----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:47:33]------------------------- 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: [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.194644675841648 -2.981890400000000 0.000000000000000 b 5.194644675841648 2.981890400000000 0.000000000000000 c -1.806352501492035 0.000000000000000 9.989938855049518 Atomic positions (fractional): *1 Li 0.41702239808225 0.70503890471717 0.58689350290287 6.941 2 Li 0.29496109528283 0.58297760191775 0.91310649709713 6.941 3 Li 0.58297760191775 0.29496109528283 0.41310649709713 6.941 *4 Li 0.83292867270733 0.03322175148618 0.89718923461648 6.941 *5 Li 0.16472211677078 0.42259077387424 0.10578184693415 6.941 6 Li 0.57740922612576 0.83527788322923 0.39421815306585 6.941 7 Li 0.83527788322922 0.57740922612576 0.89421815306585 6.941 8 Li 0.42259077387424 0.16472211677078 0.60578184693415 6.941 9 Li 0.03322175148618 0.83292867270733 0.39718923461648 6.941 10 Li 0.16707132729267 0.96677824851382 0.10281076538352 6.941 11 Li 0.96677824851382 0.16707132729267 0.60281076538352 6.941 12 Li 0.70503890471717 0.41702239808225 0.08689350290287 6.941 *13 O 0.86714846472836 0.63816448839996 0.25597209040904 15.999 14 O 0.36183551160004 0.13285153527164 0.24402790959096 15.999 15 O 0.13285153527164 0.36183551160004 0.74402790959096 15.999 16 O 0.63816448839996 0.86714846472836 0.75597209040904 15.999 *17 O 0.84586154773592 0.15413845226408 0.25000000000000 15.999 18 O 0.15413845226408 0.84586154773592 0.75000000000000 15.999 *19 O 0.76390144555985 0.50084074930923 0.50206287459279 15.999 20 O 0.49915925069077 0.23609855444015 0.99793712540721 15.999 21 O 0.23609855444015 0.49915925069077 0.49793712540722 15.999 22 O 0.50084074930923 0.76390144555985 0.00206287459279 15.999 *23 O 0.00205409229593 0.75514252617970 0.02084587637362 15.999 24 O 0.24485747382030 0.99794590770407 0.47915412362638 15.999 25 O 0.99794590770407 0.24485747382030 0.97915412362638 15.999 26 O 0.75514252617970 0.00205409229593 0.52084587637362 15.999 *27 Zr 0.30391338363650 0.06326618583494 0.86549008518327 91.224 28 Zr 0.93673381416506 0.69608661636350 0.63450991481673 91.224 29 Zr 0.69608661636349 0.93673381416506 0.13450991481673 91.224 30 Zr 0.06326618583494 0.30391338363650 0.36549008518327 91.224 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.389289351683296 0.000000000000000 0.000000000000000 b 0.000000000000000 5.963780800000000 0.000000000000000 c -1.806352501492035 0.000000000000000 9.989938855049518 Atomic positions (fractional): *1 Li 0.06103065139971 0.64400825331746 0.58689350290287 6.941 > 1 2 Li 0.43896934860029 0.14400825331746 0.91310649709713 6.941 > 2 3 Li 0.43896934860029 0.85599174668254 0.41310649709713 6.941 > 3 *4 Li 0.43307521209675 0.60014653938943 0.89718923461648 6.941 > 4 *5 Li 0.29365644532251 0.12893432855173 0.10578184693415 6.941 > 5 6 Li 0.20634355467749 0.62893432855173 0.39421815306585 6.941 > 6 7 Li 0.20634355467749 0.37106567144827 0.89421815306585 6.941 > 7 8 Li 0.29365644532251 0.87106567144827 0.60578184693415 6.941 > 8 9 Li 0.43307521209675 0.39985346061057 0.39718923461648 6.941 > 9 10 Li 0.06692478790325 0.89985346061057 0.10281076538352 6.941 > 10 11 Li 0.06692478790325 0.10014653938943 0.60281076538352 6.941 > 11 12 Li 0.06103065139971 0.35599174668254 0.08689350290287 6.941 > 12 13 Li 0.56103065139971 0.14400825331746 0.58689350290287 6.941 > 1 14 Li 0.93896934860029 0.64400825331746 0.91310649709713 6.941 > 2 15 Li 0.93896934860029 0.35599174668254 0.41310649709713 6.941 > 3 16 Li 0.93307521209676 0.10014653938943 0.89718923461648 6.941 > 4 17 Li 0.79365644532251 0.62893432855173 0.10578184693415 6.941 > 5 18 Li 0.70634355467749 0.12893432855173 0.39421815306585 6.941 > 6 19 Li 0.70634355467749 0.87106567144827 0.89421815306585 6.941 > 7 20 Li 0.79365644532251 0.37106567144827 0.60578184693415 6.941 > 8 21 Li 0.93307521209676 0.89985346061057 0.39718923461648 6.941 > 9 22 Li 0.56692478790324 0.39985346061057 0.10281076538352 6.941 > 10 23 Li 0.56692478790324 0.60014653938943 0.60281076538352 6.941 > 11 24 Li 0.56103065139971 0.85599174668254 0.08689350290287 6.941 > 12 *25 O 0.25265647656416 0.38550801183580 0.25597209040904 15.999 > 13 26 O 0.24734352343584 0.88550801183580 0.24402790959096 15.999 > 14 27 O 0.24734352343584 0.11449198816420 0.74402790959096 15.999 > 15 28 O 0.25265647656416 0.61449198816420 0.75597209040904 15.999 > 16 *29 O 0.00000000000000 0.15413845226408 0.25000000000000 15.999 > 17 30 O 0.00000000000000 0.84586154773592 0.75000000000000 15.999 > 18 *31 O 0.13237109743454 0.36846965187469 0.50206287459279 15.999 > 19 32 O 0.36762890256546 0.86846965187469 0.99793712540721 15.999 > 20 33 O 0.36762890256546 0.13153034812531 0.49793712540722 15.999 > 21 34 O 0.13237109743454 0.63153034812531 0.00206287459279 15.999 > 22 *35 O 0.37859830923782 0.37654421694189 0.02084587637362 15.999 > 23 36 O 0.12140169076218 0.87654421694189 0.47915412362638 15.999 > 24 37 O 0.12140169076218 0.12345578305811 0.97915412362638 15.999 > 25 38 O 0.37859830923782 0.62345578305811 0.52084587637362 15.999 > 26 39 O 0.75265647656416 0.88550801183580 0.25597209040904 15.999 > 13 40 O 0.74734352343584 0.38550801183580 0.24402790959096 15.999 > 14 41 O 0.74734352343584 0.61449198816420 0.74402790959096 15.999 > 15 42 O 0.75265647656416 0.11449198816420 0.75597209040904 15.999 > 16 43 O 0.50000000000000 0.65413845226408 0.25000000000000 15.999 > 17 44 O 0.50000000000000 0.34586154773592 0.75000000000000 15.999 > 18 45 O 0.63237109743454 0.86846965187469 0.50206287459279 15.999 > 19 46 O 0.86762890256546 0.36846965187469 0.99793712540721 15.999 > 20 47 O 0.86762890256546 0.63153034812531 0.49793712540722 15.999 > 21 48 O 0.63237109743454 0.13153034812531 0.00206287459279 15.999 > 22 49 O 0.87859830923782 0.87654421694189 0.02084587637362 15.999 > 23 50 O 0.62140169076218 0.37654421694189 0.47915412362638 15.999 > 24 51 O 0.62140169076218 0.62345578305811 0.97915412362638 15.999 > 25 52 O 0.87859830923782 0.12345578305811 0.52084587637362 15.999 > 26 *53 Zr 0.18358978473572 0.87967640109922 0.86549008518327 91.224 > 27 54 Zr 0.31641021526428 0.37967640109922 0.63450991481673 91.224 > 28 55 Zr 0.31641021526428 0.62032359890078 0.13450991481673 91.224 > 29 56 Zr 0.18358978473572 0.12032359890078 0.36549008518327 91.224 > 30 57 Zr 0.68358978473572 0.37967640109922 0.86549008518327 91.224 > 27 58 Zr 0.81641021526428 0.87967640109922 0.63450991481673 91.224 > 28 59 Zr 0.81641021526428 0.12032359890078 0.13450991481673 91.224 > 29 60 Zr 0.68358978473572 0.62032359890078 0.36549008518327 91.224 > 30 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.389289351683296 0.000000000000000 0.000000000000000 b 0.000000000000000 11.927561600000001 0.000000000000000 c -1.806352501492035 0.000000000000000 9.989938855049518 Atomic positions (fractional): *1 Li 0.06103065139971 0.32200412665873 0.58689350290287 6.941 > 1 2 Li 0.06103065139971 0.82200412665873 0.58689350290287 6.941 > 1 3 Li 0.43896934860029 0.07200412665873 0.91310649709713 6.941 > 2 4 Li 0.43896934860029 0.57200412665873 0.91310649709713 6.941 > 2 5 Li 0.43896934860029 0.42799587334127 0.41310649709713 6.941 > 3 6 Li 0.43896934860029 0.92799587334127 0.41310649709713 6.941 > 3 *7 Li 0.43307521209675 0.30007326969471 0.89718923461648 6.941 > 4 8 Li 0.43307521209675 0.80007326969471 0.89718923461648 6.941 > 4 *9 Li 0.29365644532251 0.06446716427587 0.10578184693415 6.941 > 5 10 Li 0.29365644532251 0.56446716427587 0.10578184693415 6.941 > 5 11 Li 0.20634355467749 0.31446716427587 0.39421815306585 6.941 > 6 12 Li 0.20634355467749 0.81446716427587 0.39421815306585 6.941 > 6 13 Li 0.20634355467749 0.18553283572413 0.89421815306585 6.941 > 7 14 Li 0.20634355467749 0.68553283572413 0.89421815306585 6.941 > 7 15 Li 0.29365644532251 0.43553283572413 0.60578184693415 6.941 > 8 16 Li 0.29365644532251 0.93553283572413 0.60578184693415 6.941 > 8 17 Li 0.43307521209675 0.19992673030529 0.39718923461648 6.941 > 9 18 Li 0.43307521209675 0.69992673030529 0.39718923461648 6.941 > 9 19 Li 0.06692478790325 0.44992673030529 0.10281076538352 6.941 > 10 20 Li 0.06692478790325 0.94992673030529 0.10281076538352 6.941 > 10 21 Li 0.06692478790325 0.05007326969471 0.60281076538352 6.941 > 11 22 Li 0.06692478790325 0.55007326969471 0.60281076538352 6.941 > 11 23 Li 0.06103065139971 0.17799587334127 0.08689350290287 6.941 > 12 24 Li 0.06103065139971 0.67799587334127 0.08689350290287 6.941 > 12 25 Li 0.56103065139971 0.07200412665873 0.58689350290287 6.941 > 1 26 Li 0.56103065139971 0.57200412665873 0.58689350290287 6.941 > 1 27 Li 0.93896934860029 0.32200412665873 0.91310649709713 6.941 > 2 28 Li 0.93896934860029 0.82200412665873 0.91310649709713 6.941 > 2 29 Li 0.93896934860029 0.17799587334127 0.41310649709713 6.941 > 3 30 Li 0.93896934860029 0.67799587334127 0.41310649709713 6.941 > 3 31 Li 0.93307521209676 0.05007326969471 0.89718923461648 6.941 > 4 32 Li 0.93307521209676 0.55007326969471 0.89718923461648 6.941 > 4 33 Li 0.79365644532251 0.31446716427587 0.10578184693415 6.941 > 5 34 Li 0.79365644532251 0.81446716427587 0.10578184693415 6.941 > 5 35 Li 0.70634355467749 0.06446716427587 0.39421815306585 6.941 > 6 36 Li 0.70634355467749 0.56446716427587 0.39421815306585 6.941 > 6 37 Li 0.70634355467749 0.43553283572413 0.89421815306585 6.941 > 7 38 Li 0.70634355467749 0.93553283572413 0.89421815306585 6.941 > 7 39 Li 0.79365644532251 0.18553283572413 0.60578184693415 6.941 > 8 40 Li 0.79365644532251 0.68553283572413 0.60578184693415 6.941 > 8 41 Li 0.93307521209676 0.44992673030529 0.39718923461648 6.941 > 9 42 Li 0.93307521209676 0.94992673030529 0.39718923461648 6.941 > 9 43 Li 0.56692478790324 0.19992673030529 0.10281076538352 6.941 > 10 44 Li 0.56692478790324 0.69992673030529 0.10281076538352 6.941 > 10 45 Li 0.56692478790324 0.30007326969471 0.60281076538352 6.941 > 11 46 Li 0.56692478790324 0.80007326969471 0.60281076538352 6.941 > 11 47 Li 0.56103065139971 0.42799587334127 0.08689350290287 6.941 > 12 48 Li 0.56103065139971 0.92799587334127 0.08689350290287 6.941 > 12 *49 O 0.25265647656416 0.19275400591790 0.25597209040904 15.999 > 13 50 O 0.25265647656416 0.69275400591790 0.25597209040904 15.999 > 13 51 O 0.24734352343584 0.44275400591790 0.24402790959096 15.999 > 14 52 O 0.24734352343584 0.94275400591790 0.24402790959096 15.999 > 14 53 O 0.24734352343584 0.05724599408210 0.74402790959096 15.999 > 15 54 O 0.24734352343584 0.55724599408210 0.74402790959096 15.999 > 15 55 O 0.25265647656416 0.30724599408210 0.75597209040904 15.999 > 16 56 O 0.25265647656416 0.80724599408210 0.75597209040904 15.999 > 16 *57 O 0.00000000000000 0.07706922613204 0.25000000000000 15.999 > 17 58 O 0.00000000000000 0.57706922613204 0.25000000000000 15.999 > 17 59 O 0.00000000000000 0.42293077386796 0.75000000000000 15.999 > 18 60 O 0.00000000000000 0.92293077386796 0.75000000000000 15.999 > 18 *61 O 0.13237109743454 0.18423482593734 0.50206287459279 15.999 > 19 62 O 0.13237109743454 0.68423482593734 0.50206287459279 15.999 > 19 63 O 0.36762890256546 0.43423482593734 0.99793712540721 15.999 > 20 64 O 0.36762890256546 0.93423482593734 0.99793712540721 15.999 > 20 65 O 0.36762890256546 0.06576517406266 0.49793712540722 15.999 > 21 66 O 0.36762890256546 0.56576517406266 0.49793712540722 15.999 > 21 67 O 0.13237109743454 0.31576517406266 0.00206287459279 15.999 > 22 68 O 0.13237109743454 0.81576517406266 0.00206287459279 15.999 > 22 *69 O 0.37859830923782 0.18827210847094 0.02084587637362 15.999 > 23 70 O 0.37859830923782 0.68827210847094 0.02084587637362 15.999 > 23 71 O 0.12140169076218 0.43827210847094 0.47915412362638 15.999 > 24 72 O 0.12140169076218 0.93827210847094 0.47915412362638 15.999 > 24 73 O 0.12140169076218 0.06172789152906 0.97915412362638 15.999 > 25 74 O 0.12140169076218 0.56172789152906 0.97915412362638 15.999 > 25 75 O 0.37859830923782 0.31172789152906 0.52084587637362 15.999 > 26 76 O 0.37859830923782 0.81172789152906 0.52084587637362 15.999 > 26 77 O 0.75265647656416 0.44275400591790 0.25597209040904 15.999 > 13 78 O 0.75265647656416 0.94275400591790 0.25597209040904 15.999 > 13 79 O 0.74734352343584 0.19275400591790 0.24402790959096 15.999 > 14 80 O 0.74734352343584 0.69275400591790 0.24402790959096 15.999 > 14 81 O 0.74734352343584 0.30724599408210 0.74402790959096 15.999 > 15 82 O 0.74734352343584 0.80724599408210 0.74402790959096 15.999 > 15 83 O 0.75265647656416 0.05724599408210 0.75597209040904 15.999 > 16 84 O 0.75265647656416 0.55724599408210 0.75597209040904 15.999 > 16 85 O 0.50000000000000 0.32706922613204 0.25000000000000 15.999 > 17 86 O 0.50000000000000 0.82706922613204 0.25000000000000 15.999 > 17 87 O 0.50000000000000 0.17293077386796 0.75000000000000 15.999 > 18 88 O 0.50000000000000 0.67293077386796 0.75000000000000 15.999 > 18 89 O 0.63237109743454 0.43423482593734 0.50206287459279 15.999 > 19 90 O 0.63237109743454 0.93423482593734 0.50206287459279 15.999 > 19 91 O 0.86762890256546 0.18423482593734 0.99793712540721 15.999 > 20 92 O 0.86762890256546 0.68423482593734 0.99793712540721 15.999 > 20 93 O 0.86762890256546 0.31576517406266 0.49793712540722 15.999 > 21 94 O 0.86762890256546 0.81576517406266 0.49793712540722 15.999 > 21 95 O 0.63237109743454 0.06576517406266 0.00206287459279 15.999 > 22 96 O 0.63237109743454 0.56576517406266 0.00206287459279 15.999 > 22 97 O 0.87859830923782 0.43827210847094 0.02084587637362 15.999 > 23 98 O 0.87859830923782 0.93827210847094 0.02084587637362 15.999 > 23 99 O 0.62140169076218 0.18827210847094 0.47915412362638 15.999 > 24 100 O 0.62140169076218 0.68827210847094 0.47915412362638 15.999 > 24 101 O 0.62140169076218 0.31172789152906 0.97915412362638 15.999 > 25 102 O 0.62140169076218 0.81172789152906 0.97915412362638 15.999 > 25 103 O 0.87859830923782 0.06172789152906 0.52084587637362 15.999 > 26 104 O 0.87859830923782 0.56172789152906 0.52084587637362 15.999 > 26 *105 Zr 0.18358978473572 0.43983820054961 0.86549008518327 91.224 > 27 106 Zr 0.18358978473572 0.93983820054961 0.86549008518327 91.224 > 27 107 Zr 0.31641021526428 0.18983820054961 0.63450991481673 91.224 > 28 108 Zr 0.31641021526428 0.68983820054961 0.63450991481673 91.224 > 28 109 Zr 0.31641021526428 0.31016179945039 0.13450991481673 91.224 > 29 110 Zr 0.31641021526428 0.81016179945039 0.13450991481673 91.224 > 29 111 Zr 0.18358978473572 0.06016179945039 0.36549008518327 91.224 > 30 112 Zr 0.18358978473572 0.56016179945039 0.36549008518327 91.224 > 30 113 Zr 0.68358978473572 0.18983820054961 0.86549008518327 91.224 > 27 114 Zr 0.68358978473572 0.68983820054961 0.86549008518327 91.224 > 27 115 Zr 0.81641021526428 0.43983820054961 0.63450991481673 91.224 > 28 116 Zr 0.81641021526428 0.93983820054961 0.63450991481673 91.224 > 28 117 Zr 0.81641021526428 0.06016179945039 0.13450991481673 91.224 > 29 118 Zr 0.81641021526428 0.56016179945039 0.13450991481673 91.224 > 29 119 Zr 0.68358978473572 0.31016179945039 0.36549008518327 91.224 > 30 120 Zr 0.68358978473572 0.81016179945039 0.36549008518327 91.224 > 30 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6707940 0.0000000 0.0239052 0.0000000 3.7650522 0.0000000 0.0238854 0.0000000 3.8944162 -------------------------- Born effective charges -------------------------- 1 Li 1.2433676 -0.1152381 0.0167588 -0.1185946 1.1146153 0.0148398 0.0041842 0.0211725 0.9894178 2 Li 1.2433676 0.1152381 0.0167588 0.1185946 1.1146153 -0.0148398 0.0041842 -0.0211725 0.9894178 3 Li 1.2433676 -0.1152381 0.0167588 -0.1185946 1.1146153 0.0148398 0.0041842 0.0211725 0.9894178 4 Li 1.1220417 -0.1112525 -0.0220007 -0.1744259 0.7382329 0.0957520 -0.0520446 0.0238456 0.9736571 5 Li 0.7261049 0.0715268 -0.0627971 0.1349116 1.1674341 0.0867972 0.0089686 0.0618013 0.9772203 6 Li 0.7261049 -0.0715268 -0.0627971 -0.1349116 1.1674341 -0.0867972 0.0089686 -0.0618013 0.9772203 7 Li 0.7261049 0.0715268 -0.0627971 0.1349116 1.1674341 0.0867972 0.0089686 0.0618013 0.9772203 8 Li 0.7261049 -0.0715268 -0.0627971 -0.1349116 1.1674341 -0.0867972 0.0089686 -0.0618013 0.9772203 9 Li 1.1220417 0.1112525 -0.0220007 0.1744259 0.7382329 -0.0957520 -0.0520446 -0.0238456 0.9736571 10 Li 1.1220417 -0.1112525 -0.0220007 -0.1744259 0.7382329 0.0957520 -0.0520446 0.0238456 0.9736571 11 Li 1.1220417 0.1112525 -0.0220007 0.1744259 0.7382329 -0.0957520 -0.0520446 -0.0238456 0.9736571 12 Li 1.2433676 0.1152381 0.0167588 0.1185946 1.1146153 -0.0148398 0.0041842 -0.0211725 0.9894178 13 O -1.8506959 -1.0152940 0.7157257 -1.0382221 -3.0568915 1.1543236 0.6596476 1.0972797 -2.6210818 14 O -1.8506959 1.0152940 0.7157257 1.0382221 -3.0568915 -1.1543236 0.6596476 -1.0972797 -2.6210818 15 O -1.8506959 -1.0152940 0.7157257 -1.0382221 -3.0568915 1.1543236 0.6596476 1.0972797 -2.6210818 16 O -1.8506959 1.0152940 0.7157257 1.0382221 -3.0568915 -1.1543236 0.6596476 -1.0972797 -2.6210818 17 O -3.7789808 0.0000000 -1.4512344 0.0000000 -1.2810912 0.0000000 -1.3879279 0.0000000 -2.6471849 18 O -3.7789808 0.0000000 -1.4512344 0.0000000 -1.2810912 0.0000000 -1.3879279 0.0000000 -2.6471849 19 O -2.2852956 0.0342960 -0.3666987 0.0394699 -2.1743144 -0.5698032 -0.3717482 -0.5829633 -2.5512883 20 O -2.2852956 -0.0342960 -0.3666987 -0.0394699 -2.1743144 0.5698032 -0.3717482 0.5829633 -2.5512883 21 O -2.2852956 0.0342960 -0.3666987 0.0394699 -2.1743144 -0.5698032 -0.3717482 -0.5829633 -2.5512883 22 O -2.2852956 -0.0342960 -0.3666987 -0.0394699 -2.1743144 0.5698032 -0.3717482 0.5829633 -2.5512883 23 O -1.9154550 0.3713756 0.3531301 0.3667702 -2.3129370 -0.6014516 0.3589109 -0.6143506 -2.0539862 24 O -1.9154550 -0.3713756 0.3531301 -0.3667702 -2.3129370 0.6014516 0.3589109 0.6143506 -2.0539862 25 O -1.9154550 0.3713756 0.3531301 0.3667702 -2.3129370 -0.6014516 0.3589109 -0.6143506 -2.0539862 26 O -1.9154550 -0.3713756 0.3531301 -0.3667702 -2.3129370 0.6014516 0.3589109 0.6143506 -2.0539862 27 Zr 4.8494227 -0.3254221 0.0914990 -0.4002455 5.1644061 -0.2181338 0.0860455 -0.0394607 5.6096535 28 Zr 4.8494227 0.3254221 0.0914990 0.4002455 5.1644061 0.2181338 0.0860455 0.0394607 5.6096535 29 Zr 4.8494227 -0.3254221 0.0914990 -0.4002455 5.1644061 -0.2181338 0.0860455 -0.0394607 5.6096535 30 Zr 4.8494227 0.3254221 0.0914990 0.4002455 5.1644061 0.2181338 0.0860455 0.0394607 5.6096535 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 19494/19494 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4187 Number of blocks in projector: 4187 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: 904 Use submatrix version of eigh solver. (1) Block: 500 / 904 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 904 / 904 (1) 393 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 896 Use submatrix version of eigh solver. (1) Block: 500 / 896 (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: 896 / 896 (1) 382 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: 896 Use submatrix version of eigh solver. (1) Block: 500 / 896 (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: 896 / 896 (1) 382 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 497 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 497 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 497 Use standard eigh solver. Tree of FC basis block matrices: - (4187, 4120), data: False |-- (497, 489), data: True |-- (497, 489), data: True |-- (497, 489), data: True |-- (896, 882), data: False |-- (896, 14), data: (896, 28) @ (28, 14) |-- (396, 382), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (896, 882), data: False |-- (896, 14), data: (896, 28) @ (28, 14) |-- (396, 382), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (904, 889), data: False |-- (904, 11), data: (904, 26) @ (26, 11) |-- (404, 393), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 960 - Time: 1.185 Solver_block: 200 / 960 - Time: 1.097 Solver_block: 300 / 960 - Time: 1.098 Solver_block: 400 / 960 - Time: 1.196 Solver_block: 500 / 960 - Time: 1.139 Solver_block: 600 / 960 - Time: 1.098 Solver_block: 700 / 960 - Time: 1.104 Solver_block: 800 / 960 - Time: 1.657 Solver_block: 900 / 960 - Time: 2.290 Solver_block: 960 / 960 - Time: 1.760 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.343 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 360/360 Permutation basis: 19494/19494 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4187 Number of blocks in projector: 4187 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: 904 Use submatrix version of eigh solver. (1) Block: 500 / 904 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 904 / 904 (1) 393 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 896 Use submatrix version of eigh solver. (1) Block: 500 / 896 (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: 896 / 896 (1) 382 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: 896 Use submatrix version of eigh solver. (1) Block: 500 / 896 (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: 896 / 896 (1) 382 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 497 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 497 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 497 Use standard eigh solver. Tree of FC basis block matrices: - (4187, 4120), data: False |-- (497, 489), data: True |-- (497, 489), data: True |-- (497, 489), data: True |-- (896, 882), data: False |-- (896, 14), data: (896, 28) @ (28, 14) |-- (396, 382), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (896, 882), data: False |-- (896, 14), data: (896, 28) @ (28, 14) |-- (396, 382), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (904, 889), data: False |-- (904, 11), data: (904, 26) @ (26, 11) |-- (404, 393), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 20:48:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:48:57]------------------------- 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): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.194644675841648 -2.981890400000000 0.000000000000000 b 5.194644675841648 2.981890400000000 0.000000000000000 c -1.806352501492035 0.000000000000000 9.989938855049518 Atomic positions (fractional): 1 Li 0.41702239808225 0.70503890471717 0.58689350290287 6.941 2 Li 0.29496109528283 0.58297760191775 0.91310649709713 6.941 3 Li 0.58297760191775 0.29496109528283 0.41310649709713 6.941 4 Li 0.83292867270733 0.03322175148618 0.89718923461648 6.941 5 Li 0.16472211677078 0.42259077387424 0.10578184693415 6.941 6 Li 0.57740922612576 0.83527788322923 0.39421815306585 6.941 7 Li 0.83527788322922 0.57740922612576 0.89421815306585 6.941 8 Li 0.42259077387424 0.16472211677078 0.60578184693415 6.941 9 Li 0.03322175148618 0.83292867270733 0.39718923461648 6.941 10 Li 0.16707132729267 0.96677824851382 0.10281076538352 6.941 11 Li 0.96677824851382 0.16707132729267 0.60281076538352 6.941 12 Li 0.70503890471717 0.41702239808225 0.08689350290287 6.941 13 O 0.86714846472836 0.63816448839996 0.25597209040904 15.999 14 O 0.36183551160004 0.13285153527164 0.24402790959096 15.999 15 O 0.13285153527164 0.36183551160004 0.74402790959096 15.999 16 O 0.63816448839996 0.86714846472836 0.75597209040904 15.999 17 O 0.84586154773592 0.15413845226408 0.25000000000000 15.999 18 O 0.15413845226408 0.84586154773592 0.75000000000000 15.999 19 O 0.76390144555985 0.50084074930923 0.50206287459279 15.999 20 O 0.49915925069077 0.23609855444015 0.99793712540721 15.999 21 O 0.23609855444015 0.49915925069077 0.49793712540722 15.999 22 O 0.50084074930923 0.76390144555985 0.00206287459279 15.999 23 O 0.00205409229593 0.75514252617970 0.02084587637362 15.999 24 O 0.24485747382030 0.99794590770407 0.47915412362638 15.999 25 O 0.99794590770407 0.24485747382030 0.97915412362638 15.999 26 O 0.75514252617970 0.00205409229593 0.52084587637362 15.999 27 Zr 0.30391338363650 0.06326618583494 0.86549008518327 91.224 28 Zr 0.93673381416506 0.69608661636350 0.63450991481673 91.224 29 Zr 0.69608661636349 0.93673381416506 0.13450991481673 91.224 30 Zr 0.06326618583494 0.30391338363650 0.36549008518327 91.224 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.389289351683296 0.000000000000000 0.000000000000000 b 0.000000000000000 11.927561600000001 0.000000000000000 c -1.806352501492035 0.000000000000000 9.989938855049518 Atomic positions (fractional): 1 Li 0.06103065139971 0.32200412665873 0.58689350290287 6.941 > 1 2 Li 0.06103065139971 0.82200412665873 0.58689350290287 6.941 > 1 3 Li 0.43896934860029 0.07200412665873 0.91310649709713 6.941 > 3 4 Li 0.43896934860029 0.57200412665873 0.91310649709713 6.941 > 3 5 Li 0.43896934860029 0.42799587334127 0.41310649709713 6.941 > 5 6 Li 0.43896934860029 0.92799587334127 0.41310649709713 6.941 > 5 7 Li 0.43307521209675 0.30007326969471 0.89718923461648 6.941 > 7 8 Li 0.43307521209675 0.80007326969471 0.89718923461648 6.941 > 7 9 Li 0.29365644532251 0.06446716427587 0.10578184693415 6.941 > 9 10 Li 0.29365644532251 0.56446716427587 0.10578184693415 6.941 > 9 11 Li 0.20634355467749 0.31446716427587 0.39421815306585 6.941 > 11 12 Li 0.20634355467749 0.81446716427587 0.39421815306585 6.941 > 11 13 Li 0.20634355467749 0.18553283572413 0.89421815306585 6.941 > 13 14 Li 0.20634355467749 0.68553283572413 0.89421815306585 6.941 > 13 15 Li 0.29365644532251 0.43553283572413 0.60578184693415 6.941 > 15 16 Li 0.29365644532251 0.93553283572413 0.60578184693415 6.941 > 15 17 Li 0.43307521209675 0.19992673030529 0.39718923461648 6.941 > 17 18 Li 0.43307521209675 0.69992673030529 0.39718923461648 6.941 > 17 19 Li 0.06692478790325 0.44992673030529 0.10281076538352 6.941 > 19 20 Li 0.06692478790325 0.94992673030529 0.10281076538352 6.941 > 19 21 Li 0.06692478790325 0.05007326969471 0.60281076538352 6.941 > 21 22 Li 0.06692478790325 0.55007326969471 0.60281076538352 6.941 > 21 23 Li 0.06103065139971 0.17799587334127 0.08689350290287 6.941 > 23 24 Li 0.06103065139971 0.67799587334127 0.08689350290287 6.941 > 23 25 Li 0.56103065139971 0.07200412665873 0.58689350290287 6.941 > 1 26 Li 0.56103065139971 0.57200412665873 0.58689350290287 6.941 > 1 27 Li 0.93896934860029 0.32200412665873 0.91310649709713 6.941 > 3 28 Li 0.93896934860029 0.82200412665873 0.91310649709713 6.941 > 3 29 Li 0.93896934860029 0.17799587334127 0.41310649709713 6.941 > 5 30 Li 0.93896934860029 0.67799587334127 0.41310649709713 6.941 > 5 31 Li 0.93307521209676 0.05007326969471 0.89718923461648 6.941 > 7 32 Li 0.93307521209676 0.55007326969471 0.89718923461648 6.941 > 7 33 Li 0.79365644532251 0.31446716427587 0.10578184693415 6.941 > 9 34 Li 0.79365644532251 0.81446716427587 0.10578184693415 6.941 > 9 35 Li 0.70634355467749 0.06446716427587 0.39421815306585 6.941 > 11 36 Li 0.70634355467749 0.56446716427587 0.39421815306585 6.941 > 11 37 Li 0.70634355467749 0.43553283572413 0.89421815306585 6.941 > 13 38 Li 0.70634355467749 0.93553283572413 0.89421815306585 6.941 > 13 39 Li 0.79365644532251 0.18553283572413 0.60578184693415 6.941 > 15 40 Li 0.79365644532251 0.68553283572413 0.60578184693415 6.941 > 15 41 Li 0.93307521209676 0.44992673030529 0.39718923461648 6.941 > 17 42 Li 0.93307521209676 0.94992673030529 0.39718923461648 6.941 > 17 43 Li 0.56692478790324 0.19992673030529 0.10281076538352 6.941 > 19 44 Li 0.56692478790324 0.69992673030529 0.10281076538352 6.941 > 19 45 Li 0.56692478790324 0.30007326969471 0.60281076538352 6.941 > 21 46 Li 0.56692478790324 0.80007326969471 0.60281076538352 6.941 > 21 47 Li 0.56103065139971 0.42799587334127 0.08689350290287 6.941 > 23 48 Li 0.56103065139971 0.92799587334127 0.08689350290287 6.941 > 23 49 O 0.25265647656416 0.19275400591790 0.25597209040904 15.999 > 49 50 O 0.25265647656416 0.69275400591790 0.25597209040904 15.999 > 49 51 O 0.24734352343584 0.44275400591790 0.24402790959096 15.999 > 51 52 O 0.24734352343584 0.94275400591790 0.24402790959096 15.999 > 51 53 O 0.24734352343584 0.05724599408210 0.74402790959096 15.999 > 53 54 O 0.24734352343584 0.55724599408210 0.74402790959096 15.999 > 53 55 O 0.25265647656416 0.30724599408210 0.75597209040904 15.999 > 55 56 O 0.25265647656416 0.80724599408210 0.75597209040904 15.999 > 55 57 O 0.00000000000000 0.07706922613204 0.25000000000000 15.999 > 57 58 O 0.00000000000000 0.57706922613204 0.25000000000000 15.999 > 57 59 O 0.00000000000000 0.42293077386796 0.75000000000000 15.999 > 59 60 O 0.00000000000000 0.92293077386796 0.75000000000000 15.999 > 59 61 O 0.13237109743454 0.18423482593734 0.50206287459279 15.999 > 61 62 O 0.13237109743454 0.68423482593734 0.50206287459279 15.999 > 61 63 O 0.36762890256546 0.43423482593734 0.99793712540721 15.999 > 63 64 O 0.36762890256546 0.93423482593734 0.99793712540721 15.999 > 63 65 O 0.36762890256546 0.06576517406266 0.49793712540722 15.999 > 65 66 O 0.36762890256546 0.56576517406266 0.49793712540722 15.999 > 65 67 O 0.13237109743454 0.31576517406266 0.00206287459279 15.999 > 67 68 O 0.13237109743454 0.81576517406266 0.00206287459279 15.999 > 67 69 O 0.37859830923782 0.18827210847094 0.02084587637362 15.999 > 69 70 O 0.37859830923782 0.68827210847094 0.02084587637362 15.999 > 69 71 O 0.12140169076218 0.43827210847094 0.47915412362638 15.999 > 71 72 O 0.12140169076218 0.93827210847094 0.47915412362638 15.999 > 71 73 O 0.12140169076218 0.06172789152906 0.97915412362638 15.999 > 73 74 O 0.12140169076218 0.56172789152906 0.97915412362638 15.999 > 73 75 O 0.37859830923782 0.31172789152906 0.52084587637362 15.999 > 75 76 O 0.37859830923782 0.81172789152906 0.52084587637362 15.999 > 75 77 O 0.75265647656416 0.44275400591790 0.25597209040904 15.999 > 49 78 O 0.75265647656416 0.94275400591790 0.25597209040904 15.999 > 49 79 O 0.74734352343584 0.19275400591790 0.24402790959096 15.999 > 51 80 O 0.74734352343584 0.69275400591790 0.24402790959096 15.999 > 51 81 O 0.74734352343584 0.30724599408210 0.74402790959096 15.999 > 53 82 O 0.74734352343584 0.80724599408210 0.74402790959096 15.999 > 53 83 O 0.75265647656416 0.05724599408210 0.75597209040904 15.999 > 55 84 O 0.75265647656416 0.55724599408210 0.75597209040904 15.999 > 55 85 O 0.50000000000000 0.32706922613204 0.25000000000000 15.999 > 57 86 O 0.50000000000000 0.82706922613204 0.25000000000000 15.999 > 57 87 O 0.50000000000000 0.17293077386796 0.75000000000000 15.999 > 59 88 O 0.50000000000000 0.67293077386796 0.75000000000000 15.999 > 59 89 O 0.63237109743454 0.43423482593734 0.50206287459279 15.999 > 61 90 O 0.63237109743454 0.93423482593734 0.50206287459279 15.999 > 61 91 O 0.86762890256546 0.18423482593734 0.99793712540721 15.999 > 63 92 O 0.86762890256546 0.68423482593734 0.99793712540721 15.999 > 63 93 O 0.86762890256546 0.31576517406266 0.49793712540722 15.999 > 65 94 O 0.86762890256546 0.81576517406266 0.49793712540722 15.999 > 65 95 O 0.63237109743454 0.06576517406266 0.00206287459279 15.999 > 67 96 O 0.63237109743454 0.56576517406266 0.00206287459279 15.999 > 67 97 O 0.87859830923782 0.43827210847094 0.02084587637362 15.999 > 69 98 O 0.87859830923782 0.93827210847094 0.02084587637362 15.999 > 69 99 O 0.62140169076218 0.18827210847094 0.47915412362638 15.999 > 71 100 O 0.62140169076218 0.68827210847094 0.47915412362638 15.999 > 71 101 O 0.62140169076218 0.31172789152906 0.97915412362638 15.999 > 73 102 O 0.62140169076218 0.81172789152906 0.97915412362638 15.999 > 73 103 O 0.87859830923782 0.06172789152906 0.52084587637362 15.999 > 75 104 O 0.87859830923782 0.56172789152906 0.52084587637362 15.999 > 75 105 Zr 0.18358978473572 0.43983820054961 0.86549008518327 91.224 > 105 106 Zr 0.18358978473572 0.93983820054961 0.86549008518327 91.224 > 105 107 Zr 0.31641021526428 0.18983820054961 0.63450991481673 91.224 > 107 108 Zr 0.31641021526428 0.68983820054961 0.63450991481673 91.224 > 107 109 Zr 0.31641021526428 0.31016179945039 0.13450991481673 91.224 > 109 110 Zr 0.31641021526428 0.81016179945039 0.13450991481673 91.224 > 109 111 Zr 0.18358978473572 0.06016179945039 0.36549008518327 91.224 > 111 112 Zr 0.18358978473572 0.56016179945039 0.36549008518327 91.224 > 111 113 Zr 0.68358978473572 0.18983820054961 0.86549008518327 91.224 > 105 114 Zr 0.68358978473572 0.68983820054961 0.86549008518327 91.224 > 105 115 Zr 0.81641021526428 0.43983820054961 0.63450991481673 91.224 > 107 116 Zr 0.81641021526428 0.93983820054961 0.63450991481673 91.224 > 107 117 Zr 0.81641021526428 0.06016179945039 0.13450991481673 91.224 > 109 118 Zr 0.81641021526428 0.56016179945039 0.13450991481673 91.224 > 109 119 Zr 0.68358978473572 0.31016179945039 0.36549008518327 91.224 > 111 120 Zr 0.68358978473572 0.81016179945039 0.36549008518327 91.224 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6707940 0.0000000 0.0239052 0.0000000 3.7650522 0.0000000 0.0238854 0.0000000 3.8944162 -------------------------- Born effective charges -------------------------- 1 Li 1.2433676 -0.1152381 0.0167588 -0.1185946 1.1146153 0.0148398 0.0041842 0.0211725 0.9894178 2 Li 1.2433676 0.1152381 0.0167588 0.1185946 1.1146153 -0.0148398 0.0041842 -0.0211725 0.9894178 3 Li 1.2433676 -0.1152381 0.0167588 -0.1185946 1.1146153 0.0148398 0.0041842 0.0211725 0.9894178 4 Li 1.1220417 -0.1112525 -0.0220007 -0.1744259 0.7382329 0.0957520 -0.0520446 0.0238456 0.9736571 5 Li 0.7261049 0.0715268 -0.0627971 0.1349116 1.1674341 0.0867972 0.0089686 0.0618013 0.9772203 6 Li 0.7261049 -0.0715268 -0.0627971 -0.1349116 1.1674341 -0.0867972 0.0089686 -0.0618013 0.9772203 7 Li 0.7261049 0.0715268 -0.0627971 0.1349116 1.1674341 0.0867972 0.0089686 0.0618013 0.9772203 8 Li 0.7261049 -0.0715268 -0.0627971 -0.1349116 1.1674341 -0.0867972 0.0089686 -0.0618013 0.9772203 9 Li 1.1220417 0.1112525 -0.0220007 0.1744259 0.7382329 -0.0957520 -0.0520446 -0.0238456 0.9736571 10 Li 1.1220417 -0.1112525 -0.0220007 -0.1744259 0.7382329 0.0957520 -0.0520446 0.0238456 0.9736571 11 Li 1.1220417 0.1112525 -0.0220007 0.1744259 0.7382329 -0.0957520 -0.0520446 -0.0238456 0.9736571 12 Li 1.2433676 0.1152381 0.0167588 0.1185946 1.1146153 -0.0148398 0.0041842 -0.0211725 0.9894178 13 O -1.8506959 -1.0152940 0.7157257 -1.0382221 -3.0568915 1.1543236 0.6596476 1.0972797 -2.6210818 14 O -1.8506959 1.0152940 0.7157257 1.0382221 -3.0568915 -1.1543236 0.6596476 -1.0972797 -2.6210818 15 O -1.8506959 -1.0152940 0.7157257 -1.0382221 -3.0568915 1.1543236 0.6596476 1.0972797 -2.6210818 16 O -1.8506959 1.0152940 0.7157257 1.0382221 -3.0568915 -1.1543236 0.6596476 -1.0972797 -2.6210818 17 O -3.7789808 0.0000000 -1.4512344 0.0000000 -1.2810912 0.0000000 -1.3879279 0.0000000 -2.6471849 18 O -3.7789808 0.0000000 -1.4512344 0.0000000 -1.2810912 0.0000000 -1.3879279 0.0000000 -2.6471849 19 O -2.2852956 0.0342960 -0.3666987 0.0394699 -2.1743144 -0.5698032 -0.3717482 -0.5829633 -2.5512883 20 O -2.2852956 -0.0342960 -0.3666987 -0.0394699 -2.1743144 0.5698032 -0.3717482 0.5829633 -2.5512883 21 O -2.2852956 0.0342960 -0.3666987 0.0394699 -2.1743144 -0.5698032 -0.3717482 -0.5829633 -2.5512883 22 O -2.2852956 -0.0342960 -0.3666987 -0.0394699 -2.1743144 0.5698032 -0.3717482 0.5829633 -2.5512883 23 O -1.9154550 0.3713756 0.3531301 0.3667702 -2.3129370 -0.6014516 0.3589109 -0.6143506 -2.0539862 24 O -1.9154550 -0.3713756 0.3531301 -0.3667702 -2.3129370 0.6014516 0.3589109 0.6143506 -2.0539862 25 O -1.9154550 0.3713756 0.3531301 0.3667702 -2.3129370 -0.6014516 0.3589109 -0.6143506 -2.0539862 