.172 1.912 ( 2.727 2.361 -5.398) 6.492 2.005 ( -2.837 -2.170 4.448) 5.705 2.120 ( -1.590 4.762 -2.869) 5.783 2.173 ( 1.272 6.251 -0.232) 6.383 2.271 ( 1.605 13.664 -0.182) 13.759 2.384 ( -1.647 2.169 2.188) 3.493 2.428 ( -4.951 7.918 0.403) 9.347 2.524 ( -4.104 -1.978 -0.989) 4.662 2.589 ( -0.482 0.956 3.471) 3.633 2.773 ( 0.257 0.107 1.241) 1.272 2.816 ( -2.959 4.918 -1.100) 5.844 2.909 ( -1.352 5.852 -0.447) 6.023 2.942 ( -4.796 4.432 10.172) 12.087 3.032 ( -0.081 8.178 1.844) 8.383 3.158 ( 2.622 2.642 0.291) 3.734 3.374 ( 11.104 6.021 -5.285) 13.693 3.506 ( -1.231 -1.361 -2.327) 2.963 3.606 ( -4.415 -4.317 4.814) 7.830 3.647 ( -4.885 -2.028 3.640) 6.421 3.822 ( 0.106 0.996 4.044) 4.166 4.013 ( 1.961 -2.496 0.424) 3.203 4.142 ( 3.980 -6.036 -3.791) 8.163 4.272 ( 3.578 1.571 -3.739) 5.409 4.304 ( 0.428 4.945 2.759) 5.679 4.433 ( -0.981 -0.994 -1.378) 1.962 4.517 ( 1.617 2.969 -1.456) 3.681 4.640 ( -1.589 0.007 2.054) 2.597 4.821 ( 2.032 -4.893 0.696) 5.344 4.918 ( 1.556 -4.935 -2.127) 5.595 4.928 ( 0.756 1.029 0.104) 1.281 5.029 ( 2.128 -2.278 -0.061) 3.118 5.088 ( 0.562 2.628 2.711) 3.817 5.123 ( 4.011 3.900 -0.301) 5.602 5.190 ( -2.409 1.213 0.368) 2.722 5.242 ( -2.207 1.371 -0.982) 2.778 5.351 ( 1.315 -4.548 1.103) 4.861 5.370 ( 2.684 -0.198 -4.151) 4.947 5.499 ( -1.779 -0.876 1.715) 2.622 5.638 ( 1.091 -3.689 -3.002) 4.879 5.790 ( -0.957 0.651 -1.455) 1.859 5.817 ( 4.723 4.688 0.981) 6.727 5.922 ( -0.025 2.449 1.068) 2.672 7.993 ( 0.755 2.610 -0.599) 2.783 8.156 ( -5.425 3.662 -1.495) 6.714 8.274 ( 0.602 3.451 3.557) 4.992 8.466 ( -0.064 6.729 2.563) 7.201 8.639 ( -1.346 -3.310 -2.543) 4.386 8.712 ( -0.645 -0.898 1.537) 1.894 9.285 ( 2.309 2.357 -0.302) 3.314 9.554 ( 1.718 2.630 4.164) 5.216 9.595 ( 0.882 -3.683 -0.134) 3.790 10.040 ( 2.080 -7.405 0.363) 7.700 10.118 ( 0.990 6.050 -2.829) 6.751 10.199 ( -0.520 -1.894 -1.842) 2.692 10.585 ( -0.467 -11.744 0.853) 11.784 10.619 ( 4.954 -15.525 -3.170) 16.602 10.749 ( 1.456 -7.914 -0.855) 8.092 10.919 ( -3.268 -4.608 0.687) 5.691 11.271 ( 1.259 5.658 1.761) 6.058 11.351 ( -4.336 2.734 3.057) 5.968 11.439 ( 4.452 4.779 -1.111) 6.625 11.572 ( -0.853 3.807 -3.095) 4.980 19.224 ( -1.443 0.440 2.301) 2.752 19.358 ( 1.133 -1.875 -1.019) 2.416 19.451 ( -0.567 1.651 0.103) 1.748 19.557 ( -2.637 -0.038 -0.746) 2.741 20.606 ( 4.279 -3.390 -0.192) 5.463 20.733 ( 3.771 -3.242 1.230) 5.124 20.764 ( 2.451 4.085 -1.279) 4.932 20.888 ( -3.037 0.267 0.927) 3.187 20.938 ( -3.991 1.170 -0.663) 4.212 21.098 ( -1.398 7.678 -2.273) 8.129 21.669 ( 3.181 -5.942 5.321) 8.587 21.869 ( -0.612 3.959 -0.277) 4.016 21.891 ( 1.711 3.350 0.268) 3.771 21.936 ( -1.506 1.462 0.059) 2.100 21.960 ( -2.274 5.624 1.037) 6.155 22.258 ( 2.412 -3.922 -4.380) 6.355 ======================= Grid point 77 (35/92) ======================= q-point: (-0.44 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( 12.279 13.390 10.573) 21.020 1.302 ( -4.772 5.084 0.689) 7.007 1.549 ( 0.066 2.171 -0.240) 2.185 1.621 ( 3.633 -2.544 1.612) 4.719 1.732 ( -7.231 3.618 -7.662) 11.139 1.767 ( -3.366 0.742 -5.163) 6.208 1.848 ( 6.849 0.989 -4.602) 8.311 1.971 ( 0.797 3.428 -4.385) 5.622 2.105 ( 0.552 3.858 0.722) 3.963 2.195 ( 0.289 6.518 -2.551) 7.005 2.239 ( -2.234 7.787 0.462) 8.114 2.331 ( -4.653 10.307 1.068) 11.359 2.456 ( 3.049 2.231 0.096) 3.779 2.476 ( 1.348 0.774 0.815) 1.755 2.594 ( -0.898 5.076 3.018) 5.973 2.721 ( -6.834 6.066 2.228) 9.405 2.774 ( -0.651 -0.088 -1.545) 1.679 2.916 ( 2.850 5.164 1.175) 6.014 2.964 ( -1.501 6.895 0.903) 7.114 3.070 ( -0.998 5.426 5.460) 7.762 3.226 ( 2.687 2.008 1.426) 3.645 3.472 ( -1.280 -3.336 -0.442) 3.600 3.500 ( 4.105 0.399 0.275) 4.134 3.578 ( 3.319 1.876 -0.918) 3.922 3.683 ( 0.120 -2.545 8.314) 8.696 3.799 ( -4.678 0.860 2.041) 5.176 4.065 ( 2.247 -3.818 -0.310) 4.441 4.204 ( -7.819 -1.950 -3.258) 8.693 4.219 ( 6.774 -5.569 -1.343) 8.872 4.290 ( -3.668 5.642 -0.133) 6.731 4.365 ( 0.559 4.076 -3.224) 5.226 4.554 ( 0.833 -0.224 0.555) 1.026 4.659 ( 0.082 1.404 4.280) 4.506 4.822 ( -2.317 -4.665 -3.309) 6.171 4.895 ( -2.095 -2.040 2.544) 3.876 4.936 ( -0.790 -0.728 -0.319) 1.121 5.003 ( -6.808 -2.847 -0.899) 7.434 5.054 ( -2.493 -0.977 -0.712) 2.770 5.106 ( -4.342 1.562 0.798) 4.683 5.181 ( 0.423 2.797 -2.902) 4.053 5.234 ( 2.315 3.453 -2.822) 5.025 5.308 ( -4.090 3.907 3.324) 6.561 5.452 ( 7.252 -2.024 -1.634) 7.705 5.517 ( -0.015 -2.683 2.834) 3.903 5.602 ( -0.404 -4.906 -2.947) 5.737 5.770 ( 0.732 3.218 -2.610) 4.208 5.843 ( -2.846 0.443 1.203) 3.121 5.957 ( 1.627 2.516 1.418) 3.315 8.035 ( 2.967 2.284 1.172) 3.923 8.067 ( -1.160 4.713 -2.880) 5.644 8.355 ( 3.398 2.960 4.760) 6.555 8.506 ( 0.988 5.391 3.672) 6.598 8.598 ( -0.416 -2.970 -2.933) 4.194 8.711 ( 0.147 1.013 -0.344) 1.080 9.312 ( -0.683 -0.963 1.112) 1.622 9.551 ( -5.282 -1.411 2.917) 6.196 9.598 ( -0.552 0.867 1.746) 2.026 9.976 ( -4.620 4.955 -5.191) 8.535 10.116 ( 0.679 -4.683 0.132) 4.733 10.205 ( 1.371 -3.767 -1.603) 4.318 10.556 ( -4.091 -13.115 -0.390) 13.744 10.654 ( 2.611 -13.044 -1.231) 13.360 10.807 ( -2.320 -4.105 -1.104) 4.843 10.880 ( 4.996 -8.449 0.599) 9.834 11.281 ( -4.262 2.909 1.135) 5.283 11.315 ( 0.088 4.879 3.035) 5.747 11.433 ( -2.743 5.449 -1.347) 6.248 11.579 ( 3.650 4.539 -2.659) 6.403 19.207 ( -2.278 0.532 1.528) 2.794 19.368 ( 0.380 -2.449 -0.008) 2.479 19.460 ( 1.145 1.977 -0.131) 2.288 19.551 ( 3.136 -0.078 -0.824) 3.243 20.622 ( -2.996 -2.764 0.766) 4.147 20.652 ( -6.165 -1.648 -1.664) 6.594 20.851 ( -1.310 1.875 1.278) 2.620 20.884 ( 1.865 2.147 1.233) 3.100 20.950 ( 5.854 -0.112 -0.295) 5.863 21.034 ( -0.563 6.899 -3.957) 7.974 21.713 ( -4.507 -3.482 6.062) 8.318 21.869 ( -2.242 1.503 -0.278) 2.713 21.887 ( 2.313 2.885 0.361) 3.716 21.921 ( -0.758 2.286 -0.422) 2.445 21.977 ( 2.260 4.547 1.388) 5.264 22.264 ( 2.977 -2.976 -4.396) 6.087 ======================= Grid point 78 (36/92) ======================= q-point: (-0.33 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( -10.397 5.632 -10.698) 15.946 1.225 ( -13.528 5.577 3.940) 15.153 1.526 ( -2.217 4.689 -8.340) 9.821 1.559 ( -1.795 10.766 -2.635) 11.229 1.700 ( 2.277 -0.436 -3.176) 3.932 1.773 ( 5.791 1.547 0.172) 5.996 1.944 ( 0.025 5.207 1.642) 5.460 1.993 ( 0.673 9.567 -3.549) 10.227 2.134 ( -3.640 10.193 1.342) 10.906 2.197 ( 11.185 -1.482 1.773) 11.421 2.260 ( 0.907 2.912 5.781) 6.537 2.339 ( 5.819 2.469 -1.163) 6.427 2.449 ( -0.973 0.462 -2.869) 3.064 2.507 ( -0.434 1.727 1.681) 2.449 2.650 ( 1.182 3.755 2.463) 4.643 2.674 ( -1.047 5.458 5.545) 7.851 2.759 ( 1.264 6.097 0.883) 6.289 2.866 ( -4.628 4.359 -3.213) 7.123 2.994 ( 0.956 9.541 -2.523) 9.915 3.063 ( -1.411 0.645 2.922) 3.308 3.245 ( -1.229 -2.399 0.561) 2.753 3.468 ( 0.577 -2.361 0.203) 2.439 3.559 ( -7.324 0.760 4.149) 8.452 3.606 ( 2.530 -0.279 2.850) 3.821 3.715 ( -3.071 4.001 1.718) 5.329 3.825 ( 4.549 -3.009 5.441) 7.704 4.006 ( -5.348 0.494 -2.834) 6.072 4.096 ( 2.380 -2.191 -3.645) 4.874 4.220 ( -2.313 4.474 -0.471) 5.058 4.301 ( 2.443 -5.673 -3.934) 7.323 4.389 ( 1.460 1.068 3.793) 4.202 4.546 ( -1.909 -1.540 0.013) 2.452 4.673 ( -3.284 -1.647 1.200) 3.864 4.747 ( -0.886 -0.843 -0.183) 1.236 4.848 ( -5.551 -3.280 -1.549) 6.631 4.856 ( -5.573 -3.190 -1.019) 6.502 4.876 ( -6.633 -0.852 2.442) 7.120 4.965 ( -5.387 3.655 -1.006) 6.587 5.049 ( -3.755 1.606 0.098) 4.085 5.160 ( -1.690 4.058 -1.048) 4.519 5.190 ( 0.641 1.963 -2.370) 3.143 5.278 ( -1.349 2.108 1.255) 2.800 5.458 ( -4.952 -2.443 -1.858) 5.826 5.548 ( -0.630 -4.211 2.261) 4.821 5.707 ( 3.914 0.695 -0.481) 4.004 5.736 ( 4.501 0.498 0.390) 4.546 5.798 ( -0.753 -2.203 -1.878) 2.991 5.973 ( -0.383 4.964 0.284) 4.987 8.018 ( 0.024 4.842 -2.559) 5.477 8.160 ( 7.161 3.466 2.484) 8.334 8.451 ( 0.819 -0.090 1.365) 1.595 8.534 ( -2.446 1.987 2.795) 4.213 8.600 ( 4.223 3.014 1.001) 5.284 8.727 ( 3.505 1.215 -2.568) 4.512 9.244 ( -6.750 -3.184 -0.651) 7.492 9.501 ( -1.961 -9.040 0.151) 9.251 9.604 ( -3.869 8.831 10.048) 13.926 9.841 ( -4.222 6.516 -4.447) 8.948 10.066 ( -4.388 -8.560 -2.251) 9.879 10.250 ( 4.107 -6.112 -0.395) 7.374 10.402 ( -9.711 -10.524 -3.564) 14.757 10.686 ( 0.798 -14.059 -2.230) 14.257 10.742 ( -0.705 -1.074 -1.497) 1.972 10.948 ( -2.614 -6.953 2.654) 7.888 11.219 ( -3.075 4.314 1.302) 5.455 11.322 ( -3.746 7.139 1.680) 8.236 11.429 ( 5.648 0.934 0.652) 5.761 11.611 ( 2.994 4.699 -3.235) 6.443 19.179 ( -2.087 0.710 1.343) 2.582 19.370 ( -0.218 -2.631 0.221) 2.649 19.485 ( 1.334 2.299 0.687) 2.745 19.649 ( 8.275 -0.795 -1.703) 8.486 20.506 ( -7.405 -1.665 -0.891) 7.642 20.548 ( -6.390 -0.653 2.250) 6.806 20.770 ( -6.230 -1.241 -3.414) 7.212 20.910 ( 0.368 0.275 1.253) 1.335 21.003 ( 2.448 5.836 -0.516) 6.350 21.115 ( 7.482 1.225 -0.209) 7.585 21.653 ( -7.428 -1.354 5.169) 9.150 21.828 ( -1.477 0.638 -0.008) 1.609 21.893 ( -1.606 1.829 -0.052) 2.435 21.941 ( 1.860 -2.356 0.424) 3.031 22.042 ( 3.206 5.629 0.846) 6.533 22.293 ( 5.540 2.924 -4.851) 7.923 ======================= Grid point 79 (37/92) ======================= q-point: (-0.22 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( -11.012 10.689 -4.476) 15.986 0.955 ( -17.333 9.755 4.054) 20.298 1.411 ( -2.743 15.605 -4.163) 16.382 1.537 ( -1.523 9.057 2.166) 9.436 1.720 ( 4.712 1.939 -7.544) 9.104 1.769 ( -4.875 2.185 -0.900) 5.417 1.918 ( -5.076 10.800 2.117) 12.120 1.930 ( 0.007 2.185 -3.580) 4.195 2.065 ( -4.597 11.801 1.751) 12.785 2.303 ( 2.401 -3.188 -0.926) 4.097 2.338 ( 0.876 -0.048 -2.708) 2.847 2.379 ( 0.563 0.415 3.354) 3.426 2.526 ( 0.983 2.343 2.259) 3.399 2.587 ( 5.944 1.326 0.718) 6.132 2.641 ( 4.187 0.939 3.663) 5.642 2.718 ( 0.325 6.519 1.285) 6.653 2.777 ( 0.209 4.626 -1.994) 5.042 2.852 ( -0.435 3.142 3.517) 4.736 2.981 ( 2.034 6.481 -1.457) 6.947 3.063 ( -0.942 -1.138 1.054) 1.815 3.242 ( 0.371 1.266 0.414) 1.382 3.394 ( -6.616 1.418 1.106) 6.856 3.475 ( -1.774 -8.938 2.384) 9.419 3.666 ( -0.460 5.499 1.504) 5.719 3.689 ( -1.873 3.401 4.021) 5.590 3.879 ( -6.272 -2.962 1.680) 7.137 3.975 ( 2.103 1.796 -0.741) 2.863 4.101 ( -0.262 -3.865 -2.666) 4.703 4.203 ( -1.429 -2.406 0.059) 2.799 4.287 ( 5.696 -3.031 -4.650) 7.953 4.459 ( 1.408 -1.590 1.908) 2.855 4.494 ( -1.207 -0.546 -0.707) 1.502 4.618 ( -5.833 -3.105 1.319) 6.739 4.631 ( -10.963 -1.917 -0.623) 11.147 4.719 ( -3.416 3.524 2.553) 5.533 4.771 ( -4.119 0.578 -1.957) 4.597 4.840 ( -0.618 -6.149 0.338) 6.190 4.865 ( -3.433 2.574 1.525) 4.554 4.967 ( -4.325 2.253 -0.464) 4.898 5.112 ( -6.266 3.156 1.400) 7.154 5.180 ( 2.701 4.037 -0.918) 4.943 5.314 ( -0.629 -3.837 -2.416) 4.578 5.345 ( -1.542 -0.201 -1.784) 2.367 5.499 ( -5.296 -2.117 2.675) 6.299 5.639 ( -2.506 -3.573 -1.888) 4.755 5.782 ( -0.082 1.744 0.523) 1.822 5.847 ( -0.551 3.135 -2.770) 4.219 6.073 ( 13.341 4.389 -0.575) 14.056 8.014 ( 1.845 5.082 -1.645) 5.651 8.332 ( 7.251 4.710 2.399) 8.974 8.386 ( -5.599 -1.160 -0.835) 5.779 8.520 ( -1.148 0.241 1.888) 2.223 8.697 ( 2.462 0.093 1.215) 2.747 8.811 ( 7.307 5.810 -0.923) 9.381 9.097 ( -7.359 -4.343 -0.928) 8.595 9.455 ( -2.136 -7.743 -1.885) 8.250 9.630 ( -3.820 3.973 6.275) 8.351 9.771 ( -2.735 4.085 5.244) 7.188 9.959 ( -3.981 -6.880 -1.822) 8.155 10.172 ( -6.549 -4.107 -7.565) 10.816 10.319 ( 1.649 -10.503 1.114) 10.690 10.620 ( -5.001 -5.191 -0.025) 7.209 10.764 ( 2.624 -10.583 -1.043) 10.953 10.837 ( -10.012 -4.153 1.421) 10.932 11.178 ( -4.288 9.395 1.674) 10.462 11.274 ( -0.940 3.199 0.090) 3.336 11.582 ( 7.881 -3.144 0.852) 8.528 11.647 ( 5.385 9.284 -3.361) 11.247 19.160 ( -1.560 0.799 1.745) 2.473 19.369 ( -0.024 -2.408 0.348) 2.433 19.530 ( 1.773 2.138 3.612) 4.557 19.807 ( 10.847 -1.585 -2.938) 11.349 20.369 ( -6.456 -1.567 -0.124) 6.644 20.443 ( -7.360 1.328 2.657) 7.936 20.593 ( -8.655 -6.111 -3.505) 11.159 20.924 ( -1.691 -3.797 2.751) 4.985 21.050 ( 2.125 6.377 1.267) 6.840 21.214 ( 3.359 0.129 -2.109) 3.968 21.545 ( -7.873 -2.666 2.366) 8.642 21.822 ( 0.521 0.198 0.396) 0.683 21.863 ( -1.541 1.329 -0.275) 2.054 21.948 ( -0.895 -4.514 -0.495) 4.628 22.106 ( 2.751 6.645 0.749) 7.231 22.394 ( 12.076 13.706 -7.312) 19.676 ======================= Grid point 80 (38/92) ======================= q-point: (-0.11 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.604 ( -9.768 16.855 10.123) 21.954 0.709 ( -14.911 16.975 9.447) 24.490 1.237 ( -18.318 31.746 11.272) 38.346 1.534 ( -2.230 -0.025 1.713) 2.812 1.584 ( -5.653 2.904 -7.513) 9.840 1.776 ( 4.312 3.812 -2.306) 6.200 1.898 ( 5.249 10.630 -3.218) 12.284 1.996 ( 3.669 8.313 6.326) 11.072 2.037 ( 1.750 1.629 0.460) 2.434 2.286 ( -1.381 0.665 -0.351) 1.572 2.328 ( -2.128 -5.538 0.929) 6.005 2.498 ( 6.046 1.645 3.646) 7.249 2.556 ( -0.701 -4.276 8.607) 9.636 2.615 ( 0.922 0.824 0.441) 1.312 2.714 ( -0.444 2.570 -0.392) 2.638 2.734 ( -0.600 5.221 2.516) 5.826 2.810 ( -0.792 7.282 1.318) 7.442 2.894 ( 6.133 -0.749 0.768) 6.226 2.993 ( 1.640 -0.140 -3.592) 3.951 3.103 ( 2.518 3.501 1.123) 4.456 3.216 ( -2.523 3.854 -2.701) 5.340 3.325 ( -0.855 -3.493 0.335) 3.612 3.514 ( -2.602 -4.728 5.370) 7.614 3.583 ( -12.999 -2.310 -4.477) 13.941 3.674 ( -7.247 0.837 -4.809) 8.738 3.713 ( 0.747 5.283 2.971) 6.106 3.945 ( -3.402 4.400 1.180) 5.686 4.059 ( -0.903 -6.272 -5.668) 8.502 4.148 ( 1.464 -1.306 -2.976) 3.565 4.369 ( 2.589 -1.505 -0.785) 3.095 4.403 ( -7.331 -0.987 -0.870) 7.448 4.469 ( 1.307 -1.795 0.529) 2.282 4.505 ( -6.595 -2.016 0.469) 6.913 4.592 ( 1.424 -0.349 0.711) 1.630 4.669 ( -1.213 5.358 2.321) 5.964 4.755 ( -1.587 0.465 3.456) 3.831 4.796 ( -0.992 1.635 0.197) 1.922 4.864 ( -4.004 -8.882 3.514) 10.358 4.891 ( -0.384 2.026 -1.927) 2.823 5.023 ( -5.217 -1.780 1.289) 5.661 5.147 ( -7.312 -4.409 -1.665) 8.699 5.225 ( 1.593 0.592 -1.780) 2.461 5.354 ( -0.596 0.330 3.849) 3.908 5.495 ( 1.437 4.035 -0.310) 4.295 5.581 ( -0.955 -3.584 -2.002) 4.215 5.785 ( -0.725 7.128 -1.726) 7.369 5.808 ( 0.672 -0.500 -0.300) 0.890 6.325 ( 16.150 3.861 -7.567) 18.248 8.055 ( 3.475 4.507 -0.163) 5.694 8.275 ( -5.218 -0.112 0.208) 5.223 8.377 ( -2.039 2.458 0.322) 3.210 8.602 ( 5.130 4.034 0.558) 6.550 8.706 ( -0.000 -3.258 -3.087) 4.488 8.907 ( 0.871 2.251 2.144) 3.228 8.989 ( -3.723 -6.952 4.317) 8.990 9.397 ( -0.875 -0.653 -2.627) 2.845 9.629 ( 2.377 -1.927 -0.348) 3.079 9.748 ( -8.269 -4.111 6.471) 11.276 9.891 ( -1.456 2.097 -2.970) 3.917 10.106 ( 0.974 -2.945 5.478) 6.295 10.325 ( -1.184 -14.746 -1.771) 14.899 10.534 ( -4.287 -2.338 1.123) 5.011 10.631 ( -10.504 -2.916 -0.334) 10.906 10.806 ( 2.055 -12.059 -3.098) 12.619 11.090 ( -3.977 12.984 -0.754) 13.600 11.301 ( 0.555 2.884 5.548) 6.277 11.685 ( 5.981 -0.372 -4.527) 7.510 11.778 ( 10.674 9.160 -3.832) 14.578 19.155 ( -1.177 0.850 2.267) 2.692 19.377 ( 0.750 -1.455 -0.517) 1.716 19.668 ( 4.833 -3.827 15.990) 17.138 19.977 ( 10.448 -1.656 -3.576) 11.166 20.282 ( -2.881 -1.179 0.871) 3.232 20.340 ( -5.534 1.639 1.439) 5.949 20.366 ( -14.436 -10.201 -1.531) 17.743 20.838 ( -11.027 -12.668 -0.947) 16.822 21.120 ( 2.804 6.039 4.757) 8.183 21.171 ( -3.913 2.308 -2.161) 5.031 21.450 ( -2.129 1.304 -1.165) 2.755 21.816 ( -1.692 -1.816 -1.013) 2.681 21.857 ( 1.524 1.744 0.149) 2.320 21.912 ( -1.248 -0.536 -2.142) 2.537 22.153 ( 1.400 7.534 0.845) 7.709 22.582 ( 19.752 22.956 -18.479) 35.477 ======================= Grid point 81 (39/92) ======================= q-point: ( 0.00 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( -1.017 19.574 7.963) 21.157 1.050 ( -1.181 19.443 10.697) 22.223 1.412 ( -0.485 5.060 -3.473) 6.156 1.641 ( 5.399 1.099 4.075) 6.853 1.846 ( 0.306 6.111 4.174) 7.407 1.893 ( 0.362 7.116 2.612) 7.589 2.010 ( 2.271 2.061 -2.204) 3.776 2.088 ( -0.488 4.302 1.643) 4.631 2.194 ( 0.117 1.387 -2.086) 2.508 2.244 ( -0.392 11.749 -1.678) 11.874 2.399 ( -1.769 3.864 7.801) 8.883 2.453 ( 0.148 0.994 5.170) 5.266 2.566 ( -0.294 -3.828 0.418) 3.862 2.666 ( -5.997 4.059 4.104) 8.324 2.731 ( -0.357 -0.300 3.064) 3.099 2.807 ( -0.372 -1.304 -3.492) 3.747 2.850 ( 0.707 1.757 1.997) 2.752 2.955 ( 3.160 -0.322 -2.426) 3.997 3.054 ( -3.777 -4.315 -3.426) 6.680 3.150 ( -1.130 13.424 -0.033) 13.472 3.318 ( -6.725 8.498 -1.533) 10.945 3.375 ( 11.007 5.345 -2.067) 12.409 3.472 ( -4.117 3.270 -2.306) 5.741 3.512 ( -0.397 11.358 0.144) 11.365 3.677 ( 2.900 4.658 -2.576) 6.062 3.892 ( 2.738 2.600 3.047) 4.852 3.967 ( 0.760 -1.161 -1.907) 2.358 4.025 ( -1.246 2.739 5.564) 6.326 4.077 ( 0.358 -5.199 1.395) 5.394 4.274 ( 0.498 -3.877 -3.033) 4.948 4.389 ( -0.865 0.239 -0.625) 1.093 4.413 ( 2.049 -2.084 -0.063) 2.923 4.472 ( -1.879 2.599 2.908) 4.329 4.562 ( -1.708 -4.459 0.990) 4.877 4.668 ( -3.474 -2.928 -4.955) 6.722 4.700 ( -2.218 0.185 1.638) 2.764 4.771 ( -3.084 0.714 3.312) 4.582 4.825 ( 2.744 0.362 -0.379) 2.794 4.876 ( 2.578 -2.351 0.685) 3.555 4.917 ( 0.928 4.368 -0.069) 4.466 5.110 ( 0.276 4.095 -0.991) 4.222 5.242 ( 2.486 -2.002 0.979) 3.339 5.367 ( 0.960 -3.428 -0.997) 3.697 5.524 ( -1.192 -0.865 2.143) 2.601 5.563 ( 0.155 -3.106 1.226) 3.343 5.837 ( 0.757 4.979 -1.247) 5.189 5.896 ( 0.350 5.309 -1.061) 5.425 6.234 ( 0.135 -14.882 -10.105) 17.989 8.194 ( -0.136 3.149 1.919) 3.690 8.240 ( 0.130 1.963 0.427) 2.013 8.390 ( 0.391 2.028 0.177) 2.073 8.545 ( -2.566 -4.239 -1.753) 5.256 8.694 ( 0.301 -0.798 0.558) 1.020 8.820 ( -0.088 -2.239 -0.101) 2.243 9.004 ( 0.732 -1.758 10.214) 10.390 9.546 ( -2.165 3.193 -0.326) 3.871 9.553 ( 1.492 6.500 -3.972) 7.763 9.765 ( 3.838 0.286 -1.638) 4.183 9.903 ( -5.923 -10.846 -3.173) 12.759 9.933 ( 0.649 2.484 -4.123) 4.857 10.159 ( 2.759 -2.649 7.284) 8.227 10.444 ( -2.362 -2.878 -1.320) 3.950 10.467 ( 3.225 -5.315 0.394) 6.229 10.542 ( -2.377 -12.133 -0.000) 12.363 11.313 ( 0.236 11.330 1.098) 11.386 11.410 ( -0.406 1.551 4.887) 5.143 11.631 ( 0.074 -3.945 -2.677) 4.769 11.870 ( 0.312 -1.985 -9.451) 9.662 19.185 ( -1.021 1.796 2.939) 3.592 19.334 ( -1.300 -2.988 2.245) 3.957 19.761 ( -3.252 2.039 7.752) 8.650 20.060 ( 4.438 -3.690 -1.023) 5.861 20.202 ( 4.654 0.556 1.080) 4.810 20.260 ( -4.617 -0.335 -0.076) 4.630 20.281 ( 1.281 0.098 0.432) 1.355 20.471 ( -1.276 -7.867 -3.093) 8.548 21.205 ( -0.814 3.706 2.078) 4.326 21.305 ( 1.113 1.752 6.580) 6.899 21.476 ( 0.024 4.054 -3.369) 5.271 21.726 ( -0.220 -4.043 -2.921) 4.992 21.886 ( -0.228 1.552 -0.736) 1.733 21.899 ( -0.034 0.888 -0.662) 1.108 22.365 ( -0.320 11.821 1.066) 11.874 22.810 ( 2.242 1.639 -14.454) 14.719 ======================= Grid point 82 (40/92) ======================= q-point: ( 0.11 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( 3.651 16.980 7.905) 19.083 1.195 ( 3.320 12.960 11.568) 17.686 1.471 ( 7.542 7.719 -2.798) 11.149 1.738 ( 3.881 3.660 -2.675) 5.968 1.833 ( -3.058 -2.014 -1.163) 3.842 1.913 ( 0.961 -6.188 -1.940) 6.555 2.014 ( 0.665 5.650 -1.572) 5.902 2.113 ( -1.836 5.118 2.497) 5.983 2.217 ( 4.790 10.744 4.434) 12.571 2.313 ( 4.064 8.969 1.398) 9.946 2.450 ( -0.507 2.565 7.353) 7.804 2.530 ( -2.416 2.294 6.156) 7.000 2.570 ( -0.583 -0.415 -0.041) 0.716 2.588 ( -2.713 4.065 5.214) 7.146 2.766 ( 2.067 0.747 1.741) 2.804 2.777 ( 0.641 -3.341 -4.176) 5.387 2.859 ( -1.488 2.500 2.566) 3.879 2.881 ( -5.791 2.951 -0.089) 6.500 2.947 ( -3.339 -1.535 -4.410) 5.741 3.171 ( 1.364 10.516 2.116) 10.813 3.218 ( -3.580 3.817 -8.291) 9.805 3.345 ( 3.581 2.134 1.492) 4.428 3.472 ( -2.764 16.157 -3.667) 16.796 3.589 ( 6.792 6.994 -4.417) 10.703 3.729 ( 4.522 5.677 3.351) 7.994 3.916 ( -1.743 4.929 -2.573) 5.827 3.946 ( -2.595 -1.651 -0.676) 3.149 4.062 ( -2.654 -6.424 5.843) 9.080 4.137 ( 3.349 -0.832 2.194) 4.089 4.274 ( 0.542 -3.478 -3.131) 4.711 4.352 ( 4.036 -3.729 -0.411) 5.510 4.441 ( 0.869 -0.659 -2.894) 3.092 4.520 ( 3.174 0.670 3.231) 4.578 4.566 ( 3.140 -3.689 4.144) 6.375 4.638 ( -4.001 7.672 -0.071) 8.653 4.657 ( 2.281 -0.314 -2.731) 3.572 4.796 ( 2.775 -3.051 0.745) 4.191 4.888 ( 3.040 -1.006 2.675) 4.172 4.955 ( 6.707 -0.979 -1.636) 6.973 5.009 ( 6.285 -1.098 2.348) 6.799 5.123 ( 2.397 2.964 -2.685) 4.663 5.305 ( -0.158 0.942 -3.574) 3.700 5.376 ( 3.404 -1.307 1.571) 3.970 5.480 ( 1.647 -3.399 -1.950) 4.250 5.596 ( -4.946 -5.470 9.383) 11.934 5.828 ( -0.351 6.574 -2.080) 6.905 5.888 ( -0.941 1.242 -2.378) 2.843 6.062 ( -5.041 -8.320 -9.362) 13.502 8.177 ( -2.243 2.618 1.738) 3.861 8.303 ( 4.314 1.203 0.861) 4.561 8.451 ( 4.801 2.948 1.114) 5.743 8.456 ( -3.628 3.060 -3.572) 5.940 8.707 ( -1.297 -1.330 1.486) 2.378 8.894 ( 4.333 0.448 0.856) 4.439 9.080 ( 0.563 -6.385 6.816) 9.356 9.385 ( -8.720 -1.510 -5.095) 10.212 9.537 ( -1.580 6.421 0.839) 6.666 9.821 ( 3.041 -5.610 -4.540) 7.831 9.848 ( 2.333 1.284 1.335) 2.979 9.906 ( 1.308 -2.016 -1.873) 3.047 10.274 ( 0.761 -7.812 3.748) 8.698 10.471 ( 4.482 -5.667 0.511) 7.243 10.530 ( 4.170 -7.443 -1.416) 8.648 10.572 ( 6.463 -2.618 0.563) 6.996 11.340 ( 0.697 10.161 2.595) 10.510 11.423 ( -2.931 0.848 3.961) 5.000 11.572 ( -3.348 -3.154 -2.290) 5.138 11.749 ( -2.705 -0.920 -7.592) 8.112 19.197 ( -0.802 1.777 3.136) 3.693 19.327 ( -1.122 -2.138 1.293) 2.739 19.705 ( -6.971 3.885 3.431) 8.687 19.994 ( -9.804 -4.662 -0.206) 10.858 20.236 ( 4.450 -0.334 -0.426) 4.483 20.310 ( 2.569 -1.427 -0.015) 2.938 20.437 ( 13.784 -1.973 3.966) 14.478 20.567 ( 11.119 -5.762 -4.251) 13.225 21.209 ( -1.809 4.459 3.544) 5.977 21.363 ( -3.632 -1.024 4.506) 5.877 21.447 ( 1.832 4.673 -2.818) 5.756 21.703 ( 1.975 -4.846 -3.789) 6.460 21.882 ( 0.458 1.997 -0.186) 2.057 21.895 ( 0.466 0.603 -0.473) 0.897 22.343 ( -3.359 11.291 1.420) 11.866 22.638 ( -5.426 5.295 -10.996) 13.356 ======================= Grid point 83 (41/92) ======================= q-point: ( 0.22 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( 2.667 11.475 6.098) 13.266 1.376 ( 5.814 8.166 9.122) 13.553 1.563 ( 5.778 8.918 -4.964) 11.729 1.728 ( -2.053 -1.585 -4.259) 4.986 1.813 ( 2.300 1.874 0.768) 3.065 1.916 ( 1.730 -2.608 -3.395) 4.617 1.976 ( -5.258 2.051 -1.525) 5.846 2.061 ( -2.151 1.041 -1.091) 2.627 2.273 ( -4.914 3.513 -1.571) 6.242 2.333 ( 4.166 10.121 -0.371) 10.951 2.419 ( -8.841 2.679 -2.754) 9.640 2.481 ( -4.095 2.062 2.750) 5.347 2.586 ( 0.093 3.517 4.144) 5.436 2.668 ( 0.217 8.473 9.131) 12.458 2.698 ( -5.257 1.456 1.416) 5.636 2.808 ( -2.697 6.681 1.410) 7.342 2.859 ( 0.282 -1.944 2.630) 3.282 2.897 ( 4.693 1.227 0.329) 4.862 2.943 ( 6.277 0.425 -0.431) 6.306 3.138 ( 2.641 3.591 -4.748) 6.513 3.263 ( 4.246 10.551 5.315) 12.554 3.380 ( 1.699 15.587 -7.453) 17.361 3.473 ( 2.695 1.927 3.736) 4.994 3.606 ( 1.828 4.180 -2.702) 5.302 3.782 ( -5.674 2.895 0.306) 6.377 3.847 ( -0.766 1.974 -0.858) 2.285 3.949 ( 4.331 -3.744 0.087) 5.725 4.018 ( -3.384 -0.393 1.101) 3.580 4.133 ( 0.638 1.189 -5.306) 5.475 4.323 ( 2.341 -0.415 2.241) 3.267 4.437 ( 1.831 1.192 -2.826) 3.572 4.487 ( 6.021 -4.096 4.244) 8.429 4.580 ( 0.197 0.475 0.866) 1.007 4.605 ( 3.854 1.484 -3.038) 5.127 4.662 ( 0.698 -1.985 -0.923) 2.298 4.736 ( 8.443 -2.692 5.268) 10.310 4.873 ( 5.701 -1.374 -0.762) 5.914 4.986 ( 3.072 2.654 4.344) 5.945 5.059 ( 4.361 -2.458 -0.780) 5.066 5.123 ( 1.170 -1.989 -4.155) 4.753 5.160 ( 6.004 -2.014 3.204) 7.097 5.241 ( 0.598 3.137 -2.557) 4.092 5.445 ( -0.785 -0.310 3.260) 3.368 5.514 ( 1.745 -3.089 -3.891) 5.265 5.633 ( 1.232 -3.542 7.265) 8.176 5.719 ( -5.938 -7.857 -7.656) 12.475 5.796 ( -0.886 5.973 -2.095) 6.391 6.003 ( 1.826 3.014 -2.399) 4.263 8.146 ( -2.528 3.678 0.089) 4.464 8.327 ( -2.989 4.616 0.085) 5.500 8.442 ( 4.571 2.820 1.580) 5.598 8.558 ( 4.678 3.307 0.892) 5.798 8.644 ( -6.148 4.587 -1.961) 7.917 8.836 ( -10.990 -4.108 4.850) 12.695 9.210 ( 4.785 -2.020 -4.156) 6.652 9.304 ( 10.259 -4.762 -2.392) 11.560 9.522 ( -1.231 7.211 2.574) 7.755 9.872 ( 1.898 -1.774 -0.670) 2.683 9.878 ( 4.819 -9.334 -2.320) 10.758 9.970 ( 3.851 -1.632 3.085) 5.197 10.278 ( -1.087 -11.912 0.186) 11.963 10.509 ( 0.940 -11.870 -1.262) 11.974 10.650 ( 5.276 -0.642 -0.290) 5.323 10.716 ( 7.323 -1.400 1.141) 7.542 11.377 ( -2.852 5.300 4.451) 7.485 11.398 ( -0.200 3.757 2.180) 4.348 11.482 ( -3.411 -0.756 -1.663) 3.869 11.660 ( -0.162 -0.556 -4.777) 4.812 19.215 ( -0.587 1.497 2.999) 3.403 19.322 ( -0.463 -1.815 0.571) 1.959 19.604 ( -5.620 3.235 0.650) 6.517 19.797 ( -9.410 -2.923 -1.478) 9.964 20.348 ( 6.605 -1.212 -0.085) 6.715 20.394 ( 6.548 -1.665 0.312) 6.763 20.689 ( 8.098 -1.085 -0.087) 8.171 20.744 ( 11.831 -3.472 -0.391) 12.336 21.205 ( -2.917 3.994 3.794) 6.234 21.266 ( -6.355 1.762 0.006) 6.595 21.462 ( 1.347 1.785 -2.585) 3.418 21.745 ( 4.110 -5.846 0.176) 7.149 21.892 ( 1.176 2.333 -0.472) 2.655 21.923 ( 2.306 0.489 0.384) 2.389 22.273 ( -5.501 10.014 1.246) 11.493 22.441 ( -6.344 5.534 -6.161) 10.432 ======================= Grid point 84 (42/92) ======================= q-point: ( 0.33 0.29 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( 1.883 7.232 1.830) 7.694 1.497 ( -6.094 15.609 -9.423) 19.225 1.521 ( -0.240 2.292 3.163) 3.914 1.693 ( -1.854 1.458 0.549) 2.422 1.818 ( -0.824 2.596 2.697) 3.833 1.848 ( 6.310 2.857 -6.202) 9.297 1.957 ( 0.246 -1.001 -1.970) 2.224 2.045 ( -3.364 0.053 5.022) 6.045 2.190 ( -3.515 -1.374 -0.897) 3.879 2.262 ( 0.350 5.555 -2.877) 6.266 2.372 ( -0.505 0.762 1.339) 1.621 2.514 ( 5.391 13.129 0.135) 14.194 2.547 ( -6.082 0.227 -0.746) 6.131 2.592 ( -4.149 0.676 3.625) 5.551 2.738 ( -3.301 7.877 0.865) 8.584 2.774 ( -1.222 2.083 2.266) 3.311 2.911 ( -1.935 0.009 4.382) 4.790 2.950 ( 3.892 7.612 2.052) 8.792 3.057 ( 4.819 2.314 -1.463) 5.543 3.162 ( 1.935 6.050 -0.386) 6.364 3.289 ( -3.899 9.309 1.150) 10.158 3.443 ( 8.557 13.165 -7.487) 17.395 3.485 ( 0.407 -0.916 -1.046) 1.449 3.655 ( -6.142 0.684 6.014) 8.624 3.689 ( -3.836 1.179 2.188) 4.571 3.776 ( -0.286 2.714 3.206) 4.210 4.018 ( 2.124 -2.618 -2.261) 4.059 4.040 ( 2.126 3.861 -3.117) 5.398 4.116 ( 4.179 -1.353 -0.976) 4.499 4.386 ( 4.555 -0.534 -0.931) 4.679 4.450 ( 0.622 5.200 -0.305) 5.246 4.569 ( -0.361 1.142 2.709) 2.962 4.609 ( 3.418 -2.058 -2.736) 4.838 4.683 ( 1.770 -4.159 1.443) 4.745 4.717 ( 7.870 -3.200 0.559) 8.515 4.883 ( 2.864 -1.914 1.206) 3.650 4.971 ( 4.103 0.041 -0.847) 4.189 5.080 ( 2.473 3.401 4.169) 5.921 5.094 ( 1.158 -0.383 1.164) 1.686 5.126 ( 3.447 -8.971 -2.760) 9.999 5.235 ( 3.212 2.795 -2.812) 5.102 5.295 ( 2.428 0.733 1.325) 2.862 5.392 ( -5.261 -1.959 3.635) 6.688 5.522 ( -2.241 -4.042 -2.673) 5.339 5.579 ( 3.536 -0.817 -3.608) 5.117 5.747 ( 3.493 -1.276 -1.871) 4.163 5.802 ( 1.931 2.848 2.143) 4.053 6.002 ( -0.058 2.390 -1.728) 2.950 8.089 ( -2.530 4.679 -0.869) 5.390 8.292 ( -2.905 4.259 3.437) 6.196 8.448 ( -8.305 6.326 -2.779) 10.803 8.552 ( 3.898 2.996 1.079) 5.033 8.643 ( 2.163 0.780 1.243) 2.614 8.683 ( -8.734 -1.839 3.832) 9.713 9.280 ( 8.200 -1.381 -5.454) 9.945 9.448 ( 5.832 2.310 -5.799) 8.543 9.599 ( 4.227 5.852 7.475) 10.392 9.870 ( 0.593 -6.424 -1.487) 6.620 9.997 ( 7.092 -10.692 1.074) 12.875 10.083 ( 5.404 -1.590 2.425) 6.133 10.256 ( -0.514 -13.751 -1.378) 13.829 10.488 ( -0.542 -10.576 -3.185) 11.059 10.655 ( -3.842 -2.626 -1.346) 4.844 10.823 ( 1.972 -3.998 1.554) 4.721 11.353 ( -1.742 3.485 2.693) 4.736 11.410 ( -1.946 0.626 2.822) 3.485 11.477 ( 3.515 6.209 -0.542) 7.156 11.635 ( 1.301 0.461 -3.339) 3.613 19.232 ( -0.686 1.113 2.638) 2.945 19.320 ( -0.091 -1.765 0.172) 1.776 19.521 ( -3.113 2.270 -0.669) 3.911 19.639 ( -5.850 -1.344 -1.583) 6.207 20.464 ( 6.323 -1.173 -0.528) 6.452 20.541 ( 7.339 -2.717 1.767) 8.023 20.788 ( 5.220 2.350 -2.730) 6.343 20.893 ( 2.897 -1.459 0.409) 3.270 21.095 ( -7.514 2.269 -0.723) 7.882 21.263 ( 0.633 6.988 4.367) 8.265 21.459 ( 1.594 -4.299 -1.799) 4.925 21.825 ( 3.101 -5.555 1.114) 6.459 21.922 ( 2.400 3.761 -0.132) 4.464 21.973 ( 2.538 1.259 0.111) 2.835 22.174 ( -5.975 8.307 0.895) 10.272 22.289 ( -4.810 3.203 -3.568) 6.792 ======================= Grid point 85 (43/92) ======================= q-point: ( 0.44 0.29 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( 1.240 13.248 -3.102) 13.662 1.401 ( 1.514 12.095 4.537) 13.006 1.521 ( 0.441 -1.036 1.698) 2.037 1.617 ( -3.581 3.112 1.823) 5.082 1.864 ( 0.480 -0.015 -6.519) 6.537 1.883 ( 0.935 3.697 -4.033) 5.551 1.973 ( -3.801 -0.954 2.129) 4.460 1.975 ( -0.704 2.858 -2.192) 3.669 2.141 ( -0.656 -0.889 0.323) 1.151 2.268 ( -2.201 0.322 -0.545) 2.290 2.421 ( 5.748 3.171 -1.153) 6.665 2.454 ( -2.181 -2.551 -0.797) 3.449 2.538 ( -0.707 3.721 0.331) 3.802 2.584 ( 0.442 13.880 -1.892) 14.015 2.724 ( -1.358 7.996 6.526) 10.410 2.786 ( 0.052 2.835 1.303) 3.121 2.865 ( -2.671 2.565 -1.063) 3.853 3.056 ( 0.947 7.044 3.303) 7.837 3.083 ( -1.545 8.742 4.604) 10.000 3.193 ( 1.697 3.135 0.449) 3.592 3.247 ( 2.808 9.569 -2.134) 10.198 3.431 ( -3.115 -3.263 -2.074) 4.965 3.538 ( 1.561 7.165 -0.904) 7.389 3.569 ( -2.871 2.186 2.796) 4.565 3.634 ( -2.341 3.080 3.170) 5.001 3.853 ( -0.609 1.003 2.141) 2.442 4.000 ( 1.659 0.722 -2.778) 3.315 4.059 ( 2.659 -0.415 0.970) 2.860 4.215 ( 2.390 -2.614 1.466) 3.834 4.441 ( 2.656 0.063 -3.451) 4.356 4.442 ( -0.280 5.997 -1.272) 6.137 4.559 ( -0.575 0.519 -2.084) 2.223 4.638 ( 1.816 -1.324 -0.905) 2.423 4.748 ( 1.538 -3.166 4.697) 5.870 4.831 ( 2.744 -3.537 0.401) 4.494 4.909 ( -0.578 -0.203 1.889) 1.986 5.005 ( 2.761 -0.252 -2.969) 4.062 5.115 ( -1.075 -1.207 -0.413) 1.668 5.144 ( -1.981 -0.938 3.922) 4.493 5.161 ( 1.999 -4.413 -0.784) 4.907 5.271 ( 5.512 0.254 -1.149) 5.636 5.291 ( -1.441 2.034 -1.381) 2.849 5.407 ( 2.517 1.652 -0.807) 3.117 5.479 ( -0.972 -1.734 1.737) 2.640 5.571 ( -2.192 -2.481 -1.760) 3.750 5.765 ( 0.741 -3.185 -2.654) 4.211 5.895 ( 5.841 3.342 0.668) 6.763 5.967 ( -2.521 1.625 -0.302) 3.015 8.058 ( -0.313 4.246 0.638) 4.305 8.231 ( -4.564 3.320 -0.984) 5.729 8.364 ( -0.077 5.712 2.306) 6.161 8.559 ( -4.705 -3.814 0.934) 6.128 8.626 ( 1.539 7.972 1.811) 8.319 8.699 ( 0.141 0.139 3.303) 3.309 9.357 ( 5.759 3.906 -6.719) 9.673 9.469 ( 1.929 -1.725 -4.352) 5.064 9.710 ( -0.532 7.460 6.970) 10.223 9.883 ( 1.778 -7.949 0.308) 8.152 10.099 ( 1.982 -8.191 -0.877) 8.473 10.179 ( -0.562 -3.366 -1.820) 3.868 10.279 ( 8.146 -15.869 -0.226) 17.839 10.451 ( -2.160 -2.238 -1.063) 3.287 10.546 ( -3.030 -11.179 0.489) 11.593 10.816 ( -2.599 -6.279 -0.704) 6.832 11.360 ( -0.539 3.873 1.868) 4.334 11.409 ( -1.563 2.895 2.479) 4.119 11.531 ( 2.291 4.581 -0.749) 5.176 11.633 ( 1.538 2.068 -2.505) 3.594 19.237 ( -1.345 0.896 2.041) 2.604 19.321 ( -0.058 -1.947 0.322) 1.975 19.483 ( 0.042 1.750 -1.175) 2.108 19.553 ( -1.950 -0.426 -1.133) 2.295 20.559 ( 3.609 -1.410 0.110) 3.877 20.658 ( 2.590 -4.020 0.262) 4.789 20.852 ( 4.529 4.061 -0.988) 6.163 20.896 ( -1.093 0.396 0.048) 1.164 20.978 ( -4.537 4.010 1.252) 6.183 21.266 ( -1.687 9.761 -2.897) 10.320 21.516 ( 2.422 -9.780 4.689) 11.113 21.861 ( 0.367 -6.158 -0.908) 6.235 21.976 ( 2.867 5.693 0.268) 6.380 22.008 ( 1.005 5.011 -0.075) 5.111 22.082 ( -4.551 6.482 1.096) 7.996 22.203 ( -0.590 -0.812 -2.689) 2.871 ======================= Grid point 86 (44/92) ======================= q-point: (-0.44 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( 0.657 5.952 5.071) 7.846 1.465 ( -5.388 8.282 -1.821) 10.047 1.607 ( 5.314 5.613 4.789) 9.093 1.619 ( 4.314 2.069 2.247) 5.286 1.750 ( -2.115 -1.096 -4.600) 5.180 1.820 ( -5.158 3.624 -6.171) 8.821 1.869 ( 1.952 1.217 -3.421) 4.123 1.973 ( 4.485 -0.666 -1.840) 4.894 2.160 ( 0.782 0.976 -0.821) 1.496 2.229 ( 1.493 -1.793 0.871) 2.491 2.443 ( -0.416 4.633 -2.970) 5.519 2.468 ( -1.864 5.431 -0.973) 5.823 2.518 ( 1.483 6.569 -0.882) 6.792 2.606 ( 0.564 11.260 -0.515) 11.286 2.746 ( -3.605 6.688 6.279) 9.856 2.765 ( -2.876 1.689 2.108) 3.946 2.810 ( -0.966 4.145 0.465) 4.281 3.092 ( -0.003 8.370 0.860) 8.415 3.103 ( -0.933 10.781 4.213) 11.613 3.229 ( 0.188 -0.912 1.465) 1.735 3.286 ( -1.204 13.591 -2.071) 13.800 3.412 ( -1.237 -2.175 0.769) 2.618 3.496 ( 7.398 0.189 0.530) 7.419 3.595 ( 0.399 -1.844 2.769) 3.351 3.685 ( -0.837 5.606 3.280) 6.549 3.826 ( -1.791 1.500 0.469) 2.382 4.003 ( 1.236 -1.697 -2.766) 3.473 4.115 ( 0.253 -4.233 -2.010) 4.693 4.218 ( -1.916 3.544 5.186) 6.567 4.392 ( -2.940 3.200 -2.650) 5.090 4.439 ( 1.054 2.639 -3.864) 4.796 4.533 ( 0.018 -2.418 -2.424) 3.424 4.667 ( 0.389 -1.227 2.994) 3.259 4.761 ( -4.879 0.643 0.239) 4.927 4.838 ( -1.926 -2.265 3.129) 4.316 4.916 ( -1.706 -3.159 1.101) 3.756 4.985 ( -3.088 1.241 -2.812) 4.357 5.050 ( -1.689 0.197 -1.359) 2.176 5.105 ( -2.474 -0.997 1.043) 2.864 5.231 ( 2.457 -3.264 1.507) 4.354 5.247 ( -0.524 2.869 -1.862) 3.460 5.361 ( -4.384 1.460 0.324) 4.632 5.416 ( 7.921 -1.445 0.120) 8.053 5.472 ( -7.591 -3.600 2.168) 8.676 5.521 ( 4.251 -1.756 -3.468) 5.761 5.759 ( 1.224 -4.221 -3.257) 5.471 5.882 ( -4.570 3.924 0.613) 6.054 6.007 ( 3.600 1.897 0.371) 4.086 8.091 ( 1.912 3.592 1.969) 4.521 8.172 ( 0.578 5.474 -2.175) 5.918 8.428 ( 2.579 4.100 3.483) 5.966 8.524 ( 1.551 -3.129 -0.142) 3.495 8.645 ( -2.121 6.809 2.555) 7.576 8.726 ( -0.793 1.303 3.730) 4.030 9.355 ( 0.635 4.809 -7.246) 8.720 9.413 ( -2.305 -5.880 -4.288) 7.633 9.745 ( -3.053 7.192 7.223) 10.640 9.928 ( 1.044 -6.662 2.398) 7.157 10.054 ( -5.794 -9.803 -4.090) 12.100 10.098 ( -0.681 -2.582 -2.951) 3.980 10.301 ( -6.807 -12.142 0.427) 13.926 10.477 ( 5.702 -2.763 -0.623) 6.367 10.634 ( 6.782 -13.147 4.108) 15.353 10.745 ( -1.300 -5.816 -4.206) 7.295 11.343 ( -3.180 3.590 1.297) 4.968 11.400 ( -1.722 3.329 2.362) 4.430 11.531 ( -1.224 4.794 -1.019) 5.052 11.649 ( 2.419 2.310 -1.720) 3.761 19.222 ( -1.959 1.079 1.416) 2.647 19.323 ( -0.410 -2.345 0.679) 2.475 19.494 ( 1.928 1.602 -1.022) 2.707 19.548 ( 2.808 -0.325 -1.190) 3.067 20.579 ( -2.293 -1.509 1.184) 2.990 20.617 ( -5.098 -1.928 -1.326) 5.609 20.881 ( -0.605 1.263 -0.524) 1.496 20.928 ( 0.181 -0.066 -0.136) 0.236 20.977 ( 3.923 5.658 2.976) 7.501 21.182 ( -1.933 7.891 -4.159) 9.127 21.594 ( -0.513 -7.946 5.981) 9.958 21.825 ( -1.835 -6.400 -2.498) 7.111 21.973 ( -2.436 5.313 0.052) 5.845 22.003 ( -2.386 4.922 -0.160) 5.473 22.083 ( 3.867 6.243 0.790) 7.386 22.230 ( 5.593 -0.112 -1.689) 5.844 ======================= Grid point 87 (45/92) ======================= q-point: (-0.33 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( -9.246 10.101 -6.332) 15.087 1.350 ( -9.129 6.806 5.563) 12.673 1.588 ( -1.617 3.365 -5.466) 6.619 1.683 ( 0.979 0.106 -3.072) 3.226 1.714 ( 1.244 2.570 -3.202) 4.290 1.838 ( 7.027 4.173 0.587) 8.194 1.948 ( 1.368 -1.050 -0.359) 1.762 2.131 ( 9.995 -3.463 3.859) 11.260 2.237 ( 6.276 2.147 0.128) 6.635 2.317 ( 0.776 14.464 -2.902) 14.772 2.340 ( 4.346 1.900 -0.676) 4.791 2.438 ( -3.455 8.670 2.288) 9.609 2.501 ( -3.651 5.595 -0.414) 6.693 2.574 ( -1.980 5.218 1.356) 5.743 2.703 ( -1.618 3.272 -0.191) 3.655 2.760 ( 0.733 1.405 0.987) 1.867 2.869 ( 0.839 3.420 3.020) 4.639 3.003 ( -8.135 10.362 2.109) 13.342 3.117 ( -6.305 2.259 1.633) 6.893 3.190 ( 3.589 5.430 -0.389) 6.521 3.269 ( -0.589 10.967 -1.004) 11.028 3.405 ( -2.381 -3.772 -2.940) 5.342 3.591 ( -9.703 3.679 2.966) 10.793 3.611 ( 3.347 1.680 2.473) 4.487 3.735 ( 8.734 -2.321 3.327) 9.630 3.846 ( 1.433 4.843 1.706) 5.331 3.990 ( 0.569 -0.973 -3.878) 4.038 4.060 ( -1.198 -2.016 0.565) 2.412 4.239 ( -1.850 0.149 -1.705) 2.520 4.291 ( -5.105 1.670 -0.457) 5.391 4.430 ( 0.520 2.117 -0.980) 2.390 4.506 ( -0.767 -2.653 0.147) 2.765 4.640 ( -5.209 -0.936 -1.602) 5.530 4.708 ( -1.109 -2.983 3.241) 4.542 4.796 ( -7.946 -1.213 -1.098) 8.113 4.814 ( -4.235 1.201 3.655) 5.722 4.911 ( -3.455 2.368 -2.086) 4.679 4.997 ( -4.193 -1.315 -0.449) 4.418 5.078 ( -2.056 2.090 1.210) 3.172 5.224 ( -0.924 1.902 -1.658) 2.687 5.250 ( 2.917 4.024 -3.244) 5.935 5.287 ( -5.544 -0.751 1.633) 5.828 5.378 ( -4.999 -6.729 3.233) 8.985 5.482 ( -0.384 -1.518 -1.395) 2.097 5.649 ( 9.784 -6.576 -0.840) 11.818 5.686 ( -4.207 -4.512 -1.285) 6.301 5.847 ( 0.269 5.364 -0.342) 5.382 6.045 ( 0.850 2.098 -0.335) 2.288 8.115 ( 0.361 4.897 -0.620) 4.950 8.251 ( 7.212 5.104 1.895) 9.036 8.454 ( -0.610 1.034 -0.871) 1.483 8.599 ( -2.699 4.968 1.220) 5.784 8.669 ( 8.117 2.539 4.186) 9.479 8.733 ( -2.277 0.432 3.569) 4.255 9.224 ( -4.837 -0.544 -7.638) 9.057 9.347 ( -2.291 -5.900 -3.048) 7.025 9.715 ( -7.395 -0.712 5.602) 9.304 9.895 ( -4.630 -3.264 -3.884) 6.869 9.961 ( -0.619 2.850 3.754) 4.754 10.081 ( -3.074 -7.830 2.309) 8.723 10.193 ( -1.527 -12.059 -3.533) 12.659 10.488 ( -1.391 -5.818 -3.623) 6.994 10.708 ( 0.336 -2.616 -2.261) 3.474 10.779 ( 2.447 -10.058 2.929) 10.758 11.292 ( -2.704 3.298 1.150) 4.417 11.396 ( -1.372 0.722 2.327) 2.796 11.492 ( -0.831 5.858 -0.873) 5.981 11.687 ( 3.449 2.391 -1.131) 4.346 19.198 ( -1.877 1.364 1.299) 2.658 19.319 ( -0.839 -2.732 0.983) 3.023 19.529 ( 2.810 2.284 -0.742) 3.696 19.629 ( 7.159 -1.316 -1.793) 7.496 20.482 ( -7.105 -0.712 -0.769) 7.181 20.522 ( -5.572 -1.630 1.989) 6.137 20.787 ( -8.525 2.351 -2.740) 9.258 20.904 ( -2.133 -0.854 0.594) 2.374 21.078 ( 4.732 2.810 -1.032) 5.599 21.181 ( 2.792 4.803 1.688) 5.807 21.591 ( -4.347 -4.613 2.388) 6.773 21.780 ( -0.834 -6.272 -0.426) 6.341 21.932 ( -1.744 2.593 0.062) 3.126 21.950 ( -2.743 3.006 -0.327) 4.083 22.175 ( 4.997 8.023 0.393) 9.460 22.362 ( 10.029 3.349 -1.350) 10.659 ======================= Grid point 88 (46/92) ======================= q-point: (-0.22 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( -6.493 15.478 -0.056) 16.785 1.193 ( -10.990 14.124 3.848) 18.305 1.519 ( -0.450 3.642 -3.252) 4.904 1.722 ( 4.159 -2.002 -3.146) 5.586 1.742 ( 2.253 2.115 0.786) 3.188 1.855 ( 0.426 1.146 -4.689) 4.845 1.966 ( -0.983 5.815 -0.844) 5.957 2.191 ( -3.681 14.958 -2.588) 15.620 2.228 ( -1.630 -2.583 -2.473) 3.930 2.279 ( -0.657 7.075 0.647) 7.135 2.427 ( -1.832 8.670 1.145) 8.935 2.447 ( 0.024 7.634 5.081) 9.170 2.522 ( 2.374 -1.118 2.162) 3.400 2.626 ( -1.307 3.662 1.369) 4.122 2.676 ( 7.643 2.561 -0.377) 8.070 2.793 ( -3.158 -0.531 -0.527) 3.245 2.840 ( 1.760 -1.437 0.361) 2.300 2.921 ( -4.859 7.971 3.184) 9.863 3.076 ( -1.316 3.771 4.246) 5.830 3.172 ( -0.989 12.136 -2.154) 12.365 3.273 ( -4.631 -9.620 -1.996) 10.861 3.345 ( 3.961 2.178 3.751) 5.874 3.471 ( -3.674 9.630 -0.404) 10.315 3.692 ( 1.908 1.536 0.760) 2.565 3.827 ( 1.141 3.750 -0.993) 4.044 3.880 ( -4.091 5.206 1.415) 6.771 3.968 ( -0.741 -1.642 -1.293) 2.217 4.053 ( -1.987 -1.569 1.442) 2.914 4.155 ( -2.872 -3.068 -2.279) 4.781 4.217 ( 1.759 -3.494 -2.263) 4.519 4.437 ( 0.114 -0.749 -0.529) 0.924 4.503 ( -1.153 -0.416 2.430) 2.722 4.555 ( -5.682 -2.667 -0.420) 6.291 4.569 ( -7.234 -2.184 -1.323) 7.671 4.730 ( -3.349 -2.886 3.219) 5.469 4.794 ( -3.217 3.360 1.077) 4.775 4.834 ( -0.927 4.716 0.075) 4.807 4.912 ( -5.483 1.488 2.144) 6.072 5.019 ( -3.804 1.023 -1.529) 4.225 5.153 ( -8.875 1.077 1.206) 9.021 5.223 ( 1.567 0.602 -2.083) 2.676 5.265 ( -1.721 0.688 -2.901) 3.443 5.324 ( -1.956 -1.831 -1.728) 3.189 5.459 ( -0.476 -1.902 4.493) 4.902 5.564 ( -3.032 -4.577 -2.268) 5.940 5.816 ( 3.154 -0.950 -2.362) 4.054 5.882 ( 4.376 1.129 0.035) 4.519 6.075 ( 5.353 -2.567 -0.733) 5.982 8.121 ( 1.119 5.696 -0.469) 5.824 8.361 ( -2.046 -1.475 0.517) 2.575 8.469 ( 5.138 8.989 1.085) 10.411 8.541 ( -2.866 2.243 1.838) 4.077 8.693 ( -3.131 -0.402 1.985) 3.729 8.871 ( 4.067 0.056 3.711) 5.506 9.062 ( -5.452 0.037 -6.394) 8.403 9.282 ( 1.969 -9.665 -2.859) 10.269 9.623 ( -5.108 -2.100 2.329) 5.994 9.818 ( -1.930 0.522 -1.334) 2.404 9.985 ( -2.413 1.615 3.929) 4.886 9.997 ( -3.862 -5.059 0.489) 6.383 10.182 ( 0.740 -6.198 -2.183) 6.612 10.424 ( -0.541 -10.898 -3.107) 11.346 10.671 ( -3.376 -2.173 0.207) 4.020 10.746 ( -7.781 -5.330 1.676) 9.580 11.291 ( 0.952 1.996 1.657) 2.763 11.364 ( -2.968 5.662 0.367) 6.403 11.530 ( 4.606 -0.371 0.151) 4.624 11.764 ( 6.258 2.426 -1.429) 6.862 19.182 ( -1.486 1.517 1.758) 2.757 19.315 ( -0.839 -3.035 1.798) 3.626 19.585 ( 3.719 3.414 0.046) 5.049 19.766 ( 9.768 -2.625 -2.555) 10.432 20.349 ( -6.240 -0.458 -0.324) 6.265 20.422 ( -7.427 -2.821 1.635) 8.112 20.567 ( -11.111 2.584 -2.452) 11.668 20.833 ( -7.141 -5.262 0.902) 8.916 21.142 ( 2.925 3.298 0.134) 4.410 21.240 ( 0.782 1.844 1.143) 2.307 21.522 ( -2.436 0.175 -0.818) 2.575 21.775 ( -0.674 -5.338 0.842) 5.446 21.902 ( -1.457 2.156 -0.336) 2.624 21.915 ( -0.745 1.289 0.402) 1.542 22.267 ( 4.374 9.845 0.334) 10.778 22.567 ( 14.075 4.407 -3.092) 15.069 ======================= Grid point 89 (47/92) ======================= q-point: (-0.11 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( -5.785 19.822 5.957) 21.491 1.062 ( -8.146 19.377 6.374) 21.965 1.491 ( -1.584 1.519 0.531) 2.258 1.634 ( -7.985 1.782 -3.604) 8.940 1.787 ( 4.561 1.131 -1.502) 4.933 1.897 ( -2.664 20.494 2.472) 20.814 1.934 ( 4.563 -5.842 0.504) 7.430 2.102 ( -3.485 10.016 3.121) 11.054 2.182 ( 3.149 -1.919 -6.290) 7.291 2.331 ( -2.714 4.533 0.909) 5.361 2.335 ( -2.943 13.108 4.545) 14.182 2.493 ( -3.783 0.696 1.066) 3.992 2.566 ( 0.803 -3.083 -0.305) 3.201 2.614 ( 3.171 6.378 6.996) 9.984 2.720 ( -1.658 -0.197 1.380) 2.166 2.818 ( 0.563 0.549 1.424) 1.627 2.860 ( -2.279 1.621 -0.379) 2.822 2.907 ( 4.532 0.569 -1.869) 4.935 3.132 ( 0.185 9.676 0.445) 9.688 3.163 ( 0.156 -1.599 -0.134) 1.612 3.195 ( 2.061 3.059 0.765) 3.767 3.418 ( 0.675 5.588 1.349) 5.788 3.515 ( 5.307 5.693 1.378) 7.904 3.593 ( -13.006 4.973 -2.515) 14.149 3.711 ( -2.833 0.360 -6.143) 6.774 3.844 ( 1.217 4.811 -0.792) 5.025 3.984 ( 0.536 2.772 0.553) 2.877 4.018 ( -2.193 0.853 1.001) 2.557 4.071 ( -3.216 -5.342 0.877) 6.297 4.305 ( 4.912 -5.552 -0.395) 7.423 4.371 ( -5.060 -1.665 -2.851) 6.042 4.452 ( -0.653 1.059 -0.019) 1.245 4.490 ( -4.230 0.878 1.682) 4.636 4.536 ( 1.005 -4.581 2.347) 5.244 4.710 ( -2.669 -2.135 3.779) 5.095 4.766 ( -0.056 1.695 1.344) 2.164 4.813 ( -3.498 0.060 -0.586) 3.547 4.853 ( -2.092 5.219 2.538) 6.169 4.902 ( -7.468 -6.007 -3.550) 10.220 4.980 ( -7.602 5.579 -0.431) 9.440 5.151 ( -4.052 3.902 -1.006) 5.715 5.228 ( 0.980 -1.253 -2.966) 3.365 5.332 ( 0.698 -3.212 3.945) 5.135 5.499 ( 0.186 -4.833 -0.688) 4.885 5.550 ( 2.683 1.163 0.062) 2.925 5.829 ( 1.706 2.786 -1.913) 3.785 5.904 ( -0.181 4.726 -0.789) 4.795 6.215 ( 9.324 -12.624 -5.176) 16.525 8.151 ( 1.988 5.128 0.668) 5.540 8.287 ( -4.246 1.105 0.247) 4.395 8.428 ( -3.863 2.868 -0.365) 4.825 8.606 ( -2.407 -5.426 1.291) 6.075 8.699 ( 2.520 4.030 0.543) 4.784 8.837 ( -4.074 -7.206 1.602) 8.431 8.943 ( -3.971 1.983 2.511) 5.099 9.428 ( 13.307 1.301 -3.735) 13.882 9.577 ( -1.796 0.450 0.314) 1.878 9.777 ( -2.012 2.837 -0.658) 3.540 9.923 ( 0.599 -7.874 -2.386) 8.249 10.015 ( -1.987 1.003 2.515) 3.358 10.132 ( -3.845 -3.880 0.284) 5.470 10.421 ( 1.464 -10.841 -0.253) 10.942 10.572 ( -8.774 -3.216 -0.258) 9.349 10.607 ( -5.326 -6.544 1.438) 8.559 11.312 ( -0.827 7.730 0.352) 7.782 11.356 ( 1.214 4.763 3.186) 5.858 11.612 ( 3.835 -3.634 -1.122) 5.401 11.870 ( 7.165 -0.249 -5.143) 8.823 19.178 ( -1.153 1.632 2.436) 3.151 19.326 ( -0.656 -3.398 2.874) 4.499 19.674 ( 3.744 3.478 4.178) 6.601 19.930 ( 10.302 -3.316 -2.913) 11.208 20.262 ( -3.678 -0.948 0.259) 3.807 20.269 ( -7.260 -1.909 -1.133) 7.592 20.380 ( -7.898 2.389 0.955) 8.306 20.649 ( -11.815 -8.157 -0.850) 14.382 21.190 ( 1.363 2.663 0.991) 3.152 21.247 ( -0.669 3.277 3.054) 4.530 21.496 ( 0.379 3.406 -1.966) 3.951 21.757 ( -1.172 -4.432 -0.679) 4.634 21.890 ( 0.139 1.909 -0.196) 1.925 21.909 ( -0.287 0.666 -0.279) 0.777 22.336 ( 2.513 11.303 0.576) 11.593 22.779 ( 13.287 1.659 -9.139) 16.212 ======================= Grid point 90 (48/92) ======================= q-point: ( 0.00 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( -0.694 15.558 5.294) 16.449 1.409 ( -1.058 17.941 4.979) 18.649 1.472 ( 1.752 -0.425 2.633) 3.191 1.637 ( 2.435 -0.154 2.896) 3.787 1.719 ( -1.499 -11.901 2.716) 12.298 1.757 ( -0.972 -10.429 -0.065) 10.475 2.082 ( 5.492 4.161 -7.144) 9.925 2.158 ( 2.757 -2.948 -5.069) 6.480 2.354 ( 0.775 6.974 -0.635) 7.046 2.395 ( -1.086 3.792 -2.116) 4.476 2.455 ( 2.100 -2.034 1.829) 3.449 2.507 ( -1.278 -1.660 3.476) 4.058 2.577 ( -2.355 9.843 9.886) 14.148 2.649 ( -3.900 -1.712 6.311) 7.614 2.797 ( -2.794 4.372 -0.085) 5.189 2.859 ( 1.354 0.629 -1.860) 2.385 2.920 ( 2.842 -1.182 -0.154) 3.082 2.952 ( -3.348 4.665 -1.857) 6.035 2.996 ( -2.570 8.137 -1.333) 8.637 3.276 ( -3.025 -5.435 -4.395) 7.616 3.403 ( -3.226 2.138 -1.075) 4.016 3.421 ( -6.866 -2.648 -1.645) 7.540 3.542 ( 9.631 7.430 6.412) 13.751 3.633 ( 8.673 -3.015 8.413) 12.454 3.770 ( 1.343 6.247 0.129) 6.391 3.853 ( 0.122 -3.286 -2.701) 4.256 3.994 ( -1.846 2.247 1.653) 3.345 4.025 ( -0.375 -1.004 2.764) 2.964 4.134 ( 0.794 7.468 -2.272) 7.846 4.230 ( -2.222 -1.756 -3.606) 4.585 4.381 ( 2.522 -0.352 -0.200) 2.555 4.402 ( -2.770 -0.580 -4.644) 5.439 4.475 ( 0.584 0.236 0.167) 0.651 4.538 ( 3.621 -3.801 -2.631) 5.872 4.596 ( -4.340 3.188 2.606) 5.982 4.691 ( 0.179 -3.091 2.193) 3.794 4.789 ( -2.809 1.119 4.566) 5.476 4.821 ( 0.681 -1.664 2.800) 3.328 4.921 ( -2.537 6.141 -1.604) 6.836 4.992 ( -1.548 0.201 -1.187) 1.961 5.211 ( 1.950 6.936 -1.900) 7.451 5.215 ( 2.520 0.298 1.522) 2.959 5.283 ( 1.493 -3.998 1.744) 4.610 5.399 ( 1.789 -9.362 2.880) 9.957 5.618 ( -2.066 8.389 -5.601) 10.296 5.859 ( 0.148 -12.790 -5.614) 13.969 5.948 ( -0.192 2.941 -0.203) 2.955 5.992 ( 1.066 -2.881 -2.619) 4.036 8.247 ( -1.202 2.617 1.771) 3.381 8.274 ( -0.136 0.536 1.594) 1.687 8.422 ( 0.309 1.520 -0.847) 1.768 8.467 ( -0.705 -3.209 -0.850) 3.393 8.668 ( -0.469 0.352 2.928) 2.986 8.735 ( 1.721 -5.758 5.244) 7.977 9.130 ( -0.825 12.976 -2.538) 13.248 9.414 ( 0.286 -15.708 -7.320) 17.332 9.662 ( 0.467 7.193 1.573) 7.378 9.786 ( -0.496 -4.757 2.927) 5.607 9.850 ( 0.113 8.811 -2.648) 9.201 9.976 ( 0.157 -1.917 -3.575) 4.059 10.153 ( 1.212 2.641 4.419) 5.288 10.267 ( 1.917 -10.087 2.335) 10.530 10.408 ( -1.306 -0.881 -1.264) 2.020 10.430 ( -1.872 -2.990 -0.257) 3.537 11.423 ( 0.020 1.905 3.212) 3.735 11.450 ( -0.008 0.114 1.214) 1.219 11.639 ( -0.280 6.379 -3.209) 7.146 11.782 ( -0.159 -6.943 -6.118) 9.255 19.225 ( -1.123 2.480 3.333) 4.303 19.277 ( -1.304 -2.983 3.490) 4.773 19.847 ( 0.643 6.156 1.277) 6.320 19.967 ( 2.668 -6.076 -1.026) 6.715 20.220 ( 2.755 1.248 0.785) 3.124 20.245 ( 0.051 -1.225 0.632) 1.379 20.299 ( -1.792 1.805 -0.713) 2.642 20.355 ( -1.951 -4.405 -1.587) 5.072 21.265 ( -0.324 2.743 3.015) 4.089 21.306 ( -0.122 -1.359 4.551) 4.751 21.559 ( 0.248 4.500 -3.249) 5.556 21.643 ( -0.058 -4.526 -3.007) 5.434 21.913 ( -0.126 0.968 -0.566) 1.129 21.916 ( -0.154 0.586 -0.545) 0.815 22.586 ( 0.144 10.949 -1.025) 10.998 22.755 ( 0.835 -6.560 -5.919) 8.875 ======================= Grid point 91 (49/92) ======================= q-point: ( 0.11 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 0.980 14.307 6.085) 15.578 1.456 ( -0.499 13.787 5.845) 14.983 1.576 ( 4.993 -0.805 1.808) 5.371 1.699 ( -2.919 -8.534 2.161) 9.275 1.721 ( 2.495 -3.717 0.361) 4.491 1.777 ( 4.843 -5.478 -1.164) 7.404 2.086 ( 3.145 3.370 -7.551) 8.847 2.136 ( 0.738 -1.319 -4.669) 4.908 2.381 ( 2.357 5.116 -0.683) 5.674 2.415 ( 3.096 0.871 0.235) 3.225 2.486 ( -3.686 1.231 1.885) 4.319 2.528 ( -0.854 -2.207 1.087) 2.604 2.608 ( 1.709 2.661 3.543) 4.749 2.693 ( 1.715 -4.496 0.354) 4.825 2.752 ( -3.353 7.331 6.318) 10.242 2.832 ( -4.013 -1.780 2.890) 5.256 2.889 ( -1.159 5.633 -0.065) 5.751 2.942 ( -1.987 0.873 1.573) 2.681 2.985 ( 2.983 10.770 -0.486) 11.186 3.176 ( -1.853 -5.425 -4.614) 7.359 3.301 ( -2.529 5.108 3.285) 6.579 3.408 ( 2.347 -1.403 1.925) 3.344 3.693 ( -1.446 7.920 -0.161) 8.053 3.795 ( -1.716 4.460 -0.151) 4.781 3.818 ( 0.681 -2.159 -2.398) 3.298 3.844 ( 5.700 3.592 1.939) 7.011 3.957 ( 0.694 -1.461 1.920) 2.511 4.011 ( -2.917 -1.043 -2.545) 4.009 4.153 ( 2.287 4.347 3.423) 5.987 4.230 ( 3.047 -2.322 2.013) 4.328 4.316 ( 1.935 1.904 -3.934) 4.780 4.406 ( 2.217 -4.225 -4.776) 6.751 4.524 ( 2.707 2.429 -0.857) 3.736 4.580 ( 1.809 2.754 3.604) 4.884 4.612 ( 2.444 -4.010 -1.444) 4.913 4.684 ( 0.717 -6.823 2.517) 7.308 4.815 ( -0.286 8.719 -0.120) 8.725 4.890 ( 4.068 0.284 1.287) 4.276 4.932 ( 4.811 0.763 0.802) 4.937 4.991 ( 2.488 -3.954 -0.433) 4.691 5.242 ( 0.968 9.640 -0.081) 9.689 5.324 ( 6.113 0.739 1.217) 6.276 5.356 ( 5.518 -2.116 1.663) 6.140 5.441 ( -1.962 -9.878 3.900) 10.800 5.472 ( -4.962 6.385 -5.158) 9.592 5.709 ( -7.193 -15.718 -7.756) 18.946 5.946 ( -0.008 4.962 -1.040) 5.069 6.000 ( 1.718 -0.881 -1.483) 2.434 8.244 ( -0.839 4.265 1.771) 4.694 8.309 ( 1.491 -1.545 1.819) 2.814 8.466 ( 3.411 0.021 -0.721) 3.486 8.482 ( 3.634 -0.609 -1.197) 3.874 8.736 ( 3.245 5.392 4.155) 7.541 8.889 ( 8.860 -9.041 5.000) 13.610 9.015 ( -7.579 8.978 -2.525) 12.018 9.239 ( -8.650 -12.575 -6.938) 16.766 9.669 ( -1.365 8.060 1.451) 8.303 9.788 ( -0.920 -1.723 1.449) 2.432 9.868 ( 3.023 3.152 -0.950) 4.470 9.951 ( 1.147 -0.113 -3.604) 3.784 10.156 ( -3.578 -0.671 1.483) 3.931 10.280 ( -0.785 -10.355 0.410) 10.393 10.493 ( 9.539 0.701 0.130) 9.566 10.527 ( 8.875 -2.426 0.918) 9.247 11.430 ( -3.285 0.616 4.288) 5.437 11.444 ( -2.495 0.047 2.633) 3.628 11.588 ( -0.889 5.732 -3.674) 6.866 11.697 ( -1.325 -4.632 -6.447) 8.048 19.237 ( -1.110 2.336 3.257) 4.159 19.283 ( -1.347 -2.487 2.867) 4.027 19.794 ( -6.109 5.342 0.303) 8.121 19.898 ( -7.650 -5.490 -0.727) 9.444 20.242 ( 3.444 0.996 -0.677) 3.649 20.272 ( 3.068 -2.100 -0.432) 3.743 20.436 ( 12.687 1.385 1.358) 12.835 20.481 ( 12.094 -3.385 -1.132) 12.610 21.281 ( -1.948 3.288 4.077) 5.589 21.333 ( -2.591 -2.220 4.576) 5.708 21.527 ( 0.457 4.202 -3.689) 5.610 21.611 ( 0.711 -4.761 -3.882) 6.184 21.912 ( 0.655 0.959 -0.313) 1.202 21.913 ( 0.555 0.771 -0.348) 1.012 22.540 ( -4.070 8.841 -0.604) 9.751 22.655 ( -4.951 -3.003 -5.294) 7.846 ======================= Grid point 92 (50/92) ======================= q-point: ( 0.22 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( -2.293 9.783 5.039) 11.241 1.514 ( -0.201 3.873 6.303) 7.400 1.656 ( 1.330 -2.643 0.859) 3.081 1.694 ( 5.158 0.608 1.323) 5.359 1.799 ( 4.888 0.927 0.035) 4.975 1.864 ( 5.024 -2.772 -0.804) 5.794 2.017 ( -5.887 1.898 -5.587) 8.335 2.051 ( -2.779 -1.656 -6.474) 7.238 2.337 ( -4.722 2.738 -2.916) 6.189 2.377 ( -3.714 -1.690 -0.943) 4.188 2.497 ( -2.947 4.960 -3.095) 6.547 2.538 ( 0.924 2.070 4.689) 5.208 2.632 ( -0.777 0.736 1.734) 2.038 2.641 ( -4.700 -3.133 -3.005) 6.398 2.797 ( 1.515 -1.765 2.703) 3.566 2.815 ( 2.397 -0.721 4.753) 5.372 2.912 ( -1.309 4.087 2.167) 4.807 2.938 ( 0.462 0.639 1.262) 1.488 3.052 ( 3.658 11.791 2.547) 12.605 3.182 ( 4.493 -1.519 -0.843) 4.817 3.382 ( 5.288 7.062 4.159) 9.753 3.525 ( 3.895 -2.201 -0.935) 4.571 3.603 ( -3.333 6.854 1.611) 7.790 3.685 ( -4.948 -2.186 -1.220) 5.546 3.789 ( -0.275 3.400 -2.942) 4.504 3.841 ( -4.598 -0.200 -0.982) 4.706 4.011 ( 5.038 5.125 1.259) 7.296 4.040 ( 1.688 1.910 1.764) 3.100 4.190 ( 1.897 4.734 -3.677) 6.287 4.282 ( 0.149 -3.579 -0.430) 3.608 4.406 ( 6.046 -0.976 2.760) 6.718 4.449 ( 6.063 -2.060 -0.750) 6.448 4.552 ( 2.618 0.870 -2.233) 3.549 4.605 ( 1.161 -3.403 -1.213) 3.794 4.723 ( 6.072 2.637 2.173) 6.967 4.768 ( 0.145 7.711 -1.621) 7.881 4.804 ( 7.688 -4.915 1.080) 9.189 4.923 ( 1.132 -7.573 -4.891) 9.086 5.044 ( 4.339 3.439 4.681) 7.250 5.103 ( 4.303 -2.823 4.488) 6.828 5.217 ( -2.656 7.332 0.487) 7.813 5.325 ( -1.740 4.350 -1.701) 4.984 5.393 ( -4.247 -4.991 0.424) 6.567 5.479 ( 6.256 0.077 -2.079) 6.593 5.517 ( -3.279 -10.324 -5.298) 12.058 5.543 ( 7.184 -4.895 4.015) 9.575 5.924 ( -0.471 6.481 -2.226) 6.869 6.012 ( 0.929 -2.312 -1.876) 3.119 8.239 ( -1.763 5.857 1.185) 6.231 8.337 ( -0.868 -3.464 1.532) 3.886 8.514 ( 3.366 4.088 0.157) 5.297 8.570 ( 5.272 -1.546 -0.440) 5.511 8.761 ( -7.608 5.937 0.596) 9.669 8.802 ( -11.840 0.265 2.771) 12.163 9.125 ( 6.523 -3.823 -3.861) 8.490 9.170 ( 15.810 -7.997 0.035) 17.718 9.655 ( -0.870 7.184 0.707) 7.271 9.781 ( -0.972 -4.552 0.642) 4.699 9.907 ( 3.309 4.162 -4.394) 6.898 9.964 ( 1.588 0.195 1.629) 2.283 10.117 ( -1.492 -1.661 0.994) 2.444 10.266 ( 0.306 -12.845 -2.234) 13.042 10.655 ( 5.398 1.183 0.680) 5.568 10.686 ( 6.144 -1.804 0.990) 6.479 11.399 ( -3.724 0.366 3.819) 5.347 11.414 ( -3.234 -1.146 3.258) 4.731 11.560 ( 1.184 5.581 -2.309) 6.155 11.636 ( 0.712 -2.453 -4.345) 5.041 19.248 ( -0.895 1.914 2.753) 3.470 19.285 ( -0.972 -2.021 2.053) 3.040 19.670 ( -6.059 3.628 -1.099) 7.147 19.737 ( -7.496 -3.422 -1.604) 8.395 20.339 ( 6.673 0.368 -0.441) 6.697 20.360 ( 6.632 -1.682 -0.507) 6.861 20.682 ( 10.705 0.242 0.246) 10.711 20.698 ( 12.173 -1.508 -0.369) 12.272 21.259 ( -4.805 2.285 2.448) 5.856 21.289 ( -4.434 -0.321 2.980) 5.352 21.508 ( 0.636 4.184 -2.828) 5.090 21.618 ( 2.770 -6.925 -1.012) 7.526 21.932 ( 1.956 1.510 -0.065) 2.472 21.940 ( 2.301 0.621 0.151) 2.388 22.434 ( -6.659 6.374 -0.116) 9.219 22.496 ( -7.218 -0.053 -3.219) 7.904 ======================= Grid point 93 (51/92) ======================= q-point: ( 0.33 0.43 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( -1.105 5.958 1.890) 6.347 1.505 ( -3.528 -2.796 2.270) 5.042 1.730 ( -0.881 6.481 -4.711) 8.060 1.758 ( -2.958 4.115 -1.417) 5.262 1.850 ( 1.589 0.507 -0.195) 1.680 1.880 ( 4.687 -1.686 -0.464) 5.003 1.943 ( 4.174 3.541 3.989) 6.773 2.027 ( 0.459 -2.383 2.107) 3.214 2.183 ( -8.327 0.972 -2.848) 8.854 2.235 ( -6.652 -4.366 -0.644) 7.983 2.440 ( 1.276 4.006 -2.358) 4.820 2.506 ( -4.328 -3.514 -0.574) 5.605 2.614 ( -1.164 4.130 3.666) 5.644 2.685 ( 1.989 -0.424 1.357) 2.445 2.811 ( 0.248 4.105 -1.864) 4.516 2.842 ( -0.077 3.140 -0.890) 3.265 2.945 ( -0.018 0.956 2.765) 2.925 2.964 ( 3.513 -3.531 -0.627) 5.020 3.172 ( 5.015 8.291 2.885) 10.110 3.250 ( 1.598 1.473 -0.767) 2.304 3.399 ( -2.486 2.058 0.811) 3.328 3.450 ( -5.324 -2.578 -3.883) 7.076 3.646 ( 3.499 7.176 -0.046) 7.983 3.679 ( -1.303 3.135 3.463) 4.849 3.761 ( -3.006 2.472 2.582) 4.671 3.798 ( 0.632 -1.568 1.840) 2.499 4.069 ( 0.755 6.641 0.086) 6.685 4.133 ( 4.365 2.369 1.858) 5.303 4.167 ( 0.410 7.408 -4.664) 8.763 4.302 ( 4.518 -6.542 -0.952) 8.008 4.507 ( 1.579 0.232 0.955) 1.860 4.535 ( 2.152 -1.639 0.483) 2.748 4.578 ( 4.035 -0.937 -4.153) 5.866 4.613 ( 1.386 -3.271 -0.955) 3.679 4.763 ( 4.294 5.115 -1.423) 6.829 4.852 ( 2.774 -3.019 -0.112) 4.102 4.951 ( 6.533 -2.559 0.519) 7.036 4.964 ( 6.139 -3.488 0.851) 7.112 5.115 ( -2.996 1.879 2.218) 4.175 5.132 ( -0.583 1.313 3.971) 4.223 5.258 ( 2.410 0.080 1.111) 2.655 5.312 ( -1.068 -5.341 2.029) 5.812 5.330 ( 2.460 3.983 -2.112) 5.136 5.427 ( -0.505 -5.740 -2.099) 6.133 5.600 ( 4.522 3.081 -1.748) 5.745 5.676 ( 3.828 -4.557 0.126) 5.953 5.901 ( 0.779 6.000 -1.340) 6.197 5.994 ( -0.451 -3.179 -1.967) 3.765 8.195 ( -3.221 6.419 0.063) 7.182 8.305 ( -3.613 -3.842 0.644) 5.313 8.555 ( -8.834 4.020 0.196) 9.708 8.566 ( -3.100 1.355 4.715) 5.803 8.652 ( 2.260 0.956 0.618) 2.530 8.691 ( -0.814 -1.171 0.874) 1.672 9.295 ( 12.497 5.413 -3.834) 14.148 9.444 ( 13.877 -6.765 -5.204) 16.292 9.670 ( 1.473 4.067 2.987) 5.256 9.774 ( -0.054 -5.910 0.372) 5.922 9.914 ( 2.232 3.889 -3.183) 5.498 10.015 ( 1.739 -4.502 0.662) 4.871 10.116 ( -0.491 -0.271 2.049) 2.124 10.254 ( 0.508 -12.280 -0.937) 12.326 10.668 ( -3.852 3.093 -0.384) 4.955 10.743 ( -0.874 -4.392 0.399) 4.495 11.393 ( -0.225 1.456 2.816) 3.178 11.413 ( -0.027 -0.530 2.680) 2.732 11.577 ( 2.213 4.205 -1.247) 4.912 11.630 ( 1.794 -1.378 -2.468) 3.348 19.256 ( -0.810 1.488 2.177) 2.759 19.287 ( -0.684 -1.735 1.424) 2.346 19.566 ( -3.464 2.378 -1.671) 4.522 19.607 ( -4.493 -1.963 -1.803) 5.224 20.459 ( 6.389 0.743 -0.196) 6.435 20.490 ( 6.765 -2.383 0.491) 7.189 20.834 ( 6.467 2.176 -1.475) 6.981 20.867 ( 5.367 -1.459 -0.561) 5.590 21.164 ( -5.492 5.158 0.930) 7.591 21.275 ( -0.795 -5.592 3.784) 6.798 21.490 ( -0.077 8.104 -2.103) 8.373 21.668 ( 2.352 -9.839 -0.065) 10.117 21.984 ( 3.572 2.281 0.150) 4.241 21.998 ( 3.770 0.692 0.162) 3.836 22.303 ( -7.212 4.674 0.046) 8.594 22.338 ( -7.176 0.893 -1.548) 7.395 ======================= Grid point 94 (52/92) ======================= q-point: ( 0.44 0.43 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( 0.465 4.398 2.249) 4.962 1.490 ( -0.182 -1.906 3.270) 3.789 1.630 ( -1.215 7.260 -1.849) 7.590 1.673 ( -2.619 1.786 0.484) 3.207 1.879 ( 0.475 2.753 -6.131) 6.737 1.939 ( 2.724 -0.216 -3.921) 4.779 1.964 ( -5.152 0.928 -1.354) 5.407 1.997 ( -2.896 -1.003 -2.971) 4.268 2.132 ( 0.807 1.975 5.735) 6.119 2.210 ( -2.855 -4.820 3.177) 6.441 2.420 ( -1.243 -0.539 -0.514) 1.449 2.432 ( 1.923 -1.178 -0.882) 2.421 2.640 ( 1.121 5.407 1.692) 5.775 2.715 ( -0.492 -2.436 1.290) 2.800 2.817 ( 2.072 9.139 -1.214) 9.450 2.881 ( 2.888 2.462 -0.933) 3.908 2.934 ( -2.159 3.942 1.746) 4.822 3.040 ( 4.169 -5.857 2.537) 7.624 3.200 ( 0.040 0.764 -1.894) 2.043 3.260 ( -0.871 -2.214 -1.621) 2.879 3.324 ( -3.186 7.888 3.437) 9.175 3.436 ( 1.789 -0.607 2.034) 2.776 3.639 ( -3.767 7.116 0.588) 8.073 3.700 ( -0.589 7.207 1.114) 7.317 3.759 ( 0.757 4.536 1.349) 4.792 3.819 ( -0.833 -3.512 2.430) 4.352 4.057 ( -0.401 3.716 -2.821) 4.683 4.084 ( -2.145 0.999 -0.462) 2.411 4.249 ( 3.693 6.163 1.356) 7.311 4.382 ( 3.127 -6.284 -1.169) 7.115 4.497 ( -1.174 0.422 -2.134) 2.471 4.528 ( -1.210 -3.432 -2.466) 4.396 4.618 ( 3.649 1.473 -0.836) 4.023 4.680 ( 3.987 -3.821 2.012) 5.877 4.833 ( 2.496 2.993 0.585) 3.941 4.898 ( 1.238 -2.759 0.283) 3.037 5.019 ( 1.102 1.558 -0.381) 1.946 5.063 ( 1.501 -3.382 1.737) 4.088 5.099 ( -0.419 1.035 0.518) 1.231 5.137 ( -1.082 -1.643 1.900) 2.735 5.287 ( 2.205 1.240 -0.738) 2.635 5.312 ( 0.385 -0.228 -0.050) 0.450 5.405 ( 2.254 -0.604 1.302) 2.672 5.432 ( 0.176 -2.761 1.249) 3.035 5.589 ( -1.190 3.992 -4.256) 5.955 5.682 ( 0.182 -5.193 -3.945) 6.524 5.945 ( 3.412 2.089 0.681) 4.058 5.973 ( -0.691 -0.803 -0.005) 1.059 8.149 ( -1.410 5.296 0.781) 5.536 8.237 ( -2.659 -3.021 -0.359) 4.041 8.463 ( -2.508 4.036 2.028) 5.166 8.507 ( -4.980 -1.441 3.164) 6.074 8.712 ( 1.911 1.806 2.576) 3.681 8.730 ( 0.944 1.147 2.125) 2.593 9.431 ( 6.627 6.425 -7.218) 11.717 9.515 ( 3.352 1.415 -10.026) 10.666 9.754 ( 1.575 -2.142 2.971) 3.987 9.798 ( 1.011 -4.589 2.180) 5.180 9.943 ( 2.087 -1.522 -0.812) 2.708 10.031 ( 1.047 -7.266 -2.330) 7.702 10.149 ( 1.939 0.754 4.195) 4.682 10.283 ( 0.704 -11.260 4.318) 12.081 10.557 ( -4.853 6.588 -1.909) 8.402 10.689 ( -3.199 -7.057 -1.619) 7.915 11.420 ( -0.369 2.371 2.169) 3.235 11.442 ( -0.325 0.263 2.280) 2.318 11.604 ( 1.700 3.076 -1.276) 3.740 11.643 ( 1.749 -0.909 -1.897) 2.736 19.258 ( -1.119 1.340 1.668) 2.414 19.287 ( -0.717 -1.714 1.135) 2.177 19.515 ( -0.282 1.547 -1.669) 2.293 19.539 ( -1.061 -1.039 -1.563) 2.156 20.555 ( 3.199 0.935 0.428) 3.360 20.592 ( 2.878 -2.875 0.466) 4.095 20.894 ( 2.102 0.861 -1.368) 2.652 20.900 ( 0.445 -0.013 -0.761) 0.881 21.110 ( -2.003 9.401 2.561) 9.948 21.305 ( -0.758 -10.578 1.811) 10.759 21.474 ( 0.698 10.693 -0.699) 10.739 21.687 ( 0.479 -11.169 -1.713) 11.309 22.063 ( 4.538 3.016 0.126) 5.450 22.076 ( 3.874 1.696 0.090) 4.230 22.180 ( -5.706 3.535 0.337) 6.721 22.209 ( -4.740 0.193 -0.772) 4.806 ======================= Grid point 95 (53/92) ======================= q-point: (-0.44 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( -2.275 3.788 4.275) 6.148 1.506 ( -4.760 -1.275 2.687) 5.612 1.667 ( 4.250 2.653 0.177) 5.013 1.712 ( 3.996 -1.801 -0.596) 4.423 1.772 ( 0.090 7.330 -5.348) 9.074 1.849 ( -4.515 -0.975 -6.807) 8.226 1.908 ( 0.119 2.876 -1.352) 3.180 1.956 ( 1.448 -1.703 -1.438) 2.658 2.163 ( 1.345 0.150 0.948) 1.652 2.185 ( 2.422 -2.110 2.294) 3.948 2.484 ( 4.002 1.266 1.030) 4.322 2.499 ( 2.808 -0.171 -0.174) 2.819 2.647 ( -1.861 4.681 2.292) 5.534 2.704 ( -1.740 -1.765 2.551) 3.557 2.795 ( -2.438 5.803 -3.681) 7.291 2.850 ( -1.654 0.363 -3.348) 3.752 2.951 ( -2.562 9.452 5.207) 11.092 3.105 ( -3.274 -6.711 4.056) 8.498 3.220 ( 5.738 3.355 -1.461) 6.806 3.267 ( -1.206 1.649 -0.200) 2.052 3.365 ( 3.339 1.078 3.064) 4.658 3.450 ( -2.575 -4.303 3.842) 6.317 3.576 ( -0.260 12.512 -0.720) 12.535 3.667 ( 0.142 4.896 -2.323) 5.421 3.796 ( -0.901 4.036 2.902) 5.052 3.837 ( -0.844 0.048 3.682) 3.778 4.020 ( 0.535 2.212 -3.871) 4.491 4.059 ( -0.543 -2.089 -2.411) 3.236 4.299 ( -0.695 4.249 2.996) 5.245 4.376 ( -2.701 -3.855 -0.907) 4.794 4.455 ( -0.002 -0.273 -2.632) 2.646 4.477 ( -0.011 -2.855 -4.147) 5.035 4.672 ( 0.532 3.013 2.131) 3.729 4.747 ( -1.321 -3.536 2.022) 4.282 4.854 ( -0.206 2.560 0.789) 2.686 4.887 ( -1.256 -0.608 -0.130) 1.401 5.005 ( -1.965 1.906 -0.512) 2.785 5.047 ( -3.789 -0.997 -0.490) 3.948 5.089 ( -0.530 0.260 1.475) 1.589 5.146 ( -0.946 -4.553 3.476) 5.806 5.300 ( 0.182 2.631 -0.274) 2.652 5.361 ( 1.432 -3.684 0.676) 4.010 5.370 ( -4.856 0.197 0.233) 4.865 5.404 ( -2.239 -2.663 -0.864) 3.585 5.554 ( 1.688 4.146 -4.085) 6.061 5.655 ( 0.550 -6.078 -3.916) 7.251 5.959 ( -0.772 3.794 0.709) 3.936 6.011 ( 2.471 -1.455 0.433) 2.900 8.166 ( 1.601 4.229 1.409) 4.737 8.225 ( 1.889 -0.751 -0.799) 2.184 8.476 ( -0.272 1.223 1.739) 2.143 8.494 ( 3.092 -0.184 3.183) 4.442 8.739 ( -2.503 3.089 3.498) 5.295 8.761 ( -0.818 1.063 3.824) 4.052 9.381 ( -3.451 2.727 -8.032) 9.158 9.432 ( -0.376 0.785 -11.264) 11.297 9.757 ( -4.555 -2.179 2.851) 5.799 9.812 ( -1.297 -7.405 1.686) 7.705 9.958 ( 0.242 1.792 -0.796) 1.975 10.009 ( 0.503 -4.819 -2.835) 5.614 10.203 ( -4.299 3.047 6.227) 8.157 10.373 ( 2.158 -12.618 6.882) 14.534 10.525 ( 4.911 4.928 -3.324) 7.711 10.634 ( 1.282 -6.051 -4.220) 7.488 11.405 ( -3.311 2.625 1.643) 4.534 11.431 ( -2.939 0.015 1.921) 3.511 11.611 ( 0.363 3.580 -1.092) 3.760 11.658 ( 1.664 -1.252 -1.245) 2.426 19.247 ( -1.545 1.594 1.281) 2.563 19.281 ( -1.045 -2.029 1.065) 2.518 19.520 ( 2.384 1.176 -1.501) 3.053 19.538 ( 2.581 -0.729 -1.517) 3.081 20.567 ( -2.658 0.236 0.973) 2.840 20.584 ( -3.674 -1.435 -0.004) 3.944 20.901 ( 0.364 0.882 -0.997) 1.380 20.916 ( 1.078 -0.764 -0.934) 1.618 21.119 ( -0.797 8.690 3.523) 9.411 21.258 ( -3.790 -3.130 -0.099) 4.916 21.510 ( 2.034 2.928 1.139) 3.743 21.660 ( -0.425 -9.969 -2.921) 10.397 22.056 ( -4.265 2.902 -0.051) 5.159 22.069 ( -4.285 1.580 -0.054) 4.567 22.188 ( 5.836 4.370 0.343) 7.299 22.234 ( 6.721 -0.545 -0.075) 6.743 ======================= Grid point 96 (54/92) ======================= q-point: (-0.33 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( -5.712 6.572 -0.506) 8.722 1.441 ( -3.174 1.589 4.474) 5.712 1.643 ( -0.822 2.161 -3.982) 4.605 1.668 ( -2.759 -0.791 -3.416) 4.461 1.761 ( -0.645 3.173 -3.431) 4.718 1.841 ( -0.020 -4.134 -2.854) 5.024 1.970 ( 6.904 4.033 3.052) 8.558 2.055 ( 9.347 -4.504 2.768) 10.738 2.276 ( 6.219 2.207 -0.034) 6.599 2.314 ( 6.930 -1.636 0.991) 7.190 2.517 ( 3.486 3.245 -1.219) 4.916 2.526 ( 1.741 3.073 -2.170) 4.145 2.638 ( -3.277 5.905 5.507) 8.714 2.689 ( -5.072 3.906 0.038) 6.402 2.711 ( -1.194 1.062 1.040) 1.907 2.790 ( -1.272 -1.464 -4.003) 4.448 2.901 ( -5.375 4.420 -0.006) 6.959 3.039 ( -5.522 -8.037 2.686) 10.115 3.187 ( -5.194 6.884 2.573) 9.000 3.279 ( -0.197 -1.256 -1.925) 2.307 3.392 ( -1.046 7.671 1.715) 7.930 3.510 ( -1.056 8.319 -2.844) 8.855 3.573 ( 3.492 -3.487 2.944) 5.747 3.656 ( -5.314 -0.370 -0.171) 5.330 3.792 ( 2.992 6.943 5.116) 9.129 3.884 ( 0.848 -1.395 2.721) 3.174 4.004 ( 1.870 1.912 -4.834) 5.525 4.037 ( 1.408 -0.718 -0.888) 1.813 4.251 ( -6.125 0.784 -1.046) 6.263 4.284 ( -6.060 -1.936 -0.066) 6.362 4.451 ( 0.733 0.382 -2.073) 2.231 4.462 ( 0.979 -1.351 -0.293) 1.694 4.640 ( -4.040 0.427 -1.025) 4.190 4.658 ( -5.739 -1.516 -1.972) 6.255 4.820 ( -5.669 3.760 -0.190) 6.805 4.887 ( 0.525 0.082 0.820) 0.977 4.932 ( -4.880 3.451 1.677) 6.207 4.983 ( -2.770 0.287 -0.332) 2.804 5.099 ( -2.118 0.915 2.729) 3.574 5.187 ( 0.260 -7.292 6.903) 10.045 5.257 ( -3.677 -1.085 -0.491) 3.865 5.268 ( -5.919 -1.463 1.826) 6.365 5.346 ( 2.584 5.149 -2.697) 6.361 5.460 ( 4.250 -4.831 -2.187) 6.797 5.530 ( 0.251 -0.780 -2.163) 2.313 5.594 ( -3.417 -4.967 -2.359) 6.474 5.956 ( 0.043 5.716 -0.342) 5.727 6.040 ( 0.607 -2.632 -0.600) 2.767 8.203 ( 1.116 4.566 0.288) 4.709 8.277 ( 3.033 -2.517 0.094) 3.943 8.534 ( 4.753 6.948 2.069) 8.669 8.648 ( 8.046 -4.021 4.393) 10.011 8.701 ( -4.071 5.052 2.052) 6.805 8.756 ( -3.641 -0.137 3.942) 5.368 9.202 ( -6.412 0.578 -6.875) 9.419 9.266 ( -7.232 -4.615 -8.112) 11.807 9.684 ( -4.302 1.658 1.344) 4.802 9.782 ( -2.419 -7.490 0.015) 7.871 9.945 ( -1.172 -1.117 -0.494) 1.693 9.995 ( 0.879 -7.001 -2.074) 7.354 10.178 ( -3.413 11.587 4.804) 12.999 10.383 ( -4.062 -8.424 0.651) 9.375 10.637 ( 5.444 -2.719 0.446) 6.101 10.654 ( 3.136 -2.808 -2.692) 4.996 11.346 ( -3.679 2.521 1.251) 4.632 11.385 ( -3.212 -1.504 1.571) 3.879 11.607 ( 0.392 5.656 -0.475) 5.689 11.686 ( 2.423 -2.424 -0.386) 3.449 19.229 ( -1.614 1.923 1.272) 2.815 19.270 ( -1.290 -2.398 1.210) 2.980 19.568 ( 4.381 1.923 -1.528) 5.023 19.601 ( 5.826 -1.597 -1.824) 6.310 20.480 ( -6.615 0.408 -0.040) 6.627 20.495 ( -5.980 -1.186 0.894) 6.162 20.837 ( -7.257 2.589 -1.516) 7.853 20.879 ( -4.646 -1.816 -0.409) 5.005 21.148 ( 1.934 4.711 0.677) 5.138 21.224 ( -0.761 -1.605 2.123) 2.769 21.545 ( 1.025 1.537 -0.090) 1.850 21.641 ( 0.898 -7.356 -0.879) 7.462 21.984 ( -3.298 2.056 0.146) 3.889 21.993 ( -3.568 1.111 0.095) 3.739 22.315 ( 7.277 6.180 0.054) 9.547 22.387 ( 9.545 -1.177 -0.207) 9.619 ======================= Grid point 97 (55/92) ======================= q-point: (-0.22 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( -2.321 12.928 2.469) 13.365 1.433 ( -3.259 8.138 4.622) 9.910 1.569 ( -2.594 0.968 -2.373) 3.647 1.648 ( 1.703 -4.122 -0.655) 4.508 1.736 ( -0.158 -1.107 -1.511) 1.880 1.773 ( -2.187 -6.430 -2.417) 7.209 2.078 ( 1.004 5.269 -2.232) 5.810 2.163 ( -0.443 -3.734 -3.660) 5.247 2.340 ( 5.520 4.220 -0.407) 6.960 2.411 ( 4.695 -2.336 -0.274) 5.251 2.489 ( -2.500 8.298 -4.244) 9.650 2.593 ( -2.836 1.974 1.357) 3.712 2.620 ( -4.711 5.918 3.159) 8.197 2.666 ( -0.814 -1.837 1.947) 2.798 2.724 ( 2.764 3.074 -0.232) 4.140 2.748 ( 5.994 -0.557 2.145) 6.391 2.835 ( -0.949 3.924 0.866) 4.129 3.004 ( -2.587 -10.417 2.909) 11.120 3.140 ( -3.487 7.226 4.618) 9.257 3.240 ( -1.703 -1.817 -0.076) 2.492 3.279 ( -7.736 11.580 0.352) 13.931 3.434 ( -3.754 3.774 -1.409) 5.507 3.618 ( 2.820 2.565 -2.389) 4.499 3.666 ( 2.032 -4.399 0.862) 4.922 3.868 ( -0.410 1.389 1.471) 2.064 3.918 ( -0.605 -2.168 1.104) 2.507 3.999 ( -2.463 5.950 -0.719) 6.480 4.081 ( 1.172 1.191 1.799) 2.455 4.094 ( -3.857 -0.548 -3.123) 4.993 4.160 ( -3.333 -3.418 -1.114) 4.903 4.437 ( -0.785 0.741 -0.812) 1.350 4.459 ( -1.211 -1.236 -1.947) 2.605 4.537 ( -4.713 0.980 -0.490) 4.838 4.576 ( -1.885 -1.298 0.324) 2.312 4.733 ( -4.869 4.262 2.740) 7.027 4.828 ( -2.512 -2.285 -0.950) 3.526 4.883 ( -5.427 0.818 -1.217) 5.621 4.905 ( -4.538 -1.699 -0.623) 4.885 5.063 ( -4.921 6.222 4.816) 9.280 5.172 ( -6.617 -2.550 3.423) 7.874 5.221 ( -0.298 -0.122 -1.846) 1.874 5.231 ( -0.483 -2.269 0.651) 2.410 5.365 ( -2.893 4.944 -3.982) 6.976 5.462 ( 1.047 -2.344 -0.281) 2.583 5.476 ( -0.159 1.937 -0.141) 1.948 5.657 ( 9.049 -12.410 0.289) 15.362 5.952 ( 0.605 4.757 -1.326) 4.975 6.027 ( -0.384 -2.951 -1.660) 3.407 8.221 ( 0.542 5.014 0.621) 5.082 8.308 ( -0.257 -4.054 0.943) 4.170 8.603 ( -5.196 4.071 3.160) 7.319 8.640 ( -5.192 5.039 -0.400) 7.246 8.696 ( 1.122 3.109 2.718) 4.280 8.824 ( 0.269 -5.334 -0.047) 5.341 9.055 ( -4.996 0.478 -2.274) 5.510 9.128 ( 6.992 -6.377 -3.423) 10.063 9.642 ( -1.044 3.910 0.034) 4.047 9.747 ( -0.675 -6.476 -0.441) 6.526 9.900 ( -1.892 1.809 -1.155) 2.861 10.018 ( 2.038 -9.422 -0.455) 9.650 10.158 ( -2.848 8.631 2.629) 9.461 10.289 ( -4.182 -5.359 -2.703) 7.315 10.640 ( -3.849 -0.866 0.348) 3.961 10.658 ( -4.605 -3.206 1.164) 5.730 11.326 ( 0.540 2.132 1.204) 2.508 11.373 ( 0.804 -2.511 1.170) 2.884 11.622 ( 1.640 7.521 -0.368) 7.706 11.742 ( 3.845 -4.381 -0.600) 5.860 19.216 ( -1.384 2.129 1.829) 3.129 19.261 ( -1.217 -2.666 1.921) 3.504 19.651 ( 6.079 3.442 -1.529) 7.151 19.712 ( 8.172 -3.099 -2.199) 9.012 20.352 ( -6.528 0.735 -0.333) 6.578 20.377 ( -7.131 -1.861 -0.020) 7.369 20.640 ( -11.568 4.696 -0.447) 12.493 20.734 ( -10.510 -5.223 0.251) 11.739 21.196 ( 2.337 2.813 0.363) 3.675 21.243 ( 0.377 -1.705 1.629) 2.388 21.561 ( 1.443 4.021 -0.870) 4.360 21.660 ( 0.871 -6.105 0.146) 6.169 21.939 ( -1.679 1.407 0.109) 2.194 21.944 ( -1.859 0.937 0.248) 2.097 22.448 ( 6.935 8.741 -0.299) 11.162 22.570 ( 10.522 -3.653 -1.252) 11.209 ======================= Grid point 98 (56/92) ======================= q-point: (-0.11 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( -3.545 15.843 3.951) 16.709 1.409 ( -3.367 16.489 4.214) 17.349 1.498 ( -4.667 -2.106 0.840) 5.189 1.648 ( -4.137 -1.110 -0.722) 4.343 1.695 ( 1.081 -7.256 1.768) 7.546 1.770 ( 0.170 -10.232 0.462) 10.244 2.051 ( 2.817 4.108 -5.391) 7.340 2.126 ( 4.090 -3.379 -5.349) 7.534 2.372 ( -2.079 9.915 -1.370) 10.223 2.413 ( 0.099 3.592 1.234) 3.799 2.488 ( -0.481 -3.120 -3.612) 4.797 2.512 ( -2.476 -0.948 -0.092) 2.653 2.573 ( -5.425 7.340 7.257) 11.661 2.642 ( -2.549 -1.310 5.877) 6.539 2.796 ( 0.058 5.837 2.202) 6.239 2.864 ( 3.795 4.251 0.851) 5.761 2.882 ( 2.258 -1.525 -2.623) 3.782 2.976 ( -0.020 -3.383 1.026) 3.536 3.069 ( -6.377 11.893 1.883) 13.626 3.272 ( 7.016 5.037 2.291) 8.935 3.343 ( 7.689 -4.575 5.564) 10.536 3.355 ( -2.546 -1.944 -1.483) 3.530 3.600 ( -4.539 0.506 -4.355) 6.310 3.639 ( -7.509 -4.540 -2.358) 9.086 3.760 ( -2.469 8.606 -1.196) 9.032 3.863 ( -0.654 -2.369 -1.420) 2.838 3.990 ( -0.697 -0.811 2.821) 3.017 4.004 ( -1.812 -1.498 1.666) 2.881 4.146 ( 2.235 8.848 -1.028) 9.184 4.234 ( 5.207 -2.187 1.123) 5.759 4.371 ( -4.188 1.272 -2.270) 4.930 4.415 ( 0.752 -3.729 -0.055) 3.805 4.520 ( 1.338 2.788 0.712) 3.174 4.541 ( -2.963 2.777 -2.519) 4.779 4.679 ( -3.178 -1.250 3.258) 4.720 4.724 ( -9.082 -5.479 -1.205) 10.675 4.802 ( -1.729 1.329 1.552) 2.677 4.828 ( -2.660 -1.515 0.536) 3.108 5.002 ( -5.648 6.909 2.407) 9.243 5.072 ( -6.284 1.078 1.311) 6.509 5.198 ( -0.458 -0.221 -0.772) 0.924 5.240 ( 0.083 1.058 0.498) 1.173 5.249 ( -2.796 0.505 -1.275) 3.114 5.384 ( -1.188 -7.171 -2.776) 7.781 5.610 ( 5.802 7.132 -0.299) 9.199 5.813 ( 7.359 -9.959 -1.916) 12.530 5.954 ( 0.487 2.204 -0.885) 2.424 6.007 ( 0.618 -4.536 -2.821) 5.377 8.237 ( 0.074 3.994 1.569) 4.292 8.292 ( -2.464 -1.335 1.518) 3.187 8.487 ( -5.625 3.273 -1.473) 6.672 8.534 ( -5.342 -2.128 0.069) 5.751 8.702 ( -4.314 -1.909 3.043) 5.614 8.720 ( -4.987 -4.442 1.428) 6.830 9.087 ( 6.104 12.358 -1.025) 13.821 9.332 ( 12.999 -11.485 -3.675) 17.731 9.640 ( 0.582 5.214 0.181) 5.249 9.755 ( 0.805 -6.482 1.519) 6.706 9.869 ( -0.118 7.404 -1.260) 7.511 10.024 ( -0.886 -5.492 -2.388) 6.054 10.130 ( -2.082 3.287 1.963) 4.358 10.217 ( -0.028 -7.559 -0.937) 7.617 10.527 ( -8.279 -1.338 0.394) 8.395 10.533 ( -8.141 -2.133 1.421) 8.535 11.374 ( 2.179 2.387 1.992) 3.796 11.418 ( 2.168 -1.461 0.882) 2.759 11.648 ( 1.711 7.634 -1.560) 7.977 11.797 ( 