26 O -1.9154550 -0.3713756 0.3531301 -0.3667702 -2.3129370 0.6014516 0.3589109 0.6143506 -2.0539862 27 Zr 4.8494227 -0.3254221 0.0914990 -0.4002455 5.1644061 -0.2181338 0.0860455 -0.0394607 5.6096535 28 Zr 4.8494227 0.3254221 0.0914990 0.4002455 5.1644061 0.2181338 0.0860455 0.0394607 5.6096535 29 Zr 4.8494227 -0.3254221 0.0914990 -0.4002455 5.1644061 -0.2181338 0.0860455 -0.0394607 5.6096535 30 Zr 4.8494227 0.3254221 0.0914990 0.4002455 5.1644061 0.2181338 0.0860455 0.0394607 5.6096535 ---------------------------------------------------------------------------- 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] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] Computing fc3[ 7, 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] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] 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] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] 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] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] 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] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] Computing fc3[ 69, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] Computing fc3[ 105, 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] [-0.0018 0.0000 0.0098] [ 0.0018 0.0000 -0.0098] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yx) -0.00000000 (yx) 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 2026-01-07 20:49:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:49:41]------------------------- 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): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.194644675841648 -2.981890400000000 0.000000000000000 b 5.194644675841648 2.981890400000000 0.000000000000000 c -1.806352501492035 0.000000000000000 9.989938855049518 Atomic positions (fractional): 1 Li 0.41702239808225 0.70503890471717 0.58689350290287 6.941 2 Li 0.29496109528283 0.58297760191775 0.91310649709713 6.941 3 Li 0.58297760191775 0.29496109528283 0.41310649709713 6.941 4 Li 0.83292867270733 0.03322175148618 0.89718923461648 6.941 5 Li 0.16472211677078 0.42259077387424 0.10578184693415 6.941 6 Li 0.57740922612576 0.83527788322923 0.39421815306585 6.941 7 Li 0.83527788322922 0.57740922612576 0.89421815306585 6.941 8 Li 0.42259077387424 0.16472211677078 0.60578184693415 6.941 9 Li 0.03322175148618 0.83292867270733 0.39718923461648 6.941 10 Li 0.16707132729267 0.96677824851382 0.10281076538352 6.941 11 Li 0.96677824851382 0.16707132729267 0.60281076538352 6.941 12 Li 0.70503890471717 0.41702239808225 0.08689350290287 6.941 13 O 0.86714846472836 0.63816448839996 0.25597209040904 15.999 14 O 0.36183551160004 0.13285153527164 0.24402790959096 15.999 15 O 0.13285153527164 0.36183551160004 0.74402790959096 15.999 16 O 0.63816448839996 0.86714846472836 0.75597209040904 15.999 17 O 0.84586154773592 0.15413845226408 0.25000000000000 15.999 18 O 0.15413845226408 0.84586154773592 0.75000000000000 15.999 19 O 0.76390144555985 0.50084074930923 0.50206287459279 15.999 20 O 0.49915925069077 0.23609855444015 0.99793712540721 15.999 21 O 0.23609855444015 0.49915925069077 0.49793712540722 15.999 22 O 0.50084074930923 0.76390144555985 0.00206287459279 15.999 23 O 0.00205409229593 0.75514252617970 0.02084587637362 15.999 24 O 0.24485747382030 0.99794590770407 0.47915412362638 15.999 25 O 0.99794590770407 0.24485747382030 0.97915412362638 15.999 26 O 0.75514252617970 0.00205409229593 0.52084587637362 15.999 27 Zr 0.30391338363650 0.06326618583494 0.86549008518327 91.224 28 Zr 0.93673381416506 0.69608661636350 0.63450991481673 91.224 29 Zr 0.69608661636349 0.93673381416506 0.13450991481673 91.224 30 Zr 0.06326618583494 0.30391338363650 0.36549008518327 91.224 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.389289351683296 0.000000000000000 0.000000000000000 b 0.000000000000000 11.927561600000001 0.000000000000000 c -1.806352501492035 0.000000000000000 9.989938855049518 Atomic positions (fractional): 1 Li 0.06103065139971 0.32200412665873 0.58689350290287 6.941 > 1 2 Li 0.06103065139971 0.82200412665873 0.58689350290287 6.941 > 1 3 Li 0.43896934860029 0.07200412665873 0.91310649709713 6.941 > 3 4 Li 0.43896934860029 0.57200412665873 0.91310649709713 6.941 > 3 5 Li 0.43896934860029 0.42799587334127 0.41310649709713 6.941 > 5 6 Li 0.43896934860029 0.92799587334127 0.41310649709713 6.941 > 5 7 Li 0.43307521209675 0.30007326969471 0.89718923461648 6.941 > 7 8 Li 0.43307521209675 0.80007326969471 0.89718923461648 6.941 > 7 9 Li 0.29365644532251 0.06446716427587 0.10578184693415 6.941 > 9 10 Li 0.29365644532251 0.56446716427587 0.10578184693415 6.941 > 9 11 Li 0.20634355467749 0.31446716427587 0.39421815306585 6.941 > 11 12 Li 0.20634355467749 0.81446716427587 0.39421815306585 6.941 > 11 13 Li 0.20634355467749 0.18553283572413 0.89421815306585 6.941 > 13 14 Li 0.20634355467749 0.68553283572413 0.89421815306585 6.941 > 13 15 Li 0.29365644532251 0.43553283572413 0.60578184693415 6.941 > 15 16 Li 0.29365644532251 0.93553283572413 0.60578184693415 6.941 > 15 17 Li 0.43307521209675 0.19992673030529 0.39718923461648 6.941 > 17 18 Li 0.43307521209675 0.69992673030529 0.39718923461648 6.941 > 17 19 Li 0.06692478790325 0.44992673030529 0.10281076538352 6.941 > 19 20 Li 0.06692478790325 0.94992673030529 0.10281076538352 6.941 > 19 21 Li 0.06692478790325 0.05007326969471 0.60281076538352 6.941 > 21 22 Li 0.06692478790325 0.55007326969471 0.60281076538352 6.941 > 21 23 Li 0.06103065139971 0.17799587334127 0.08689350290287 6.941 > 23 24 Li 0.06103065139971 0.67799587334127 0.08689350290287 6.941 > 23 25 Li 0.56103065139971 0.07200412665873 0.58689350290287 6.941 > 1 26 Li 0.56103065139971 0.57200412665873 0.58689350290287 6.941 > 1 27 Li 0.93896934860029 0.32200412665873 0.91310649709713 6.941 > 3 28 Li 0.93896934860029 0.82200412665873 0.91310649709713 6.941 > 3 29 Li 0.93896934860029 0.17799587334127 0.41310649709713 6.941 > 5 30 Li 0.93896934860029 0.67799587334127 0.41310649709713 6.941 > 5 31 Li 0.93307521209676 0.05007326969471 0.89718923461648 6.941 > 7 32 Li 0.93307521209676 0.55007326969471 0.89718923461648 6.941 > 7 33 Li 0.79365644532251 0.31446716427587 0.10578184693415 6.941 > 9 34 Li 0.79365644532251 0.81446716427587 0.10578184693415 6.941 > 9 35 Li 0.70634355467749 0.06446716427587 0.39421815306585 6.941 > 11 36 Li 0.70634355467749 0.56446716427587 0.39421815306585 6.941 > 11 37 Li 0.70634355467749 0.43553283572413 0.89421815306585 6.941 > 13 38 Li 0.70634355467749 0.93553283572413 0.89421815306585 6.941 > 13 39 Li 0.79365644532251 0.18553283572413 0.60578184693415 6.941 > 15 40 Li 0.79365644532251 0.68553283572413 0.60578184693415 6.941 > 15 41 Li 0.93307521209676 0.44992673030529 0.39718923461648 6.941 > 17 42 Li 0.93307521209676 0.94992673030529 0.39718923461648 6.941 > 17 43 Li 0.56692478790324 0.19992673030529 0.10281076538352 6.941 > 19 44 Li 0.56692478790324 0.69992673030529 0.10281076538352 6.941 > 19 45 Li 0.56692478790324 0.30007326969471 0.60281076538352 6.941 > 21 46 Li 0.56692478790324 0.80007326969471 0.60281076538352 6.941 > 21 47 Li 0.56103065139971 0.42799587334127 0.08689350290287 6.941 > 23 48 Li 0.56103065139971 0.92799587334127 0.08689350290287 6.941 > 23 49 O 0.25265647656416 0.19275400591790 0.25597209040904 15.999 > 49 50 O 0.25265647656416 0.69275400591790 0.25597209040904 15.999 > 49 51 O 0.24734352343584 0.44275400591790 0.24402790959096 15.999 > 51 52 O 0.24734352343584 0.94275400591790 0.24402790959096 15.999 > 51 53 O 0.24734352343584 0.05724599408210 0.74402790959096 15.999 > 53 54 O 0.24734352343584 0.55724599408210 0.74402790959096 15.999 > 53 55 O 0.25265647656416 0.30724599408210 0.75597209040904 15.999 > 55 56 O 0.25265647656416 0.80724599408210 0.75597209040904 15.999 > 55 57 O 0.00000000000000 0.07706922613204 0.25000000000000 15.999 > 57 58 O 0.00000000000000 0.57706922613204 0.25000000000000 15.999 > 57 59 O 0.00000000000000 0.42293077386796 0.75000000000000 15.999 > 59 60 O 0.00000000000000 0.92293077386796 0.75000000000000 15.999 > 59 61 O 0.13237109743454 0.18423482593734 0.50206287459279 15.999 > 61 62 O 0.13237109743454 0.68423482593734 0.50206287459279 15.999 > 61 63 O 0.36762890256546 0.43423482593734 0.99793712540721 15.999 > 63 64 O 0.36762890256546 0.93423482593734 0.99793712540721 15.999 > 63 65 O 0.36762890256546 0.06576517406266 0.49793712540722 15.999 > 65 66 O 0.36762890256546 0.56576517406266 0.49793712540722 15.999 > 65 67 O 0.13237109743454 0.31576517406266 0.00206287459279 15.999 > 67 68 O 0.13237109743454 0.81576517406266 0.00206287459279 15.999 > 67 69 O 0.37859830923782 0.18827210847094 0.02084587637362 15.999 > 69 70 O 0.37859830923782 0.68827210847094 0.02084587637362 15.999 > 69 71 O 0.12140169076218 0.43827210847094 0.47915412362638 15.999 > 71 72 O 0.12140169076218 0.93827210847094 0.47915412362638 15.999 > 71 73 O 0.12140169076218 0.06172789152906 0.97915412362638 15.999 > 73 74 O 0.12140169076218 0.56172789152906 0.97915412362638 15.999 > 73 75 O 0.37859830923782 0.31172789152906 0.52084587637362 15.999 > 75 76 O 0.37859830923782 0.81172789152906 0.52084587637362 15.999 > 75 77 O 0.75265647656416 0.44275400591790 0.25597209040904 15.999 > 49 78 O 0.75265647656416 0.94275400591790 0.25597209040904 15.999 > 49 79 O 0.74734352343584 0.19275400591790 0.24402790959096 15.999 > 51 80 O 0.74734352343584 0.69275400591790 0.24402790959096 15.999 > 51 81 O 0.74734352343584 0.30724599408210 0.74402790959096 15.999 > 53 82 O 0.74734352343584 0.80724599408210 0.74402790959096 15.999 > 53 83 O 0.75265647656416 0.05724599408210 0.75597209040904 15.999 > 55 84 O 0.75265647656416 0.55724599408210 0.75597209040904 15.999 > 55 85 O 0.50000000000000 0.32706922613204 0.25000000000000 15.999 > 57 86 O 0.50000000000000 0.82706922613204 0.25000000000000 15.999 > 57 87 O 0.50000000000000 0.17293077386796 0.75000000000000 15.999 > 59 88 O 0.50000000000000 0.67293077386796 0.75000000000000 15.999 > 59 89 O 0.63237109743454 0.43423482593734 0.50206287459279 15.999 > 61 90 O 0.63237109743454 0.93423482593734 0.50206287459279 15.999 > 61 91 O 0.86762890256546 0.18423482593734 0.99793712540721 15.999 > 63 92 O 0.86762890256546 0.68423482593734 0.99793712540721 15.999 > 63 93 O 0.86762890256546 0.31576517406266 0.49793712540722 15.999 > 65 94 O 0.86762890256546 0.81576517406266 0.49793712540722 15.999 > 65 95 O 0.63237109743454 0.06576517406266 0.00206287459279 15.999 > 67 96 O 0.63237109743454 0.56576517406266 0.00206287459279 15.999 > 67 97 O 0.87859830923782 0.43827210847094 0.02084587637362 15.999 > 69 98 O 0.87859830923782 0.93827210847094 0.02084587637362 15.999 > 69 99 O 0.62140169076218 0.18827210847094 0.47915412362638 15.999 > 71 100 O 0.62140169076218 0.68827210847094 0.47915412362638 15.999 > 71 101 O 0.62140169076218 0.31172789152906 0.97915412362638 15.999 > 73 102 O 0.62140169076218 0.81172789152906 0.97915412362638 15.999 > 73 103 O 0.87859830923782 0.06172789152906 0.52084587637362 15.999 > 75 104 O 0.87859830923782 0.56172789152906 0.52084587637362 15.999 > 75 105 Zr 0.18358978473572 0.43983820054961 0.86549008518327 91.224 > 105 106 Zr 0.18358978473572 0.93983820054961 0.86549008518327 91.224 > 105 107 Zr 0.31641021526428 0.18983820054961 0.63450991481673 91.224 > 107 108 Zr 0.31641021526428 0.68983820054961 0.63450991481673 91.224 > 107 109 Zr 0.31641021526428 0.31016179945039 0.13450991481673 91.224 > 109 110 Zr 0.31641021526428 0.81016179945039 0.13450991481673 91.224 > 109 111 Zr 0.18358978473572 0.06016179945039 0.36549008518327 91.224 > 111 112 Zr 0.18358978473572 0.56016179945039 0.36549008518327 91.224 > 111 113 Zr 0.68358978473572 0.18983820054961 0.86549008518327 91.224 > 105 114 Zr 0.68358978473572 0.68983820054961 0.86549008518327 91.224 > 105 115 Zr 0.81641021526428 0.43983820054961 0.63450991481673 91.224 > 107 116 Zr 0.81641021526428 0.93983820054961 0.63450991481673 91.224 > 107 117 Zr 0.81641021526428 0.06016179945039 0.13450991481673 91.224 > 109 118 Zr 0.81641021526428 0.56016179945039 0.13450991481673 91.224 > 109 119 Zr 0.68358978473572 0.31016179945039 0.36549008518327 91.224 > 111 120 Zr 0.68358978473572 0.81016179945039 0.36549008518327 91.224 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.6707940 0.0000000 0.0239052 0.0000000 3.7650522 0.0000000 0.0238854 0.0000000 3.8944162 -------------------------- Born effective charges -------------------------- 1 Li 1.2433676 -0.1152381 0.0167588 -0.1185946 1.1146153 0.0148398 0.0041842 0.0211725 0.9894178 2 Li 1.2433676 0.1152381 0.0167588 0.1185946 1.1146153 -0.0148398 0.0041842 -0.0211725 0.9894178 3 Li 1.2433676 -0.1152381 0.0167588 -0.1185946 1.1146153 0.0148398 0.0041842 0.0211725 0.9894178 4 Li 1.1220417 -0.1112525 -0.0220007 -0.1744259 0.7382329 0.0957520 -0.0520446 0.0238456 0.9736571 5 Li 0.7261049 0.0715268 -0.0627971 0.1349116 1.1674341 0.0867972 0.0089686 0.0618013 0.9772203 6 Li 0.7261049 -0.0715268 -0.0627971 -0.1349116 1.1674341 -0.0867972 0.0089686 -0.0618013 0.9772203 7 Li 0.7261049 0.0715268 -0.0627971 0.1349116 1.1674341 0.0867972 0.0089686 0.0618013 0.9772203 8 Li 0.7261049 -0.0715268 -0.0627971 -0.1349116 1.1674341 -0.0867972 0.0089686 -0.0618013 0.9772203 9 Li 1.1220417 0.1112525 -0.0220007 0.1744259 0.7382329 -0.0957520 -0.0520446 -0.0238456 0.9736571 10 Li 1.1220417 -0.1112525 -0.0220007 -0.1744259 0.7382329 0.0957520 -0.0520446 0.0238456 0.9736571 11 Li 1.1220417 0.1112525 -0.0220007 0.1744259 0.7382329 -0.0957520 -0.0520446 -0.0238456 0.9736571 12 Li 1.2433676 0.1152381 0.0167588 0.1185946 1.1146153 -0.0148398 0.0041842 -0.0211725 0.9894178 13 O -1.8506959 -1.0152940 0.7157257 -1.0382221 -3.0568915 1.1543236 0.6596476 1.0972797 -2.6210818 14 O -1.8506959 1.0152940 0.7157257 1.0382221 -3.0568915 -1.1543236 0.6596476 -1.0972797 -2.6210818 15 O -1.8506959 -1.0152940 0.7157257 -1.0382221 -3.0568915 1.1543236 0.6596476 1.0972797 -2.6210818 16 O -1.8506959 1.0152940 0.7157257 1.0382221 -3.0568915 -1.1543236 0.6596476 -1.0972797 -2.6210818 17 O -3.7789808 0.0000000 -1.4512344 0.0000000 -1.2810912 0.0000000 -1.3879279 0.0000000 -2.6471849 18 O -3.7789808 0.0000000 -1.4512344 0.0000000 -1.2810912 0.0000000 -1.3879279 0.0000000 -2.6471849 19 O -2.2852956 0.0342960 -0.3666987 0.0394699 -2.1743144 -0.5698032 -0.3717482 -0.5829633 -2.5512883 20 O -2.2852956 -0.0342960 -0.3666987 -0.0394699 -2.1743144 0.5698032 -0.3717482 0.5829633 -2.5512883 21 O -2.2852956 0.0342960 -0.3666987 0.0394699 -2.1743144 -0.5698032 -0.3717482 -0.5829633 -2.5512883 22 O -2.2852956 -0.0342960 -0.3666987 -0.0394699 -2.1743144 0.5698032 -0.3717482 0.5829633 -2.5512883 23 O -1.9154550 0.3713756 0.3531301 0.3667702 -2.3129370 -0.6014516 0.3589109 -0.6143506 -2.0539862 24 O -1.9154550 -0.3713756 0.3531301 -0.3667702 -2.3129370 0.6014516 0.3589109 0.6143506 -2.0539862 25 O -1.9154550 0.3713756 0.3531301 0.3667702 -2.3129370 -0.6014516 0.3589109 -0.6143506 -2.0539862 26 O -1.9154550 -0.3713756 0.3531301 -0.3667702 -2.3129370 0.6014516 0.3589109 0.6143506 -2.0539862 27 Zr 4.8494227 -0.3254221 0.0914990 -0.4002455 5.1644061 -0.2181338 0.0860455 -0.0394607 5.6096535 28 Zr 4.8494227 0.3254221 0.0914990 0.4002455 5.1644061 0.2181338 0.0860455 0.0394607 5.6096535 29 Zr 4.8494227 -0.3254221 0.0914990 -0.4002455 5.1644061 -0.2181338 0.0860455 -0.0394607 5.6096535 30 Zr 4.8494227 0.3254221 0.0914990 0.4002455 5.1644061 0.2181338 0.0860455 0.0394607 5.6096535 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 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: 0.61, Number of G-points: 313, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/141) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 2.271 ( 0.000 0.000 0.000) 0.000 2.590 ( 0.000 0.000 0.000) 0.000 2.618 ( 0.000 0.000 0.000) 0.000 3.410 ( 0.000 0.000 0.000) 0.000 3.819 ( 0.000 0.000 0.000) 0.000 3.910 ( 0.000 0.000 0.000) 0.000 4.014 ( 0.000 0.000 0.000) 0.000 4.325 ( 0.000 0.000 0.000) 0.000 4.838 ( 0.000 0.000 0.000) 0.000 4.955 ( 0.000 0.000 0.000) 0.000 5.742 ( 0.000 0.000 0.000) 0.000 5.749 ( 0.000 0.000 0.000) 0.000 6.074 ( 0.000 0.000 0.000) 0.000 6.117 ( 0.000 0.000 0.000) 0.000 6.350 ( 0.000 0.000 0.000) 0.000 6.624 ( 0.000 0.000 0.000) 0.000 6.652 ( 0.000 0.000 0.000) 0.000 6.752 ( 0.000 0.000 0.000) 0.000 6.836 ( 0.000 0.000 0.000) 0.000 6.894 ( 0.000 0.000 0.000) 0.000 6.899 ( 0.000 0.000 0.000) 0.000 7.251 ( 0.000 0.000 0.000) 0.000 7.535 ( 0.000 0.000 0.000) 0.000 7.809 ( 0.000 0.000 0.000) 0.000 7.898 ( 0.000 0.000 0.000) 0.000 8.249 ( 0.000 0.000 0.000) 0.000 8.555 ( 0.000 0.000 0.000) 0.000 8.834 ( 0.000 0.000 0.000) 0.000 8.870 ( 0.000 0.000 0.000) 0.000 8.877 ( 0.000 0.000 0.000) 0.000 9.149 ( 0.000 0.000 0.000) 0.000 9.345 ( 0.000 0.000 0.000) 0.000 9.681 ( 0.000 0.000 0.000) 0.000 9.695 ( 0.000 0.000 0.000) 0.000 9.889 ( 0.000 0.000 0.000) 0.000 10.065 ( 0.000 0.000 0.000) 0.000 10.079 ( 0.000 0.000 0.000) 0.000 10.384 ( 0.000 0.000 0.000) 0.000 10.516 ( 0.000 0.000 0.000) 0.000 10.548 ( 0.000 0.000 0.000) 0.000 10.569 ( 0.000 0.000 0.000) 0.000 10.723 ( 0.000 0.000 0.000) 0.000 10.840 ( 0.000 0.000 0.000) 0.000 10.999 ( 0.000 0.000 0.000) 0.000 11.149 ( 0.000 0.000 0.000) 0.000 11.227 ( 0.000 0.000 0.000) 0.000 11.228 ( 0.000 0.000 0.000) 0.000 11.418 ( 0.000 0.000 0.000) 0.000 11.552 ( 0.000 0.000 0.000) 0.000 11.569 ( 0.000 0.000 0.000) 0.000 11.689 ( 0.000 0.000 0.000) 0.000 12.259 ( 0.000 0.000 0.000) 0.000 12.379 ( 0.000 0.000 0.000) 0.000 12.420 ( 0.000 0.000 0.000) 0.000 12.660 ( 0.000 0.000 0.000) 0.000 12.667 ( 0.000 0.000 0.000) 0.000 12.723 ( 0.000 0.000 0.000) 0.000 13.246 ( 0.000 0.000 0.000) 0.000 13.331 ( 0.000 0.000 0.000) 0.000 13.605 ( 0.000 0.000 0.000) 0.000 13.715 ( 0.000 0.000 0.000) 0.000 13.728 ( 0.000 0.000 0.000) 0.000 13.754 ( 0.000 0.000 0.000) 0.000 13.846 ( 0.000 0.000 0.000) 0.000 13.891 ( 0.000 0.000 0.000) 0.000 14.358 ( 0.000 0.000 0.000) 0.000 14.615 ( 0.000 0.000 0.000) 0.000 14.837 ( 0.000 0.000 0.000) 0.000 14.862 ( 0.000 0.000 0.000) 0.000 14.952 ( 0.000 0.000 0.000) 0.000 14.999 ( 0.000 0.000 0.000) 0.000 15.244 ( 0.000 0.000 0.000) 0.000 15.649 ( 0.000 0.000 0.000) 0.000 15.804 ( 0.000 0.000 0.000) 0.000 16.030 ( 0.000 0.000 0.000) 0.000 16.166 ( 0.000 0.000 0.000) 0.000 16.768 ( 0.000 0.000 0.000) 0.000 17.134 ( 0.000 0.000 0.000) 0.000 17.232 ( 0.000 0.000 0.000) 0.000 17.413 ( 0.000 0.000 0.000) 0.000 17.483 ( 0.000 0.000 0.000) 0.000 17.674 ( 0.000 0.000 0.000) 0.000 18.821 ( 0.000 0.000 0.000) 0.000 18.903 ( 0.000 0.000 0.000) 0.000 21.170 ( 0.000 0.000 0.000) 0.000 22.836 ( 0.000 0.000 0.000) 0.000 24.193 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/141) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( 14.847 -35.026 9.136) 39.125 0.844 ( 21.564 -35.466 8.019) 42.274 1.511 ( 39.756 -63.333 4.213) 74.896 2.401 ( 7.286 -8.128 6.029) 12.470 2.733 ( 15.983 -10.147 -0.849) 18.951 2.806 ( 6.955 -13.205 -2.602) 15.150 3.542 ( -1.355 -16.331 -5.751) 17.367 3.844 ( 5.263 -0.035 -2.926) 6.022 4.069 ( 10.458 -9.091 -4.786) 14.660 4.179 ( 18.399 2.699 3.483) 18.920 4.373 ( 3.819 -3.119 4.909) 6.958 4.878 ( -0.095 -3.518 -4.028) 5.349 5.413 ( -6.964 -12.193 -11.473) 18.133 5.598 ( -6.832 2.775 -9.324) 11.887 5.843 ( 6.397 0.496 11.444) 13.120 6.028 ( -3.962 1.638 -7.795) 8.896 6.102 ( -1.109 3.569 13.948) 14.440 6.356 ( 3.016 -0.207 -5.319) 6.118 6.684 ( 0.604 -1.947 5.747) 6.098 6.732 ( 5.558 -5.225 6.608) 10.093 6.851 ( -2.358 -3.147 1.696) 4.283 6.894 ( 2.873 1.349 -0.068) 3.175 6.972 ( -1.612 -3.017 14.323) 14.726 7.007 ( 5.545 -8.959 -4.996) 11.661 7.272 ( 0.446 -2.337 0.135) 2.383 7.721 ( -1.191 1.915 1.798) 2.884 7.939 ( -7.182 -4.423 7.137) 11.049 8.172 ( -2.574 6.238 -0.884) 6.806 8.514 ( -3.696 -0.839 2.347) 4.458 8.543 ( -1.883 -2.948 -12.153) 12.646 8.762 ( -2.497 2.929 -1.754) 4.230 8.830 ( -2.249 -2.469 -6.883) 7.651 9.147 ( -4.885 -14.745 -2.965) 15.813 9.233 ( 2.300 -4.597 2.998) 5.951 9.389 ( -3.079 -3.007 2.673) 5.067 9.667 ( -0.689 1.942 -0.370) 2.094 9.781 ( 7.926 -5.080 0.633) 9.436 9.897 ( -1.482 -1.319 -2.093) 2.884 10.096 ( 2.592 -0.858 0.209) 2.739 10.127 ( 5.617 -1.302 -2.026) 6.111 10.436 ( -0.494 -0.169 3.973) 4.007 10.503 ( 0.034 1.815 -0.502) 1.884 10.570 ( -5.507 -2.102 1.622) 6.114 10.741 ( -3.528 -5.276 1.617) 6.550 10.755 ( 0.021 -1.379 -4.865) 5.057 10.890 ( -5.394 -6.377 3.867) 9.204 10.980 ( -0.829 7.520 4.659) 8.885 11.086 ( 7.544 2.026 -4.155) 8.848 11.298 ( 2.027 -5.905 -0.137) 6.245 11.388 ( 6.281 -6.795 1.889) 9.445 11.420 ( -2.045 -2.393 1.935) 3.695 11.594 ( -1.192 -5.345 -0.503) 5.499 11.750 ( 1.849 -10.701 -1.227) 10.929 12.079 ( 4.464 3.693 -0.621) 5.826 12.286 ( 5.802 -1.207 -0.418) 5.941 12.380 ( 1.054 0.236 1.252) 1.654 12.441 ( -0.241 -2.677 -0.029) 2.688 12.663 ( 0.988 0.713 -0.475) 1.308 12.721 ( -0.970 -1.848 -4.679) 5.123 12.992 ( 13.074 8.447 3.877) 16.041 13.258 ( -0.780 -1.362 0.031) 1.570 13.452 ( -4.165 -1.701 -2.961) 5.386 13.581 ( -0.637 6.818 -3.517) 7.698 13.673 ( -1.462 4.985 8.713) 10.145 13.745 ( 3.281 6.437 -2.204) 7.553 13.830 ( -3.170 -1.139 2.572) 4.237 13.838 ( 1.732 2.878 -2.291) 4.066 14.237 ( -3.173 9.475 -1.701) 10.136 14.502 ( -7.252 7.005 -4.289) 10.957 14.660 ( 0.492 3.838 12.657) 13.235 14.816 ( -1.435 2.241 -0.404) 2.692 14.879 ( 6.181 1.408 0.155) 6.341 14.936 ( 1.847 4.028 1.847) 4.801 15.247 ( 0.352 1.060 -0.004) 1.117 15.497 ( -6.531 7.914 1.045) 10.314 15.658 ( -8.672 2.673 24.435) 26.065 15.759 ( 1.732 6.501 -10.761) 12.691 16.073 ( -3.996 -1.899 -2.430) 5.047 16.107 ( -0.963 4.074 3.012) 5.157 16.944 ( -13.757 9.716 4.190) 17.355 17.110 ( -12.477 -5.263 2.630) 13.794 17.338 ( -4.768 1.612 0.037) 5.033 17.387 ( 10.126 3.273 -6.732) 12.593 17.755 ( 1.579 -8.571 -2.822) 9.161 18.804 ( 0.234 2.316 0.441) 2.369 18.908 ( 0.311 -0.312 -0.397) 0.593 21.023 ( 14.986 -0.269 -1.745) 15.089 22.569 ( -17.325 -13.882 -71.477) 74.845 23.316 ( 8.642 12.385 55.786) 57.794 24.151 ( -2.170 3.484 -0.376) 4.122 ======================= Grid point 2 (3/141) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 11.688 -32.703 6.811) 35.391 1.615 ( 20.566 -30.471 9.366) 37.936 2.567 ( 14.181 -10.462 6.572) 18.809 2.897 ( 31.953 -42.935 5.590) 53.811 3.141 ( 9.426 -16.211 -4.372) 19.255 3.241 ( 23.401 -26.953 -1.292) 35.717 3.869 ( -1.213 -23.831 -7.508) 25.016 3.938 ( 4.136 -6.473 -5.605) 9.509 4.339 ( 20.190 -1.934 -2.825) 20.478 4.356 ( 5.350 -10.895 0.559) 12.151 4.545 ( 10.581 -7.981 8.119) 15.543 4.880 ( -5.842 -2.148 -6.308) 8.862 5.505 ( -5.140 -4.426 8.484) 10.862 5.554 ( 0.555 -1.489 -11.065) 11.178 5.906 ( -1.640 0.700 -0.781) 1.947 5.984 ( -3.568 -9.986 -1.430) 10.700 6.079 ( 2.307 1.098 5.412) 5.985 6.420 ( 7.239 -2.852 -3.710) 8.620 6.720 ( 0.705 -0.587 2.439) 2.606 6.804 ( -0.418 4.889 -1.011) 5.010 6.909 ( 1.386 -6.392 11.193) 12.964 6.953 ( 0.295 -4.473 -1.094) 4.614 7.074 ( 2.827 -8.640 -0.272) 9.095 7.227 ( 4.846 -7.760 3.517) 9.802 7.362 ( 6.942 -6.680 -2.124) 9.865 7.740 ( 4.826 -2.914 -1.885) 5.944 7.847 ( -8.901 5.431 0.614) 10.445 8.078 ( -1.924 3.131 8.570) 9.324 8.453 ( 0.364 6.390 8.364) 10.532 8.564 ( -3.371 -2.425 -8.042) 9.050 8.728 ( -4.411 -2.652 -3.824) 6.412 8.882 ( -0.180 -7.035 -9.412) 11.752 9.271 ( -6.540 -7.071 1.171) 9.703 9.366 ( 2.548 -7.249 1.297) 7.792 9.488 ( 3.259 -7.646 0.132) 8.313 9.608 ( -2.935 2.345 -0.015) 3.757 9.870 ( -3.007 0.491 -3.802) 4.872 9.967 ( 6.786 -6.765 1.247) 9.663 10.169 ( 2.756 -5.112 0.057) 5.808 10.179 ( 4.099 2.406 -1.872) 5.109 10.448 ( 1.374 4.858 -1.418) 5.244 10.506 ( 3.734 -5.403 4.661) 8.053 10.579 ( -4.490 -5.663 1.689) 7.421 10.734 ( 0.482 1.665 -6.882) 7.097 10.856 ( 3.853 -1.743 -3.744) 5.648 10.912 ( 2.549 -4.449 13.232) 14.191 10.949 ( -1.844 -2.935 4.341) 5.556 11.196 ( 7.368 -4.857 -1.554) 8.961 11.419 ( 1.791 -6.104 0.742) 6.405 11.517 ( 1.132 -9.034 3.173) 9.642 11.565 ( 7.313 -6.315 -0.809) 9.696 11.688 ( 2.249 -5.370 -0.717) 5.866 11.939 ( -1.007 -3.691 -0.450) 3.852 12.022 ( 3.636 0.641 0.544) 3.732 12.389 ( 1.995 -2.525 2.455) 4.047 12.408 ( 3.837 -0.739 0.290) 3.918 12.507 ( 1.331 -4.819 -0.662) 5.043 12.655 ( 0.820 1.331 -0.570) 1.664 12.732 ( 0.182 -1.812 -5.312) 5.615 13.017 ( 6.250 -0.456 2.991) 6.944 13.249 ( -6.135 0.530 -2.294) 6.571 13.270 ( -6.375 16.293 -2.100) 17.621 13.471 ( -1.278 1.367 -3.510) 3.978 13.596 ( -2.512 8.950 4.578) 10.362 13.610 ( -1.162 4.263 6.574) 7.921 13.756 ( 1.627 3.284 -3.247) 4.896 13.928 ( 4.039 -2.369 -4.271) 6.338 14.045 ( -4.491 6.338 -6.489) 10.122 14.276 ( -7.522 8.966 4.575) 12.566 14.581 ( -3.656 4.926 4.283) 7.481 14.725 ( -4.903 4.720 -0.512) 6.825 14.825 ( -3.157 8.249 2.317) 9.132 14.927 ( 8.219 2.840 0.144) 8.697 15.182 ( 0.548 6.520 0.602) 6.571 15.313 ( -10.219 4.414 -4.279) 11.926 15.551 ( -4.760 5.659 13.592) 15.473 15.596 ( -3.712 10.184 -2.185) 11.058 15.895 ( -3.582 13.092 0.176) 13.575 16.079 ( -5.738 1.264 -1.867) 6.165 16.568 ( -13.754 17.810 0.438) 22.507 17.094 ( -9.024 -5.091 2.559) 10.673 17.301 ( -0.693 -0.083 0.249) 0.741 17.453 ( 6.840 -2.755 -3.759) 8.277 17.905 ( 3.056 -6.609 -0.589) 7.305 18.746 ( -0.906 4.378 0.881) 4.557 18.911 ( 1.124 0.753 -0.516) 1.448 21.209 ( 11.783 -5.720 2.248) 13.290 22.479 ( -11.572 -3.222 -36.373) 38.305 23.275 ( 1.372 6.712 25.918) 26.809 24.047 ( -3.026 5.251 -0.709) 6.101 ======================= Grid point 3 (4/141) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( 8.097 -23.077 3.677) 24.731 2.305 ( 18.339 -27.484 11.764) 35.072 2.822 ( 8.227 -8.200 9.147) 14.785 3.448 ( 6.686 -12.236 -6.791) 15.510 3.725 ( 32.787 -19.913 -2.283) 38.428 3.943 ( 8.810 -23.691 0.241) 25.277 4.062 ( 0.431 -8.190 -16.077) 18.048 4.300 ( 10.427 -21.463 -1.894) 23.937 4.440 ( 1.757 -5.627 -1.424) 6.064 4.608 ( 10.488 -0.240 2.151) 10.709 4.830 ( 13.347 -13.360 -3.483) 19.203 4.994 ( 4.818 -14.494 13.238) 20.212 5.460 ( -5.560 5.284 5.598) 9.496 5.555 ( -5.543 -3.082 -4.471) 7.760 5.865 ( -3.448 -2.517 -1.816) 4.640 6.110 ( 3.857 0.081 0.087) 3.859 6.259 ( 0.288 -19.427 -1.959) 19.527 6.563 ( 7.618 -4.089 1.631) 8.799 6.654 ( 0.467 8.013 -6.407) 10.270 6.767 ( -0.651 -3.529 -0.773) 3.671 6.975 ( 0.804 -0.850 8.141) 8.225 7.071 ( 0.661 -6.724 3.090) 7.429 7.260 ( 2.294 -5.999 -0.472) 6.440 7.325 ( -1.329 -4.427 1.949) 5.016 7.595 ( 13.366 -4.908 -3.756) 14.726 7.683 ( -4.012 2.766 -0.185) 4.876 7.956 ( 8.679 -15.301 -2.667) 17.792 8.024 ( -0.821 3.472 12.437) 12.938 8.350 ( -0.004 7.358 6.745) 9.982 8.529 ( -7.766 -2.183 -2.290) 8.386 8.723 ( -1.721 -1.146 -9.462) 9.686 9.011 ( 1.364 -8.044 -5.168) 9.657 9.294 ( -8.057 -3.743 3.344) 9.492 9.490 ( -0.505 3.669 0.742) 3.777 9.502 ( 5.499 -0.517 -3.060) 6.314 9.673 ( -4.893 -9.563 -1.515) 10.849 9.849 ( 1.130 -0.777 -0.415) 1.433 10.114 ( 3.893 1.820 1.134) 4.445 10.141 ( -0.226 -4.787 0.482) 4.816 10.308 ( 2.482 -7.577 -1.651) 8.142 10.387 ( 2.666 3.785 -1.106) 4.760 10.650 ( -2.678 -5.594 1.973) 6.508 10.686 ( 4.182 1.228 -2.509) 5.029 10.726 ( 8.070 -7.491 0.748) 11.036 10.854 ( 1.312 0.069 -2.098) 2.476 11.010 ( -1.406 -5.569 -0.457) 5.762 11.172 ( 10.494 -11.511 9.874) 18.443 11.329 ( 3.874 -4.126 -0.126) 5.661 11.546 ( -0.101 -5.210 3.334) 6.187 11.646 ( -5.097 -6.039 0.239) 7.906 11.742 ( 5.570 -4.690 3.756) 8.193 11.788 ( 4.692 6.488 3.078) 8.578 11.853 ( 4.045 -5.370 -5.328) 8.578 12.194 ( 5.721 -8.387 -0.542) 10.167 12.359 ( -6.488 4.004 0.710) 7.657 12.419 ( 2.735 3.663 1.520) 4.817 12.590 ( -1.609 -2.430 -1.308) 3.194 12.641 ( 1.220 -0.373 0.617) 1.417 12.805 ( 0.033 -6.046 -1.021) 6.132 12.904 ( -5.837 14.981 0.122) 16.078 13.119 ( 4.492 -2.258 -0.029) 5.028 13.161 ( -7.038 1.704 -4.662) 8.612 13.420 ( 0.916 5.150 -0.850) 5.300 13.438 ( 0.017 5.746 2.840) 6.410 13.575 ( 4.603 2.430 3.865) 6.483 13.731 ( -2.279 2.765 -5.362) 6.449 13.849 ( -3.877 -0.695 -6.396) 7.511 13.969 ( -3.874 2.916 2.179) 5.316 14.187 ( 5.435 3.226 4.811) 7.943 14.463 ( -2.239 6.158 0.185) 6.555 14.593 ( -7.277 1.946 0.497) 7.549 14.628 ( -8.240 7.635 -1.943) 11.400 14.909 ( 4.513 7.705 -0.768) 8.963 15.080 ( -0.018 6.427 0.187) 6.430 15.123 ( -7.642 5.694 0.962) 9.578 15.355 ( -6.762 10.216 -2.919) 12.595 15.446 ( -4.564 4.413 11.043) 12.737 15.605 ( -2.941 16.839 -0.190) 17.095 15.926 ( -5.796 9.120 -6.835) 12.786 16.139 ( -13.844 16.205 1.179) 21.346 17.122 ( -6.496 -6.092 4.195) 9.844 17.319 ( -0.465 -2.481 -1.163) 2.779 17.599 ( 7.712 -6.816 -2.491) 10.590 18.028 ( 3.277 -4.590 -0.679) 5.680 18.638 ( -2.888 6.601 1.050) 7.281 18.902 ( 1.905 1.918 -0.032) 2.703 21.432 ( 10.270 -7.155 4.984) 13.472 22.329 ( -10.423 2.233 -23.454) 25.763 23.212 ( -1.419 4.726 14.214) 15.046 23.932 ( -2.506 4.786 -0.782) 5.459 ======================= Grid point 4 (5/141) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.403 ( 4.461 -10.671 2.026) 11.742 2.888 ( 11.252 -16.797 12.239) 23.634 3.050 ( 8.152 -12.245 6.008) 15.890 3.654 ( 0.545 -8.821 -4.169) 9.771 3.933 ( -5.448 9.661 -19.309) 22.268 4.178 ( 6.330 -7.121 -4.648) 10.601 4.332 ( 16.337 -12.856 -0.457) 20.794 4.600 ( 6.549 -7.236 4.053) 10.568 4.640 ( 4.363 -2.068 -2.295) 5.346 4.773 ( 13.935 -11.033 2.503) 17.950 5.112 ( -2.233 -6.594 1.935) 7.226 5.290 ( 0.647 -4.109 13.330) 13.964 5.382 ( 4.304 -6.938 -1.701) 8.339 5.513 ( -5.211 0.173 -2.526) 5.794 5.927 ( -3.397 -5.277 -0.482) 6.294 6.108 ( 2.059 1.802 -2.362) 3.615 6.443 ( -2.007 -0.034 -1.639) 2.591 6.625 ( 2.379 -8.969 -0.478) 9.291 6.687 ( 4.828 -2.153 -3.423) 6.297 6.839 ( -1.102 -4.207 -1.553) 4.617 7.021 ( 1.683 -0.167 4.557) 4.861 7.164 ( -1.207 -3.338 2.799) 4.520 7.273 ( 1.228 2.651 1.336) 3.213 7.366 ( 0.800 -1.896 -1.446) 2.515 7.717 ( -0.988 -7.015 0.304) 7.091 7.737 ( 5.809 -0.861 -0.136) 5.874 8.027 ( 3.435 -1.934 7.541) 8.509 8.223 ( -1.695 5.075 3.236) 6.253 8.303 ( 9.689 -4.807 -0.383) 10.823 8.575 ( -4.478 -14.678 0.686) 15.362 8.709 ( 1.182 -0.883 -10.092) 10.200 9.114 ( 4.438 0.827 -0.785) 4.582 9.252 ( -10.582 -2.376 3.360) 11.354 9.375 ( -0.551 6.184 -2.148) 6.569 9.562 ( 2.659 -0.737 -0.933) 2.912 9.684 ( -6.716 0.266 -1.501) 6.887 9.878 ( 2.035 0.012 0.882) 2.218 10.155 ( 1.592 -4.353 0.997) 4.741 10.257 ( -2.539 -8.177 -1.113) 8.634 10.385 ( 3.105 -1.111 -0.464) 3.330 10.433 ( 7.982 -0.868 -1.749) 8.218 10.636 ( -0.745 3.823 -0.477) 3.924 10.666 ( -4.438 1.844 2.677) 5.502 10.904 ( 6.050 -5.302 -6.102) 10.097 10.977 ( 8.718 -5.356 -0.291) 10.236 11.121 ( 2.606 -5.649 3.282) 7.034 11.364 ( 1.558 -0.620 5.334) 5.591 11.449 ( -5.373 0.236 4.031) 6.721 11.506 ( 1.894 -1.856 1.717) 3.159 11.608 ( -4.845 -3.941 -5.683) 8.444 11.798 ( 1.298 -3.293 -1.521) 3.853 11.895 ( 4.191 -2.415 2.311) 5.361 12.012 ( 7.308 -2.359 1.764) 7.879 12.218 ( -4.566 0.719 -0.112) 4.623 12.347 ( 0.485 -3.591 3.121) 4.782 12.397 ( 4.674 0.736 0.955) 4.827 12.535 ( -3.978 5.196 -0.400) 6.556 12.589 ( -2.323 7.727 0.553) 8.088 12.737 ( -1.982 0.888 1.249) 2.505 12.862 ( -2.159 0.931 0.505) 2.404 13.089 ( -1.355 -4.091 -2.498) 4.981 13.132 ( -1.888 3.052 -6.296) 7.247 13.369 ( -0.363 0.488 4.290) 4.333 13.432 ( 6.981 -0.042 -3.048) 7.618 13.563 ( 1.071 3.601 -0.031) 3.757 13.726 ( 3.848 -4.549 1.615) 6.173 13.861 ( -2.268 1.380 -2.008) 3.329 13.979 ( 3.536 -6.252 0.966) 7.247 14.160 ( 2.514 4.036 3.064) 5.657 14.325 ( -4.422 4.731 2.895) 7.093 14.401 ( -7.365 7.773 -6.280) 12.414 14.579 ( -8.385 -4.460 -1.923) 9.690 14.770 ( 2.195 9.699 -0.018) 9.945 14.903 ( -6.549 9.299 -1.211) 11.438 15.071 ( 3.274 -0.974 6.026) 6.926 15.180 ( -4.391 2.781 -1.877) 5.526 15.303 ( 0.102 15.396 -0.452) 15.403 15.372 ( -4.631 1.696 4.776) 6.865 15.678 ( -1.499 12.285 -4.127) 13.046 15.798 ( -11.984 9.372 -1.332) 15.272 17.168 ( -3.154 -3.596 3.363) 5.848 17.359 ( -1.072 -3.077 -1.364) 3.532 17.799 ( 7.132 -7.564 -1.000) 10.444 18.123 ( 2.294 -4.025 -1.480) 4.864 18.477 ( -4.154 8.469 1.160) 9.504 18.888 ( 1.539 1.669 0.401) 2.305 21.662 ( 9.418 -7.672 7.446) 14.248 22.128 ( -9.862 5.746 -15.742) 19.444 23.150 ( -1.586 2.716 6.479) 7.202 23.847 ( -1.342 2.739 -0.497) 3.090 ======================= Grid point 5 (6/141) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.515 ( 0.000 -0.000 0.000) 0.000 3.031 ( 0.000 -0.000 0.000) 0.000 3.395 ( -0.000 0.000 -0.000) 0.000 3.618 ( 0.000 -0.000 0.000) 0.000 3.785 ( 0.000 -0.000 0.000) 0.000 4.248 ( -0.000 -0.000 0.000) 0.000 4.536 ( 0.000 -0.000 -0.000) 0.000 4.618 ( 0.000 -0.000 0.000) 0.000 4.850 ( -0.000 0.000 0.000) 0.000 4.940 ( 0.000 0.000 0.000) 0.000 4.998 ( 0.000 -0.000 -0.000) 0.000 5.395 ( -0.000 0.000 0.000) 0.000 5.480 ( 0.000 0.000 0.000) 0.000 5.512 ( 0.000 -0.000 -0.000) 0.000 5.869 ( 0.000 -0.000 -0.000) 0.000 6.158 ( 0.000 -0.000 0.000) 0.000 6.416 ( 0.000 -0.000 0.000) 0.000 6.734 ( -0.000 -0.000 0.000) 0.000 6.737 ( 0.000 0.000 -0.000) 0.000 6.875 ( 0.000 -0.000 -0.000) 0.000 6.992 ( 0.000 -0.000 0.000) 0.000 7.175 ( 0.000 -0.000 0.000) 0.000 7.263 ( 0.000 -0.000 0.000) 0.000 7.417 ( 0.000 -0.000 0.000) 0.000 7.727 ( 0.000 -0.000 -0.000) 0.000 7.821 ( 0.000 -0.000 0.000) 0.000 8.092 ( -0.000 -0.000 0.000) 0.000 8.161 ( 0.000 -0.000 0.000) 0.000 8.354 ( -0.000 0.000 -0.000) 0.000 8.670 ( 0.000 -0.000 -0.000) 0.000 8.864 ( 0.000 -0.000 0.000) 0.000 9.028 ( -0.000 0.000 0.000) 0.000 9.244 ( -0.000 -0.000 0.000) 0.000 9.303 ( 0.000 -0.000 0.000) 0.000 9.599 ( -0.000 -0.000 0.000) 0.000 9.610 ( 0.000 -0.000 0.000) 0.000 9.890 ( 0.000 -0.000 -0.000) 0.000 10.208 ( 0.000 -0.000 0.000) 0.000 10.319 ( 0.000 -0.000 0.000) 0.000 10.462 ( 0.000 0.000 0.000) 0.000 10.488 ( -0.000 -0.000 -0.000) 0.000 10.556 ( 0.000 0.000 -0.000) 0.000 10.588 ( -0.000 -0.000 0.000) 0.000 11.017 ( 0.000 -0.000 -0.000) 0.000 11.076 ( -0.000 0.000 0.000) 0.000 11.174 ( 0.000 -0.000 0.000) 0.000 11.253 ( -0.000 0.000 0.000) 0.000 11.538 ( 0.000 -0.000 0.000) 0.000 11.546 ( -0.000 0.000 -0.000) 0.000 11.626 ( 0.000 -0.000 0.000) 0.000 11.812 ( 0.000 -0.000 0.000) 0.000 11.862 ( 0.000 0.000 0.000) 0.000 12.117 ( 0.000 0.000 0.000) 0.000 12.289 ( 0.000 -0.000 0.000) 0.000 12.346 ( -0.000 -0.000 0.000) 0.000 12.386 ( 0.000 0.000 -0.000) 0.000 12.469 ( -0.000 0.000 -0.000) 0.000 12.476 ( 0.000 -0.000 0.000) 0.000 12.720 ( 0.000 -0.000 0.000) 0.000 12.815 ( -0.000 0.000 -0.000) 0.000 13.067 ( 0.000 -0.000 -0.000) 0.000 13.163 ( 0.000 -0.000 -0.000) 0.000 13.375 ( 0.000 -0.000 0.000) 0.000 13.504 ( -0.000 0.000 0.000) 0.000 13.533 ( 0.000 -0.000 -0.000) 0.000 13.794 ( -0.000 -0.000 -0.000) 0.000 13.805 ( 0.000 -0.000 0.000) 0.000 14.090 ( 0.000 -0.000 0.000) 0.000 14.155 ( 0.000 -0.000 0.000) 0.000 14.252 ( 0.000 -0.000 -0.000) 0.000 14.348 ( -0.000 0.000 0.000) 0.000 14.446 ( 0.000 -0.000 0.000) 0.000 14.728 ( 0.000 -0.000 0.000) 0.000 14.788 ( 0.000 -0.000 0.000) 0.000 15.112 ( 0.000 -0.000 -0.000) 0.000 15.150 ( 0.000 -0.000 0.000) 0.000 15.169 ( -0.000 -0.000 -0.000) 0.000 15.317 ( 0.000 -0.000 0.000) 0.000 15.586 ( -0.000 -0.000 -0.000) 0.000 15.613 ( 0.000 -0.000 0.000) 0.000 17.186 ( -0.000 -0.000 0.000) 0.000 17.381 ( 0.000 -0.000 0.000) 0.000 17.915 ( 0.000 -0.000 -0.000) 0.000 18.197 ( 0.000 -0.000 -0.000) 0.000 18.339 ( 0.000 -0.000 -0.000) 0.000 18.881 ( 0.000 -0.000 0.000) 0.000 21.878 ( 0.000 -0.000 0.000) 0.000 21.917 ( -0.000 0.000 -0.000) 0.000 23.124 ( 0.000 -0.000 0.000) 0.000 23.817 