3.342 -6.729 -3.080) 8.120 19.215 ( -1.127 2.316 2.734) 3.755 19.265 ( -1.066 -2.954 3.085) 4.402 19.761 ( 6.513 5.161 -0.344) 8.317 19.854 ( 9.089 -4.615 -2.079) 10.403 20.249 ( -4.909 -0.199 -0.789) 4.976 20.252 ( -3.469 -0.431 -0.396) 3.518 20.435 ( -10.266 3.621 0.798) 10.915 20.521 ( -11.843 -5.618 0.066) 13.108 21.237 ( 1.066 2.239 1.495) 2.896 21.268 ( 0.206 -0.724 2.658) 2.762 21.573 ( 0.985 4.577 -1.854) 5.036 21.664 ( 0.100 -5.102 -1.186) 5.239 21.921 ( -0.422 1.117 -0.176) 1.206 21.925 ( -0.510 0.619 -0.117) 0.810 22.552 ( 4.435 10.910 -0.810) 11.805 22.723 ( 7.676 -6.710 -3.753) 10.864 ======================= Grid point 126 (57/92) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( -7.719 0.000 17.684) 19.295 0.900 ( -0.638 0.000 20.145) 20.155 1.030 ( 4.054 0.000 -13.798) 14.381 1.252 ( 0.065 0.000 -13.482) 13.482 1.583 ( -6.898 0.000 24.310) 25.270 1.844 ( 10.743 0.000 -6.719) 12.671 1.993 ( 0.392 0.000 3.710) 3.731 2.029 ( 6.247 0.000 5.583) 8.378 2.232 ( -1.077 0.000 2.131) 2.387 2.277 ( -5.312 0.000 -1.529) 5.527 2.479 ( 2.901 0.000 10.484) 10.878 2.577 ( -0.555 0.000 0.465) 0.724 2.580 ( -1.995 0.000 -0.750) 2.132 2.608 ( -0.491 0.000 -1.156) 1.256 2.713 ( -3.975 0.000 -4.081) 5.697 2.747 ( -5.250 0.000 -0.677) 5.293 2.803 ( 3.022 0.000 -9.131) 9.618 2.853 ( -0.191 0.000 -4.167) 4.171 2.911 ( -1.326 0.000 3.416) 3.664 3.026 ( 1.444 0.000 -8.176) 8.302 3.039 ( 2.321 0.000 2.256) 3.236 3.141 ( -6.348 0.000 -8.950) 10.973 3.303 ( 3.190 0.000 2.158) 3.852 3.358 ( 1.277 0.000 -3.238) 3.481 3.694 ( -4.102 0.000 9.549) 10.393 3.797 ( -2.170 0.000 2.111) 3.028 3.955 ( 4.842 0.000 -1.714) 5.136 4.012 ( 3.905 0.000 -3.672) 5.360 4.240 ( 4.684 0.000 2.293) 5.215 4.306 ( -6.136 0.000 2.932) 6.801 4.324 ( -3.406 0.000 -5.128) 6.156 4.385 ( 4.761 0.000 -4.867) 6.808 4.537 ( -4.470 0.000 6.223) 7.663 4.617 ( -3.876 0.000 -0.795) 3.956 4.641 ( 2.981 0.000 -0.003) 2.981 4.669 ( 2.187 0.000 -3.899) 4.470 4.886 ( -4.282 0.000 4.547) 6.246 4.940 ( 8.702 0.000 -2.283) 8.997 4.984 ( -5.331 0.000 11.293) 12.488 5.124 ( -0.943 0.000 0.447) 1.043 5.162 ( -0.111 0.000 0.284) 0.305 5.251 ( 1.428 0.000 -10.161) 10.261 5.318 ( 1.937 0.000 2.210) 2.939 5.373 ( 0.133 0.000 -3.430) 3.432 5.669 ( 4.954 0.000 2.831) 5.706 5.732 ( -4.471 0.000 -3.213) 5.506 5.838 ( 0.128 0.000 12.735) 12.736 6.088 ( -0.161 0.000 -11.831) 11.832 8.180 ( 4.831 0.000 6.543) 8.133 8.269 ( -1.861 0.000 2.778) 3.344 8.316 ( 1.735 0.000 -2.034) 2.673 8.339 ( -5.835 0.000 -9.387) 11.053 8.842 ( 8.714 0.000 3.925) 9.557 8.902 ( -7.002 0.000 -1.983) 7.278 9.149 ( -4.004 0.000 5.279) 6.626 9.250 ( 3.302 0.000 -4.878) 5.890 9.654 ( -14.008 0.000 -0.651) 14.023 9.656 ( 8.582 0.000 -0.644) 8.606 10.238 ( 3.158 0.000 9.156) 9.685 10.269 ( 3.881 0.000 6.860) 7.882 10.401 ( -1.883 0.000 -6.278) 6.554 10.424 ( -4.999 0.000 -9.072) 10.358 10.553 ( -5.976 0.000 1.043) 6.067 10.576 ( 7.229 0.000 -1.590) 7.402 11.124 ( 3.235 0.000 3.334) 4.646 11.191 ( -1.678 0.000 -3.307) 3.709 11.736 ( 2.157 0.000 2.808) 3.541 11.777 ( -1.065 0.000 -1.522) 1.858 19.217 ( -1.579 0.000 4.247) 4.531 19.303 ( 1.720 0.000 -4.463) 4.783 20.081 ( -19.663 0.000 1.268) 19.704 20.105 ( 12.460 0.000 -1.129) 12.511 20.260 ( -4.262 0.000 0.039) 4.262 20.265 ( 3.373 0.000 -0.407) 3.397 20.562 ( -0.706 0.000 2.372) 2.475 20.605 ( 1.631 0.000 -1.955) 2.546 21.095 ( -0.677 0.000 3.436) 3.503 21.172 ( 1.225 0.000 -4.460) 4.625 21.575 ( -10.298 0.000 3.987) 11.043 21.638 ( 17.407 0.000 -2.471) 17.582 21.827 ( -0.296 0.000 0.653) 0.717 21.846 ( 0.263 0.000 -1.318) 1.344 22.112 ( -1.462 0.000 0.542) 1.559 22.120 ( 1.757 0.000 -0.299) 1.782 ======================= Grid point 127 (58/92) ======================= q-point: ( 0.11 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( 6.257 0.000 16.654) 17.791 1.084 ( 12.553 0.000 -13.634) 18.533 1.144 ( 4.850 0.000 16.265) 16.972 1.168 ( 8.327 0.000 -15.481) 17.578 1.590 ( -5.287 0.000 6.329) 8.247 1.954 ( 7.359 0.000 -7.867) 10.772 2.007 ( -2.342 0.000 -4.137) 4.754 2.035 ( 1.840 0.000 -7.244) 7.474 2.218 ( -5.105 0.000 -6.051) 7.917 2.332 ( 4.007 0.000 9.531) 10.339 2.454 ( -7.952 0.000 -3.167) 8.560 2.495 ( -7.096 0.000 0.058) 7.096 2.550 ( -2.219 0.000 4.965) 5.438 2.608 ( 1.444 0.000 -1.147) 1.844 2.657 ( -9.038 0.000 3.909) 9.847 2.685 ( -1.940 0.000 5.530) 5.860 2.755 ( 1.285 0.000 -4.204) 4.396 2.848 ( 3.207 0.000 0.588) 3.260 2.865 ( -3.115 0.000 9.631) 10.122 2.940 ( -1.556 0.000 -3.807) 4.112 3.007 ( -1.155 0.000 -4.269) 4.422 3.141 ( 1.928 0.000 7.505) 7.748 3.450 ( 7.174 0.000 -3.968) 8.198 3.494 ( 14.809 0.000 0.436) 14.815 3.725 ( -2.338 0.000 8.453) 8.770 3.768 ( -1.673 0.000 1.673) 2.366 3.983 ( 0.282 0.000 -6.373) 6.379 4.050 ( 7.578 0.000 -6.539) 10.009 4.210 ( -2.817 0.000 -6.202) 6.812 4.213 ( -8.268 0.000 4.998) 9.661 4.340 ( 2.034 0.000 4.540) 4.975 4.443 ( 6.585 0.000 -1.747) 6.813 4.567 ( -1.810 0.000 2.998) 3.502 4.588 ( 3.581 0.000 5.183) 6.300 4.713 ( 5.314 0.000 -4.831) 7.181 4.749 ( 7.725 0.000 0.887) 7.776 4.822 ( -2.394 0.000 -0.835) 2.536 5.014 ( 2.114 0.000 -6.567) 6.899 5.087 ( 1.202 0.000 10.963) 11.028 5.144 ( -1.009 0.000 2.180) 2.403 5.175 ( -0.483 0.000 2.929) 2.968 5.238 ( 9.025 0.000 -6.728) 11.257 5.347 ( 3.006 0.000 -7.149) 7.755 5.385 ( 3.658 0.000 1.834) 4.092 5.619 ( -3.153 0.000 -2.426) 3.978 5.788 ( 4.001 0.000 1.717) 4.354 5.865 ( -8.516 0.000 -12.149) 14.837 5.879 ( -8.486 0.000 12.056) 14.743 8.145 ( -5.507 0.000 -7.805) 9.552 8.242 ( -2.395 0.000 5.826) 6.299 8.343 ( 2.971 0.000 -1.657) 3.402 8.380 ( 6.410 0.000 6.222) 8.933 8.700 ( -9.969 0.000 -3.501) 10.566 8.968 ( 0.473 0.000 -1.661) 1.727 9.187 ( 3.052 0.000 9.236) 9.728 9.281 ( 1.905 0.000 -6.009) 6.303 9.456 ( -5.307 0.000 4.153) 6.739 9.751 ( 1.062 0.000 1.278) 1.662 10.248 ( -3.487 0.000 -7.142) 7.947 10.339 ( -0.873 0.000 4.491) 4.575 10.440 ( 8.441 0.000 -1.844) 8.640 10.480 ( 9.001 0.000 3.500) 9.658 10.558 ( 7.195 0.000 1.830) 7.424 10.727 ( 10.148 0.000 -0.861) 10.184 11.096 ( -3.877 0.000 -4.759) 6.139 11.185 ( 0.667 0.000 2.378) 2.470 11.689 ( -5.782 0.000 -2.836) 6.440 11.747 ( -2.486 0.000 1.087) 2.713 19.233 ( -1.152 0.000 4.239) 4.393 19.293 ( 1.875 0.000 -4.505) 4.880 19.795 ( -14.323 0.000 6.540) 15.745 20.088 ( -13.075 0.000 -1.602) 13.172 20.292 ( 6.494 0.000 1.806) 6.740 20.321 ( 3.991 0.000 0.133) 3.994 20.672 ( 5.187 0.000 -3.345) 6.172 20.747 ( 14.529 0.000 6.733) 16.014 21.110 ( -1.797 0.000 3.664) 4.081 21.168 ( 4.258 0.000 -4.339) 6.079 21.393 ( -9.862 0.000 -1.745) 10.015 21.822 ( 1.230 0.000 -1.484) 1.927 21.840 ( 0.456 0.000 -0.803) 0.923 21.845 ( 8.435 0.000 -5.308) 9.966 22.075 ( -2.844 0.000 0.376) 2.869 22.143 ( 1.812 0.000 -1.492) 2.348 ======================= Grid point 128 (59/92) ======================= q-point: ( 0.22 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( -0.717 0.000 -15.305) 15.322 1.102 ( 1.501 0.000 8.286) 8.421 1.291 ( 15.795 0.000 -10.004) 18.697 1.349 ( 5.033 0.000 3.633) 6.207 1.584 ( 0.532 0.000 1.838) 1.913 1.928 ( -1.564 0.000 -14.184) 14.270 1.931 ( 0.531 0.000 -6.644) 6.665 1.945 ( -8.507 0.000 -0.683) 8.534 2.060 ( 0.401 0.000 0.572) 0.699 2.301 ( -9.846 0.000 3.162) 10.341 2.317 ( -3.603 0.000 -0.647) 3.660 2.437 ( 1.313 0.000 -0.042) 1.313 2.516 ( -3.239 0.000 -1.070) 3.411 2.570 ( -1.567 0.000 2.598) 3.034 2.654 ( 9.072 0.000 -9.331) 13.014 2.714 ( -0.707 0.000 7.679) 7.711 2.745 ( -3.886 0.000 0.972) 4.006 2.898 ( -0.582 0.000 -3.119) 3.172 2.922 ( -0.897 0.000 4.671) 4.756 2.999 ( 2.327 0.000 9.811) 10.083 3.001 ( 2.752 0.000 -1.866) 3.325 3.215 ( -3.896 0.000 10.469) 11.171 3.519 ( 4.774 0.000 -0.563) 4.807 3.715 ( -2.489 0.000 2.677) 3.655 3.774 ( 1.909 0.000 7.640) 7.874 3.865 ( 15.481 0.000 3.302) 15.829 3.994 ( 0.874 0.000 1.891) 2.083 4.038 ( -1.150 0.000 -6.512) 6.613 4.103 ( -6.713 0.000 3.057) 7.376 4.133 ( 2.823 0.000 -9.330) 9.748 4.388 ( -2.133 0.000 5.755) 6.138 4.544 ( 0.661 0.000 -0.121) 0.672 4.650 ( 10.959 0.000 1.045) 11.009 4.720 ( 5.125 0.000 2.561) 5.729 4.756 ( 4.582 0.000 -3.697) 5.888 4.783 ( 1.572 0.000 -4.827) 5.077 4.909 ( 9.241 0.000 -1.285) 9.330 4.934 ( -3.320 0.000 -4.352) 5.474 5.145 ( -0.624 0.000 0.481) 0.788 5.182 ( -3.508 0.000 5.030) 6.132 5.195 ( 1.697 0.000 3.482) 3.874 5.298 ( 1.350 0.000 -1.465) 1.993 5.393 ( 10.363 0.000 -10.493) 14.748 5.479 ( 2.260 0.000 2.014) 3.027 5.585 ( -0.994 0.000 2.568) 2.754 5.645 ( -0.865 0.000 -5.996) 6.058 5.838 ( -4.669 0.000 7.342) 8.701 5.838 ( 0.287 0.000 -0.252) 0.382 8.000 ( -3.259 0.000 -4.755) 5.764 8.268 ( -1.546 0.000 6.650) 6.827 8.387 ( 2.475 0.000 0.087) 2.476 8.435 ( -8.583 0.000 -1.348) 8.688 8.594 ( 3.253 0.000 3.414) 4.716 8.869 ( -5.625 0.000 -4.842) 7.423 9.236 ( -0.145 0.000 -0.452) 0.475 9.371 ( 5.135 0.000 8.586) 10.005 9.486 ( 3.397 0.000 -0.564) 3.443 9.810 ( 5.204 0.000 2.210) 5.654 10.160 ( 0.525 0.000 -4.853) 4.882 10.310 ( -3.551 0.000 -1.211) 3.752 10.554 ( 5.969 0.000 -5.253) 7.951 10.637 ( 4.804 0.000 2.131) 5.255 10.754 ( 5.874 0.000 4.151) 7.193 10.919 ( 10.351 0.000 0.053) 10.352 11.020 ( 1.691 0.000 -1.248) 2.102 11.209 ( 0.104 0.000 1.738) 1.741 11.542 ( -6.152 0.000 -2.450) 6.622 11.678 ( -4.564 0.000 -1.501) 4.805 19.256 ( -0.850 0.000 4.111) 4.198 19.286 ( 2.155 0.000 -4.325) 4.832 19.642 ( -9.513 0.000 5.660) 11.070 19.814 ( -11.474 0.000 -4.332) 12.264 20.415 ( 6.407 0.000 0.395) 6.419 20.425 ( 6.869 0.000 0.289) 6.875 20.718 ( 3.183 0.000 -2.662) 4.150 20.983 ( 2.241 0.000 3.231) 3.932 21.092 ( -4.120 0.000 3.529) 5.425 21.166 ( -6.238 0.000 -5.378) 8.236 21.392 ( 13.040 0.000 8.720) 15.687 21.820 ( 0.046 0.000 -0.342) 0.345 21.852 ( 1.344 0.000 -0.141) 1.352 21.903 ( 3.539 0.000 -4.788) 5.954 22.019 ( -3.686 0.000 0.725) 3.756 22.160 ( 3.002 0.000 -4.151) 5.122 ======================= Grid point 129 (60/92) ======================= q-point: ( 0.33 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( -12.428 0.000 -7.718) 14.630 1.198 ( 2.512 0.000 6.163) 6.655 1.424 ( 8.028 0.000 -8.442) 11.650 1.451 ( 10.240 0.000 -9.472) 13.949 1.669 ( 7.920 0.000 1.473) 8.056 1.775 ( -8.249 0.000 3.623) 9.010 1.859 ( -2.375 0.000 -6.399) 6.825 1.895 ( 2.528 0.000 0.132) 2.531 2.123 ( 1.625 0.000 5.149) 5.399 2.197 ( -4.515 0.000 1.665) 4.813 2.250 ( -3.516 0.000 -2.989) 4.615 2.404 ( -4.906 0.000 -2.982) 5.741 2.456 ( -3.767 0.000 0.570) 3.810 2.592 ( 1.102 0.000 4.737) 4.864 2.599 ( -3.203 0.000 -5.750) 6.582 2.787 ( 0.161 0.000 4.354) 4.357 2.820 ( 1.522 0.000 -2.297) 2.755 2.840 ( -8.154 0.000 -2.982) 8.683 2.898 ( 16.418 0.000 -9.719) 19.079 3.054 ( 4.221 0.000 -0.083) 4.222 3.073 ( -2.306 0.000 10.329) 10.583 3.221 ( -8.222 0.000 13.039) 15.415 3.543 ( -1.767 0.000 0.558) 1.853 3.827 ( -6.824 0.000 4.156) 7.990 3.833 ( 5.622 0.000 8.505) 10.195 3.879 ( -11.122 0.000 4.635) 12.050 3.914 ( 4.666 0.000 -10.304) 11.311 4.107 ( 4.677 0.000 -6.248) 7.805 4.118 ( 3.952 0.000 -2.237) 4.542 4.186 ( 7.526 0.000 4.995) 9.033 4.408 ( 0.051 0.000 4.022) 4.022 4.521 ( -1.001 0.000 -1.033) 1.439 4.769 ( -4.349 0.000 -1.271) 4.531 4.788 ( 3.302 0.000 -2.211) 3.974 4.827 ( 5.583 0.000 -1.356) 5.746 4.837 ( 7.340 0.000 -1.069) 7.418 4.921 ( 7.844 0.000 -0.287) 7.849 5.047 ( 7.125 0.000 -3.406) 7.897 5.124 ( -0.863 0.000 -0.881) 1.233 5.138 ( -5.693 0.000 4.435) 7.216 5.215 ( 3.482 0.000 -6.282) 7.183 5.325 ( 2.343 0.000 0.261) 2.357 5.491 ( 8.379 0.000 -5.275) 9.901 5.491 ( -1.627 0.000 3.634) 3.981 5.574 ( -6.183 0.000 3.785) 7.249 5.707 ( 4.347 0.000 0.940) 4.447 5.825 ( -0.624 0.000 0.680) 0.923 5.853 ( 2.139 0.000 1.264) 2.485 7.936 ( -0.183 0.000 -1.920) 1.929 8.228 ( -7.955 0.000 -3.691) 8.770 8.316 ( -2.726 0.000 8.447) 8.876 8.436 ( 1.054 0.000 3.319) 3.482 8.666 ( 1.142 0.000 0.335) 1.190 8.711 ( -4.679 0.000 -6.289) 7.839 9.300 ( 3.438 0.000 6.190) 7.081 9.519 ( 3.109 0.000 5.659) 6.457 9.544 ( 5.001 0.000 -3.066) 5.866 9.961 ( 5.558 0.000 3.230) 6.428 10.160 ( 2.326 0.000 -1.952) 3.037 10.171 ( -5.146 0.000 -8.268) 9.739 10.610 ( 7.558 0.000 -4.445) 8.769 10.707 ( 1.497 0.000 1.033) 1.819 10.807 ( -1.235 0.000 0.825) 1.485 11.062 ( 2.550 0.000 0.704) 2.646 11.125 ( 5.861 0.000 3.133) 6.646 11.243 ( 3.811 0.000 0.153) 3.814 11.441 ( -4.150 0.000 0.958) 4.260 11.560 ( -4.542 0.000 -4.493) 6.389 19.278 ( -1.203 0.000 3.918) 4.098 19.291 ( 2.880 0.000 -3.990) 4.921 19.539 ( -6.708 0.000 3.874) 7.747 19.617 ( -5.464 0.000 -3.564) 6.523 20.544 ( 7.305 0.000 -0.092) 7.306 20.568 ( 7.731 0.000 0.275) 7.736 20.747 ( 2.199 0.000 -1.062) 2.442 20.978 ( -3.078 0.000 -1.965) 3.651 21.018 ( -3.100 0.000 -3.464) 4.649 21.025 ( -6.361 0.000 2.791) 6.946 21.693 ( 6.675 0.000 9.606) 11.698 21.824 ( 1.087 0.000 -0.828) 1.366 21.888 ( 0.694 0.000 3.191) 3.266 21.901 ( 0.142 0.000 -1.863) 1.868 21.960 ( -3.049 0.000 0.867) 3.169 22.173 ( 3.985 0.000 -6.467) 7.596 ======================= Grid point 130 (61/92) ======================= q-point: ( 0.44 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( 15.866 0.000 15.441) 22.139 1.321 ( 1.750 0.000 5.577) 5.846 1.488 ( 4.822 0.000 -5.603) 7.392 1.516 ( 6.087 0.000 -6.799) 9.126 1.684 ( -6.056 0.000 4.869) 7.771 1.723 ( -2.296 0.000 -7.222) 7.578 1.828 ( 4.614 0.000 -1.837) 4.966 1.965 ( 0.540 0.000 0.923) 1.070 2.047 ( -4.065 0.000 -7.406) 8.449 2.105 ( -6.667 0.000 -0.393) 6.679 2.225 ( -1.509 0.000 4.169) 4.434 2.264 ( -3.604 0.000 -2.314) 4.283 2.444 ( 2.179 0.000 2.158) 3.066 2.531 ( -0.219 0.000 -0.566) 0.607 2.575 ( -7.372 0.000 -1.278) 7.482 2.678 ( -2.148 0.000 -2.421) 3.236 2.804 ( -1.259 0.000 0.135) 1.267 2.806 ( 1.945 0.000 -2.902) 3.494 3.096 ( 8.656 0.000 -4.066) 9.563 3.100 ( -7.169 0.000 8.165) 10.866 3.199 ( -8.002 0.000 15.272) 17.241 3.216 ( 14.554 0.000 -2.486) 14.765 3.495 ( -0.759 0.000 -0.528) 0.924 3.650 ( -7.840 0.000 -4.062) 8.829 3.812 ( -2.564 0.000 8.084) 8.480 3.948 ( -4.268 0.000 9.385) 10.310 3.977 ( 7.462 0.000 -7.086) 10.290 4.125 ( 4.538 0.000 -7.495) 8.762 4.166 ( 2.257 0.000 0.494) 2.310 4.278 ( 1.347 0.000 -2.148) 2.536 4.476 ( 5.331 0.000 -0.665) 5.372 4.491 ( -6.744 0.000 5.173) 8.499 4.688 ( -1.320 0.000 2.167) 2.538 4.820 ( 1.143 0.000 -1.912) 2.227 4.931 ( 6.911 0.000 -3.002) 7.534 4.940 ( 3.543 0.000 -1.457) 3.831 5.034 ( 3.884 0.000 0.813) 3.969 5.069 ( -4.071 0.000 3.311) 5.247 5.089 ( 0.844 0.000 -2.266) 2.418 5.112 ( 0.399 0.000 -0.937) 1.018 5.254 ( 7.315 0.000 -6.205) 9.593 5.331 ( -9.892 0.000 4.874) 11.028 5.463 ( -5.200 0.000 3.433) 6.231 5.465 ( 2.115 0.000 -5.199) 5.613 5.605 ( 6.390 0.000 -1.153) 6.493 5.721 ( -1.853 0.000 -1.691) 2.509 5.862 ( 0.533 0.000 4.533) 4.564 5.920 ( 2.933 0.000 -0.076) 2.933 7.950 ( 2.554 0.000 -0.071) 2.555 8.065 ( -5.722 0.000 -2.634) 6.299 8.361 ( -0.678 0.000 7.373) 7.404 8.486 ( -0.191 0.000 4.526) 4.530 8.600 ( 0.081 0.000 -6.453) 6.454 8.653 ( -1.112 0.000 -2.240) 2.501 9.445 ( 2.421 0.000 11.168) 11.427 9.581 ( -2.034 0.000 4.361) 4.812 9.616 ( 6.119 0.000 -3.936) 7.276 9.886 ( -5.536 0.000 -12.068) 13.277 10.147 ( 2.476 0.000 2.669) 3.641 10.187 ( 1.645 0.000 -0.494) 1.717 10.732 ( 1.227 0.000 -0.207) 1.245 10.736 ( 3.396 0.000 -1.078) 3.563 10.805 ( 6.674 0.000 -0.256) 6.679 10.998 ( -8.894 0.000 0.556) 8.911 11.249 ( 3.833 0.000 3.360) 5.098 11.346 ( 6.367 0.000 -2.368) 6.793 11.380 ( -5.315 0.000 3.138) 6.173 11.441 ( -2.567 0.000 -5.160) 5.763 19.279 ( -2.792 0.000 3.533) 4.503 19.316 ( 3.791 0.000 -3.655) 5.266 19.478 ( -3.085 0.000 2.785) 4.156 19.530 ( -1.264 0.000 -2.144) 2.488 20.664 ( 4.471 0.000 -0.171) 4.474 20.684 ( 3.959 0.000 -1.119) 4.114 20.794 ( 2.955 0.000 2.178) 3.671 20.897 ( -1.161 0.000 -1.287) 1.734 20.924 ( -6.196 0.000 1.694) 6.423 20.951 ( -2.243 0.000 -3.607) 4.247 21.816 ( 1.868 0.000 0.823) 2.041 21.838 ( 1.005 0.000 -1.173) 1.545 21.887 ( -3.755 0.000 4.506) 5.865 21.888 ( 0.139 0.000 -0.045) 0.146 21.975 ( -0.341 0.000 6.285) 6.294 22.177 ( 3.874 0.000 -7.883) 8.783 ======================= Grid point 131 (62/92) ======================= q-point: (-0.44 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( -15.907 0.000 -12.518) 20.242 1.304 ( 9.111 0.000 12.407) 15.392 1.447 ( -3.200 0.000 -4.801) 5.770 1.482 ( -4.745 0.000 -6.537) 8.078 1.644 ( 0.030 0.000 1.018) 1.018 1.771 ( 9.294 0.000 -3.569) 9.955 1.837 ( -4.945 0.000 -2.032) 5.346 1.856 ( 2.622 0.000 9.617) 9.968 2.014 ( -2.543 0.000 -3.251) 4.128 2.099 ( 7.262 0.000 0.238) 7.266 2.223 ( 0.269 0.000 1.435) 1.460 2.258 ( 1.256 0.000 1.072) 1.651 2.453 ( -3.519 0.000 -0.038) 3.520 2.527 ( 4.485 0.000 2.605) 5.187 2.590 ( -3.629 0.000 -4.109) 5.482 2.602 ( 3.232 0.000 5.336) 6.239 2.769 ( -2.528 0.000 0.172) 2.534 2.829 ( 2.706 0.000 -2.013) 3.373 2.990 ( -10.713 0.000 6.206) 12.381 3.172 ( -7.097 0.000 4.084) 8.188 3.207 ( 6.112 0.000 -2.198) 6.495 3.424 ( 12.354 0.000 -7.167) 14.283 3.515 ( -2.568 0.000 -2.573) 3.635 3.550 ( 4.250 0.000 4.595) 6.259 3.854 ( -3.590 0.000 5.099) 6.236 3.933 ( -4.398 0.000 11.660) 12.462 3.981 ( 2.353 0.000 -10.102) 10.372 4.139 ( 1.701 0.000 -8.926) 9.087 4.203 ( -3.392 0.000 -3.969) 5.221 4.207 ( -0.229 0.000 4.250) 4.256 4.419 ( -3.247 0.000 5.552) 6.431 4.571 ( 5.133 0.000 -1.147) 5.259 4.743 ( 0.285 0.000 5.559) 5.566 4.763 ( -3.339 0.000 -4.570) 5.659 4.922 ( -2.373 0.000 -1.859) 3.014 4.943 ( -1.768 0.000 -2.901) 3.397 5.028 ( -2.898 0.000 1.372) 3.206 5.063 ( -5.260 0.000 -0.087) 5.260 5.110 ( -0.001 0.000 -0.748) 0.748 5.122 ( 1.591 0.000 -0.406) 1.642 5.147 ( -6.532 0.000 3.431) 7.378 5.350 ( -5.413 0.000 5.782) 7.921 5.419 ( 10.838 0.000 -3.912) 11.522 5.529 ( 5.654 0.000 -3.030) 6.415 5.625 ( -6.031 0.000 -2.492) 6.525 5.687 ( 2.222 0.000 1.342) 2.596 5.893 ( -1.393 0.000 2.593) 2.944 5.930 ( -0.801 0.000 -2.186) 2.328 7.967 ( -2.692 0.000 -1.854) 3.269 8.027 ( 5.244 0.000 1.286) 5.399 8.446 ( 2.688 0.000 6.640) 7.164 8.496 ( 1.602 0.000 -4.310) 4.598 8.591 ( -2.441 0.000 -3.356) 4.149 8.602 ( 1.900 0.000 0.979) 2.138 9.528 ( -8.266 0.000 4.285) 9.310 9.595 ( 0.558 0.000 10.893) 10.907 9.677 ( -3.380 0.000 -11.564) 12.047 9.678 ( 3.574 0.000 0.504) 3.609 10.180 ( -0.737 0.000 0.284) 0.789 10.205 ( 1.486 0.000 -2.603) 2.997 10.730 ( -5.611 0.000 -0.146) 5.613 10.735 ( 0.095 0.000 -0.554) 0.562 10.817 ( -4.360 0.000 -1.752) 4.699 10.996 ( 8.936 0.000 0.725) 8.965 11.295 ( -6.185 0.000 2.941) 6.849 11.310 ( -4.730 0.000 -2.743) 5.467 11.343 ( 2.399 0.000 4.544) 5.138 11.449 ( 4.952 0.000 -4.068) 6.408 19.249 ( -3.600 0.000 3.157) 4.788 19.349 ( 3.017 0.000 -3.514) 4.632 19.479 ( -0.084 0.000 2.957) 2.959 19.527 ( 3.246 0.000 -2.012) 3.819 20.662 ( -4.193 0.000 0.869) 4.282 20.663 ( -5.084 0.000 -0.192) 5.088 20.856 ( -3.623 0.000 -4.000) 5.397 20.870 ( 0.547 0.000 1.706) 1.791 20.891 ( 2.948 0.000 2.241) 3.703 20.952 ( 7.020 0.000 -1.166) 7.116 21.805 ( -3.252 0.000 2.466) 4.081 21.826 ( -1.034 0.000 -0.504) 1.150 21.888 ( 0.364 0.000 0.127) 0.385 21.918 ( 2.852 0.000 -0.323) 2.870 22.018 ( -2.292 0.000 7.816) 8.145 22.153 ( 2.359 0.000 -9.547) 9.834 ======================= Grid point 132 (63/92) ======================= q-point: (-0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( -4.546 0.000 -9.099) 10.172 1.253 ( -14.051 0.000 4.763) 14.836 1.300 ( -9.073 0.000 1.991) 9.289 1.377 ( 0.502 0.000 -6.145) 6.165 1.689 ( -2.399 0.000 0.023) 2.399 1.785 ( 1.835 0.000 0.272) 1.855 1.859 ( 2.755 0.000 -5.120) 5.814 1.912 ( -2.495 0.000 1.402) 2.862 2.046 ( -0.354 0.000 8.165) 8.173 2.227 ( 5.094 0.000 -2.116) 5.516 2.291 ( 1.771 0.000 -3.932) 4.312 2.326 ( 6.187 0.000 5.055) 7.990 2.439 ( 4.051 0.000 2.370) 4.693 2.531 ( -1.019 0.000 0.301) 1.063 2.627 ( 0.458 0.000 1.356) 1.431 2.732 ( -5.008 0.000 5.762) 7.634 2.746 ( 8.987 0.000 5.584) 10.580 2.815 ( -8.576 0.000 -0.390) 8.584 2.857 ( 2.007 0.000 -2.339) 3.082 3.071 ( -3.563 0.000 -1.094) 3.727 3.233 ( 1.548 0.000 -5.892) 6.092 3.450 ( 0.244 0.000 -7.281) 7.285 3.562 ( 4.565 0.000 -1.862) 4.930 3.694 ( -0.134 0.000 10.164) 10.165 3.819 ( -0.624 0.000 4.944) 4.984 3.931 ( -9.545 0.000 -1.984) 9.749 3.974 ( 6.949 0.000 -5.462) 8.838 3.986 ( -2.011 0.000 6.373) 6.683 4.188 ( 3.646 0.000 -9.827) 10.481 4.237 ( -0.914 0.000 2.127) 2.315 4.453 ( 2.307 0.000 0.243) 2.320 4.557 ( -4.091 0.000 -4.625) 6.174 4.729 ( 2.482 0.000 2.733) 3.692 4.736 ( -5.077 0.000 2.102) 5.496 4.840 ( -6.149 0.000 -2.181) 6.524 4.844 ( -3.012 0.000 -1.979) 3.604 4.915 ( -10.515 0.000 -0.312) 10.519 4.985 ( -5.626 0.000 2.950) 6.353 5.050 ( -4.796 0.000 7.768) 9.129 5.105 ( 0.485 0.000 0.944) 1.061 5.216 ( 6.305 0.000 -2.883) 6.933 5.260 ( -6.978 0.000 5.005) 8.587 5.460 ( -8.296 0.000 -0.968) 8.352 5.567 ( 1.196 0.000 -2.898) 3.135 5.660 ( 12.536 0.000 -4.128) 13.198 5.713 ( -1.144 0.000 0.952) 1.488 5.859 ( -3.139 0.000 -2.584) 4.066 5.861 ( -2.037 0.000 0.022) 2.037 7.927 ( -0.182 0.000 -0.872) 0.891 8.167 ( 7.599 0.000 2.506) 8.001 8.480 ( 2.984 0.000 -7.797) 8.349 8.500 ( -4.114 0.000 -2.070) 4.605 8.594 ( 6.650 0.000 4.931) 8.278 8.646 ( 0.987 0.000 1.659) 1.930 9.371 ( -10.472 0.000 1.222) 10.543 9.557 ( -0.518 0.000 -6.281) 6.303 9.592 ( -3.478 0.000 -1.461) 3.772 9.839 ( 2.682 0.000 15.336) 15.569 10.140 ( -3.153 0.000 0.112) 3.155 10.155 ( -2.062 0.000 -7.848) 8.114 10.552 ( -8.598 0.000 2.351) 8.914 10.722 ( -1.475 0.000 -0.647) 1.611 10.836 ( 4.033 0.000 -2.342) 4.663 11.057 ( -4.193 0.000 1.117) 4.339 11.183 ( -6.318 0.000 -2.148) 6.673 11.227 ( -2.716 0.000 2.116) 3.443 11.475 ( 7.139 0.000 3.835) 8.104 11.476 ( 1.941 0.000 -3.134) 3.687 19.219 ( -2.906 0.000 3.314) 4.408 19.352 ( 1.240 0.000 -3.533) 3.744 19.533 ( 2.240 0.000 4.781) 5.280 19.609 ( 8.018 0.000 -3.221) 8.641 20.539 ( -7.413 0.000 0.313) 7.419 20.560 ( -7.553 0.000 1.033) 7.623 20.756 ( -3.555 0.000 -2.152) 4.156 20.927 ( 2.972 0.000 2.977) 4.207 20.963 ( 2.072 0.000 2.195) 3.018 21.076 ( 7.316 0.000 -2.309) 7.672 21.773 ( -3.891 0.000 4.633) 6.050 21.797 ( -1.226 0.000 -1.658) 2.062 21.882 ( -1.112 0.000 0.153) 1.123 21.973 ( 3.061 0.000 -0.462) 3.096 22.053 ( -0.858 0.000 5.523) 5.590 22.060 ( -1.006 0.000 -12.718) 12.758 ======================= Grid point 133 (64/92) ======================= q-point: (-0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( -5.512 0.000 13.404) 14.493 1.004 ( -19.317 0.000 10.617) 22.043 1.290 ( 0.575 0.000 9.413) 9.430 1.376 ( 6.798 0.000 -11.019) 12.947 1.617 ( -2.618 0.000 -1.859) 3.211 1.767 ( -11.512 0.000 1.859) 11.661 1.808 ( -2.039 0.000 4.485) 4.927 1.903 ( 0.474 0.000 3.071) 3.107 2.038 ( -2.293 0.000 4.369) 4.935 2.279 ( 1.320 0.000 -1.090) 1.712 2.326 ( 7.868 0.000 -0.147) 7.870 2.432 ( 1.640 0.000 0.899) 1.870 2.517 ( 1.967 0.000 -0.140) 1.972 2.565 ( 1.527 0.000 1.811) 2.369 2.606 ( -0.521 0.000 -1.639) 1.720 2.735 ( 6.780 0.000 1.697) 6.989 2.811 ( -2.938 0.000 -2.791) 4.053 2.814 ( 1.118 0.000 5.203) 5.321 2.941 ( 4.333 0.000 1.348) 4.538 3.016 ( -0.803 0.000 -2.628) 2.748 3.185 ( 0.437 0.000 -7.603) 7.616 3.359 ( -2.483 0.000 -3.518) 4.306 3.601 ( 2.657 0.000 -2.756) 3.828 3.696 ( -6.868 0.000 9.762) 11.935 3.741 ( -5.605 0.000 -4.779) 7.365 3.931 ( -2.627 0.000 10.878) 11.191 3.999 ( 3.309 0.000 -0.521) 3.350 4.079 ( -1.098 0.000 -6.826) 6.914 4.096 ( -9.988 0.000 -13.680) 16.939 4.192 ( 11.725 0.000 -5.362) 12.893 4.486 ( 2.200 0.000 -3.570) 4.193 4.502 ( 0.242 0.000 3.388) 3.397 4.652 ( -12.920 0.000 -0.141) 12.921 4.672 ( -3.568 0.000 5.495) 6.552 4.710 ( -7.293 0.000 0.460) 7.308 4.776 ( -2.086 0.000 -3.079) 3.719 4.832 ( 0.218 0.000 6.090) 6.094 