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 12 (7/141) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( 35.466 -0.000 16.172) 38.979 0.854 ( 41.479 -0.000 7.281) 42.113 1.532 ( 74.757 -0.000 13.482) 75.963 2.506 ( 20.929 -0.000 7.997) 22.405 2.828 ( 22.353 -0.000 1.927) 22.435 2.837 ( 22.421 -0.000 -5.051) 22.983 3.373 ( -1.123 0.000 -8.501) 8.575 3.935 ( 4.197 -0.000 -9.151) 10.067 3.978 ( 8.340 -0.000 7.775) 11.402 4.402 ( 5.792 -0.000 8.268) 10.095 4.783 ( 15.794 -0.000 -34.789) 38.207 4.868 ( 4.320 -0.000 -5.542) 7.027 4.952 ( -0.235 0.000 -0.211) 0.316 5.500 ( -8.466 0.000 -12.432) 15.041 5.960 ( 5.428 -0.000 8.584) 10.156 5.972 ( -6.858 0.000 -7.623) 10.254 6.170 ( -6.538 0.000 27.694) 28.455 6.365 ( 3.629 -0.000 -11.551) 12.107 6.694 ( 2.992 -0.000 11.078) 11.475 6.767 ( 1.258 -0.000 5.788) 5.923 6.800 ( -3.532 0.000 1.937) 4.028 6.956 ( 3.275 -0.000 8.998) 9.576 6.959 ( 5.570 -0.000 -2.293) 6.023 6.990 ( -0.419 0.000 44.067) 44.069 7.261 ( 1.475 -0.000 1.318) 1.978 7.558 ( 3.289 -0.000 -4.658) 5.702 7.922 ( 2.624 -0.000 -1.557) 3.052 8.164 ( -8.091 0.000 -4.245) 9.137 8.336 ( 5.164 -0.000 -25.588) 26.104 8.589 ( 2.556 -0.000 7.080) 7.527 8.724 ( -8.824 0.000 -13.516) 16.141 8.857 ( -1.439 0.000 1.185) 1.865 8.958 ( 6.436 -0.000 2.056) 6.757 9.243 ( 3.238 -0.000 -1.397) 3.527 9.317 ( -1.795 0.000 6.259) 6.511 9.735 ( 4.177 -0.000 -4.019) 5.796 9.798 ( 9.465 -0.000 1.526) 9.587 9.814 ( -5.208 0.000 0.166) 5.210 10.163 ( 6.622 -0.000 -2.094) 6.945 10.189 ( 5.120 -0.000 -1.630) 5.373 10.327 ( -3.933 0.000 -2.769) 4.810 10.511 ( -0.111 0.000 4.760) 4.761 10.512 ( -6.794 0.000 5.936) 9.022 10.623 ( 5.207 -0.000 4.771) 7.062 10.804 ( -2.942 0.000 1.784) 3.441 10.817 ( 7.526 -0.000 6.044) 9.652 11.056 ( -3.033 0.000 -4.035) 5.047 11.134 ( 3.004 -0.000 0.747) 3.095 11.237 ( 1.642 -0.000 -1.777) 2.420 11.416 ( 8.376 -0.000 4.659) 9.584 11.485 ( 7.997 -0.000 -1.305) 8.103 11.561 ( 4.668 -0.000 -0.996) 4.773 11.716 ( 9.812 -0.000 0.540) 9.827 12.176 ( 3.467 -0.000 -3.079) 4.637 12.302 ( 4.337 -0.000 3.776) 5.751 12.397 ( 1.573 -0.000 2.270) 2.762 12.416 ( 0.022 -0.000 0.091) 0.094 12.660 ( -0.053 0.000 -1.919) 1.919 12.736 ( 3.628 -0.000 -3.739) 5.210 13.133 ( -8.307 0.000 -4.897) 9.643 13.323 ( -0.788 0.000 -0.560) 0.966 13.371 ( 3.137 -0.000 -3.545) 4.733 13.589 ( -9.125 0.000 1.213) 9.206 13.692 ( -2.971 0.000 -2.183) 3.687 13.781 ( -4.297 0.000 13.555) 14.220 13.809 ( -6.222 0.000 2.300) 6.633 13.880 ( 7.476 -0.000 -8.230) 11.119 14.203 ( -12.984 0.000 -10.459) 16.672 14.519 ( -7.461 0.000 3.568) 8.271 14.756 ( -7.403 0.000 1.670) 7.589 14.840 ( -1.742 0.000 -0.685) 1.872 14.979 ( -0.774 0.000 2.000) 2.145 15.029 ( 1.630 -0.000 -2.201) 2.739 15.227 ( -1.956 0.000 1.512) 2.472 15.522 ( -11.571 0.000 -3.050) 11.966 15.548 ( -14.925 0.000 69.193) 70.785 15.800 ( -3.406 0.000 -9.600) 10.186 16.003 ( -1.344 0.000 -7.014) 7.142 16.084 ( -9.456 0.000 9.860) 13.661 16.765 ( -1.751 0.000 -9.254) 9.418 17.087 ( -4.206 0.000 2.374) 4.830 17.208 ( -13.087 0.000 -0.279) 13.090 17.580 ( 4.634 -0.000 3.549) 5.837 17.633 ( 9.185 -0.000 -11.947) 15.069 18.832 ( 1.063 -0.000 0.985) 1.449 18.918 ( 1.672 -0.000 -1.391) 2.175 21.283 ( 10.269 -0.000 3.019) 10.704 22.157 ( 15.904 -0.000 -85.704) 87.167 23.577 ( -11.977 0.000 51.744) 53.112 24.098 ( -9.021 0.000 -2.474) 9.354 ======================= Grid point 13 (8/141) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( 30.686 -17.848 11.007) 37.167 1.492 ( 35.575 -21.653 9.457) 42.707 2.524 ( 53.096 -31.695 8.338) 62.396 2.731 ( 23.984 1.478 10.497) 26.222 3.129 ( 26.540 -7.202 -4.311) 27.836 3.218 ( 30.311 -13.968 -0.757) 33.383 3.495 ( 0.540 -16.044 -7.623) 17.771 3.926 ( 5.932 0.703 -7.879) 9.887 4.220 ( 7.197 -11.469 4.221) 14.182 4.521 ( 7.221 -5.218 11.563) 14.597 4.628 ( 22.653 10.576 -7.893) 26.216 4.873 ( 3.032 2.751 -8.483) 9.419 5.270 ( -2.108 -16.166 -9.542) 18.890 5.468 ( -2.878 -5.913 -9.088) 11.217 5.876 ( -6.837 0.921 -3.132) 7.576 5.947 ( -1.666 4.954 8.782) 10.220 6.124 ( -0.561 1.379 10.071) 10.180 6.413 ( 4.427 -3.244 -9.580) 11.041 6.753 ( 1.424 0.720 4.140) 4.437 6.799 ( 0.332 -2.890 1.367) 3.215 6.846 ( 2.479 -4.791 14.087) 15.084 6.977 ( 4.970 2.406 -1.407) 5.699 7.015 ( 0.475 -2.765 11.945) 12.270 7.135 ( 4.675 -6.721 1.512) 8.326 7.342 ( 9.390 -5.099 3.519) 11.250 7.681 ( -1.645 -6.760 0.840) 7.008 7.902 ( 1.898 5.535 -2.682) 6.437 8.062 ( -7.446 -0.744 0.787) 7.525 8.410 ( 0.369 -7.470 -15.716) 17.405 8.560 ( -3.235 4.643 3.066) 6.436 8.696 ( -4.640 -7.113 -9.868) 13.020 8.744 ( 0.352 7.588 1.957) 7.844 9.108 ( -0.847 -6.688 2.658) 7.247 9.318 ( 6.213 -3.837 -0.816) 7.348 9.370 ( 0.751 -5.629 5.222) 7.715 9.714 ( 3.045 4.631 -3.958) 6.810 9.807 ( -2.830 -2.109 -3.074) 4.680 9.938 ( 8.111 -3.515 1.307) 8.936 10.194 ( 6.715 1.066 -0.889) 6.857 10.271 ( 7.115 0.972 1.244) 7.288 10.364 ( -5.324 -8.796 0.705) 10.306 10.442 ( -4.999 -2.746 3.640) 6.766 10.550 ( 3.177 -0.588 0.335) 3.249 10.752 ( 4.894 -3.663 4.823) 7.787 10.800 ( -0.959 -2.922 0.960) 3.222 10.895 ( 4.707 0.358 0.611) 4.760 10.983 ( 0.853 2.941 5.012) 5.873 11.197 ( 6.904 -2.905 -2.074) 7.772 11.340 ( 2.534 -7.939 -0.319) 8.340 11.477 ( 6.152 1.825 3.938) 7.529 11.571 ( 10.337 -2.500 -1.791) 10.785 11.661 ( 6.553 -3.930 -0.608) 7.665 11.873 ( 8.085 -6.068 -0.504) 10.122 12.146 ( 3.921 6.116 1.408) 7.400 12.367 ( 1.121 -1.037 4.269) 4.534 12.430 ( 3.440 -0.872 2.183) 4.166 12.462 ( 4.173 -3.428 -0.557) 5.430 12.638 ( -1.758 0.923 -1.858) 2.719 12.761 ( 3.295 0.801 -5.697) 6.630 13.028 ( -6.200 -0.008 -1.549) 6.390 13.243 ( -1.619 4.893 0.320) 5.164 13.386 ( -3.167 1.295 -2.106) 4.018 13.478 ( -5.906 5.757 -4.409) 9.352 13.624 ( -5.920 2.469 4.106) 7.616 13.713 ( -5.090 2.606 1.254) 5.854 13.747 ( -5.816 0.108 6.840) 8.978 13.951 ( 7.499 0.203 -8.590) 11.405 14.017 ( -12.386 3.065 -9.847) 16.118 14.398 ( -5.091 6.634 4.802) 9.643 14.622 ( -5.322 5.381 3.774) 8.457 14.758 ( -4.407 4.468 -1.075) 6.367 14.911 ( -5.193 6.163 2.210) 8.357 15.005 ( 3.160 0.520 0.792) 3.299 15.220 ( -7.234 -0.095 -1.620) 7.414 15.305 ( -8.682 7.118 0.051) 11.227 15.558 ( -11.002 -0.681 27.882) 29.982 15.703 ( -4.693 5.891 -4.601) 8.826 15.943 ( -7.777 1.168 -1.728) 8.051 16.029 ( -8.577 0.372 4.600) 9.740 16.618 ( -17.850 7.730 -5.197) 20.134 17.004 ( -1.456 1.991 -1.312) 2.793 17.185 ( -8.342 -5.766 1.811) 10.301 17.557 ( 8.537 4.203 -0.054) 9.516 17.818 ( 5.401 -8.311 -2.592) 10.245 18.815 ( 1.019 3.511 1.112) 3.822 18.933 ( 2.254 0.162 -1.508) 2.717 21.344 ( 16.330 3.493 2.724) 16.921 22.248 ( 1.182 -7.023 -45.513) 46.067 23.442 ( -5.828 9.014 27.838) 29.835 24.017 ( -10.949 -1.088 -1.294) 11.079 ======================= Grid point 14 (9/141) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( 27.064 -20.240 7.992) 34.727 2.175 ( 31.291 -18.129 8.976) 37.260 2.945 ( 21.463 1.145 13.243) 25.246 3.304 ( 15.540 -15.461 -4.187) 22.317 3.643 ( 29.340 -21.254 -6.701) 36.843 3.799 ( 30.873 -17.048 -1.138) 35.285 3.840 ( 2.475 -18.225 -4.296) 18.887 4.045 ( 11.824 -13.455 -5.519) 18.742 4.387 ( 1.990 -2.805 -3.660) 5.022 4.721 ( 13.439 -3.299 3.058) 14.172 4.833 ( 4.325 -3.173 4.877) 7.250 4.874 ( 19.964 -7.788 -0.328) 21.432 5.408 ( -4.618 -6.502 -5.045) 9.437 5.494 ( -5.829 2.437 2.376) 6.750 5.819 ( -4.269 -0.343 -4.103) 5.931 5.965 ( 1.567 -11.418 2.622) 11.820 6.155 ( 3.932 -1.261 2.106) 4.635 6.520 ( 2.160 -6.254 -3.578) 7.522 6.737 ( -3.299 -0.137 0.944) 3.434 6.786 ( 3.341 6.722 -7.703) 10.756 6.991 ( 4.715 -1.980 10.677) 11.838 7.001 ( 2.105 -4.165 5.486) 7.202 7.116 ( 1.600 -7.046 -0.258) 7.230 7.269 ( -0.235 -6.379 6.966) 9.448 7.638 ( 18.633 -9.946 -1.765) 21.195 7.707 ( -3.489 1.883 1.240) 4.154 7.842 ( 5.617 -2.443 -5.909) 8.511 8.054 ( -2.697 -0.171 9.244) 9.631 8.424 ( -7.693 4.739 2.081) 9.272 8.485 ( -0.271 -1.643 -12.581) 12.691 8.658 ( -1.758 0.432 -0.441) 1.863 8.788 ( -3.964 -9.652 -4.085) 11.205 9.178 ( -4.164 -4.998 4.140) 7.711 9.459 ( 5.618 -5.084 -0.706) 7.610 9.506 ( 0.650 -7.502 1.767) 7.735 9.638 ( 2.216 6.141 -4.869) 8.144 9.808 ( 0.162 -0.967 -2.280) 2.482 10.041 ( 2.103 -2.106 2.070) 3.625 10.177 ( -2.988 4.742 1.930) 5.928 10.302 ( 6.364 -1.991 1.411) 6.816 10.508 ( -2.335 -9.043 -2.453) 9.656 10.540 ( 11.372 -0.493 -1.908) 11.542 10.667 ( 10.111 -9.450 2.411) 14.048 10.740 ( 1.138 4.403 -0.334) 4.560 10.857 ( 0.708 -2.518 -4.742) 5.416 10.956 ( 1.386 -0.615 10.182) 10.295 11.083 ( 7.942 -9.344 3.352) 12.713 11.322 ( 6.394 -3.333 1.201) 7.310 11.493 ( 1.105 -5.742 0.044) 5.848 11.544 ( 5.121 -1.599 3.879) 6.620 11.717 ( 3.853 -4.273 4.552) 7.336 11.805 ( 8.197 -6.495 -5.878) 11.997 11.973 ( 7.318 4.665 1.155) 8.755 12.146 ( 6.629 -2.809 0.904) 7.256 12.350 ( -5.268 1.954 2.051) 5.981 12.489 ( 4.545 0.352 1.137) 4.698 12.528 ( -1.942 -1.266 -0.086) 2.320 12.613 ( -0.912 -1.020 -1.080) 1.743 12.751 ( -0.672 -0.090 -3.458) 3.524 13.003 ( -8.458 0.941 -0.272) 8.515 13.134 ( -6.951 6.580 -1.989) 9.776 13.160 ( 0.621 5.645 -1.930) 5.998 13.479 ( 2.967 -2.550 -2.173) 4.475 13.517 ( -5.364 4.267 2.269) 7.220 13.619 ( -2.913 3.452 5.406) 7.045 13.729 ( -3.122 -3.195 -2.183) 4.972 13.795 ( -7.462 6.035 -8.419) 12.767 14.002 ( 1.193 2.105 -2.456) 3.447 14.300 ( 2.796 3.550 3.317) 5.606 14.501 ( -5.037 3.722 1.293) 6.395 14.614 ( -6.064 6.733 -1.320) 9.157 14.680 ( -11.975 10.062 0.949) 15.670 15.011 ( -0.430 2.614 -1.434) 3.013 15.080 ( -10.755 1.018 -2.113) 11.008 15.180 ( -2.018 5.665 1.695) 6.248 15.469 ( -9.106 3.566 13.919) 17.011 15.492 ( -5.848 11.704 1.037) 13.125 15.796 ( -6.940 8.054 -0.077) 10.632 15.911 ( -10.622 2.451 -0.829) 10.933 16.250 ( -17.269 13.078 -2.293) 21.783 16.982 ( -2.766 -1.958 -0.469) 3.421 17.214 ( -6.532 -5.857 0.361) 8.781 17.619 ( 9.710 -1.084 0.914) 9.813 17.989 ( 5.426 -6.108 -1.589) 8.323 18.739 ( 0.341 6.520 0.854) 6.584 18.942 ( 1.797 1.096 -0.889) 2.285 21.491 ( 15.013 -1.486 4.761) 15.820 22.231 ( -2.997 -0.208 -27.586) 27.749 23.297 ( -5.262 6.347 14.977) 17.096 23.916 ( -10.067 0.454 -0.391) 10.085 ======================= Grid point 15 (10/141) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.431 ( 26.988 -8.489 3.920) 28.562 2.738 ( 21.384 -18.120 10.049) 29.776 3.134 ( 19.588 2.819 9.918) 22.136 3.580 ( 9.392 -6.765 -3.676) 12.144 3.907 ( -3.538 -0.283 -13.222) 13.690 4.127 ( 8.501 -15.667 -12.617) 21.838 4.292 ( 17.679 -7.435 -1.576) 19.243 4.472 ( 9.501 -12.209 -5.321) 16.359 4.568 ( 11.523 -14.016 9.550) 20.504 4.854 ( 15.471 -0.450 1.520) 15.552 4.972 ( 5.644 -7.950 -0.048) 9.750 5.272 ( 0.118 -6.343 -0.653) 6.377 5.326 ( 1.153 -0.723 13.063) 13.134 5.428 ( -4.292 -2.236 0.173) 4.842 5.820 ( -0.838 -3.578 0.342) 3.691 6.169 ( 2.350 0.302 -4.159) 4.786 6.287 ( 2.738 -13.686 0.334) 13.961 6.563 ( -3.376 -0.492 -1.238) 3.630 6.722 ( 4.744 -0.505 -9.203) 10.366 6.749 ( -0.448 -2.599 -1.136) 2.872 7.048 ( 1.407 -1.713 1.109) 2.479 7.115 ( 3.567 -2.449 8.326) 9.384 7.270 ( 0.591 -8.543 -1.872) 8.766 7.359 ( 3.067 -0.214 7.165) 7.797 7.633 ( 1.053 0.949 2.722) 3.068 7.855 ( 11.290 1.101 -5.303) 12.522 8.007 ( -0.939 0.004 2.182) 2.375 8.188 ( 10.589 -18.073 3.235) 21.195 8.298 ( -10.059 -1.628 2.495) 10.491 8.408 ( 1.503 6.399 -5.058) 8.294 8.684 ( 1.160 -2.489 -5.443) 6.097 8.926 ( -7.101 -13.472 0.006) 15.229 9.213 ( -2.311 -1.326 3.989) 4.797 9.495 ( -0.746 6.261 -0.073) 6.306 9.574 ( -0.725 -2.386 -3.886) 4.618 9.621 ( 3.785 -1.049 -1.048) 4.065 9.858 ( 0.554 -3.829 0.677) 3.927 10.023 ( -4.461 -0.817 -1.590) 4.805 10.163 ( 0.588 -3.662 1.191) 3.895 10.366 ( 4.027 0.716 0.642) 4.140 10.622 ( 0.768 -4.139 -0.501) 4.239 10.654 ( -3.139 -0.731 -2.930) 4.356 10.661 ( 14.192 5.450 1.066) 15.239 10.894 ( 5.946 -5.284 -5.736) 9.807 10.993 ( 4.444 0.738 5.416) 7.045 11.047 ( 15.095 -12.588 2.576) 19.823 11.329 ( 2.695 -9.307 -0.393) 9.698 11.409 ( 2.799 0.427 6.265) 6.875 11.520 ( -3.143 -0.061 -4.178) 5.229 11.549 ( -1.794 3.115 5.745) 6.777 11.752 ( -0.718 -0.809 0.397) 1.152 11.985 ( 8.315 2.727 1.482) 8.876 12.032 ( 10.036 -7.426 1.225) 12.545 12.198 ( -8.272 4.737 0.676) 9.557 12.301 ( 5.552 -4.283 1.467) 7.164 12.457 ( -2.633 1.820 -1.085) 3.379 12.509 ( -1.728 1.328 -1.784) 2.817 12.641 ( -1.793 -1.572 0.129) 2.388 12.776 ( -5.646 3.708 1.346) 6.888 12.794 ( -1.961 0.006 3.127) 3.691 13.035 ( -3.953 0.495 -3.691) 5.431 13.133 ( -2.386 1.582 -5.672) 6.354 13.413 ( -1.065 3.619 1.830) 4.192 13.532 ( 7.760 1.862 -0.296) 7.986 13.597 ( -6.254 -0.819 -1.153) 6.412 13.697 ( 6.266 -0.622 1.205) 6.411 13.803 ( -0.095 -6.451 -4.951) 8.133 13.949 ( -0.530 1.565 2.334) 2.859 14.249 ( -2.648 4.731 -0.645) 5.460 14.352 ( -10.211 8.099 1.213) 13.089 14.453 ( -7.192 2.758 -1.571) 7.861 14.476 ( -1.892 3.480 -3.515) 5.296 14.881 ( -5.048 6.484 -0.480) 8.232 14.978 ( -7.923 3.867 -0.032) 8.816 15.073 ( -2.853 2.923 4.226) 5.878 15.256 ( -2.119 9.167 -0.930) 9.454 15.349 ( -8.835 2.366 7.938) 12.110 15.556 ( -2.686 13.902 -1.038) 14.197 15.755 ( -10.435 3.698 -1.038) 11.119 15.879 ( -10.995 13.328 -1.190) 17.319 17.018 ( -4.819 -6.169 2.440) 8.200 17.256 ( -4.902 -5.851 -1.518) 7.782 17.775 ( 10.048 -5.302 1.351) 11.441 18.115 ( 5.514 -3.010 -2.153) 6.641 18.607 ( -0.320 9.334 0.688) 9.365 18.924 ( 0.068 1.971 -0.105) 1.975 21.686 ( 13.349 -4.137 6.637) 15.472 22.118 ( -4.057 4.624 -17.877) 18.906 23.183 ( -4.739 3.671 6.823) 9.083 23.819 ( -8.854 -0.099 0.291) 8.859 ======================= Grid point 16 (11/141) ======================= q-point: ( 0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.688 ( 23.105 6.050 -0.068) 23.884 3.142 ( 13.357 -0.046 2.437) 13.578 3.338 ( 15.239 -10.744 11.596) 21.957 3.606 ( -4.562 6.690 -7.582) 11.093 3.890 ( 7.622 0.460 -0.461) 7.650 4.307 ( 9.853 0.780 -8.233) 12.864 4.450 ( -2.960 -6.590 -0.465) 7.239 4.647 ( -0.390 1.219 0.856) 1.539 4.799 ( 2.516 -1.047 -1.122) 2.947 4.967 ( -5.446 1.066 -2.942) 6.281 5.047 ( 10.013 0.720 0.693) 10.062 5.292 ( 2.925 -11.335 0.569) 11.720 5.419 ( -3.712 -3.443 1.189) 5.200 5.554 ( 5.505 -1.734 12.133) 13.436 5.862 ( -3.549 0.603 -3.579) 5.076 6.125 ( 1.849 -1.493 -1.083) 2.611 6.431 ( -0.147 -1.252 3.498) 3.718 6.667 ( 1.867 -9.118 -2.114) 9.544 6.740 ( 2.656 -0.038 -6.498) 7.020 6.822 ( 0.609 -4.852 -1.462) 5.104 7.057 ( 0.642 3.053 2.020) 3.717 7.157 ( -0.452 -0.370 0.800) 0.990 7.343 ( 6.276 5.732 -0.176) 8.501 7.398 ( 2.073 -3.787 -0.669) 4.369 7.713 ( 0.206 -6.312 6.072) 8.761 7.821 ( 1.897 7.364 -1.965) 7.855 8.089 ( 1.112 -7.560 -0.399) 7.652 8.193 ( -1.947 6.093 -0.656) 6.430 8.291 ( -7.273 -1.787 -2.473) 7.887 8.602 ( 2.225 -8.779 0.299) 9.061 8.776 ( 8.794 -7.655 -0.806) 11.686 9.064 ( -7.423 -5.324 1.370) 9.237 9.196 ( 3.596 0.553 2.757) 4.564 9.359 ( -2.347 5.037 0.170) 5.560 9.597 ( -0.250 -0.415 0.647) 0.808 9.630 ( 3.818 1.204 -1.960) 4.457 9.873 ( -2.201 0.739 0.415) 2.358 10.105 ( -2.916 -11.310 -4.017) 12.351 10.239 ( -0.008 -2.868 -0.250) 2.878 10.375 ( 1.174 1.256 -0.308) 1.746 10.572 ( -1.407 2.170 -0.784) 2.703 10.636 ( -2.575 4.267 3.891) 6.323 10.698 ( 8.522 3.185 -1.533) 9.226 11.016 ( -2.102 -2.179 1.424) 3.345 11.107 ( 17.997 -2.029 -4.765) 18.727 11.194 ( -2.349 4.333 1.181) 5.068 11.292 ( -4.548 6.003 1.960) 7.782 11.482 ( -1.185 -2.483 -4.340) 5.139 11.563 ( 11.166 -8.107 3.899) 14.339 11.602 ( 5.031 -3.250 4.158) 7.291 11.787 ( -1.929 -4.059 -2.116) 4.968 11.922 ( -1.969 6.732 -0.814) 7.062 12.110 ( 2.262 0.342 4.849) 5.361 12.218 ( -2.045 -4.975 3.113) 6.215 12.332 ( -4.187 3.428 0.922) 5.489 12.451 ( 1.850 -1.267 0.936) 2.430 12.473 ( 3.798 0.363 -5.133) 6.396 12.583 ( 1.298 10.484 1.443) 10.662 12.646 ( -6.433 -4.149 -0.570) 7.676 12.821 ( -2.056 2.253 0.761) 3.143 13.047 ( -2.322 -1.465 -0.129) 2.748 13.093 ( -0.727 -5.292 -1.655) 5.593 13.388 ( 1.217 0.061 -0.857) 1.490 13.529 ( -2.150 2.439 -2.062) 3.851 13.603 ( 10.077 0.796 -1.215) 10.182 13.770 ( -7.540 2.547 -0.117) 7.960 13.782 ( -0.825 -0.661 0.358) 1.116 14.056 ( 3.533 -6.174 -0.163) 7.115 14.153 ( -2.954 1.691 -4.950) 6.007 14.239 ( -2.529 -2.497 3.091) 4.710 14.325 ( -0.800 -0.350 0.969) 1.305 14.390 ( -8.830 4.050 -2.794) 10.108 14.788 ( -1.927 0.892 0.751) 2.252 14.806 ( -0.276 5.719 2.188) 6.129 15.069 ( -7.215 -1.744 0.964) 7.485 15.153 ( 1.529 1.148 1.611) 2.500 15.276 ( -4.426 -0.684 0.407) 4.497 15.304 ( -0.132 12.347 -0.833) 12.376 15.562 ( -11.039 5.130 -0.870) 12.203 15.681 ( 1.708 3.840 1.353) 4.415 17.086 ( -5.767 -6.786 3.632) 9.618 17.310 ( -3.137 -5.500 -2.549) 6.825 17.945 ( 7.041 -2.106 1.735) 7.551 18.205 ( 6.799 -2.583 -2.982) 7.861 18.433 ( -0.594 10.281 0.889) 10.336 18.881 ( -2.526 1.584 0.114) 2.984 21.905 ( 10.973 -3.887 5.236) 12.765 21.949 ( -2.456 5.930 -7.990) 10.249 23.113 ( -3.031 0.746 0.305) 3.136 23.760 ( -7.506 -2.302 0.913) 7.904 ======================= Grid point 17 (12/141) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.699 ( 18.479 15.596 -3.325) 24.408 3.104 ( 5.154 16.097 -9.534) 19.405 3.248 ( -3.536 15.313 -1.213) 15.762 3.790 ( 5.093 -13.101 18.349) 23.114 3.888 ( 9.067 10.383 4.085) 14.377 4.324 ( 7.651 6.517 -1.695) 10.192 4.383 ( -13.788 10.160 -1.161) 17.166 4.530 ( -15.576 1.715 -0.959) 15.699 4.611 ( -5.121 2.650 -2.846) 6.430 4.910 ( -3.186 9.648 0.574) 10.176 5.145 ( 4.444 -2.082 -8.687) 9.977 5.370 ( -4.946 5.362 -3.877) 8.261 5.446 ( 1.323 0.129 3.944) 4.162 5.547 ( 2.490 2.485 3.433) 4.915 5.906 ( 1.628 -9.179 3.803) 10.068 6.173 ( 2.582 4.510 -0.029) 5.197 6.426 ( -0.121 -0.675 3.104) 3.179 6.693 ( -3.320 4.586 -3.122) 6.465 6.735 ( -0.632 0.791 0.942) 1.383 6.940 ( 6.449 2.920 -2.686) 7.571 7.000 ( 0.105 -0.445 0.731) 0.862 7.183 ( 1.579 -3.599 -0.129) 3.932 7.304 ( 4.938 4.728 -1.832) 7.078 7.389 ( -2.524 4.561 -1.565) 5.443 7.714 ( -0.772 4.502 0.367) 4.582 7.803 ( -4.755 -3.271 1.886) 6.072 8.026 ( -2.122 6.316 -6.143) 9.063 8.182 ( -1.511 0.789 2.345) 2.899 8.272 ( -3.733 -2.570 -6.457) 7.889 8.658 ( -1.266 -1.608 2.943) 3.585 8.887 ( 0.062 14.225 3.206) 14.582 8.981 ( -3.880 -8.259 3.219) 9.676 9.256 ( 1.548 -3.488 -2.306) 4.459 9.396 ( 6.041 -2.089 3.208) 7.152 9.574 ( 0.489 1.536 -0.904) 1.848 9.716 ( 5.803 -3.328 1.390) 6.833 9.827 ( -3.835 -0.104 -0.006) 3.836 10.179 ( -7.935 4.170 -1.422) 9.076 10.245 ( -0.559 -6.491 -2.691) 7.049 10.344 ( -1.075 3.330 -1.185) 3.694 10.540 ( -0.484 0.150 3.636) 3.671 10.602 ( 2.502 0.141 2.491) 3.533 10.730 ( 7.644 1.294 -2.453) 8.132 10.939 ( -3.766 7.711 1.447) 8.703 11.040 ( -5.891 4.453 5.752) 9.360 11.195 ( 6.309 5.637 -7.004) 10.984 11.352 ( 2.128 -3.334 -4.529) 6.013 11.424 ( 6.357 -1.512 -0.733) 6.575 11.604 ( -3.064 6.883 -0.068) 7.534 11.736 ( 0.371 5.895 2.938) 6.597 11.796 ( -3.338 1.975 0.194) 3.883 11.897 ( 8.046 -6.599 2.262) 10.649 12.077 ( -2.893 7.937 2.475) 8.803 12.252 ( 0.449 -1.190 0.210) 1.289 12.282 ( -3.035 -5.590 -3.462) 7.241 12.400 ( 0.454 3.575 0.291) 3.616 12.471 ( 0.459 2.720 -4.360) 5.159 12.533 ( -1.608 -2.814 0.619) 3.300 12.694 ( -0.885 -4.150 -3.104) 5.257 12.812 ( 0.519 -3.650 1.101) 3.848 13.090 ( 0.940 -4.047 7.850) 8.882 13.148 ( -0.092 -0.617 2.946) 3.011 13.391 ( -0.926 0.574 -3.290) 3.466 13.438 ( -1.426 5.716 -2.508) 6.403 13.560 ( -1.421 6.464 -1.293) 6.743 13.724 ( -4.216 1.103 -1.977) 4.785 13.806 ( 0.152 -7.388 0.973) 7.453 14.019 ( -4.241 3.906 -5.860) 8.221 14.126 ( -1.734 2.319 2.467) 3.804 14.250 ( -3.041 -3.250 -2.449) 5.080 14.366 ( 6.278 -7.032 4.608) 10.493 14.531 ( 0.649 -14.040 0.694) 14.073 14.736 ( 2.150 3.099 4.111) 5.579 14.854 ( 5.195 -3.076 -1.101) 6.136 15.030 ( -6.932 0.109 -3.848) 7.929 15.104 ( -0.433 -3.975 -1.575) 4.298 15.213 ( 2.709 1.024 0.876) 3.026 15.352 ( 0.252 -4.467 2.178) 4.976 15.484 ( -2.779 -8.097 -0.894) 8.607 15.757 ( 6.872 -6.653 3.144) 10.068 17.134 ( -5.218 -4.576 2.429) 7.353 17.364 ( -0.911 -3.412 -2.539) 4.350 17.912 ( -0.229 9.479 0.839) 9.518 18.244 ( 3.353 9.100 1.472) 9.809 18.393 ( 5.990 -7.227 -1.898) 9.576 18.836 ( -4.555 -0.748 -0.268) 4.623 21.731 ( -4.532 9.868 -7.469) 13.179 22.162 ( 12.950 -6.610 12.184) 18.969 23.099 ( -1.409 -1.921 -5.589) 6.076 23.760 ( -5.657 -5.047 1.296) 7.691 ======================= Grid point 18 (13/141) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.512 ( 14.648 25.821 -6.239) 30.335 2.641 ( -7.576 28.730 -6.528) 30.421 3.028 ( 5.350 17.157 -3.205) 18.255 3.646 ( -7.475 16.190 6.856) 19.105 3.767 ( -21.394 18.050 2.586) 28.110 4.161 ( -0.210 1.296 14.387) 14.447 4.251 ( 7.861 12.931 -0.314) 15.136 4.398 ( -8.934 1.785 5.097) 10.440 4.518 ( -4.147 1.798 -9.477) 10.500 4.626 ( -6.773 16.500 2.070) 17.956 4.988 ( -12.722 15.609 -9.159) 22.122 5.197 ( 3.434 12.591 -4.704) 13.873 5.425 ( 0.629 -1.901 1.821) 2.707 5.613 ( 3.311 -1.818 3.530) 5.170 6.019 ( 5.701 8.163 -0.153) 9.958 6.063 ( -2.478 -0.592 1.173) 2.805 6.497 ( 1.120 -2.302 4.073) 4.811 6.548 ( -4.900 3.628 -4.870) 7.804 6.614 ( -2.531 12.102 3.946) 12.979 6.872 ( 1.863 6.205 -0.190) 6.481 6.995 ( 1.638 2.692 -3.413) 4.645 7.179 ( -0.670 6.743 -2.262) 7.144 7.245 ( 0.020 0.407 -3.967) 3.988 7.415 ( 3.618 -2.098 4.587) 6.207 7.596 ( -6.006 6.494 2.244) 9.126 7.737 ( -2.072 3.512 0.022) 4.077 7.935 ( -0.981 0.282 -10.989) 11.037 8.098 ( -9.725 7.584 0.796) 12.358 8.255 ( 2.905 -1.776 -1.788) 3.845 8.657 ( 1.771 2.965 0.798) 3.544 8.752 ( 4.230 1.730 1.561) 4.829 9.017 ( -7.523 -1.428 7.018) 10.387 9.369 ( 3.732 -5.348 -1.333) 6.656 9.434 ( 2.093 1.820 1.798) 3.306 9.558 ( 3.508 3.223 -2.045) 5.184 9.747 ( -9.837 -5.337 0.210) 11.193 9.873 ( 8.347 2.042 3.964) 9.463 10.005 ( -7.684 3.847 -1.577) 8.737 10.212 ( -0.928 6.183 -2.733) 6.824 10.354 ( 0.789 -2.410 0.248) 2.547 10.542 ( 4.187 5.149 5.268) 8.473 10.609 ( -2.015 -0.289 -0.396) 2.074 10.763 ( 5.276 3.155 -3.028) 6.853 10.771 ( -1.880 7.676 -0.741) 7.938 10.927 ( -0.320 5.961 5.439) 8.076 11.104 ( -0.572 5.498 1.079) 5.632 11.254 ( -7.701 13.103 -11.185) 18.871 11.417 ( -0.763 9.227 1.849) 9.441 11.560 ( 1.481 -7.215 -1.060) 7.441 11.663 ( -2.557 2.464 -1.368) 3.805 11.739 ( -3.044 0.857 -2.020) 3.752 11.869 ( 1.648 11.949 1.148) 12.116 11.983 ( 7.318 5.992 5.313) 10.848 12.264 ( -6.158 2.293 -0.357) 6.581 12.330 ( -0.444 0.676 -2.686) 2.805 12.349 ( 5.599 -4.475 -2.055) 7.457 12.567 ( -3.731 -3.861 -0.660) 5.410 12.586 ( 1.565 -9.196 0.357) 9.335 12.716 ( -4.121 -4.573 -2.014) 6.477 12.881 ( -0.193 -0.697 1.132) 1.344 13.139 ( -3.657 2.356 -0.177) 4.353 13.172 ( 5.728 -2.125 5.277) 8.073 13.355 ( -1.573 -0.050 -0.298) 1.602 13.385 ( 1.427 -1.384 0.157) 1.994 13.473 ( -3.878 -0.787 -2.832) 4.866 13.697 ( -2.332 -2.048 3.370) 4.581 13.884 ( -0.285 -0.519 3.412) 3.463 13.984 ( 6.079 -1.277 -4.430) 7.630 14.088 ( -1.966 -2.192 -3.475) 4.555 14.344 ( -1.595 -8.273 -0.764) 8.460 14.562 ( 3.557 -7.445 1.065) 8.320 14.647 ( -2.865 -2.887 3.605) 5.435 14.762 ( 3.911 -0.178 -0.371) 3.932 14.969 ( -0.253 -6.377 1.190) 6.492 15.024 ( 1.212 -9.503 -4.056) 10.404 15.268 ( 1.361 -8.479 1.026) 8.648 15.347 ( 6.088 -11.420 -0.204) 12.943 15.415 ( 2.478 -6.139 -3.966) 7.717 15.728 ( 0.280 -17.135 5.458) 17.985 16.008 ( 9.001 -12.990 0.398) 15.809 17.151 ( -3.952 -2.639 0.635) 4.794 17.386 ( 2.472 1.298 -3.256) 4.289 17.697 ( -4.109 12.090 2.749) 13.061 18.122 ( 1.195 7.904 0.692) 8.024 18.572 ( 5.730 -6.022 -1.145) 8.391 18.828 ( -4.176 -3.574 -0.259) 5.503 21.504 ( -4.726 10.505 -4.419) 12.338 22.416 ( 12.786 -5.590 16.544) 21.643 23.117 ( -1.816 -3.377 -11.414) 12.041 23.824 ( -3.210 -7.294 1.242) 8.065 ======================= Grid point 19 (14/141) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( -6.146 35.124 -7.421) 36.421 2.131 ( 8.383 37.396 -0.234) 38.325 2.754 ( 1.643 17.800 -4.714) 18.487 3.110 ( -23.138 24.204 1.607) 33.523 3.333 ( -9.365 19.032 3.059) 21.430 3.854 ( 3.595 39.326 0.822) 39.498 4.067 ( -2.894 11.797 0.687) 12.166 4.245 ( -5.728 14.324 2.256) 15.591 4.317 ( -4.342 13.370 10.683) 17.656 4.458 ( -1.148 4.151 -5.251) 6.791 4.561 ( -10.167 10.032 -4.307) 14.918 5.056 ( 6.554 8.553 0.571) 10.791 5.468 ( -1.722 -2.614 -4.095) 5.154 5.643 ( 1.988 2.205 2.441) 3.844 5.947 ( 3.402 3.085 4.019) 6.103 6.038 ( -2.787 0.952 -3.984) 4.954 6.275 ( 0.719 19.646 1.397) 19.709 6.405 ( -5.306 3.274 -0.999) 6.314 6.677 ( 0.511 -8.753 1.513) 8.898 6.777 ( 0.273 5.229 0.005) 5.237 6.991 ( 3.834 2.677 -4.801) 6.702 7.048 ( -1.434 6.686 0.703) 6.874 7.211 ( -1.117 4.572 -1.373) 4.903 7.282 ( -6.622 10.009 0.413) 12.008 7.446 ( -1.108 8.457 1.450) 8.652 7.795 ( 3.237 0.202 5.820) 6.662 7.850 ( -0.023 3.742 0.219) 3.749 7.966 ( -3.739 -5.974 -10.382) 12.548 8.344 ( 1.182 -5.299 -2.482) 5.970 8.643 ( 2.863 2.125 1.164) 3.750 8.801 ( 5.505 0.418 -1.439) 5.705 8.936 ( -7.698 2.297 7.619) 11.072 9.395 ( 1.328 4.070 -0.553) 4.317 9.439 ( -0.838 0.617 0.357) 1.100 9.525 ( 2.726 3.901 -0.937) 4.850 9.737 ( -2.545 1.057 -0.467) 2.795 9.850 ( 5.054 0.632 2.813) 5.819 9.989 ( -7.020 -1.101 -0.373) 7.116 10.090 ( 1.312 5.214 -0.718) 5.424 10.356 ( -1.587 3.513 0.985) 3.978 10.445 ( 6.049 10.441 2.330) 12.290 10.540 ( -4.008 3.840 -2.063) 5.922 10.676 ( 1.129 2.893 -0.751) 3.195 10.741 ( 0.282 2.748 1.389) 3.092 10.875 ( 0.300 2.454 8.530) 8.881 10.953 ( -3.082 8.579 -14.153) 16.835 11.013 ( -2.335 4.015 0.418) 4.663 11.248 ( -3.642 7.975 0.179) 8.769 11.543 ( 0.516 5.926 -0.608) 5.980 11.585 ( -3.823 4.124 -3.011) 6.378 11.652 ( -3.278 11.879 1.800) 12.454 11.751 ( 0.497 -1.182 -0.221) 1.301 12.018 ( 12.234 2.698 0.303) 12.532 12.105 ( -1.820 8.256 1.793) 8.642 12.364 ( -2.664 -1.805 -1.163) 3.422 12.405 ( -2.757 2.833 -1.792) 4.340 12.570 ( -3.108 1.370 3.330) 4.757 12.582 ( -2.537 -0.647 -2.069) 3.337 12.794 ( -0.918 -0.134 3.057) 3.194 12.986 ( 0.055 -2.939 -1.861) 3.479 13.024 ( -0.381 -8.623 -0.930) 8.681 13.316 ( 6.114 -2.768 3.384) 7.516 13.397 ( -2.209 -6.122 -0.989) 6.583 13.451 ( 1.102 -4.202 0.727) 4.405 13.516 ( -0.289 -8.688 -4.749) 9.905 13.720 ( -2.399 -0.532 2.845) 3.759 13.911 ( 1.550 -3.352 2.620) 4.528 13.989 ( -4.420 2.256 -0.571) 4.995 14.238 ( 11.885 -8.511 -0.186) 14.619 14.475 ( -1.429 -9.333 -1.939) 9.638 14.684 ( -3.631 -7.368 -2.153) 8.491 14.693 ( 2.870 -4.533 -0.816) 5.427 14.799 ( -2.458 -2.734 2.453) 4.420 15.068 ( -0.677 -6.290 0.403) 6.339 15.265 ( 5.080 -11.895 -0.101) 12.934 15.448 ( 0.943 -9.665 6.699) 11.798 15.475 ( 2.162 -5.458 -9.760) 11.390 15.680 ( 3.643 -15.274 -0.085) 15.703 16.002 ( 0.611 -12.625 3.074) 13.008 16.352 ( 7.095 -18.197 -0.490) 19.537 17.160 ( -1.869 -2.171 -0.347) 2.885 17.360 ( 6.554 5.552 -5.968) 10.459 17.483 ( -6.918 7.144 6.572) 11.920 18.003 ( -0.006 7.106 -0.044) 7.106 18.687 ( 1.815 -3.870 -0.618) 4.319 18.869 ( -1.160 -3.695 0.061) 3.873 21.278 ( -3.967 10.606 -1.878) 11.479 22.643 ( 11.162 -3.714 20.102) 23.291 23.123 ( -4.245 -3.302 -16.349) 17.211 23.938 ( -0.956 -8.139 0.698) 8.225 ======================= Grid point 20 (15/141) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( 0.000 38.372 -0.000) 38.372 1.478 ( 0.000 43.269 -0.000) 43.269 2.312 ( 0.000 42.102 -0.000) 42.102 2.614 ( 0.000 19.258 -0.000) 19.258 2.917 ( 0.000 22.463 -0.000) 22.463 3.151 ( 0.000 34.024 -0.000) 34.024 3.881 ( 0.000 7.500 -0.000) 7.500 3.915 ( 0.000 24.696 -0.000) 24.696 4.080 ( 0.000 6.160 -0.000) 6.160 4.322 ( 0.000 12.323 -0.000) 12.323 4.413 ( 0.000 4.338 -0.000) 4.338 4.980 ( 0.000 6.273 -0.000) 6.273 5.517 ( -0.000 -6.494 0.000) 6.494 5.584 ( 0.000 6.184 -0.000) 6.184 5.905 ( 0.000 8.136 -0.000) 8.136 6.034 ( -0.000 -3.206 0.000) 3.206 6.052 ( 0.000 3.950 -0.000) 3.950 6.350 ( 0.000 0.903 -0.000) 0.903 6.713 ( 0.000 2.492 -0.000) 2.492 6.804 ( -0.000 -4.219 0.000) 4.219 6.855 ( 0.000 8.695 -0.000) 8.695 6.977 ( 0.000 7.149 -0.000) 7.149 7.049 ( 0.000 7.454 -0.000) 7.454 7.129 ( 0.000 7.477 -0.000) 7.477 7.329 ( 0.000 4.861 -0.000) 4.861 7.692 ( 0.000 2.305 -0.000) 2.305 7.993 ( -0.000 -2.752 0.000) 2.752 8.035 ( -0.000 -9.187 0.000) 9.187 8.435 ( -0.000 -5.353 0.000) 5.353 8.621 ( 0.000 2.351 -0.000) 2.351 8.791 ( 0.000 2.938 -0.000) 2.938 8.876 ( 0.000 1.634 -0.000) 1.634 9.308 ( 0.000 6.422 -0.000) 6.422 9.401 ( 0.000 4.982 -0.000) 4.982 9.435 ( 0.000 5.883 -0.000) 5.883 9.720 ( 0.000 2.150 -0.000) 2.150 9.816 ( 0.000 8.599 -0.000) 8.599 9.915 ( -0.000 -0.304 0.000) 0.304 10.081 ( -0.000 -1.502 0.000) 1.502 10.205 ( 0.000 9.677 -0.000) 9.677 10.437 ( 0.000 3.556 -0.000) 3.556 10.441 ( -0.000 -4.028 0.000) 4.028 10.650 ( 0.000 1.421 -0.000) 1.421 10.728 ( 0.000 0.464 -0.000) 0.464 10.805 ( 0.000 3.918 -0.000) 3.918 10.891 ( -0.000 -2.713 0.000) 2.713 10.991 ( -0.000 -0.662 0.000) 0.662 11.084 ( 0.000 8.648 -0.000) 8.648 11.428 ( 0.000 10.214 -0.000) 10.214 11.472 ( 0.000 6.260 -0.000) 6.260 11.484 ( 0.000 3.668 -0.000) 3.668 11.716 ( 0.000 5.801 -0.000) 5.801 11.937 ( 0.000 9.017 -0.000) 9.017 12.083 ( 0.000 3.195 -0.000) 3.195 12.251 ( 0.000 2.894 -0.000) 2.894 12.370 ( 0.000 0.074 -0.000) 0.074 12.504 ( 0.000 4.318 -0.000) 4.318 12.611 ( -0.000 -2.948 0.000) 2.948 12.834 ( -0.000 -2.677 0.000) 2.677 12.850 ( 0.000 6.776 -0.000) 6.776 13.309 ( 0.000 2.354 -0.000) 2.354 13.351 ( -0.000 -15.466 0.000) 15.466 13.502 ( -0.000 -4.852 0.000) 4.852 13.585 ( -0.000 -10.693 0.000) 10.693 13.656 ( 0.000 4.214 -0.000) 4.214 13.699 ( -0.000 -10.598 0.000) 10.598 13.884 ( 0.000 3.918 -0.000) 3.918 14.067 ( -0.000 -10.264 0.000) 10.264 14.453 ( -0.000 -7.980 0.000) 7.980 14.599 ( -0.000 -4.873 0.000) 4.873 14.759 ( -0.000 -5.157 0.000) 5.157 14.822 ( -0.000 -1.952 0.000) 1.952 14.824 ( -0.000 -7.573 0.000) 7.573 15.174 ( -0.000 -6.511 0.000) 6.511 15.432 ( -0.000 -4.531 0.000) 4.531 15.572 ( -0.000 -7.417 0.000) 7.417 15.631 ( -0.000 -9.238 0.000) 9.238 15.934 ( -0.000 -12.651 0.000) 12.651 16.136 ( -0.000 -2.051 0.000) 2.051 16.716 ( -0.000 -19.627 0.000) 19.627 17.197 ( -0.000 -2.905 0.000) 2.905 17.318 ( 0.000 3.562 -0.000) 3.562 17.366 ( 0.000 2.008 -0.000) 2.008 17.881 ( 0.000 7.515 -0.000) 7.515 18.753 ( -0.000 -3.375 0.000) 3.375 18.906 ( -0.000 -1.060 0.000) 1.060 21.079 ( 0.000 9.807 -0.000) 9.807 22.795 ( -0.000 -2.871 0.000) 2.871 23.106 ( -0.000 -1.546 0.000) 1.546 24.065 ( -0.000 -6.950 0.000) 6.950 ======================= Grid point 23 (16/141) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 33.242 -0.000 12.342) 35.459 1.620 ( 34.788 -0.000 7.802) 35.652 2.916 ( 63.040 -0.000 8.093) 63.557 3.041 ( 29.390 -0.000 10.017) 31.050 3.261 ( 6.869 -0.000 -3.763) 7.833 3.365 ( 31.836 -0.000 -5.681) 32.339 3.443 ( 24.426 -0.000 -1.672) 24.483 4.002 ( 6.956 -0.000 -14.472) 16.057 4.193 ( 9.320 -0.000 12.756) 15.798 4.562 ( 6.207 -0.000 11.130) 12.744 4.934 ( 7.004 -0.000 -10.575) 12.684 4.953 ( 0.984 -0.000 -0.783) 1.257 5.069 ( 20.685 -0.000 -16.591) 26.517 5.360 ( -2.334 0.000 -8.266) 8.590 5.814 ( -6.142 0.000 -5.533) 8.267 6.004 ( -1.885 0.000 5.281) 5.607 6.126 ( -5.654 0.000 18.228) 19.085 6.396 ( 2.677 -0.000 -9.086) 9.472 6.720 ( -5.221 0.000 0.785) 5.279 6.820 ( 5.910 -0.000 0.283) 5.917 6.865 ( 4.713 -0.000 16.055) 16.732 6.997 ( -2.271 0.000 18.752) 18.889 7.066 ( 5.858 -0.000 -3.025) 6.592 7.120 ( 1.713 -0.000 -1.407) 2.217 7.408 ( 13.421 -0.000 8.922) 16.116 7.649 ( 9.813 -0.000 -9.049) 13.349 7.934 ( -13.114 0.000 -5.422) 14.191 7.973 ( 2.473 -0.000 -1.282) 2.785 8.367 ( 4.270 -0.000 -9.359) 10.287 8.441 ( -13.126 0.000 -17.021) 21.494 8.694 ( 5.022 -0.000 7.504) 9.029 8.842 ( 0.055 -0.000 0.845) 0.847 9.094 ( 6.271 -0.000 3.430) 7.148 9.334 ( -0.344 0.000 7.914) 7.921 9.357 ( 9.089 -0.000 -2.092) 9.326 9.718 ( -1.070 0.000 -3.582) 3.739 9.807 ( 2.249 -0.000 -2.090) 3.071 10.019 ( 11.366 -0.000 1.969) 11.535 10.147 ( -6.512 0.000 -0.753) 6.555 10.331 ( 7.202 -0.000 2.777) 7.719 10.384 ( 9.400 -0.000 -2.075) 9.626 10.387 ( -4.400 0.000 4.228) 6.102 10.547 ( 2.253 -0.000 2.802) 3.595 10.749 ( 5.480 -0.000 5.649) 7.870 10.775 ( -0.695 0.000 2.241) 2.346 10.995 ( -1.736 0.000 -3.807) 4.184 11.017 ( 10.621 -0.000 5.621) 12.017 11.243 ( 7.522 -0.000 0.029) 7.522 11.299 ( 6.066 -0.000 -2.747) 6.659 11.566 ( 6.553 -0.000 5.478) 8.541 11.660 ( 8.773 -0.000 -6.368) 10.841 11.661 ( 3.146 -0.000 1.351) 3.424 11.918 ( 11.578 -0.000 0.801) 11.605 12.221 ( 1.113 -0.000 0.413) 1.187 12.416 ( 2.219 -0.000 6.474) 6.843 12.439 ( 2.257 -0.000 -1.099) 2.511 12.489 ( 6.375 -0.000 0.708) 6.414 12.658 ( 3.988 -0.000 0.854) 4.078 12.779 ( 1.186 -0.000 -7.100) 7.198 12.923 ( -10.895 0.000 -1.642) 11.018 13.291 ( -3.098 0.000 -1.129) 3.297 13.380 ( -11.167 0.000 -3.959) 11.848 13.391 ( -1.067 0.000 0.617) 1.233 13.604 ( -14.489 0.000 2.257) 14.664 13.627 ( -1.872 0.000 -2.296) 2.962 13.722 ( -7.513 0.000 7.373) 10.527 13.905 ( -9.804 0.000 -7.320) 12.236 14.034 ( 9.988 -0.000 -8.705) 13.249 14.373 ( -8.828 0.000 2.887) 9.288 14.617 ( -6.768 0.000 1.296) 6.891 14.756 ( -6.782 0.000 -3.412) 7.592 14.898 ( -7.952 0.000 2.937) 8.477 15.027 ( -0.939 0.000 -1.022) 1.388 15.160 ( -6.419 0.000 3.395) 7.262 15.237 ( -16.072 0.000 -0.907) 16.098 15.473 ( -10.970 0.000 27.111) 29.246 15.665 ( -7.754 0.000 -1.284) 7.860 15.905 ( -12.372 0.000 11.716) 17.040 15.940 ( -1.968 0.000 -9.555) 9.755 16.495 ( -20.963 0.000 -10.589) 23.486 17.018 ( -3.930 0.000 4.389) 5.891 17.086 ( 0.066 -0.000 -0.477) 0.482 17.682 ( 4.767 -0.000 3.276) 5.784 17.778 ( 8.049 -0.000 -4.666) 9.304 18.873 ( 2.756 -0.000 1.708) 3.243 18.950 ( 2.138 -0.000 -2.526) 3.310 21.536 ( 13.200 -0.000 5.472) 14.289 22.169 ( 8.296 -0.000 -40.992) 41.823 23.504 ( -9.216 0.000 24.211) 25.906 23.856 ( -14.110 0.000 -3.606) 14.564 ======================= Grid point 24 (17/141) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( 30.156 -12.564 10.159) 34.211 2.168 ( 30.257 -21.687 7.124) 37.902 3.234 ( 27.726 5.825 11.391) 30.535 3.417 ( 0.407 -16.784 -8.572) 18.850 3.486 ( 37.521 4.953 -1.855) 37.892 3.746 ( 32.061 -15.228 4.568) 35.786 3.871 ( 26.732 -7.527 -6.689) 28.565 4.050 ( 16.885 -3.775 -8.171) 19.134 4.371 ( 7.291 -4.774 3.787) 9.502 4.686 ( 5.714 -6.441 12.732) 15.370 4.953 ( 10.696 0.077 -0.100) 10.697 4.972 ( 9.089 0.876 -6.842) 11.410 5.297 ( 8.983 -3.969 -9.428) 13.614 5.398 ( -2.361 -5.920 -6.570) 9.153 5.759 ( -2.767 -0.366 -1.333) 3.093 5.941 ( 0.051 2.690 7.591) 8.053 6.151 ( 0.588 -3.281 6.249) 7.082 6.426 ( -0.624 -3.483 -4.839) 5.994 6.678 ( -5.569 -1.075 -0.869) 5.738 6.894 ( 4.786 1.607 -3.410) 6.092 6.946 ( 0.471 -3.628 11.573) 12.138 7.031 ( -0.485 -1.403 5.925) 6.108 7.090 ( 4.475 -0.303 4.451) 6.319 7.158 ( -0.994 -5.401 2.061) 5.866 7.625 ( 13.178 -6.165 6.014) 15.743 7.718 ( 3.682 -0.387 -3.663) 5.208 7.878 ( 3.232 -2.619 -11.443) 12.176 7.999 ( 0.091 -2.882 1.854) 3.429 8.321 ( -11.453 -3.830 -12.755) 17.565 8.411 ( 1.652 -1.062 -5.541) 5.879 8.718 ( 4.294 4.678 1.090) 6.443 8.800 ( 3.700 5.300 4.710) 7.998 9.102 ( -0.900 1.191 4.739) 4.969 9.405 ( -0.789 -5.703 4.254) 7.158 9.466 ( 8.923 -2.017 -2.049) 9.374 9.705 ( 1.862 1.944 -4.460) 5.209 9.833 ( 3.484 -0.407 -2.530) 4.325 10.097 ( 4.809 0.695 2.223) 5.344 10.212 ( -5.084 -6.702 1.000) 8.472 10.253 ( -2.949 1.937 6.751) 7.617 10.423 ( 10.748 0.781 -2.222) 11.003 10.551 ( 10.231 -7.371 1.021) 12.651 10.624 ( 3.680 -4.598 -0.560) 5.916 10.764 ( -2.927 0.848 3.167) 4.395 10.900 ( 7.509 -7.883 6.889) 12.884 10.940 ( 3.712 3.738 -3.413) 6.277 11.119 ( 9.706 0.999 2.616) 10.102 11.342 ( 7.752 -2.286 0.552) 8.100 11.420 ( 5.958 -5.582 -1.806) 8.362 11.618 ( 4.866 1.417 5.051) 7.155 11.697 ( 1.624 -2.380 4.559) 5.393 11.760 ( 4.934 -4.839 -7.851) 10.460 12.061 ( 