4.888 ( -5.287 0.000 0.381) 5.301 5.101 ( -0.697 0.000 9.373) 9.399 5.129 ( 0.344 0.000 1.449) 1.489 5.203 ( -5.547 0.000 7.063) 8.981 5.294 ( 5.342 0.000 -4.374) 6.905 5.315 ( -5.675 0.000 -0.783) 5.729 5.516 ( -4.115 0.000 -1.669) 4.441 5.647 ( -2.379 0.000 -3.767) 4.456 5.668 ( -2.770 0.000 -5.325) 6.002 5.826 ( 0.195 0.000 0.836) 0.858 5.937 ( 9.062 0.000 -3.091) 9.575 7.947 ( 2.435 0.000 0.836) 2.574 8.321 ( 4.521 0.000 1.297) 4.704 8.398 ( -5.119 0.000 -0.838) 5.187 8.467 ( 4.537 0.000 -5.151) 6.864 8.656 ( -0.084 0.000 -2.381) 2.382 8.777 ( 7.439 0.000 4.487) 8.687 9.214 ( -7.017 0.000 2.002) 7.297 9.491 ( -4.411 0.000 -3.576) 5.679 9.517 ( 1.283 0.000 -3.937) 4.141 9.875 ( -7.061 0.000 -2.962) 7.657 10.092 ( -2.360 0.000 2.081) 3.146 10.158 ( 3.938 0.000 11.589) 12.240 10.495 ( -1.083 0.000 1.889) 2.178 10.658 ( -5.007 0.000 -0.072) 5.008 10.851 ( -0.508 0.000 -5.686) 5.709 10.914 ( -10.783 0.000 0.685) 10.804 11.042 ( -5.372 0.000 -2.706) 6.015 11.222 ( 0.146 0.000 0.422) 0.447 11.491 ( 1.696 0.000 1.931) 2.570 11.644 ( 7.267 0.000 1.761) 7.478 19.207 ( -2.163 0.000 3.694) 4.281 19.335 ( 0.987 0.000 -3.839) 3.964 19.686 ( 8.204 0.000 8.918) 12.117 19.744 ( 10.556 0.000 -4.810) 11.600 20.414 ( -6.227 0.000 0.393) 6.239 20.423 ( -7.405 0.000 0.614) 7.430 20.683 ( -3.903 0.000 0.681) 3.962 20.996 ( 1.152 0.000 1.033) 1.547 21.052 ( 4.601 0.000 6.157) 7.686 21.161 ( 4.832 0.000 -3.514) 5.974 21.673 ( -8.884 0.000 -16.519) 18.756 21.745 ( -5.583 0.000 7.014) 8.965 21.861 ( -0.813 0.000 -0.155) 0.828 21.874 ( -4.175 0.000 -4.765) 6.335 22.036 ( 3.405 0.000 -1.105) 3.580 22.091 ( 0.266 0.000 3.029) 3.041 ======================= Grid point 134 (65/92) ======================= q-point: (-0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( -11.564 0.000 18.071) 21.454 0.828 ( -13.111 0.000 18.484) 22.662 1.238 ( -6.157 0.000 -16.625) 17.728 1.320 ( -7.355 0.000 12.364) 14.387 1.550 ( -12.228 0.000 8.096) 14.665 1.678 ( 11.227 0.000 -3.015) 11.625 1.858 ( 1.164 0.000 9.190) 9.264 2.035 ( -2.945 0.000 0.791) 3.050 2.103 ( 10.824 0.000 6.681) 12.720 2.330 ( 2.085 0.000 6.532) 6.857 2.392 ( -3.645 0.000 -1.148) 3.821 2.511 ( 8.268 0.000 0.933) 8.320 2.587 ( 0.965 0.000 0.546) 1.109 2.591 ( -0.357 0.000 -0.575) 0.677 2.694 ( 15.561 0.000 -0.737) 15.578 2.760 ( -0.183 0.000 1.077) 1.092 2.827 ( -0.051 0.000 -2.640) 2.641 2.881 ( 2.695 0.000 -0.409) 2.725 2.916 ( -2.789 0.000 -6.964) 7.502 2.989 ( 0.699 0.000 -1.170) 1.363 3.091 ( 0.231 0.000 -10.626) 10.629 3.339 ( 0.517 0.000 -4.144) 4.176 3.431 ( -6.812 0.000 -10.772) 12.745 3.582 ( -22.432 0.000 -8.779) 24.089 3.690 ( -6.709 0.000 7.396) 9.986 3.767 ( 1.857 0.000 5.082) 5.411 3.954 ( -0.309 0.000 5.096) 5.105 3.963 ( -2.063 0.000 -5.352) 5.736 4.124 ( 5.580 0.000 1.328) 5.736 4.324 ( 7.729 0.000 -5.709) 9.609 4.424 ( -9.046 0.000 0.282) 9.050 4.434 ( -2.677 0.000 -4.634) 5.352 4.589 ( 2.356 0.000 2.123) 3.171 4.603 ( -7.199 0.000 5.427) 9.015 4.667 ( -2.422 0.000 -0.908) 2.587 4.739 ( -2.469 0.000 0.242) 2.481 4.828 ( 3.164 0.000 -2.242) 3.878 4.860 ( -3.662 0.000 8.436) 9.197 5.099 ( -8.940 0.000 4.471) 9.996 5.150 ( -1.989 0.000 3.216) 3.781 5.173 ( -1.442 0.000 0.522) 1.534 5.269 ( 0.340 0.000 1.921) 1.950 5.310 ( 2.185 0.000 -7.072) 7.402 5.419 ( -3.511 0.000 -0.897) 3.624 5.603 ( 0.341 0.000 -0.873) 0.937 5.663 ( 4.552 0.000 4.774) 6.596 5.827 ( -1.312 0.000 -0.900) 1.591 6.068 ( 10.141 0.000 -6.859) 12.243 8.035 ( 4.734 0.000 3.525) 5.902 8.308 ( -4.589 0.000 1.777) 4.921 8.325 ( -0.231 0.000 -2.621) 2.631 8.511 ( -2.216 0.000 -5.847) 6.252 8.655 ( 7.265 0.000 -0.112) 7.266 8.924 ( 3.559 0.000 2.647) 4.436 9.164 ( -3.579 0.000 5.871) 6.876 9.345 ( -5.611 0.000 -6.677) 8.721 9.535 ( 5.588 0.000 -4.032) 6.891 9.780 ( 0.327 0.000 -1.802) 1.832 10.117 ( 1.217 0.000 5.673) 5.802 10.279 ( -4.612 0.000 6.026) 7.588 10.505 ( 2.188 0.000 -2.474) 3.303 10.540 ( -6.519 0.000 -2.057) 6.836 10.645 ( -10.833 0.000 -7.754) 13.322 10.708 ( -11.289 0.000 0.943) 11.328 11.017 ( 3.214 0.000 2.410) 4.017 11.225 ( 0.331 0.000 -1.572) 1.607 11.607 ( 5.729 0.000 5.978) 8.280 11.758 ( 3.914 0.000 -0.145) 3.917 19.208 ( -1.837 0.000 4.015) 4.415 19.317 ( 1.368 0.000 -4.205) 4.421 19.904 ( 12.166 0.000 -5.010) 13.157 20.020 ( 16.886 0.000 6.585) 18.124 20.318 ( -4.565 0.000 -0.620) 4.607 20.319 ( -4.123 0.000 0.432) 4.145 20.615 ( -5.189 0.000 2.430) 5.730 20.931 ( -15.189 0.000 -11.574) 19.096 21.118 ( -9.342 0.000 -0.693) 9.367 21.187 ( 2.182 0.000 -4.168) 4.705 21.329 ( 7.661 0.000 3.705) 8.510 21.690 ( -8.390 0.000 7.621) 11.334 21.829 ( -0.740 0.000 0.391) 0.837 21.852 ( 0.412 0.000 -1.255) 1.321 22.084 ( 2.553 0.000 -0.497) 2.601 22.116 ( -0.097 0.000 1.429) 1.433 ======================= Grid point 135 (66/92) ======================= q-point: ( 0.00 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( -4.839 13.412 14.611) 20.415 1.082 ( -1.025 13.664 17.340) 22.101 1.118 ( 3.087 8.485 -11.078) 14.291 1.396 ( 1.774 11.626 -12.850) 17.420 1.734 ( -7.789 15.032 15.867) 23.203 1.877 ( 7.279 2.578 -3.685) 8.556 2.009 ( 0.093 2.309 4.962) 5.474 2.053 ( 8.516 3.653 4.423) 10.268 2.171 ( -0.892 -4.380 2.489) 5.116 2.225 ( -4.337 -3.909 -2.242) 6.254 2.505 ( 2.867 2.833 8.949) 9.815 2.581 ( -3.719 -1.458 0.558) 4.033 2.644 ( -3.363 1.009 0.205) 3.517 2.679 ( -1.853 0.719 3.120) 3.699 2.706 ( 1.872 0.954 -2.203) 3.044 2.776 ( -2.428 7.259 0.325) 7.661 2.812 ( -1.023 -1.381 -9.517) 9.671 2.859 ( 2.005 1.911 -6.021) 6.628 2.954 ( 0.868 8.186 6.091) 10.240 3.033 ( 0.765 1.333 -0.081) 1.539 3.090 ( 0.957 2.804 -5.435) 6.190 3.104 ( -5.294 1.942 -10.057) 11.530 3.337 ( 1.365 3.528 1.680) 4.139 3.385 ( 1.627 2.609 -2.927) 4.245 3.693 ( -3.055 0.799 8.826) 9.374 3.832 ( 1.146 2.271 -3.275) 4.147 3.969 ( -1.413 2.880 3.390) 4.667 4.053 ( 5.092 2.695 -2.867) 6.435 4.218 ( 4.371 -2.822 4.897) 7.145 4.305 ( -4.068 -0.416 1.935) 4.524 4.346 ( -3.412 0.474 -4.798) 5.906 4.392 ( 3.600 0.126 -5.205) 6.330 4.535 ( -3.380 -0.856 4.318) 5.550 4.586 ( 0.540 -1.626 -0.726) 1.861 4.648 ( -3.343 1.204 1.349) 3.801 4.706 ( 2.968 3.023 -2.850) 5.106 4.833 ( -5.104 -8.100 4.862) 10.738 4.884 ( -1.446 0.093 4.702) 4.920 4.916 ( 6.679 -4.393 -3.574) 8.757 4.956 ( 0.997 -10.345 -1.843) 10.556 5.143 ( -1.921 -1.326 4.590) 5.149 5.261 ( 0.015 -0.724 -6.655) 6.694 5.348 ( 2.746 1.455 4.013) 5.076 5.449 ( -0.396 3.005 -4.629) 5.533 5.710 ( 4.646 4.278 1.876) 6.588 5.749 ( -4.272 2.350 -2.249) 5.370 5.854 ( 0.237 0.638 12.481) 12.499 6.119 ( -0.076 -0.081 -13.940) 13.941 8.198 ( 3.748 1.596 4.454) 6.036 8.245 ( -2.177 -1.092 0.456) 2.478 8.347 ( 1.489 2.958 -0.157) 3.316 8.406 ( -4.489 5.246 -6.796) 9.688 8.799 ( 7.104 -3.899 3.931) 9.007 8.859 ( -6.277 -3.923 -2.072) 7.687 9.205 ( -1.955 4.659 6.113) 7.931 9.318 ( 3.096 6.623 -5.252) 9.001 9.665 ( -13.851 -0.796 2.476) 14.093 9.697 ( 7.961 3.302 -1.260) 8.710 9.921 ( 6.291 -14.796 7.073) 17.565 10.089 ( -4.255 -19.150 -9.113) 21.631 10.359 ( 2.989 -0.944 7.081) 7.743 10.461 ( -2.526 -1.996 -3.028) 4.419 10.552 ( 0.216 -1.224 2.434) 2.733 10.632 ( 0.130 -1.173 -6.038) 6.153 11.188 ( -0.122 8.296 6.940) 10.816 11.329 ( 0.531 9.555 -6.865) 11.777 11.683 ( 0.682 -4.520 3.098) 5.522 11.753 ( 0.092 -2.549 -3.622) 4.430 19.227 ( -1.567 1.113 4.277) 4.689 19.312 ( 1.485 0.822 -4.203) 4.533 20.034 ( -18.593 -5.269 4.558) 19.855 20.087 ( 11.731 -2.095 -1.661) 12.032 20.246 ( 6.484 -1.576 0.651) 6.704 20.255 ( -4.704 -0.529 -0.386) 4.750 20.396 ( 4.050 -8.108 7.392) 11.696 20.528 ( -2.021 -7.824 -6.070) 10.107 21.180 ( -1.546 6.057 4.163) 7.511 21.264 ( 1.864 6.852 -3.796) 8.052 21.502 ( -0.047 -2.883 8.260) 8.749 21.668 ( 1.227 -0.968 -8.284) 8.430 21.852 ( -0.601 1.512 0.336) 1.661 21.865 ( 0.946 1.190 -0.971) 1.804 22.207 ( -1.517 9.674 3.055) 10.257 22.307 ( 3.461 15.541 -8.441) 18.021 ======================= Grid point 136 (67/92) ======================= q-point: ( 0.11 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( 5.223 10.346 13.689) 17.936 1.156 ( 10.362 8.428 -10.979) 17.290 1.246 ( 2.267 8.721 7.109) 11.477 1.349 ( 7.659 12.504 -10.187) 17.855 1.699 ( -3.207 11.535 4.463) 12.777 1.968 ( 1.888 -0.519 -1.103) 2.247 1.992 ( -1.777 -0.404 -1.695) 2.488 2.093 ( 0.981 5.268 -4.549) 7.029 2.185 ( -0.441 -0.746 -8.811) 8.853 2.282 ( 2.678 -3.375 4.601) 6.303 2.473 ( -5.707 3.217 -1.057) 6.636 2.533 ( -6.641 2.908 0.411) 7.261 2.616 ( -1.026 4.722 7.601) 9.007 2.654 ( -7.789 -0.344 5.307) 9.431 2.694 ( -0.023 3.791 -5.722) 6.864 2.727 ( -0.375 2.016 -0.347) 2.080 2.792 ( 3.745 5.636 1.774) 6.995 2.837 ( 0.924 0.025 0.836) 1.246 2.927 ( -1.942 3.676 -1.779) 4.522 3.002 ( -1.345 9.119 6.293) 11.161 3.058 ( -0.389 6.576 -2.653) 7.102 3.095 ( 1.138 -2.364 3.924) 4.720 3.409 ( 8.703 -2.719 -0.581) 9.136 3.505 ( 8.187 1.158 -1.882) 8.480 3.740 ( -0.410 2.441 7.109) 7.527 3.800 ( -1.107 1.436 -2.799) 3.335 3.959 ( 0.046 -0.508 -0.134) 0.528 4.073 ( 1.401 0.656 -7.686) 7.840 4.225 ( -6.272 0.479 3.778) 7.337 4.239 ( -1.389 2.657 -5.157) 5.966 4.363 ( 1.840 1.464 3.753) 4.429 4.422 ( 6.817 -2.486 -1.144) 7.346 4.565 ( -0.292 -0.134 2.016) 2.042 4.599 ( 0.755 1.385 5.206) 5.440 4.656 ( 5.033 -4.621 -2.397) 7.240 4.763 ( 4.514 -0.804 -0.229) 4.591 4.812 ( -0.538 -1.278 0.081) 1.389 4.937 ( 2.521 -5.733 2.134) 6.616 4.984 ( 2.936 -1.132 -0.801) 3.247 5.055 ( 10.980 -9.660 -3.364) 15.006 5.188 ( 0.392 0.266 7.632) 7.646 5.204 ( -0.059 -0.823 -3.980) 4.065 5.378 ( 0.965 0.686 -6.032) 6.147 5.467 ( 4.629 3.266 1.109) 5.773 5.654 ( -2.948 4.342 -1.923) 5.590 5.807 ( 2.379 1.350 0.451) 2.772 5.878 ( -7.985 1.494 -2.415) 8.475 5.921 ( -6.605 1.124 2.768) 7.249 8.156 ( -4.414 1.208 -3.797) 5.946 8.287 ( -1.330 3.055 0.968) 3.470 8.332 ( 3.219 1.170 1.074) 3.590 8.431 ( 4.650 3.984 4.613) 7.667 8.698 ( -7.367 -0.234 -3.013) 7.962 8.995 ( 8.054 0.031 -0.576) 8.074 9.157 ( -8.488 0.244 6.364) 10.612 9.281 ( 1.129 -0.183 -5.876) 5.986 9.507 ( -5.610 4.257 4.427) 8.318 9.797 ( 1.715 3.903 1.317) 4.462 9.999 ( 4.403 -17.743 -7.494) 19.758 10.115 ( 4.490 -16.034 6.638) 17.925 10.420 ( 2.712 -3.896 -5.303) 7.117 10.522 ( 7.712 -0.661 5.056) 9.245 10.596 ( 3.674 1.553 -0.199) 3.994 10.660 ( 5.310 -6.265 -0.672) 8.240 11.221 ( -1.555 10.492 0.909) 10.646 11.289 ( 1.176 8.646 -1.189) 8.806 11.649 ( -5.588 -3.716 -1.268) 6.829 11.707 ( -2.165 -3.751 -0.097) 4.333 19.243 ( -1.255 1.014 4.207) 4.505 19.300 ( 1.567 0.680 -4.059) 4.404 19.789 ( -13.355 -0.566 6.099) 14.693 20.053 ( -12.864 -3.758 -2.266) 13.592 20.268 ( 7.018 -2.045 1.347) 7.433 20.320 ( 3.505 -0.344 -0.086) 3.523 20.568 ( 9.837 -7.426 -6.696) 14.027 20.640 ( 12.761 -7.433 6.171) 16.005 21.189 ( -2.163 6.376 4.146) 7.907 21.255 ( 1.819 4.969 -4.709) 7.083 21.425 ( -7.258 2.787 -0.070) 7.775 21.745 ( 6.999 -5.025 -0.804) 8.654 21.845 ( -0.363 1.578 0.109) 1.623 21.881 ( 2.090 0.633 -1.135) 2.461 22.185 ( -3.959 10.353 2.927) 11.464 22.264 ( -0.002 10.739 -6.064) 12.333 ======================= Grid point 137 (68/92) ======================= q-point: ( 0.22 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( 1.672 7.146 -8.309) 11.086 1.204 ( 0.748 9.807 2.162) 10.070 1.388 ( 14.224 9.013 -7.559) 18.457 1.405 ( 2.798 4.735 0.113) 5.501 1.716 ( -1.583 11.818 1.024) 11.967 1.900 ( 0.574 -2.186 -5.756) 6.184 1.932 ( -8.544 -0.715 -2.333) 8.885 2.037 ( -1.006 7.600 -4.217) 8.750 2.111 ( 2.250 6.292 -0.688) 6.718 2.264 ( -2.393 -2.790 0.706) 3.743 2.320 ( -9.543 1.426 0.353) 9.655 2.489 ( 1.263 3.731 0.667) 3.995 2.545 ( -2.499 2.848 -1.884) 4.232 2.631 ( -1.130 5.145 -1.295) 5.424 2.706 ( -0.951 0.477 3.449) 3.609 2.766 ( 2.858 3.660 1.604) 4.914 2.803 ( -0.296 11.261 -3.459) 11.785 2.890 ( 0.151 -1.386 -1.647) 2.158 2.902 ( 3.255 1.748 -0.142) 3.697 3.032 ( -0.213 4.018 2.604) 4.793 3.134 ( -0.507 10.494 7.855) 13.118 3.176 ( 0.662 -2.531 8.964) 9.338 3.508 ( 3.921 -0.556 -0.063) 3.960 3.647 ( 2.254 -5.813 1.527) 6.419 3.796 ( 0.877 1.089 6.600) 6.747 3.829 ( 6.824 -0.765 3.192) 7.572 3.991 ( -0.392 -1.342 -7.623) 7.750 4.001 ( 3.640 -4.119 -2.733) 6.140 4.107 ( -8.593 2.112 4.879) 10.105 4.210 ( 3.678 5.610 -7.049) 9.731 4.403 ( -1.812 1.478 5.009) 5.528 4.541 ( 0.903 0.495 -0.905) 1.371 4.603 ( 8.812 -4.506 0.286) 9.901 4.672 ( 2.113 -4.054 1.263) 4.743 4.733 ( 4.036 -2.817 -0.823) 4.990 4.814 ( 2.653 1.919 -2.538) 4.143 4.891 ( 9.176 1.712 -0.178) 9.336 4.994 ( 1.448 -7.264 0.533) 7.426 5.013 ( 2.284 3.998 -1.797) 4.943 5.178 ( -0.906 0.200 1.516) 1.777 5.214 ( 5.244 -8.875 -0.989) 10.356 5.272 ( 0.288 2.760 4.420) 5.219 5.380 ( 7.890 -0.326 -7.902) 11.172 5.534 ( -0.278 2.590 1.571) 3.042 5.591 ( -0.049 -0.893 -5.761) 5.830 5.654 ( -4.873 2.441 0.442) 5.468 5.857 ( -0.512 1.953 -0.137) 2.023 5.896 ( -2.350 3.676 6.235) 7.609 8.040 ( -3.267 3.916 -3.434) 6.148 8.291 ( -0.972 2.344 4.378) 5.060 8.411 ( 3.493 2.662 1.113) 4.531 8.483 ( -8.527 4.752 -1.569) 9.887 8.600 ( 2.966 0.543 3.625) 4.715 8.917 ( -9.170 4.126 -2.789) 10.435 9.149 ( 2.827 -5.492 -0.812) 6.230 9.366 ( 8.250 -6.660 -0.241) 10.606 9.497 ( -0.209 5.591 5.589) 7.908 9.868 ( 4.636 3.934 1.623) 6.293 10.023 ( 4.396 -11.255 -4.192) 12.790 10.200 ( 0.066 -10.794 2.406) 11.059 10.430 ( 3.924 -9.971 -7.091) 12.849 10.658 ( 0.485 -1.044 3.594) 3.774 10.674 ( 3.646 -6.791 -1.937) 7.948 10.796 ( 9.586 -4.726 1.793) 10.837 11.215 ( 2.606 11.854 -1.288) 12.205 11.319 ( 0.222 8.441 2.475) 8.799 11.521 ( -5.573 -1.695 -0.763) 5.875 11.644 ( -3.703 -3.022 -1.498) 5.009 19.262 ( -0.894 0.649 3.730) 3.891 19.292 ( 1.748 0.578 -3.658) 4.095 19.637 ( -9.201 -0.423 4.671) 10.327 19.792 ( -10.333 -2.145 -4.349) 11.415 20.378 ( 5.707 -2.102 -0.275) 6.088 20.446 ( 7.926 -0.028 2.006) 8.176 20.653 ( 5.794 -4.091 -4.927) 8.636 20.900 ( 6.353 -6.810 3.984) 10.129 21.162 ( -4.836 4.309 -0.935) 6.544 21.188 ( -3.654 4.079 -1.442) 5.663 21.425 ( 6.315 1.453 4.402) 7.834 21.835 ( 1.552 -0.345 1.613) 2.265 21.845 ( 1.448 0.598 -0.630) 1.689 21.922 ( 3.205 0.452 -1.174) 3.443 22.123 ( -5.319 9.834 2.414) 11.438 22.203 ( -0.466 5.574 -4.894) 7.433 ======================= Grid point 138 (69/92) ======================= q-point: ( 0.33 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( -7.016 16.124 -8.554) 19.555 1.261 ( 1.220 6.259 6.283) 8.952 1.435 ( 7.066 3.513 -7.239) 10.709 1.599 ( 7.570 10.513 -4.995) 13.885 1.680 ( 5.262 1.471 -1.012) 5.556 1.789 ( -6.676 2.016 2.642) 7.457 1.849 ( -1.526 -0.007 -5.780) 5.979 2.054 ( 2.424 11.636 1.113) 11.938 2.152 ( -2.432 2.161 4.566) 5.606 2.215 ( -2.885 0.557 -1.117) 3.143 2.240 ( 0.372 3.962 -0.221) 3.986 2.459 ( -4.144 -0.736 0.645) 4.258 2.494 ( -3.950 5.640 -2.133) 7.209 2.590 ( -2.981 1.389 -3.648) 4.911 2.661 ( -3.051 6.133 4.103) 7.985 2.785 ( 2.961 0.813 -0.282) 3.083 2.809 ( -2.368 -1.550 -0.120) 2.833 2.925 ( -1.300 7.473 -1.762) 7.787 2.969 ( 13.102 8.790 -9.158) 18.243 3.070 ( 1.361 2.023 2.638) 3.592 3.145 ( 0.222 7.043 5.752) 9.096 3.231 ( -5.390 0.952 11.269) 12.528 3.521 ( -1.274 -2.325 0.386) 2.679 3.774 ( -3.491 -3.761 1.903) 5.473 3.811 ( -6.452 -4.218 1.837) 7.924 3.828 ( 1.989 0.050 6.484) 6.783 3.963 ( 1.522 2.414 -1.636) 3.290 4.015 ( 2.247 -4.610 -3.704) 6.326 4.147 ( 6.913 -1.632 0.460) 7.118 4.257 ( 5.963 6.771 -2.535) 9.372 4.411 ( -0.646 -0.057 3.233) 3.297 4.532 ( -0.735 2.326 -1.781) 3.021 4.665 ( -0.445 -5.705 0.580) 5.751 4.780 ( 3.608 -0.826 0.976) 3.828 4.810 ( 6.664 -3.037 -0.812) 7.369 4.862 ( 5.153 1.181 -2.568) 5.878 4.990 ( 2.602 -2.294 -2.499) 4.275 5.035 ( 3.213 5.724 -0.652) 6.596 5.097 ( 7.768 -1.952 -0.210) 8.012 5.164 ( -1.981 0.960 0.779) 2.335 5.216 ( 0.083 -0.031 -2.207) 2.209 5.297 ( 0.258 -2.428 -0.492) 2.491 5.450 ( 2.703 -0.819 -3.652) 4.617 5.502 ( 0.515 -0.794 1.208) 1.535 5.602 ( -4.866 -0.003 5.126) 7.068 5.691 ( 8.283 0.163 0.435) 8.296 5.820 ( -2.143 0.467 -1.956) 2.939 5.925 ( 0.684 4.737 1.956) 5.170 7.982 ( -0.655 4.410 -1.077) 4.586 8.273 ( -8.254 4.534 -3.622) 10.090 8.329 ( -1.835 1.439 6.387) 6.799 8.482 ( 1.816 4.705 3.215) 5.981 8.661 ( -1.333 0.355 0.271) 1.406 8.744 ( -4.464 2.196 -2.543) 5.587 9.228 ( 5.071 -5.029 1.552) 7.309 9.464 ( 4.480 -6.727 -2.178) 8.371 9.614 ( 3.714 7.102 6.631) 10.402 9.978 ( 4.868 -4.007 1.895) 6.583 10.068 ( 1.875 -0.766 -3.098) 3.702 10.177 ( -0.242 -3.095 -4.017) 5.077 10.452 ( 6.675 -14.006 -4.766) 16.231 10.633 ( -2.994 -9.912 1.396) 10.448 10.716 ( 1.523 -4.497 -1.299) 4.923 10.952 ( 3.146 -6.134 2.104) 7.207 11.268 ( 2.158 8.748 1.239) 9.095 11.344 ( 2.463 6.006 -0.912) 6.555 11.458 ( -3.321 2.586 3.603) 5.540 11.555 ( -2.193 -0.277 -4.540) 5.049 19.280 ( -0.879 0.220 3.001) 3.135 19.295 ( 2.092 0.350 -2.937) 3.623 19.533 ( -6.099 -0.475 3.049) 6.835 19.612 ( -5.161 -0.649 -3.230) 6.123 20.493 ( 6.797 -2.650 -0.208) 7.298 20.624 ( 8.519 1.982 2.657) 9.141 20.694 ( 3.304 -2.687 -3.742) 5.669 20.953 ( -1.429 -2.806 0.906) 3.276 21.024 ( -5.943 2.393 -2.268) 6.796 21.127 ( -3.565 7.580 -0.702) 8.405 21.628 ( 7.081 -5.755 6.632) 11.280 21.854 ( 1.329 2.643 -0.310) 2.975 21.879 ( 0.753 0.968 0.517) 1.331 21.957 ( 0.514 0.789 0.387) 1.018 22.047 ( -5.163 8.845 2.830) 10.626 22.161 ( 1.524 0.325 -5.547) 5.762 ======================= Grid point 139 (70/92) ======================= q-point: ( 0.44 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( 13.474 14.949 9.417) 22.219 1.371 ( 1.626 5.042 5.613) 7.718 1.510 ( 5.138 3.326 -1.933) 6.418 1.604 ( -0.276 4.735 -2.406) 5.318 1.724 ( -1.032 0.876 -4.833) 5.019 1.736 ( -2.827 5.098 -1.372) 5.988 1.804 ( 3.182 -0.180 -2.864) 4.285 2.008 ( -9.678 -0.197 -3.230) 10.204 2.111 ( -2.626 2.782 0.676) 3.885 2.147 ( 1.368 8.871 -2.759) 9.390 2.275 ( 0.703 6.735 1.425) 6.920 2.370 ( -3.249 5.902 -3.126) 7.427 2.449 ( 1.278 2.076 1.085) 2.668 2.487 ( -3.988 -1.221 -0.950) 4.278 2.659 ( -1.045 6.831 2.443) 7.329 2.775 ( -0.788 8.482 -1.202) 8.603 2.813 ( -2.002 1.239 0.865) 2.508 2.861 ( 0.416 5.499 -2.573) 6.085 3.095 ( -3.628 1.952 5.392) 6.785 3.111 ( 7.744 2.154 -2.705) 8.481 3.237 ( -6.296 3.586 12.110) 14.112 3.301 ( 10.615 7.032 -1.695) 12.845 3.474 ( -0.446 -2.211 -0.796) 2.392 3.612 ( -7.951 -2.924 -2.907) 8.957 3.776 ( -1.214 -3.171 8.338) 9.003 3.938 ( -3.798 -0.688 7.605) 8.529 3.992 ( 3.167 -0.640 -4.440) 5.491 4.036 ( 6.298 -4.064 -6.897) 10.186 4.230 ( 2.624 2.672 -0.105) 3.747 4.321 ( 1.681 4.110 -1.939) 4.845 4.439 ( -3.936 -3.158 3.309) 6.034 4.480 ( 1.856 0.910 -2.247) 3.053 4.684 ( 1.478 -0.940 2.636) 3.165 4.813 ( 0.466 -1.524 -2.267) 2.771 4.905 ( 3.526 -1.174 0.955) 3.837 4.932 ( 2.605 0.267 0.449) 2.657 5.006 ( 1.544 -3.765 -1.557) 4.357 5.086 ( -4.330 0.807 -2.724) 5.179 5.118 ( 5.327 3.774 0.201) 6.532 5.190 ( -0.784 4.089 -1.592) 4.458 5.230 ( 5.795 -0.786 -1.124) 5.955 5.322 ( -2.670 -2.504 1.824) 4.090 5.385 ( -1.696 -2.179 1.444) 3.116 5.507 ( -3.294 0.366 -1.296) 3.558 5.604 ( 3.784 -0.355 0.634) 3.853 5.740 ( -3.326 0.160 -3.083) 4.538 5.855 ( 6.404 0.658 1.960) 6.730 5.943 ( -0.977 1.897 0.935) 2.330 7.992 ( 1.925 4.040 0.581) 4.513 8.108 ( -5.563 4.161 -2.609) 7.421 8.375 ( 0.098 1.721 6.033) 6.274 8.524 ( -1.176 3.013 1.159) 3.435 8.595 ( -0.678 1.507 -0.343) 1.687 8.701 ( -0.401 3.564 -2.579) 4.418 9.338 ( 2.399 -6.686 5.311) 8.869 9.507 ( 3.173 -8.256 -4.680) 10.006 9.706 ( -0.993 8.316 7.256) 11.081 9.965 ( -1.990 4.029 -9.496) 10.506 10.087 ( 3.311 -3.817 1.827) 5.373 10.171 ( 0.624 -2.707 -1.061) 2.974 10.571 ( 6.256 -14.578 -1.448) 15.929 10.604 ( -1.527 -10.816 1.041) 10.973 10.743 ( 4.743 -6.797 0.323) 8.295 10.922 ( -6.592 -6.596 -0.440) 9.335 11.315 ( 1.180 5.145 2.322) 5.767 11.381 ( 0.199 2.050 -1.079) 2.325 11.441 ( -1.160 6.169 2.573) 6.784 11.496 ( 0.894 4.548 -4.308) 6.328 19.280 ( -2.625 0.121 3.279) 4.202 19.314 ( 3.183 -0.198 -3.147) 4.481 19.478 ( -2.544 -0.028 2.292) 3.424 19.528 ( -1.231 -0.256 -2.136) 2.479 20.607 ( 4.716 -3.021 0.369) 5.613 20.695 ( -0.098 -1.813 -2.753) 3.298 20.805 ( 7.688 2.374 3.111) 8.627 20.909 ( -3.621 -0.375 1.142) 3.816 20.926 ( -2.345 2.499 -0.509) 3.465 21.035 ( -3.943 7.107 -3.572) 8.878 21.784 ( 3.700 -5.785 4.807) 8.382 21.868 ( -0.951 2.485 0.307) 2.679 21.888 ( 1.425 4.383 -0.486) 4.634 21.933 ( -2.656 1.069 -0.345) 2.883 22.013 ( -2.635 4.655 4.967) 7.299 22.147 ( 3.215 -2.156 -6.713) 7.749 ======================= Grid point 140 (71/92) ======================= q-point: (-0.44 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( -15.198 7.157 -8.896) 19.009 1.394 ( 8.958 7.210 8.750) 14.450 1.501 ( -4.807 5.001 -3.189) 7.635 1.559 ( -2.220 6.670 -4.816) 8.521 1.659 ( -0.913 1.413 0.483) 1.750 1.773 ( -5.944 -1.301 1.288) 6.220 1.796 ( 10.165 1.128 -1.767) 10.379 1.933 ( 9.314 3.019 2.268) 10.050 2.099 ( -0.813 6.998 0.601) 7.071 2.137 ( 1.048 5.270 -2.317) 5.852 2.280 ( -1.081 4.172 1.916) 4.716 2.336 ( 0.530 6.429 -0.166) 6.453 2.449 ( -1.217 1.181 0.225) 1.710 2.487 ( 2.266 0.254 -0.065) 2.281 2.684 ( -1.526 8.086 3.326) 8.875 2.724 ( 0.528 9.282 -0.426) 9.307 2.783 ( -3.043 2.407 2.699) 4.727 2.895 ( 4.862 5.574 -3.523) 8.193 3.017 ( -9.703 4.473 5.296) 11.925 3.170 ( -2.737 0.617 0.370) 2.830 3.233 ( -0.358 2.692 2.265) 3.536 3.455 ( 8.590 1.056 -4.907) 9.949 3.485 ( -0.117 -0.929 -2.704) 2.862 3.551 ( 5.677 -0.073 1.595) 5.897 3.853 ( -1.342 -1.021 6.886) 7.089 3.879 ( -7.671 -3.963 7.284) 11.297 3.963 ( 1.616 -2.110 -8.012) 8.442 4.091 ( 4.990 -3.243 -6.688) 8.953 4.237 ( -6.067 3.430 -0.694) 7.004 4.272 ( -0.341 5.017 1.956) 5.396 4.405 ( -1.469 -0.737 4.634) 4.916 4.529 ( 3.392 -3.145 -3.575) 5.846 4.737 ( -2.590 -0.790 0.141) 2.711 4.759 ( -0.023 -0.680 0.286) 0.739 4.927 ( -3.456 -0.591 0.497) 3.541 4.939 ( -3.234 0.684 -1.228) 3.526 4.980 ( -1.948 -3.316 0.739) 3.916 5.043 ( 1.645 -2.462 0.519) 3.006 5.125 ( -5.614 3.540 0.081) 6.637 5.157 ( -2.647 1.374 1.088) 3.174 5.203 ( -2.586 3.766 0.264) 4.576 5.368 ( -6.210 0.526 1.134) 6.334 5.406 ( 11.263 -0.620 -2.457) 11.544 5.505 ( 5.988 -2.041 -2.161) 6.685 5.608 ( -4.918 -1.776 1.886) 5.559 5.716 ( 4.011 1.338 -1.753) 4.577 5.867 ( -6.264 -0.952 0.765) 6.382 5.961 ( 2.373 2.219 -0.789) 3.344 8.016 ( -2.247 4.684 -1.900) 5.531 8.066 ( 4.939 3.778 1.764) 6.464 8.447 ( 0.762 0.526 3.233) 3.363 8.502 ( 3.508 0.720 -3.005) 4.675 8.611 ( -2.210 3.763 3.214) 5.420 8.671 ( 1.219 5.042 -2.710) 5.853 9.378 ( -5.025 -8.275 4.354) 10.615 9.484 ( 1.056 -9.812 -5.087) 11.102 9.758 ( -1.788 9.173 10.450) 14.019 9.849 ( -1.545 7.921 -7.129) 10.768 10.122 ( -2.715 -5.910 -0.396) 6.516 10.168 ( 2.483 -4.035 -1.486) 4.966 10.555 ( -5.865 -13.567 0.339) 14.784 10.628 ( 2.554 -11.364 -1.355) 11.726 10.766 ( -5.668 -4.443 -2.084) 7.497 10.904 ( 8.093 -8.597 1.274) 11.875 11.315 ( -4.400 3.186 2.089) 5.820 11.376 ( 1.659 3.125 0.841) 3.636 11.415 ( -3.760 6.680 1.677) 7.846 11.514 ( 3.819 5.394 -3.745) 7.596 19.252 ( -3.365 0.348 3.007) 4.526 19.341 ( 2.464 -0.732 -2.720) 3.742 19.481 ( 0.246 0.195 2.185) 2.207 19.524 ( 3.157 -0.294 -2.005) 3.752 20.622 ( -5.438 -2.289 -1.064) 5.995 20.650 ( -1.497 -2.167 1.822) 3.202 20.852 ( -5.082 0.961 -1.266) 5.325 20.914 ( -0.617 2.407 0.992) 2.676 20.935 ( 3.642 1.887 -1.235) 4.284 20.987 ( 5.937 5.983 0.311) 8.434 21.809 ( -4.720 -1.426 2.363) 5.468 21.872 ( -2.667 0.722 0.584) 2.824 21.885 ( 2.365 2.004 -0.643) 3.166 21.922 ( 1.439 0.954 0.634) 1.840 22.028 ( -0.807 2.290 4.550) 5.157 22.145 ( 4.038 0.131 -7.463) 8.487 ======================= Grid point 141 (72/92) ======================= q-point: (-0.33 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( -5.524 11.963 -3.989) 13.767 1.303 ( -13.734 6.240 5.042) 15.905 1.387 ( -1.891 5.287 -6.338) 8.467 1.526 ( -2.595 13.677 1.003) 13.957 1.671 ( -1.087 -0.994 0.382) 1.522 1.782 ( 2.229 1.082 0.686) 2.571 1.869 ( 3.355 1.367 -5.255) 6.383 2.076 ( -2.907 11.908 4.527) 13.067 2.110 ( 1.855 6.613 1.017) 6.944 2.214 ( 5.811 -1.699 -0.915) 6.123 2.296 ( 0.567 3.233 -3.672) 4.926 2.401 ( 2.234 4.304 6.896) 8.430 2.448 ( 5.529 1.263 2.214) 6.088 2.535 ( 0.844 1.511 1.088) 2.044 2.672 ( 0.637 2.386 1.709) 3.003 2.767 ( -1.235 3.597 2.813) 4.730 2.806 ( 3.459 4.332 1.001) 5.633 2.842 ( -11.624 6.746 2.811) 13.731 2.935 ( 2.731 7.950 -2.789) 8.857 3.095 ( -2.937 2.466 0.315) 3.848 3.223 ( 0.328 0.121 -2.939) 2.960 3.433 ( -0.491 -2.768 -5.543) 6.216 3.560 ( 2.782 -0.144 -3.787) 4.702 3.696 ( 2.877 -1.255 6.117) 6.876 3.772 ( -4.940 -0.609 5.032) 7.078 3.902 ( 0.327 -3.086 0.890) 3.229 3.948 ( 2.798 -0.693 -2.525) 3.832 4.047 ( -1.871 1.951 -1.240) 2.974 4.170 ( 0.229 -0.747 -4.675) 4.739 4.256 ( -3.386 1.552 -0.475) 3.754 4.445 ( 1.641 -1.104 0.713) 2.103 4.510 ( -1.520 -0.543 -1.139) 1.976 4.674 ( -1.018 -4.565 -0.501) 4.704 4.775 ( -1.252 2.780 1.605) 3.446 4.815 ( -8.141 -3.085 -1.140) 8.780 4.839 ( -5.372 0.057 -0.598) 5.406 4.942 ( -5.339 -2.589 1.892) 6.228 5.005 ( -7.024 3.669 5.293) 9.529 5.041 ( -4.366 2.213 1.155) 5.029 5.155 ( 1.410 2.771 0.172) 3.114 5.189 ( 0.507 -1.701 1.534) 2.346 5.291 ( -1.350 2.165 0.005) 2.551 5.411 ( -6.921 -3.413 -1.385) 7.840 5.566 ( 1.734 -1.063 -1.863) 2.758 5.684 ( 7.322 1.139 -2.065) 7.692 5.720 ( -4.390 -2.265 -2.525) 5.548 5.776 ( 1.644 -0.580 1.231) 2.134 5.960 ( -0.111 4.771 -1.407) 4.976 7.982 ( 0.095 5.302 -1.036) 5.403 8.210 ( 7.906 4.288 2.867) 9.440 8.430 ( -0.584 -2.053 -3.600) 4.185 8.547 ( -1.741 2.591 -2.016) 3.716 8.651 ( 7.949 5.495 2.028) 9.874 8.686 ( 0.384 3.610 0.966) 3.757 9.254 ( -8.642 -8.495 0.182) 12.119 9.458 ( -0.878 -7.699 -2.107) 8.030 9.720 ( -4.905 8.243 -4.024) 10.402 9.887 ( 0.904 2.056 12.582) 12.781 10.029 ( -4.895 -6.338 -1.838) 8.216 10.176 ( -0.615 -0.698 -4.394) 4.491 10.398 ( -8.376 -13.637 1.683) 16.092 10.652 ( 1.670 -14.294 -1.051) 14.429 10.716 ( -0.124 -1.507 -1.030) 1.830 10.975 ( -2.424 -6.749 -0.013) 7.171 11.260 ( -3.312 5.610 2.241) 6.889 11.335 ( -3.719 6.684 -0.244) 7.653 11.469 ( 4.748 -0.430 3.662) 6.012 11.537 ( 3.168 5.925 -4.182) 7.914 19.224 ( -2.751 0.603 3.224) 4.281 19.347 ( 1.148 -0.584 -2.711) 3.001 19.528 ( 2.200 -0.324 3.536) 4.178 19.604 ( 7.633 -0.593 -2.766) 8.141 20.494 ( -7.054 -2.261 -0.311) 7.414 20.606 ( -6.046 1.154 3.517) 7.089 20.699 ( -6.950 -2.210 -3.506) 8.092 20.942 ( 1.204 -1.102 1.755) 2.397 21.002 ( 4.104 3.862 0.159) 5.637 21.114 ( 5.814 4.625 0.336) 7.437 21.708 ( -7.179 -5.336 -0.584) 8.964 21.838 ( -1.577 2.080 1.049) 2.813 21.886 ( -0.927 2.110 -0.413) 2.341 21.956 ( 0.167 -3.361 0.707) 3.439 22.073 ( 1.552 3.705 2.909) 4.960 22.158 ( 5.934 8.310 -7.883) 12.900 ======================= Grid point 142 (73/92) ======================= q-point: (-0.22 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( -5.778 11.740 11.962) 17.728 1.112 ( -15.970 9.768 11.555) 22.000 1.361 ( 5.235 5.131 -3.435) 8.094 1.505 ( 0.667 10.893 -6.198) 12.550 1.669 ( -0.156 8.171 3.923) 9.065 1.790 ( -2.239 -0.753 3.957) 4.609 1.898 ( 3.220 2.270 0.304) 3.952 1.978 ( -9.964 14.006 1.410) 17.247 2.112 ( -3.571 6.986 3.432) 8.564 2.261 ( 1.879 -0.707 -2.348) 3.089 2.312 ( 6.041 -1.009 0.895) 6.189 2.451 ( -1.952 2.185 3.227) 4.359 2.539 ( 2.938 0.848 -0.716) 3.141 2.598 ( 1.997 3.718 1.046) 4.348 2.730 ( -0.557 6.412 2.856) 7.041 2.748 ( -0.043 -1.367 0.272) 1.394 2.763 ( 5.769 6.716 2.223) 9.128 2.882 ( -1.209 -1.176 0.230) 1.702 2.920 ( 1.180 5.266 -3.179) 6.263 3.085 ( 0.787 2.197 -0.604) 2.411 3.218 ( 1.076 6.584 -2.610) 7.164 3.341 ( -3.017 -2.247 -5.146) 6.375 3.555 ( 1.907 -4.264 1.656) 4.956 3.654 ( -6.532 -3.903 -3.743) 8.480 3.789 ( -2.794 6.657 7.470) 10.389 3.883 ( -11.221 -7.846 -0.804) 13.715 3.955 ( 4.788 -3.457 -2.943) 6.599 4.026 ( -2.952 0.992 -4.505) 5.477 4.139 ( -3.280 2.627 -2.299) 4.790 4.194 ( 9.331 -0.458 -4.429) 10.339 4.472 ( 1.710 -1.872 1.292) 2.846 4.502 ( -0.674 1.251 -0.726) 1.596 4.609 ( -10.558 -4.005 -0.635) 11.310 4.666 ( -2.664 -2.870 2.495) 4.643 4.730 ( -4.833 1.251 -0.885) 5.070 4.778 ( 0.464 3.835 1.653) 4.201 4.852 ( -6.304 0.748 2.307) 6.755 4.939 ( -4.448 0.238 3.447) 5.633 4.989 ( -3.633 -2.039 2.622) 4.923 5.177 ( -1.178 1.304 1.886) 2.578 5.207 ( -3.329 0.108 6.004) 6.866 5.248 ( -6.879 -5.968 -2.847) 9.542 5.329 ( 3.940 2.365 -0.631) 4.639 5.534 ( -4.151 1.334 0.992) 4.471 5.572 ( -1.929 -4.030 -3.751) 5.834 5.748 ( 1.430 2.157 -6.447) 6.947 5.816 ( -0.047 2.578 2.429) 3.542 6.020 ( 9.527 3.837 -4.803) 11.339 8.001 ( 2.319 5.276 0.553) 5.790 8.342 ( -0.519 1.315 -1.244) 1.883 8.402 ( 1.098 2.283 2.269) 3.401 8.506 ( 3.133 2.943 -3.380) 5.468 8.671 ( -0.781 1.167 -2.970) 3.285 8.845 ( 8.144 6.860 3.753) 11.290 9.117 ( -6.037 -7.974 2.242) 10.249 9.398 ( -3.142 -8.278 -3.251) 9.432 9.596 ( -2.511 5.241 -4.368) 7.270 9.913 ( -3.871 -3.597 -2.176) 5.714 9.955 ( -7.030 -2.613 3.925) 8.465 10.143 ( 1.480 -3.686 6.701) 7.790 10.339 ( -1.867 -12.317 1.290) 12.524 10.635 ( -4.192 -6.823 1.594) 8.165 10.724 ( 2.684 -6.599 -2.868) 7.680 10.835 ( -10.321 -4.138 -1.595) 11.233 11.192 ( -5.812 10.824 0.557) 12.298 11.320 ( 1.006 4.133 2.890) 5.143 11.544 ( 3.463 3.880 -3.504) 6.271 11.622 ( 7.087 -0.312 0.763) 7.135 19.214 ( -2.057 0.780 3.665) 4.275 19.338 ( 1.118 0.125 -3.274) 3.462 19.655 ( 6.762 -2.362 6.984) 10.004 19.740 ( 10.182 -0.809 -3.350) 10.749 20.371 ( -5.839 -2.022 0.305) 6.187 20.479 ( -8.409 3.201 -0.470) 9.010 20.570 ( -7.151 -7.973 2.402) 10.977 20.949 ( -2.607 -6.473 -0.655) 7.009 21.095 ( 4.319 4.259 3.340) 6.924 21.189 ( 1.913 4.283 -0.300) 4.700 21.531 ( -8.585 -5.009 -4.277) 10.821 21.831 ( -0.470 1.085 0.668) 1.358 21.859 ( -1.487 1.023 -0.358) 1.840 21.924 ( -2.535 -0.647 -1.659) 3.098 22.133 ( 1.939 5.804 2.364) 6.560 22.217 ( 8.469 15.733 -8.032) 19.590 ======================= Grid point 143 (74/92) ======================= q-point: (-0.11 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( -10.042 11.056 15.059) 21.209 0.989 ( -9.872 13.013 17.620) 24.026 1.314 ( -7.219 7.388 -13.937) 17.347 1.438 ( 2.380 6.974 -1.887) 7.607 1.701 ( -7.562 15.399 16.923) 24.097 1.808 ( -0.974 11.288 -2.188) 11.539 1.860 ( 3.160 4.418 6.917) 8.795 2.040 ( 1.858 -1.664 -0.011) 2.494 2.100 ( 3.148 0.850 2.845) 4.327 2.298 ( 0.653 -4.762 1.054) 4.921 2.384 ( -1.024 2.894 5.929) 6.676 2.543 ( 7.493 2.990 0.478) 8.082 2.633 ( 2.567 0.785 1.213) 2.946 2.643 ( 7.035 -2.230 1.841) 7.606 2.704 ( -0.298 3.983 -0.925) 4.100 2.786 ( 0.487 3.920 0.976) 4.069 2.826 ( -1.018 0.730 -1.295) 1.802 2.884 ( 2.896 6.044 -1.298) 6.826 2.909 ( -0.403 -1.627 -3.432) 3.819 3.077 ( -0.539 6.200 -3.308) 7.048 3.131 ( -1.511 3.743 -5.752) 7.027 3.299 ( -0.188 -1.472 -8.721) 8.847 3.430 ( -6.367 0.883 -7.328) 9.748 3.510 ( -15.651 -2.316 -3.393) 16.181 3.663 ( -2.697 -3.338 8.406) 9.438 3.822 ( 0.174 5.914 3.261) 6.756 3.959 ( -0.204 -0.916 -1.094) 1.441 4.000 ( 1.239 2.555 -0.202) 2.847 4.116 ( 1.599 0.179 2.966) 3.375 4.322 ( 7.164 -0.360 -4.084) 8.254 4.395 ( -7.259 -1.783 0.062) 7.475 4.472 ( -3.544 0.250 -3.840) 5.231 4.540 ( 1.655 -3.797 4.220) 5.913 4.613 ( -5.751 0.487 2.287) 6.208 4.672 ( -0.171 1.600 -1.893) 2.484 4.750 ( -4.805 1.468 -0.793) 5.087 4.825 ( 3.608 1.103 -1.726) 4.149 4.909 ( -4.672 3.523 5.923) 8.326 4.943 ( -4.047 -9.806 2.833) 10.980 5.026 ( -10.237 -10.449 -0.783) 14.649 5.163 ( -3.350 -1.170 1.895) 4.023 5.249 ( 1.137 -0.839 4.192) 4.424 5.346 ( 0.669 1.016 -6.060) 6.180 5.489 ( -1.542 3.841 -0.011) 4.139 5.606 ( 3.717 0.391 5.031) 6.267 5.731 ( 2.774 4.536 -0.430) 5.334 5.819 ( -1.731 1.250 0.415) 2.176 6.138 ( 10.217 1.974 -11.043) 15.173 8.079 ( 4.153 4.255 2.873) 6.604 8.288 ( -3.064 -0.441 0.919) 3.230 8.367 ( -2.283 2.534 -1.783) 3.849 8.549 ( -2.232 3.727 -5.842) 7.280 8.657 ( 5.490 -0.316 0.122) 5.500 8.956 ( -1.719 1.859 2.667) 3.677 9.125 ( 1.189 -3.771 7.608) 8.574 9.310 ( 1.110 -1.154 -6.022) 6.231 9.583 ( 5.000 3.017 -3.336) 6.726 9.825 ( -1.168 2.290 -1.052) 2.778 9.870 ( -8.227 -13.598 4.760) 16.591 10.224 ( 0.207 -12.656 -1.461) 12.742 10.299 ( -4.169 -7.235 4.457) 9.466 10.566 ( -4.294 -2.298 2.092) 5.301 10.598 ( -9.658 -2.126 -2.777) 10.271 10.717 ( -1.315 -4.909 -5.162) 7.244 11.134 ( -1.899 11.322 4.999) 12.521 11.360 ( 1.585 7.926 -2.359) 8.420 11.604 ( 4.820 -0.306 0.293) 4.838 11.734 ( 4.837 -1.620 -1.748) 5.392 19.217 ( -1.737 0.968 4.029) 4.493 19.325 ( 1.399 0.741 -3.959) 4.264 19.886 ( 12.579 -2.279 -3.005) 13.132 19.958 ( 13.504 -5.924 7.800) 16.682 20.291 ( -4.473 -1.906 -0.421) 4.880 20.321 ( -6.929 -2.050 -0.747) 7.264 20.437 ( -11.989 -7.711 6.327) 15.596 20.760 ( -13.327 -9.995 -5.957) 17.691 21.176 ( -1.692 4.017 2.744) 5.151 21.225 ( 3.581 5.542 2.950) 7.228 21.410 ( 0.800 2.187 -1.132) 2.589 21.778 ( -4.138 -0.586 -3.078) 5.190 21.852 ( 0.858 0.969 -0.643) 1.445 21.872 ( -1.246 2.865 -0.610) 3.183 22.184 ( 0.783 7.922 2.624) 8.382 22.289 ( 7.789 18.281 -9.255) 21.921 ======================= Grid point 144 (75/92) ======================= q-point: ( 0.00 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( -2.511 16.299 9.783) 19.175 1.296 ( -0.047 10.791 5.379) 12.057 1.334 ( -0.318 12.330 2.521) 12.589 1.574 ( 5.177 7.018 -10.726) 13.824 1.867 ( -0.184 -2.915 0.752) 3.016 1.886 ( -0.369 -3.558 -1.867) 4.035 2.050 ( -1.674 -4.648 3.039) 5.801 2.123 ( 1.954 -2.572 -3.348) 4.652 2.209 ( 0.628 10.781 5.803) 12.259 2.252 ( 0.568 10.705 1.485) 10.823 2.548 ( 1.959 0.275 5.721) 6.053 2.591 ( -2.760 5.899 9.934) 11.878 2.618 ( -0.957 -2.592 3.306) 4.308 2.679 ( -2.208 2.827 -1.196) 3.781 2.745 ( -1.632 -0.732 -2.402) 2.994 2.778 ( -1.187 3.683 0.717) 3.935 2.870 ( 1.538 1.067 -0.311) 1.897 2.902 ( 3.665 2.610 -3.554) 5.733 3.008 ( -4.586 -2.416 -0.549) 5.212 3.090 ( 1.973 5.714 -8.711) 10.603 3.260 ( -3.351 13.047 -1.231) 13.527 3.288 ( -0.340 8.133 -2.564) 8.535 3.449 ( 6.652 7.810 1.394) 10.353 3.499 ( -4.605 13.924 -3.217) 15.014 3.731 ( 1.252 2.842 7.300) 7.933 3.870 ( 0.130 1.719 -6.131) 6.369 4.008 ( 1.273 -1.492 6.047) 6.358 4.088 ( 3.760 0.591 -1.105) 3.963 4.156 ( -1.704 -1.590 6.418) 6.828 4.244 ( -1.504 -5.829 -0.612) 6.051 4.324 ( -3.223 -2.338 -2.996) 4.983 4.377 ( 3.336 -1.524 -4.484) 5.793 4.514 ( -1.411 -1.343 1.677) 2.571 4.559 ( 1.967 -2.421 -3.515) 4.700 4.654 ( -5.379 -0.589 6.306) 8.309 4.757 ( -4.033 0.791 3.070) 5.130 4.769 ( 1.501 0.461 -4.158) 4.444 4.807 ( 4.496 1.305 -1.939) 5.067 4.900 ( -0.970 0.324 2.290) 2.508 4.929 ( 1.672 4.183 0.383) 4.521 5.122 ( -2.098 -0.509 3.448) 4.068 5.236 ( 1.134 -1.649 -6.227) 6.540 5.336 ( 3.603 -2.051 4.312) 5.982 5.451 ( -2.384 -1.405 -5.989) 6.597 5.734 ( 1.488 -6.240 10.039) 11.914 5.819 ( 0.578 4.611 -0.674) 4.696 5.882 ( -0.968 4.175 0.730) 4.348 6.017 ( 0.089 -9.979 -11.393) 15.145 8.233 ( 0.463 2.169 1.633) 2.755 8.247 ( -0.518 1.547 0.095) 1.634 8.410 ( 1.820 2.908 2.309) 4.135 8.480 ( -3.036 1.210 -4.371) 5.457 8.734 ( 2.847 -2.036 3.066) 4.653 8.791 ( -2.615 -1.828 -2.495) 4.050 9.229 ( -0.042 -5.044 11.834) 12.864 9.428 ( 0.847 0.015 -8.393) 8.436 9.589 ( -2.339 0.924 4.120) 4.826 9.692 ( 4.043 -3.945 -5.630) 7.975 9.858 ( -1.465 -1.128 -0.895) 2.054 9.870 ( -1.609 3.870 -2.038) 4.660 10.295 ( 2.828 -4.557 6.394) 8.346 10.395 ( -2.476 -4.744 -3.892) 6.617 10.490 ( 2.924 -5.279 1.822) 6.304 10.526 ( -2.753 -7.534 -1.632) 8.185 11.370 ( -0.398 9.373 4.693) 10.490 11.460 ( 0.292 4.068 -2.316) 4.690 11.599 ( -0.134 -3.888 2.188) 4.463 11.701 ( 0.331 -2.663 -7.268) 7.747 19.257 ( -1.472 1.915 4.157) 4.808 19.327 ( 0.716 0.520 -2.626) 2.771 19.924 ( -8.449 -4.666 7.436) 12.184 20.023 ( 8.179 -4.507 -3.144) 9.853 20.229 ( 8.130 0.018 1.443) 8.257 20.251 ( -7.426 0.215 -0.848) 7.478 20.313 ( 1.971 -2.254 3.130) 4.331 20.394 ( -2.285 -5.641 -4.619) 7.640 21.276 ( -0.918 4.327 5.026) 6.695 21.381 ( 1.282 5.308 -4.983) 7.393 21.464 ( 0.079 -1.858 8.284) 8.490 21.625 ( -0.461 -3.254 -7.401) 8.098 21.878 ( 0.110 1.530 0.028) 1.534 21.886 ( -0.184 1.183 -0.638) 1.357 22.413 ( -1.088 10.897 4.390) 11.798 22.554 ( 2.172 9.060 -10.594) 14.108 ======================= Grid point 145 (76/92) ======================= q-point: ( 0.11 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( 3.293 13.263 7.175) 15.434 1.366 ( 7.240 12.485 -5.235) 15.353 1.398 ( 0.055 7.787 7.476) 10.795 1.550 ( 6.167 9.289 -13.507) 17.514 1.824 ( 0.086 -2.226 0.580) 2.302 1.908 ( -2.175 -5.542 1.040) 6.044 2.029 ( -1.747 0.408 1.638) 2.429 2.084 ( -1.560 -2.630 -3.375) 4.555 2.259 ( 2.051 4.753 -0.840) 5.244 2.323 ( 2.372 7.630 -1.476) 8.126 2.531 ( -4.712 -0.305 -1.743) 5.033 2.587 ( -4.761 1.441 1.617) 5.231 2.659 ( -4.172 1.217 4.517) 6.268 2.719 ( 3.973 1.206 2.757) 4.984 2.734 ( 1.415 7.906 1.470) 8.165 2.802 ( 1.893 8.402 -3.128) 9.163 2.824 ( 0.648 -0.661 -0.027) 0.926 2.868 ( 1.077 2.655 -1.427) 3.201 2.960 ( -3.772 1.278 6.679) 7.776 3.054 ( 0.700 1.211 -1.487) 2.042 3.271 ( 1.436 11.211 5.633) 12.628 3.328 ( -0.486 17.838 -5.326) 18.622 3.395 ( 3.811 3.083 1.200) 5.047 3.569 ( 3.137 6.787 0.254) 7.481 3.784 ( -0.391 1.077 -5.569) 5.686 3.836 ( 2.451 3.684 3.380) 5.568 3.964 ( -6.160 -1.082 0.130) 6.256 4.059 ( -0.401 -0.406 -6.237) 6.263 4.189 ( -5.077 -4.660 5.429) 8.773 4.274 ( 3.269 0.258 -2.136) 3.914 4.355 ( 6.172 -3.676 -0.883) 7.238 4.383 ( 3.638 0.233 1.905) 4.113 4.533 ( 1.147 -2.821 -1.109) 3.240 4.592 ( 3.619 -2.276 -1.205) 4.442 4.665 ( -2.983 4.859 3.322) 6.599 4.705 ( 0.223 -1.249 5.446) 5.592 4.797 ( 1.857 -1.491 -0.504) 2.434 4.891 ( 8.431 -5.760 -4.044) 10.983 4.932 ( 5.173 2.589 0.822) 5.843 5.036 ( 5.504 5.916 -1.119) 8.157 5.161 ( 1.372 -2.449 6.891) 7.441 5.208 ( 0.692 1.141 -3.463) 3.711 5.357 ( 1.189 -1.891 -6.568) 6.937 5.466 ( 4.282 -2.592 3.081) 5.878 5.743 ( -4.665 -0.599 -6.586) 8.093 5.771 ( -5.337 -4.890 1.210) 7.338 5.863 ( -4.823 -3.179 6.274) 8.528 5.936 ( 2.185 3.157 -3.049) 4.903 8.195 ( -2.609 3.165 -0.245) 4.109 8.314 ( 3.906 1.290 -0.136) 4.116 8.406 ( -0.568 4.309 -1.017) 4.464 8.498 ( 3.806 1.833 3.984) 5.807 8.702 ( -1.973 1.827 -1.526) 3.092 8.930 ( 10.276 -4.398 1.499) 11.278 9.194 ( -11.287 -1.346 4.285) 12.148 9.257 ( -6.487 -4.318 -7.118) 10.554 9.574 ( -2.022 3.323 2.140) 4.440 9.743 ( 6.135 -5.309 -2.678) 8.544 9.850 ( 0.863 0.094 0.516) 1.010 9.931 ( 4.318 -1.264 2.995) 5.405 10.289 ( -1.637 -8.613 -2.502) 9.117 10.473 ( 2.561 -8.768 -0.731) 9.164 10.514 ( 7.281 -3.107 0.620) 7.941 10.595 ( 6.185 -2.092 1.545) 6.709 11.405 ( -0.175 8.002 1.672) 8.176 11.434 ( 0.103 5.960 -1.003) 6.045 11.576 ( -5.113 -3.487 1.102) 6.286 11.633 ( -1.363 -3.407 -1.754) 4.067 19.269 ( -1.450 1.635 3.830) 4.410 19.314 ( 0.640 0.647 -2.481) 2.643 19.780 ( -10.799 -0.093 4.041) 11.531 19.957 ( -9.605 -5.785 -3.997) 11.904 20.236 ( 6.064 -1.000 0.390) 6.158 20.299 ( 2.106 -1.994 -1.096) 3.100 20.471 ( 13.060 -2.562 -3.420) 13.741 20.532 ( 11.671 -4.000 3.708) 12.883 21.294 ( -2.497 4.240 3.376) 5.967 21.332 ( -1.302 4.105 -3.045) 5.274 21.459 ( -3.448 0.376 -0.987) 3.606 21.652 ( 5.739 -5.138 0.927) 7.759 21.877 ( 0.121 1.863 -0.194) 1.877 21.894 ( 1.090 0.995 0.245) 1.496 22.400 ( -5.255 10.730 4.422) 12.739 22.461 ( -2.480 8.824 -6.263) 11.102 ======================= Grid point 146 (77/92) ======================= q-point: ( 0.22 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( -0.205 9.743 -1.249) 9.825 1.408 ( 2.770 10.600 -2.888) 11.331 1.523 ( 3.034 7.742 -2.097) 8.576 1.573 ( 11.136 9.918 -4.260) 15.509 1.816 ( -7.612 -3.389 -0.576) 8.352 1.860 ( 3.760 -1.551 -3.605) 5.435 1.947 ( -6.470 1.278 -0.065) 6.595 2.081 ( 1.864 -2.855 1.892) 3.899 2.276 ( -2.673 7.297 -0.372) 7.780 2.287 ( -1.062 5.354 -0.772) 5.513 2.387 ( -4.872 3.747 -0.723) 6.189 2.506 ( -3.579 2.113 -0.296) 4.166 2.634 ( -1.204 3.501 0.832) 3.794 2.712 ( -2.004 -1.068 1.237) 2.586 2.740 ( -2.098 3.938 -2.658) 5.194 2.815 ( 1.142 5.795 -0.853) 5.968 2.869 ( 0.737 0.823 -3.235) 3.418 2.956 ( 6.347 1.453 1.305) 6.641 3.015 ( 0.822 6.577 8.771) 10.994 3.132 ( 4.247 1.014 5.457) 6.989 3.217 ( 0.225 16.411 -6.800) 17.766 3.379 ( 0.618 10.494 4.307) 11.360 3.507 ( -3.647 0.408 -0.617) 3.721 3.581 ( 7.645 1.929 1.847) 8.098 3.817 ( 2.058 -2.534 -0.393) 3.288 3.830 ( 1.309 4.182 2.174) 4.892 3.968 ( 2.446 1.038 1.808) 3.214 4.003 ( -1.276 3.599 -3.275) 5.031 4.089 ( -6.786 -2.941 1.627) 7.573 4.280 ( 3.627 0.144 -4.830) 6.042 4.450 ( 0.633 2.307 2.125) 3.199 4.517 ( 5.321 -3.000 -0.819) 6.163 4.544 ( 7.135 -2.524 -1.409) 7.699 4.609 ( -0.355 -2.668 -0.345) 2.714 4.678 ( 0.861 -0.441 3.189) 3.332 4.815 ( 4.026 -0.856 1.510) 4.384 4.870 ( 6.220 -0.908 1.054) 6.374 4.988 ( 6.165 -6.485 -2.122) 9.196 5.048 ( 4.722 4.340 -3.069) 7.110 5.106 ( 2.527 2.634 3.278) 4.906 5.191 ( -0.351 0.972 0.280) 1.071 5.284 ( 2.674 -1.508 5.814) 6.575 5.369 ( 7.628 0.151 -7.476) 10.682 5.526 ( 0.060 -3.709 0.435) 3.734 5.544 ( -5.363 -4.485 -6.391) 9.472 5.705 ( -2.660 1.649 0.649) 3.196 5.851 ( -3.323 -2.061 5.639) 6.863 5.964 ( 2.228 3.018 -0.905) 3.859 8.132 ( -3.019 5.677 -1.094) 6.523 8.346 ( 0.336 2.905 1.287) 3.195 8.475 ( 5.152 3.515 1.702) 6.464 8.591 ( -6.469 3.935 -2.144) 7.869 8.615 ( 1.477 3.399 4.039) 5.482 8.948 ( -12.849 -1.658 5.267) 13.985 9.096 ( 3.485 -1.984 -7.028) 8.092 9.226 ( 10.536 -5.771 -3.864) 12.619 9.592 ( 1.972 3.282 3.131) 4.946 9.837 ( 2.828 -4.493 -1.248) 5.454 9.884 ( 4.824 -5.746 1.729) 7.700 10.038 ( 3.293 -2.547 3.460) 5.413 10.243 ( -0.365 -9.058 -3.550) 9.736 10.461 ( -0.079 -12.677 -3.272) 13.093 10.659 ( 3.134 -0.556 0.943) 3.319 10.739 ( 7.767 -2.328 1.210) 8.198 11.409 ( 1.077 8.594 -0.845) 8.703 11.422 ( -1.664 1.666 -1.415) 2.747 11.499 ( -2.901 -1.046 2.411) 3.914 11.601 ( -1.993 -0.450 0.959) 2.257 19.278 ( -0.991 0.996 2.773) 3.109 19.304 ( 0.671 0.541 -1.947) 2.130 19.633 ( -8.140 0.124 2.162) 8.423 19.742 ( -8.126 -2.936 -4.050) 9.542 20.346 ( 5.584 -1.189 -0.161) 5.711 20.409 ( 8.490 -3.165 1.271) 9.149 20.627 ( 8.758 0.989 -4.125) 9.731 20.787 ( 9.731 -4.842 2.763) 11.215 21.204 ( -5.499 2.370 -2.831) 6.624 21.321 ( -1.940 7.357 3.325) 8.303 21.417 ( 1.018 -2.106 -0.967) 2.531 21.766 ( 4.407 -6.410 1.588) 7.939 21.887 ( 1.179 2.845 0.036) 3.080 21.925 ( 2.109 0.821 -0.124) 2.266 22.310 ( -6.425 8.880 0.631) 10.979 22.355 ( -5.793 8.495 -0.113) 10.283 ======================= Grid point 147 (78/92) ======================= q-point: ( 0.33 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( -1.013 13.476 -6.303) 14.912 1.418 ( 0.245 10.173 2.211) 10.414 1.530 ( 2.600 5.229 -2.141) 6.220 1.689 ( -3.022 0.361 -1.098) 3.235 1.739 ( 5.187 2.920 -4.736) 7.607 1.827 ( 0.615 1.416 -1.539) 2.180 1.931 ( -0.030 8.119 0.442) 8.131 2.117 ( -1.502 -2.659 2.386) 3.875 2.170 ( -4.848 -1.314 0.074) 5.023 2.271 ( 0.729 6.618 1.898) 6.923 2.410 ( -4.015 -2.937 -0.685) 5.021 2.465 ( 4.376 12.232 0.891) 13.022 2.556 ( -6.372 2.141 -1.268) 6.840 2.627 ( -5.577 2.128 -1.251) 6.099 2.763 ( 3.535 -0.131 1.589) 3.878 2.809 ( -1.092 3.037 3.112) 4.483 2.836 ( 1.646 5.048 -6.030) 8.034 3.038 ( 1.954 2.950 1.357) 3.790 3.121 ( 2.476 6.430 4.592) 8.281 3.209 ( 0.723 3.930 2.762) 4.858 3.290 ( -4.904 11.747 -3.404) 13.177 3.308 ( 9.130 10.475 -0.553) 13.906 3.464 ( -0.591 -2.883 0.564) 2.997 3.761 ( -4.340 1.779 4.489) 6.493 3.763 ( -6.046 -0.297 2.739) 6.644 3.852 ( 4.531 3.500 1.651) 5.959 3.946 ( -2.773 -1.668 -0.794) 3.332 4.016 ( 1.571 3.514 -0.539) 3.887 4.112 ( 7.607 -0.994 0.328) 7.679 4.336 ( 5.414 0.748 -3.062) 6.265 4.449 ( -0.760 3.517 -0.294) 3.610 4.564 ( 2.988 -3.364 -0.194) 4.504 4.586 ( -1.590 0.026 -1.773) 2.382 4.720 ( 7.491 -5.368 0.096) 9.216 4.751 ( 4.103 -2.500 4.565) 6.627 4.867 ( 3.465 -0.132 -2.279) 4.149 4.957 ( 2.005 0.891 -1.484) 2.649 5.075 ( 4.119 -6.279 -1.309) 7.623 5.115 ( 4.603 2.096 0.439) 5.077 5.159 ( 0.900 3.143 2.416) 4.065 5.199 ( 1.783 2.082 -0.236) 2.752 5.305 ( -1.858 0.296 -0.603) 1.975 5.440 ( -0.250 -0.745 -3.815) 3.896 5.461 ( 1.635 -3.411 -0.154) 3.786 5.550 ( 0.887 -4.151 4.545) 6.219 5.704 ( 2.939 -1.096 -2.819) 4.217 5.835 ( -0.476 1.899 0.244) 1.973 5.991 ( 0.165 1.742 1.020) 2.025 8.082 ( -1.674 5.890 0.230) 6.128 8.341 ( -6.067 0.539 -0.085) 6.092 8.404 ( -3.372 7.673 -0.126) 8.382 8.593 ( 4.035 6.112 2.645) 7.787 8.683 ( -2.434 1.580 2.741) 3.992 8.764 ( -7.547 -0.242 3.382) 8.273 9.161 ( 8.456 -2.034 -5.482) 10.280 9.352 ( 5.994 -3.649 -4.108) 8.132 9.712 ( 6.064 1.235 4.161) 7.458 9.850 ( 1.103 -4.611 -0.661) 4.787 10.038 ( 6.692 -8.898 3.375) 11.634 10.116 ( 3.479 -1.819 0.395) 3.945 10.194 ( -0.580 -8.965 -4.576) 10.082 10.426 ( 0.678 -10.233 -2.451) 10.544 10.647 ( -4.277 -2.538 0.514) 5.000 10.840 ( 1.047 -5.933 0.232) 6.029 11.398 ( 1.431 1.322 -1.235) 2.307 11.412 ( -1.073 5.817 1.322) 6.061 11.512 ( 1.822 1.378 0.682) 2.384 11.579 ( -0.890 3.059 -0.120) 3.188 19.286 ( -0.691 0.444 1.952) 2.118 19.301 ( 0.839 0.228 -1.446) 1.687 19.528 ( -4.904 0.109 1.329) 5.081 19.593 ( -4.446 -1.321 -2.742) 5.388 20.459 ( 6.462 -0.855 0.080) 6.518 20.573 ( 6.784 -4.317 1.075) 8.113 20.737 ( 6.964 4.274 -1.908) 8.391 20.904 ( 1.652 -2.343 0.613) 2.931 21.077 ( -5.625 3.681 -0.945) 6.788 21.284 ( -2.758 8.620 -2.028) 9.275 21.497 ( 4.490 -7.810 4.996) 10.302 21.831 ( 1.975 -7.162 -0.756) 7.468 21.923 ( 2.527 4.010 0.250) 4.747 21.966 ( 2.744 1.830 -0.717) 3.376 22.198 ( -5.821 6.823 0.383) 8.977 22.243 ( -6.199 6.725 0.443) 9.157 ======================= Grid point 148 (79/92) ======================= q-point: ( 0.44 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( 8.896 13.259 2.675) 16.190 1.493 ( 2.571 7.387 4.253) 8.903 1.582 ( 2.259 2.921 3.938) 5.399 1.654 ( -2.155 2.017 1.456) 3.291 1.716 ( -0.601 -0.613 -7.749) 7.796 1.817 ( 3.228 2.234 -3.585) 5.316 1.875 ( -4.821 5.159 -4.354) 8.295 1.978 ( -10.785 -1.897 -1.023) 10.998 2.173 ( -0.958 2.650 1.603) 3.242 2.259 ( -4.390 1.475 -0.896) 4.717 2.375 ( 4.891 2.855 -2.884) 6.355 2.427 ( -0.081 1.702 -1.209) 2.089 2.558 ( -3.574 8.589 -0.009) 9.303 2.563 ( 2.502 8.431 1.307) 8.891 2.798 ( 0.149 2.366 1.121) 2.623 2.817 ( 1.220 1.763 -1.868) 2.843 2.887 ( 0.922 5.203 5.992) 7.990 3.039 ( -2.378 9.077 -2.238) 9.646 3.195 ( 2.890 5.578 1.250) 6.406 3.223 ( 2.274 9.005 -0.459) 9.299 3.283 ( 0.114 1.626 9.384) 9.524 3.403 ( -2.778 0.717 -0.231) 2.879 3.474 ( 6.968 6.681 -4.141) 10.503 3.600 ( -9.994 2.693 -0.715) 10.375 3.736 ( -1.105 0.547 7.344) 7.446 3.913 ( 0.445 -3.706 -0.934) 3.848 3.944 ( -1.017 1.543 1.303) 2.261 4.034 ( 3.428 0.787 -5.198) 6.276 4.254 ( 4.979 0.937 3.376) 6.088 4.386 ( 1.728 0.931 -2.048) 2.836 4.426 ( -1.241 1.614 -0.096) 2.038 4.499 ( -2.600 -0.174 -3.779) 4.591 4.650 ( 4.171 -1.514 2.499) 5.093 4.803 ( 0.945 -1.603 -0.886) 2.061 4.867 ( 2.522 -2.019 3.352) 4.656 4.925 ( 1.568 -2.093 0.451) 2.654 4.956 ( 2.838 1.122 -1.945) 3.619 5.075 ( -3.194 -1.590 -3.351) 4.895 5.167 ( 2.627 -0.106 1.307) 2.936 5.214 ( 1.833 1.157 1.202) 2.479 5.257 ( -1.310 -2.690 1.371) 3.291 5.266 ( 2.160 2.705 -0.890) 3.574 5.390 ( 0.815 1.190 -0.422) 1.503 5.485 ( -1.675 -2.211 -1.379) 3.097 5.578 ( -0.455 -2.562 2.671) 3.729 5.689 ( -0.272 -5.111 -4.678) 6.934 5.902 ( 6.159 3.400 0.075) 7.036 5.977 ( -2.997 1.435 1.094) 3.499 8.081 ( 0.705 5.004 1.604) 5.302 