11.475 -2.176 0.213) 11.681 12.215 ( 2.402 1.935 1.144) 3.290 12.370 ( -2.341 4.567 1.779) 5.432 12.491 ( -1.602 -1.495 -0.551) 2.259 12.516 ( 0.294 -1.495 -0.150) 1.531 12.669 ( 4.133 5.924 1.748) 7.431 12.736 ( -2.643 1.414 -4.963) 5.798 12.913 ( -0.663 -4.023 1.409) 4.314 13.148 ( -9.229 5.001 -1.359) 10.584 13.266 ( -6.143 7.129 -1.721) 9.567 13.395 ( -3.441 -3.819 -2.511) 5.721 13.468 ( -10.116 -2.103 -0.885) 10.370 13.620 ( -8.253 1.626 1.469) 8.539 13.646 ( -0.303 -2.338 -2.523) 3.453 13.826 ( -1.217 2.824 -0.055) 3.075 14.069 ( 3.936 3.661 -5.693) 7.830 14.310 ( -5.242 -1.214 0.600) 5.414 14.531 ( -3.533 3.792 -0.136) 5.184 14.631 ( -7.714 3.746 -3.020) 9.091 14.749 ( -11.601 9.524 4.088) 15.557 14.971 ( -12.736 2.041 0.100) 12.899 15.019 ( -2.111 0.016 -0.666) 2.213 15.186 ( -7.953 -1.345 -0.073) 8.066 15.411 ( -12.661 -0.769 17.263) 21.422 15.570 ( -8.239 3.327 4.011) 9.749 15.787 ( -8.350 3.759 1.898) 9.351 15.851 ( -9.137 3.136 -2.194) 9.907 16.223 ( -19.359 5.265 -8.018) 21.605 16.985 ( -1.825 1.027 1.636) 2.657 17.094 ( -1.285 -0.921 0.309) 1.611 17.711 ( 7.060 1.212 2.123) 7.471 17.919 ( 5.314 -7.112 -1.983) 9.097 18.857 ( 2.891 5.061 0.833) 5.888 18.970 ( 1.900 0.112 -1.697) 2.550 21.652 ( 13.785 1.484 5.536) 14.929 22.184 ( 4.157 -0.218 -28.224) 28.529 23.375 ( -7.840 7.065 14.344) 17.808 23.761 ( -14.210 -3.945 -0.901) 14.775 ======================= Grid point 25 (18/141) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.459 ( 26.246 -17.893 9.649) 33.198 2.807 ( 29.948 -14.947 4.274) 33.743 3.424 ( 21.736 2.107 14.175) 26.035 3.620 ( 14.961 0.277 -6.301) 16.236 3.795 ( 6.256 -16.971 -10.158) 20.745 3.918 ( 3.081 1.751 -13.124) 13.593 4.288 ( 17.348 -14.724 2.231) 22.863 4.467 ( 15.385 -1.051 -4.114) 15.960 4.531 ( 22.877 -11.529 3.799) 25.898 4.906 ( 7.246 -8.181 4.892) 11.974 5.035 ( 12.732 2.781 3.342) 13.454 5.170 ( 4.267 -11.233 3.312) 12.465 5.293 ( -6.767 6.220 -5.836) 10.887 5.409 ( 1.336 -3.523 1.902) 4.221 5.776 ( 0.957 -1.510 1.787) 2.528 6.065 ( 8.183 -9.706 -0.806) 12.721 6.243 ( 4.424 -2.328 1.211) 5.144 6.466 ( -6.169 -4.567 -1.723) 7.866 6.655 ( -3.008 -2.971 -3.762) 5.659 6.802 ( 0.169 5.227 -8.059) 9.607 7.025 ( -1.086 0.315 -3.464) 3.644 7.068 ( -1.881 -7.502 12.014) 14.288 7.205 ( 6.386 -4.270 4.264) 8.786 7.300 ( 0.494 -9.144 9.574) 13.249 7.696 ( 3.212 0.766 0.468) 3.335 7.876 ( -0.275 -7.616 -8.184) 11.183 8.011 ( 12.901 -6.429 -2.501) 14.629 8.042 ( -0.972 0.868 -1.444) 1.945 8.283 ( 0.754 1.385 -0.154) 1.585 8.462 ( 2.193 -7.251 -6.603) 10.049 8.611 ( 0.261 6.877 -0.531) 6.902 8.809 ( 2.944 -0.286 5.617) 6.348 9.117 ( -3.283 -4.293 3.472) 6.423 9.455 ( -6.043 -2.599 0.365) 6.589 9.571 ( 6.635 -1.634 -2.347) 7.225 9.694 ( 5.572 2.407 -3.176) 6.850 9.862 ( 4.193 0.836 -2.356) 4.882 10.076 ( -2.817 6.855 3.013) 8.000 10.124 ( 1.412 -0.660 2.454) 2.907 10.409 ( 0.599 -8.045 2.922) 8.580 10.507 ( 5.391 -1.070 -3.462) 6.495 10.640 ( -2.987 1.220 -0.664) 3.294 10.774 ( 1.714 -6.633 -0.391) 6.862 10.827 ( 5.458 -3.887 0.841) 6.753 10.994 ( 13.497 -6.626 1.844) 15.148 11.127 ( 14.410 -2.651 6.322) 15.958 11.220 ( 6.181 -5.383 -1.025) 8.260 11.435 ( 2.561 -1.327 2.401) 3.753 11.504 ( 1.048 -0.399 -3.555) 3.728 11.612 ( -0.481 3.105 6.795) 7.486 11.747 ( 0.367 0.135 2.556) 2.586 11.920 ( 4.225 -8.784 -4.856) 10.890 12.145 ( 3.252 4.293 -0.403) 5.400 12.208 ( -1.782 2.160 0.452) 2.836 12.303 ( 5.868 -2.574 1.861) 6.672 12.431 ( -5.348 1.398 -3.123) 6.349 12.549 ( -1.122 1.098 1.456) 2.141 12.604 ( -2.764 0.539 -0.098) 2.818 12.689 ( -2.432 -0.071 1.763) 3.004 12.900 ( 0.731 6.632 0.737) 6.713 13.001 ( -5.544 1.750 -2.772) 6.441 13.135 ( -3.265 2.717 -4.365) 6.091 13.410 ( -5.614 -1.741 -0.018) 5.877 13.467 ( -4.274 -6.692 -0.018) 7.940 13.589 ( 1.650 -1.201 0.116) 2.044 13.700 ( 2.674 -3.769 -3.600) 5.858 13.785 ( 4.376 2.628 0.983) 5.198 13.995 ( -1.387 4.746 -0.218) 4.950 14.249 ( -7.472 2.181 -4.210) 8.850 14.407 ( -9.159 8.461 1.747) 12.591 14.475 ( -4.858 7.393 -1.474) 8.968 14.518 ( -1.633 2.960 -1.935) 3.895 14.878 ( -8.069 -1.403 0.466) 8.204 14.935 ( -8.407 4.076 -0.355) 9.350 15.094 ( -7.702 2.890 3.177) 8.819 15.313 ( -9.911 2.200 7.755) 12.776 15.393 ( -5.648 9.237 3.215) 11.294 15.639 ( -9.580 3.014 1.761) 10.196 15.694 ( -10.102 3.825 -0.223) 10.804 15.948 ( -11.892 7.841 -4.570) 14.960 16.957 ( -0.473 0.899 -0.498) 1.131 17.106 ( -4.361 -4.120 0.727) 6.043 17.806 ( 8.768 -2.896 2.624) 9.599 18.079 ( 4.113 -6.499 -1.823) 7.904 18.772 ( 2.726 8.314 0.053) 8.749 18.961 ( 0.343 2.183 -0.688) 2.315 21.787 ( 13.148 -1.063 5.960) 14.475 22.142 ( 1.373 3.460 -18.442) 18.814 23.216 ( -6.101 5.444 6.587) 10.500 23.685 ( -13.313 -2.806 0.935) 13.638 ======================= Grid point 26 (19/141) ======================= q-point: ( 0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.997 ( 25.310 -12.076 8.693) 29.359 3.184 ( 24.048 0.162 0.286) 24.051 3.583 ( 21.927 7.678 8.369) 24.693 3.696 ( 1.859 6.445 -11.281) 13.125 3.878 ( 5.502 -8.109 0.692) 9.823 4.156 ( -0.970 -16.873 -5.541) 17.786 4.476 ( 6.758 -0.505 -0.613) 6.804 4.661 ( 6.486 0.208 -3.945) 7.594 4.846 ( 12.088 -5.158 1.118) 13.190 4.963 ( -8.753 8.888 -4.538) 13.274 5.125 ( 6.923 -0.963 0.016) 6.990 5.159 ( 2.885 -6.033 3.395) 7.500 5.321 ( 0.264 -5.883 6.012) 8.416 5.590 ( 7.259 -5.055 6.495) 10.974 5.816 ( -0.546 -1.756 0.368) 1.875 6.168 ( 0.180 4.531 -3.616) 5.800 6.341 ( 2.338 -9.435 1.071) 9.779 6.523 ( -0.003 -7.517 -0.003) 7.517 6.721 ( -0.539 -5.167 -3.739) 6.401 6.764 ( 2.050 -0.519 -6.108) 6.464 7.023 ( -3.152 -3.685 -4.403) 6.550 7.164 ( -1.721 -2.910 6.908) 7.691 7.342 ( 6.036 -4.118 4.377) 8.518 7.469 ( 6.095 -4.141 4.996) 8.902 7.715 ( 4.160 1.814 1.846) 4.899 7.934 ( -5.251 4.251 -7.801) 10.320 7.981 ( 2.145 -6.273 -8.484) 10.767 8.122 ( -4.906 0.155 6.666) 8.278 8.275 ( -0.031 0.943 -1.917) 2.137 8.519 ( 2.872 -1.076 -0.043) 3.067 8.775 ( 11.203 -9.517 0.412) 14.706 8.874 ( 2.879 -6.838 3.201) 8.080 9.162 ( -4.364 -5.000 1.369) 6.776 9.390 ( -5.561 2.743 2.296) 6.612 9.640 ( 7.235 0.364 -2.062) 7.532 9.691 ( 2.480 2.908 -4.260) 5.723 9.884 ( 1.809 0.234 1.335) 2.261 9.991 ( 1.010 1.021 -2.540) 2.918 10.177 ( 0.928 -3.891 1.016) 4.127 10.448 ( -1.393 4.610 0.139) 4.818 10.549 ( -7.302 -6.329 2.292) 9.931 10.612 ( 3.142 2.118 -1.710) 4.157 10.820 ( 2.902 4.219 -1.280) 5.279 10.931 ( 2.341 -7.186 0.741) 7.594 11.235 ( 0.515 0.845 -1.063) 1.452 11.296 ( 15.281 -0.787 0.759) 15.320 11.343 ( -0.122 3.187 2.783) 4.233 11.441 ( 6.364 -4.146 -1.535) 7.748 11.505 ( 1.025 -5.150 2.055) 5.639 11.644 ( 8.100 -1.352 4.560) 9.393 11.698 ( -2.104 -0.463 -1.059) 2.400 11.984 ( -7.651 5.323 -2.107) 9.555 12.061 ( -3.912 -5.169 3.408) 7.324 12.223 ( 3.566 2.237 4.479) 6.147 12.366 ( -1.220 2.274 -2.101) 3.328 12.452 ( 7.301 -2.443 1.820) 7.911 12.504 ( 0.319 0.665 -2.418) 2.528 12.550 ( -5.986 0.828 -2.218) 6.437 12.724 ( -2.383 -3.980 2.837) 5.438 12.805 ( 3.964 5.778 0.655) 7.038 12.987 ( -0.097 -3.403 -2.374) 4.150 13.044 ( -3.049 1.801 -3.550) 5.015 13.404 ( -0.702 0.603 0.741) 1.186 13.496 ( -3.950 -2.650 -1.832) 5.097 13.605 ( -4.122 -1.610 -2.020) 4.865 13.779 ( -0.732 2.370 -0.763) 2.595 13.844 ( 8.880 1.414 -0.412) 9.002 13.949 ( -0.240 -7.103 2.844) 7.655 14.149 ( -1.792 2.022 -4.486) 5.237 14.197 ( -6.017 4.581 0.571) 7.584 14.339 ( -3.801 3.936 -1.170) 5.595 14.427 ( -3.395 6.537 -2.964) 7.940 14.784 ( -4.926 2.281 1.187) 5.556 14.848 ( -6.082 -0.003 1.151) 6.190 14.973 ( -7.746 1.316 4.952) 9.287 15.194 ( -5.312 2.475 0.192) 5.863 15.238 ( -3.076 3.738 1.166) 4.979 15.486 ( -4.925 7.535 0.923) 9.049 15.530 ( -9.958 4.678 1.826) 11.152 15.748 ( -3.632 5.044 -1.487) 6.391 16.955 ( -2.406 -2.551 0.646) 3.566 17.157 ( -4.346 -6.898 -0.446) 8.165 17.967 ( 8.508 -4.612 3.118) 10.167 18.203 ( 4.072 -4.317 -2.783) 6.555 18.634 ( 2.855 11.146 0.062) 11.506 18.898 ( -2.743 3.788 -0.198) 4.681 21.964 ( 12.266 -4.114 6.567) 14.509 22.033 ( 0.012 7.128 -11.261) 13.328 23.107 ( -3.602 2.701 0.591) 4.541 23.614 ( -12.109 -3.520 1.784) 12.736 ======================= Grid point 27 (20/141) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.205 ( 28.254 16.408 -3.827) 32.896 3.399 ( 12.172 -0.045 1.233) 12.235 3.448 ( -2.952 16.103 -6.120) 17.478 3.743 ( 16.186 -3.746 15.181) 22.505 4.076 ( 6.495 -1.230 2.875) 7.209 4.289 ( -9.675 -5.508 -4.064) 11.852 4.487 ( -4.034 10.957 -1.962) 11.839 4.542 ( -5.026 5.306 -0.645) 7.336 4.643 ( -0.327 9.306 -2.317) 9.596 4.976 ( 0.439 1.354 -3.355) 3.645 5.153 ( -0.344 0.696 -2.728) 2.837 5.378 ( -0.016 0.391 2.498) 2.529 5.388 ( 4.573 -8.584 -0.790) 9.758 5.653 ( 1.767 3.261 7.590) 8.448 5.775 ( -4.245 -2.856 -0.448) 5.136 6.218 ( 7.774 -3.762 -0.747) 8.669 6.443 ( -0.023 0.347 6.073) 6.083 6.645 ( -2.894 -6.768 -5.297) 9.068 6.728 ( -1.181 0.586 -2.009) 2.403 6.880 ( 2.569 -8.268 -2.252) 8.946 7.070 ( 2.224 -4.502 0.268) 5.029 7.153 ( -0.021 3.074 0.061) 3.074 7.447 ( 3.088 0.628 2.563) 4.062 7.504 ( 9.196 9.226 -1.737) 13.142 7.701 ( -4.034 0.683 2.002) 4.555 7.807 ( -0.928 4.260 -4.834) 6.510 8.045 ( -7.504 2.678 3.984) 8.908 8.123 ( 0.104 -9.844 -7.804) 12.563 8.217 ( -1.167 2.885 0.869) 3.231 8.609 ( -0.955 -5.235 1.113) 5.436 8.850 ( -0.969 -1.200 4.330) 4.596 9.016 ( -1.602 -1.508 -2.424) 3.274 9.256 ( -0.546 4.468 0.858) 4.582 9.360 ( 6.497 -8.815 5.243) 12.141 9.627 ( 1.802 4.467 -2.019) 5.223 9.716 ( 3.320 -0.936 -3.094) 4.634 9.871 ( 5.781 2.609 3.288) 7.144 10.079 ( 1.538 -7.698 -3.690) 8.674 10.215 ( -2.393 1.768 -0.772) 3.074 10.352 ( -4.147 0.083 -1.343) 4.360 10.487 ( -12.037 -0.640 1.420) 12.138 10.631 ( 5.224 1.511 1.473) 5.634 10.800 ( 2.825 1.110 -0.620) 3.098 11.022 ( 2.076 0.009 0.564) 2.151 11.096 ( -2.708 9.220 1.784) 9.773 11.289 ( 0.317 -2.846 -0.789) 2.970 11.380 ( 2.828 6.539 -3.888) 8.116 11.504 ( 12.188 -2.297 1.957) 12.556 11.645 ( 0.356 0.124 1.472) 1.520 11.767 ( 4.198 -1.963 -3.814) 6.002 11.787 ( -7.576 1.779 -1.137) 7.865 11.887 ( 9.165 -6.761 2.953) 11.766 12.098 ( -5.383 -4.609 3.747) 8.016 12.158 ( -2.173 4.111 5.207) 6.981 12.281 ( -3.157 3.134 -0.844) 4.528 12.474 ( -0.314 2.006 0.955) 2.244 12.483 ( -2.021 1.689 -2.498) 3.630 12.579 ( -0.077 -1.460 -3.652) 3.934 12.644 ( 4.865 8.134 -4.062) 10.312 12.815 ( 2.319 -0.282 3.023) 3.820 13.042 ( 0.046 -3.052 5.291) 6.108 13.107 ( 3.861 -6.368 0.909) 7.502 13.350 ( -4.745 1.688 -2.661) 5.696 13.513 ( 0.590 -0.037 -3.942) 3.986 13.569 ( -10.625 -2.686 -1.203) 11.025 13.678 ( -3.786 2.347 0.172) 4.458 13.820 ( 7.566 6.608 -3.580) 10.664 14.037 ( -2.112 3.399 -4.034) 5.683 14.130 ( -2.020 -2.204 1.377) 3.291 14.171 ( -4.474 -1.159 2.371) 5.195 14.294 ( 0.388 -4.592 0.660) 4.656 14.379 ( 4.405 -5.314 1.264) 7.017 14.721 ( -8.500 -0.757 3.345) 9.166 14.846 ( 4.642 -4.114 -3.931) 7.344 14.933 ( -3.593 -2.085 2.112) 4.660 15.152 ( -1.383 4.529 -0.462) 4.758 15.207 ( -4.087 -6.253 1.427) 7.606 15.308 ( 0.516 7.592 0.241) 7.614 15.403 ( -4.888 1.032 -0.105) 4.997 15.720 ( 1.287 -2.997 1.612) 3.638 16.994 ( -4.273 -5.229 1.797) 6.987 17.245 ( -2.324 -7.393 -1.356) 7.867 18.055 ( 3.423 3.944 1.958) 5.577 18.332 ( 5.638 -6.697 -2.643) 9.145 18.470 ( 4.812 11.808 0.860) 12.779 18.793 ( -6.320 2.774 -0.220) 6.905 21.866 ( -0.849 10.243 -6.381) 12.098 22.184 ( 11.005 -6.971 7.730) 15.148 23.057 ( -1.574 0.213 -3.968) 4.274 23.591 ( -9.321 -6.082 1.955) 11.301 ======================= Grid point 28 (21/141) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.021 ( 0.443 25.934 -8.889) 27.419 3.140 ( 20.660 21.679 0.088) 29.947 3.379 ( 4.696 15.621 2.508) 16.504 3.816 ( -6.122 13.064 8.385) 16.687 3.951 ( -8.556 16.898 -1.403) 18.992 4.196 ( 0.035 0.231 8.508) 8.512 4.281 ( -5.710 -5.152 -2.437) 8.067 4.505 ( 7.048 4.792 -4.267) 9.532 4.544 ( 1.331 8.024 -1.907) 8.355 4.816 ( -6.980 12.453 2.189) 14.442 5.066 ( -4.583 7.077 -6.387) 10.577 5.346 ( 2.561 0.454 -4.041) 4.806 5.452 ( -2.434 4.979 5.546) 7.841 5.612 ( 2.096 0.334 1.188) 2.433 5.925 ( -0.317 -11.539 1.546) 11.647 6.274 ( 6.285 10.091 -0.575) 11.902 6.419 ( -1.757 -3.328 3.115) 4.885 6.608 ( -3.270 5.354 -2.526) 6.763 6.724 ( -0.486 0.781 0.219) 0.946 6.990 ( -0.402 -5.115 -0.911) 5.211 7.031 ( 2.058 9.668 -0.539) 9.899 7.301 ( 8.901 -7.003 3.620) 11.890 7.318 ( -1.233 12.829 -4.075) 13.517 7.410 ( 3.421 4.018 0.791) 5.336 7.612 ( -11.361 1.288 -2.200) 11.644 7.738 ( 2.321 7.124 -0.738) 7.529 7.974 ( -3.886 -2.956 -0.178) 4.886 8.107 ( -2.055 7.893 -1.321) 8.262 8.265 ( 1.669 -3.888 -1.542) 4.504 8.651 ( -0.306 -1.328 1.262) 1.857 8.863 ( -1.012 -0.185 -2.966) 3.139 8.945 ( -2.087 5.209 6.777) 8.799 9.270 ( 0.337 -8.450 -0.712) 8.486 9.486 ( 3.314 1.087 0.532) 3.528 9.573 ( -4.543 0.255 0.538) 4.582 9.672 ( 0.117 3.968 -1.875) 4.391 9.961 ( 7.796 2.164 4.950) 9.485 10.072 ( 0.112 4.952 -2.760) 5.671 10.255 ( -0.093 -3.621 -1.249) 3.831 10.279 ( -5.932 -2.343 -1.742) 6.611 10.511 ( -0.607 -6.081 1.743) 6.355 10.621 ( -0.738 2.513 0.309) 2.637 10.826 ( 3.381 -0.597 -1.162) 3.625 10.950 ( 1.923 7.824 2.226) 8.359 10.989 ( -1.929 3.576 0.495) 4.093 11.255 ( 4.651 10.009 0.770) 11.064 11.389 ( -0.907 1.086 -3.908) 4.156 11.491 ( -2.954 6.784 -1.057) 7.475 11.610 ( 2.053 8.980 0.868) 9.253 11.680 ( 2.104 -0.756 -0.453) 2.281 11.743 ( -0.413 5.075 -0.577) 5.124 12.024 ( 2.098 -0.396 -0.290) 2.154 12.086 ( -1.369 -1.062 6.772) 6.990 12.161 ( -5.279 -3.078 -2.042) 6.443 12.328 ( 4.368 -5.557 -1.622) 7.252 12.407 ( 0.692 4.726 0.166) 4.780 12.474 ( 0.738 -0.906 -4.009) 4.176 12.477 ( 0.296 0.635 2.979) 3.060 12.619 ( -5.856 -0.375 -4.540) 7.419 12.868 ( 4.558 -1.086 2.415) 5.271 13.082 ( -5.957 -1.358 1.496) 6.290 13.224 ( 6.475 -1.604 3.592) 7.576 13.312 ( -2.601 -3.078 3.010) 5.030 13.425 ( -3.105 4.640 -3.738) 6.719 13.517 ( -0.592 6.141 -2.805) 6.778 13.640 ( -1.837 -3.323 -0.168) 3.801 13.849 ( 2.964 -1.955 -1.315) 3.786 14.004 ( 3.839 -1.060 -2.905) 4.929 14.072 ( -2.813 1.829 0.370) 3.375 14.168 ( -6.373 -5.735 1.306) 8.673 14.450 ( -0.495 -4.325 1.387) 4.569 14.522 ( 1.581 -11.651 2.229) 11.967 14.799 ( 1.911 -10.880 -2.177) 11.259 14.909 ( 0.225 -0.107 -1.182) 1.208 14.943 ( -0.496 6.839 1.423) 7.003 15.098 ( 0.283 -8.458 -1.079) 8.531 15.281 ( 3.717 -4.985 -0.237) 6.223 15.333 ( -1.658 -5.112 1.284) 5.525 15.451 ( -1.717 -12.397 0.777) 12.539 15.867 ( 3.216 -10.770 0.938) 11.279 17.044 ( -3.489 -4.808 1.252) 6.071 17.344 ( -0.282 -5.712 -1.254) 5.855 17.914 ( 0.078 13.493 0.433) 13.500 18.296 ( 1.306 9.892 0.681) 10.001 18.543 ( 9.188 -5.731 -0.976) 10.873 18.712 ( -7.992 -2.285 -0.057) 8.312 21.661 ( -1.205 11.788 -2.716) 12.156 22.423 ( 8.008 -8.417 7.510) 13.834 23.043 ( -1.575 -1.118 -5.721) 6.038 23.651 ( -4.385 -8.490 1.187) 9.629 ======================= Grid point 29 (22/141) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( 0.000 32.094 -0.000) 32.094 2.833 ( 0.000 35.461 -0.000) 35.461 3.045 ( 0.000 16.358 -0.000) 16.358 3.433 ( 0.000 27.139 -0.000) 27.139 3.588 ( 0.000 15.729 -0.000) 15.729 4.183 ( 0.000 6.066 -0.000) 6.066 4.376 ( 0.000 11.399 -0.000) 11.399 4.376 ( -0.000 -4.201 0.000) 4.201 4.474 ( 0.000 22.586 -0.000) 22.586 4.493 ( 0.000 1.336 -0.000) 1.336 4.802 ( 0.000 20.191 -0.000) 20.191 5.260 ( 0.000 12.065 -0.000) 12.065 5.408 ( -0.000 -3.350 0.000) 3.350 5.652 ( -0.000 -1.935 0.000) 1.935 6.039 ( -0.000 -1.166 0.000) 1.166 6.093 ( 0.000 10.999 -0.000) 10.999 6.457 ( 0.000 7.263 -0.000) 7.263 6.529 ( -0.000 -8.305 0.000) 8.305 6.599 ( 0.000 15.389 -0.000) 15.389 6.893 ( 0.000 7.367 -0.000) 7.367 7.060 ( -0.000 -1.870 0.000) 1.870 7.091 ( 0.000 7.660 -0.000) 7.660 7.281 ( 0.000 5.816 -0.000) 5.816 7.417 ( 0.000 8.741 -0.000) 8.741 7.610 ( 0.000 8.888 -0.000) 8.888 7.664 ( -0.000 -14.901 0.000) 14.901 7.935 ( 0.000 7.014 -0.000) 7.014 7.972 ( 0.000 5.491 -0.000) 5.491 8.293 ( -0.000 -1.089 0.000) 1.089 8.668 ( -0.000 -0.446 0.000) 0.446 8.870 ( 0.000 0.258 -0.000) 0.258 8.879 ( 0.000 0.510 -0.000) 0.510 9.416 ( -0.000 -3.523 0.000) 3.523 9.466 ( 0.000 1.980 -0.000) 1.980 9.579 ( -0.000 -7.681 0.000) 7.681 9.612 ( 0.000 4.126 -0.000) 4.126 9.940 ( 0.000 1.224 -0.000) 1.224 9.981 ( 0.000 6.557 -0.000) 6.557 10.218 ( 0.000 4.606 -0.000) 4.606 10.339 ( -0.000 -2.084 0.000) 2.084 10.558 ( 0.000 2.160 -0.000) 2.160 10.593 ( -0.000 -1.197 0.000) 1.197 10.825 ( 0.000 7.057 -0.000) 7.057 10.851 ( 0.000 10.591 -0.000) 10.591 10.890 ( 0.000 0.868 -0.000) 0.868 11.092 ( 0.000 13.244 -0.000) 13.244 11.130 ( 0.000 10.415 -0.000) 10.415 11.405 ( 0.000 12.862 -0.000) 12.862 11.576 ( -0.000 -4.343 0.000) 4.343 11.621 ( 0.000 4.712 -0.000) 4.712 11.708 ( -0.000 -0.642 0.000) 0.642 11.894 ( 0.000 15.273 -0.000) 15.273 12.145 ( -0.000 -0.916 0.000) 0.916 12.169 ( 0.000 0.577 -0.000) 0.577 12.318 ( 0.000 0.469 -0.000) 0.469 12.433 ( 0.000 0.273 -0.000) 0.273 12.511 ( -0.000 -2.721 0.000) 2.721 12.568 ( -0.000 -1.484 0.000) 1.484 12.639 ( -0.000 -14.143 0.000) 14.143 12.885 ( 0.000 0.494 -0.000) 0.494 13.071 ( 0.000 0.657 -0.000) 0.657 13.271 ( -0.000 -0.336 0.000) 0.336 13.358 ( -0.000 -3.162 0.000) 3.162 13.380 ( -0.000 -2.033 0.000) 2.033 13.435 ( 0.000 0.319 -0.000) 0.319 13.667 ( -0.000 -1.765 0.000) 1.765 13.889 ( -0.000 -1.651 0.000) 1.651 14.014 ( 0.000 1.698 -0.000) 1.698 14.192 ( -0.000 -5.849 0.000) 5.849 14.236 ( -0.000 -13.279 0.000) 13.279 14.536 ( -0.000 -6.846 0.000) 6.846 14.657 ( -0.000 -2.254 0.000) 2.254 14.817 ( 0.000 4.539 -0.000) 4.539 14.954 ( -0.000 -6.238 0.000) 6.238 15.045 ( -0.000 -15.260 0.000) 15.260 15.278 ( -0.000 -11.045 0.000) 11.045 15.397 ( -0.000 -4.900 0.000) 4.900 15.468 ( -0.000 -11.979 0.000) 11.979 15.725 ( -0.000 -18.776 0.000) 18.776 16.107 ( -0.000 -14.942 0.000) 14.942 17.096 ( -0.000 -3.498 0.000) 3.498 17.410 ( -0.000 -1.884 0.000) 1.884 17.661 ( 0.000 15.194 -0.000) 15.194 18.141 ( 0.000 9.092 -0.000) 9.092 18.650 ( -0.000 -2.100 0.000) 2.100 18.763 ( -0.000 -7.446 0.000) 7.446 21.451 ( 0.000 11.865 -0.000) 11.865 22.615 ( -0.000 -7.831 0.000) 7.831 23.047 ( -0.000 -1.557 0.000) 1.557 23.784 ( -0.000 -9.171 0.000) 9.171 ======================= Grid point 34 (23/141) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.103 ( 28.863 -0.000 7.782) 29.893 2.228 ( 25.238 -0.000 7.058) 26.206 3.245 ( -1.725 0.000 -5.298) 5.572 3.641 ( 27.603 -0.000 9.425) 29.168 3.855 ( 28.440 -0.000 6.303) 29.130 3.902 ( 20.953 -0.000 -10.813) 23.579 4.129 ( 42.284 -0.000 -4.682) 42.542 4.130 ( 14.366 -0.000 -9.160) 17.038 4.407 ( 9.073 -0.000 9.922) 13.445 4.715 ( 6.800 -0.000 12.242) 14.003 4.988 ( 2.542 -0.000 -2.892) 3.851 5.025 ( 5.220 -0.000 -7.992) 9.546 5.332 ( 0.737 -0.000 -2.583) 2.686 5.423 ( 17.003 -0.000 -7.624) 18.634 5.748 ( 2.745 -0.000 -1.793) 3.279 5.986 ( -0.836 0.000 4.000) 4.087 6.114 ( 0.235 -0.000 11.860) 11.863 6.387 ( -1.210 0.000 -5.060) 5.202 6.605 ( -6.848 0.000 -0.297) 6.855 6.913 ( -0.234 0.000 11.472) 11.474 6.965 ( 3.249 -0.000 -1.392) 3.535 7.011 ( -1.896 0.000 13.210) 13.345 7.087 ( -3.266 0.000 -2.812) 4.309 7.129 ( 1.710 -0.000 -5.042) 5.324 7.596 ( -11.481 0.000 -3.234) 11.928 7.802 ( 14.383 -0.000 5.229) 15.304 7.887 ( 9.197 -0.000 -11.492) 14.719 7.981 ( 6.585 -0.000 -2.753) 7.137 8.191 ( -5.354 0.000 -9.976) 11.321 8.441 ( 6.508 -0.000 -4.742) 8.052 8.816 ( 5.116 -0.000 4.748) 6.979 8.883 ( 3.491 -0.000 2.466) 4.274 9.209 ( 4.090 -0.000 2.457) 4.771 9.321 ( -2.897 0.000 4.637) 5.468 9.552 ( 10.916 -0.000 0.086) 10.916 9.746 ( 3.899 -0.000 -3.569) 5.286 9.817 ( -0.878 0.000 -0.013) 0.878 10.029 ( -4.097 0.000 -1.777) 4.466 10.145 ( -1.653 0.000 3.008) 3.432 10.337 ( 3.308 -0.000 5.238) 6.195 10.535 ( 5.080 -0.000 1.648) 5.341 10.598 ( 14.981 -0.000 1.396) 15.046 10.600 ( 2.265 -0.000 -1.149) 2.540 10.747 ( -5.414 0.000 3.742) 6.582 10.900 ( 10.243 -0.000 3.323) 10.769 11.017 ( 7.353 -0.000 -1.213) 7.452 11.250 ( 11.527 -0.000 1.373) 11.608 11.381 ( 4.608 -0.000 -0.845) 4.684 11.445 ( 9.058 -0.000 -1.661) 9.210 11.667 ( -2.213 0.000 5.422) 5.856 11.696 ( 4.204 -0.000 5.200) 6.687 11.733 ( 2.525 -0.000 -8.285) 8.661 12.161 ( 11.412 -0.000 0.644) 11.431 12.246 ( 1.519 -0.000 -0.309) 1.550 12.400 ( -6.827 0.000 -0.268) 6.832 12.425 ( -4.114 0.000 -7.044) 8.158 12.487 ( -1.414 0.000 3.713) 3.974 12.654 ( -7.940 0.000 -1.538) 8.088 12.836 ( 0.855 -0.000 -0.100) 0.861 12.920 ( 12.914 -0.000 6.713) 14.554 13.073 ( -14.218 0.000 -2.590) 14.452 13.290 ( -3.648 0.000 -2.732) 4.558 13.305 ( -8.303 0.000 -0.826) 8.344 13.325 ( -6.435 0.000 -3.363) 7.261 13.546 ( -6.939 0.000 -0.869) 6.993 13.639 ( 3.973 -0.000 -2.161) 4.522 13.855 ( 0.981 -0.000 3.080) 3.232 14.143 ( 2.893 -0.000 -8.669) 9.139 14.217 ( -7.233 0.000 1.179) 7.328 14.541 ( -0.446 0.000 -0.455) 0.637 14.584 ( -7.912 0.000 -3.734) 8.749 14.714 ( -11.951 0.000 4.043) 12.617 14.920 ( -16.563 0.000 3.394) 16.907 14.989 ( -3.690 0.000 0.439) 3.716 15.012 ( -8.995 0.000 -0.034) 8.995 15.300 ( -13.150 0.000 11.471) 17.450 15.532 ( -6.090 0.000 3.505) 7.027 15.707 ( -11.980 0.000 10.159) 15.708 15.868 ( -2.090 0.000 -8.589) 8.840 16.035 ( -20.657 0.000 -9.029) 22.544 16.967 ( -3.067 0.000 4.671) 5.588 17.114 ( 2.115 -0.000 -1.380) 2.525 17.784 ( 4.693 -0.000 2.538) 5.335 17.894 ( 5.052 -0.000 -2.037) 5.447 18.946 ( 3.921 -0.000 1.824) 4.325 18.975 ( 1.312 -0.000 -2.886) 3.170 21.792 ( 10.726 -0.000 6.075) 12.327 22.191 ( 5.687 -0.000 -23.774) 24.444 23.398 ( -8.259 0.000 13.583) 15.897 23.567 ( -13.687 0.000 -3.211) 14.058 ======================= Grid point 35 (24/141) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.472 ( 24.969 -10.875 6.807) 28.072 2.674 ( 19.535 -23.083 5.335) 30.707 3.362 ( -3.548 -16.603 -3.647) 17.365 3.775 ( 22.506 9.466 6.783) 25.340 3.966 ( 8.544 4.917 -13.540) 16.748 4.136 ( 22.903 12.490 -3.439) 26.313 4.237 ( 17.048 -10.971 3.198) 20.524 4.531 ( 10.072 -6.358 4.875) 12.870 4.629 ( 24.504 -5.944 -3.516) 25.458 4.883 ( 13.102 -6.575 9.145) 17.278 5.016 ( -0.578 -5.650 -4.399) 7.184 5.137 ( 7.022 -5.434 0.339) 8.886 5.319 ( -3.280 2.504 -0.015) 4.127 5.445 ( 4.667 7.345 -3.255) 9.291 5.811 ( 7.856 0.012 0.604) 7.879 6.046 ( 7.534 -5.080 2.641) 9.462 6.216 ( 5.433 -6.082 4.524) 9.326 6.354 ( -5.368 -0.071 -2.803) 6.057 6.560 ( -5.705 -2.745 -2.395) 6.769 6.875 ( -4.339 5.999 -6.185) 9.647 6.951 ( -4.739 -1.792 9.529) 10.793 7.032 ( -0.061 -0.623 2.934) 3.000 7.134 ( -1.310 -6.409 2.087) 6.866 7.166 ( 1.498 -7.643 3.725) 8.633 7.582 ( -10.328 -11.715 -4.791) 16.336 7.803 ( 0.498 2.897 -5.686) 6.401 8.005 ( 7.221 -3.138 1.324) 7.984 8.087 ( 1.778 2.604 -10.457) 10.922 8.276 ( 19.658 -9.956 1.036) 22.059 8.472 ( 6.121 4.111 -2.343) 7.736 8.812 ( 3.935 6.930 -0.133) 7.971 8.899 ( 5.218 4.463 3.478) 7.697 9.107 ( -0.910 6.053 5.276) 8.081 9.369 ( -2.037 -3.131 1.429) 3.999 9.621 ( 6.718 0.824 -2.505) 7.217 9.769 ( 4.272 0.873 -2.351) 4.953 9.885 ( 2.738 -2.980 -1.643) 4.367 10.064 ( -4.634 -5.896 1.639) 7.676 10.111 ( -4.918 -0.110 3.258) 5.900 10.346 ( 5.561 1.766 2.640) 6.404 10.571 ( -2.591 2.285 -2.524) 4.278 10.659 ( 2.495 -1.528 3.088) 4.253 10.688 ( -1.106 -4.611 0.707) 4.794 10.753 ( 9.828 -3.834 2.657) 10.878 11.085 ( 12.573 -0.088 0.502) 12.583 11.144 ( 13.854 -7.949 3.459) 16.343 11.301 ( 5.470 2.808 -0.415) 6.162 11.424 ( -0.251 -1.436 -0.572) 1.566 11.524 ( 5.145 0.380 -1.709) 5.435 11.653 ( 0.982 0.893 6.157) 6.299 11.761 ( 2.609 -1.167 3.810) 4.763 11.820 ( 5.543 -7.734 -6.274) 11.397 12.161 ( -10.075 4.636 -4.092) 11.821 12.257 ( 4.449 -0.806 0.772) 4.586 12.346 ( -9.119 -0.472 -6.495) 11.205 12.352 ( 3.635 1.424 2.043) 4.406 12.511 ( -2.097 -2.341 3.680) 4.839 12.578 ( -5.709 1.032 0.202) 5.805 12.767 ( 1.052 6.815 2.309) 7.272 12.950 ( -6.497 0.231 -3.926) 7.594 13.023 ( 2.278 1.041 1.086) 2.729 13.136 ( -6.126 3.237 -2.051) 7.226 13.273 ( -8.200 -5.183 0.935) 9.746 13.368 ( 3.971 -0.150 -1.813) 4.368 13.550 ( 1.443 -4.059 -0.592) 4.348 13.697 ( 4.769 -1.533 -2.246) 5.490 13.853 ( 1.174 1.469 1.892) 2.668 14.076 ( 0.114 5.274 -1.842) 5.588 14.187 ( -5.056 -0.544 -5.179) 7.258 14.450 ( -6.397 5.293 0.205) 8.305 14.530 ( -4.579 4.207 -1.547) 6.408 14.570 ( -2.636 4.897 0.684) 5.604 14.744 ( -12.131 -1.686 2.059) 12.419 14.909 ( -8.927 2.281 0.189) 9.215 15.010 ( -8.695 -3.728 0.005) 9.460 15.215 ( -12.125 -2.327 11.104) 16.605 15.439 ( -6.602 4.795 5.384) 9.776 15.626 ( -9.450 -0.829 5.131) 10.785 15.684 ( -6.389 10.415 -8.113) 14.667 15.893 ( -10.762 0.276 -5.865) 12.259 16.949 ( -2.263 -0.384 3.092) 3.851 17.100 ( 1.016 3.155 -1.199) 3.525 17.842 ( 5.677 -1.670 2.421) 6.394 17.993 ( 2.808 -6.243 -1.397) 6.986 18.919 ( 2.916 5.442 -0.764) 6.221 18.995 ( 1.246 0.832 -0.239) 1.517 21.897 ( 9.303 -0.342 5.426) 10.775 22.188 ( 3.967 2.122 -16.537) 17.138 23.269 ( -6.002 6.106 5.836) 10.361 23.496 ( -12.602 -4.174 0.829) 13.301 ======================= Grid point 36 (25/141) ======================= q-point: ( 0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.933 ( 18.944 -16.091 6.830) 25.777 3.275 ( 15.868 -23.620 2.149) 28.536 3.652 ( -3.708 -20.300 -1.440) 20.686 3.805 ( 7.297 6.706 -3.137) 10.394 3.919 ( 12.157 6.816 -0.837) 13.962 4.133 ( 19.582 10.814 -4.456) 22.809 4.463 ( 3.387 -3.323 1.537) 4.987 4.761 ( 13.131 -4.710 -0.679) 13.966 4.821 ( 3.902 -3.026 -3.033) 5.795 5.068 ( -5.922 7.059 1.417) 9.322 5.101 ( 4.822 -5.477 3.881) 8.265 5.183 ( 0.633 2.618 2.360) 3.581 5.308 ( 11.435 -3.519 5.095) 13.004 5.475 ( 1.613 -10.096 -5.461) 11.591 5.858 ( 5.046 2.978 3.606) 6.880 6.209 ( 0.937 -1.703 -0.872) 2.130 6.261 ( -1.317 -0.578 -2.997) 3.324 6.419 ( 7.150 -7.944 2.058) 10.884 6.606 ( -1.111 -6.870 -2.742) 7.480 6.758 ( -1.718 1.492 -5.042) 5.531 6.901 ( -10.036 -2.133 -0.588) 10.277 7.082 ( -0.532 -4.033 5.092) 6.518 7.315 ( 4.298 -11.110 1.978) 12.075 7.352 ( 1.576 -10.826 8.634) 13.937 7.700 ( -4.701 -9.480 -1.404) 10.674 7.764 ( -5.622 -3.221 -9.691) 11.658 7.992 ( -1.757 3.648 -7.910) 8.886 8.139 ( 7.748 -0.951 4.932) 9.234 8.391 ( 2.141 9.782 0.620) 10.033 8.656 ( 4.294 8.707 -0.848) 9.746 8.707 ( 19.661 -10.861 -2.751) 22.629 8.863 ( 0.870 1.623 5.579) 5.875 9.093 ( -0.457 -0.697 2.056) 2.218 9.373 ( -0.725 -0.131 2.049) 2.177 9.660 ( 0.851 -1.226 -5.562) 5.759 9.782 ( 5.530 2.846 -1.452) 6.387 9.923 ( 2.708 0.395 -0.665) 2.816 10.038 ( -0.248 2.603 1.382) 2.958 10.125 ( -4.436 -4.062 2.799) 6.634 10.397 ( -4.233 -1.206 -1.258) 4.578 10.455 ( -5.464 0.811 1.073) 5.627 10.729 ( 9.633 2.571 0.186) 9.972 10.789 ( 1.746 -7.662 -0.052) 7.859 10.908 ( 2.565 -2.253 2.151) 4.035 11.169 ( -0.918 -1.122 -1.785) 2.299 11.331 ( 3.666 -6.591 3.018) 8.123 11.404 ( 10.074 -3.326 -0.521) 10.622 11.465 ( 5.122 -1.772 1.700) 5.680 11.486 ( -2.085 5.388 0.297) 5.785 11.698 ( 5.894 -0.894 3.430) 6.878 11.765 ( 5.005 3.838 1.715) 6.537 11.950 ( -1.245 -2.486 -0.474) 2.820 11.978 ( -9.575 2.058 -3.196) 10.302 12.271 ( -4.080 1.507 -3.134) 5.361 12.340 ( 2.164 -4.705 1.032) 5.281 12.415 ( 0.480 -9.094 0.420) 9.116 12.492 ( -6.122 3.030 0.302) 6.837 12.526 ( 0.498 -0.050 2.192) 2.249 12.702 ( 4.065 3.832 -0.646) 5.624 12.919 ( -2.865 -1.721 -0.680) 3.411 12.987 ( 4.781 5.518 -2.140) 7.608 13.040 ( -2.794 1.275 -3.606) 4.737 13.342 ( -3.183 -5.774 4.072) 7.749 13.390 ( -2.582 -3.155 -0.561) 4.115 13.592 ( -1.665 3.683 -3.836) 5.572 13.762 ( 3.389 -4.842 0.360) 5.921 13.858 ( -2.355 -0.191 1.880) 3.020 13.984 ( 3.527 5.123 0.616) 6.250 14.159 ( 2.336 0.157 -5.435) 5.918 14.282 ( -2.655 8.690 0.998) 9.141 14.374 ( -3.312 4.875 -3.084) 6.652 14.505 ( -1.273 5.267 -1.386) 5.593 14.693 ( -12.608 -3.013 1.983) 13.114 14.796 ( -3.246 1.168 -0.302) 3.463 14.952 ( -7.606 0.784 3.819) 8.547 15.147 ( -9.535 -0.056 4.244) 10.437 15.291 ( -5.244 5.785 4.107) 8.822 15.479 ( -5.513 5.597 -1.527) 8.003 15.557 ( -4.182 1.978 -0.562) 4.660 15.769 ( -5.635 3.177 -2.294) 6.864 16.946 ( -0.639 0.218 0.334) 0.753 17.053 ( -1.470 0.230 -0.023) 1.488 17.965 ( 6.486 -4.938 2.755) 8.605 18.123 ( 0.935 -6.982 -1.683) 7.243 18.831 ( 3.111 8.243 -0.973) 8.863 18.952 ( -1.004 4.501 0.211) 4.616 22.013 ( 7.759 -2.835 4.657) 9.483 22.134 ( 2.273 5.239 -9.705) 11.260 23.145 ( -1.676 4.686 0.666) 5.021 23.439 ( -12.018 -3.222 2.213) 12.638 ======================= Grid point 37 (26/141) ======================= q-point: ( 0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.345 ( 8.704 -13.757 4.317) 16.842 3.646 ( 18.257 0.048 -0.915) 18.280 3.659 ( -0.615 11.092 -4.758) 12.085 3.930 ( 6.994 -7.112 1.643) 10.109 4.000 ( 5.634 -4.892 4.939) 8.947 4.150 ( 3.965 2.527 -4.087) 6.230 4.470 ( -8.165 -1.271 0.744) 8.297 4.635 ( -5.407 11.900 -0.138) 13.072 4.868 ( 2.158 11.415 -1.659) 11.735 4.993 ( 4.375 -3.682 -2.828) 6.379 5.135 ( -1.310 1.486 1.197) 2.315 5.278 ( 3.591 -8.288 0.056) 9.032 5.425 ( 5.912 0.443 3.308) 6.789 5.621 ( -4.167 -5.040 -1.037) 6.622 5.808 ( -0.066 6.155 2.804) 6.764 6.202 ( 3.059 -5.315 -1.663) 6.354 6.390 ( 2.076 -7.906 0.389) 8.183 6.546 ( 1.398 -0.256 2.301) 2.704 6.692 ( -0.948 -3.397 -1.762) 3.942 6.775 ( -0.240 -4.584 -2.865) 5.411 6.925 ( -3.217 -10.582 -2.933) 11.442 7.144 ( -1.496 -3.307 2.758) 4.559 7.486 ( 6.095 -3.147 8.705) 11.083 7.591 ( 2.517 -7.865 -4.666) 9.485 7.745 ( -1.776 1.486 0.011) 2.316 7.776 ( -0.914 -5.015 -4.551) 6.833 7.946 ( -4.686 -4.125 -3.665) 7.240 8.122 ( 0.433 9.638 3.228) 10.173 8.265 ( 0.517 4.528 -0.487) 4.583 8.549 ( 1.753 2.228 0.615) 2.900 8.854 ( -1.960 -4.309 2.439) 5.326 8.979 ( 0.931 6.082 -3.049) 6.867 9.189 ( 5.842 -13.882 1.984) 15.191 9.410 ( 7.095 2.133 6.001) 9.535 9.642 ( -4.934 -2.292 -6.966) 8.839 9.782 ( 5.223 4.148 -1.901) 6.936 9.971 ( 5.804 -2.636 1.962) 6.669 10.004 ( 2.272 1.229 -0.662) 2.667 10.194 ( -0.538 -6.298 1.672) 6.539 10.283 ( -11.626 0.677 -1.334) 11.722 10.384 ( -6.420 6.434 0.103) 9.090 10.757 ( 6.965 4.304 0.674) 8.215 10.841 ( 0.434 2.438 -0.381) 2.506 11.015 ( 4.931 -7.031 2.626) 8.981 11.132 ( -5.648 -1.547 -2.887) 6.529 11.297 ( -2.707 8.250 -0.619) 8.705 11.441 ( -1.107 -0.762 -0.175) 1.355 11.510 ( -0.968 -1.810 2.088) 2.928 11.634 ( 11.995 -9.573 0.451) 15.353 11.751 ( -1.767 2.273 -0.752) 2.976 11.813 ( 8.787 -0.907 0.147) 8.835 11.879 ( -1.619 2.217 0.574) 2.805 11.987 ( -1.416 -6.631 2.890) 7.371 12.185 ( -4.199 2.892 -0.794) 5.160 12.327 ( -5.975 7.306 0.982) 9.489 12.468 ( 0.923 -4.284 -0.131) 4.384 12.514 ( 0.459 1.783 1.119) 2.154 12.584 ( 2.415 -2.098 -2.418) 4.010 12.716 ( 3.510 -2.234 0.096) 4.162 12.888 ( 2.329 6.619 -2.258) 7.371 12.960 ( -2.864 -7.149 2.348) 8.051 13.090 ( 8.323 -1.358 -1.569) 8.578 13.376 ( -9.003 -4.130 1.244) 9.983 13.397 ( -1.718 5.692 -0.414) 5.960 13.456 ( -3.282 -2.058 -2.244) 4.476 13.748 ( -2.044 5.614 -0.592) 6.004 13.923 ( -1.044 -3.474 -0.761) 3.707 14.018 ( 5.261 -3.265 0.370) 6.203 14.132 ( 0.735 4.236 -0.847) 4.382 14.160 ( 0.277 4.052 -0.081) 4.063 14.314 ( -0.765 5.715 -0.183) 5.769 14.380 ( 2.814 0.550 -0.585) 2.927 14.605 ( -11.563 -0.095 0.596) 11.579 14.815 ( 3.193 -3.147 -2.815) 5.294 14.894 ( -3.769 -0.474 5.575) 6.747 15.089 ( -4.731 -2.042 -0.377) 5.166 15.190 ( -1.751 2.744 0.895) 3.376 15.380 ( -3.307 1.305 1.535) 3.873 15.454 ( -1.079 7.626 -1.088) 7.778 15.698 ( -1.359 0.563 -0.164) 1.479 16.926 ( -0.776 0.100 0.037) 0.783 17.099 ( -1.536 -6.672 -0.023) 6.846 18.100 ( 3.677 -2.769 2.107) 5.063 18.245 ( 1.157 -7.511 -1.694) 7.786 18.705 ( 3.876 10.265 -0.284) 10.976 18.828 ( -3.851 7.180 0.010) 8.148 22.019 ( 0.686 8.627 -4.017) 9.541 22.160 ( 5.175 -6.169 3.322) 8.710 23.077 ( 0.680 3.245 -1.923) 3.833 23.410 ( -7.878 -5.273 1.897) 9.668 ======================= Grid point 38 (27/141) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.396 ( 0.000 19.148 -0.000) 19.148 3.481 ( 0.000 3.732 -0.000) 3.732 3.681 ( 0.000 12.903 -0.000) 12.903 3.948 ( 0.000 7.317 -0.000) 7.317 4.086 ( -0.000 -4.280 0.000) 4.280 4.121 ( -0.000 -1.547 0.000) 1.547 4.307 ( 0.000 13.455 -0.000) 13.455 4.560 ( -0.000 -1.795 0.000) 1.795 4.706 ( 0.000 8.869 -0.000) 8.869 4.949 ( 0.000 7.985 -0.000) 7.985 5.122 ( 0.000 1.652 -0.000) 1.652 5.356 ( 0.000 0.276 -0.000) 0.276 5.467 ( -0.000 -0.919 0.000) 0.919 5.698 ( 0.000 6.669 -0.000) 6.669 5.707 ( -0.000 -11.692 0.000) 11.692 6.325 ( -0.000 -5.001 0.000) 5.001 6.482 ( 0.000 6.813 -0.000) 6.813 6.562 ( -0.000 -8.102 0.000) 8.102 6.712 ( -0.000 -0.801 0.000) 0.801 6.871 ( -0.000 -7.150 0.000) 7.150 7.132 ( -0.000 -13.849 0.000) 13.849 7.153 ( 0.000 2.762 -0.000) 2.762 7.498 ( 0.000 7.439 -0.000) 7.439 7.588 ( 0.000 7.624 -0.000) 7.624 7.638 ( 0.000 7.781 -0.000) 7.781 7.846 ( -0.000 -2.640 0.000) 2.640 7.901 ( 0.000 5.576 -0.000) 5.576 8.134 ( -0.000 -10.081 0.000) 10.081 8.198 ( 0.000 3.514 -0.000) 3.514 8.601 ( -0.000 -5.035 0.000) 5.035 8.853 ( 0.000 4.569 -0.000) 4.569 8.965 ( -0.000 -7.017 0.000) 7.017 9.249 ( 0.000 6.999 -0.000) 6.999 9.471 ( -0.000 -4.344 0.000) 4.344 9.638 ( 0.000 4.421 -0.000) 4.421 9.720 ( 0.000 2.918 -0.000) 2.918 10.103 ( -0.000 -8.168 0.000) 8.168 10.112 ( -0.000 -4.868 0.000) 4.868 10.155 ( 0.000 9.261 -0.000) 9.261 10.170 ( 0.000 1.578 -0.000) 1.578 10.354 ( -0.000 -10.058 0.000) 10.058 10.704 ( 0.000 5.655 -0.000) 5.655 10.823 ( -0.000 -0.227 0.000) 0.227 11.041 ( 0.000 3.464 -0.000) 3.464 11.092 ( 0.000 7.842 -0.000) 7.842 11.286 ( -0.000 -8.433 0.000) 8.433 11.418 ( 0.000 4.251 -0.000) 4.251 11.557 ( -0.000 -3.247 0.000) 3.247 11.672 ( 0.000 3.097 -0.000) 3.097 11.730 ( 0.000 7.441 -0.000) 7.441 11.893 ( 0.000 1.323 -0.000) 1.323 11.913 ( -0.000 -10.268 0.000) 10.268 12.053 ( 0.000 2.797 -0.000) 2.797 12.146 ( 0.000 5.206 -0.000) 5.206 12.200 ( -0.000 -8.748 0.000) 8.748 12.466 ( 0.000 2.047 -0.000) 2.047 12.515 ( 0.000 0.806 -0.000) 0.806 12.524 ( 0.000 5.545 -0.000) 5.545 12.694 ( 0.000 8.596 -0.000) 8.596 12.894 ( -0.000 -2.453 0.000) 2.453 13.052 ( -0.000 -0.250 0.000) 0.250 13.168 ( -0.000 -5.174 0.000) 5.174 13.289 ( -0.000 -0.657 0.000) 0.657 13.403 ( -0.000 -1.582 0.000) 1.582 13.527 ( -0.000 -6.563 0.000) 6.563 13.631 ( 0.000 7.028 -0.000) 7.028 13.890 ( 0.000 3.059 -0.000) 3.059 14.065 ( 0.000 2.629 -0.000) 2.629 14.085 ( 0.000 6.483 -0.000) 6.483 14.087 ( -0.000 -1.446 0.000) 1.446 14.319 ( -0.000 -10.796 0.000) 10.796 14.465 ( 0.000 4.352 -0.000) 4.352 14.577 ( -0.000 -13.041 0.000) 13.041 14.905 ( -0.000 -2.454 0.000) 2.454 14.928 ( -0.000 -5.646 0.000) 5.646 15.131 ( 0.000 5.575 -0.000) 5.575 15.146 ( -0.000 -8.230 0.000) 8.230 15.315 ( 0.000 5.362 -0.000) 5.362 15.362 ( -0.000 -0.586 0.000) 0.586 15.735 ( -0.000 -5.837 0.000) 5.837 16.953 ( -0.000 -3.766 0.000) 3.766 17.220 ( -0.000 -8.023 0.000) 8.023 18.091 ( 0.000 6.236 -0.000) 6.236 18.374 ( -0.000 -4.430 0.000) 4.430 18.582 ( 0.000 5.944 -0.000) 5.944 18.679 ( 0.000 5.432 -0.000) 5.432 21.849 ( 0.000 11.164 -0.000) 11.164 22.318 ( -0.000 -8.687 0.000) 8.687 23.036 ( 0.000 1.473 -0.000) 1.473 23.486 ( -0.000 -7.910 0.000) 7.910 ======================= Grid point 45 (28/141) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.612 ( 21.478 -0.000 3.908) 21.830 2.625 ( 13.538 -0.000 4.300) 14.204 3.164 ( -5.577 0.000 -2.617) 6.161 4.024 ( 5.415 -0.000 -9.861) 11.250 4.114 ( 13.355 -0.000 4.668) 14.147 4.237 ( 11.540 -0.000 2.355) 11.778 4.482 ( 17.382 -0.000 1.919) 17.488 4.541 ( 5.894 -0.000 4.147) 7.207 4.806 ( 22.116 -0.000 -9.225) 23.962 4.938 ( 7.393 -0.000 2.444) 7.786 5.015 ( 4.994 -0.000 0.234) 5.000 5.086 ( 5.273 -0.000 -0.614) 5.308 5.359 ( 2.618 -0.000 1.824) 3.190 5.558 ( -0.033 0.000 1.222) 1.222 5.931 ( 13.079 -0.000 1.102) 13.126 5.989 ( -1.114 0.000 1.844) 2.155 6.250 ( 9.424 -0.000 1.516) 9.545 6.320 ( -3.728 0.000 -2.498) 4.488 6.457 ( -8.219 0.000 1.163) 8.301 6.847 ( -6.636 0.000 1.327) 6.767 6.988 ( -1.996 0.000 0.948) 2.210 6.992 ( -4.997 0.000 6.416) 8.132 7.031 ( -0.208 0.000 2.345) 2.354 7.146 ( 2.806 -0.000 -3.804) 4.727 7.315 ( -12.320 0.000 -6.399) 13.882 7.783 ( -4.624 0.000 -6.001) 7.576 8.095 ( -0.731 0.000 -6.931) 6.969 8.103 ( 10.238 -0.000 5.310) 11.533 8.395 ( 22.577 -0.000 -0.386) 22.580 8.617 ( 13.693 -0.000 -4.831) 14.520 8.912 ( 3.291 -0.000 2.841) 4.348 8.935 ( -1.638 0.000 3.002) 3.420 9.246 ( -1.361 0.000 1.570) 2.078 9.314 ( 2.820 -0.000 2.648) 3.869 9.682 ( -7.910 0.000 -4.980) 9.347 9.764 ( 10.377 -0.000 0.982) 10.423 9.870 ( 4.697 -0.000 0.786) 4.763 9.989 ( -0.444 0.000 -1.154) 1.236 10.093 ( -2.527 0.000 3.713) 4.491 10.408 ( 1.621 -0.000 1.032) 1.922 10.539 ( -14.861 0.000 2.031) 14.999 10.590 ( 0.496 -0.000 1.098) 1.205 10.620 ( 0.812 -0.000 -0.037) 0.813 10.947 ( 17.447 -0.000 3.445) 17.784 11.166 ( 15.005 -0.000 0.011) 15.005 11.244 ( 11.333 -0.000 4.850) 12.327 11.347 ( -2.979 0.000 -4.376) 5.294 11.404 ( 3.168 -0.000 -1.591) 3.545 11.593 ( 5.845 -0.000 1.130) 5.953 11.707 ( 5.233 -0.000 5.914) 7.896 11.756 ( 0.758 -0.000 -5.496) 5.548 11.790 ( 5.173 -0.000 2.556) 5.770 12.102 ( -14.105 0.000 -7.814) 16.124 12.143 ( -12.020 0.000 -2.154) 12.212 12.327 ( -2.265 0.000 0.545) 2.330 12.405 ( 4.208 -0.000 -0.934) 4.310 12.488 ( 0.562 -0.000 5.584) 5.612 12.530 ( -5.547 0.000 -0.200) 5.550 12.834 ( -8.280 0.000 -2.557) 8.666 12.916 ( 5.967 -0.000 3.833) 7.091 12.982 ( -2.232 0.000 -4.370) 4.907 13.117 ( -6.162 0.000 2.216) 6.549 13.128 ( -7.394 0.000 -2.525) 7.813 13.473 ( -1.814 0.000 0.826) 1.993 13.551 ( 16.452 -0.000 0.354) 16.456 13.720 ( 3.329 -0.000 -2.243) 4.014 13.862 ( -1.620 0.000 -0.054) 1.621 14.139 ( 3.387 -0.000 -7.717) 8.427 14.149 ( 0.136 -0.000 1.584) 1.590 14.453 ( -3.273 0.000 -1.920) 3.795 14.511 ( -8.431 0.000 3.131) 8.993 14.565 ( -2.826 0.000 -0.082) 2.827 14.638 ( -10.969 0.000 3.081) 11.394 14.827 ( -9.303 0.000 -3.236) 9.850 14.891 ( -6.707 0.000 2.207) 7.061 15.103 ( -9.201 0.000 6.698) 11.381 15.458 ( -2.738 0.000 3.270) 4.265 15.520 ( -9.221 0.000 5.146) 10.560 15.705 ( -10.149 0.000 -5.378) 11.486 15.803 ( -1.849 0.000 -5.530) 5.831 16.933 ( -1.849 0.000 3.006) 3.529 17.142 ( 1.136 -0.000 -0.841) 1.414 17.871 ( 3.225 -0.000 1.456) 3.538 17.958 ( 2.212 -0.000 -0.754) 2.337 18.981 ( 0.349 -0.000 -1.987) 2.017 19.021 ( 2.904 -0.000 1.180) 3.134 21.974 ( 5.979 -0.000 4.098) 7.248 22.219 ( 3.419 -0.000 -11.653) 12.144 23.296 ( -5.443 0.000 6.503) 8.481 23.339 ( -8.419 0.000 -1.895) 8.630 ======================= Grid point 46 (29/141) ======================= q-point: ( 0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.884 ( 14.488 -10.016 3.858) 18.031 2.942 ( 6.891 -22.455 1.044) 23.512 3.249 ( -6.532 -17.438 -1.641) 18.693 3.956 ( 1.601 7.678 -5.283) 9.457 4.153 ( 8.301 5.925 2.622) 10.530 4.384 ( 3.998 -3.036 1.415) 5.215 4.596 ( 18.273 8.282 -0.419) 20.066 4.678 ( 4.304 -9.179 0.969) 10.185 4.893 ( -0.822 3.834 -3.856) 5.499 4.921 ( -3.053 -6.351 0.098) 7.047 5.143 ( 6.161 -3.474 1.655) 7.264 5.223 ( 4.474 -2.107 -1.635) 5.209 5.383 ( 6.417 1.856 10.123) 12.128 5.453 ( -1.296 5.797 -5.116) 7.839 5.983 ( 8.064 2.545 -1.326) 8.559 6.105 ( -4.824 -5.722 2.987) 8.058 6.245 ( -0.665 0.288 -1.696) 1.844 6.392 ( 6.349 -7.230 -4.187) 10.494 6.469 ( -1.009 -6.511 3.459) 7.442 6.766 ( -4.780 3.104 -1.839) 5.989 6.836 ( -6.086 5.798 2.206) 8.691 7.041 ( 0.261 -1.484 0.242) 1.526 7.132 ( 1.198 -10.976 2.775) 11.384 7.187 ( -1.709 -8.636 1.955) 9.018 7.394 ( -5.297 -14.896 -4.141) 16.343 7.730 ( -2.069 1.705 -3.336) 4.279 8.044 ( -0.322 3.794 -3.821) 5.395 8.196 ( 4.944 -2.055 3.456) 6.373 8.571 ( 7.206 8.130 -1.959) 11.039 8.711 ( 14.510 -5.450 0.812) 15.521 8.851 ( 0.775 8.555 -1.467) 8.714 8.991 ( 2.750 -3.385 -0.023) 4.361 9.084 ( -2.887 9.317 3.806) 10.470 9.405 ( 5.969 -0.831 3.859) 7.156 9.595 ( -8.366 -1.025 -5.973) 10.330 9.867 ( 6.344 0.230 -0.533) 6.371 9.924 ( 0.639 -1.651 0.226) 1.785 9.998 ( -2.206 -2.700 0.479) 3.519 10.091 ( 2.612 0.781 3.353) 4.322 10.356 ( -12.523 3.640 -1.623) 13.142 10.419 ( 1.023 -1.612 0.778) 2.062 10.665 ( -0.206 -7.374 0.495) 7.394 10.724 ( 1.280 -8.849 0.660) 8.965 11.005 ( 11.107 7.197 2.493) 13.467 11.232 ( -4.087 5.353 -3.228) 7.468 11.305 ( 5.313 3.015 2.167) 6.482 11.405 ( 7.348 -7.818 0.623) 10.747 11.485 ( 7.572 -2.081 0.122) 7.853 11.575 ( -1.407 5.113 2.033) 5.679 11.744 ( 5.679 -0.035 1.866) 5.978 11.820 ( 2.026 -3.560 1.546) 4.378 11.886 ( -1.975 -3.102 -2.302) 4.338 11.919 ( -6.956 1.518 -2.871) 7.677 12.118 ( -7.567 -8.418 -4.275) 12.099 12.283 ( -2.345 -0.182 0.829) 2.494 12.395 ( 0.189 3.967 1.317) 4.184 12.480 ( -3.270 0.470 0.365) 3.323 12.525 ( 0.834 -1.776 1.555) 2.503 12.769 ( -0.673 -0.066 -2.056) 2.165 12.919 ( 2.028 3.328 0.224) 3.904 12.998 ( -1.470 -2.045 -0.537) 2.575 13.046 ( -1.855 1.892 -2.200) 3.444 13.176 ( -2.712 -8.945 2.083) 9.576 13.424 ( 0.735 3.847 0.762) 3.990 13.661 ( 5.562 2.889 -1.993) 6.577 13.734 ( -0.205 -0.742 0.644) 1.004 13.840 ( -1.926 0.488 -0.393) 2.025 14.100 ( 1.403 5.412 1.140) 5.706 14.192 ( 7.202 -0.300 -4.476) 8.485 14.394 ( -0.217 5.039 2.169) 5.490 14.425 ( -1.738 4.213 -3.430) 5.704 14.522 ( -9.859 -3.944 2.323) 10.870 14.556 ( -2.529 2.550 0.248) 3.600 14.771 ( -3.659 -1.829 -1.561) 4.378 14.846 ( -7.536 -1.728 1.770) 7.932 15.057 ( -5.758 -1.266 4.499) 7.416 15.360 ( -2.623 6.025 2.368) 6.985 15.513 ( -2.046 -2.270 -0.791) 3.156 15.565 ( -3.709 6.709 -1.101) 7.745 15.759 ( -2.721 1.975 -2.220) 4.029 16.926 ( -0.850 -0.574 1.285) 1.645 17.111 ( 0.368 4.241 -0.499) 4.286 17.936 ( 2.857 -4.248 1.387) 5.304 18.016 ( 0.240 -4.913 -0.846) 4.991 18.949 ( 0.706 3.764 -1.099) 3.984 19.019 ( 0.897 3.059 0.632) 3.250 22.035 ( 3.367 -1.492 2.302) 4.343 22.207 ( 1.725 2.641 -5.595) 6.424 23.216 ( -0.097 3.861 0.391) 3.882 23.303 ( -7.353 -1.824 1.620) 7.747 ======================= Grid point 47 (30/141) ======================= q-point: (-0.40 -0.60 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.161 ( -0.000 -13.608 0.000) 13.608 3.418 ( -0.000 -26.773 0.000) 26.773 3.591 ( -0.000 -24.347 0.000) 24.347 3.821 ( 0.000 8.358 -0.000) 8.358 4.110 ( 0.000 4.711 -0.000) 4.711 4.416 ( 0.000 1.371 -0.000) 1.371 4.446 ( 0.000 17.366 -0.000) 17.366 4.771 ( 0.000 7.224 -0.000) 7.224 4.879 ( -0.000 -10.299 0.000) 10.299 5.001 ( 0.000 1.349 -0.000) 1.349 5.206 ( -0.000 -1.588 0.000) 1.588 5.210 ( 0.000 4.747 -0.000) 4.747 5.433 ( -0.000 -11.119 0.000) 11.119 5.467 ( -0.000 -0.861 0.000) 0.861 5.927 ( 0.000 7.148 -0.000) 7.148 6.126 ( -0.000 -3.122 0.000) 3.122 6.305 ( -0.000 -4.484 0.000) 4.484 6.563 ( -0.000 -7.332 0.000) 7.332 6.647 ( 0.000 3.914 -0.000) 3.914 6.671 ( -0.000 -13.462 0.000) 13.462 6.737 ( 0.000 1.111 -0.000) 1.111 7.083 ( -0.000 -3.049 0.000) 3.049 7.374 ( -0.000 -14.431 0.000) 14.431 7.397 ( -0.000 -14.523 0.000) 14.523 7.608 ( -0.000 -13.110 0.000) 13.110 7.688 ( -0.000 -0.037 0.000) 0.037 7.955 ( 0.000 5.464 -0.000) 5.464 8.257 ( 0.000 1.255 -0.000) 1.255 8.404 ( 0.000 10.759 -0.000) 10.759 8.681 ( 0.000 10.082 -0.000) 10.082 8.858 ( 0.000 7.626 -0.000) 7.626 8.982 ( -0.000 -12.851 0.000) 12.851 9.081 ( 0.000 1.301 -0.000) 1.301 9.479 ( -0.000 -3.171 0.000) 3.171 9.531 ( 0.000 0.346 -0.000) 0.346 9.874 ( 0.000 3.038 -0.000) 3.038 9.944 ( -0.000 -1.374 0.000) 1.374 10.060 ( -0.000 -6.454 0.000) 6.454 10.090 ( 0.000 2.878 -0.000) 2.878 10.226 ( 0.000 2.107 -0.000) 2.107 10.457 ( 0.000 0.705 -0.000) 0.705 10.822 ( -0.000 -9.577 0.000) 9.577 10.840 ( -0.000 -1.265 0.000) 1.265 10.949 ( 0.000 4.214 -0.000) 4.214 11.113 ( 0.000 3.564 -0.000) 3.564 11.347 ( -0.000 -5.672 0.000) 5.672 11.419 ( 0.000 6.700 -0.000) 6.700 11.504 ( 0.000 1.129 -0.000) 1.129 11.585 ( -0.000 -3.619 0.000) 3.619 11.832 ( 0.000 5.018 -0.000) 5.018 11.847 ( -0.000 -7.116 0.000) 7.116 11.862 ( 0.000 1.204 -0.000) 1.204 11.890 ( -0.000 -1.124 0.000) 1.124 12.199 ( -0.000 -0.824 0.000) 0.824 12.346 ( -0.000 -5.018 0.000) 5.018 12.378 ( -0.000 -4.654 0.000) 4.654 12.460 ( -0.000 -2.897 0.000) 2.897 12.544 ( 0.000 0.617 -0.000) 0.617 12.821 ( -0.000 -5.208 0.000) 5.208 12.835 ( 0.000 6.643 -0.000) 6.643 12.982 ( 0.000 4.311 -0.000) 4.311 13.066 ( -0.000 -5.805 0.000) 5.805 13.304 ( -0.000 -4.897 0.000) 4.897 13.377 ( 0.000 0.661 -0.000) 0.661 13.547 ( 0.000 9.790 -0.000) 9.790 13.800 ( 0.000 2.564 -0.000) 2.564 13.801 ( -0.000 -6.505 0.000) 6.505 14.046 ( 0.000 2.007 -0.000) 2.007 14.202 ( 0.000 3.460 -0.000) 3.460 14.280 ( 0.000 7.393 -0.000) 7.393 14.371 ( 0.000 2.480 -0.000) 2.480 14.477 ( 0.000 6.357 -0.000) 6.357 14.525 ( -0.000 -2.636 0.000) 2.636 14.800 ( -0.000 -0.593 0.000) 0.593 14.835 ( -0.000 -3.702 0.000) 3.702 15.045 ( -0.000 -0.551 0.000) 0.551 15.250 ( 0.000 5.453 -0.000) 5.453 15.423 ( 0.000 6.248 -0.000) 6.248 15.521 ( 0.000 1.249 -0.000) 1.249 15.710 ( 0.000 1.718 -0.000) 1.718 16.939 ( -0.000 -0.414 0.000) 0.414 17.040 ( 0.000 2.059 -0.000) 2.059 18.048 ( -0.000 -5.781 0.000) 5.781 18.115 ( -0.000 -7.197 0.000) 7.197 18.865 ( 0.000 6.773 -0.000) 6.773 18.938 ( 0.000 6.851 -0.000) 6.851 22.100 ( -0.000 -3.946 0.000) 3.946 22.141 ( 0.000 5.710 -0.000) 5.710 23.153 ( 0.000 4.655 -0.000) 4.655 23.296 ( -0.000 -3.151 0.000) 3.151 ======================= Grid point 58 (31/141) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.765 ( 0.000 -0.000 0.000) 0.000 2.901 ( -0.000 0.000 0.000) 0.000 3.036 ( 0.000 -0.000 0.000) 0.000 4.044 ( 0.000 -0.000 0.000) 0.000 4.251 ( 0.000 -0.000 0.000) 0.000 4.347 ( 0.000 -0.000 0.000) 0.000 4.605 ( 0.000 -0.000 -0.000) 0.000 4.716 ( 0.000 -0.000 0.000) 0.000 4.898 ( -0.000 0.000 0.000) 0.000 4.942 ( 0.000 -0.000 0.000) 0.000 5.147 ( 0.000 -0.000 0.000) 0.000 5.220 ( -0.000 0.000 0.000) 0.000 5.435 ( 0.000 -0.000 0.000) 0.000 5.526 ( 0.000 -0.000 -0.000) 0.000 5.950 ( 0.000 -0.000 0.000) 0.000 6.163 ( -0.000 0.000 -0.000) 0.000 6.232 ( 0.000 -0.000 0.000) 0.000 6.272 ( 0.000 -0.000 0.000) 0.000 6.426 ( 0.000 -0.000 0.000) 0.000 6.770 ( 0.000 -0.000 0.000) 0.000 6.953 ( 0.000 -0.000 0.000) 0.000 6.953 ( 0.000 -0.000 0.000) 0.000 7.035 ( 0.000 -0.000 0.000) 0.000 7.161 ( -0.000 0.000 -0.000) 0.000 7.175 ( 0.000 -0.000 -0.000) 0.000 7.731 ( 0.000 -0.000 -0.000) 0.000 8.073 ( 0.000 -0.000 0.000) 0.000 8.204 ( 0.000 -0.000 0.000) 0.000 8.719 ( 0.000 -0.000 0.000) 0.000 8.800 ( 0.000 -0.000 0.000) 0.000 8.830 ( 0.000 -0.000 0.000) 0.000 8.956 ( 0.000 -0.000 0.000) 0.000 9.203 ( 0.000 -0.000 -0.000) 0.000 9.430 ( 0.000 -0.000 0.000) 0.000 9.514 ( 0.000 -0.000 0.000) 0.000 9.889 ( 0.000 -0.000 -0.000) 0.000 9.930 ( 0.000 -0.000 0.000) 0.000 9.977 ( 0.000 -0.000 0.000) 0.000 10.113 ( 0.000 -0.000 0.000) 0.000 10.311 ( 0.000 -0.000 -0.000) 0.000 10.422 ( 0.000 -0.000 0.000) 0.000 10.592 ( 0.000 -0.000 0.000) 0.000 10.631 ( 0.000 -0.000 0.000) 0.000 11.185 ( 0.000 -0.000 0.000) 0.000 11.233 ( -0.000 0.000 -0.000) 0.000 11.330 ( 0.000 -0.000 0.000) 0.000 11.471 ( 0.000 -0.000 0.000) 0.000 11.481 ( -0.000 0.000 0.000) 0.000 11.588 ( 0.000 -0.000 -0.000) 0.000 11.734 ( 0.000 -0.000 0.000) 0.000 11.850 ( 0.000 -0.000 -0.000) 0.000 11.882 ( 0.000 -0.000 -0.000) 0.000 11.892 ( 0.000 -0.000 0.000) 0.000 11.901 ( -0.000 0.000 -0.000) 0.000 12.294 ( 0.000 -0.000 0.000) 0.000 12.459 ( -0.000 0.000 0.000) 0.000 12.464 ( 0.000 -0.000 0.000) 0.000 12.489 ( 0.000 -0.000 0.000) 0.000 12.748 ( 0.000 -0.000 0.000) 0.000 12.966 ( 0.000 -0.000 -0.000) 0.000 12.997 ( 0.000 -0.000 0.000) 0.000 13.054 ( 0.000 -0.000 0.000) 0.000 13.055 ( 0.000 -0.000 0.000) 0.000 13.459 ( 0.000 -0.000 0.000) 0.000 13.723 ( 0.000 -0.000 0.000) 0.000 13.731 ( 0.000 -0.000 0.000) 0.000 13.837 ( 0.000 -0.000 0.000) 0.000 14.168 ( 0.000 -0.000 0.000) 0.000 14.247 ( 0.000 -0.000 -0.000) 0.000 14.400 ( -0.000 0.000 0.000) 0.000 14.452 ( 0.000 -0.000 -0.000) 0.000 14.455 ( 0.000 -0.000 0.000) 0.000 14.553 ( -0.000 0.000 0.000) 0.000 14.697 ( 0.000 -0.000 0.000) 0.000 14.818 ( 0.000 -0.000 0.000) 0.000 15.023 ( 0.000 -0.000 -0.000) 0.000 15.440 ( 0.000 -0.000 0.000) 0.000 15.441 ( 0.000 -0.000 0.000) 0.000 15.599 ( 0.000 -0.000 0.000) 0.000 15.772 ( 0.000 -0.000 -0.000) 0.000 16.920 ( 0.000 -0.000 -0.000) 0.000 17.152 ( 0.000 -0.000 0.000) 0.000 17.906 ( 0.000 -0.000 0.000) 0.000 17.978 ( 0.000 -0.000 0.000) 0.000 18.980 ( 0.000 -0.000 0.000) 0.000 19.053 ( 0.000 -0.000 0.000) 0.000 22.040 ( 0.000 -0.000 0.000) 0.000 22.233 ( 0.000 -0.000 -0.000) 0.000 23.251 ( 0.000 -0.000 0.000) 0.000 23.252 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 105 (32/141) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.866 ( 10.345 -0.000 41.371) 42.645 0.889 ( -1.115 0.000 43.264) 43.278 1.592 ( -1.559 0.000 76.777) 76.793 2.299 ( 6.220 -0.000 -0.419) 6.234 2.593 ( 2.273 -0.000 -0.230) 2.285 2.652 ( -4.682 0.000 4.914) 6.787 3.225 ( -2.337 0.000 -16.411) 16.577 3.729 ( -3.524 0.000 -13.337) 13.794 3.844 ( -9.515 0.000 -7.921) 12.381 4.153 ( 7.522 -0.000 6.749) 10.106 4.486 ( 3.142 -0.000 11.287) 11.716 4.883 ( 0.931 -0.000 -7.377) 7.435 4.920 ( -7.048 0.000 6.185) 9.377 5.352 ( -7.081 0.000 -29.409) 30.250 5.866 ( 7.170 -0.000 1.998) 7.443 5.948 ( -6.507 0.000 -9.951) 11.890 6.117 ( -0.542 0.000 -14.137) 14.147 6.307 ( 2.371 -0.000 -5.970) 6.424 6.736 ( 0.872 -0.000 2.674) 2.812 6.802 ( 7.112 -0.000 1.463) 7.261 6.837 ( 5.275 -0.000 8.522) 10.023 6.862 ( -1.645 0.000 2.221) 2.764 6.971 ( -2.679 0.000 5.505) 6.122 7.241 ( 0.487 -0.000 -1.371) 1.455 7.515 ( -3.074 0.000 -0.999) 3.232 7.688 ( 21.043 -0.000 4.999) 21.628 7.984 ( -3.899 0.000 7.990) 8.891 8.147 ( 0.292 -0.000 -7.061) 7.067 8.560 ( 8.738 -0.000 -2.514) 9.093 8.672 ( -7.569 0.000 -11.953) 14.148 8.870 ( -8.086 0.000 0.963) 8.143 8.934 ( -3.856 0.000 2.440) 4.563 9.116 ( -6.925 0.000 0.649) 6.955 9.297 ( 7.453 -0.000 -4.357) 8.633 9.671 ( -3.205 0.000 -1.247) 3.439 9.671 ( -5.174 0.000 -1.488) 5.383 9.837 ( 3.236 -0.000 -1.548) 3.587 9.895 ( -35.625 0.000 5.240) 36.008 10.066 ( 6.154 -0.000 0.302) 6.162 10.125 ( -5.382 0.000 2.567) 5.963 10.334 ( -1.176 0.000 -4.453) 4.606 10.458 ( 7.084 -0.000 -9.326) 11.712 10.539 ( 0.670 -0.000 4.321) 4.372 10.673 ( 7.720 -0.000 9.929) 12.577 10.824 ( 4.854 -0.000 -1.164) 4.992 10.881 ( 2.786 -0.000 13.125) 13.417 11.037 ( -7.657 0.000 -5.658) 9.521 11.238 ( -1.777 0.000 1.445) 2.290 11.330 ( 1.391 -0.000 5.346) 5.524 11.420 ( 1.407 -0.000 0.114) 1.411 11.535 ( -3.772 0.000 -1.610) 4.101 11.582 ( 2.898 -0.000 1.354) 3.198 11.606 ( 7.729 -0.000 -3.777) 8.602 11.716 ( -10.529 0.000 2.450) 10.811 12.343 ( 1.008 -0.000 1.040) 1.448 12.357 ( -0.923 0.000 -5.481) 5.558 12.472 ( 0.920 -0.000 13.319) 13.350 12.655 ( -3.016 0.000 -1.168) 3.235 12.667 ( -1.908 0.000 1.737) 2.580 12.942 ( 11.882 -0.000 -2.266) 12.096 13.298 ( -0.012 0.000 4.341) 4.341 13.309 ( 0.670 -0.000 -2.235) 2.333 13.574 ( 4.518 -0.000 -7.050) 8.374 13.703 ( -1.778 0.000 -2.161) 2.798 13.777 ( 11.475 -0.000 -0.536) 11.488 13.781 ( -4.918 0.000 -0.873) 4.995 13.968 ( -4.202 0.000 5.206) 6.690 14.278 ( -0.496 0.000 -7.040) 7.057 14.545 ( 8.696 -0.000 7.325) 11.370 14.838 ( 1.407 -0.000 0.101) 1.411 14.850 ( 1.451 -0.000 -1.278) 1.933 14.941 ( 0.482 -0.000 -2.104) 2.158 15.052 ( -4.591 0.000 5.093) 6.857 15.110 ( 4.606 -0.000 -4.479) 6.425 15.396 ( 15.651 -0.000 1.899) 15.765 15.545 ( -1.253 0.000 -9.283) 9.368 16.019 ( -0.090 0.000 -0.112) 0.144 16.174 ( 10.241 -0.000 -0.031) 10.241 16.636 ( 36.562 -0.000 4.239) 36.807 16.766 ( -9.942 0.000 -0.129) 9.943 17.145 ( -0.188 0.000 1.212) 1.227 17.370 ( -6.233 0.000 -3.894) 7.349 17.492 ( 9.746 -0.000 0.719) 9.773 17.506 ( -25.919 0.000 0.352) 25.922 18.828 ( 0.044 -0.000 0.702) 0.703 18.896 ( -1.117 0.000 -0.685) 1.311 21.044 ( -40.288 0.000 2.182) 40.347 21.163 ( 3.421 -0.000 -0.676) 3.487 24.104 ( 15.560 -0.000 0.961) 15.590 24.184 ( -2.668 0.000 -0.861) 2.803 ======================= Grid point 106 (33/141) ======================= q-point: ( 0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( 11.078 -22.456 30.414) 39.396 1.504 ( 15.512 -28.055 35.876) 48.112 2.058 ( 21.528 -31.813 48.841) 62.137 2.504 ( 16.751 -9.674 -1.359) 19.392 2.747 ( 14.156 -9.239 0.731) 16.920 2.776 ( 4.726 -12.546 4.906) 14.276 3.323 ( -0.314 -16.713 -12.781) 21.042 3.701 ( -1.590 -2.724 -12.171) 12.573 3.919 ( 15.933 -4.068 -9.446) 18.964 4.262 ( 4.528 -3.917 4.866) 7.715 4.577 ( 5.839 -3.328 11.816) 13.593 4.839 ( -3.890 -1.534 -1.863) 4.577 5.086 ( -0.663 -16.067 -8.940) 18.398 5.358 ( -2.190 -10.796 -18.975) 21.940 5.843 ( -4.305 1.941 -9.546) 10.650 5.963 ( 6.863 -2.103 0.776) 7.220 6.104 ( -0.821 -3.082 -13.117) 13.500 6.314 ( -1.807 0.974 -1.352) 2.458 6.766 ( 2.813 -1.473 2.765) 4.211 6.833 ( -1.437 0.179 1.037) 1.781 6.910 ( 3.612 0.450 3.001) 4.717 6.954 ( 3.491 -4.866 6.272) 8.672 6.990 ( 5.991 -5.522 2.913) 8.653 7.266 ( 1.710 0.460 0.496) 1.839 7.349 ( -0.800 8.997 8.828) 12.630 7.811 ( 1.459 6.720 6.377) 9.378 7.875 ( 0.871 5.202 -9.591) 10.946 8.168 ( 0.452 -1.853 2.964) 3.525 8.541 ( 0.320 3.730 -6.572) 7.563 8.582 ( -12.784 0.263 -4.323) 13.497 8.718 ( -12.713 -2.640 9.235) 15.934 8.852 ( -7.115 3.115 4.979) 9.226 9.146 ( 1.216 -6.480 0.223) 6.597 9.343 ( -4.979 -1.808 6.118) 8.093 9.404 ( -0.627 -0.127 1.360) 1.503 9.652 ( -2.185 1.005 -1.469) 2.817 9.820 ( 5.612 -4.830 2.487) 7.811 9.855 ( -3.129 -1.871 0.725) 3.718 10.108 ( 0.061 -1.923 0.861) 2.108 10.109 ( 4.844 0.584 0.001) 4.879 10.405 ( -3.115 -3.023 -9.126) 10.106 10.479 ( 3.994 1.037 -5.058) 6.528 10.543 ( -0.086 -0.484 1.289) 1.379 10.720 ( 7.194 4.695 8.275) 11.928 10.848 ( 0.002 1.025 3.305) 3.460 10.946 ( -3.755 0.039 -3.207) 4.938 11.018 ( 4.833 -8.257 8.040) 12.497 11.172 ( -2.758 1.805 6.091) 6.925 11.337 ( 0.383 1.276 1.752) 2.201 11.429 ( -0.090 -7.584 1.958) 7.833 11.512 ( 3.091 -2.940 6.255) 7.572 11.572 ( -1.588 -5.983 -1.770) 6.438 11.750 ( 1.008 -8.883 1.116) 9.009 11.971 ( 13.074 -5.822 -8.203) 16.496 12.343 ( 0.762 -0.408 -2.826) 2.955 12.369 ( 2.210 -0.815 0.020) 2.355 12.494 ( -0.438 0.464 10.726) 10.745 12.646 ( 2.360 1.486 -0.589) 2.851 12.675 ( -2.862 -1.938 0.829) 3.555 13.003 ( 5.106 1.316 -2.253) 5.735 13.295 ( -1.880 0.784 2.828) 3.486 13.343 ( 0.998 -2.150 -4.981) 5.516 13.502 ( -1.347 9.219 -2.544) 9.658 13.649 ( 2.933 2.800 -5.081) 6.501 13.738 ( -2.739 1.423 -2.035) 3.697 13.834 ( 0.271 2.620 -2.525) 3.649 13.885 ( -3.601 3.027 4.646) 6.612 14.150 ( -9.176 6.140 -3.074) 11.461 14.576 ( -0.932 5.470 6.650) 8.661 14.783 ( -3.291 6.115 0.134) 6.946 14.828 ( -2.536 1.570 -0.777) 3.082 14.949 ( 0.428 4.137 5.151) 6.620 14.991 ( 6.187 0.862 1.696) 6.473 15.186 ( -2.390 -4.376 -4.690) 6.845 15.324 ( 1.249 11.657 -9.189) 14.896 15.573 ( 1.346 1.202 -4.627) 4.966 15.997 ( -1.806 1.551 -3.581) 4.300 16.138 ( 4.394 13.112 2.695) 14.089 16.299 ( -7.870 16.451 18.679) 26.105 16.930 ( -2.668 13.796 -6.266) 15.385 17.167 ( -10.030 -6.954 -1.025) 12.248 17.222 ( 3.670 0.187 -2.213) 4.290 17.346 ( -10.312 -1.744 0.993) 10.505 17.663 ( 5.221 -9.335 -3.105) 11.137 18.827 ( 1.396 1.924 1.393) 2.755 18.892 ( -0.252 -0.258 -1.142) 1.197 21.040 ( 9.242 -7.884 4.054) 12.807 21.555 ( -1.624 -28.671 -23.112) 36.863 23.928 ( -4.081 17.119 10.840) 20.669 24.136 ( -1.673 3.961 -1.163) 4.454 ======================= Grid point 107 (34/141) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( 8.052 -22.342 18.240) 29.945 2.116 ( 15.077 -23.477 34.589) 44.440 2.729 ( 10.631 -10.499 4.678) 15.657 2.968 ( 27.255 -19.271 0.368) 33.381 3.137 ( 16.153 -18.164 7.012) 25.299 3.261 ( 15.167 -31.637 -0.612) 35.090 3.695 ( 2.298 -20.245 -7.187) 21.605 3.760 ( 4.590 -12.894 -7.711) 15.710 4.194 ( 22.617 -6.003 -8.733) 24.976 4.366 ( 0.191 -9.256 0.230) 9.261 4.720 ( 7.833 -1.251 11.423) 13.907 4.937 ( -0.074 -12.668 5.636) 13.865 5.313 ( -1.393 -11.785 -10.152) 15.616 5.512 ( -0.152 -9.222 -9.778) 13.441 5.799 ( -1.293 -1.979 -3.665) 4.361 6.059 ( 2.798 -5.161 -0.667) 5.908 6.197 ( -1.369 -3.614 -2.291) 4.493 6.264 ( 1.582 -4.803 -2.471) 5.628 6.741 ( -1.928 4.725 1.746) 5.394 6.817 ( -5.044 3.812 2.226) 6.703 6.929 ( 4.278 -4.903 1.539) 6.686 7.110 ( 3.015 -3.939 1.734) 5.255 7.166 ( 5.217 0.230 6.725) 8.514 7.279 ( 9.196 -9.739 3.986) 13.975 7.364 ( 1.427 -2.594 2.194) 3.685 7.692 ( -0.697 4.823 -4.126) 6.385 7.790 ( 1.908 3.395 -5.655) 6.866 8.188 ( -0.285 0.308 2.893) 2.923 8.458 ( -10.630 0.432 -4.036) 11.379 8.513 ( 1.402 0.696 -0.280) 1.590 8.723 ( -9.937 -0.182 1.561) 10.060 8.808 ( -0.159 -7.742 4.046) 8.737 9.262 ( -0.056 -5.323 -2.299) 5.799 9.389 ( -2.698 -6.660 2.259) 7.533 9.500 ( 6.663 -3.513 0.422) 7.544 9.597 ( -4.035 0.661 -1.661) 4.413 9.840 ( -2.094 -0.759 1.118) 2.492 10.001 ( 4.513 -8.110 1.494) 9.401 10.143 ( 4.912 3.199 -1.257) 5.995 10.171 ( 2.788 -4.390 0.161) 5.203 10.364 ( 4.587 3.010 -7.717) 9.468 10.525 ( -1.209 -0.595 -1.946) 2.367 10.567 ( 2.140 -5.288 0.341) 5.715 10.713 ( 1.444 1.657 3.694) 4.298 10.818 ( -0.697 0.130 -2.101) 2.218 10.956 ( 5.960 0.859 -0.711) 6.063 11.164 ( -2.387 -4.062 9.213) 10.348 11.252 ( 5.241 -7.297 5.489) 10.528 11.419 ( 4.694 -8.104 -1.855) 9.547 11.555 ( -3.273 -7.740 -0.068) 8.404 11.663 ( 3.698 -8.593 8.209) 12.446 11.677 ( 6.048 -4.458 2.682) 7.978 11.944 ( 5.528 -9.218 0.362) 10.755 12.061 ( 1.116 2.972 1.057) 3.346 12.404 ( 2.109 -0.848 -1.838) 2.923 12.423 ( 5.786 -5.199 -4.445) 8.959 12.497 ( -0.419 0.091 6.605) 6.619 12.643 ( 2.796 1.519 0.476) 3.217 12.678 ( -2.440 -2.229 1.077) 3.476 13.027 ( 1.150 -1.158 -1.997) 2.580 13.209 ( -7.453 13.633 -2.873) 15.801 13.235 ( -5.407 3.900 -0.489) 6.684 13.394 ( 1.112 0.197 -2.542) 2.782 13.639 ( 0.675 0.483 -7.112) 7.160 13.663 ( 1.388 7.788 2.701) 8.359 13.700 ( -1.803 5.767 -0.446) 6.058 13.883 ( -3.820 1.903 0.118) 4.269 13.955 ( -5.469 1.711 -0.829) 5.790 14.428 ( -4.444 8.445 7.918) 12.400 14.624 ( -3.506 8.013 0.195) 8.749 14.747 ( -6.921 2.735 -0.967) 7.504 14.842 ( -3.395 10.592 1.842) 11.274 14.973 ( 3.153 6.057 1.980) 7.110 15.162 ( 2.166 5.186 -1.077) 5.722 15.200 ( -6.728 -1.965 -3.489) 7.829 15.474 ( -1.817 8.106 -5.425) 9.922 15.842 ( -2.844 13.738 1.426) 14.102 15.947 ( -2.747 8.976 1.113) 9.453 16.039 ( -7.936 12.720 7.676) 16.844 16.543 ( -12.444 17.876 -3.265) 22.024 17.156 ( -8.853 -6.081 2.861) 11.115 17.299 ( -6.256 -2.442 -0.182) 6.718 17.355 ( 12.085 -3.020 -4.973) 13.413 17.849 ( 4.571 -7.396 -3.508) 9.375 18.781 ( -0.899 4.464 1.956) 4.956 18.894 ( 1.345 0.367 -1.070) 1.758 21.307 ( 11.939 -9.369 7.425) 16.895 21.839 ( -3.221 -13.591 -23.588) 27.414 23.642 ( -7.219 12.421 10.273) 17.662 24.027 ( -1.822 6.076 -1.074) 6.434 ======================= Grid point 108 (35/141) ======================= q-point: ( 0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.178 ( 5.366 -15.256 6.618) 17.474 2.722 ( 15.879 -24.111 27.006) 39.533 2.927 ( 4.877 -5.665 -1.953) 7.726 3.407 ( 14.173 -12.768 5.098) 19.746 3.587 ( 0.927 -4.397 -20.918) 21.395 3.714 ( 23.677 -18.120 -3.740) 30.049 3.947 ( 4.578 -17.488 0.044) 18.077 4.325 ( 22.101 -20.739 1.270) 30.335 4.406 ( 2.383 -10.685 -0.518) 10.960 4.723 ( 9.410 -10.018 6.237) 15.093 4.829 ( 6.602 -11.336 5.197) 14.110 5.178 ( 1.589 -11.136 0.581) 11.264 5.420 ( -0.153 -7.109 0.101) 7.112 5.566 ( -1.322 1.497 -3.209) 3.780 5.874 ( -1.033 -7.713 2.456) 8.160 6.129 ( 0.815 1.555 0.077) 1.757 6.280 ( -2.319 -15.315 3.934) 15.981 6.488 ( 6.038 -6.663 -5.309) 10.442 6.583 ( -4.653 3.765 -0.912) 6.055 6.760 ( -2.136 -0.500 -0.726) 2.311 7.044 ( -0.895 -5.713 -1.041) 5.876 7.120 ( 2.986 1.152 1.239) 3.432 7.254 ( 0.722 -1.769 1.263) 2.291 7.398 ( 2.749 2.498 2.866) 4.692 7.551 ( 12.154 -4.702 -0.088) 13.032 7.660 ( 1.869 -2.464 -1.950) 3.656 7.891 ( 7.758 -13.112 -4.312) 15.833 8.162 ( -1.477 2.137 -0.250) 2.610 8.327 ( -4.180 5.292 -5.768) 8.874 8.525 ( 1.238 -0.924 -1.751) 2.335 8.633 ( -10.975 -2.447 4.522) 12.120 8.993 ( 3.060 -9.594 3.249) 10.581 9.303 ( -2.723 -1.729 -3.041) 4.433 9.457 ( -0.035 1.343 0.637) 1.487 9.512 ( -0.674 -0.744 0.334) 1.057 9.652 ( -3.233 -6.453 -0.648) 7.247 9.874 ( 3.718 -1.843 2.522) 4.855 10.098 ( 1.455 1.886 -2.475) 3.435 10.157 ( 0.976 -5.066 1.020) 5.259 10.290 ( 6.390 -4.055 -0.410) 7.579 10.372 ( 2.718 0.870 -0.455) 2.889 10.525 ( 0.821 -3.661 -7.204) 8.123 10.698 ( -1.918 -0.350 0.673) 2.062 10.736 ( 7.388 -4.956 -1.369) 9.002 10.872 ( 5.486 -3.711 3.135) 7.328 10.993 ( 2.565 -1.851 -3.206) 4.504 11.267 ( 1.511 -7.606 4.281) 8.858 11.413 ( 5.021 -6.041 4.439) 9.023 11.571 ( -5.508 -2.106 -2.609) 6.449 11.641 ( 1.951 -8.341 -2.188) 8.841 11.828 ( 5.429 -4.761 5.617) 9.149 11.862 ( 3.770 -3.734 6.117) 8.098 11.917 ( 0.692 7.141 8.258) 10.939 12.186 ( 7.170 -9.083 -0.227) 11.574 12.365 ( -4.516 4.220 0.955) 6.255 12.453 ( -1.813 1.350 -0.585) 2.335 12.566 ( 0.113 -2.630 -0.430) 2.667 12.660 ( 1.313 -1.324 1.223) 2.230 12.770 ( 5.089 -6.743 -0.538) 8.465 12.895 ( -5.644 12.003 -1.489) 13.347 13.034 ( -1.070 0.328 -5.971) 6.075 13.096 ( -7.995 5.246 -2.215) 9.815 13.392 ( 2.849 2.121 -0.361) 3.570 13.534 ( -1.626 4.674 3.620) 6.132 13.612 ( 2.954 7.028 -2.049) 7.895 13.661 ( 0.906 -3.468 -2.614) 4.436 13.744 ( -3.825 1.346 -0.542) 4.091 13.999 ( -0.916 -3.078 0.028) 3.211 14.279 ( -1.070 7.277 4.282) 8.511 14.468 ( -2.094 6.940 0.058) 7.249 14.563 ( -8.641 9.056 -1.662) 12.627 14.645 ( -9.697 2.749 3.074) 10.537 14.876 ( 0.944 8.208 -2.502) 8.633 15.090 ( -0.173 8.062 0.333) 8.071 15.151 ( -4.012 -1.131 3.111) 5.201 15.291 ( -3.728 8.450 -4.357) 10.212 15.541 ( -4.375 16.056 -2.289) 16.798 15.722 ( -9.924 14.702 3.482) 18.076 15.786 ( 0.380 8.728 1.776) 8.915 16.127 ( -12.158 16.802 -2.720) 20.917 17.182 ( -2.015 -1.669 0.286) 2.632 17.314 ( -7.535 -7.347 1.561) 10.639 17.554 ( 11.332 -7.836 -1.649) 13.876 17.983 ( 3.761 -4.419 -3.038) 6.550 18.666 ( -3.496 6.971 1.189) 7.888 18.902 ( 2.447 0.863 0.006) 2.595 21.589 ( 10.074 -9.455 9.833) 16.958 21.911 ( -4.277 -4.451 -16.053) 17.199 23.400 ( -8.021 9.302 4.222) 12.988 23.912 ( -0.854 5.518 -0.847) 5.648 ======================= Grid point 109 (36/141) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.400 ( 2.214 -6.492 -2.513) 7.305 3.015 ( 0.481 -2.445 -1.967) 3.175 3.292 ( 13.412 -17.888 16.995) 28.084 3.522 ( -0.865 1.299 -14.590) 14.674 3.714 ( 9.278 -8.230 7.161) 14.321 4.114 ( 3.850 -12.124 -2.080) 12.889 4.340 ( 21.172 -13.654 0.091) 25.193 4.548 ( -1.865 -5.540 -0.796) 5.899 4.712 ( 6.426 1.861 -2.665) 7.201 4.814 ( 7.933 -8.815 5.348) 13.009 5.117 ( -6.025 -7.957 -1.807) 10.143 5.313 ( 1.537 -5.618 1.791) 6.093 5.489 ( -1.428 3.156 0.831) 3.562 5.649 ( 8.588 -11.918 10.235) 17.904 5.969 ( -7.267 -0.101 7.406) 10.376 6.098 ( 1.357 0.390 1.255) 1.889 6.354 ( 1.741 2.854 -6.218) 7.060 6.568 ( -1.961 -12.774 -3.420) 13.369 6.725 ( 1.677 -4.568 3.454) 5.967 6.779 ( -0.096 -6.338 -3.276) 7.135 7.075 ( -3.488 -0.389 -0.795) 3.599 7.149 ( 1.961 -0.769 -5.661) 6.040 7.233 ( 0.518 4.291 1.688) 4.640 7.370 ( 1.148 0.266 -0.148) 1.187 7.643 ( 7.133 2.457 -5.204) 9.165 7.803 ( 2.349 -8.060 3.734) 9.189 8.061 ( -3.012 1.525 -5.434) 6.398 8.172 ( -1.408 4.881 -6.031) 7.885 8.303 ( 10.098 -12.110 -0.553) 15.777 8.555 ( 3.102 -1.482 -3.943) 5.231 8.675 ( -5.237 -11.243 8.698) 15.149 9.158 ( 7.265 -1.691 5.298) 9.150 9.256 ( -6.517 0.314 -4.305) 7.816 9.380 ( -1.459 4.699 3.647) 6.124 9.551 ( -0.217 -2.504 -0.721) 2.615 9.658 ( -4.503 0.334 -0.522) 4.545 9.893 ( 1.416 2.665 0.110) 3.020 10.172 ( -0.856 -8.149 0.753) 8.229 10.224 ( -1.385 -5.388 -1.497) 5.761 10.365 ( 6.039 1.525 -1.896) 6.511 10.434 ( 6.923 -2.201 1.891) 7.506 10.608 ( 1.969 -1.861 -2.812) 3.905 10.677 ( -4.093 -0.833 -2.335) 4.786 10.793 ( 2.182 2.758 -1.406) 3.788 10.966 ( 9.342 -3.396 -1.063) 9.997 11.197 ( 4.698 -11.327 1.772) 12.390 11.378 ( -2.688 -2.982 -0.168) 4.018 11.510 ( -3.521 -1.887 -2.220) 4.570 11.572 ( 2.158 -5.216 3.749) 6.776 11.628 ( -6.304 9.825 9.216) 14.873 11.771 ( 1.696 -2.886 -1.028) 3.501 11.944 ( 1.611 2.687 0.935) 3.269 12.058 ( 9.468 -4.139 2.362) 10.600 12.212 ( -5.098 2.139 0.208) 5.532 12.360 ( 1.377 -4.254 -1.000) 4.582 12.437 ( 1.779 1.273 2.538) 3.351 12.534 ( -7.869 2.855 -0.683) 8.399 12.630 ( 0.244 7.794 3.416) 8.513 12.723 ( -2.712 2.365 -2.709) 4.504 12.873 ( -2.358 1.847 0.569) 3.049 12.979 ( 2.244 -0.951 -4.353) 4.989 13.038 ( 1.161 -3.824 -3.925) 5.602 13.408 ( 2.883 -2.143 -0.682) 3.656 13.494 ( -1.734 1.894 6.331) 6.832 13.534 ( 0.866 0.801 -3.239) 3.447 13.730 ( 4.775 -1.574 -0.539) 5.057 13.803 ( 1.724 -3.517 -1.872) 4.341 14.039 ( -0.673 -4.606 2.135) 5.121 14.150 ( -3.741 4.557 -1.960) 6.212 14.331 ( -1.370 6.156 0.657) 6.341 14.393 ( -3.654 4.159 3.431) 6.513 14.544 ( -9.827 0.197 -2.179) 10.068 14.738 ( -1.010 6.823 -2.415) 7.308 14.902 ( -1.708 9.197 1.702) 9.507 15.134 ( -0.126 5.465 -1.869) 5.778 15.168 ( -2.461 -0.553 -0.681) 2.612 15.280 ( -0.163 11.272 -1.956) 11.442 15.432 ( -7.545 7.017 3.687) 10.944 15.682 ( 3.043 5.817 4.524) 7.973 15.744 ( -10.831 14.166 -4.198) 18.320 17.169 ( 0.950 2.048 -2.972) 3.733 17.382 ( -5.690 -6.929 3.061) 9.474 17.808 ( 9.133 -9.203 1.909) 13.105 18.068 ( 2.067 -3.828 -3.365) 5.500 18.490 ( -4.730 8.976 -0.003) 10.146 18.908 ( 1.517 0.965 1.313) 2.227 21.815 ( -0.739 -4.501 -3.982) 6.055 21.911 ( 4.547 -4.130 6.157) 8.698 23.194 ( -6.832 6.769 -2.191) 9.864 23.833 ( 0.258 3.223 -0.652) 3.298 ======================= Grid point 110 (37/141) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.440 ( -1.778 0.594 -6.497) 6.763 2.994 ( -4.039 3.693 -2.222) 5.907 3.248 ( -3.937 12.944 -7.677) 15.555 3.807 ( 9.427 -3.724 11.052) 14.996 3.907 ( 9.061 -11.664 10.254) 17.981 4.288 ( -2.708 -8.711 2.821) 9.549 4.521 ( -7.046 1.815 -4.639) 8.629 4.560 ( -0.051 2.192 -3.553) 4.175 4.782 ( 3.490 -4.522 -2.516) 6.242 4.928 ( 1.718 1.039 -0.199) 2.018 5.032 ( -8.650 4.338 2.711) 10.049 5.404 ( 4.906 -1.368 2.581) 5.709 5.451 ( -3.457 3.652 -0.176) 5.032 5.726 ( -5.546 12.884 12.100) 18.525 5.928 ( 5.367 -7.858 5.842) 11.166 6.163 ( -0.375 -1.167 1.897) 2.258 6.374 ( 5.728 -0.477 -4.380) 7.227 6.652 ( -3.388 -2.088 -8.119) 9.042 6.765 ( 1.245 -1.008 0.724) 1.758 6.921 ( -0.663 -7.049 2.552) 7.526 6.992 ( -1.242 6.864 3.950) 8.016 7.142 ( 1.569 2.151 -8.134) 8.559 7.172 ( -3.535 -0.819 -0.817) 3.720 7.425 ( -1.619 -3.452 -0.061) 3.813 7.626 ( 1.929 1.896 -7.670) 8.133 7.845 ( 1.282 6.590 -1.378) 6.853 7.985 ( -1.923 1.114 -8.322) 8.614 8.132 ( -0.362 -0.654 -2.944) 3.037 8.387 ( -6.875 1.942 4.079) 8.226 8.679 ( 4.974 -3.733 0.359) 6.230 8.887 ( 5.382 -10.014 1.093) 11.421 9.075 ( -4.391 10.044 2.675) 11.284 9.262 ( 1.307 -0.915 2.952) 3.355 9.336 ( 2.485 1.021 3.155) 4.144 9.584 ( -1.350 -1.681 -1.574) 2.669 9.621 ( 2.361 -0.092 1.104) 2.608 9.874 ( -1.068 -0.538 -1.536) 1.946 10.208 ( -1.383 0.804 -0.179) 1.609 10.321 ( -0.813 -2.895 -0.013) 3.007 10.429 ( -7.488 -7.972 -0.758) 10.964 10.523 ( 10.021 0.839 0.317) 10.061 10.552 ( 0.939 9.400 1.106) 9.512 10.619 ( -2.149 -2.214 2.237) 3.811 10.843 ( 5.987 -1.833 -9.994) 11.793 11.150 ( 2.333 -7.332 -0.173) 7.696 11.170 ( -4.490 4.307 2.510) 6.709 11.337 ( -8.267 6.129 5.089) 11.481 11.451 ( -7.901 3.015 -2.591) 8.845 11.631 ( 0.934 3.651 0.765) 3.846 11.660 ( 12.230 -5.418 5.519) 14.470 11.819 ( 0.977 -3.706 0.737) 3.903 11.863 ( -1.135 0.595 -0.075) 1.284 12.138 ( 1.174 7.745 1.827) 8.043 12.249 ( 0.099 -2.335 -2.723) 3.589 12.302 ( -3.471 2.463 -3.804) 5.708 12.362 ( -1.633 1.706 -1.363) 2.727 12.500 ( 0.169 -1.485 -0.216) 1.510 12.510 ( -1.659 2.395 5.401) 6.137 12.694 ( -0.690 -0.320 -1.823) 1.976 12.829 ( 0.409 -0.469 1.328) 1.466 13.039 ( 5.097 -0.533 -3.625) 6.277 13.131 ( 1.597 -3.669 -2.971) 4.984 13.464 ( -3.840 -0.215 4.895) 6.225 13.491 ( 2.838 0.949 0.604) 3.052 13.541 ( -4.018 -4.047 1.450) 5.885 13.746 ( -1.297 1.083 -2.092) 2.689 13.813 ( 2.364 -0.094 -0.248) 2.379 14.042 ( -6.077 0.519 -5.270) 8.061 14.162 ( 3.348 -2.578 4.213) 5.967 14.277 ( -7.604 5.845 -5.403) 11.008 14.359 ( 3.458 -0.625 5.111) 6.203 14.450 ( 3.777 -4.454 0.325) 5.849 14.671 ( 5.080 -1.677 -2.779) 6.028 14.869 ( -0.226 0.921 5.386) 5.469 15.058 ( -4.060 4.713 -6.583) 9.057 15.101 ( -1.265 -4.736 -1.416) 5.102 15.165 ( 3.184 2.821 1.120) 4.399 15.391 ( -0.801 6.561 1.963) 6.895 15.521 ( -3.607 -6.064 -1.752) 7.270 15.689 ( 6.121 -0.787 4.083) 7.399 17.129 ( 2.508 3.708 -4.256) 6.177 17.425 ( -2.461 -1.839 3.101) 4.365 17.948 ( 0.491 0.631 3.125) 3.226 18.183 ( 2.147 -5.085 -1.104) 5.629 18.312 ( -2.104 3.355 -2.653) 4.767 18.902 ( -0.601 0.436 1.801) 1.948 21.728 ( -6.702 3.983 -6.042) 9.863 22.161 ( 10.302 -9.847 15.051) 20.728 23.040 ( -4.461 3.949 -8.213) 10.146 23.810 ( 1.236 0.148 -0.478) 1.334 ======================= Grid point 111 (38/141) ======================= q-point: (-0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.337 ( -5.980 6.098 -3.908) 9.393 2.750 ( -11.820 16.657 -1.024) 20.450 2.961 ( -2.326 15.265 -1.434) 15.507 3.781 ( -0.471 8.247 6.598) 10.572 4.153 ( 4.550 1.650 3.806) 6.157 4.260 ( -18.122 6.132 0.423) 19.136 4.426 ( -8.514 2.558 -5.501) 10.454 4.462 ( -5.583 -0.439 2.722) 6.227 4.687 ( -12.056 -1.447 0.658) 12.161 4.758 ( -5.807 15.577 1.403) 16.683 5.019 ( -0.432 3.034 -0.175) 3.069 5.200 ( -5.093 14.725 3.733) 16.022 5.442 ( 4.938 6.380 2.163) 8.353 5.614 ( 2.295 2.325 5.989) 6.822 5.930 ( 2.490 7.418 0.087) 7.826 6.170 ( -3.812 0.020 2.220) 4.411 6.471 ( 6.213 -3.138 -0.122) 6.962 6.584 ( -3.088 4.659 -0.279) 5.597 6.742 ( -2.228 5.660 -6.879) 9.183 6.891 ( -0.475 1.468 6.201) 6.390 6.951 ( -3.963 3.386 3.259) 6.147 7.086 ( 1.787 5.012 -5.299) 7.509 7.197 ( -1.925 -3.997 -3.877) 5.892 7.392 ( -1.213 2.113 0.757) 2.551 7.634 ( 3.982 0.981 -9.665) 10.499 7.728 ( -2.306 1.752 -0.958) 3.050 7.908 ( -12.414 2.532 -2.574) 12.929 8.098 ( 4.445 2.101 -5.923) 7.697 8.293 ( -9.431 2.289 -1.930) 9.895 8.617 ( 1.053 12.789 3.449) 13.288 8.890 ( -1.388 0.902 6.831) 7.028 9.112 ( 4.331 -5.332 -2.739) 7.395 9.251 ( 6.577 7.634 4.480) 11.027 9.387 ( 1.789 -3.936 -0.696) 4.380 9.577 ( -4.775 -1.238 -0.446) 4.953 9.707 ( 9.306 -0.998 0.763) 9.391 9.870 ( -2.352 -1.211 -0.014) 2.645 10.141 ( -4.232 3.357 -0.107) 5.403 10.263 ( -3.079 8.443 -0.349) 8.994 10.371 ( -6.861 -3.768 -1.583) 7.987 10.497 ( 2.300 6.889 3.608) 8.110 10.613 ( 0.701 -2.475 -1.711) 3.089 10.659 ( 1.404 -2.834 1.717) 3.599 10.856 ( 0.536 2.310 -7.700) 8.057 10.985 ( -14.023 7.748 -0.013) 16.021 11.165 ( -5.873 4.335 -6.018) 9.460 11.208 ( 1.431 5.454 4.564) 7.254 11.442 ( 3.292 0.274 0.731) 3.384 11.526 ( 2.067 1.175 3.404) 4.152 11.739 ( -0.520 4.356 6.507) 7.848 11.805 ( -4.787 4.697 -1.033) 6.785 11.887 ( -3.494 8.245 1.497) 9.079 12.012 ( 2.998 -4.839 1.678) 5.934 12.208 ( 3.103 -1.168 -0.833) 3.419 12.309 ( 3.127 2.705 0.197) 4.139 12.368 ( -7.563 -1.521 -1.049) 7.786 12.541 ( 3.838 -11.251 -0.079) 11.888 12.610 ( 1.576 -3.747 1.960) 4.513 12.696 ( -0.201 -1.815 -2.099) 2.782 12.848 ( 2.194 4.274 -0.979) 4.904 13.067 ( 5.252 -1.220 -3.589) 6.477 13.168 ( -0.338 -0.629 -3.037) 3.120 13.366 ( -4.135 3.840 3.477) 6.628 13.470 ( -0.948 0.228 -1.238) 1.576 13.603 ( -10.050 0.461 -1.495) 10.171 13.737 ( 4.709 -5.933 8.882) 11.674 13.853 ( 2.161 -1.410 -1.281) 2.881 13.979 ( -5.519 1.656 -0.435) 5.778 