8.194 ( -5.081 3.926 -2.359) 6.841 8.428 ( 1.446 3.712 3.359) 5.211 8.560 ( -5.864 1.015 -0.757) 5.999 8.687 ( 1.514 6.822 4.068) 8.086 8.760 ( -0.291 2.539 1.505) 2.966 9.255 ( 5.238 -1.645 -2.432) 6.005 9.370 ( 1.033 -5.156 -5.294) 7.461 9.836 ( 0.874 4.019 5.983) 7.260 9.895 ( 4.249 -7.287 0.553) 8.453 10.070 ( -1.915 -6.597 -2.293) 7.242 10.098 ( -2.366 -1.885 -5.142) 5.966 10.291 ( 10.386 -11.390 1.043) 15.450 10.442 ( -1.931 -3.848 0.203) 4.310 10.581 ( -0.133 -9.336 3.042) 9.820 10.781 ( -5.102 -7.979 -2.779) 9.870 11.406 ( -1.459 4.118 2.597) 5.082 11.430 ( 1.824 3.094 -1.117) 3.761 11.540 ( -1.045 3.605 2.031) 4.268 11.574 ( 2.532 3.155 -3.179) 5.145 19.284 ( -2.114 0.340 2.602) 3.369 19.309 ( 1.754 -0.323 -1.783) 2.522 19.479 ( -1.592 0.253 1.028) 1.912 19.520 ( -1.004 -0.684 -2.084) 2.412 20.568 ( 4.218 -1.024 0.827) 4.419 20.645 ( 1.018 -2.846 -1.514) 3.381 20.851 ( 4.951 1.869 0.724) 5.341 20.901 ( -1.658 -0.506 0.430) 1.786 21.011 ( -0.748 6.673 2.125) 7.043 21.186 ( -3.999 8.449 -4.607) 10.421 21.632 ( 3.321 -9.476 6.260) 11.833 21.821 ( -0.834 -8.040 -3.336) 8.745 21.979 ( 3.035 5.341 -0.001) 6.143 22.004 ( 1.043 5.283 -0.256) 5.391 22.115 ( -3.977 5.062 1.817) 6.689 22.152 ( -1.896 2.884 -1.852) 3.917 ======================= Grid point 149 (80/92) ======================= q-point: (-0.44 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( -12.080 9.436 -4.523) 15.982 1.519 ( 4.449 5.469 5.550) 8.973 1.590 ( -5.091 3.550 -0.718) 6.248 1.660 ( 2.642 2.877 -0.546) 3.944 1.689 ( -5.723 2.049 -4.928) 7.825 1.755 ( 2.285 -0.290 2.336) 3.281 1.850 ( 5.046 3.592 0.028) 6.194 1.954 ( 10.858 0.011 0.689) 10.880 2.175 ( 0.491 0.977 2.534) 2.760 2.230 ( 4.097 0.853 -0.729) 4.248 2.371 ( -5.639 7.087 -2.438) 9.379 2.438 ( 1.097 4.105 -1.964) 4.681 2.545 ( 0.584 7.758 2.778) 8.261 2.585 ( 1.954 9.037 -2.010) 9.462 2.780 ( -4.659 1.522 0.722) 4.954 2.815 ( -2.286 -0.973 0.915) 2.648 2.892 ( -2.501 8.337 5.169) 10.123 3.047 ( 6.098 9.257 -3.135) 11.520 3.206 ( -5.166 8.888 1.773) 10.431 3.235 ( -2.952 10.952 -2.195) 11.553 3.279 ( -3.810 -0.446 5.205) 6.466 3.431 ( -3.463 0.595 0.762) 3.595 3.498 ( 8.109 2.054 -3.478) 9.059 3.582 ( 8.692 1.956 -1.735) 9.077 3.791 ( -3.312 -1.229 7.540) 8.327 3.869 ( -4.404 1.280 -0.713) 4.641 3.924 ( 1.096 -1.156 -0.295) 1.620 4.046 ( 3.058 -1.582 -5.149) 6.194 4.299 ( -5.192 2.718 0.986) 5.942 4.358 ( -1.456 3.090 0.284) 3.427 4.407 ( 0.254 0.574 1.019) 1.196 4.481 ( 2.977 -2.478 -2.443) 4.579 4.717 ( -5.181 -0.897 -2.983) 6.045 4.748 ( 1.136 -0.288 3.532) 3.722 4.896 ( -1.987 -2.014 2.122) 3.536 4.913 ( -3.503 -2.845 -0.908) 4.603 4.960 ( -3.483 1.430 -0.692) 3.828 5.027 ( 1.953 -0.218 0.337) 1.994 5.159 ( -4.591 0.528 3.940) 6.073 5.207 ( -2.095 3.195 -2.209) 4.413 5.250 ( -0.592 1.327 0.760) 1.640 5.334 ( 2.301 -3.197 -3.452) 5.238 5.407 ( 1.465 -0.239 -1.423) 2.057 5.468 ( 4.524 -1.592 -0.676) 4.843 5.551 ( -5.006 -4.277 5.082) 8.318 5.684 ( 3.134 -4.461 -3.886) 6.695 5.896 ( -5.573 3.528 0.627) 6.625 5.999 ( 3.698 1.520 -0.995) 4.120 8.112 ( -1.186 4.783 -0.967) 5.021 8.153 ( 4.552 4.798 1.288) 6.738 8.468 ( -2.089 1.626 -0.238) 2.658 8.535 ( 5.961 2.242 1.484) 6.539 8.709 ( -3.282 5.911 3.174) 7.469 8.769 ( 0.796 4.932 -0.290) 5.004 9.265 ( -4.323 -3.510 -1.931) 5.894 9.327 ( 1.288 -6.106 -2.758) 6.822 9.866 ( -3.973 -0.375 4.321) 5.882 9.944 ( -1.507 -0.949 -4.320) 4.673 9.996 ( -1.623 -4.099 2.487) 5.061 10.061 ( 3.041 -5.774 -0.496) 6.545 10.305 ( -9.432 -9.814 -0.204) 13.613 10.457 ( 4.360 -4.640 -1.151) 6.470 10.657 ( -1.785 -7.019 -4.588) 8.573 10.714 ( 6.819 -10.560 4.000) 13.192 11.385 ( -3.821 3.827 2.732) 6.059 11.438 ( -0.048 3.092 0.390) 3.117 11.519 ( -2.614 4.272 0.876) 5.084 11.601 ( 3.463 3.134 -3.102) 5.607 19.262 ( -2.731 0.774 2.590) 3.843 19.324 ( 1.090 -1.080 -1.039) 1.853 19.486 ( 1.102 0.311 0.630) 1.307 19.516 ( 2.901 -0.576 -1.984) 3.561 20.589 ( -4.862 -1.078 -1.207) 5.124 20.610 ( -1.320 -1.693 1.781) 2.789 20.868 ( -2.441 0.713 -0.844) 2.680 20.914 ( 1.974 -0.904 -0.884) 2.345 21.035 ( -2.654 7.482 1.315) 8.047 21.126 ( 4.431 7.915 -0.177) 9.073 21.700 ( -3.914 -8.878 2.902) 10.127 21.770 ( 1.153 -8.524 -1.697) 8.768 21.976 ( -2.793 5.277 0.256) 5.976 22.001 ( -1.954 5.243 -0.023) 5.595 22.103 ( 2.119 5.035 1.380) 5.634 22.182 ( 6.663 3.130 -3.006) 7.952 ======================= Grid point 150 (81/92) ======================= q-point: (-0.33 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( -5.238 14.461 0.913) 15.407 1.458 ( -11.163 9.154 4.807) 15.216 1.489 ( -1.424 5.191 -4.312) 6.897 1.648 ( 0.987 -1.446 0.788) 1.920 1.699 ( 2.243 2.619 0.685) 3.516 1.818 ( 2.062 1.775 -1.029) 2.909 1.944 ( 2.952 5.530 -0.635) 6.301 2.160 ( 6.992 -2.571 -0.965) 7.512 2.191 ( -1.665 3.159 -2.719) 4.488 2.301 ( 0.122 9.513 -0.061) 9.514 2.352 ( 5.033 0.038 1.249) 5.186 2.479 ( 8.552 2.484 5.245) 10.336 2.538 ( -3.006 9.341 -2.376) 10.096 2.598 ( -0.220 5.123 1.464) 5.332 2.710 ( -3.471 3.487 4.662) 6.778 2.787 ( -0.693 -1.308 0.047) 1.481 2.865 ( -3.054 1.063 -1.999) 3.802 3.088 ( -4.685 10.877 1.245) 11.908 3.133 ( -3.317 13.866 1.088) 14.298 3.156 ( -1.831 5.282 -0.116) 5.592 3.267 ( 3.084 0.993 0.958) 3.379 3.354 ( -4.181 -0.847 -2.461) 4.925 3.550 ( -0.491 -0.622 -5.934) 5.986 3.730 ( -1.597 6.223 7.042) 9.533 3.768 ( 4.258 -1.124 1.063) 4.530 3.871 ( 4.315 0.756 -2.424) 5.007 3.954 ( 0.335 0.777 3.283) 3.391 4.033 ( 0.893 -1.987 -4.127) 4.667 4.169 ( -5.911 1.096 -4.519) 7.520 4.296 ( -5.321 1.546 0.923) 5.617 4.435 ( 0.323 -0.080 0.840) 0.903 4.531 ( 1.426 -0.678 2.844) 3.253 4.597 ( -3.138 -1.862 -2.691) 4.534 4.725 ( -7.382 -5.241 -0.467) 9.065 4.802 ( -3.405 -1.115 0.646) 3.640 4.864 ( -5.393 0.557 -2.734) 6.072 4.899 ( -2.297 2.636 3.907) 5.243 5.028 ( -3.692 -1.821 3.663) 5.511 5.109 ( -5.323 2.895 1.462) 6.233 5.190 ( 1.449 3.842 -1.897) 4.523 5.204 ( -0.510 2.066 -0.789) 2.270 5.305 ( -0.940 -1.258 0.018) 1.571 5.370 ( -6.648 -0.786 -0.431) 6.709 5.513 ( 2.922 -4.684 -0.360) 5.532 5.621 ( -6.196 -6.010 -0.611) 8.654 5.656 ( 8.024 -4.590 -1.079) 9.307 5.836 ( -0.160 4.860 -0.395) 4.879 6.023 ( 0.778 1.624 -1.693) 2.471 8.096 ( 0.735 6.121 -1.059) 6.255 8.299 ( 8.284 3.238 2.830) 9.334 8.430 ( -0.874 3.413 -1.589) 3.865 8.619 ( -2.990 5.100 0.265) 5.918 8.743 ( 6.367 2.815 -1.156) 7.057 8.763 ( 1.725 4.020 2.489) 5.033 9.122 ( -7.653 -4.691 -1.963) 9.188 9.308 ( -3.018 -7.491 -0.131) 8.078 9.763 ( -8.386 -5.961 -0.805) 10.320 9.847 ( -1.970 -1.043 -0.730) 2.346 10.058 ( -0.506 6.597 5.768) 8.778 10.116 ( -6.644 -10.486 -4.064) 13.062 10.128 ( 1.256 -8.822 2.061) 9.147 10.422 ( -2.306 -7.907 -2.197) 8.524 10.668 ( 3.046 -3.087 -1.598) 4.622 10.827 ( 0.838 -8.500 1.658) 8.701 11.338 ( -3.416 2.911 3.263) 5.548 11.456 ( -0.150 -1.070 2.734) 2.940 11.462 ( -2.291 6.951 -1.254) 7.425 11.640 ( 4.375 3.675 -3.616) 6.762 19.241 ( -2.329 1.188 2.948) 3.941 19.328 ( 0.441 -1.345 -0.665) 1.563 19.528 ( 2.815 0.386 1.093) 3.044 19.587 ( 6.707 -1.182 -2.209) 7.160 20.467 ( -6.741 -0.536 -0.679) 6.796 20.565 ( -5.495 -3.464 1.847) 6.753 20.737 ( -9.051 4.050 -1.869) 10.091 20.911 ( -1.455 -2.018 0.020) 2.488 21.067 ( 4.426 3.883 -0.054) 5.888 21.229 ( 3.418 6.314 3.036) 7.795 21.586 ( -5.772 -6.982 -3.104) 9.576 21.798 ( -0.339 -7.434 2.113) 7.736 21.929 ( -2.113 3.252 -0.265) 3.887 21.953 ( -2.677 2.991 0.500) 4.045 22.184 ( 4.731 7.239 0.724) 8.678 22.304 ( 9.951 6.113 -4.080) 12.371 ======================= Grid point 151 (82/92) ======================= q-point: (-0.22 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( -4.930 15.507 8.917) 18.555 1.327 ( -10.416 12.380 9.817) 18.925 1.464 ( 2.851 5.814 -3.209) 7.227 1.650 ( -1.112 4.309 -4.600) 6.401 1.767 ( -1.509 -1.183 1.999) 2.770 1.818 ( 5.226 0.080 1.082) 5.337 1.962 ( 1.714 7.816 0.170) 8.004 2.109 ( -2.237 -4.829 -3.509) 6.375 2.246 ( -3.322 9.505 2.872) 10.470 2.307 ( 6.561 1.272 0.005) 6.683 2.404 ( -3.977 12.913 -3.081) 13.858 2.494 ( 4.454 -2.720 0.068) 5.220 2.574 ( -3.923 7.431 5.446) 10.013 2.677 ( 0.439 4.418 1.784) 4.785 2.729 ( 2.870 1.119 5.439) 6.251 2.786 ( 1.092 -0.088 -1.510) 1.866 2.832 ( 1.017 -0.562 0.182) 1.176 2.967 ( -7.151 6.323 0.955) 9.593 3.101 ( 0.404 13.396 -2.945) 13.722 3.137 ( 0.182 5.915 1.747) 6.170 3.257 ( -3.577 -5.441 -2.816) 7.094 3.412 ( 5.941 9.953 0.613) 11.608 3.448 ( -1.401 -4.564 1.770) 5.091 3.689 ( -4.752 5.382 -3.574) 8.020 3.813 ( -6.750 -0.528 -1.967) 7.050 3.845 ( -2.320 1.411 -0.093) 2.717 3.975 ( 0.198 5.464 0.800) 5.525 4.032 ( -1.096 0.570 -4.057) 4.240 4.114 ( 7.501 -4.044 -0.985) 8.579 4.210 ( -3.593 -0.420 1.639) 3.971 4.435 ( -1.067 -2.194 1.698) 2.973 4.529 ( -3.396 -1.000 -0.738) 3.616 4.546 ( -7.807 0.005 -1.077) 7.881 4.578 ( -0.720 -5.397 2.280) 5.903 4.744 ( -1.302 -0.282 -3.154) 3.423 4.799 ( -1.497 0.828 2.270) 2.842 4.868 ( -4.292 0.206 2.030) 4.753 4.978 ( -5.401 -2.368 2.080) 6.253 4.989 ( -6.419 4.858 -0.306) 8.056 5.172 ( -4.405 2.558 -2.888) 5.856 5.209 ( -1.787 0.373 -1.083) 2.123 5.220 ( -5.717 1.556 5.392) 8.011 5.335 ( 1.626 -2.057 1.524) 3.033 5.490 ( -2.377 -4.442 -2.729) 5.729 5.537 ( -0.400 -2.033 1.290) 2.441 5.751 ( 3.989 -0.715 -3.778) 5.540 5.882 ( 3.527 1.672 0.531) 3.939 6.020 ( 3.150 -2.347 -4.584) 6.037 8.118 ( 2.064 6.523 0.272) 6.847 8.362 ( -2.866 0.672 -0.384) 2.969 8.485 ( 0.292 5.459 0.835) 5.530 8.575 ( 4.208 4.580 0.229) 6.224 8.688 ( -2.833 0.891 -2.582) 3.935 8.962 ( -3.663 -3.723 5.938) 7.908 9.000 ( 5.893 3.873 -0.620) 7.079 9.216 ( -2.851 -10.343 -2.903) 11.115 9.629 ( -4.343 -1.230 -1.017) 4.627 9.820 ( -1.649 -1.007 0.791) 2.088 9.940 ( -5.973 -7.901 -3.730) 10.584 10.073 ( -1.906 0.437 1.482) 2.453 10.173 ( 0.045 -3.971 1.957) 4.427 10.407 ( 0.666 -13.097 1.505) 13.200 10.672 ( -2.124 -1.704 -0.229) 2.733 10.758 ( -7.997 -4.213 -0.449) 9.050 11.353 ( 1.101 1.029 4.156) 4.421 11.384 ( -4.432 8.011 1.697) 9.311 11.521 ( 4.238 -2.206 -0.872) 4.856 11.691 ( 5.810 3.173 -5.622) 8.685 19.236 ( -1.743 1.472 3.510) 4.186 19.331 ( 0.794 -0.920 -1.030) 1.593 19.624 ( 5.466 -0.530 3.781) 6.667 19.712 ( 9.220 -1.982 -2.475) 9.750 20.344 ( -5.676 -0.779 -0.109) 5.730 20.434 ( -9.171 -4.846 -0.790) 10.403 20.561 ( -9.399 4.078 2.097) 10.458 20.829 ( -7.732 -5.793 -1.345) 9.754 21.155 ( 3.955 2.947 1.653) 5.202 21.294 ( 0.203 4.590 3.667) 5.879 21.473 ( -1.790 -1.255 -4.085) 4.633 21.784 ( -2.233 -6.111 -0.061) 6.506 21.894 ( -1.056 2.647 -0.541) 2.901 21.921 ( -1.369 1.323 0.243) 1.919 22.280 ( 4.362 8.990 1.296) 10.076 22.454 ( 11.601 8.048 -7.217) 15.857 ======================= Grid point 152 (83/92) ======================= q-point: (-0.11 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( -6.173 15.437 10.607) 19.721 1.257 ( -8.077 15.005 13.124) 21.508 1.459 ( -7.873 6.078 -5.295) 11.268 1.538 ( 5.880 6.253 -6.121) 10.543 1.785 ( 2.449 -2.188 3.217) 4.597 1.956 ( 1.768 -6.612 -0.213) 6.848 2.032 ( -0.964 1.390 5.731) 5.975 2.049 ( 4.921 2.736 -4.191) 7.020 2.193 ( -4.451 12.468 4.450) 13.966 2.285 ( -3.526 8.533 -0.331) 9.238 2.451 ( 2.363 1.736 5.208) 5.977 2.570 ( 0.860 1.890 4.593) 5.040 2.590 ( -1.084 1.135 4.708) 4.963 2.717 ( 3.147 6.909 1.343) 7.710 2.755 ( -1.119 4.470 1.964) 5.009 2.800 ( 2.507 -1.585 -5.518) 6.265 2.841 ( -1.322 -3.378 1.314) 3.858 2.873 ( -2.949 1.160 -1.290) 3.421 3.090 ( 0.253 4.220 -3.064) 5.221 3.129 ( -1.826 3.011 -6.294) 7.212 3.224 ( 5.073 11.676 3.755) 13.272 3.393 ( -3.046 5.258 -4.419) 7.513 3.501 ( -5.332 4.516 -8.718) 11.172 3.578 ( -1.241 9.783 -1.251) 9.940 3.629 ( -1.951 1.854 7.264) 7.746 3.888 ( 2.604 -3.897 4.816) 6.720 3.934 ( -1.984 3.847 -3.968) 5.872 4.023 ( 2.733 0.687 -1.152) 3.044 4.148 ( -3.128 1.295 6.586) 7.405 4.278 ( 4.815 -5.599 -2.224) 7.712 4.348 ( -5.336 -1.233 -0.338) 5.487 4.461 ( -4.715 0.191 -1.909) 5.091 4.492 ( 1.866 -2.331 0.924) 3.126 4.576 ( -1.743 -3.771 1.666) 4.476 4.725 ( 1.227 2.423 -3.261) 4.244 4.786 ( -1.628 0.663 0.673) 1.882 4.794 ( -3.079 -2.158 -1.331) 3.989 4.836 ( -7.633 -6.637 -0.300) 10.120 4.916 ( -4.561 6.122 1.867) 7.859 4.999 ( -8.106 5.200 2.144) 9.866 5.164 ( -4.429 1.052 1.637) 4.837 5.229 ( 0.583 -1.202 3.788) 4.016 5.318 ( -0.139 -3.384 -6.129) 7.003 5.524 ( 0.052 -0.214 -2.378) 2.388 5.567 ( 4.480 -5.608 8.295) 10.969 5.787 ( 3.121 3.292 -1.770) 4.870 5.903 ( -1.286 4.990 0.815) 5.217 6.056 ( 6.842 -9.759 -10.267) 15.731 8.173 ( 2.694 5.357 1.539) 6.191 8.299 ( -3.770 1.502 0.951) 4.168 8.413 ( -3.005 2.504 -1.083) 4.059 8.580 ( -3.347 -2.807 -3.407) 5.540 8.683 ( 1.338 4.906 -0.340) 5.097 8.921 ( -7.413 -5.222 2.756) 9.477 9.053 ( 2.395 -3.425 9.568) 10.441 9.328 ( 14.497 0.173 -6.162) 15.753 9.583 ( -0.729 0.134 0.656) 0.989 9.747 ( -4.679 0.786 -2.193) 5.227 9.877 ( 0.736 -2.292 -1.994) 3.126 9.996 ( -5.247 -4.271 -3.336) 7.544 10.203 ( 0.044 -4.666 5.447) 7.172 10.440 ( 0.778 -10.879 1.896) 11.071 10.549 ( -9.152 -2.422 -1.999) 9.676 10.617 ( -5.445 -4.252 -0.456) 6.924 11.349 ( -1.846 10.165 3.226) 10.823 11.432 ( 2.036 0.950 3.571) 4.219 11.573 ( 2.924 -2.559 -2.226) 4.477 11.729 ( 4.743 0.117 -7.789) 9.120 19.243 ( -1.440 1.758 3.947) 4.555 19.334 ( 1.030 -0.082 -2.070) 2.314 19.810 ( 8.482 -3.944 6.461) 11.369 19.874 ( 9.832 -3.051 -1.301) 10.376 20.248 ( -7.905 -1.671 -0.772) 8.116 20.276 ( -2.267 -1.736 0.984) 3.020 20.411 ( -9.642 1.372 2.349) 10.018 20.606 ( -12.250 -6.540 -3.376) 14.291 21.233 ( 1.270 2.920 3.664) 4.854 21.342 ( 1.198 4.405 4.913) 6.706 21.434 ( 0.875 1.616 -3.457) 3.915 21.718 ( -2.785 -4.826 -3.568) 6.616 21.880 ( -0.046 1.983 -0.541) 2.056 21.901 ( -0.759 1.109 -0.426) 1.410 22.364 ( 2.420 10.278 2.678) 10.894 22.561 ( 8.716 8.705 -10.896) 16.446 ======================= Grid point 153 (84/92) ======================= q-point: ( 0.00 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( -1.373 12.378 5.702) 13.698 1.495 ( 1.823 7.938 -0.597) 8.167 1.536 ( -1.585 8.818 6.913) 11.317 1.654 ( 3.288 -0.441 -3.517) 4.835 1.753 ( -3.066 -6.720 2.245) 7.720 1.782 ( 0.083 -5.787 1.452) 5.967 1.968 ( 1.635 -1.173 -2.442) 3.164 2.033 ( 3.065 -5.745 -6.830) 9.437 2.358 ( -0.406 4.602 0.485) 4.645 2.364 ( 0.831 2.546 -0.024) 2.678 2.501 ( 1.744 -1.716 2.264) 3.333 2.545 ( -0.774 -4.642 -1.012) 4.814 2.711 ( -4.712 2.831 2.345) 5.976 2.728 ( -3.285 0.760 1.164) 3.567 2.822 ( 0.962 3.718 2.213) 4.433 2.859 ( 3.891 -1.212 -0.341) 4.089 2.931 ( 1.143 3.232 3.955) 5.234 2.951 ( -1.747 3.502 0.409) 3.935 2.992 ( -1.825 8.393 3.827) 9.403 3.158 ( -1.864 -1.732 -8.292) 8.674 3.390 ( -2.375 3.736 -0.133) 4.429 3.399 ( -1.336 3.932 -0.942) 4.259 3.660 ( 5.600 10.727 5.207) 13.174 3.749 ( -1.101 7.094 -3.899) 8.169 3.778 ( 4.689 1.335 5.915) 7.666 3.852 ( -0.008 -6.516 2.278) 6.903 3.954 ( -0.334 3.157 -1.034) 3.338 4.062 ( -3.599 -4.262 -4.380) 7.093 4.155 ( 1.008 -0.265 3.768) 3.910 4.165 ( 3.367 -1.595 0.534) 3.764 4.291 ( -2.577 0.152 -3.526) 4.370 4.328 ( -1.451 -3.129 -5.761) 6.715 4.485 ( 0.590 -0.544 1.201) 1.444 4.506 ( 2.767 -2.336 -0.866) 3.723 4.692 ( -4.068 3.889 5.724) 8.027 4.747 ( -0.693 -0.692 2.527) 2.710 4.812 ( 1.581 0.942 -2.923) 3.454 4.831 ( 2.533 -0.385 -2.093) 3.308 4.956 ( -7.902 4.565 5.418) 10.613 5.003 ( -0.978 1.195 1.888) 2.439 5.146 ( 2.270 3.415 -2.066) 4.592 5.203 ( 4.056 -2.230 -5.335) 7.063 5.332 ( 2.246 4.452 6.521) 8.209 5.480 ( -2.438 6.820 -8.084) 10.854 5.529 ( 1.275 -13.377 8.932) 16.135 5.708 ( -1.237 -14.951 -9.177) 17.586 5.946 ( 0.209 2.746 0.182) 2.760 5.957 ( 0.798 1.756 -1.054) 2.198 8.282 ( -1.404 2.950 1.499) 3.594 8.295 ( 0.561 2.431 0.262) 2.508 8.422 ( 0.327 -1.166 0.855) 1.483 8.446 ( -0.370 -3.311 -1.298) 3.576 8.743 ( -0.487 3.296 4.355) 5.484 8.800 ( 1.176 -0.225 -0.122) 1.203 9.122 ( -0.782 -0.849 3.421) 3.610 9.253 ( 0.290 -12.174 -8.684) 14.957 9.710 ( 0.465 8.876 3.397) 9.515 9.783 ( -0.432 8.929 -3.794) 9.711 9.845 ( 0.963 -3.682 2.898) 4.784 9.906 ( -0.870 -2.145 -3.453) 4.157 10.241 ( 1.919 0.187 4.348) 4.757 10.297 ( 0.001 -4.842 -0.526) 4.871 10.389 ( 0.573 -2.897 0.160) 2.957 10.414 ( -2.398 -4.485 -1.475) 5.295 11.490 ( -0.022 2.179 2.929) 3.651 11.509 ( -0.021 0.805 5.270) 5.331 11.566 ( -0.210 2.678 -3.579) 4.475 11.645 ( -0.034 -3.703 -7.372) 8.250 19.295 ( -1.156 1.985 3.209) 3.946 19.324 ( -0.387 -0.929 0.599) 1.171 19.886 ( -1.335 0.593 2.607) 2.989 19.936 ( 3.438 -4.216 -2.250) 5.887 20.241 ( 5.166 1.037 1.248) 5.415 20.257 ( -3.443 -0.143 0.101) 3.448 20.288 ( 0.632 -0.061 0.237) 0.678 20.317 ( -2.944 -2.756 -2.122) 4.557 21.351 ( -0.386 3.723 5.599) 6.735 21.415 ( -0.450 -2.943 5.716) 6.444 21.473 ( 0.747 4.317 -4.604) 6.355 21.554 ( -0.098 -4.177 -6.126) 7.415 21.904 ( 0.013 0.915 -0.218) 0.941 21.906 ( -0.166 0.696 -0.388) 0.814 22.581 ( -0.198 6.411 1.086) 6.506 22.640 ( 0.798 0.444 -5.018) 5.101 ======================= Grid point 154 (85/92) ======================= q-point: ( 0.11 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( 2.665 10.591 2.962) 11.315 1.555 ( 3.102 7.983 -0.340) 8.571 1.570 ( 0.932 7.576 2.068) 7.908 1.692 ( 4.871 4.447 -6.496) 9.257 1.731 ( 0.578 -4.632 1.823) 5.011 1.759 ( -3.075 -9.824 1.661) 10.428 1.982 ( 1.673 -2.262 -1.283) 3.092 2.010 ( 0.789 -4.442 -6.489) 7.903 2.369 ( 1.197 4.640 -0.629) 4.833 2.410 ( 1.490 1.509 -0.943) 2.321 2.500 ( -2.037 -0.163 -2.609) 3.314 2.557 ( 1.282 -3.843 1.484) 4.315 2.671 ( -3.349 0.442 4.155) 5.355 2.696 ( -2.871 -1.755 3.964) 5.199 2.829 ( -0.532 1.283 -0.315) 1.424 2.845 ( -1.330 0.705 -2.345) 2.787 2.927 ( 0.607 4.206 0.505) 4.279 2.969 ( -1.340 3.007 0.560) 3.340 3.075 ( 0.251 6.895 5.334) 8.721 3.090 ( 3.423 3.593 0.734) 5.016 3.366 ( 0.679 4.466 2.779) 5.304 3.454 ( 3.897 -0.686 2.773) 4.832 3.646 ( -2.408 12.794 -6.371) 14.494 3.723 ( -3.610 6.823 -2.766) 8.200 3.777 ( -0.589 -2.070 -2.051) 2.973 3.875 ( -0.623 -4.450 -2.454) 5.119 3.957 ( 2.078 5.030 1.629) 5.681 4.055 ( 1.772 -3.652 6.027) 7.267 4.127 ( -1.060 2.781 -3.375) 4.500 4.226 ( 2.430 -5.193 -6.097) 8.369 4.330 ( 4.764 0.981 3.030) 5.731 4.363 ( 4.849 -1.907 3.732) 6.409 4.494 ( 1.231 -0.367 -1.747) 2.168 4.533 ( 3.135 -3.728 -3.188) 5.821 4.704 ( 0.098 2.017 5.513) 5.871 4.749 ( 0.156 -2.572 2.981) 3.940 4.785 ( -1.996 5.104 -1.945) 5.815 4.845 ( 2.402 -1.389 -3.939) 4.818 4.998 ( 4.824 4.401 5.933) 8.823 5.087 ( 2.790 -4.280 7.757) 9.288 5.191 ( 5.652 7.791 -5.456) 11.064 5.256 ( 5.950 2.213 -5.507) 8.404 5.354 ( -1.401 3.817 -6.589) 7.743 5.430 ( 1.124 1.555 6.056) 6.353 5.548 ( -5.123 -13.132 -8.146) 16.281 5.594 ( -3.549 -12.910 8.743) 15.991 5.924 ( -1.283 4.824 -0.940) 5.079 5.974 ( 1.233 -0.103 -1.190) 1.717 8.275 ( -0.838 4.841 0.993) 5.012 8.334 ( 2.267 -0.291 0.463) 2.332 8.455 ( 2.400 0.872 -0.593) 2.621 8.476 ( 4.275 -2.471 0.978) 5.034 8.804 ( 3.236 7.839 1.236) 8.570 8.888 ( 9.147 -0.301 -2.569) 9.506 9.073 ( -8.675 -7.274 5.660) 12.657 9.103 ( -7.182 -9.084 -4.975) 12.604 9.686 ( -2.418 8.104 -0.346) 8.464 9.804 ( 1.256 5.338 0.806) 5.543 9.830 ( -0.417 -1.294 -2.363) 2.726 9.934 ( 3.105 -1.904 1.456) 3.922 10.166 ( -3.956 -1.386 -0.364) 4.207 10.271 ( -2.544 -10.195 -1.287) 10.586 10.504 ( 10.299 1.056 0.887) 10.391 10.545 ( 9.028 -2.878 0.747) 9.505 11.492 ( -2.471 1.946 0.762) 3.236 11.522 ( -3.241 -0.452 0.430) 3.300 11.533 ( -0.687 2.661 0.744) 2.847 11.586 ( 0.231 -2.065 -1.257) 2.429 19.299 ( -1.391 1.452 2.581) 3.272 19.317 ( -0.620 -0.380 0.176) 0.748 19.796 ( -7.985 1.960 0.161) 8.224 19.857 ( -7.148 -4.501 -3.321) 9.076 20.233 ( 3.934 0.605 -0.186) 3.984 20.257 ( 2.518 -1.965 -0.813) 3.296 20.457 ( 12.633 0.469 -0.079) 12.642 20.479 ( 11.782 -1.877 1.422) 12.015 21.358 ( -3.612 2.913 0.388) 4.657 21.394 ( -3.320 0.433 1.919) 3.859 21.466 ( 0.579 2.460 -2.208) 3.356 21.551 ( 3.383 -5.423 0.369) 6.403 21.908 ( 0.671 1.133 0.037) 1.318 21.912 ( 0.926 0.624 0.217) 1.138 22.549 ( -4.791 4.684 1.550) 6.877 22.570 ( -3.834 2.459 -2.597) 5.244 ======================= Grid point 155 (86/92) ======================= q-point: ( 0.22 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( -4.178 8.907 1.270) 9.920 1.578 ( 1.820 5.630 -0.568) 5.944 1.640 ( -0.223 2.572 -2.777) 3.792 1.706 ( 7.173 0.602 -0.126) 7.199 1.753 ( 2.327 0.781 -6.632) 7.071 1.807 ( 4.475 -3.222 -2.364) 5.999 1.942 ( -1.182 0.895 0.946) 1.759 2.013 ( 2.218 -4.303 1.860) 5.186 2.314 ( -6.835 1.441 0.182) 6.988 2.357 ( -6.028 -3.238 -0.640) 6.873 2.447 ( -0.946 7.841 -0.976) 7.958 2.574 ( -0.312 -3.451 -0.422) 3.491 2.660 ( -1.607 1.375 2.860) 3.557 2.671 ( -0.895 0.177 1.677) 1.909 2.799 ( -1.600 2.576 -1.225) 3.270 2.855 ( 0.088 -1.506 -1.485) 2.117 2.923 ( -0.402 3.214 -2.083) 3.851 2.956 ( 0.554 -0.664 2.878) 3.005 3.163 ( 1.438 6.435 6.707) 9.405 3.196 ( 5.464 3.340 1.865) 6.670 3.410 ( 0.754 2.799 -2.094) 3.576 3.443 ( -1.072 0.831 -5.922) 6.075 3.622 ( -1.253 7.879 -2.090) 8.247 3.685 ( 5.163 1.984 2.660) 6.138 3.770 ( 0.665 2.781 1.988) 3.483 3.862 ( 0.074 -3.393 2.496) 4.213 4.044 ( 3.859 6.005 2.266) 7.489 4.080 ( -2.256 2.036 -0.861) 3.159 4.105 ( 1.499 5.191 -1.223) 5.539 4.209 ( 3.039 -6.150 -5.737) 8.942 4.435 ( 4.027 -1.877 -1.898) 4.832 4.445 ( 4.576 -3.747 0.370) 5.926 4.539 ( 1.865 1.752 1.627) 3.032 4.574 ( 3.106 -1.728 -1.473) 3.847 4.720 ( -0.778 3.799 0.725) 3.945 4.808 ( 1.757 -3.136 1.293) 3.820 4.844 ( 6.204 -1.791 2.351) 6.872 4.863 ( 4.850 -1.755 -0.134) 5.160 5.142 ( 3.489 3.793 4.145) 6.614 5.191 ( -0.140 0.814 3.230) 3.334 5.226 ( 2.264 5.893 -1.820) 6.570 5.264 ( 1.954 2.600 0.543) 3.297 5.359 ( 3.792 -4.271 -4.463) 7.248 5.391 ( -1.519 -8.727 -5.027) 10.185 5.497 ( 0.938 2.203 1.718) 2.947 5.618 ( 0.303 -8.516 3.020) 9.041 5.896 ( -0.818 5.325 -0.084) 5.388 5.975 ( 0.545 -2.166 -1.421) 2.647 8.250 ( -2.379 6.570 -0.175) 6.989 8.354 ( -0.777 -3.220 -0.056) 3.313 8.536 ( 5.311 3.347 1.944) 6.572 8.588 ( 5.613 -1.604 2.147) 6.220 8.758 ( -10.190 8.521 0.293) 13.286 8.904 ( -13.285 -5.066 5.939) 15.409 9.020 ( 10.475 0.062 -6.407) 12.279 9.128 ( 13.032 -7.323 -3.837) 15.434 9.660 ( 0.362 5.318 -0.412) 5.346 9.780 ( -0.973 -5.794 -1.036) 5.965 9.852 ( 2.133 6.174 -0.408) 6.545 9.998 ( 1.600 -5.228 1.286) 5.616 10.139 ( -0.080 -0.035 1.674) 1.676 10.238 ( 0.304 -9.489 -0.754) 9.523 10.660 ( 4.503 0.997 -0.127) 4.614 10.695 ( 6.032 -2.366 -0.104) 6.480 11.433 ( -2.061 0.709 -1.660) 2.739 11.460 ( -2.175 -2.075 0.040) 3.006 11.542 ( 0.585 5.115 0.654) 5.189 11.601 ( -0.624 -1.069 2.963) 3.211 19.297 ( -0.988 0.878 1.569) 2.051 19.308 ( -0.473 -0.208 0.017) 0.517 19.648 ( -6.905 1.519 -0.740) 7.109 19.688 ( -6.755 -2.647 -2.921) 7.821 20.336 ( 6.350 0.250 0.099) 6.356 20.357 ( 7.631 -2.026 0.326) 7.902 20.662 ( 10.352 2.419 -1.270) 10.707 20.714 ( 10.755 -3.161 1.027) 11.257 21.263 ( -4.752 3.907 -1.648) 6.369 21.343 ( -2.814 -4.142 0.480) 5.031 21.472 ( 0.290 7.608 0.431) 7.626 21.622 ( 2.589 -8.212 1.305) 8.709 21.934 ( 2.000 1.691 0.230) 2.629 21.943 ( 2.224 0.579 0.189) 2.306 22.440 ( -6.882 4.460 -0.348) 8.208 22.462 ( -7.218 2.328 1.165) 7.673 ======================= Grid point 156 (87/92) ======================= q-point: ( 0.33 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( -1.196 7.675 -0.048) 7.768 1.545 ( -2.405 -2.475 1.610) 3.809 1.619 ( 0.282 7.939 -4.463) 9.112 1.714 ( -2.048 -0.749 -2.607) 3.398 1.760 ( 5.595 3.450 -7.075) 9.657 1.846 ( 3.249 -1.928 -2.523) 4.543 2.035 ( -2.911 1.730 -0.365) 3.406 2.061 ( 0.577 -1.378 4.179) 4.438 2.179 ( -3.660 3.697 3.078) 6.045 2.280 ( -1.762 -5.266 4.134) 6.923 2.433 ( -2.454 4.715 0.461) 5.335 2.508 ( -7.386 -3.081 0.202) 8.005 2.656 ( -1.911 4.150 0.288) 4.578 2.694 ( 3.243 2.928 0.237) 4.376 2.774 ( 2.862 2.304 -1.483) 3.962 2.811 ( 0.693 -0.987 -1.500) 1.925 2.929 ( 2.465 3.722 -1.951) 4.872 3.013 ( 1.200 -4.581 3.839) 6.097 3.205 ( -0.937 2.845 -0.355) 3.016 3.253 ( -0.281 0.272 -0.805) 0.895 3.408 ( -0.803 2.779 1.648) 3.329 3.436 ( 2.877 1.410 3.062) 4.432 3.611 ( 2.131 13.109 -3.296) 13.684 3.739 ( 0.643 -1.748 1.013) 2.120 3.812 ( -3.859 2.826 3.332) 5.829 3.878 ( -1.322 -4.056 5.049) 6.610 4.026 ( -0.435 9.090 -4.455) 10.133 4.080 ( 0.012 3.038 -4.513) 5.441 4.170 ( 6.088 5.185 2.244) 8.306 4.278 ( 6.779 -6.258 -0.835) 9.263 4.473 ( 2.545 0.068 -2.827) 3.805 4.513 ( 1.416 -3.892 -2.290) 4.733 4.559 ( 1.128 0.697 1.231) 1.809 4.616 ( 2.707 -4.883 0.844) 5.647 4.768 ( 4.328 3.425 1.815) 5.810 4.842 ( 3.023 -3.474 -0.601) 4.645 4.977 ( 4.570 -0.170 1.568) 4.834 4.987 ( 6.309 -0.593 0.868) 6.396 5.153 ( -2.669 2.501 1.726) 4.044 5.208 ( -1.875 -0.976 3.324) 3.939 5.246 ( 1.494 3.267 -1.034) 3.739 5.311 ( 1.380 1.556 -0.297) 2.101 5.361 ( -0.261 -4.593 2.034) 5.030 5.410 ( 3.975 -4.430 -0.619) 5.984 5.528 ( 2.737 3.495 -3.339) 5.555 5.629 ( 0.851 -5.814 -4.825) 7.603 5.904 ( 1.338 4.690 1.266) 5.039 5.981 ( 0.355 -2.757 0.888) 2.918 8.198 ( -2.724 6.299 0.232) 6.867 8.304 ( -3.942 -4.376 -0.602) 5.920 8.568 ( -6.750 9.084 0.626) 11.334 8.673 ( 3.071 2.453 5.154) 6.482 8.693 ( -5.390 -1.566 2.757) 6.253 8.730 ( -1.362 -3.814 3.784) 5.543 9.178 ( 11.599 5.261 -7.108) 14.585 9.301 ( 10.038 -4.669 -8.230) 13.794 9.703 ( 4.253 1.132 0.381) 4.417 9.776 ( 1.492 -5.221 -0.174) 5.433 9.900 ( 2.740 -0.974 1.283) 3.178 10.002 ( -0.618 -8.512 -1.534) 8.671 10.172 ( 0.462 4.054 3.628) 5.460 10.279 ( 3.021 -6.263 2.759) 7.481 10.647 ( -4.580 2.667 -1.542) 5.520 10.730 ( -1.562 -5.565 -1.702) 6.025 11.424 ( 2.202 1.615 -0.526) 2.781 11.452 ( 0.685 -0.853 0.696) 1.296 11.564 ( 1.380 3.758 -0.165) 4.007 11.609 ( -0.828 -0.524 1.352) 1.670 19.295 ( -0.595 0.465 1.082) 1.320 19.302 ( -0.139 -0.192 -0.053) 0.243 19.539 ( -4.017 1.062 -0.568) 4.194 19.565 ( -3.901 -1.537 -1.995) 4.643 20.462 ( 6.574 1.183 0.447) 6.694 20.502 ( 6.823 -3.010 0.638) 7.485 20.810 ( 6.356 3.270 -0.748) 7.187 20.861 ( 4.267 -2.366 0.028) 4.880 21.175 ( -3.263 6.814 0.074) 7.556 21.321 ( 0.146 -7.916 -0.100) 7.918 21.472 ( -0.747 8.892 1.118) 8.993 21.658 ( 0.843 -10.172 -0.949) 10.251 21.987 ( 3.531 2.262 0.112) 4.195 21.999 ( 3.729 0.903 -0.059) 3.837 22.306 ( -7.113 4.051 0.055) 8.186 22.330 ( -7.930 1.791 1.139) 8.209 ======================= Grid point 157 (88/92) ======================= q-point: ( 0.44 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( 4.126 7.380 2.804) 8.908 1.578 ( 2.265 -2.862 4.883) 6.097 1.616 ( 1.824 4.720 0.511) 5.086 1.671 ( -0.735 -1.393 -1.204) 1.983 1.754 ( -1.929 4.835 -5.455) 7.540 1.827 ( -0.193 -1.881 -6.350) 6.626 1.931 ( -3.886 1.689 -1.646) 4.546 1.955 ( -5.814 -0.859 -1.125) 5.984 2.202 ( -3.532 1.219 0.641) 3.791 2.236 ( -5.710 -2.247 -0.486) 6.155 2.426 ( 2.801 2.153 1.453) 3.820 2.449 ( 2.389 0.007 2.438) 3.413 2.679 ( 0.553 5.440 2.109) 5.860 2.727 ( 0.394 3.393 -0.199) 3.421 2.794 ( -0.070 1.329 -0.543) 1.437 2.831 ( 0.722 -0.371 -3.540) 3.632 3.010 ( 5.580 6.564 3.723) 9.385 3.111 ( 2.919 -1.267 4.131) 5.215 3.186 ( 0.565 -2.845 0.971) 3.059 3.202 ( -0.735 -4.488 -2.761) 5.320 3.438 ( -1.389 6.608 6.597) 9.440 3.487 ( -0.189 2.803 3.098) 4.183 3.608 ( 1.049 7.815 -5.340) 9.523 3.674 ( -6.607 2.676 -2.413) 7.525 3.816 ( -0.187 5.510 4.379) 7.040 3.882 ( -0.025 -0.860 2.719) 2.851 3.991 ( -0.267 3.084 -2.872) 4.223 4.038 ( 0.528 -0.674 -4.494) 4.575 4.295 ( 3.944 3.414 3.102) 6.069 4.363 ( 2.740 -2.982 -0.237) 4.057 4.442 ( -1.745 0.025 -3.042) 3.507 4.464 ( -2.194 -2.639 -3.505) 4.905 4.646 ( 4.964 1.818 3.307) 6.236 4.724 ( 5.227 -5.575 1.618) 7.812 4.851 ( 1.589 0.887 1.278) 2.224 4.887 ( 1.141 -2.532 -0.830) 2.899 5.025 ( 0.632 4.565 0.153) 4.611 5.071 ( 1.091 1.101 -1.438) 2.114 5.131 ( -0.733 -1.895 2.958) 3.589 5.174 ( -3.241 -4.225 2.361) 5.825 5.277 ( 1.886 3.101 -0.332) 3.645 5.312 ( -0.027 0.785 -0.093) 0.791 5.413 ( 4.394 1.854 -1.461) 4.988 5.451 ( -0.413 -1.044 -0.391) 1.189 5.524 ( -2.006 -1.874 0.474) 2.786 5.574 ( 1.359 -6.117 -6.311) 8.893 5.959 ( 2.876 2.434 0.624) 3.820 5.987 ( -1.043 -0.467 1.117) 1.598 8.171 ( -0.641 4.328 1.269) 4.555 8.226 ( -2.880 -0.870 -0.787) 3.110 8.502 ( -1.343 3.702 1.372) 4.170 8.556 ( -6.150 -1.721 1.265) 6.511 8.786 ( 2.566 2.995 4.415) 5.920 8.804 ( 0.249 1.562 4.758) 5.014 9.270 ( 5.877 2.948 -7.503) 9.976 9.323 ( 2.014 -1.435 -8.605) 8.953 9.789 ( 3.389 -2.003 0.991) 4.059 9.827 ( 1.954 -4.662 0.908) 5.136 9.936 ( 0.026 -3.195 0.073) 3.196 9.986 ( 0.504 -7.025 -2.007) 7.324 10.253 ( 4.354 5.000 5.542) 8.642 10.387 ( 3.657 -7.752 5.773) 10.334 10.502 ( -6.952 4.945 -3.296) 9.146 10.632 ( -4.737 -7.747 -4.188) 9.999 11.465 ( 0.081 2.145 1.833) 2.823 11.478 ( 0.856 1.127 0.653) 1.559 11.584 ( 0.811 1.651 -0.320) 1.867 11.603 ( 0.839 0.009 -1.487) 1.707 19.292 ( -1.204 0.506 1.527) 2.009 19.302 ( 0.138 -0.474 -0.017) 0.494 19.488 ( -0.930 0.697 -0.519) 1.273 19.504 ( -0.780 -0.904 -1.647) 2.034 20.568 ( 3.521 0.872 0.763) 3.707 20.597 ( 2.476 -2.165 -0.064) 3.289 20.876 ( 1.796 0.929 -0.349) 2.051 20.890 ( -0.043 -0.657 -0.191) 0.686 21.167 ( 0.635 9.323 2.966) 9.804 21.302 ( -1.888 -0.516 -2.431) 3.121 21.496 ( 1.431 -0.217 3.084) 3.406 21.634 ( -0.786 -10.506 -3.417) 11.075 22.063 ( 4.381 2.907 -0.180) 5.261 22.075 ( 3.908 1.728 -0.217) 4.279 22.190 ( -4.913 2.770 0.349) 5.651 22.205 ( -5.944 1.432 0.545) 6.138 ======================= Grid point 158 (89/92) ======================= q-point: (-0.44 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( -7.863 5.841 0.161) 9.796 1.577 ( -3.420 0.145 5.194) 6.220 1.638 ( -2.939 2.174 -2.625) 4.501 1.669 ( -0.269 -0.895 -1.108) 1.449 1.735 ( 1.709 1.872 -3.501) 4.322 1.753 ( 6.043 -0.274 0.587) 6.078 1.905 ( 2.243 2.254 0.907) 3.307 1.941 ( 4.341 -1.422 0.144) 4.570 2.187 ( 2.423 0.988 1.534) 3.034 2.213 ( 4.371 -1.503 1.151) 4.763 2.471 ( -0.820 2.889 -2.328) 3.799 2.489 ( 1.284 0.975 -1.071) 1.936 2.691 ( -0.741 6.419 2.147) 6.809 2.731 ( 0.851 4.730 -1.786) 5.128 2.774 ( -1.935 -1.346 2.245) 3.255 2.796 ( -1.660 -1.056 -1.232) 2.321 3.022 ( -7.110 6.775 1.881) 10.000 3.152 ( -0.687 -2.758 0.804) 2.953 3.191 ( 1.969 -0.650 -2.013) 2.890 3.238 ( 0.178 -2.398 -2.674) 3.596 3.461 ( -2.125 4.645 6.731) 8.450 3.518 ( -2.304 4.111 0.279) 4.721 3.562 ( 0.736 3.814 -2.108) 4.420 3.621 ( 6.458 3.683 0.657) 7.464 3.854 ( -0.819 6.018 3.460) 6.990 3.914 ( 1.649 1.567 -3.603) 4.261 3.934 ( -3.473 2.861 3.382) 5.629 4.012 ( 0.288 -3.046 -2.836) 4.172 4.339 ( -3.433 1.678 0.046) 3.821 4.370 ( -2.833 -1.321 -0.133) 3.129 4.409 ( 2.032 -0.419 -0.801) 2.224 4.423 ( 2.158 -2.727 -0.512) 3.515 4.709 ( -4.079 0.258 -0.458) 4.112 4.732 ( -3.099 -1.618 -1.331) 3.741 4.873 ( 1.006 -0.770 0.727) 1.461 4.878 ( -0.705 -1.083 -0.909) 1.580 5.012 ( -2.950 3.936 1.029) 5.025 5.043 ( -2.037 1.911 0.707) 2.881 5.141 ( -0.138 -1.088 2.606) 2.827 5.205 ( 2.820 -5.109 0.979) 5.917 5.289 ( -0.282 3.508 -0.812) 3.612 5.310 ( 0.871 1.475 -2.064) 2.682 5.388 ( -3.234 -1.068 0.009) 3.406 5.433 ( -5.482 -4.335 2.978) 7.597 5.496 ( 1.492 1.630 -0.697) 2.317 5.579 ( 2.219 -5.953 -3.678) 7.341 5.966 ( -1.547 3.304 -0.012) 3.648 6.007 ( 2.022 -0.897 -0.775) 2.344 8.187 ( 0.249 3.122 0.138) 3.135 8.213 ( 3.015 0.928 0.040) 3.155 8.506 ( -0.224 2.436 0.899) 2.606 8.548 ( 4.825 -1.268 1.888) 5.334 8.812 ( -3.386 4.399 2.770) 6.204 8.840 ( -0.840 1.834 2.420) 3.151 9.236 ( -3.643 0.374 -4.969) 6.173 9.264 ( -0.221 -1.803 -3.981) 4.376 9.792 ( -4.784 -2.541 0.758) 5.470 9.833 ( -1.276 -6.173 0.400) 6.317 9.947 ( -0.214 -2.066 -0.583) 2.158 9.966 ( 0.867 -4.558 -0.786) 4.706 10.302 ( -6.673 7.381 2.279) 10.208 10.454 ( 0.224 1.029 -1.604) 1.919 10.488 ( 4.908 -7.910 0.657) 9.332 10.559 ( 5.105 -6.286 -0.276) 8.102 11.448 ( -3.952 2.605 2.438) 5.324 11.473 ( -2.735 0.213 1.723) 3.239 11.585 ( 0.407 2.926 -1.083) 3.147 11.623 ( 2.804 -0.717 -2.211) 3.642 19.280 ( -1.776 1.096 1.851) 2.789 19.302 ( -0.474 -1.188 0.631) 1.426 19.493 ( 1.981 0.484 -0.805) 2.193 19.504 ( 2.544 -0.636 -1.689) 3.119 20.580 ( -3.770 0.003 -0.367) 3.788 20.587 ( -2.411 -0.795 0.851) 2.677 20.881 ( -0.563 0.726 -0.834) 1.241 20.896 ( 0.918 -0.891 -0.842) 1.531 21.189 ( -3.775 8.128 2.233) 9.236 21.255 ( 0.925 3.678 0.523) 3.828 21.542 ( -1.125 -5.122 1.066) 5.351 21.597 ( 2.151 -8.555 -2.178) 9.086 22.058 ( -4.241 2.876 0.242) 5.130 22.070 ( -4.161 1.646 0.192) 4.479 22.192 ( 5.262 3.690 0.047) 6.427 22.223 ( 6.925 0.540 -0.968) 7.014 ======================= Grid point 159 (90/92) ======================= q-point: (-0.33 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( -3.227 10.660 2.318) 11.376 1.542 ( -1.965 -1.407 2.796) 3.696 1.609 ( -2.620 1.936 -1.633) 3.644 1.614 ( -1.277 1.669 2.967) 3.636 1.717 ( -0.866 2.622 -1.133) 2.985 1.809 ( -0.930 -3.780 0.358) 3.909 2.014 ( 5.643 3.379 1.502) 6.746 2.091 ( 7.375 -4.305 0.519) 8.555 2.262 ( 0.631 3.793 -2.890) 4.810 2.321 ( 4.075 -2.544 0.049) 4.804 2.458 ( 2.216 5.744 -3.044) 6.868 2.506 ( 8.427 -0.079 0.079) 8.428 2.663 ( -1.499 5.652 -1.180) 5.965 2.706 ( -3.519 3.144 -0.850) 4.795 2.750 ( -4.415 -0.281 1.644) 4.719 2.773 ( -0.911 -2.070 3.105) 3.841 2.898 ( -4.812 6.912 0.410) 8.432 3.076 ( -3.673 -9.424 -0.566) 10.130 3.206 ( -0.716 1.451 -0.174) 1.628 3.225 ( 2.336 0.276 -1.332) 2.703 3.442 ( -5.484 7.056 1.104) 9.004 3.485 ( -3.279 9.566 -0.181) 10.114 3.570 ( 0.999 4.671 -1.666) 5.058 3.706 ( -1.106 -3.825 3.827) 5.523 3.876 ( 1.539 2.796 -0.209) 3.198 3.924 ( 4.275 3.071 0.212) 5.267 3.948 ( -0.346 1.110 2.952) 3.173 4.010 ( 1.865 -0.914 -0.398) 2.115 4.219 ( -7.609 3.467 -2.260) 8.661 4.283 ( -6.439 -2.637 -0.679) 6.991 4.434 ( -0.119 0.734 0.767) 1.068 4.471 ( 0.388 -3.218 1.527) 3.583 4.598 ( -2.746 0.413 -2.591) 3.798 4.633 ( -4.927 -3.820 -0.837) 6.290 4.809 ( -3.779 2.037 -1.472) 4.539 4.849 ( -2.622 -1.722 -1.962) 3.700 4.975 ( -4.492 2.690 1.444) 5.431 4.994 ( -4.072 -0.581 0.586) 4.154 5.168 ( -0.445 3.476 1.513) 3.817 5.241 ( -2.046 -0.463 -1.085) 2.362 5.255 ( -1.932 0.294 1.785) 2.647 5.288 ( 1.381 4.805 -1.204) 5.142 5.352 ( -5.524 -2.559 3.710) 7.129 5.409 ( 4.621 -5.432 -2.462) 7.545 5.518 ( -2.135 -2.886 1.234) 3.797 5.555 ( 1.031 -4.967 -0.790) 5.134 5.935 ( -0.766 5.222 -1.630) 5.524 6.013 ( 0.087 -2.657 -1.911) 3.274 8.203 ( 1.578 5.282 -0.221) 5.517 8.288 ( 3.481 -3.364 0.912) 4.926 8.567 ( 5.664 9.123 0.925) 10.778 8.698 ( 4.715 -1.012 0.642) 4.865 8.749 ( -0.830 1.007 0.672) 1.468 8.797 ( -3.629 -0.910 -1.219) 3.935 9.099 ( -7.413 2.570 -1.193) 7.936 9.188 ( -6.786 -5.611 1.464) 8.926 9.700 ( -4.828 0.869 0.440) 4.925 9.777 ( -2.798 -5.636 -0.306) 6.299 9.932 ( -2.765 -3.878 -1.481) 4.988 9.976 ( 2.195 -7.202 0.673) 7.559 10.223 ( -2.515 8.542 -0.558) 8.922 10.343 ( -4.804 -3.650 -3.613) 7.032 10.626 ( 5.313 -0.366 0.136) 5.327 10.682 ( 3.345 -6.093 3.036) 7.585 11.386 ( -4.349 2.382 2.581) 5.590 11.428 ( -3.630 -1.909 2.465) 4.786 11.584 ( 1.015 5.609 -1.705) 5.949 11.657 ( 3.317 -1.800 -2.527) 4.542 19.268 ( -1.661 1.584 2.366) 3.296 19.299 ( -0.694 -1.680 1.222) 2.190 19.542 ( 4.150 0.978 -0.783) 4.335 19.563 ( 5.522 -1.262 -1.720) 5.920 20.473 ( -6.639 1.147 -0.554) 6.760 20.508 ( -6.409 -2.478 0.203) 6.875 20.811 ( -6.730 3.524 -0.868) 7.646 20.868 ( -3.884 -2.613 -0.572) 4.716 21.166 ( 0.957 6.600 0.905) 6.730 21.280 ( -1.057 -3.165 3.204) 4.627 21.518 ( 0.959 2.414 -2.526) 3.623 21.639 ( 1.511 -8.481 0.672) 8.640 21.987 ( -3.361 2.146 0.111) 3.990 21.996 ( -3.577 1.128 0.192) 3.755 22.311 ( 7.171 5.397 -0.380) 8.984 22.364 ( 9.384 0.067 -1.873) 9.569 ======================= Grid point 160 (91/92) ======================= q-point: (-0.22 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( -1.966 12.859 6.279) 14.444 1.551 ( -5.131 10.560 6.395) 13.369 1.562 ( -0.200 2.279 1.308) 2.635 1.643 ( 2.645 -2.966 1.047) 4.110 1.726 ( -0.260 -3.767 0.096) 3.777 1.756 ( -2.779 -5.629 0.919) 6.345 2.041 ( -3.412 0.048 -2.417) 4.182 2.052 ( -2.335 0.369 -6.020) 6.468 2.325 ( 7.629 2.682 -0.955) 8.142 2.385 ( 4.506 -1.898 -2.328) 5.415 2.449 ( -1.795 6.079 -1.122) 6.437 2.564 ( -2.912 -1.522 -0.367) 3.306 2.677 ( 0.427 2.409 1.448) 2.843 2.688 ( -0.912 -0.295 0.263) 0.994 2.758 ( 7.318 3.517 2.367) 8.457 2.821 ( 2.865 -1.482 2.334) 3.982 2.859 ( -2.036 7.787 3.328) 8.709 3.010 ( -2.656 -6.493 -1.999) 7.294 3.221 ( 1.092 2.981 1.591) 3.551 3.229 ( -5.447 4.565 -0.473) 7.123 3.324 ( -2.128 5.845 4.539) 7.700 3.397 ( -3.529 0.758 -1.916) 4.087 3.587 ( 0.969 7.262 0.412) 7.338 3.695 ( -2.031 -3.237 1.362) 4.057 3.855 ( -5.629 2.179 -4.221) 7.365 3.899 ( -3.078 -0.057 -1.505) 3.427 4.022 ( 0.919 2.825 2.600) 3.947 4.088 ( 0.300 1.551 1.395) 2.108 4.099 ( 1.404 1.696 0.317) 2.224 4.141 ( -3.176 -3.129 -0.730) 4.518 4.410 ( -1.881 0.030 -0.277) 1.901 4.447 ( -3.711 -3.980 -0.068) 5.442 4.544 ( -2.563 1.120 1.066) 2.993 4.572 ( -2.163 -0.407 -0.926) 2.388 4.751 ( -0.758 2.007 -1.418) 2.571 4.810 ( -0.821 -2.207 -0.092) 2.356 4.877 ( -5.644 -0.188 -0.425) 5.663 4.879 ( -6.591 -1.532 -1.148) 6.863 5.139 ( -4.915 7.334 2.320) 9.129 5.202 ( -0.404 1.344 0.158) 1.412 5.238 ( -4.330 -2.175 2.542) 5.472 5.253 ( -3.407 -0.585 2.281) 4.142 5.294 ( -2.913 2.986 -2.353) 4.789 5.397 ( -3.188 -5.501 -4.045) 7.536 5.510 ( 3.601 2.255 0.946) 4.353 5.649 ( 6.997 -9.675 -0.725) 11.962 5.918 ( 1.054 3.591 -1.821) 4.162 5.982 ( -0.755 -2.443 -2.240) 3.400 8.237 ( 1.558 6.076 0.924) 6.340 8.336 ( 0.161 -3.829 1.533) 4.127 8.583 ( -6.111 4.712 -2.667) 8.165 8.637 ( -5.459 0.066 -2.119) 5.857 8.752 ( 5.230 6.652 1.833) 8.658 8.874 ( -5.340 -4.565 5.744) 9.075 9.036 ( 10.526 -2.491 -5.266) 12.031 9.058 ( -7.244 -4.004 2.080) 8.534 9.647 ( -1.325 3.866 0.570) 4.126 9.755 ( 0.094 -6.448 1.122) 6.546 9.872 ( -1.728 3.551 -1.635) 4.274 10.011 ( 0.656 -8.357 -0.276) 8.388 10.178 ( -1.812 2.901 -1.168) 3.614 10.238 ( -2.994 -4.171 -1.366) 5.313 10.652 ( -3.336 0.010 0.702) 3.409 10.684 ( -5.391 -3.234 1.045) 6.373 11.374 ( 0.209 1.557 3.410) 3.755 11.414 ( -0.455 -2.389 2.974) 3.842 11.590 ( 1.900 6.874 -2.808) 7.664 11.690 ( 3.679 -3.116 -4.455) 6.564 19.268 ( -1.170 1.903 2.990) 3.732 19.304 ( -0.246 -1.835 1.597) 2.445 19.635 ( 6.337 1.474 0.377) 6.517 19.672 ( 7.893 -2.202 -1.527) 8.336 20.343 ( -6.409 0.612 -0.528) 6.460 20.369 ( -7.821 -2.269 -0.682) 8.172 20.643 ( -10.514 4.524 0.673) 11.466 20.730 ( -10.080 -4.838 -0.606) 11.198 21.221 ( 2.668 4.058 2.127) 5.302 21.298 ( -0.067 -3.391 3.528) 4.894 21.521 ( 1.728 5.830 -3.094) 6.822 21.650 ( -0.094 -7.428 -1.171) 7.521 21.938 ( -1.813 1.611 -0.196) 2.433 21.946 ( -1.971 0.776 -0.042) 2.119 22.438 ( 6.721 6.997 -0.468) 9.714 22.518 ( 9.526 -0.921 -3.564) 10.212 ======================= Grid point 161 (92/92) ======================= q-point: (-0.11 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( -4.276 12.988 6.523) 15.150 1.527 ( -4.878 7.847 5.687) 10.850 1.534 ( -5.523 6.705 3.605) 9.405 1.643 ( -0.330 2.975 -1.206) 3.227 1.728 ( 3.256 -4.516 1.805) 5.853 1.782 ( -0.379 -10.879 -0.001) 10.886 1.961 ( 0.783 -0.306 -2.514) 2.651 2.030 ( 2.926 -4.734 -4.347) 7.061 2.380 ( -0.987 2.857 1.193) 3.250 2.389 ( -1.823 3.848 -3.108) 5.272 2.447 ( 1.889 2.122 2.268) 3.636 2.553 ( -0.675 -4.374 1.853) 4.798 2.719 ( 1.716 3.949 5.274) 6.809 2.748 ( 4.425 -0.415 3.013) 5.369 2.792 ( -2.112 -0.544 -0.998) 2.399 2.806 ( -1.459 -0.535 -2.563) 2.997 2.896 ( -1.720 7.416 1.557) 7.771 2.977 ( 0.110 4.884 -0.313) 4.895 3.075 ( -6.893 6.086 -0.954) 9.245 3.234 ( 1.909 0.181 -5.823) 6.130 3.382 ( 0.711 2.830 1.738) 3.397 3.456 ( 5.468 -0.657 4.834) 7.328 3.553 ( -5.410 5.781 0.053) 7.917 3.645 ( -0.787 -0.732 3.787) 3.936 3.757 ( -0.389 4.412 0.744) 4.492 3.837 ( -1.156 -3.008 -0.661) 3.290 4.040 ( -0.053 2.214 2.634) 3.441 4.046 ( -1.867 6.210 -3.122) 7.197 4.099 ( -0.421 -1.819 2.775) 3.345 4.203 ( 2.351 -3.680 -4.689) 6.408 4.358 ( -2.156 1.973 0.142) 2.926 4.420 ( 0.386 -4.237 -0.385) 4.271 4.480 ( -4.198 1.322 -1.815) 4.761 4.517 ( -2.590 -2.629 -1.078) 3.845 4.720 ( -4.276 -0.002 1.586) 4.561 4.744 ( -2.888 -1.909 3.052) 4.615 4.812 ( 0.306 1.684 -1.505) 2.279 4.825 ( 0.049 0.286 -1.668) 1.693 5.059 ( -6.715 7.645 4.177) 10.999 5.106 ( -8.877 5.235 -0.272) 10.310 5.176 ( -3.824 -0.824 0.150) 3.915 5.230 ( -2.179 -0.950 -1.352) 2.735 5.243 ( 2.022 0.172 -0.096) 2.032 5.399 ( 3.263 -10.603 5.966) 12.596 5.554 ( 2.201 5.350 -5.308) 7.851 5.744 ( 5.419 -11.857 -5.778) 14.260 5.928 ( 1.590 1.871 -1.656) 2.962 5.961 ( -0.083 0.047 -0.364) 0.376 8.270 ( 0.601 4.679 1.393) 4.919 8.324 ( -2.711 -0.166 1.379) 3.046 8.457 ( -4.295 2.182 -1.023) 4.925 8.508 ( -4.667 -3.499 -2.000) 6.167 8.762 ( -5.617 2.418 3.715) 7.155 8.820 ( -5.280 -4.553 5.875) 9.117 9.051 ( 5.856 5.337 -1.517) 8.067 9.222 ( 11.311 -10.192 -7.190) 16.837 9.659 ( 1.230 6.696 1.688) 7.014 9.791 ( 1.702 -5.885 1.911) 6.417 9.835 ( -0.775 8.414 -2.073) 8.700 9.975 ( -2.606 -3.386 -2.472) 4.936 10.153 ( 0.912 0.333 0.724) 1.211 10.235 ( 1.987 -8.692 2.172) 9.177 10.522 ( -9.381 -0.075 -0.807) 9.416 10.551 ( -8.448 -2.842 0.265) 8.917 11.440 ( 1.944 0.563 4.180) 4.645 11.453 ( 0.867 0.101 3.156) 3.274 11.591 ( 1.611 5.611 -3.995) 7.074 11.694 ( 2.477 -4.050 -6.870) 8.351 19.281 ( -0.891 2.125 3.324) 4.044 19.318 ( 0.017 -1.609 1.279) 2.056 19.782 ( 7.405 0.723 2.487) 7.844 19.819 ( 8.949 -2.768 -1.165) 9.440 20.236 ( -4.741 0.168 -0.474) 4.768 20.249 ( -2.718 -1.128 0.060) 2.943 20.449 ( -10.921 2.518 0.577) 11.222 20.509 ( -11.971 -4.013 -1.247) 12.687 21.292 ( 1.519 3.280 4.043) 5.423 21.348 ( 0.817 -2.335 5.140) 5.704 21.509 ( 0.908 5.433 -4.479) 7.099 21.616 ( -0.849 -5.763 -3.809) 6.960 21.913 ( -0.638 1.229 -0.468) 1.461 21.919 ( -0.808 0.573 -0.419) 1.076 22.539 ( 4.126 7.553 -0.037) 8.607 22.626 ( 6.286 -1.185 -5.210) 8.250 =================== 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 3/26460 10.0 196.065 345.374 222.351 0.000 -9.762 0.000 3/26460 20.0 25.301 53.269 31.473 0.000 -2.316 0.000 3/26460 30.0 9.588 20.046 11.557 0.000 -0.909 0.000 3/26460 40.0 5.406 11.005 6.319 0.000 -0.505 0.000 3/26460 50.0 3.702 7.342 4.221 0.000 -0.342 0.000 3/26460 60.0 2.825 5.474 3.156 0.000 -0.259 0.000 3/26460 70.0 2.299 4.371 2.526 0.000 -0.210 0.000 3/26460 80.0 1.950 3.650 2.114 0.000 -0.177 0.000 3/26460 90.0 1.701 3.146 1.823 0.000 -0.153 0.000 3/26460 100.0 1.515 2.772 1.607 0.000 -0.135 0.000 3/26460 110.0 1.370 2.486 1.440 0.000 -0.121 0.000 3/26460 120.0 1.254 2.258 1.307 0.000 -0.110 0.000 3/26460 130.0 1.158 2.072 1.199 0.000 -0.101 0.000 3/26460 140.0 1.079 1.918 1.108 0.000 -0.093 0.000 3/26460 150.0 1.011 1.787 1.031 0.000 -0.087 0.000 3/26460 160.0 0.954 1.675 0.965 0.000 -0.081 0.000 3/26460 170.0 0.903 1.577 0.908 0.000 -0.077 0.000 3/26460 180.0 0.859 1.492 0.857 0.000 -0.072 0.000 3/26460 190.0 0.820 1.416 0.813 0.000 -0.069 0.000 3/26460 200.0 0.786 1.348 0.773 0.000 -0.065 0.000 3/26460 210.0 0.754 1.287 0.737 0.000 -0.062 0.000 3/26460 220.0 0.726 1.231 0.705 0.000 -0.060 0.000 3/26460 230.0 0.700 1.181 0.676 0.000 -0.057 0.000 3/26460 240.0 0.676 1.135 0.649 0.000 -0.055 0.000 3/26460 250.0 0.654 1.093 0.624 0.000 -0.053 0.000 3/26460 260.0 0.634 1.054 0.601 0.000 -0.051 0.000 3/26460 270.0 0.615 1.017 0.580 0.000 -0.050 0.000 3/26460 280.0 0.598 0.984 0.561 0.000 -0.048 0.000 3/26460 290.0 0.581 0.952 0.543 0.000 -0.047 0.000 3/26460 300.0 0.565 0.923 0.526 0.000 -0.045 0.000 3/26460 310.0 0.551 0.895 0.510 0.000 -0.044 0.000 3/26460 320.0 0.537 0.869 0.495 0.000 -0.043 0.000 3/26460 330.0 0.524 0.845 0.481 0.000 -0.041 0.000 3/26460 340.0 0.511 0.822 0.467 0.000 -0.040 0.000 3/26460 350.0 0.499 0.800 0.455 0.000 -0.039 0.000 3/26460 360.0 0.488 0.780 0.443 0.000 -0.038 0.000 3/26460 370.0 0.477 0.760 0.432 0.000 -0.037 0.000 3/26460 380.0 0.466 0.741 0.421 0.000 -0.037 0.000 3/26460 390.0 0.457 0.724 0.411 0.000 -0.036 0.000 3/26460 400.0 0.447 0.707 0.401 0.000 -0.035 0.000 3/26460 410.0 0.438 0.691 0.392 0.000 -0.034 0.000 3/26460 420.0 0.429 0.675 0.383 0.000 -0.033 0.000 3/26460 430.0 0.421 0.661 0.375 0.000 -0.033 0.000 3/26460 440.0 0.413 0.647 0.367 0.000 -0.032 0.000 3/26460 450.0 0.405 0.633 0.359 0.000 -0.031 0.000 3/26460 460.0 0.397 0.620 0.351 0.000 -0.031 0.000 3/26460 470.0 0.390 0.608 0.344 0.000 -0.030 0.000 3/26460 480.0 0.383 0.596 0.338 0.000 -0.030 0.000 3/26460 490.0 0.376 0.584 0.331 0.000 -0.029 0.000 3/26460 500.0 0.370 0.573 0.325 0.000 -0.029 0.000 3/26460 510.0 0.363 0.563 0.319 0.000 -0.028 0.000 3/26460 520.0 0.357 0.553 0.313 0.000 -0.028 0.000 3/26460 530.0 0.351 0.543 0.307 0.000 -0.027 0.000 3/26460 540.0 0.345 0.533 0.302 0.000 -0.027 0.000 3/26460 550.0 0.340 0.524 0.296 0.000 -0.026 0.000 3/26460 560.0 0.335 0.515 0.291 0.000 -0.026 0.000 3/26460 570.0 0.329 0.506 0.286 0.000 -0.025 0.000 3/26460 580.0 0.324 0.498 0.282 0.000 -0.025 0.000 3/26460 590.0 0.319 0.490 0.277 0.000 -0.024 0.000 3/26460 600.0 0.315 0.482 0.273 0.000 -0.024 0.000 3/26460 610.0 0.310 0.475 0.268 0.000 -0.024 0.000 3/26460 620.0 0.305 0.467 0.264 0.000 -0.023 0.000 3/26460 630.0 0.301 0.460 0.260 0.000 -0.023 0.000 3/26460 640.0 0.297 0.453 0.256 0.000 -0.023 0.000 3/26460 650.0 0.293 0.447 0.252 0.000 -0.022 0.000 3/26460 660.0 0.289 0.440 0.249 0.000 -0.022 0.000 3/26460 670.0 0.285 0.434 0.245 0.000 -0.022 0.000 3/26460 680.0 0.281 0.428 0.242 0.000 -0.021 0.000 3/26460 690.0 0.277 0.422 0.238 0.000 -0.021 0.000 3/26460 700.0 0.273 0.416 0.235 0.000 -0.021 0.000 3/26460 710.0 0.270 0.410 0.232 0.000 -0.021 0.000 3/26460 720.0 0.266 0.405 0.229 0.000 -0.020 0.000 3/26460 730.0 0.263 0.399 0.226 0.000 -0.020 0.000 3/26460 740.0 0.260 0.394 0.223 0.000 -0.020 0.000 3/26460 750.0 0.257 0.389 0.220 0.000 -0.020 0.000 3/26460 760.0 0.253 0.384 0.217 0.000 -0.019 0.000 3/26460 770.0 0.250 0.379 0.214 0.000 -0.019 0.000 3/26460 780.0 0.247 0.375 0.212 0.000 -0.019 0.000 3/26460 790.0 0.244 0.370 0.209 0.000 -0.019 0.000 3/26460 800.0 0.242 0.365 0.206 0.000 -0.018 0.000 3/26460 810.0 0.239 0.361 0.204 0.000 -0.018 0.000 3/26460 820.0 0.236 0.357 0.202 0.000 -0.018 0.000 3/26460 830.0 0.233 0.353 0.199 0.000 -0.018 0.000 3/26460 840.0 0.231 0.349 0.197 0.000 -0.018 0.000 3/26460 850.0 0.228 0.345 0.195 0.000 -0.017 0.000 3/26460 860.0 0.226 0.341 0.192 0.000 -0.017 0.000 3/26460 870.0 0.223 0.337 0.190 0.000 -0.017 0.000 3/26460 880.0 0.221 0.333 0.188 0.000 -0.017 0.000 3/26460 890.0 0.219 0.329 0.186 0.000 -0.017 0.000 3/26460 900.0 0.216 0.326 0.184 0.000 -0.016 0.000 3/26460 910.0 0.214 0.322 0.182 0.000 -0.016 0.000 3/26460 920.0 0.212 0.319 0.180 0.000 -0.016 0.000 3/26460 930.0 0.210 0.316 0.178 0.000 -0.016 0.000 3/26460 940.0 0.208 0.312 0.176 0.000 -0.016 0.000 3/26460 950.0 0.205 0.309 0.175 0.000 -0.016 0.000 3/26460 960.0 0.203 0.306 0.173 0.000 -0.015 0.000 3/26460 970.0 0.201 0.303 0.171 0.000 -0.015 0.000 3/26460 980.0 0.199 0.300 0.169 0.000 -0.015 0.000 3/26460 990.0 0.198 0.297 0.168 0.000 -0.015 0.000 3/26460 1000.0 0.196 0.294 0.166 0.000 -0.015 0.000 3/26460 Thermal conductivity related properties were written into "kappa-m975.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:02:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|