14.074 ( -2.014 1.403 -4.767) 5.362 14.300 ( 3.963 -7.379 0.500) 8.391 14.492 ( 5.461 -5.457 2.193) 8.026 14.592 ( 8.685 -2.876 -2.208) 9.412 14.773 ( -1.985 0.702 1.803) 2.772 14.902 ( 5.200 -9.589 -1.166) 10.970 15.005 ( 0.046 -3.312 -0.657) 3.377 15.213 ( 1.782 -2.270 -0.467) 2.923 15.253 ( 6.150 0.071 -4.207) 7.451 15.342 ( 0.406 -15.165 3.586) 15.588 15.743 ( 7.399 -14.059 0.090) 15.887 15.822 ( 6.629 -5.856 1.861) 9.038 17.085 ( 3.880 4.198 -3.668) 6.792 17.405 ( -0.602 2.763 2.488) 3.767 17.838 ( -4.760 8.864 2.465) 10.358 18.114 ( -3.754 4.052 -2.364) 6.008 18.456 ( 4.448 -9.685 -0.663) 10.678 18.895 ( -2.118 -1.088 1.022) 2.591 21.567 ( -7.287 5.999 -2.179) 9.687 22.463 ( 11.203 -10.177 17.001) 22.762 22.942 ( -2.561 1.756 -13.951) 14.293 23.849 ( 2.023 -2.879 -0.222) 3.526 ======================= Grid point 112 (39/141) ======================= q-point: (-0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( -10.590 13.593 7.161) 18.660 2.262 ( -13.996 25.499 6.171) 29.735 2.687 ( -3.099 13.294 -2.302) 13.843 3.563 ( -8.321 14.042 3.326) 16.658 3.774 ( -31.021 19.545 3.855) 36.867 3.961 ( -14.797 21.445 1.995) 26.131 4.154 ( -5.701 13.443 -4.804) 15.372 4.324 ( -11.500 12.947 -8.970) 19.503 4.434 ( -1.391 9.485 3.230) 10.116 4.655 ( -13.990 7.580 -2.834) 16.162 4.757 ( -9.901 11.840 5.460) 16.371 5.066 ( 5.035 1.396 14.239) 15.168 5.341 ( 3.441 7.678 -3.729) 9.203 5.648 ( 3.522 -0.593 1.081) 3.731 5.914 ( 3.945 -0.240 2.442) 4.646 6.072 ( -5.566 4.075 -3.924) 7.936 6.349 ( 0.162 21.373 3.051) 21.591 6.453 ( -4.912 2.320 -7.815) 9.518 6.727 ( -1.346 -5.316 2.597) 6.068 6.808 ( -0.377 6.587 1.482) 6.762 6.891 ( -1.069 3.259 4.505) 5.662 7.018 ( 0.788 2.369 -1.410) 2.867 7.205 ( 0.396 1.551 -4.721) 4.986 7.330 ( 0.770 6.921 0.234) 6.968 7.675 ( -9.368 6.998 -1.114) 11.746 7.694 ( -1.364 -1.526 2.224) 3.023 7.747 ( -0.616 -7.425 -7.216) 10.372 8.031 ( -9.690 10.260 2.580) 14.346 8.157 ( 4.840 -3.308 -10.022) 11.611 8.554 ( 5.286 0.825 0.271) 5.357 8.905 ( -1.618 -1.330 7.020) 7.326 9.134 ( 0.587 5.306 4.480) 6.969 9.211 ( 11.073 5.995 -3.298) 13.016 9.436 ( -1.024 2.176 -3.932) 4.609 9.546 ( -2.867 -2.973 0.040) 4.130 9.709 ( -0.698 9.185 1.539) 9.339 9.898 ( 0.420 -3.658 3.609) 5.156 10.098 ( -2.599 -1.577 -0.350) 3.060 10.113 ( -0.147 3.673 -1.573) 3.998 10.344 ( -3.650 9.273 1.001) 10.016 10.406 ( -0.697 -3.571 0.566) 3.682 10.603 ( -0.816 2.576 -2.345) 3.578 10.654 ( -11.054 7.407 -1.905) 13.442 10.711 ( -2.119 2.676 -1.615) 3.776 10.851 ( 4.641 2.302 -5.245) 7.372 10.927 ( -11.553 7.507 -7.186) 15.539 11.142 ( 1.937 7.209 9.935) 12.426 11.365 ( -3.621 5.519 1.294) 6.726 11.515 ( 0.142 7.705 -0.420) 7.718 11.661 ( -5.150 6.403 -0.713) 8.248 11.726 ( 3.075 1.656 5.410) 6.439 11.800 ( -2.880 -4.028 3.410) 6.012 11.966 ( -6.205 6.088 4.726) 9.894 12.214 ( -2.756 5.958 1.491) 6.732 12.328 ( 4.001 -2.292 -1.099) 4.740 12.437 ( -0.715 -6.360 3.029) 7.081 12.619 ( -2.691 3.461 0.316) 4.396 12.636 ( -1.399 -0.462 0.797) 1.675 12.784 ( 4.615 3.062 -2.876) 6.241 12.898 ( 7.816 -16.993 -0.263) 18.706 13.092 ( -6.941 4.364 -1.061) 8.267 13.181 ( 8.272 -2.239 -3.876) 9.405 13.366 ( 0.041 -5.630 -1.875) 5.934 13.428 ( 0.348 0.497 -3.983) 4.028 13.508 ( -4.961 -1.469 -1.238) 5.320 13.845 ( -3.010 5.353 2.373) 6.584 13.913 ( 0.503 -6.097 -1.581) 6.319 14.021 ( 7.245 -9.913 7.151) 14.209 14.118 ( -0.543 -6.721 2.626) 7.236 14.470 ( 1.128 -7.662 0.702) 7.776 14.617 ( 4.447 0.883 1.672) 4.833 14.638 ( 5.107 -4.316 0.900) 6.747 14.862 ( 1.474 -8.560 -5.787) 10.438 15.086 ( -0.065 -2.722 0.717) 2.816 15.109 ( 7.008 -9.051 -0.705) 11.468 15.220 ( 3.639 -1.923 -8.375) 9.332 15.455 ( 9.256 -9.917 4.006) 14.145 15.660 ( 3.032 -17.008 5.439) 18.112 15.969 ( 7.890 -3.459 -3.232) 9.201 16.117 ( 9.887 -19.119 -0.183) 21.525 17.060 ( 4.561 2.816 -1.400) 5.540 17.343 ( -1.117 3.547 1.197) 3.907 17.634 ( -2.283 10.271 0.467) 10.532 18.002 ( -5.319 3.959 -2.740) 7.174 18.634 ( 2.985 -7.060 0.553) 7.685 18.903 ( -2.333 -2.122 0.044) 3.154 21.386 ( -7.956 6.432 0.201) 10.233 22.720 ( 2.183 -4.178 2.166) 5.188 22.913 ( 6.184 -3.504 -2.771) 7.628 23.939 ( 2.507 -5.040 0.008) 5.629 ======================= Grid point 113 (40/141) ======================= q-point: (-0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( -13.569 29.237 16.229) 36.088 1.722 ( -12.568 20.221 24.238) 33.975 2.470 ( -2.457 8.732 -3.822) 9.844 2.958 ( -34.901 41.945 13.752) 56.272 3.179 ( -14.875 17.620 -0.696) 23.070 3.333 ( -20.350 25.721 7.269) 33.594 3.824 ( -4.820 21.183 -10.426) 24.097 3.990 ( -7.508 9.180 -5.902) 13.247 4.284 ( -19.119 2.108 -7.010) 20.473 4.319 ( -3.672 12.172 0.321) 12.718 4.542 ( -3.710 7.613 10.319) 13.349 5.120 ( -3.303 4.838 9.599) 11.245 5.248 ( 3.939 3.263 -8.476) 9.900 5.663 ( -1.562 2.324 -7.033) 7.569 5.896 ( -0.504 5.838 -0.325) 5.868 5.939 ( -0.770 4.444 -7.618) 8.853 6.179 ( 6.737 0.148 8.970) 11.219 6.334 ( -5.381 4.298 -10.454) 12.518 6.680 ( 2.594 6.292 3.009) 7.441 6.797 ( 1.220 -0.670 0.851) 1.631 6.846 ( 0.411 2.360 3.720) 4.425 7.001 ( -1.546 0.160 2.316) 2.789 7.147 ( -5.486 12.725 4.907) 14.700 7.169 ( -0.386 1.251 -0.850) 1.561 7.405 ( -4.891 9.534 -0.036) 10.715 7.720 ( 1.159 0.376 -1.221) 1.725 7.901 ( -6.768 -2.604 2.754) 7.757 7.952 ( 6.167 -10.502 0.492) 12.188 8.261 ( 6.359 -4.385 -9.441) 12.198 8.607 ( 2.225 -2.371 -0.922) 3.380 8.917 ( -1.944 -0.710 9.284) 9.512 9.051 ( -0.217 4.973 6.183) 7.937 9.218 ( 9.068 4.031 -4.374) 10.845 9.308 ( -1.534 6.771 -3.889) 7.958 9.497 ( -1.537 11.756 1.364) 11.934 9.614 ( -0.517 -4.596 0.047) 4.625 9.957 ( -5.059 4.879 2.444) 7.441 9.972 ( -1.521 -0.355 2.693) 3.114 10.150 ( -5.112 6.966 -2.482) 8.990 10.218 ( 0.576 -4.652 2.478) 5.302 10.420 ( 0.156 7.013 -5.118) 8.684 10.455 ( 1.808 1.558 0.802) 2.517 10.561 ( -8.310 -0.293 -3.746) 9.120 10.577 ( -0.910 2.755 -7.936) 8.450 10.796 ( -4.440 -0.991 -1.990) 4.966 10.879 ( 6.053 2.972 1.306) 6.869 11.075 ( 2.651 4.084 10.398) 11.481 11.234 ( -5.498 3.847 1.146) 6.808 11.413 ( 1.528 4.606 -0.599) 4.890 11.506 ( -2.850 7.252 1.473) 7.930 11.626 ( -9.386 6.123 5.099) 12.312 11.711 ( -0.675 9.146 2.295) 9.453 11.972 ( -1.682 0.027 1.597) 2.320 12.066 ( -4.437 3.240 4.287) 6.969 12.352 ( 1.037 0.686 -1.177) 1.712 12.434 ( -4.138 3.154 2.312) 5.693 12.517 ( -1.283 4.822 2.869) 5.756 12.654 ( -2.691 -2.633 -0.783) 3.845 12.800 ( 3.809 0.365 1.366) 4.063 12.944 ( -8.550 0.627 -4.093) 9.500 13.251 ( 3.980 -6.486 -2.839) 8.122 13.308 ( 10.052 -8.266 -1.590) 13.111 13.415 ( -0.904 -0.940 -5.581) 5.732 13.486 ( 2.612 -3.521 -2.524) 5.059 13.567 ( 1.174 -8.979 0.342) 9.062 13.779 ( 1.441 0.929 -1.072) 2.022 14.021 ( -5.122 -1.979 3.652) 6.595 14.066 ( -3.502 -6.626 -2.492) 7.898 14.409 ( 13.640 -9.811 13.759) 21.716 14.547 ( 1.832 -3.503 2.926) 4.917 14.751 ( 5.166 -4.626 0.876) 6.990 14.761 ( 2.305 -8.254 -3.135) 9.125 14.927 ( -2.943 -1.323 -2.472) 4.065 15.129 ( 0.407 -3.964 -3.322) 5.187 15.246 ( 6.260 1.125 -6.846) 9.345 15.375 ( 7.224 -9.478 -0.794) 11.944 15.696 ( 7.751 -7.524 0.791) 10.831 15.963 ( 5.477 -12.520 8.098) 15.885 16.065 ( 4.023 -2.088 -2.392) 5.126 16.540 ( 11.109 -18.024 -2.106) 21.277 17.072 ( 3.875 0.914 0.472) 4.010 17.292 ( -1.572 0.185 -0.522) 1.667 17.481 ( 2.353 7.444 -1.156) 7.893 17.866 ( -5.397 5.418 -3.309) 8.333 18.752 ( 1.061 -4.604 1.136) 4.859 18.913 ( -1.906 -1.364 -0.318) 2.365 21.207 ( -8.721 5.229 1.727) 10.314 22.584 ( -13.679 7.060 -30.825) 34.455 23.201 ( 16.990 -10.374 23.906) 31.109 24.055 ( 2.353 -5.549 0.059) 6.027 ======================= Grid point 114 (41/141) ======================= q-point: (-0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( -10.685 26.917 28.154) 40.389 1.302 ( -9.785 26.414 36.363) 45.997 1.915 ( -26.107 40.643 44.057) 65.379 2.341 ( -2.498 4.727 0.188) 5.350 2.753 ( -13.629 12.813 -0.798) 18.723 2.851 ( -13.648 13.213 4.750) 19.581 3.419 ( -3.482 16.404 -14.721) 22.314 3.817 ( -6.547 2.604 -10.283) 12.465 4.045 ( -24.186 -1.637 -10.406) 26.380 4.148 ( 3.856 9.080 7.519) 12.404 4.472 ( 0.703 2.544 11.490) 11.790 4.954 ( -6.073 5.535 -2.980) 8.741 5.132 ( -1.622 12.637 -5.447) 13.856 5.520 ( -5.217 4.930 -23.756) 24.816 5.824 ( 3.917 3.131 4.239) 6.566 5.958 ( -0.529 -4.214 -7.320) 8.463 6.190 ( -3.177 3.886 -14.866) 15.691 6.288 ( 4.955 -1.130 0.024) 5.082 6.687 ( 4.245 -0.993 6.689) 7.984 6.792 ( 2.955 3.396 0.014) 4.502 6.834 ( -0.397 1.207 6.133) 6.264 6.913 ( -1.145 8.131 3.067) 8.765 6.989 ( -3.908 -0.850 5.318) 6.654 7.232 ( 4.907 -8.809 10.671) 14.681 7.280 ( 2.335 4.059 2.616) 5.364 7.702 ( 5.401 6.285 -0.172) 8.289 7.935 ( -5.715 -6.801 6.054) 10.750 8.128 ( 3.164 -3.614 -3.149) 5.743 8.413 ( 9.507 -6.105 -4.915) 12.321 8.676 ( -1.098 -5.160 -3.624) 6.400 8.925 ( -3.731 0.309 4.243) 5.659 8.984 ( -4.440 0.631 5.729) 7.275 9.180 ( -2.356 1.634 -2.471) 3.785 9.294 ( 3.058 4.711 -5.675) 7.984 9.417 ( 10.894 -10.738 18.152) 23.738 9.674 ( 2.248 -1.738 -0.173) 2.847 9.778 ( -9.609 4.622 -0.576) 10.679 9.921 ( -0.872 3.351 3.773) 5.121 10.075 ( -2.681 -0.387 -2.161) 3.465 10.198 ( -7.608 1.273 3.707) 8.558 10.391 ( 6.938 0.287 -5.396) 8.794 10.489 ( 6.000 1.103 2.514) 6.598 10.504 ( 1.650 2.189 -12.991) 13.277 10.588 ( -2.435 -4.280 3.860) 6.257 10.783 ( 2.243 0.770 -0.549) 2.434 10.880 ( 5.112 3.863 5.374) 8.362 11.070 ( -0.033 0.839 2.495) 2.633 11.188 ( -2.254 -3.245 3.704) 5.416 11.356 ( -1.232 5.723 5.303) 7.898 11.395 ( 5.382 3.177 -0.059) 6.251 11.448 ( -9.257 2.404 5.719) 11.144 11.600 ( 2.284 6.592 0.501) 6.994 11.778 ( -3.350 11.424 0.345) 11.910 12.035 ( -13.545 0.216 -3.584) 14.012 12.347 ( -0.949 0.770 -0.247) 1.247 12.365 ( 0.118 0.469 -0.284) 0.561 12.459 ( 0.158 2.203 9.408) 9.664 12.662 ( -3.071 -1.897 -0.465) 3.640 12.791 ( -3.123 3.957 1.181) 5.178 12.881 ( -4.690 -1.995 -5.589) 7.564 13.292 ( 1.518 0.530 0.753) 1.775 13.357 ( -0.632 3.394 -6.888) 7.705 13.474 ( 3.612 -5.059 -3.292) 7.034 13.640 ( 1.499 -7.082 -0.925) 7.298 13.719 ( 5.605 -2.493 -2.417) 6.593 13.789 ( 3.551 1.287 -1.297) 3.994 13.967 ( -6.948 -2.639 6.993) 10.205 14.199 ( 3.088 -6.225 -3.975) 8.005 14.537 ( 0.629 1.117 3.371) 3.607 14.770 ( 10.909 -6.653 8.671) 15.442 14.817 ( 1.231 -2.323 -0.526) 2.681 14.882 ( -0.435 -3.751 1.316) 3.999 14.938 ( 0.793 -3.269 0.572) 3.412 15.216 ( 4.507 6.672 -5.509) 9.756 15.225 ( 3.094 -5.694 -2.556) 6.966 15.540 ( 4.246 -2.650 -2.323) 5.518 15.883 ( 10.027 -6.856 -2.160) 12.337 16.096 ( 3.625 0.716 -0.045) 3.696 16.235 ( 6.416 -10.424 13.877) 18.504 16.850 ( 5.447 -6.025 -3.757) 8.949 17.100 ( 3.855 -0.562 0.912) 4.001 17.328 ( -0.355 -5.581 -1.284) 5.738 17.430 ( 5.542 3.062 -0.970) 6.405 17.709 ( -6.505 5.629 -4.189) 9.568 18.815 ( -0.304 -2.243 1.022) 2.483 18.909 ( -1.500 -0.273 -0.342) 1.563 21.074 ( -9.820 -0.735 2.921) 10.272 22.048 ( -33.398 26.670 -42.977) 60.612 23.656 ( 23.257 -16.239 24.304) 37.353 24.155 ( 0.985 -3.878 -0.068) 4.002 ======================= Grid point 116 (42/141) ======================= q-point: ( 0.10 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( 26.089 -0.000 32.627) 41.775 1.497 ( 26.488 -0.000 39.324) 47.412 2.152 ( 34.485 -0.000 42.296) 54.573 2.642 ( 27.467 -0.000 -6.323) 28.185 2.792 ( 16.117 -0.000 9.404) 18.660 2.867 ( 23.983 -0.000 -0.527) 23.989 3.165 ( 3.239 -0.000 -7.886) 8.525 3.659 ( 1.407 -0.000 -14.403) 14.471 4.090 ( 25.652 -0.000 -5.636) 26.264 4.343 ( 11.873 -0.000 -0.764) 11.898 4.610 ( 6.162 -0.000 6.723) 9.120 4.834 ( -3.167 0.000 1.940) 3.714 4.883 ( 0.717 -0.000 -5.165) 5.214 5.201 ( 1.256 -0.000 -18.113) 18.157 5.790 ( -5.421 0.000 -8.739) 10.284 6.018 ( 9.439 -0.000 -7.584) 12.109 6.059 ( -1.743 0.000 -8.256) 8.438 6.294 ( -1.355 0.000 -6.710) 6.846 6.774 ( 3.540 -0.000 1.269) 3.761 6.811 ( -4.106 0.000 1.178) 4.271 6.957 ( 1.426 -0.000 5.168) 5.361 6.983 ( 9.075 -0.000 0.316) 9.081 7.000 ( 5.069 -0.000 6.568) 8.296 7.288 ( 5.747 -0.000 1.986) 6.080 7.462 ( -1.459 0.000 -2.294) 2.718 7.903 ( 0.119 -0.000 -3.874) 3.876 7.967 ( -0.190 0.000 5.115) 5.118 8.103 ( -7.283 0.000 8.453) 11.158 8.288 ( -31.625 0.000 16.147) 35.508 8.417 ( -13.205 0.000 -16.461) 21.103 8.721 ( 4.727 -0.000 3.970) 6.173 8.869 ( -2.746 0.000 0.279) 2.760 9.131 ( 5.165 -0.000 9.018) 10.392 9.270 ( -9.347 0.000 8.122) 12.383 9.399 ( 4.555 -0.000 1.538) 4.807 9.679 ( 3.121 -0.000 -1.354) 3.402 9.807 ( -5.503 0.000 1.128) 5.618 9.833 ( 9.105 -0.000 2.090) 9.342 10.144 ( 6.286 -0.000 -0.320) 6.294 10.162 ( 5.933 -0.000 -0.858) 5.995 10.275 ( -3.801 0.000 -2.752) 4.693 10.537 ( 0.084 -0.000 1.456) 1.458 10.541 ( 3.403 -0.000 -3.757) 5.069 10.811 ( -8.738 0.000 -1.989) 8.962 10.871 ( 4.019 -0.000 15.276) 15.796 10.900 ( 2.511 -0.000 -3.828) 4.578 11.005 ( 6.577 -0.000 11.022) 12.835 11.191 ( -1.774 0.000 -2.577) 3.129 11.249 ( -5.035 0.000 3.972) 6.413 11.459 ( 4.700 -0.000 -1.584) 4.960 11.519 ( 4.586 -0.000 4.068) 6.130 11.540 ( 6.686 -0.000 -0.534) 6.707 11.763 ( 11.294 -0.000 4.297) 12.083 12.040 ( 12.763 -0.000 -9.904) 16.155 12.323 ( -0.389 0.000 -6.487) 6.499 12.397 ( 4.127 -0.000 0.785) 4.201 12.518 ( -0.143 0.000 8.199) 8.201 12.668 ( 1.008 -0.000 6.666) 6.741 12.691 ( 3.721 -0.000 -0.065) 3.721 13.021 ( -2.661 0.000 -6.072) 6.630 13.306 ( -0.812 0.000 -0.577) 0.996 13.347 ( 3.176 -0.000 1.768) 3.635 13.554 ( -9.275 0.000 -3.179) 9.804 13.627 ( -4.399 0.000 -4.265) 6.128 13.713 ( 4.621 -0.000 -6.592) 8.050 13.872 ( -7.770 0.000 1.667) 7.946 13.875 ( 1.560 -0.000 -3.394) 3.736 14.070 ( -15.199 0.000 0.174) 15.200 14.612 ( -6.220 0.000 4.865) 7.897 14.799 ( -5.678 0.000 1.827) 5.965 14.819 ( -4.327 0.000 -0.982) 4.437 15.017 ( -0.556 0.000 1.005) 1.148 15.017 ( 1.275 -0.000 2.563) 2.862 15.103 ( 2.474 -0.000 -10.234) 10.529 15.409 ( -8.571 0.000 -7.455) 11.359 15.585 ( 4.238 -0.000 -8.751) 9.723 15.923 ( -7.733 0.000 -2.667) 8.180 16.261 ( -3.451 0.000 6.385) 7.258 16.561 ( -10.013 0.000 -10.381) 14.423 16.627 ( -39.006 0.000 29.890) 49.142 17.147 ( -1.158 0.000 1.909) 2.233 17.187 ( -10.035 0.000 -1.899) 10.214 17.329 ( 19.232 -0.000 -11.222) 22.266 17.628 ( 5.241 -0.000 1.422) 5.431 18.868 ( 2.513 -0.000 1.756) 3.066 18.889 ( 0.618 -0.000 -1.294) 1.434 21.156 ( 26.655 -0.000 -15.532) 30.850 21.350 ( 14.161 -0.000 3.837) 14.672 24.040 ( -10.878 0.000 -3.312) 11.371 24.071 ( -12.252 0.000 8.039) 14.654 ======================= Grid point 117 (43/141) ======================= q-point: ( 0.20 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( 28.302 -9.656 26.379) 39.876 1.967 ( 18.141 -19.119 36.057) 44.662 2.740 ( 30.455 -17.570 8.568) 36.189 2.911 ( 24.018 -3.957 -7.049) 25.342 3.042 ( 22.180 -6.562 7.185) 24.221 3.237 ( 29.286 -11.526 -3.711) 31.690 3.409 ( 14.252 -19.506 5.876) 24.862 3.675 ( 4.942 -2.126 -11.762) 12.933 4.324 ( 11.795 -1.841 2.672) 12.233 4.410 ( 22.863 5.158 -8.767) 25.023 4.758 ( 8.332 -7.979 7.565) 13.795 4.825 ( 2.722 -1.196 3.822) 4.843 5.042 ( -0.433 -15.032 -8.646) 17.346 5.309 ( 1.482 -10.218 -9.911) 14.312 5.743 ( -2.691 -1.618 -5.437) 6.279 6.031 ( -1.286 -0.618 -4.247) 4.480 6.131 ( 9.401 -4.622 -11.328) 15.429 6.245 ( -3.468 1.828 -3.116) 5.008 6.762 ( -5.007 0.644 -0.345) 5.060 6.829 ( 1.996 1.889 3.144) 4.176 6.946 ( 2.498 0.347 0.406) 2.555 7.087 ( 3.998 -2.900 6.238) 7.957 7.153 ( 7.405 -10.288 0.708) 12.695 7.330 ( 0.985 7.915 8.748) 11.838 7.401 ( 9.989 0.296 1.359) 10.085 7.798 ( -3.239 7.310 3.533) 8.741 7.814 ( -7.602 2.560 -3.116) 8.606 8.181 ( -11.978 -9.991 8.950) 17.983 8.202 ( -1.943 -1.804 -1.240) 2.927 8.360 ( -10.718 -10.097 -10.427) 18.043 8.753 ( 1.046 0.919 3.971) 4.208 8.780 ( 0.832 6.921 1.622) 7.157 9.199 ( -0.378 -2.177 6.027) 6.419 9.292 ( 3.927 -3.924 -0.554) 5.579 9.471 ( 4.102 -2.764 3.143) 5.861 9.667 ( 1.441 3.640 -0.091) 3.916 9.777 ( -3.269 -1.671 0.852) 3.769 9.968 ( 9.120 -3.538 1.458) 9.890 10.176 ( 6.756 1.399 -1.054) 6.979 10.277 ( 10.987 -0.833 0.093) 11.019 10.311 ( -4.073 -7.949 -4.916) 10.195 10.517 ( -4.214 1.750 2.510) 5.208 10.544 ( 3.991 -0.124 -0.736) 4.060 10.747 ( -0.857 -0.159 -4.582) 4.664 10.842 ( 1.600 5.842 1.659) 6.280 10.985 ( 2.745 -5.889 8.968) 11.075 11.123 ( -1.037 0.787 5.484) 5.636 11.195 ( 7.813 -6.484 2.647) 10.492 11.326 ( -0.215 -8.062 -2.074) 8.327 11.484 ( 6.985 1.210 -1.868) 7.331 11.615 ( 6.310 -4.806 3.640) 8.727 11.675 ( 8.782 -4.582 2.943) 10.333 11.912 ( 9.596 -4.097 3.963) 11.161 12.123 ( 5.394 0.843 -4.658) 7.176 12.340 ( 0.323 -3.623 -7.236) 8.099 12.444 ( 3.959 -0.428 -1.386) 4.216 12.518 ( -0.039 0.769 5.079) 5.137 12.674 ( 1.922 2.886 8.729) 9.392 12.711 ( 3.123 1.560 1.083) 3.655 12.984 ( -4.252 -2.014 -3.126) 5.649 13.258 ( -3.419 6.609 0.817) 7.486 13.308 ( -3.910 1.249 -4.424) 6.035 13.420 ( -4.170 5.877 -0.464) 7.221 13.595 ( -6.107 -1.523 -6.298) 8.904 13.706 ( -8.073 2.747 -1.692) 8.694 13.776 ( 1.652 1.897 -7.240) 7.665 13.887 ( 0.397 -1.881 -2.073) 2.828 13.908 ( -9.704 4.222 6.516) 12.428 14.503 ( -7.490 4.504 5.412) 10.279 14.692 ( -7.187 4.787 2.530) 8.998 14.729 ( -6.918 3.606 -2.045) 8.065 14.956 ( -2.630 5.443 2.291) 6.464 15.034 ( -2.268 -1.332 2.465) 3.605 15.101 ( -5.544 2.497 -8.496) 10.447 15.251 ( -2.659 4.485 -3.743) 6.418 15.546 ( -2.196 4.399 -7.948) 9.345 15.847 ( -9.988 0.321 -5.543) 11.428 16.133 ( -13.630 9.487 17.027) 23.784 16.161 ( -5.952 11.486 5.207) 13.945 16.536 ( -27.249 -1.019 0.134) 27.268 16.990 ( -2.614 2.964 -0.176) 3.956 17.214 ( -5.713 -3.305 0.978) 6.672 17.465 ( 14.497 1.187 -7.774) 16.492 17.766 ( 5.964 -7.943 -1.162) 10.000 18.851 ( 0.435 3.733 1.349) 3.993 18.911 ( 2.464 -0.284 -0.196) 2.488 21.364 ( 19.651 -1.913 -3.623) 20.073 21.631 ( 11.202 -10.923 -9.737) 18.428 23.761 ( -12.798 11.612 4.857) 17.951 24.017 ( -10.421 -1.118 1.824) 10.638 ======================= Grid point 118 (44/141) ======================= q-point: ( 0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( 28.163 -6.359 16.142) 33.079 2.541 ( 16.903 -21.050 27.897) 38.821 3.026 ( 20.806 2.555 -9.588) 23.051 3.343 ( 10.441 -17.520 7.499) 21.730 3.453 ( 18.016 -14.398 -9.523) 24.951 3.592 ( 8.275 -8.061 -13.331) 17.641 3.843 ( 25.726 -12.952 3.619) 29.029 4.105 ( 22.035 -26.850 8.202) 35.689 4.373 ( 7.334 -0.339 2.002) 7.610 4.672 ( 19.624 -7.334 -4.753) 21.482 4.891 ( 6.661 1.906 6.829) 9.728 5.029 ( 8.431 -10.773 1.089) 13.723 5.251 ( -1.147 -12.144 -1.968) 12.356 5.457 ( -2.972 -9.223 -6.999) 11.954 5.780 ( 0.003 -3.997 -0.638) 4.048 6.080 ( -0.517 -6.953 3.719) 7.903 6.165 ( 1.424 1.377 -2.112) 2.895 6.350 ( 6.900 -11.198 -11.385) 17.396 6.679 ( -8.141 7.294 0.678) 10.952 6.722 ( -1.063 2.550 -1.682) 3.235 6.997 ( 2.233 -0.939 0.159) 2.427 7.164 ( 2.047 -1.571 2.129) 3.345 7.269 ( 2.902 1.822 9.548) 10.145 7.412 ( 4.290 -8.403 5.846) 11.100 7.584 ( 17.411 -5.803 -1.475) 18.412 7.680 ( 1.738 2.860 -6.471) 7.286 7.784 ( -1.615 -3.566 0.609) 3.962 8.172 ( -8.046 -1.695 -4.618) 9.430 8.222 ( -1.549 -2.366 -7.188) 7.724 8.437 ( -8.167 -7.070 8.000) 13.442 8.657 ( -0.630 4.335 -0.725) 4.440 8.809 ( 0.715 -4.786 1.805) 5.165 9.237 ( -3.403 -4.149 1.482) 5.567 9.407 ( 3.788 -4.634 -2.268) 6.400 9.554 ( 3.024 -0.724 -0.639) 3.174 9.609 ( 0.293 2.975 3.804) 4.838 9.806 ( -0.754 -3.967 2.184) 4.590 10.084 ( 3.956 -0.757 2.069) 4.528 10.178 ( 1.401 4.367 -2.212) 5.092 10.348 ( 6.100 -0.156 2.192) 6.484 10.433 ( 2.420 -7.756 -3.567) 8.873 10.492 ( 7.055 1.268 -2.272) 7.520 10.691 ( 8.081 -7.551 0.630) 11.077 10.743 ( 3.048 3.544 -0.628) 4.716 10.792 ( 0.812 -3.542 -2.711) 4.534 11.079 ( 4.773 3.436 1.713) 6.126 11.169 ( 1.496 -7.859 5.914) 9.949 11.366 ( 3.982 -5.754 0.872) 7.052 11.466 ( 0.834 -5.826 -1.412) 6.053 11.573 ( 7.722 -3.949 -2.739) 9.095 11.784 ( 3.128 -5.842 4.148) 7.818 11.848 ( 7.022 -6.283 8.324) 12.573 12.041 ( 3.962 2.028 5.286) 6.910 12.140 ( 7.143 -2.842 -2.284) 8.020 12.354 ( -6.055 0.306 -2.086) 6.411 12.450 ( -1.941 0.200 -5.328) 5.674 12.540 ( 2.371 -0.796 1.924) 3.155 12.641 ( -0.891 1.676 4.319) 4.718 12.741 ( 3.266 -1.672 3.071) 4.784 12.973 ( -6.121 1.380 -2.427) 6.728 13.095 ( -1.658 11.164 -2.360) 11.531 13.105 ( -6.581 5.119 -2.336) 8.658 13.424 ( 2.406 -4.041 -3.361) 5.781 13.517 ( -7.099 0.226 -2.357) 7.484 13.613 ( -3.135 0.868 -4.494) 5.548 13.687 ( -7.382 1.038 -1.118) 7.538 13.798 ( 1.997 6.769 6.903) 9.872 13.952 ( 1.787 -2.433 -2.072) 3.661 14.376 ( -4.529 4.897 4.078) 7.818 14.532 ( -7.333 5.321 0.845) 9.099 14.577 ( -7.611 5.122 -2.152) 9.423 14.712 ( -10.164 13.449 2.527) 17.046 14.961 ( -4.048 3.991 -4.099) 7.008 15.043 ( -6.875 -2.109 0.114) 7.192 15.194 ( -0.529 3.150 0.354) 3.213 15.397 ( -2.482 8.011 -5.826) 10.212 15.655 ( -13.791 7.285 -5.416) 16.511 15.884 ( -8.950 14.468 3.422) 17.353 15.923 ( -4.874 7.546 9.752) 13.259 16.220 ( -19.009 9.748 -0.695) 21.374 16.998 ( -5.575 -6.811 2.053) 9.038 17.204 ( -4.778 -2.226 -1.297) 5.428 17.592 ( 13.117 -2.421 -3.540) 13.801 17.945 ( 5.934 -6.126 -1.694) 8.695 18.764 ( -0.696 6.702 1.022) 6.815 18.932 ( 2.217 0.532 0.147) 2.285 21.588 ( 13.986 -5.115 0.945) 14.922 21.822 ( 6.029 -4.421 -7.424) 10.536 23.471 ( -11.354 9.704 2.499) 15.144 23.923 ( -8.871 1.094 1.029) 8.997 ======================= Grid point 119 (45/141) ======================= q-point: ( 0.40 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.518 ( 26.222 2.779 2.566) 26.493 3.044 ( 11.204 -10.631 12.935) 20.146 3.177 ( 18.395 -6.640 2.433) 19.708 3.523 ( 3.182 0.859 -13.697) 14.087 3.743 ( 15.800 -8.812 9.824) 20.587 3.946 ( 9.066 -16.407 -5.535) 19.545 4.322 ( 19.195 -12.589 2.894) 23.137 4.419 ( 3.848 -5.777 0.451) 6.955 4.735 ( 15.091 -14.438 1.418) 20.933 4.844 ( 2.178 5.596 -1.276) 6.139 4.934 ( 3.708 -7.615 -2.038) 8.711 5.241 ( 6.395 -6.700 2.847) 9.689 5.456 ( -5.805 -3.289 3.239) 7.417 5.533 ( 5.250 -11.981 2.160) 13.258 5.863 ( -1.046 -5.239 2.205) 5.780 6.161 ( 2.416 0.809 1.885) 3.170 6.301 ( 2.553 -12.712 0.919) 12.999 6.443 ( -5.571 5.830 -4.007) 9.004 6.590 ( 4.877 -10.337 -7.777) 13.825 6.721 ( -1.255 -2.611 -1.418) 3.226 7.008 ( -1.686 -0.892 -2.363) 3.037 7.211 ( 6.201 1.267 0.985) 6.405 7.289 ( 1.234 0.975 3.722) 4.040 7.489 ( 5.128 5.213 3.092) 7.940 7.694 ( 2.165 -5.386 2.294) 6.242 7.765 ( 8.602 2.187 -3.815) 9.661 7.921 ( -5.265 -7.949 -5.790) 11.155 8.188 ( -3.740 -4.856 -5.245) 8.067 8.229 ( 9.531 -3.627 -6.385) 12.032 8.478 ( -5.347 -7.270 13.340) 16.106 8.625 ( 6.909 3.187 -3.104) 8.217 8.944 ( -6.649 -13.454 0.167) 15.008 9.268 ( -2.367 -1.958 1.539) 3.436 9.491 ( 2.437 2.458 -1.242) 3.677 9.513 ( 1.955 0.060 -1.330) 2.365 9.617 ( -1.404 -0.083 1.688) 2.197 9.905 ( -1.820 -8.319 3.684) 9.279 10.005 ( -2.653 6.391 -0.726) 6.958 10.180 ( 0.940 -2.364 0.350) 2.568 10.394 ( 3.234 1.122 1.936) 3.932 10.568 ( 3.538 -5.034 -3.705) 7.182 10.609 ( 9.964 -0.232 -0.651) 9.988 10.673 ( 4.956 4.134 -0.684) 6.490 10.812 ( 2.399 -4.980 -2.620) 6.117 11.040 ( 5.935 -1.204 -2.212) 6.447 11.084 ( 13.874 -6.869 1.687) 15.573 11.309 ( 0.654 -4.324 0.385) 4.390 11.452 ( -1.102 -2.195 -2.105) 3.235 11.536 ( 1.742 -2.651 4.262) 5.313 11.683 ( 1.206 -1.574 2.724) 3.369 11.756 ( -5.469 3.862 4.314) 7.965 12.011 ( 3.929 0.838 1.454) 4.272 12.085 ( 8.103 -3.639 1.184) 8.961 12.228 ( -6.061 3.540 2.236) 7.366 12.303 ( 6.206 -4.794 0.059) 7.843 12.417 ( -5.470 -2.385 -2.589) 6.505 12.532 ( -0.212 3.032 3.307) 4.491 12.646 ( -3.689 -1.743 0.353) 4.095 12.761 ( -5.370 6.298 -2.288) 8.587 12.851 ( 1.237 -4.866 1.377) 5.207 12.948 ( -5.112 5.028 -4.553) 8.494 13.032 ( 0.861 0.387 -1.956) 2.172 13.430 ( 0.404 1.913 -1.320) 2.359 13.538 ( 4.084 -0.840 0.270) 4.178 13.569 ( -4.380 2.776 -2.530) 5.770 13.705 ( 2.416 -7.134 -2.005) 7.794 13.762 ( 3.713 0.404 4.831) 6.106 13.976 ( -0.602 -1.794 -1.099) 2.188 14.199 ( -7.959 7.781 -0.306) 11.135 14.415 ( -6.418 6.569 2.011) 9.401 14.421 ( -6.318 5.091 1.183) 8.199 14.460 ( -6.856 2.025 0.494) 7.166 14.816 ( -3.836 6.350 -5.482) 9.225 14.983 ( -7.015 2.088 0.451) 7.333 15.135 ( -2.280 1.693 1.433) 3.181 15.245 ( 0.302 7.374 -0.828) 7.427 15.382 ( -11.773 7.088 -4.477) 14.453 15.557 ( -6.022 14.773 0.679) 15.968 15.798 ( -1.727 5.485 5.509) 7.963 15.863 ( -14.123 13.155 -0.695) 19.313 17.082 ( -7.041 -8.801 3.627) 11.840 17.206 ( -4.073 -3.986 -3.276) 6.573 17.791 ( 12.796 -6.572 -0.193) 14.387 18.067 ( 5.312 -2.037 -1.703) 5.939 18.619 ( -1.099 9.484 0.310) 9.552 18.932 ( 0.207 1.142 0.755) 1.385 21.767 ( 6.014 -2.779 -7.072) 9.690 21.927 ( 8.222 -3.010 8.043) 11.889 23.228 ( -9.390 7.301 -2.094) 12.077 23.828 ( -7.712 0.552 0.447) 7.745 ======================= Grid point 120 (46/141) ======================= q-point: ( 0.50 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.621 ( 20.360 10.646 -6.148) 23.784 3.131 ( 11.542 7.322 -2.302) 13.861 3.396 ( 2.623 5.301 -4.122) 7.210 3.714 ( 13.762 -18.048 15.345) 27.397 3.980 ( 13.078 0.381 8.179) 15.430 4.198 ( 6.340 -5.939 -3.447) 9.346 4.436 ( -6.935 -0.844 -2.565) 7.442 4.589 ( 2.948 0.095 -3.404) 4.505 4.758 ( -5.114 3.426 -5.031) 7.950 4.955 ( 4.631 -4.845 6.181) 9.117 5.020 ( 2.226 0.047 -2.505) 3.352 5.392 ( 1.123 -4.347 6.781) 8.132 5.442 ( -0.765 -1.555 -0.394) 1.777 5.810 ( 3.810 -11.028 4.147) 12.383 5.851 ( -6.685 5.497 9.448) 12.813 6.124 ( 1.524 -1.198 1.535) 2.472 6.445 ( 8.180 -0.312 -5.431) 9.823 6.520 ( -0.667 -10.657 -6.903) 12.715 6.733 ( -1.079 -3.625 3.921) 5.447 6.805 ( 3.270 -7.871 -0.661) 8.549 7.005 ( -2.111 -2.579 -7.053) 7.801 7.178 ( 0.512 7.212 2.928) 7.801 7.289 ( 5.682 4.809 -1.940) 7.692 7.425 ( 4.569 5.221 -0.007) 6.938 7.709 ( -1.672 5.332 -6.597) 8.646 7.801 ( 0.769 -3.155 0.387) 3.270 8.012 ( -2.337 -9.648 -4.535) 10.914 8.117 ( 1.341 6.607 -6.133) 9.114 8.329 ( -7.113 -1.398 4.930) 8.767 8.636 ( 1.417 -4.119 2.052) 4.815 8.778 ( 13.501 -11.352 0.750) 17.655 9.058 ( -9.458 -6.117 -1.766) 11.402 9.292 ( 2.905 -1.747 5.293) 6.286 9.406 ( 1.668 5.951 4.433) 7.606 9.562 ( 0.007 0.924 -4.301) 4.399 9.609 ( 1.550 -3.874 0.445) 4.196 9.889 ( -0.687 4.516 0.714) 4.623 10.059 ( -5.831 -12.256 -0.199) 13.573 10.226 ( -0.005 -0.987 -0.757) 1.244 10.388 ( 0.873 2.342 1.408) 2.868 10.557 ( -3.955 0.666 -0.570) 4.051 10.650 ( 6.399 5.018 -1.964) 8.366 10.705 ( 3.416 -0.511 1.782) 3.886 10.967 ( 10.879 -3.626 -3.049) 11.866 11.042 ( 5.693 2.848 -3.840) 7.434 11.224 ( -1.021 3.041 1.845) 3.701 11.355 ( -5.123 2.898 2.283) 6.314 11.427 ( -0.631 -0.185 0.024) 0.658 11.623 ( 8.413 -8.117 1.410) 11.775 11.716 ( 4.932 -0.236 6.392) 8.077 11.753 ( -3.536 -3.414 -0.827) 4.984 11.914 ( -2.578 5.365 0.179) 5.955 12.179 ( 0.199 -1.916 0.008) 1.926 12.230 ( 6.217 0.055 -1.044) 6.304 12.342 ( -8.977 5.095 0.497) 10.334 12.370 ( 0.572 0.138 -3.877) 3.921 12.500 ( 4.191 0.912 2.110) 4.780 12.600 ( -6.070 3.603 -0.077) 7.059 12.630 ( -3.745 1.384 1.363) 4.219 12.837 ( -0.688 2.999 0.797) 3.178 13.013 ( 0.039 -10.110 -6.033) 11.774 13.071 ( 5.293 -2.011 1.232) 5.795 13.444 ( 0.290 -1.915 0.390) 1.976 13.459 ( -3.823 2.017 1.500) 4.576 13.595 ( 7.424 1.823 0.205) 7.647 13.747 ( -4.461 2.400 -1.443) 5.267 13.790 ( -4.314 -0.385 0.309) 4.343 14.004 ( -1.445 0.068 -4.396) 4.628 14.145 ( 3.402 -3.532 4.420) 6.602 14.273 ( -5.734 2.076 -1.562) 6.295 14.348 ( -0.973 -4.380 1.771) 4.823 14.370 ( -6.219 0.864 1.896) 6.559 14.710 ( 0.113 3.032 -6.421) 7.102 14.891 ( -1.770 1.440 3.752) 4.391 15.039 ( -7.760 3.248 -2.861) 8.886 15.141 ( 0.279 6.169 -2.401) 6.626 15.285 ( 1.082 5.252 -0.769) 5.417 15.336 ( -4.070 -3.008 3.945) 6.416 15.535 ( -9.402 11.149 -1.922) 14.710 15.737 ( 0.735 1.550 3.454) 3.856 17.136 ( -3.745 -3.320 -0.096) 5.006 17.262 ( -5.884 -8.364 -0.772) 10.255 18.012 ( 8.797 -1.922 4.585) 10.105 18.131 ( 6.216 -3.678 -3.974) 8.244 18.434 ( -0.583 11.177 -0.803) 11.221 18.900 ( -2.936 1.194 1.547) 3.527 21.759 ( 0.648 4.349 -6.159) 7.567 22.143 ( 11.237 -7.871 13.658) 19.359 23.043 ( -6.574 4.573 -7.098) 10.701 23.767 ( -6.694 -1.825 -0.215) 6.941 ======================= Grid point 121 (47/141) ======================= q-point: (-0.40 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.557 ( 14.847 15.122 -8.400) 22.796 3.012 ( 5.778 17.369 0.920) 18.328 3.261 ( 7.586 15.112 0.781) 16.927 3.979 ( 4.485 9.913 4.238) 11.676 4.122 ( 0.660 -9.564 11.186) 14.732 4.262 ( 2.924 3.595 -5.215) 6.976 4.316 ( -9.057 0.702 -4.243) 10.026 4.453 ( -13.358 6.567 -5.005) 15.704 4.598 ( -6.358 3.113 2.644) 7.557 4.949 ( 0.058 8.391 2.000) 8.626 5.065 ( 1.256 1.056 3.660) 4.011 5.331 ( -6.167 7.808 -0.441) 9.960 5.508 ( 3.519 -3.961 2.349) 5.796 5.698 ( -2.027 6.299 7.848) 10.265 6.018 ( 1.504 -6.813 6.316) 9.411 6.155 ( 0.928 2.830 -0.506) 3.021 6.484 ( 3.861 0.862 1.500) 4.231 6.564 ( -2.221 0.952 -8.195) 8.544 6.817 ( 1.674 -5.289 5.115) 7.546 6.927 ( 1.833 2.403 1.033) 3.194 7.015 ( 1.417 5.758 3.951) 7.125 7.094 ( 1.097 -5.331 -8.724) 10.282 7.215 ( 4.823 7.398 -4.197) 9.778 7.397 ( -0.475 2.155 0.870) 2.372 7.617 ( -0.231 0.957 -7.791) 7.852 7.811 ( -3.511 1.587 -1.114) 4.011 7.920 ( -1.486 11.538 -6.448) 13.301 8.157 ( 2.599 -3.847 -3.456) 5.787 8.221 ( -8.490 3.203 1.277) 9.163 8.702 ( -1.143 -2.027 2.537) 3.443 8.936 ( -8.419 5.414 1.543) 10.128 9.056 ( 7.707 -6.081 1.113) 9.880 9.289 ( -1.211 -0.183 6.045) 6.168 9.446 ( 5.538 0.189 2.010) 5.895 9.534 ( -0.922 0.406 -3.334) 3.483 9.729 ( 2.381 -4.755 0.130) 5.319 9.842 ( 2.641 0.689 0.812) 2.848 10.123 ( -11.637 1.455 -3.487) 12.235 10.205 ( 0.268 -3.432 -1.131) 3.623 10.343 ( -1.148 2.778 0.938) 3.148 10.569 ( -1.020 -5.254 0.937) 5.433 10.637 ( 2.355 1.753 -2.146) 3.636 10.716 ( 4.691 3.566 2.677) 6.472 10.934 ( -2.578 10.207 -3.278) 11.026 11.049 ( 8.065 6.334 -5.438) 11.608 11.151 ( -5.751 1.270 4.336) 7.313 11.308 ( 3.531 2.238 0.540) 4.215 11.448 ( 4.562 -1.892 3.128) 5.846 11.613 ( -1.656 6.522 0.844) 6.782 11.769 ( -1.909 -0.768 1.371) 2.473 11.804 ( -6.605 2.909 -0.028) 7.217 11.942 ( 7.890 -6.100 0.661) 9.995 12.131 ( 3.523 11.087 2.358) 11.870 12.206 ( -2.217 0.534 -2.212) 3.177 12.271 ( -1.035 -4.254 0.582) 4.417 12.382 ( 2.435 1.097 -2.945) 3.975 12.465 ( -0.579 2.466 5.630) 6.174 12.542 ( -2.626 -2.410 0.424) 3.589 12.619 ( -3.273 -3.946 -3.081) 5.981 12.844 ( 1.038 -3.025 1.311) 3.457 13.124 ( 1.569 -3.085 -5.820) 6.771 13.150 ( 5.143 1.122 -2.988) 6.053 13.431 ( -2.605 3.747 4.442) 6.368 13.451 ( -3.090 -1.717 4.318) 5.580 13.532 ( -3.908 5.001 -0.861) 6.405 13.701 ( 0.515 -3.021 2.123) 3.728 13.810 ( -2.747 -6.866 -0.094) 7.395 13.922 ( -2.891 4.225 -3.135) 6.003 14.139 ( -3.357 4.863 -4.283) 7.299 14.224 ( 0.023 -3.328 2.806) 4.354 14.436 ( 2.707 -6.721 1.147) 7.336 14.537 ( 4.705 -9.543 -1.240) 10.712 14.710 ( -2.068 -5.798 -3.811) 7.240 14.883 ( -0.089 -0.716 2.588) 2.687 14.970 ( -0.177 4.112 -1.275) 4.309 15.102 ( 0.817 -8.203 1.624) 8.402 15.242 ( 3.558 -0.422 1.841) 4.028 15.329 ( -2.133 4.981 -4.211) 6.862 15.517 ( -0.600 -15.131 2.977) 15.432 15.788 ( 3.590 -4.841 -0.194) 6.030 17.140 ( -0.451 -0.313 -2.345) 2.408 17.334 ( -6.006 -6.191 0.420) 8.636 17.962 ( -0.291 9.219 3.692) 9.935 18.245 ( 2.370 11.038 -1.931) 11.453 18.352 ( 7.992 -9.610 -1.398) 12.577 18.852 ( -5.043 -0.251 1.653) 5.313 21.644 ( -0.789 7.968 -1.331) 8.117 22.427 ( 10.319 -10.035 13.916) 20.021 22.924 ( -2.786 2.215 -11.522) 12.059 23.764 ( -5.402 -4.898 -0.778) 7.333 ======================= Grid point 122 (48/141) ======================= q-point: (-0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.375 ( 8.844 19.122 -3.517) 21.360 2.689 ( 5.947 27.345 7.899) 29.078 3.032 ( 8.445 21.613 3.037) 23.402 3.724 ( -13.352 16.454 -0.465) 21.195 3.822 ( -22.866 17.157 4.111) 28.881 4.164 ( 1.604 11.415 -7.237) 13.611 4.236 ( -10.148 2.268 -6.223) 12.118 4.287 ( -5.845 6.091 -10.386) 13.384 4.612 ( -2.420 -2.922 10.734) 11.385 4.752 ( 3.877 16.278 7.800) 18.462 4.878 ( -11.916 15.044 4.086) 19.622 5.220 ( 3.958 4.859 3.445) 7.152 5.492 ( -1.087 7.725 2.704) 8.257 5.645 ( -0.542 -0.873 -0.008) 1.027 6.017 ( 4.823 7.148 -0.225) 8.625 6.107 ( -2.297 3.081 2.448) 4.557 6.450 ( -2.296 4.002 -4.676) 6.569 6.588 ( -0.863 -7.517 4.899) 9.014 6.710 ( -1.850 19.021 3.593) 19.445 6.904 ( -0.154 1.413 5.599) 5.777 6.958 ( 4.609 4.638 1.353) 6.677 7.087 ( -0.669 4.891 -6.951) 8.526 7.196 ( 2.830 -1.391 -0.303) 3.168 7.445 ( 6.822 0.043 -2.131) 7.147 7.621 ( -4.111 -3.746 -9.571) 11.070 7.647 ( -11.405 6.800 2.068) 13.439 7.756 ( 7.155 5.016 -5.483) 10.316 8.083 ( -10.162 5.496 -2.558) 11.833 8.207 ( 7.707 1.721 -2.418) 8.259 8.643 ( 0.137 5.090 -0.513) 5.117 8.838 ( -4.160 -1.999 5.544) 7.213 9.158 ( -2.767 -1.046 4.871) 5.699 9.343 ( 2.897 -2.200 -0.374) 3.657 9.453 ( -1.018 -0.241 -0.165) 1.059 9.504 ( 4.052 4.454 -3.191) 6.814 9.767 ( -9.536 -6.048 1.616) 11.407 9.903 ( 5.462 6.384 -2.163) 8.675 9.978 ( -1.790 -2.649 -0.748) 3.284 10.175 ( -1.868 5.823 -0.549) 6.140 10.359 ( -0.066 -4.080 0.319) 4.093 10.586 ( 0.117 5.694 -1.631) 5.925 10.625 ( -3.267 1.363 1.117) 3.712 10.697 ( 7.917 6.874 -1.990) 10.672 10.723 ( -1.862 6.010 -2.741) 6.863 10.967 ( -6.671 14.463 -9.829) 18.716 10.975 ( 1.646 4.293 0.021) 4.598 11.284 ( 1.777 4.535 9.619) 10.781 11.468 ( -0.483 8.872 2.338) 9.187 11.595 ( 1.147 -2.820 3.476) 4.621 11.672 ( -4.377 1.719 2.228) 5.204 11.709 ( -1.451 3.321 -0.887) 3.731 11.907 ( 1.898 9.556 2.858) 10.153 12.098 ( 3.070 8.441 3.528) 9.650 12.236 ( -3.491 -5.722 0.171) 6.705 12.294 ( 3.761 -1.209 -0.408) 3.971 12.363 ( 1.728 -1.593 2.540) 3.460 12.535 ( -5.100 -2.549 -2.141) 6.091 12.627 ( 1.444 -9.009 3.847) 9.902 12.674 ( -0.823 -7.401 -2.273) 7.786 12.884 ( 1.333 0.437 -1.246) 1.876 13.095 ( -3.700 3.924 -1.908) 5.721 13.205 ( 7.813 -3.212 -4.135) 9.405 13.325 ( -1.812 2.784 1.141) 3.513 13.400 ( -7.674 1.311 -3.773) 8.652 13.460 ( -0.574 -1.065 2.136) 2.455 13.821 ( -5.451 -0.281 4.303) 6.951 13.890 ( -2.379 -3.690 -1.231) 4.560 13.908 ( 7.226 -5.992 -0.173) 9.389 14.074 ( 4.709 -2.321 2.597) 5.857 14.324 ( -1.520 -8.668 -0.516) 8.816 14.548 ( -0.151 -6.405 -1.908) 6.684 14.716 ( -1.400 -6.816 -0.071) 6.959 14.753 ( 4.741 4.275 1.508) 6.560 14.937 ( 2.589 -12.917 -1.910) 13.312 15.014 ( -1.396 -4.916 0.862) 5.183 15.221 ( 1.722 -1.351 -6.193) 6.569 15.376 ( 4.169 -11.252 5.062) 13.024 15.425 ( 6.706 -12.459 3.189) 14.504 15.792 ( -3.676 -17.377 0.732) 17.776 15.966 ( 8.624 -10.717 -4.554) 14.490 17.137 ( 1.694 0.803 -2.111) 2.824 17.338 ( -4.327 -0.175 -0.560) 4.367 17.780 ( -3.033 10.081 4.753) 11.551 18.085 ( 1.205 9.276 -4.140) 10.230 18.565 ( 6.510 -6.732 0.427) 9.375 18.832 ( -4.399 -2.797 0.598) 5.247 21.484 ( -1.358 9.779 2.185) 10.112 22.638 ( -3.496 -4.674 -2.355) 6.294 22.930 ( 10.421 -3.943 0.707) 11.165 23.823 ( -3.762 -7.468 -1.178) 8.444 ======================= Grid point 123 (49/141) ======================= q-point: (-0.20 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( 3.361 23.584 13.715) 27.488 2.253 ( 7.566 35.069 11.810) 37.769 2.758 ( 8.600 19.651 4.290) 21.875 3.175 ( -23.666 23.678 4.669) 33.801 3.344 ( -16.180 18.765 -0.948) 24.795 3.847 ( 0.495 29.655 -3.378) 29.851 4.041 ( -3.831 13.266 -4.094) 14.402 4.074 ( -6.647 7.176 -13.797) 16.913 4.318 ( -14.055 24.695 -3.920) 28.683 4.514 ( 4.234 11.950 6.591) 14.289 4.650 ( -5.086 6.243 12.291) 14.694 5.215 ( 0.457 5.990 9.829) 11.519 5.356 ( 3.991 5.731 -5.948) 9.174 5.650 ( -2.049 -1.017 -5.478) 5.936 5.924 ( -2.220 5.812 -3.377) 7.078 6.051 ( 3.528 3.209 2.350) 5.317 6.347 ( -0.997 9.220 -0.934) 9.320 6.382 ( -1.457 12.296 4.383) 13.135 6.720 ( -1.960 -7.779 3.604) 8.794 6.800 ( -0.284 5.756 2.436) 6.257 6.938 ( 3.712 6.263 1.120) 7.366 7.049 ( 2.323 1.159 -0.007) 2.596 7.203 ( 1.699 3.740 -2.115) 4.620 7.322 ( -3.351 11.832 3.775) 12.864 7.451 ( -6.523 4.269 0.313) 7.802 7.684 ( 1.516 -5.577 -12.888) 14.125 7.848 ( -6.946 6.830 -1.169) 9.811 7.911 ( 10.799 -6.885 3.543) 13.288 8.270 ( 7.429 -1.121 -3.836) 8.435 8.616 ( 1.531 0.425 -2.513) 2.973 8.857 ( -3.679 -2.541 5.399) 7.010 9.085 ( -9.095 2.828 6.393) 11.471 9.337 ( 3.061 4.513 -4.633) 7.155 9.411 ( -0.671 3.592 -3.655) 5.168 9.508 ( 2.283 1.046 -0.553) 2.571 9.723 ( 0.108 2.529 -0.686) 2.623 9.910 ( 1.430 -4.969 1.675) 5.435 9.989 ( -8.125 4.149 0.546) 9.139 10.104 ( 2.901 0.113 1.401) 3.223 10.326 ( -3.869 8.278 -5.597) 10.716 10.484 ( 6.658 5.427 1.708) 8.758 10.514 ( -3.370 2.929 -2.299) 5.022 10.598 ( -4.650 12.294 -3.189) 13.526 10.650 ( 3.688 6.389 -6.905) 10.104 10.735 ( -0.240 -2.123 -1.913) 2.868 10.957 ( 2.069 1.504 -1.014) 2.751 11.209 ( 0.911 6.503 13.178) 14.723 11.297 ( -2.932 8.478 3.701) 9.705 11.524 ( 1.217 5.112 -1.475) 5.458 11.591 ( 0.525 5.717 1.926) 6.056 11.699 ( -6.496 11.274 3.584) 13.496 11.807 ( -0.146 -2.909 5.116) 5.887 12.030 ( 9.969 5.812 0.330) 11.544 12.141 ( -5.681 7.037 2.044) 9.272 12.356 ( 0.848 -1.122 -0.232) 1.426 12.414 ( -4.892 0.580 2.576) 5.559 12.540 ( -2.502 -2.059 -1.173) 3.447 12.614 ( -1.460 2.398 1.371) 3.124 12.800 ( -3.201 -1.930 -2.681) 4.600 12.974 ( 3.042 4.222 1.708) 5.477 13.032 ( 0.162 -14.816 1.231) 14.868 13.343 ( 5.107 -4.452 -10.006) 12.084 13.355 ( 3.557 -2.794 -2.074) 4.976 13.399 ( -2.564 -8.298 0.836) 8.725 13.466 ( 0.572 -0.593 1.821) 1.998 13.784 ( -4.092 0.456 2.229) 4.682 13.911 ( -1.012 -6.045 -1.837) 6.399 13.959 ( -2.615 -1.034 -1.867) 3.376 14.364 ( 10.701 -11.888 10.273) 19.010 14.453 ( -2.211 -9.284 0.336) 9.550 14.648 ( -0.093 -5.484 -0.026) 5.485 14.719 ( 1.870 -3.617 2.465) 4.759 14.841 ( -1.395 -4.293 0.680) 4.565 15.058 ( -1.735 -3.831 -0.860) 4.292 15.225 ( 4.989 -14.222 -2.637) 15.300 15.272 ( 3.802 -2.304 -8.721) 9.789 15.606 ( 4.202 -9.856 5.306) 11.956 15.748 ( 3.034 -17.081 7.847) 19.040 15.978 ( -3.804 -10.289 -5.194) 12.137 16.305 ( 7.831 -19.048 -4.087) 20.996 17.143 ( 3.119 0.737 -1.436) 3.512 17.271 ( -1.791 3.237 -2.221) 4.316 17.610 ( -3.862 7.098 5.593) 9.827 17.941 ( 0.370 7.944 -5.498) 9.668 18.698 ( 2.669 -4.014 1.513) 5.052 18.860 ( -1.537 -3.450 -0.835) 3.868 21.307 ( -0.824 10.492 4.610) 11.490 22.513 ( -13.137 4.880 -23.800) 27.619 23.216 ( 14.745 -10.232 17.035) 24.745 23.929 ( -2.273 -8.558 -1.583) 8.995 ======================= Grid point 124 (50/141) ======================= q-point: (-0.10 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( 0.942 34.686 20.627) 40.366 1.779 ( 6.043 25.606 31.621) 41.135 2.527 ( -1.753 28.666 20.321) 35.182 2.611 ( 9.642 21.999 0.087) 24.020 2.916 ( -4.421 17.366 -2.549) 18.101 3.197 ( -3.267 37.895 7.754) 38.818 3.704 ( -2.258 21.628 -13.330) 25.506 3.848 ( -3.448 10.432 -8.169) 13.691 3.964 ( -2.713 6.198 -9.347) 11.539 4.365 ( 1.919 10.814 3.351) 11.483 4.564 ( 2.324 3.738 12.739) 13.478 5.004 ( -7.062 10.173 -0.700) 12.403 5.320 ( 4.076 9.011 -6.830) 12.019 5.569 ( -2.514 6.891 -11.821) 13.912 5.849 ( -1.707 -0.772 -6.823) 7.075 5.983 ( 4.026 7.286 1.062) 8.392 6.229 ( -1.930 6.921 -7.833) 10.629 6.279 ( -0.271 -2.209 7.275) 7.608 6.750 ( 1.520 1.001 3.696) 4.120 6.825 ( 1.776 -2.900 3.388) 4.800 6.874 ( 0.233 2.413 3.828) 4.531 7.029 ( 5.173 6.276 -0.737) 8.166 7.074 ( -1.016 9.084 1.433) 9.252 7.187 ( 0.659 1.304 6.577) 6.738 7.361 ( -1.487 3.894 3.121) 5.207 7.721 ( -1.271 -1.626 3.212) 3.818 7.800 ( -1.101 -6.260 -12.772) 14.267 8.120 ( 6.854 -3.508 6.512) 10.084 8.388 ( 8.196 -5.524 -5.311) 11.221 8.619 ( -1.131 -1.010 -2.241) 2.706 8.841 ( -6.996 0.378 6.190) 9.349 8.943 ( -10.993 2.631 4.112) 12.028 9.259 ( 1.151 6.414 -3.988) 7.640 9.373 ( 4.940 1.813 -3.686) 6.425 9.456 ( -1.399 5.120 2.648) 5.932 9.712 ( -2.869 1.753 -2.522) 4.203 9.822 ( 1.362 5.654 1.141) 5.927 9.965 ( -2.251 4.650 4.805) 7.055 10.059 ( -0.450 -0.840 -2.370) 2.554 10.215 ( -2.039 6.433 1.069) 6.832 10.360 ( -2.384 -3.494 -9.502) 10.401 10.486 ( 3.139 1.963 -1.384) 3.952 10.553 ( 2.189 0.749 -0.374) 2.343 10.613 ( 6.492 1.891 -0.003) 6.762 10.782 ( 2.420 -2.647 -0.072) 3.587 10.952 ( 0.011 -0.367 -2.010) 2.043 11.139 ( -0.760 8.199 5.244) 9.762 11.174 ( 0.707 2.798 11.785) 12.133 11.426 ( -4.303 8.672 0.648) 9.703 11.498 ( 3.422 3.639 1.554) 5.232 11.535 ( 3.819 6.614 4.196) 8.714 11.743 ( -3.530 7.771 2.008) 8.768 11.958 ( -4.990 9.281 1.833) 10.695 12.014 ( 3.950 6.021 -5.274) 8.926 12.336 ( -2.662 0.436 5.146) 5.810 12.368 ( 1.381 0.348 -0.866) 1.667 12.509 ( -1.184 2.631 3.917) 4.865 12.607 ( -0.190 -1.850 -0.499) 1.925 12.768 ( -6.265 1.305 -2.492) 6.868 12.941 ( 7.053 2.504 3.746) 8.369 13.285 ( 0.107 -9.020 -2.742) 9.428 13.347 ( -4.760 -2.775 -2.270) 5.959 13.397 ( 1.083 -0.314 -5.070) 5.194 13.539 ( 5.455 -5.721 -3.021) 8.462 13.621 ( 3.206 -10.019 0.173) 10.521 13.777 ( -2.270 -4.007 0.197) 4.609 13.913 ( -3.609 1.703 3.337) 5.201 14.054 ( -1.448 -9.981 -0.854) 10.121 14.500 ( -3.913 -5.494 4.992) 8.392 14.679 ( -0.624 -10.171 1.054) 10.245 14.772 ( 5.876 -6.237 2.546) 8.940 14.843 ( 1.947 -3.879 5.114) 6.707 14.883 ( -0.041 -5.144 1.708) 5.421 15.130 ( 1.399 -6.048 -3.612) 7.183 15.292 ( 0.392 1.199 -6.807) 6.922 15.467 ( 3.200 -9.472 -2.603) 10.332 15.805 ( 3.167 -10.133 3.439) 11.160 16.032 ( -3.642 -10.474 4.609) 12.008 16.087 ( 0.887 -9.472 1.530) 9.636 16.672 ( 1.599 -18.682 -4.450) 19.272 17.169 ( 6.135 1.213 -2.789) 6.847 17.228 ( -0.301 -0.500 -2.883) 2.941 17.480 ( -7.953 3.369 5.895) 10.457 17.802 ( 1.495 8.704 -6.333) 10.868 18.773 ( 0.601 -3.119 1.710) 3.608 18.892 ( -0.240 -1.207 -1.313) 1.799 21.143 ( 1.516 10.153 6.202) 11.993 22.140 ( -16.753 17.192 -33.538) 41.243 23.579 ( 10.141 -14.676 19.745) 26.610 24.048 ( -1.235 -7.532 -1.873) 7.859 ======================= Grid point 127 (51/141) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( 27.678 -0.000 23.864) 36.546 2.055 ( 18.497 -0.000 39.600) 43.707 2.899 ( 26.527 -0.000 -10.290) 28.453 3.166 ( 28.500 -0.000 -15.480) 32.433 3.284 ( 28.020 -0.000 9.342) 29.536 3.360 ( 29.056 -0.000 0.419) 29.060 3.440 ( 25.276 -0.000 11.376) 27.718 3.716 ( 10.782 -0.000 -7.946) 13.394 4.452 ( 9.984 -0.000 10.375) 14.398 4.698 ( 18.500 -0.000 -9.520) 20.805 4.760 ( 7.234 -0.000 -1.674) 7.425 4.866 ( 14.310 -0.000 -2.211) 14.480 4.876 ( 0.779 -0.000 1.036) 1.296 5.248 ( 5.398 -0.000 -3.249) 6.300 5.689 ( -2.115 0.000 -5.040) 5.466 5.996 ( -1.160 0.000 -7.185) 7.278 6.171 ( 8.881 -0.000 -9.293) 12.854 6.223 ( -2.989 0.000 -6.754) 7.386 6.721 ( -5.407 0.000 0.957) 5.491 6.896 ( 7.607 -0.000 5.227) 9.229 6.974 ( -0.297 0.000 -3.117) 3.131 7.094 ( 2.779 -0.000 -0.189) 2.786 7.102 ( 1.547 -0.000 4.710) 4.958 7.487 ( 7.046 -0.000 -3.850) 8.029 7.492 ( 8.260 -0.000 10.983) 13.742 7.688 ( -12.220 0.000 18.095) 21.834 7.823 ( -13.684 0.000 0.970) 13.719 7.985 ( -2.784 0.000 -0.360) 2.807 8.110 ( -8.304 0.000 -13.676) 16.000 8.252 ( 5.639 -0.000 -0.031) 5.639 8.799 ( 1.993 -0.000 1.441) 2.459 8.847 ( 0.788 -0.000 0.020) 0.788 9.211 ( 1.621 -0.000 7.244) 7.423 9.353 ( 11.070 -0.000 1.321) 11.148 9.492 ( 2.275 -0.000 6.929) 7.293 9.669 ( -3.410 0.000 -0.080) 3.411 9.778 ( 3.125 -0.000 -0.511) 3.166 10.046 ( 10.712 -0.000 0.772) 10.740 10.110 ( -7.761 0.000 -3.887) 8.680 10.324 ( 11.595 -0.000 -0.902) 11.630 10.357 ( 11.210 -0.000 -0.666) 11.230 10.504 ( -6.772 0.000 4.138) 7.936 10.561 ( 1.835 -0.000 0.138) 1.841 10.756 ( 5.771 -0.000 -4.507) 7.323 10.926 ( -0.943 0.000 9.019) 9.068 10.928 ( -0.359 0.000 -1.106) 1.163 11.155 ( 4.770 -0.000 6.462) 8.032 11.245 ( 3.807 -0.000 -1.267) 4.013 11.248 ( 8.785 -0.000 -0.658) 8.810 11.552 ( 5.119 -0.000 -4.272) 6.667 11.649 ( 6.998 -0.000 2.161) 7.324 11.724 ( 8.691 -0.000 4.553) 9.811 11.984 ( 9.826 -0.000 5.887) 11.455 12.172 ( 4.400 -0.000 -5.880) 7.344 12.293 ( -0.364 0.000 -8.795) 8.803 12.452 ( -0.904 0.000 -3.742) 3.849 12.539 ( 1.398 -0.000 5.110) 5.298 12.750 ( 0.300 -0.000 2.284) 2.304 12.802 ( 10.960 -0.000 11.458) 15.855 12.889 ( -6.801 0.000 -1.815) 7.039 13.244 ( -7.629 0.000 -4.917) 9.076 13.319 ( -9.999 0.000 1.024) 10.051 13.384 ( -0.600 0.000 -0.648) 0.883 13.532 ( -2.834 0.000 -6.517) 7.106 13.617 ( -15.365 0.000 -1.247) 15.415 13.721 ( -12.831 0.000 -5.784) 14.074 13.870 ( 8.712 -0.000 -6.675) 10.975 13.937 ( -0.047 0.000 8.180) 8.180 14.449 ( -11.204 0.000 4.729) 12.161 14.659 ( -8.705 0.000 1.846) 8.899 14.689 ( -7.981 0.000 -2.628) 8.403 14.943 ( -6.665 0.000 0.969) 6.735 15.004 ( -0.724 0.000 -1.662) 1.813 15.108 ( -2.993 0.000 -4.590) 5.479 15.205 ( -10.606 0.000 -2.124) 10.817 15.522 ( -7.214 0.000 -7.916) 10.710 15.772 ( -4.569 0.000 -6.771) 8.168 16.110 ( -12.946 0.000 7.718) 15.072 16.111 ( -25.190 0.000 25.699) 35.986 16.254 ( -17.748 0.000 -12.232) 21.555 17.065 ( -1.373 0.000 -1.844) 2.299 17.113 ( -2.697 0.000 4.488) 5.236 17.616 ( 13.706 -0.000 -9.576) 16.720 17.729 ( 4.815 -0.000 1.539) 5.055 18.905 ( 1.429 -0.000 -1.720) 2.236 18.928 ( 2.940 -0.000 3.105) 4.276 21.543 ( 19.393 -0.000 -18.878) 27.064 21.669 ( 15.156 -0.000 8.137) 17.202 23.776 ( -14.188 0.000 -4.458) 14.872 23.839 ( -14.260 0.000 9.947) 17.387 ======================= Grid point 128 (52/141) ======================= q-point: ( 0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.375 ( 22.533 -9.858 30.600) 39.259 2.442 ( 21.540 -18.270 20.925) 35.151 3.174 ( 14.297 -12.598 -12.409) 22.740 3.310 ( 23.887 6.171 -15.759) 29.274 3.499 ( 19.862 0.587 4.236) 20.317 3.647 ( 19.531 2.273 -6.268) 20.637 3.901 ( 25.225 -12.829 8.432) 29.529 4.002 ( 29.819 -16.674 2.724) 34.273 4.507 ( 9.737 4.090 7.835) 13.150 4.740 ( 7.490 -0.968 -7.646) 10.747 4.932 ( 5.403 -7.028 -5.790) 10.588 5.013 ( 5.270 -10.855 9.965) 15.650 5.095 ( 19.628 -1.393 -3.921) 20.064 5.312 ( 1.319 -3.079 -2.004) 3.904 5.715 ( 1.344 -3.671 -1.735) 4.277 6.011 ( 1.761 -3.413 -1.834) 4.256 6.176 ( -1.210 0.379 -6.085) 6.215 6.267 ( 6.954 -4.255 -8.497) 11.775 6.647 ( -6.506 1.980 0.343) 6.809 6.847 ( -2.520 9.522 -0.517) 9.863 7.003 ( 3.650 -2.111 -1.074) 4.351 7.125 ( -1.294 -2.682 2.806) 4.092 7.241 ( 1.774 -10.871 4.561) 11.922 7.413 ( 1.549 4.365 13.474) 14.247 7.657 ( 1.426 -5.386 -0.380) 5.584 7.697 ( -5.062 -0.383 -2.175) 5.523 7.728 ( 12.324 0.130 1.745) 12.448 7.961 ( -8.542 -6.201 -7.463) 12.927 8.149 ( -0.508 -7.026 -1.479) 7.198 8.324 ( 4.277 -2.374 0.912) 4.976 8.737 ( 0.177 7.864 0.111) 7.867 8.866 ( 3.822 0.997 0.723) 4.015 9.180 ( -0.972 3.845 2.621) 4.754 9.435 ( 7.073 1.307 -0.541) 7.213 9.542 ( -1.053 -3.691 8.405) 9.240 9.651 ( 2.379 1.435 -1.298) 3.067 9.807 ( 3.606 -0.006 0.241) 3.614 10.121 ( 2.496 -2.636 -0.413) 3.654 10.204 ( -2.120 -11.448 -1.992) 11.812 10.332 ( 3.763 8.445 -0.767) 9.277 10.412 ( 4.058 1.643 2.537) 5.060 10.540 ( 8.065 -2.614 -1.248) 8.570 10.635 ( 6.655 -7.230 1.112) 9.889 10.806 ( 3.633 1.550 0.145) 3.952 10.868 ( 4.637 4.336 -2.453) 6.806 11.036 ( 1.757 -9.395 4.969) 10.773 11.178 ( 5.418 2.638 1.661) 6.251 11.356 ( 8.281 -1.748 0.585) 8.484 11.383 ( 5.162 -7.763 -0.992) 9.375 11.595 ( 4.500 -1.454 -5.131) 6.978 11.745 ( 4.957 -3.137 3.542) 6.853 11.824 ( 2.891 -3.498 7.886) 9.099 12.107 ( 9.475 -1.172 4.496) 10.553 12.189 ( 4.620 0.711 -3.862) 6.064 12.278 ( -4.531 -1.432 -7.564) 8.933 12.408 ( -5.645 0.561 -4.571) 7.286 12.562 ( 1.803 0.298 3.540) 3.984 12.693 ( -5.425 3.023 0.806) 6.262 12.802 ( 3.011 4.145 5.479) 7.501 12.957 ( 5.443 0.414 4.359) 6.985 13.112 ( -8.772 3.415 -3.026) 9.888 13.225 ( -4.401 4.796 -1.333) 6.644 13.321 ( -7.280 0.548 -4.429) 8.539 13.442 ( -7.598 -2.165 -0.459) 7.914 13.542 ( -4.832 -2.845 -4.916) 7.457 13.626 ( -4.901 -0.038 -2.010) 5.297 13.924 ( 1.830 3.790 7.650) 8.731 13.950 ( 4.626 -1.011 -4.832) 6.766 14.346 ( -10.628 0.428 3.217) 11.113 14.530 ( -7.770 4.335 -1.367) 9.002 14.590 ( -6.243 3.016 -0.207) 6.936 14.831 ( -11.141 9.824 3.864) 15.348 14.921 ( -8.476 3.091 -4.380) 10.029 14.994 ( -2.291 0.175 -1.866) 2.960 15.173 ( -6.808 -2.651 -0.993) 7.373 15.427 ( -7.197 0.695 -7.001) 10.064 15.641 ( -7.510 8.288 -7.242) 13.324 15.927 ( -14.974 1.357 15.701) 21.739 15.968 ( -13.126 5.951 6.632) 15.864 16.058 ( -20.505 -1.410 -5.402) 21.252 16.989 ( 1.712 4.923 -1.233) 5.356 17.126 ( -3.974 -1.543 2.435) 4.910 17.687 ( 10.761 0.695 -4.766) 11.790 17.875 ( 5.360 -7.945 -0.941) 9.630 18.869 ( 1.394 4.897 -0.139) 5.094 18.966 ( 2.730 0.282 1.549) 3.152 21.683 ( 15.588 -0.512 -10.908) 19.033 21.847 ( 11.059 -2.601 4.923) 12.381 23.517 ( -12.752 9.183 0.236) 15.716 23.788 ( -13.478 -3.984 3.246) 14.424 ======================= Grid point 129 (53/141) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.832 ( 24.987 -10.138 22.645) 35.212 2.962 ( 21.381 -11.465 12.378) 27.236 3.389 ( 18.451 5.172 -15.180) 24.446 3.520 ( 9.756 -12.694 -8.719) 18.230 3.662 ( 11.368 -5.631 -5.376) 13.779 3.826 ( 13.547 -7.162 9.284) 17.917 4.329 ( 17.713 -9.707 2.253) 20.324 4.442 ( 15.086 -3.826 2.285) 15.730 4.664 ( 13.254 -8.047 7.113) 17.059 4.868 ( 7.892 -5.176 -7.620) 12.130 4.999 ( 6.359 4.514 -7.323) 10.698 5.226 ( 4.771 -7.328 4.171) 9.687 5.313 ( 3.051 -15.101 -5.871) 16.487 5.372 ( 1.077 -0.248 9.099) 9.166 5.791 ( 1.783 -3.999 -2.186) 4.894 6.127 ( 4.771 -5.195 2.699) 7.552 6.242 ( 7.205 -5.999 -4.091) 10.230 6.374 ( -4.415 -2.227 -1.763) 5.250 6.540 ( -2.321 0.219 -4.434) 5.009 6.692 ( -1.285 2.763 -4.262) 5.239 7.013 ( -1.059 2.198 1.098) 2.676 7.206 ( 1.022 -7.015 1.626) 7.273 7.339 ( 1.530 1.563 7.121) 7.450 7.522 ( 1.811 -7.789 10.744) 13.393 7.684 ( 1.285 -2.278 -2.794) 3.827 7.718 ( -4.264 -4.395 -4.576) 7.645 7.846 ( 3.534 -1.607 -6.677) 7.724 8.058 ( 5.328 -6.751 -3.406) 9.250 8.297 ( 11.733 -3.775 -1.096) 12.374 8.397 ( 1.035 -2.383 5.966) 6.507 8.604 ( -2.720 1.649 -0.297) 3.195 8.882 ( 4.733 2.208 -0.241) 5.228 9.138 ( -5.228 -2.732 -1.980) 6.223 9.458 ( -0.770 -1.459 -0.134) 1.655 9.597 ( 0.364 -0.367 5.991) 6.014 9.650 ( 5.921 3.254 -1.636) 6.951 9.851 ( 3.793 -0.778 1.186) 4.049 10.129 ( -3.847 7.086 0.820) 8.105 10.172 ( 2.737 0.988 2.051) 3.560 10.420 ( -0.802 -10.798 -1.587) 10.944 10.471 ( 5.786 -0.410 0.422) 5.816 10.603 ( 0.408 -0.286 -2.267) 2.321 10.764 ( 0.980 -0.729 -0.065) 1.223 10.846 ( 9.445 0.249 -0.704) 9.475 10.999 ( 15.530 -9.421 -0.775) 18.180 11.199 ( 2.103 -1.803 -1.543) 3.171 11.230 ( 9.979 -3.604 2.794) 10.971 11.445 ( 5.665 -0.628 -0.731) 5.747 11.495 ( -2.359 -3.357 1.791) 4.477 11.671 ( 2.887 -1.841 -6.011) 6.918 11.778 ( -2.012 1.862 8.537) 8.967 11.977 ( 3.871 -8.570 6.854) 11.636 12.117 ( -4.380 3.310 -2.235) 5.927 12.215 ( 0.339 0.043 -0.489) 0.596 12.314 ( 6.044 -3.741 0.182) 7.111 12.333 ( -3.452 -0.287 -5.619) 6.601 12.567 ( -1.400 0.046 1.898) 2.359 12.597 ( -4.964 1.976 -0.564) 5.373 12.774 ( -0.963 2.387 3.233) 4.132 12.894 ( 0.108 7.247 -1.001) 7.317 12.957 ( -7.354 3.197 -0.771) 8.056 13.067 ( -2.177 4.565 -1.408) 5.250 13.427 ( 0.849 -9.040 -1.181) 9.156 13.446 ( -2.367 -2.309 -1.680) 3.709 13.543 ( -1.412 -2.856 -3.284) 4.575 13.641 ( 4.214 -2.738 0.104) 5.027 13.877 ( 3.208 5.369 6.807) 9.244 13.967 ( 0.956 0.694 -2.838) 3.074 14.199 ( -12.800 3.820 0.954) 13.392 14.418 ( -4.869 2.740 -1.122) 5.698 14.465 ( -6.379 7.175 0.348) 9.607 14.514 ( -7.895 9.696 1.903) 12.648 14.838 ( -5.647 1.425 -4.767) 7.526 14.925 ( -6.316 1.562 -0.470) 6.523 15.125 ( -7.152 0.120 0.112) 7.154 15.335 ( -6.386 3.078 -2.636) 7.563 15.382 ( -6.457 9.701 -5.086) 12.715 15.698 ( -11.646 9.859 0.566) 15.269 15.820 ( -11.429 1.502 12.654) 17.118 15.864 ( -13.409 4.522 -3.840) 14.663 16.953 ( -0.414 -0.192 0.047) 0.459 17.112 ( -4.251 -1.928 -0.099) 4.669 17.817 ( 10.962 -4.213 -2.059) 11.923 18.045 ( 4.252 -6.307 -0.657) 7.635 18.774 ( 1.580 8.087 0.025) 8.240 18.966 ( 0.899 2.215 1.139) 2.648 21.811 ( 11.068 -0.568 -9.045) 14.305 21.984 ( 8.701 -2.061 8.936) 12.641 23.260 ( -9.844 8.116 -1.754) 12.878 23.715 ( -12.645 -2.079 1.482) 12.900 ======================= Grid point 130 (54/141) ======================= q-point: ( 0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.097 ( 30.536 14.681 -3.736) 34.087 3.323 ( 12.810 -9.487 14.706) 21.687 3.443 ( 9.730 2.610 -6.274) 11.868 3.706 ( 17.088 -3.128 0.734) 17.388 3.988 ( 5.742 -14.452 4.339) 16.145 4.090 ( 3.640 -10.677 1.728) 11.412 4.484 ( 9.680 2.061 2.266) 10.153 4.604 ( 2.380 0.194 -1.998) 3.114 4.757 ( -5.298 4.215 -10.434) 12.438 4.919 ( 3.400 -1.121 3.457) 4.977 5.076 ( 11.772 -2.347 -1.376) 12.082 5.305 ( -7.742 -2.159 2.768) 8.501 5.431 ( 7.737 -4.066 6.378) 10.820 5.635 ( 2.297 -14.733 1.195) 14.959 5.849 ( -0.563 -0.854 -0.400) 1.098 6.170 ( -5.802 5.048 1.240) 7.790 6.306 ( 5.745 -10.079 -4.378) 12.400 6.475 ( 6.526 -6.589 0.581) 9.292 6.643 ( 3.004 -6.048 -5.999) 9.033 6.715 ( 1.223 -5.756 -0.147) 5.887 6.951 ( -4.267 1.095 -0.964) 4.509 7.294 ( -2.589 3.143 6.670) 7.815 7.363 ( 8.239 -3.025 -2.319) 9.077 7.575 ( 2.294 3.455 -0.580) 4.188 7.722 ( 1.681 0.522 1.138) 2.096 7.787 ( -5.643 -7.423 -1.020) 9.380 7.870 ( 4.260 0.081 -3.875) 5.760 8.141 ( 2.042 -1.156 -7.325) 7.692 8.285 ( -4.058 4.495 5.190) 7.976 8.552 ( 2.443 -7.319 4.589) 8.978 8.796 ( 11.065 -14.263 1.072) 18.084 8.865 ( 2.520 3.645 -4.977) 6.664 9.169 ( -5.627 -9.376 -0.739) 10.960 9.494 ( -1.208 -2.581 5.155) 5.890 9.586 ( 3.042 2.919 0.243) 4.222 9.627 ( 3.997 4.555 -2.355) 6.502 9.915 ( 2.566 -3.250 1.466) 4.393 9.990 ( -0.512 6.563 1.452) 6.741 10.204 ( 1.351 -1.519 1.495) 2.524 10.448 ( -2.824 3.256 0.649) 4.359 10.556 ( -7.049 -1.322 -2.242) 7.515 10.603 ( 3.598 -4.490 1.347) 5.909 10.778 ( 4.417 2.440 -1.671) 5.316 10.944 ( 6.826 -2.875 -1.388) 7.535 11.206 ( -3.061 -0.606 -0.980) 3.271 11.279 ( 15.084 -1.052 -1.704) 15.217 11.367 ( 1.139 2.865 -0.271) 3.095 11.445 ( 5.851 -0.098 1.222) 5.978 11.541 ( 0.161 -6.968 0.351) 6.979 11.656 ( -3.395 -0.689 -1.959) 3.980 11.772 ( 3.346 0.140 7.045) 7.801 11.966 ( -5.410 5.221 0.975) 7.582 12.150 ( -0.713 -3.348 3.255) 4.724 12.240 ( -3.086 -4.647 -2.795) 6.240 12.308 ( 3.446 -0.254 -3.837) 5.164 12.397 ( 1.718 3.790 -1.233) 4.340 12.506 ( -6.017 -0.298 -1.748) 6.273 12.588 ( 1.235 0.040 5.994) 6.120 12.725 ( 1.277 4.522 -1.692) 4.994 12.816 ( -2.532 -3.591 -1.990) 4.823 12.898 ( 1.982 0.646 -2.976) 3.634 13.067 ( 2.642 -3.259 3.940) 5.756 13.425 ( -1.994 0.306 -4.811) 5.217 13.486 ( -1.278 0.899 6.570) 6.753 13.596 ( -4.543 -2.938 0.944) 5.492 13.725 ( 1.451 -0.339 -4.604) 4.839 13.846 ( 3.918 5.915 1.748) 7.307 13.985 ( 2.201 -2.142 -1.449) 3.396 14.108 ( -0.432 -5.279 3.312) 6.247 14.227 ( -9.519 5.544 1.924) 11.183 14.322 ( -3.215 1.637 -0.029) 3.608 14.376 ( -4.104 6.657 -2.223) 8.130 14.741 ( -2.152 2.979 -6.472) 7.442 14.850 ( -9.691 -0.154 -0.186) 9.694 15.028 ( -5.804 2.874 0.784) 6.524 15.199 ( -4.599 0.093 -1.025) 4.713 15.253 ( -0.976 4.888 1.838) 5.312 15.450 ( -4.893 9.472 -3.382) 11.185 15.596 ( -12.954 8.184 1.394) 15.387 15.753 ( -3.963 1.553 2.776) 5.082 16.982 ( -4.076 -5.248 2.007) 6.941 17.124 ( -3.131 -4.273 -2.712) 5.951 18.019 ( 10.149 -7.150 0.722) 12.436 18.152 ( 3.445 -2.018 -0.950) 4.104 18.634 ( 2.563 10.758 -0.123) 11.060 18.910 ( -2.795 3.593 1.228) 4.715 21.856 ( 6.782 3.884 -5.638) 9.636 22.149 ( 8.511 -5.769 11.252) 15.242 23.058 ( -5.839 6.023 -5.134) 9.835 23.635 ( -11.834 -2.767 0.064) 12.153 ======================= Grid point 131 (55/141) ======================= q-point: (-0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.032 ( 21.716 19.715 -9.201) 30.740 3.378 ( 12.874 13.191 1.452) 18.489 3.552 ( 13.731 3.973 6.795) 15.827 3.993 ( 9.202 -10.246 7.865) 15.859 4.094 ( -5.668 3.080 -1.390) 6.599 4.210 ( -5.025 -3.726 -3.994) 7.422 4.446 ( -7.499 11.698 -0.844) 13.921 4.489 ( 3.755 12.493 -5.578) 14.187 4.600 ( -1.661 -1.998 2.617) 3.688 4.985 ( 0.879 -2.776 2.397) 3.772 5.133 ( 1.074 3.715 2.245) 4.471 5.379 ( 1.908 -0.632 -2.460) 3.177 5.452 ( -1.887 -0.421 5.871) 6.181 5.773 ( -3.720 4.240 1.895) 5.951 5.837 ( -3.421 -11.629 6.658) 13.830 6.201 ( 6.132 -2.785 -0.803) 6.783 6.510 ( 1.827 -7.077 -5.409) 9.093 6.569 ( 4.669 2.146 1.267) 5.293 6.721 ( -2.353 -4.339 3.749) 6.198 6.857 ( 0.318 -8.179 -0.148) 8.187 6.980 ( 4.562 -8.177 -8.277) 12.497 7.188 ( -1.022 7.593 4.809) 9.045 7.384 ( 3.664 6.719 -6.572) 10.088 7.539 ( 6.890 8.290 1.929) 10.951 7.666 ( 2.782 7.916 0.512) 8.406 7.784 ( -4.586 -2.970 -2.055) 5.837 7.975 ( 2.739 -5.545 -6.109) 8.693 8.121 ( -5.525 6.727 0.402) 8.715 8.196 ( -2.627 -2.825 -0.175) 3.861 8.663 ( -0.019 -3.058 3.651) 4.763 8.823 ( -6.454 -3.140 -4.521) 8.482 9.023 ( 2.043 -6.668 1.962) 7.245 9.346 ( 1.532 -0.812 4.741) 5.048 9.444 ( 0.868 1.703 3.102) 3.643 9.573 ( 4.360 2.577 -2.365) 5.590 9.676 ( 2.424 -3.727 0.117) 4.447 9.917 ( 5.525 2.373 0.945) 6.087 10.025 ( 2.837 -5.576 -1.734) 6.493 10.193 ( -3.091 3.447 -1.415) 4.841 10.365 ( -5.349 1.412 2.388) 6.025 10.466 ( -7.744 -1.898 -1.760) 8.165 10.667 ( 0.674 0.561 0.026) 0.878 10.793 ( 4.668 2.004 1.305) 5.245 11.003 ( 2.260 0.741 -3.113) 3.918 11.141 ( -5.031 5.218 2.726) 7.744 11.309 ( 2.934 -0.991 1.299) 3.359 11.333 ( 8.834 5.115 0.068) 10.208 11.533 ( 11.356 0.471 1.022) 11.411 11.619 ( -7.178 0.932 -3.417) 8.004 11.723 ( 1.841 -4.683 0.303) 5.041 11.782 ( -2.986 1.209 0.031) 3.222 11.903 ( 1.856 -3.664 -1.171) 4.271 12.138 ( -6.081 -0.597 -0.362) 6.121 12.253 ( -0.059 -1.376 0.793) 1.589 12.280 ( -2.649 4.155 3.771) 6.205 12.394 ( 3.086 -1.029 -4.634) 5.662 12.476 ( -1.961 -0.886 -2.837) 3.561 12.574 ( 1.502 3.459 5.197) 6.420 12.618 ( 1.904 8.717 1.870) 9.116 12.853 ( 1.529 0.047 0.111) 1.534 13.012 ( 3.792 -7.950 -7.028) 11.269 13.182 ( 2.202 -3.641 4.549) 6.228 13.377 ( -3.238 0.620 -0.685) 3.367 13.488 ( 0.824 -1.295 4.191) 4.463 13.555 ( -9.385 0.056 2.806) 9.796 13.693 ( -3.565 2.733 1.493) 4.734 13.746 ( 6.357 4.526 -2.751) 8.274 13.974 ( -0.382 3.636 -2.313) 4.326 14.137 ( -2.949 0.508 -1.656) 3.420 14.206 ( -4.875 3.094 1.945) 6.093 14.327 ( 1.551 -11.279 2.278) 11.611 14.394 ( 3.953 -7.602 0.073) 8.569 14.633 ( -6.964 1.871 -9.732) 12.112 14.804 ( -2.324 -4.447 -0.797) 5.080 15.003 ( 1.936 -1.924 3.974) 4.821 15.139 ( -0.351 7.265 -0.314) 7.281 15.265 ( -5.025 -7.583 1.877) 9.288 15.302 ( 0.575 1.608 -0.710) 1.850 15.378 ( -5.506 6.094 -1.465) 8.343 15.734 ( -1.197 -2.753 -0.380) 3.026 17.038 ( -5.734 -6.093 2.488) 8.729 17.186 ( -1.109 -6.100 -4.137) 7.454 18.117 ( 1.364 5.629 3.755) 6.902 18.270 ( 6.972 -7.550 -3.257) 10.780 18.481 ( 6.032 10.913 0.330) 12.474 18.809 ( -6.810 2.488 1.555) 7.415 21.801 ( 4.482 8.253 -0.239) 9.394 22.362 ( 4.389 -8.872 9.510) 13.726 22.940 ( 0.805 3.225 -7.124) 7.861 23.595 ( -9.996 -5.566 -1.493) 11.539 ======================= Grid point 132 (56/141) ======================= q-point: (-0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.845 ( 15.373 22.057 -5.279) 27.399 3.236 ( 15.874 20.939 7.072) 27.211 3.488 ( 7.633 19.250 5.787) 21.502 3.819 ( -15.163 11.423 -6.967) 20.222 3.933 ( -13.742 18.818 0.442) 23.305 4.128 ( -10.662 -0.099 -9.287) 14.140 4.272 ( -2.043 -2.230 -0.929) 3.164 4.408 ( 9.284 11.337 -7.490) 16.457 4.613 ( 2.626 0.519 10.424) 10.762 4.955 ( -7.998 8.488 9.933) 15.319 5.063 ( 5.941 7.247 4.974) 10.609 5.277 ( 0.998 2.490 -2.681) 3.793 5.526 ( -2.258 -2.049 0.079) 3.050 5.664 ( -3.518 4.846 2.816) 6.618 6.014 ( -3.207 -10.196 6.873) 12.708 6.227 ( 5.235 7.769 -2.237) 9.632 6.489 ( -5.195 0.331 -0.449) 5.225 6.555 ( 4.295 4.662 1.638) 6.547 6.803 ( -2.935 -3.402 3.356) 5.608 6.988 ( 0.859 -3.387 2.300) 4.183 7.044 ( 0.532 5.756 2.380) 6.251 7.149 ( 6.545 2.389 -9.026) 11.402 7.295 ( 5.290 6.064 -3.936) 8.958 7.446 ( 2.350 0.453 2.515) 3.472 7.570 ( -2.271 4.482 -0.969) 5.117 7.730 ( -0.912 8.352 -0.994) 8.460 7.935 ( 3.324 7.762 -7.112) 11.039 8.016 ( -6.715 -1.129 -3.473) 7.644 8.275 ( 5.908 -2.816 0.742) 6.587 8.669 ( -3.037 0.899 -1.126) 3.362 8.807 ( -4.192 -0.974 1.815) 4.670 9.106 ( -4.573 -0.446 6.341) 7.831 9.290 ( 0.238 -3.804 2.159) 4.380 9.452 ( 1.175 2.770 -4.586) 5.485 9.591 ( -2.981 -2.234 1.968) 4.213 9.661 ( 1.620 4.595 1.512) 5.102 9.976 ( -3.448 6.154 -4.247) 8.234 10.034 ( 11.579 -0.518 -1.357) 11.669 10.232 ( -0.826 0.091 -1.065) 1.351 10.257 ( -4.928 -4.432 0.044) 6.629 10.527 ( -2.840 -6.445 -0.171) 7.045 10.621 ( -0.797 2.907 -0.318) 3.031 10.792 ( 5.161 3.521 -0.757) 6.293 10.953 ( 1.092 6.878 -3.293) 7.704 11.010 ( -4.977 5.545 3.210) 8.113 11.260 ( 8.638 16.258 -5.148) 19.117 11.350 ( -1.186 2.565 3.525) 4.518 11.493 ( 0.547 -4.373 3.777) 5.804 11.648 ( -6.750 3.055 -0.356) 7.417 11.701 ( 7.029 2.684 3.864) 8.458 11.769 ( 2.971 4.778 2.479) 6.148 11.980 ( -0.572 -4.538 -3.537) 5.782 12.094 ( -5.919 -1.522 -3.246) 6.920 12.203 ( -7.257 -0.730 1.532) 7.452 12.313 ( 7.102 -0.212 0.809) 7.151 12.410 ( 1.076 1.161 0.978) 1.861 12.473 ( 1.409 -0.011 1.106) 1.791 12.544 ( 1.059 -0.195 5.833) 5.931 12.578 ( 1.600 -1.431 1.028) 2.380 12.872 ( 0.397 -0.772 -2.623) 2.763 13.075 ( -3.854 -0.085 -0.502) 3.887 13.223 ( 0.305 -3.751 -4.009) 5.498 13.335 ( -4.940 0.617 -0.765) 5.036 13.397 ( -2.103 5.889 -5.242) 8.160 13.510 ( 2.569 7.091 6.295) 9.824 13.743 ( -1.394 -7.415 10.738) 13.124 13.808 ( 3.186 -2.585 -1.936) 4.537 13.936 ( 6.682 -0.184 -3.039) 7.343 14.078 ( -2.886 0.793 -1.312) 3.268 14.180 ( -4.167 -4.501 0.728) 6.176 14.436 ( -2.009 -3.773 -2.881) 5.155 14.558 ( -3.198 -11.691 1.347) 12.195 14.710 ( 6.600 -10.170 -4.900) 13.076 14.878 ( -1.087 -3.968 -2.808) 4.982 14.985 ( -0.144 7.542 2.409) 7.919 15.137 ( 0.823 -7.889 2.684) 8.373 15.285 ( 2.233 -2.344 2.136) 3.879 15.349 ( 2.903 -5.161 -0.359) 5.932 15.447 ( -6.492 -15.705 -0.620) 17.006 15.835 ( 1.624 -9.417 -4.050) 10.379 17.080 ( -4.789 -4.518 2.135) 6.921 17.275 ( 1.228 -4.740 -4.846) 6.889 17.964 ( -0.947 12.227 4.104) 12.933 18.263 ( 0.820 9.545 -3.757) 10.291 18.543 ( 10.405 -4.946 1.041) 11.567 18.730 ( -7.941 -1.922 1.542) 8.314 21.677 ( 3.284 10.977 4.186) 12.198 22.493 ( -7.486 -5.657 -2.611) 9.740 22.980 ( 10.933 -2.728 1.433) 11.358 23.631 ( -6.287 -8.582 -3.010) 11.056 ======================= Grid point 133 (57/141) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.585 ( 12.341 24.482 7.157) 28.336 2.902 ( -3.419 32.175 6.303) 32.964 3.182 ( 7.664 18.384 8.979) 21.848 3.432 ( -13.250 22.538 2.219) 26.238 3.512 ( 1.743 17.264 -6.237) 18.439 3.989 ( -10.163 4.145 -17.122) 20.338 4.171 ( -1.146 8.254 -8.848) 12.155 4.275 ( 7.784 12.118 -7.099) 16.058 4.623 ( -2.732 15.052 10.774) 18.711 4.674 ( -6.363 4.809 11.064) 13.639 4.915 ( 8.715 20.939 7.718) 23.957 5.325 ( 4.090 0.470 2.612) 4.875 5.439 ( -3.259 4.336 1.282) 5.573 5.598 ( -2.978 0.050 -4.460) 5.363 6.049 ( -0.098 8.468 0.307) 8.474 6.116 ( -0.236 1.885 3.310) 3.816 6.444 ( 0.834 3.074 -0.002) 3.185 6.573 ( -0.555 -3.787 3.930) 5.486 6.663 ( -3.823 15.083 4.814) 16.287 6.896 ( -2.374 7.169 -1.313) 7.665 7.044 ( -0.053 -0.474 -1.849) 1.909 7.107 ( 7.335 6.508 2.916) 10.230 7.290 ( 5.594 1.080 2.423) 6.191 7.407 ( -8.930 1.641 -0.569) 9.097 7.538 ( -2.950 10.446 -6.541) 12.673 7.612 ( 7.837 -1.161 -4.188) 8.962 7.918 ( 9.188 -2.330 -3.655) 10.159 7.929 ( -1.867 5.946 -3.241) 7.024 8.327 ( 2.306 1.634 2.897) 4.047 8.618 ( -1.151 0.148 -5.484) 5.606 8.823 ( 2.080 -1.296 3.813) 4.533 9.017 ( -11.847 1.354 6.338) 13.504 9.376 ( -2.816 -1.603 -4.155) 5.269 9.432 ( 5.420 1.069 -3.111) 6.340 9.612 ( 2.210 2.398 1.419) 3.557 9.624 ( -0.877 -4.480 3.280) 5.621 9.886 ( -0.703 0.199 -3.540) 3.614 10.003 ( -4.343 6.596 -0.293) 7.903 10.207 ( 5.408 1.872 -1.439) 5.901 10.329 ( -1.136 -0.571 -2.532) 2.834 10.505 ( -4.181 1.302 -3.583) 5.658 10.619 ( 0.539 1.130 1.483) 1.941 10.756 ( 3.194 6.293 -1.739) 7.268 10.781 ( -1.870 10.628 -2.948) 11.186 10.863 ( 1.474 9.630 -2.394) 10.032 11.032 ( 3.345 10.626 -4.010) 11.840 11.314 ( -0.594 3.970 10.179) 10.942 11.468 ( -0.045 10.861 4.694) 11.832 11.613 ( 0.900 3.182 0.547) 3.352 11.647 ( 0.580 -1.623 4.707) 5.013 11.761 ( 3.193 -1.770 5.112) 6.281 11.890 ( -2.950 14.503 0.151) 14.801 12.084 ( -4.502 -3.869 -3.031) 6.665 12.201 ( -2.488 1.424 0.243) 2.878 12.354 ( 3.236 1.701 0.620) 3.708 12.433 ( 5.942 -0.566 0.912) 6.038 12.488 ( -2.335 -2.135 1.605) 3.547 12.611 ( -0.209 -1.647 2.292) 2.830 12.671 ( 0.076 -8.848 2.264) 9.134 12.862 ( -1.696 -2.182 -1.567) 3.177 13.072 ( 1.303 -0.492 -1.103) 1.777 13.257 ( -7.482 -1.001 -2.207) 7.865 13.290 ( 0.585 -3.171 -2.788) 4.263 13.361 ( 8.529 -1.000 -5.498) 10.197 13.473 ( 0.380 0.713 6.029) 6.083 13.716 ( -6.020 0.133 3.258) 6.846 13.840 ( -1.968 -0.845 -2.919) 3.620 13.996 ( 4.429 2.484 -3.367) 6.093 14.241 ( -4.323 -10.206 1.313) 11.161 14.257 ( 6.064 -11.759 5.318) 14.259 14.540 ( 2.194 -8.711 1.196) 9.062 14.650 ( -4.910 -4.145 -0.042) 6.426 14.833 ( 1.261 2.938 0.934) 3.330 14.950 ( -2.843 -6.165 -0.825) 6.839 15.018 ( 4.387 -13.383 -1.699) 14.186 15.228 ( 0.975 -4.144 -4.744) 6.374 15.474 ( 2.369 -10.485 5.679) 12.157 15.516 ( -0.636 -13.393 5.082) 14.339 15.663 ( -5.580 -17.008 -5.537) 18.737 16.052 ( 0.753 -15.390 -5.255) 16.280 17.113 ( -1.959 -3.249 1.580) 4.110 17.334 ( 4.520 0.171 -5.646) 7.235 17.739 ( -3.346 12.615 5.954) 14.345 18.091 ( 0.304 9.743 -4.524) 10.747 18.673 ( 1.254 -2.204 2.022) 3.243 18.760 ( -0.258 -6.594 -0.350) 6.608 21.525 ( 3.716 11.915 7.368) 14.493 22.402 ( -13.514 1.273 -16.547) 21.402 23.204 ( 10.091 -8.433 11.346) 17.369 23.744 ( -1.754 -9.845 -4.015) 10.776 ======================= Grid point 134 (58/141) ======================= q-point: (-0.10 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.240 ( -7.241 30.559 10.355) 33.068 2.344 ( 9.467 26.197 23.330) 36.335 2.944 ( -4.814 18.102 12.376) 22.450 3.072 ( 19.489 20.020 -2.748) 28.075 3.253 ( 12.658 18.981 -2.717) 22.975 3.723 ( -4.944 16.366 -16.246) 23.585 3.988 ( 0.805 13.694 -7.787) 15.774 4.077 ( -2.127 19.563 -4.209) 20.124 4.222 ( 13.379 22.047 2.098) 25.874 4.606 ( 0.179 16.862 5.280) 17.670 4.676 ( 5.809 5.372 10.361) 13.036 5.169 ( -3.142 13.113 6.286) 14.877 5.449 ( 2.413 2.648 -4.504) 5.755 5.580 ( -0.607 -1.571 -8.169) 8.340 5.888 ( -1.035 7.653 -0.081) 7.723 6.113 ( 1.429 1.215 1.365) 2.320 6.333 ( -3.669 13.135 6.064) 14.925 6.388 ( 3.941 10.153 -1.592) 11.006 6.667 ( -4.098 -7.250 1.546) 8.470 6.796 ( -1.452 0.992 1.746) 2.478 7.022 ( 3.961 8.759 -0.220) 9.616 7.072 ( 0.565 -1.674 1.976) 2.651 7.257 ( 0.335 9.279 0.412) 9.295 7.337 ( 7.679 6.971 3.337) 10.895 7.382 ( -1.810 1.116 0.269) 2.143 7.667 ( -0.519 -3.507 -8.282) 9.009 7.781 ( 3.621 7.744 -4.779) 9.794 8.121 ( 6.769 -5.820 3.935) 9.756 8.347 ( 1.371 -4.369 -1.666) 4.873 8.588 ( -3.506 0.845 -3.738) 5.194 8.846 ( -6.426 1.096 1.807) 6.764 8.892 ( -2.362 3.268 4.773) 6.248 9.340 ( -0.008 2.761 -4.881) 5.608 9.441 ( 3.142 0.787 -0.023) 3.239 9.545 ( -1.142 5.435 1.516) 5.757 9.723 ( 0.072 3.550 -2.826) 4.538 9.829 ( -5.340 -0.287 0.556) 5.376 9.977 ( 5.261 -6.464 -1.659) 8.498 10.134 ( -0.464 9.417 2.823) 9.842 10.298 ( 4.234 1.220 -6.433) 7.798 10.380 ( -6.945 10.613 -2.018) 12.843 10.544 ( 1.473 2.343 -2.383) 3.652 10.633 ( 3.005 5.545 0.763) 6.353 10.726 ( 1.855 5.674 0.023) 5.970 10.774 ( 3.769 -0.593 -1.847) 4.239 10.946 ( 1.784 2.848 -4.630) 5.721 11.246 ( -1.584 4.928 9.995) 11.256 11.324 ( 2.833 8.183 6.281) 10.698 11.592 ( 2.489 8.791 3.037) 9.628 11.607 ( 2.519 6.980 -1.702) 7.613 11.685 ( 3.923 4.118 5.897) 8.192 11.807 ( -1.345 3.890 4.749) 6.285 12.029 ( -8.308 -2.261 1.293) 8.707 12.088 ( 0.098 9.197 -0.043) 9.198 12.379 ( 1.140 -1.139 -0.389) 1.658 12.450 ( 9.978 5.977 -0.845) 11.662 12.509 ( -2.376 -0.990 1.972) 3.243 12.610 ( 1.316 0.890 0.605) 1.700 12.743 ( -1.237 0.743 -0.935) 1.720 12.989 ( -3.801 -12.445 -0.126) 13.013 13.060 ( 2.144 0.672 -0.864) 2.407 13.248 ( -6.507 -4.344 -3.116) 8.421 13.363 ( 0.103 -3.730 -2.538) 4.513 13.502 ( 1.693 -5.072 5.039) 7.347 13.517 ( 7.652 -6.789 -4.077) 11.013 13.708 ( -4.008 -0.807 0.876) 4.181 13.841 ( -4.216 -6.043 -2.788) 7.878 13.981 ( 2.770 3.034 -1.178) 4.274 14.326 ( -6.815 -8.337 6.048) 12.350 14.500 ( -0.563 -10.148 0.280) 10.168 14.685 ( -1.865 -7.250 -1.408) 7.618 14.767 ( 2.774 -8.966 6.196) 11.247 14.798 ( -1.658 -2.233 1.791) 3.308 15.050 ( 1.670 -5.835 -0.804) 6.122 15.238 ( -3.069 -6.490 -1.041) 7.254 15.317 ( 3.263 -8.434 -6.372) 11.063 15.636 ( -3.602 -11.266 3.855) 12.440 15.777 ( -2.994 -15.246 8.834) 17.873 15.869 ( -3.501 -13.910 -8.188) 16.516 16.319 ( -5.165 -18.879 -3.946) 19.966 17.164 ( 1.800 -2.646 -0.068) 3.201 17.341 ( 7.608 4.352 -5.690) 10.450 17.505 ( -8.161 9.997 6.720) 14.550 17.947 ( 1.710 7.420 -4.811) 9.007 18.718 ( -1.695 -3.877 2.073) 4.712 18.856 ( 1.759 -3.089 -1.095) 3.720 21.388 ( 6.364 11.635 9.127) 16.099 22.156 ( -13.030 7.971 -23.984) 28.435 23.451 ( 1.831 -10.940 13.424) 17.414 23.898 ( 1.105 -9.024 -3.389) 9.703 ======================= Grid point 138 (59/141) ======================= q-point: ( 0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.492 ( 19.317 -0.000 18.336) 26.634 2.507 ( 16.222 -0.000 28.437) 32.739 3.140 ( 7.295 -0.000 -5.425) 9.091 3.531 ( 17.244 -0.000 -21.837) 27.824 3.864 ( 28.340 -0.000 7.831) 29.402 3.910 ( 19.720 -0.000 -0.313) 19.722 4.043 ( 35.241 -0.000 -4.288) 35.501 4.059 ( 21.808 -0.000 2.295) 21.928 4.639 ( 4.890 -0.000 12.704) 13.613 4.809 ( 2.336 -0.000 -13.317) 13.520 4.834 ( 8.367 -0.000 -10.032) 13.063 4.979 ( 5.276 -0.000 12.604) 13.664 5.317 ( 19.565 -0.000 -3.425) 19.862 5.334 ( 3.777 -0.000 1.738) 4.158 5.730 ( 9.321 -0.000 1.834) 9.500 5.984 ( 1.694 -0.000 -3.700) 4.069 6.155 ( -0.838 0.000 -7.356) 7.404 6.276 ( 4.519 -0.000 -6.065) 7.563 6.618 ( -5.633 0.000 3.061) 6.411 6.886 ( -7.740 0.000 -8.904) 11.797 7.064 ( 4.071 -0.000 4.816) 6.306 7.081 ( -0.307 0.000 1.614) 1.643 7.113 ( -1.207 0.000 2.911) 3.152 7.405 ( -10.644 0.000 13.485) 17.180 7.547 ( -15.444 0.000 8.327) 17.546 7.703 ( 10.896 -0.000 -6.308) 12.590 7.806 ( -2.131 0.000 -9.303) 9.544 7.926 ( 18.755 -0.000 5.625) 19.580 8.138 ( 8.176 -0.000 0.683) 8.205 8.348 ( 5.009 -0.000 -3.109) 5.896 8.824 ( 1.603 -0.000 -3.594) 3.936 8.905 ( 4.773 -0.000 -0.014) 4.773 9.285 ( 2.961 -0.000 4.845) 5.678 9.467 ( -6.124 0.000 9.428) 11.243 9.577 ( 11.152 -0.000 1.208) 11.218 9.670 ( 0.711 -0.000 -4.270) 4.329 9.815 ( 0.867 -0.000 -0.187) 0.887 9.984 ( -1.885 0.000 -2.795) 3.372 10.166 ( 0.645 -0.000 -1.102) 1.277 10.414 ( -2.108 0.000 1.759) 2.745 10.544 ( 5.657 -0.000 -0.376) 5.670 10.608 ( 3.508 -0.000 1.193) 3.705 10.618 ( 17.968 -0.000 0.939) 17.993 10.822 ( -6.737 0.000 3.148) 7.436 10.966 ( 4.683 -0.000 2.691) 5.401 10.985 ( 14.187 -0.000 -2.241) 14.363 11.286 ( 7.363 -0.000 1.446) 7.503 11.323 ( 1.804 -0.000 -4.924) 5.244 11.442 ( 10.215 -0.000 1.754) 10.365 11.594 ( 1.687 -0.000 -5.523) 5.775 11.784 ( 5.892 -0.000 3.299) 6.753 11.816 ( -1.158 0.000 8.579) 8.657 12.190 ( -6.950 0.000 -6.309) 9.387 12.208 ( 9.640 -0.000 4.021) 10.445 12.239 ( 4.878 -0.000 -6.035) 7.760 12.345 ( -6.593 0.000 -2.721) 7.133 12.588 ( 0.690 -0.000 4.185) 4.242 12.639 ( -8.338 0.000 -0.988) 8.396 12.872 ( 2.717 -0.000 1.649) 3.179 12.992 ( -10.585 0.000 -2.553) 10.889 13.116 ( -0.432 0.000 7.259) 7.272 13.192 ( 3.589 -0.000 -3.810) 5.234 13.274 ( -9.309 0.000 -1.197) 9.385 13.318 ( -8.585 0.000 2.317) 8.892 13.465 ( -2.265 0.000 -6.132) 6.537 13.610 ( 3.261 -0.000 -1.841) 3.745 13.973 ( 3.146 -0.000 -6.968) 7.645 13.978 ( -0.308 0.000 8.881) 8.886 14.253 ( -9.042 0.000 2.897) 9.495 14.500 ( -6.079 0.000 -3.297) 6.915 14.563 ( -3.886 0.000 0.602) 3.933 14.783 ( -10.938 0.000 2.381) 11.195 14.944 ( -10.642 0.000 -4.780) 11.666 14.967 ( -7.614 0.000 0.203) 7.617 14.984 ( -7.503 0.000 -0.125) 7.504 15.319 ( -9.952 0.000 -6.326) 11.792 15.697 ( -1.212 0.000 -7.933) 8.025 15.797 ( -15.654 0.000 16.631) 22.840 15.828 ( -16.923 0.000 -10.271) 19.796 15.900 ( -14.688 0.000 8.056) 16.752 17.073 ( -3.333 0.000 5.307) 6.266 17.079 ( 2.479 -0.000 -2.414) 3.460 17.798 ( 8.269 -0.000 -6.676) 10.627 17.821 ( 4.038 -0.000 1.135) 4.194 18.929 ( 1.665 -0.000 -1.418) 2.187 18.999 ( 3.087 -0.000 3.019) 4.318 21.804 ( 14.395 -0.000 -13.456) 19.705 21.943 ( 9.485 -0.000 9.237) 13.239 23.497 ( -12.435 0.000 -3.959) 13.050 23.603 ( -12.997 0.000 6.762) 14.651 ======================= Grid point 139 (60/141) ======================= q-point: ( 0.40 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.810 ( 14.780 -12.033 23.339) 30.133 2.878 ( 14.255 -20.750 15.032) 29.321 3.312 ( 3.503 -14.388 -1.869) 14.926 3.611 ( 14.943 4.622 -16.654) 22.847 3.916 ( 21.739 10.900 0.459) 24.323 4.063 ( 22.832 10.932 -2.563) 25.443 4.299 ( 11.670 -10.910 4.916) 16.714 4.533 ( 22.615 -8.971 -4.682) 24.776 4.701 ( 4.000 -1.766 8.899) 9.915 4.832 ( 7.235 -5.732 -9.817) 13.475 5.000 ( 5.547 -8.543 -7.336) 12.553 5.107 ( 4.575 -6.381 4.738) 9.170 5.275 ( 3.300 7.286 -4.631) 9.242 5.490 ( 8.685 0.314 7.601) 11.546 5.785 ( 5.873 1.928 -2.731) 6.758 6.112 ( 7.694 -8.114 3.026) 11.584 6.156 ( 1.610 -2.746 -9.374) 9.900 6.339 ( 1.988 -3.320 0.331) 3.884 6.525 ( -5.465 4.268 0.627) 6.963 6.731 ( -5.309 4.442 -8.606) 11.044 7.034 ( -3.650 1.496 0.643) 3.996 7.085 ( -1.776 -4.029 2.364) 4.998 7.300 ( 2.344 -11.076 8.153) 13.952 7.371 ( -7.286 -5.090 8.625) 12.384 7.500 ( -11.442 -7.939 5.323) 14.909 7.694 ( -1.524 0.911 -3.721) 4.123 7.858 ( 7.641 0.263 -6.604) 10.103 8.110 ( 13.415 0.075 3.482) 13.860 8.318 ( 17.216 -7.831 2.391) 19.064 8.406 ( 6.602 -0.475 -3.201) 7.353 8.749 ( 0.860 9.537 -4.460) 10.564 8.935 ( 4.073 1.968 -0.653) 4.571 9.197 ( 1.173 8.738 2.249) 9.099 9.428 ( -4.168 0.612 3.161) 5.267 9.608 ( 2.677 -1.027 2.738) 3.965 9.739 ( 5.370 0.079 -0.865) 5.440 9.874 ( 3.312 -2.147 0.498) 3.978 10.067 ( -3.400 -9.649 -1.242) 10.306 10.154 ( -3.539 0.112 -0.114) 3.542 10.369 ( 1.751 2.741 -0.487) 3.289 10.524 ( -0.199 3.843 -0.824) 3.936 10.652 ( 6.308 0.406 -1.625) 6.526 10.762 ( -4.069 -1.078 4.016) 5.818 10.809 ( 8.101 -5.852 2.397) 10.277 11.088 ( 15.339 0.035 -0.628) 15.352 11.147 ( 5.925 -3.652 -4.201) 8.130 11.315 ( 5.717 -3.001 1.406) 6.608 11.399 ( 0.569 -3.455 -1.145) 3.684 11.526 ( 7.798 1.645 1.357) 8.085 11.648 ( 4.278 -3.738 -5.914) 8.201 11.803 ( 0.005 0.559 7.221) 7.243 11.897 ( 3.450 -5.505 4.921) 8.150 12.072 ( -10.964 1.886 -4.053) 11.840 12.222 ( -8.399 0.407 -3.573) 9.137 12.271 ( 5.693 0.148 -0.393) 5.709 12.358 ( 5.561 -1.206 1.177) 5.811 12.562 ( -5.549 0.734 -1.397) 5.769 12.577 ( -1.957 1.224 1.987) 3.045 12.835 ( -0.211 5.241 1.229) 5.388 12.888 ( -9.728 0.345 -0.614) 9.754 13.015 ( -4.197 2.623 -1.740) 5.246 13.110 ( -5.543 4.886 -0.002) 7.389 13.279 ( -1.353 -6.372 -2.406) 6.944 13.389 ( 3.351 -2.135 3.851) 5.533 13.489 ( 4.547 -2.963 -3.179) 6.290 13.670 ( 7.189 -1.315 -0.665) 7.339 13.960 ( -2.337 1.553 8.247) 8.711 13.985 ( 1.561 -0.295 -4.911) 5.161 14.156 ( -6.423 4.249 1.542) 7.854 14.419 ( -4.231 2.602 -2.494) 5.558 14.514 ( -2.022 3.615 -0.887) 4.236 14.603 ( -10.895 9.636 2.032) 14.686 14.753 ( -8.932 -0.542 -1.561) 9.083 14.892 ( -9.492 1.555 -1.330) 9.710 15.002 ( -7.088 -4.632 -1.328) 8.571 15.261 ( -8.152 -3.783 -3.925) 9.806 15.496 ( -5.608 11.094 -8.245) 14.916 15.651 ( -15.505 3.724 10.283) 18.974 15.733 ( -10.340 0.337 -0.400) 10.353 15.797 ( -8.004 -0.887 2.431) 8.412 17.011 ( -0.494 3.865 1.768) 4.279 17.080 ( -0.780 1.593 0.019) 1.773 17.848 ( 7.278 -1.995 -2.662) 8.002 17.952 ( 2.706 -7.383 -1.335) 7.976 18.903 ( 2.127 4.690 -0.439) 5.168 19.018 ( 1.818 1.735 2.019) 3.224 21.912 ( 12.627 0.426 -9.347) 15.716 22.043 ( 5.876 -1.271 8.467) 10.384 23.301 ( -8.582 7.274 -1.726) 11.382 23.542 ( -12.767 -3.537 2.547) 13.490 ======================= Grid point 140 (61/141) ======================= q-point: ( 0.50 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.209 ( 9.323 -14.958 18.614) 25.635 3.403 ( 13.301 -19.244 10.684) 25.718 3.616 ( 12.126 6.135 -9.750) 16.725 3.641 ( 2.351 -19.122 -0.153) 19.266 3.942 ( 19.518 7.658 -5.467) 21.668 4.100 ( 12.370 5.183 3.628) 13.894 4.477 ( -1.149 -3.540 -0.217) 3.728 4.697 ( 5.357 2.433 -4.309) 7.293 4.792 ( 6.879 -2.345 -1.810) 7.489 4.990 ( 2.435 3.361 -4.078) 5.819 5.122 ( 3.291 -4.776 -1.682) 6.039 5.222 ( 0.676 -0.570 -3.539) 3.648 5.351 ( 6.499 -16.038 1.864) 17.405 5.511 ( 3.914 1.558 8.595) 9.572 5.836 ( 4.029 -1.635 -5.477) 6.993 6.130 ( -8.297 2.915 -6.878) 11.164 6.314 ( 2.871 -2.607 7.569) 8.504 6.395 ( 9.744 -7.793 -2.189) 12.667 6.560 ( 3.639 -7.603 -3.087) 8.976 6.672 ( 1.519 -0.127 -4.250) 4.515 6.930 ( -9.814 2.723 4.035) 10.955 7.193 ( -2.026 -8.272 2.489) 8.872 7.392 ( 1.734 -2.209 6.286) 6.885 7.532 ( -5.015 -7.524 -1.540) 9.173 7.565 ( -3.757 -12.459 3.446) 13.462 7.709 ( 0.394 -3.795 0.712) 3.881 7.891 ( 3.416 0.495 -1.121) 3.629 8.191 ( 8.244 3.013 -1.036) 8.838 8.402 ( -0.673 5.823 1.106) 5.965 8.569 ( 2.352 7.579 -4.218) 8.987 8.707 ( 18.899 -11.241 0.013) 21.989 8.920 ( -0.857 0.085 -0.475) 0.984 9.103 ( 3.302 5.233 -1.620) 6.396 9.419 ( -0.652 -3.775 2.153) 4.395 9.636 ( -1.568 0.622 3.976) 4.319 9.757 ( 6.508 3.697 -0.869) 7.535 9.928 ( 3.090 -0.712 1.175) 3.382 10.076 ( -1.285 4.547 0.794) 4.791 10.166 ( -4.003 -6.191 1.532) 7.529 10.372 ( -5.091 -1.021 -0.243) 5.198 10.458 ( -4.126 0.049 -0.798) 4.202 10.701 ( 8.812 2.123 -2.669) 9.448 10.814 ( 3.578 -3.219 2.086) 5.245 10.941 ( 1.423 -3.711 0.083) 3.975 11.095 ( -5.169 -0.639 -5.182) 7.347 11.328 ( 12.539 -7.888 -1.085) 14.853 11.410 ( -1.722 -2.104 -0.317) 2.737 11.476 ( 1.652 4.447 0.007) 4.744 11.528 ( 4.993 -0.069 2.497) 5.583 11.690 ( 5.436 2.571 -3.628) 7.023 11.822 ( 3.668 1.051 4.552) 5.939 11.960 ( -6.845 -1.049 1.753) 7.143 12.023 ( -4.974 -5.279 3.559) 8.079 12.166 ( -1.672 -1.948 -3.961) 4.720 12.324 ( 4.285 -1.573 -3.151) 5.547 12.432 ( 0.648 -5.026 1.780) 5.372 12.473 ( -6.038 3.308 -1.939) 7.153 12.536 ( -2.685 0.291 0.288) 2.716 12.744 ( 0.374 2.403 2.922) 3.802 12.879 ( 0.760 -1.007 -2.824) 3.093 12.935 ( 3.736 4.529 -1.448) 6.047 13.055 ( 0.709 -0.789 3.222) 3.392 13.349 ( -3.619 -4.001 -4.429) 6.980 13.431 ( -4.944 -4.239 3.557) 7.420 13.570 ( 3.681 0.892 2.641) 4.617 13.736 ( 2.036 0.718 -2.367) 3.204 13.941 ( -3.664 -2.035 6.355) 7.613 14.015 ( 4.269 5.112 1.859) 6.915 14.046 ( 5.469 -1.019 -4.087) 6.903 14.279 ( -7.662 8.740 -1.505) 11.720 14.346 ( -2.265 4.734 0.910) 5.326 14.466 ( -0.568 6.094 -2.401) 6.574 14.692 ( -10.811 -1.718 -3.174) 11.397 14.769 ( -6.422 1.859 -1.746) 6.910 14.990 ( -5.831 -1.993 0.492) 6.182 15.185 ( -6.251 3.696 0.356) 7.271 15.332 ( -0.813 4.635 -4.114) 6.251 15.447 ( -13.373 2.648 1.081) 13.676 15.600 ( -6.962 5.634 3.027) 9.454 15.740 ( -4.420 0.950 0.453) 4.544 16.956 ( 0.188 2.511 0.410) 2.551 17.046 ( -2.294 -0.494 -0.499) 2.399 17.991 ( 7.524 -6.323 -0.956) 9.874 18.088 ( 0.225 -6.893 -0.794) 6.942 18.821 ( 3.150 7.825 0.146) 8.436 18.971 ( -0.919 4.964 1.387) 5.235 21.987 ( 10.103 2.717 -4.752) 11.491 22.141 ( 3.024 -3.892 8.038) 9.429 23.120 ( -2.692 6.885 -2.797) 7.904 23.469 ( -12.674 -2.412 0.385) 12.907 ======================= Grid point 141 (62/141) ======================= q-point: ( 0.60 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.451 ( 4.604 1.480 3.139) 5.765 3.557 ( 8.544 4.578 -1.253) 9.774 3.757 ( 18.500 -0.349 10.374) 21.213 3.967 ( 4.526 -13.178 1.730) 14.041 4.033 ( -0.807 -0.968 -2.689) 2.970 4.119 ( 3.550 1.517 1.075) 4.007 4.441 ( -10.879 -1.993 -3.190) 11.511 4.573 ( -4.088 10.078 -6.256) 12.547 4.785 ( 9.453 9.897 -3.046) 14.021 4.965 ( 2.286 -2.698 -0.810) 3.628 5.179 ( -3.113 1.562 2.439) 4.252 5.311 ( 5.862 -7.877 2.066) 10.034 5.528 ( 1.904 3.607 6.290) 7.497 5.611 ( -4.248 -10.102 1.676) 11.086 5.807 ( -4.154 4.639 -2.926) 6.880 6.120 ( 3.056 -10.555 -7.171) 13.121 6.415 ( 2.809 -4.988 2.507) 6.249 6.617 ( 6.941 -3.696 1.389) 7.985 6.664 ( -1.231 -1.130 -0.120) 1.675 6.736 ( 0.631 -5.752 -2.686) 6.380 6.864 ( -0.595 -7.097 -0.120) 7.123 7.227 ( -4.809 0.694 5.586) 7.403 7.462 ( 0.088 0.031 -3.055) 3.057 7.617 ( 2.816 -8.983 -4.655) 10.502 7.733 ( 3.496 1.996 6.282) 7.461 7.786 ( -0.844 -9.286 1.203) 9.401 7.914 ( 3.688 2.429 1.761) 4.754 8.143 ( -2.675 4.564 -3.051) 6.107 8.222 ( -0.445 9.337 -2.018) 9.563 8.566 ( -0.354 -3.504 2.558) 4.353 8.813 ( -3.378 2.382 -8.465) 9.420 8.946 ( 1.875 -0.966 0.384) 2.143 9.244 ( 6.621 -12.252 3.840) 14.446 9.544 ( -6.937 3.592 0.539) 7.830 9.583 ( 10.392 -5.638 6.946) 13.713 9.739 ( 5.508 5.638 -1.865) 8.100 9.969 ( 0.417 -1.851 -1.595) 2.479 10.025 ( 6.270 1.797 1.776) 6.760 10.240 ( 1.521 -2.353 2.679) 3.877 10.276 ( -15.517 -0.667 -0.669) 15.546 10.366 ( -5.344 5.131 -0.474) 7.424 10.732 ( 5.221 2.870 -3.259) 6.791 10.850 ( 1.872 1.319 1.354) 2.660 11.042 ( 3.483 0.541 -2.512) 4.328 11.104 ( -3.395 -10.592 2.433) 11.386 11.289 ( -2.122 7.488 -0.151) 7.784 11.433 ( -0.462 -0.342 -1.175) 1.308 11.539 ( -5.219 -2.268 0.810) 5.748 11.609 ( 10.124 -8.837 -1.975) 13.583 11.712 ( 4.259 2.997 -3.137) 6.079 11.818 ( 5.269 3.626 1.287) 6.524 11.892 ( -4.073 2.338 0.319) 4.707 12.080 ( -5.971 -5.404 4.561) 9.255 12.132 ( -3.859 -0.039 -3.510) 5.216 12.331 ( -5.975 4.567 -0.760) 7.559 12.429 ( 6.136 -1.381 -4.955) 8.007 12.474 ( 2.584 0.898 -0.569) 2.794 12.593 ( -3.397 -6.224 2.482) 7.512 12.751 ( 3.109 0.707 2.678) 4.164 12.835 ( 3.648 4.375 -2.374) 6.171 13.021 ( 8.230 -3.913 0.716) 9.141 13.117 ( 0.145 -3.059 5.273) 6.098 13.380 ( -1.198 -4.041 -2.995) 5.171 13.394 ( -8.546 2.000 0.210) 8.779 13.504 ( -2.300 2.310 7.745) 8.403 13.737 ( 0.609 1.093 -0.780) 1.474 13.922 ( 1.576 5.432 1.735) 5.916 14.025 ( 4.657 -0.491 -1.130) 4.817 14.082 ( -3.002 1.299 -0.809) 3.370 14.184 ( 1.515 -3.181 1.130) 3.700 14.286 ( -1.568 8.666 -2.122) 9.058 14.365 ( 5.582 -2.144 -1.384) 6.137 14.560 ( -12.480 2.069 -4.685) 13.490 14.736 ( 0.531 -1.719 -4.258) 4.623 14.978 ( -4.310 -2.684 2.903) 5.849 15.126 ( -1.915 -1.526 2.532) 3.523 15.220 ( -2.894 4.680 1.636) 5.741 15.338 ( -4.684 0.999 -5.750) 7.484 15.446 ( -1.916 7.493 1.512) 7.880 15.693 ( -1.938 0.490 -0.664) 2.106 16.938 ( -1.224 -0.980 1.158) 1.949 17.074 ( -1.002 -5.122 -2.253) 5.685 18.144 ( -0.111 -3.174 2.172) 3.847 18.202 ( 4.405 -7.535 -2.444) 9.064 18.710 ( 4.694 9.594 0.817) 10.712 18.840 ( -4.370 7.416 1.038) 8.671 21.990 ( 7.609 6.783 0.910) 10.234 22.251 ( -2.286 -6.658 5.382) 8.862 23.026 ( 4.675 4.543 -2.819) 7.102 23.404 ( -10.485 -4.320 -2.258) 11.563 ======================= Grid point 142 (63/141) ======================= q-point: (-0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.323 ( 11.234 17.779 -2.539) 21.184 3.572 ( 2.088 2.120 3.187) 4.360 3.727 ( -20.883 14.881 -0.371) 25.645 3.868 ( -2.400 8.602 0.533) 8.946 4.074 ( 7.159 4.014 -0.824) 8.249 4.161 ( -2.424 -2.420 1.410) 3.704 4.241 ( 1.122 13.648 -5.040) 14.592 4.536 ( 0.655 -3.992 -4.095) 5.757 4.716 ( 3.758 7.328 3.774) 9.059 5.038 ( 2.331 2.669 5.470) 6.518 5.120 ( 0.937 -0.260 0.049) 0.974 5.408 ( -1.646 3.835 5.495) 6.900 5.453 ( 0.814 0.774 -1.003) 1.506 5.704 ( -1.861 3.506 -1.661) 4.303 5.761 ( -5.575 -14.252 6.078) 16.466 6.298 ( 2.862 -5.463 -2.828) 6.785 6.453 ( -7.810 2.946 0.119) 8.348 6.663 ( 1.547 -5.416 4.604) 7.275 6.682 ( 2.472 -1.327 -3.637) 4.593 6.892 ( 3.686 -6.971 1.998) 8.134 7.056 ( 3.778 -7.792 -4.367) 9.699 7.161 ( -2.829 2.009 2.694) 4.393 7.427 ( 2.013 1.441 -2.798) 3.735 7.584 ( -1.691 10.870 -1.510) 11.104 7.708 ( -2.909 12.607 2.497) 13.177 7.838 ( 11.016 -1.388 -1.084) 11.156 7.916 ( -6.998 -0.003 0.037) 6.998 8.055 ( 2.726 3.568 -4.923) 6.663 8.220 ( 3.182 -7.786 1.390) 8.525 8.652 ( -2.550 -3.842 4.296) 6.303 8.710 ( -1.872 -0.007 -8.871) 9.067 9.039 ( 1.493 -5.521 3.555) 6.734 9.331 ( -4.658 8.886 5.310) 11.352 9.445 ( -3.435 -6.908 0.291) 7.720 9.628 ( 1.710 8.344 -1.264) 8.610 9.755 ( 4.808 2.019 3.499) 6.279 10.040 ( -12.209 4.862 -5.693) 14.322 10.092 ( 7.045 -5.905 -3.424) 9.809 10.139 ( 6.136 -5.278 1.511) 8.234 10.213 ( 0.270 4.590 0.314) 4.609 10.389 ( -1.108 -7.405 3.895) 8.440 10.679 ( -0.617 4.116 -2.168) 4.693 10.846 ( -1.042 0.155 2.241) 2.476 11.017 ( 1.006 2.751 -2.039) 3.569 11.107 ( -1.041 7.645 1.417) 7.844 11.329 ( -0.048 -5.548 3.434) 6.525 11.457 ( -2.740 1.806 3.254) 4.621 11.484 ( 2.849 0.103 -5.791) 6.455 11.650 ( -1.754 0.309 -1.950) 2.641 11.743 ( 3.658 6.399 1.745) 7.575 11.856 ( 0.161 -9.445 -4.622) 10.516 11.925 ( 5.058 -1.742 2.242) 5.801 12.012 ( -0.545 3.129 -3.596) 4.797 12.119 ( -11.609 0.321 -2.239) 11.827 12.258 ( -0.589 -4.043 3.899) 5.647 12.437 ( 1.584 0.909 -1.875) 2.617 12.504 ( 1.576 1.445 0.775) 2.275 12.595 ( 1.442 2.757 5.170) 6.035 12.743 ( 6.410 6.711 3.828) 10.039 12.827 ( -2.685 -1.585 -4.794) 5.719 13.058 ( -11.480 1.926 0.330) 11.645 13.164 ( 9.272 -1.952 -1.480) 9.590 13.265 ( -7.549 1.597 -0.742) 7.752 13.460 ( 4.763 -1.562 -0.579) 5.046 13.605 ( 1.241 -9.986 9.318) 13.714 13.675 ( 0.338 6.761 4.968) 8.396 13.888 ( 8.674 4.487 0.771) 9.796 14.003 ( 4.778 1.831 -3.645) 6.282 14.076 ( -7.335 3.461 -0.441) 8.123 14.114 ( 0.803 1.775 0.851) 2.126 14.314 ( -3.552 -10.972 -0.971) 11.574 14.396 ( -2.124 2.076 -5.818) 6.532 14.567 ( 2.003 -11.231 -1.238) 11.476 14.797 ( 2.437 -3.900 -6.340) 7.832 15.018 ( -4.690 -5.973 3.903) 8.539 15.132 ( 0.381 5.441 0.055) 5.455 15.188 ( -0.718 -6.234 2.922) 6.922 15.309 ( 1.047 0.223 -1.272) 1.662 15.332 ( 0.054 2.689 -0.471) 2.731 15.702 ( -1.106 -4.218 -3.305) 5.472 16.968 ( -1.924 -3.934 1.570) 4.653 17.182 ( 1.956 -7.219 -3.530) 8.271 18.115 ( -2.419 4.941 2.367) 5.989 18.344 ( 2.465 -2.189 -2.940) 4.417 18.606 ( -1.125 4.912 2.365) 5.567 18.692 ( 0.613 4.970 0.899) 5.088 21.912 ( 5.609 10.434 5.971) 13.266 22.307 ( -9.873 -5.732 -1.749) 11.550 23.050 ( 7.593 -0.188 1.923) 7.835 23.432 ( -3.010 -7.938 -5.233) 9.973 ======================= Grid point 143 (64/141) ======================= q-point: (-0.20 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.107 ( 8.619 21.812 4.516) 23.884 3.172 ( -22.286 19.741 -2.853) 29.908 3.517 ( -10.270 13.980 14.737) 22.762 3.573 ( -1.647 5.900 -12.518) 13.936 3.965 ( 5.091 18.724 0.510) 19.411 3.995 ( 5.903 12.655 -9.685) 16.994 4.242 ( 6.667 0.499 -5.068) 8.389 4.508 ( 2.357 9.479 -3.370) 10.333 4.659 ( -2.952 -1.161 8.418) 8.996 4.884 ( 0.312 13.667 7.490) 15.588 5.253 ( 8.567 -2.142 7.573) 11.633 5.325 ( 4.273 5.586 -2.023) 7.318 5.431 ( -6.975 -0.527 -0.741) 7.035 5.620 ( -0.318 4.978 1.831) 5.313 5.967 ( -4.184 -12.571 6.069) 14.573 6.259 ( -3.685 10.385 0.477) 11.030 6.377 ( -3.042 -3.797 -2.597) 5.515 6.660 ( 4.861 4.960 3.240) 7.663 6.769 ( -1.634 -0.265 1.465) 2.210 6.956 ( -1.898 2.423 -4.824) 5.722 7.069 ( 1.116 3.112 2.028) 3.879 7.206 ( -3.221 -8.353 0.108) 8.953 7.351 ( 1.301 12.829 -1.637) 12.998 7.402 ( -1.361 6.095 2.228) 6.630 7.646 ( 5.943 -6.020 -0.785) 8.496 7.687 ( -3.496 11.626 -5.689) 13.407 7.988 ( 7.618 -0.500 -1.089) 7.712 8.029 ( 5.976 4.994 -6.576) 10.193 8.354 ( 0.034 -1.396 5.506) 5.680 8.589 ( -2.464 0.683 -6.741) 7.210 8.824 ( 4.973 -5.664 3.534) 8.324 8.999 ( -6.585 7.747 5.246) 11.442 9.281 ( -0.304 -4.677 -1.940) 5.072 9.487 ( -5.429 0.824 1.776) 5.772 9.553 ( 6.712 -1.438 -0.556) 6.886 9.723 ( 1.855 4.596 3.206) 5.902 9.859 ( -8.231 1.440 -4.751) 9.613 10.100 ( -0.252 6.051 -0.160) 6.058 10.256 ( 8.079 -1.050 -5.464) 9.810 10.283 ( 1.584 -4.367 0.456) 4.668 10.460 ( -2.859 -1.998 -0.632) 3.544 10.637 ( 0.737 0.674 0.972) 1.393 10.833 ( -1.361 0.673 0.841) 1.736 10.929 ( -3.943 9.954 -0.023) 10.707 10.957 ( -0.445 5.190 -2.244) 5.672 11.256 ( 0.757 9.948 -0.460) 9.988 11.471 ( 1.732 0.733 0.281) 1.901 11.496 ( 3.142 0.465 4.947) 5.879 11.628 ( 3.147 6.335 0.648) 7.104 11.706 ( -8.409 -4.873 2.728) 10.095 11.785 ( -1.750 9.273 1.886) 9.623 11.961 ( -3.032 -0.883 -4.938) 5.862 12.011 ( -1.211 -2.846 -0.585) 3.148 12.185 ( 7.998 -5.157 0.104) 9.517 12.367 ( -2.761 -7.236 1.826) 7.957 12.407 ( 0.416 1.893 -1.382) 2.381 12.469 ( 0.619 2.471 4.092) 4.820 12.574 ( -1.288 1.288 4.974) 5.297 12.714 ( 5.057 2.921 3.359) 6.737 12.805 ( -1.601 -2.398 -2.510) 3.823 12.992 ( -4.044 -3.651 -5.452) 7.707 13.151 ( -8.895 -0.315 -2.695) 9.300 13.289 ( 9.569 -0.916 -0.878) 9.652 13.505 ( 7.588 5.260 -3.414) 9.844 13.561 ( 0.101 6.719 7.167) 9.824 13.685 ( -4.915 0.483 3.295) 5.936 13.853 ( -0.483 3.116 -0.311) 3.169 14.034 ( 2.535 -1.389 -0.212) 2.898 14.106 ( 0.743 -2.354 3.355) 4.165 14.144 ( 6.090 -7.258 0.540) 9.490 14.401 ( -2.092 -8.631 -2.537) 9.236 14.485 ( -1.433 -8.915 -1.013) 9.086 14.751 ( -4.868 -11.724 -5.685) 13.909 14.900 ( 7.098 -3.347 -2.686) 8.294 14.968 ( -2.506 5.936 2.453) 6.894 15.140 ( -0.406 -6.093 0.454) 6.124 15.276 ( -6.880 -6.918 -0.595) 9.774 15.354 ( 1.822 -7.074 5.244) 8.992 15.428 ( 3.570 -8.613 -0.830) 9.360 15.800 ( -3.689 -10.550 -5.636) 12.517 17.036 ( 0.314 -4.784 0.509) 4.822 17.318 ( 4.210 -5.549 -3.327) 7.719 17.952 ( -1.660 12.264 3.917) 12.981 18.246 ( -1.242 10.293 -3.831) 11.053 18.569 ( -8.820 -5.291 1.272) 10.363 18.732 ( 8.201 -1.760 1.646) 8.548 21.786 ( 5.252 11.893 9.610) 16.167 22.241 ( -13.906 -1.717 -10.265) 17.370 23.163 ( 2.796 -5.767 5.942) 8.740 23.583 ( 4.749 -9.170 -5.433) 11.669 ======================= Grid point 144 (65/141) ======================= q-point: (-0.10 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.565 ( -17.241 22.101 0.775) 28.041 2.919 ( 15.767 22.095 15.040) 31.032 3.132 ( -11.641 13.945 6.026) 19.139 3.519 ( 10.745 10.938 -5.526) 16.298 3.699 ( -1.725 10.229 -4.982) 11.508 3.827 ( 16.029 17.081 -10.400) 25.629 4.178 ( 0.639 10.842 -5.602) 12.220 4.400 ( 11.876 9.675 0.277) 15.321 4.612 ( 1.250 12.631 2.463) 12.930 4.718 ( 2.120 3.712 9.885) 10.770 5.110 ( 7.271 21.628 3.999) 23.165 5.332 ( -2.488 6.139 0.688) 6.659 5.450 ( 2.862 -5.401 3.020) 6.818 5.542 ( -0.437 3.213 -0.552) 3.289 6.045 ( -1.413 11.067 2.323) 11.396 6.090 ( -2.746 -4.413 4.500) 6.875 6.404 ( -3.370 -4.618 -3.595) 6.754 6.613 ( -2.602 13.806 2.031) 14.195 6.642 ( 4.670 5.219 4.276) 8.205 6.826 ( -2.956 5.701 -4.139) 7.640 7.069 ( 1.903 -0.168 1.922) 2.710 7.185 ( 0.328 7.832 -1.785) 8.039 7.267 ( -5.399 -4.127 -1.201) 6.901 7.370 ( -0.440 0.554 2.172) 2.285 7.518 ( 6.325 5.364 -6.188) 10.347 7.725 ( 4.246 5.820 0.955) 7.267 8.016 ( 12.292 9.868 -5.475) 16.687 8.067 ( 5.262 -6.741 -2.969) 9.052 8.292 ( -5.185 1.529 2.354) 5.896 8.571 ( -1.469 0.503 -5.429) 5.647 8.801 ( -9.658 5.957 5.708) 12.702 8.973 ( 8.833 -1.513 3.318) 9.556 9.328 ( -0.868 -2.324 -5.189) 5.752 9.435 ( -3.148 -0.208 1.521) 3.502 9.602 ( -4.106 2.906 2.800) 5.757 9.760 ( 3.424 -3.893 0.923) 5.266 9.797 ( 0.199 0.494 -2.879) 2.928 10.009 ( 7.690 5.082 -1.700) 9.372 10.254 ( -0.284 4.571 -0.239) 4.586 10.318 ( 0.277 0.077 -3.171) 3.184 10.446 ( -1.959 1.911 -1.392) 3.071 10.609 ( -1.113 4.652 -1.146) 4.919 10.760 ( 2.825 6.449 -1.893) 7.291 10.798 ( -5.435 5.761 -2.010) 8.171 10.824 ( 2.565 1.542 0.352) 3.013 11.100 ( 4.326 10.818 -1.326) 11.726 11.385 ( 3.931 9.671 3.859) 11.130 11.487 ( -0.211 7.569 5.773) 9.521 11.592 ( -2.660 -5.534 0.886) 6.203 11.722 ( 3.828 2.553 -0.304) 4.611 11.777 ( -5.182 -8.200 5.786) 11.295 11.871 ( 2.185 7.339 1.164) 7.745 11.955 ( -3.514 6.561 2.943) 8.004 12.246 ( 5.300 3.313 -1.509) 6.430 12.356 ( -2.310 0.747 1.402) 2.804 12.442 ( -3.529 -2.703 4.347) 6.217 12.555 ( 5.350 -3.289 -1.976) 6.584 12.597 ( -0.037 -5.229 1.532) 5.449 12.754 ( 2.886 -2.307 1.636) 4.041 12.851 ( 1.790 0.096 -2.005) 2.690 13.028 ( -3.425 -5.252 -5.929) 8.629 13.095 ( -6.807 -2.536 -3.886) 8.238 13.364 ( 4.277 2.464 2.137) 5.379 13.473 ( 2.631 -2.469 -1.313) 3.840 13.497 ( 1.638 1.811 4.180) 4.841 13.663 ( 0.833 -0.759 0.385) 1.191 13.796 ( -0.726 3.220 -3.726) 4.978 14.052 ( 0.348 2.105 0.332) 2.159 14.169 ( -1.102 -6.134 4.335) 7.592 14.335 ( 1.216 -9.097 -0.950) 9.227 14.514 ( -8.146 -7.477 -1.099) 11.112 14.640 ( 3.172 -8.943 1.714) 9.642 14.779 ( -5.295 1.961 1.598) 5.869 14.925 ( 0.069 -9.790 -2.630) 10.138 15.093 ( 3.309 -7.584 0.744) 8.308 15.227 ( -0.334 -3.807 -2.859) 4.772 15.352 ( -9.098 -12.767 -0.088) 15.677 15.536 ( -2.631 -12.863 6.154) 14.500 15.621 ( 1.436 -10.475 -2.094) 10.779 15.953 ( -8.223 -15.500 -5.050) 18.258 17.130 ( 2.946 -4.140 -1.279) 5.240 17.410 ( 2.872 -0.516 -1.154) 3.138 17.708 ( -0.285 15.333 3.946) 15.835 18.069 ( -0.455 7.609 -4.000) 8.608 18.598 ( -6.059 -6.313 0.978) 8.804 18.840 ( 4.778 -2.487 0.804) 5.446 21.665 ( 6.960 11.369 11.547) 17.636 22.082 ( -12.250 2.121 -15.859) 20.151 23.296 ( -3.151 -8.524 5.770) 10.765 23.775 ( 5.118 -8.051 -3.163) 10.050 ======================= Grid point 149 (66/141) ======================= q-point: ( 0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.806 ( 7.228 -0.000 13.054) 14.922 2.871 ( 13.006 -0.000 17.444) 21.759 3.195 ( -2.166 0.000 6.994) 7.322 3.777 ( 15.356 -0.000 -12.830) 20.011 4.178 ( 9.639 -0.000 -5.245) 10.974 4.270 ( 6.917 -0.000 8.072) 10.630 4.476 ( 21.359 -0.000 -3.221) 21.600 4.585 ( 22.499 -0.000 -11.197) 25.132 4.715 ( -0.698 0.000 9.612) 9.638 4.805 ( 1.500 -0.000 -8.663) 8.792 4.985 ( 9.898 -0.000 -7.715) 12.550 5.101 ( 3.741 -0.000 2.355) 4.420 5.426 ( 4.075 -0.000 4.173) 5.833 5.522 ( 5.521 -0.000 -4.730) 7.270 5.956 ( 9.127 -0.000 -0.302) 9.132 5.993 ( -1.165 0.000 0.170) 1.177 6.178 ( 4.413 -0.000 -3.802) 5.825 6.311 ( 0.508 -0.000 0.403) 0.649 6.552 ( -1.911 0.000 6.334) 6.616 6.658 ( -7.660 0.000 -14.221) 16.153 7.011 ( -2.132 0.000 -3.290) 3.920 7.048 ( -8.731 0.000 1.697) 8.894 7.205 ( 3.284 -0.000 9.654) 10.197 7.223 ( -6.917 0.000 -1.367) 7.051 7.382 ( -8.072 0.000 24.274) 25.581 7.690 ( 0.613 -0.000 -3.296) 3.353 7.938 ( 7.156 -0.000 -6.117) 9.414 8.206 ( 4.021 -0.000 4.753) 6.225 8.435 ( 19.710 -0.000 1.785) 19.791 8.510 ( 16.245 -0.000 -6.000) 17.317 8.847 ( 2.749 -0.000 -6.914) 7.441 8.980 ( 0.401 -0.000 1.633) 1.681 9.325 ( -1.369 0.000 5.264) 5.439 9.410 ( -0.392 0.000 5.283) 5.297 9.563 ( -7.599 0.000 -5.051) 9.124 9.778 ( 9.218 -0.000 -0.280) 9.222 9.878 ( 4.575 -0.000 -0.362) 4.589 9.988 ( 0.709 -0.000 1.341) 1.517 10.120 ( -2.941 0.000 -1.641) 3.368 10.400 ( -0.318 0.000 -2.085) 2.109 10.579 ( 0.495 -0.000 -1.547) 1.625 10.585 ( -16.444 0.000 3.363) 16.784 10.661 ( -0.102 0.000 2.732) 2.734 10.999 ( 16.766 -0.000 0.813) 16.785 11.149 ( 13.164 -0.000 -1.404) 13.239 11.201 ( -1.940 0.000 -9.486) 9.682 11.333 ( 13.276 -0.000 3.610) 13.758 11.395 ( 1.334 -0.000 -0.068) 1.336 11.630 ( 7.583 -0.000 2.174) 7.889 11.637 ( 3.809 -0.000 -4.170) 5.647 11.829 ( 2.458 -0.000 6.205) 6.674 11.883 ( 0.481 -0.000 1.117) 1.217 11.977 ( -8.276 0.000 -1.035) 8.340 12.112 ( -12.163 0.000 -0.002) 12.163 12.349 ( 6.019 -0.000 -3.048) 6.747 12.372 ( -1.565 0.000 3.815) 4.124 12.504 ( -5.012 0.000 -2.027) 5.406 12.572 ( -3.395 0.000 1.447) 3.690 12.799 ( -7.175 0.000 -0.467) 7.190 12.915 ( -4.210 0.000 -1.554) 4.488 12.948 ( 4.501 -0.000 -2.302) 5.056 13.113 ( -6.482 0.000 1.144) 6.582 13.159 ( -4.553 0.000 1.646) 4.842 13.404 ( -1.583 0.000 -6.570) 6.758 13.593 ( 16.757 -0.000 3.958) 17.218 13.720 ( 6.022 -0.000 0.802) 6.075 13.933 ( -6.102 0.000 8.014) 10.073 13.996 ( 5.040 -0.000 -5.687) 7.599 14.189 ( 0.395 -0.000 2.621) 2.650 14.403 ( -2.687 0.000 -2.850) 3.917 14.542 ( 0.017 -0.000 -2.183) 2.183 14.561 ( -10.143 0.000 1.557) 10.262 14.715 ( -14.008 0.000 3.966) 14.559 14.738 ( -8.288 0.000 -5.134) 9.749 14.909 ( -5.136 0.000 -0.693) 5.183 15.110 ( -9.334 0.000 -4.797) 10.495 15.528 ( -8.986 0.000 -5.323) 10.444 15.604 ( -9.483 0.000 8.663) 12.844 15.677 ( 2.206 -0.000 -5.994) 6.387 15.692 ( -9.529 0.000 5.261) 10.885 17.021 ( -3.937 0.000 5.162) 6.492 17.119 ( 2.228 -0.000 -1.705) 2.805 17.883 ( 1.995 -0.000 -0.102) 1.998 17.896 ( 4.256 -0.000 -4.759) 6.385 18.960 ( 1.839 -0.000 -0.018) 1.839 19.055 ( 1.477 -0.000 1.886) 2.395 22.023 ( 12.324 -0.000 -7.262) 14.304 22.082 ( 1.861 -0.000 6.806) 7.056 23.299 ( -6.419 0.000 -2.279) 6.812 23.396 ( -10.048 0.000 3.191) 10.543 ======================= Grid point 150 (67/141) ======================= q-point: ( 0.50 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.049 ( 0.891 -18.600 9.726) 21.008 3.133 ( 8.905 -13.379 17.462) 23.732 3.287 ( -6.660 -15.647 5.713) 17.939 3.839 ( 12.883 6.212 -6.094) 15.547 4.202 ( 6.749 4.607 0.446) 8.184 4.353 ( -0.809 -2.481 -1.860) 3.204 4.522 ( 21.220 11.756 -6.664) 25.158 4.706 ( -3.069 -3.268 -4.071) 6.055 4.805 ( 5.536 0.239 -1.949) 5.874 4.864 ( -0.468 -11.519 -1.828) 11.672 5.072 ( 2.550 -1.190 -6.206) 6.815 5.241 ( 7.271 -8.901 -1.170) 11.552 5.321 ( -1.249 9.133 -3.797) 9.969 5.579 ( -0.818 -0.681 4.747) 4.865 5.897 ( 8.255 3.967 -4.202) 10.077 6.085 ( -6.085 0.266 -3.898) 7.231 6.249 ( 3.330 -5.914 3.267) 7.533 6.375 ( 2.425 -5.845 3.016) 7.010 6.517 ( 5.359 -0.222 -3.894) 6.627 6.667 ( 0.246 -3.724 -3.784) 5.315 6.852 ( -12.394 3.805 0.274) 12.968 7.089 ( 0.185 -5.097 1.096) 5.216 7.243 ( -5.219 -10.280 1.095) 11.581 7.360 ( -7.799 -3.343 15.345) 17.535 7.379 ( 2.492 -8.933 7.383) 11.854 7.703 ( 3.899 0.088 1.005) 4.027 7.964 ( 5.364 2.326 -2.287) 6.278 8.252 ( -1.243 -3.091 1.306) 3.579 8.522 ( 10.835 7.538 -4.081) 13.816 8.718 ( 4.928 4.397 -8.005) 10.377 8.756 ( 10.593 -0.462 1.806) 10.755 8.996 ( 0.922 1.797 -0.886) 2.206 9.188 ( -5.097 6.274 6.446) 10.338 9.422 ( 4.040 2.529 -3.808) 6.101 9.569 ( -4.592 -5.791 5.188) 9.030 9.861 ( 6.341 0.973 0.047) 6.416 9.928 ( 1.237 -1.881 -0.318) 2.274 10.015 ( -2.138 -3.350 1.075) 4.116 10.105 ( -1.603 -0.246 -2.273) 2.792 10.352 ( -6.113 2.322 -0.040) 6.540 10.417 ( -4.023 0.880 0.984) 4.234 10.671 ( -0.306 -8.330 -1.235) 8.426 10.733 ( -1.291 -7.194 0.958) 7.372 11.014 ( 6.445 6.536 -2.835) 9.607 11.114 ( 2.888 5.253 -6.358) 8.738 11.314 ( -1.717 2.803 -0.686) 3.357 11.400 ( 9.621 -6.205 -0.959) 11.488 11.516 ( 0.386 -3.020 1.528) 3.406 11.612 ( 3.022 6.589 1.250) 7.356 11.719 ( 4.208 -5.538 -1.949) 7.223 11.851 ( -4.351 -1.411 -0.017) 4.573 11.885 ( 5.547 -0.730 2.769) 6.243 11.956 ( -5.402 1.198 3.394) 6.491 12.081 ( 0.032 -7.187 2.624) 7.651 12.315 ( -4.453 -0.114 2.213) 4.974 12.378 ( -0.118 1.861 -2.553) 3.161 12.456 ( -3.373 0.587 -2.149) 4.042 12.526 ( -3.687 0.301 -1.584) 4.025 12.778 ( 1.155 -0.970 3.071) 3.421 12.887 ( 3.885 1.117 -2.143) 4.575 12.996 ( 2.147 -0.293 -2.182) 3.075 13.039 ( -2.928 0.674 2.632) 3.994 13.209 ( -3.972 -7.976 0.550) 8.928 13.369 ( -0.744 1.130 -5.026) 5.205 13.683 ( 7.508 3.384 3.028) 8.774 13.765 ( 0.205 1.378 0.562) 1.503 13.889 ( -4.065 0.667 6.851) 7.994 14.093 ( 12.364 -2.107 -4.053) 13.180 14.140 ( -0.508 4.570 2.159) 5.080 14.347 ( -1.581 5.280 -3.957) 6.785 14.435 ( -1.060 5.990 1.827) 6.351 14.539 ( -0.082 2.697 -1.912) 3.306 14.548 ( -11.088 -0.892 0.241) 11.127 14.716 ( -4.559 -2.271 -3.817) 6.366 14.873 ( -6.887 -2.490 0.854) 7.373 15.076 ( -8.899 -5.179 -2.445) 10.582 15.410 ( -0.711 5.483 -3.549) 6.570 15.453 ( -6.437 7.529 3.226) 10.418 15.635 ( -3.375 1.722 4.370) 5.784 15.699 ( -0.059 -0.645 -2.728) 2.804 16.978 ( -3.117 1.219 3.454) 4.809 17.092 ( 1.500 4.549 -1.432) 5.000 17.944 ( 2.067 -5.283 -0.614) 5.707 17.969 ( 1.114 -5.321 -3.136) 6.276 18.947 ( 2.277 3.821 0.839) 4.527 19.040 ( -0.363 3.138 1.127) 3.354 22.107 ( -1.810 -1.856 4.795) 5.451 22.117 ( 11.003 1.305 -3.214) 11.537 23.206 ( -0.233 4.695 -1.063) 4.820 23.328 ( -9.636 -1.216 0.570) 9.729 ======================= Grid point 151 (68/141) ======================= q-point: (-0.40 -0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.270 ( -9.845 -11.253 10.198) 18.098 3.535 ( -5.079 -26.928 9.754) 29.087 3.636 ( 2.059 -22.413 4.848) 23.023 3.819 ( 9.699 8.444 -0.229) 12.862 4.112 ( -7.004 6.546 -0.132) 9.588 4.358 ( 1.386 1.802 -4.585) 5.117 4.417 ( 9.368 14.723 -3.285) 17.757 4.697 ( 2.670 6.161 -6.939) 9.656 4.876 ( -1.728 -6.648 -1.098) 6.956 4.959 ( -0.639 1.971 -3.760) 4.293 5.057 ( -4.111 -5.616 -5.429) 8.827 5.267 ( -2.078 -4.422 -1.902) 5.243 5.417 ( -2.184 -6.870 2.440) 7.610 5.590 ( 0.633 -2.106 6.142) 6.524 5.871 ( -2.180 7.571 -2.815) 8.366 6.032 ( 7.125 -2.392 -7.445) 10.579 6.343 ( -2.815 -4.720 2.973) 6.248 6.566 ( 4.073 -9.556 -1.251) 10.463 6.641 ( 3.576 -2.116 -4.384) 6.040 6.684 ( -6.150 0.427 0.169) 6.167 6.746 ( 2.748 -6.124 5.542) 8.705 7.185 ( -0.911 -3.365 5.799) 6.766 7.363 ( -7.164 -4.426 5.285) 9.942 7.424 ( -6.650 -16.706 -0.660) 17.993 7.559 ( 5.553 -7.065 -2.978) 9.467 7.796 ( 6.723 -3.573 7.686) 10.819 7.987 ( 5.929 0.540 4.147) 7.255 8.231 ( -5.501 4.259 -2.818) 7.506 8.396 ( 0.888 11.670 -1.513) 11.801 8.600 ( 2.876 3.990 -5.830) 7.628 8.829 ( -2.878 8.967 -3.857) 10.177 8.958 ( 2.456 -4.555 -5.712) 7.708 9.133 ( -6.400 -2.788 8.218) 10.783 9.441 ( -3.755 -3.207 1.154) 5.071 9.659 ( 9.968 -2.802 6.506) 12.229 9.861 ( 2.167 3.928 -0.396) 4.504 9.950 ( -0.495 -0.031 -0.441) 0.663 10.047 ( -8.131 -3.616 -1.472) 9.020 10.090 ( 0.333 -2.278 1.644) 2.828 10.286 ( 3.323 2.220 4.890) 6.316 10.410 ( -1.595 0.854 -4.389) 4.747 10.790 ( 0.241 -0.737 -4.908) 4.969 10.845 ( -2.314 -8.611 1.719) 9.081 10.941 ( -1.249 1.352 -0.906) 2.052 11.091 ( 7.301 2.331 -1.501) 7.810 11.301 ( -4.730 -6.835 -4.714) 9.556 11.409 ( -1.291 6.176 -0.480) 6.328 11.476 ( -1.250 -0.229 -1.642) 2.077 11.613 ( -0.655 0.883 2.118) 2.386 11.802 ( 1.532 2.518 -2.285) 3.730 11.842 ( -7.997 -3.290 0.769) 8.681 11.909 ( 0.447 -2.871 2.719) 3.980 11.944 ( 4.128 2.890 4.151) 6.529 12.185 ( 4.274 1.665 -1.000) 4.694 12.324 ( -1.143 -0.119 -2.958) 3.174 12.378 ( -2.607 -9.245 1.695) 9.754 12.450 ( 2.302 -2.800 -1.037) 3.771 12.491 ( -1.717 0.702 -3.953) 4.367 12.831 ( 4.588 1.823 2.477) 5.523 12.883 ( -3.258 -0.919 1.674) 3.777 13.018 ( 4.382 0.961 3.678) 5.801 13.078 ( 1.472 -4.990 1.007) 5.299 13.305 ( -5.919 -4.992 0.058) 7.744 13.343 ( 2.804 -1.372 -2.786) 4.184 13.618 ( 0.959 9.685 4.441) 10.697 13.747 ( 2.019 -1.428 -1.847) 3.087 13.862 ( -3.810 -1.062 3.317) 5.163 14.066 ( -2.343 1.925 1.404) 3.341 14.217 ( 6.744 2.982 -2.622) 7.826 14.225 ( 2.226 6.563 1.072) 7.013 14.373 ( 2.690 2.798 -0.391) 3.900 14.443 ( -0.712 3.894 -4.400) 5.919 14.492 ( -2.257 2.225 -1.280) 3.418 14.732 ( 3.863 -0.314 -5.763) 6.945 14.863 ( -6.329 -3.470 2.981) 7.809 15.076 ( -5.430 -4.119 1.080) 6.900 15.274 ( -4.344 5.883 1.579) 7.482 15.349 ( 4.812 5.184 -4.706) 8.496 15.560 ( -0.078 5.503 2.438) 6.019 15.703 ( 1.802 0.829 -0.741) 2.117 16.952 ( -0.861 0.234 1.046) 1.375 17.027 ( 0.594 2.441 -1.173) 2.773 18.036 ( -4.382 -6.428 -0.715) 7.813 18.104 ( 3.679 -7.842 -1.197) 8.744 18.883 ( 1.977 6.778 1.622) 7.244 18.943 ( -1.586 6.922 0.380) 7.111 22.126 ( -6.020 -3.856 2.391) 7.538 22.168 ( 8.758 4.308 2.175) 10.000 23.151 ( 3.802 4.751 -0.040) 6.085 23.264 ( -5.232 -1.949 -2.942) 6.311 ======================= Grid point 152 (69/141) ======================= q-point: (-0.30 -0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.334 ( -15.570 -10.050 3.391) 18.840 3.664 ( -14.284 9.160 -4.543) 17.566 3.734 ( -8.270 6.062 5.776) 11.769 3.918 ( -7.476 -1.784 -0.542) 7.705 3.967 ( -2.159 -6.435 4.945) 8.398 4.246 ( -1.423 -2.526 4.034) 4.967 4.434 ( 13.558 1.644 -1.790) 13.774 4.556 ( 7.204 11.369 -7.532) 15.423 4.876 ( 0.744 7.553 0.743) 7.626 4.986 ( -0.219 -8.410 -4.504) 9.543 5.147 ( -1.306 -3.101 1.318) 3.614 5.292 ( -6.342 -5.225 0.108) 8.218 5.441 ( -11.077 -6.870 5.697) 14.225 5.609 ( -4.015 3.560 -1.401) 5.546 5.779 ( 5.798 1.085 1.110) 6.003 6.176 ( 4.272 -5.665 -5.158) 8.772 6.390 ( -5.217 -3.851 0.740) 6.527 6.520 ( -7.377 -3.318 -1.359) 8.202 6.714 ( 3.140 -2.904 0.077) 4.277 6.845 ( 7.553 -6.773 -0.488) 10.157 6.941 ( 5.094 -9.591 1.570) 10.973 7.172 ( -3.530 2.398 7.302) 8.457 7.364 ( -6.243 -3.412 -2.606) 7.577 7.620 ( -10.254 -13.942 -0.809) 17.326 7.689 ( 3.446 0.621 -3.622) 5.038 7.923 ( 8.444 -0.141 5.446) 10.049 8.000 ( -0.829 11.428 -3.036) 11.853 8.101 ( 3.362 -3.722 6.964) 8.582 8.225 ( 0.970 7.831 -5.414) 9.570 8.549 ( -2.005 -1.403 2.821) 3.735 8.727 ( -0.604 1.780 -10.043) 10.218 9.023 ( 5.919 -2.432 -2.508) 6.873 9.177 ( -16.008 -12.638 4.233) 20.831 9.401 ( -4.426 2.883 4.792) 7.131 9.768 ( 0.601 6.151 2.477) 6.658 9.825 ( -0.848 -1.748 4.086) 4.524 9.902 ( -6.170 1.482 -3.341) 7.171 10.044 ( 3.240 -2.614 0.987) 4.278 10.176 ( 1.496 -4.722 0.884) 5.031 10.334 ( 5.707 4.043 -3.516) 7.827 10.348 ( 6.500 0.392 3.611) 7.446 10.708 ( -4.717 3.055 -4.271) 7.059 10.869 ( -0.758 4.132 2.328) 4.803 10.979 ( -4.230 -7.010 -1.090) 8.259 11.179 ( 5.213 0.003 1.593) 5.451 11.320 ( 2.383 3.064 2.079) 4.404 11.427 ( -2.340 -5.287 -2.515) 6.305 11.460 ( 1.649 -2.897 -3.225) 4.638 11.568 ( -9.720 -3.922 -3.885) 11.178 11.743 ( -0.190 1.516 -1.748) 2.322 11.821 ( -7.703 -2.429 2.002) 8.322 11.894 ( -2.297 2.309 1.476) 3.576 11.985 ( 2.460 -2.376 2.213) 4.074 12.147 ( 4.632 6.479 -4.259) 9.031 12.299 ( 2.407 3.229 -1.238) 4.213 12.442 ( -1.691 0.011 -3.050) 3.487 12.508 ( 1.909 -3.575 2.093) 4.561 12.583 ( 1.671 -7.107 -1.589) 7.471 12.761 ( -4.976 2.993 3.387) 6.723 12.925 ( 5.714 0.042 1.181) 5.835 12.967 ( -10.334 4.683 1.749) 11.479 13.130 ( -4.123 -1.284 2.227) 4.859 13.350 ( 8.043 -4.349 -1.696) 9.299 13.482 ( 6.992 1.518 0.199) 7.157 13.494 ( 0.048 -1.934 7.372) 7.621 13.771 ( 2.430 3.885 2.247) 5.104 13.912 ( -1.235 -9.326 -2.273) 9.678 14.029 ( -5.368 0.111 1.426) 5.555 14.144 ( -3.128 4.034 0.255) 5.111 14.158 ( 6.999 7.005 1.068) 9.960 14.284 ( 1.071 5.486 -3.339) 6.511 14.398 ( -0.898 3.268 1.237) 3.608 14.519 ( 11.103 0.307 -7.856) 13.605 14.775 ( 4.534 -1.763 -5.460) 7.313 14.872 ( -5.568 -3.928 3.901) 7.852 15.132 ( 0.886 -4.287 1.562) 4.648 15.184 ( -0.344 2.549 0.051) 2.573 15.323 ( 4.735 1.731 -3.319) 6.036 15.459 ( 1.715 8.309 0.549) 8.502 15.698 ( 3.004 2.451 -0.587) 3.921 16.937 ( 0.489 0.591 1.100) 1.341 17.075 ( 2.051 -6.493 -2.213) 7.160 18.073 ( -6.299 -4.166 -0.273) 7.557 18.261 ( 1.194 -7.406 -0.188) 7.504 18.720 ( -4.816 11.129 1.055) 12.172 18.839 ( 4.396 6.519 0.938) 7.918 22.115 ( -10.452 -3.618 -0.910) 11.098 22.145 ( 6.018 7.676 7.282) 12.172 23.096 ( -2.321 1.435 -0.200) 2.737 23.337 ( 9.023 -4.517 -4.526) 11.059 ======================= Grid point 153 (70/141) ======================= q-point: (-0.20 -0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.178 ( -28.821 13.593 -4.565) 32.191 3.358 ( -10.675 -3.848 -4.286) 12.130 3.494 ( -13.777 7.802 -3.752) 16.271 3.713 ( 0.740 15.766 13.864) 21.008 4.014 ( -9.223 -1.800 -2.222) 9.656 4.373 ( 9.807 -1.049 3.605) 10.501 4.442 ( 18.495 15.335 -5.572) 24.664 4.566 ( 2.988 -5.652 -1.380) 6.541 4.681 ( -6.170 11.967 5.321) 14.478 5.058 ( -2.943 3.062 3.031) 5.218 5.190 ( 4.579 -5.988 -0.432) 7.551 5.299 ( -8.936 -4.573 -3.553) 10.648 5.468 ( 0.599 2.987 2.358) 3.853 5.607 ( -9.906 -14.620 7.487) 19.182 5.815 ( 8.146 3.885 2.474) 9.358 6.217 ( -7.450 -2.830 -0.805) 8.010 6.363 ( -0.871 0.226 -2.447) 2.607 6.651 ( -0.035 -10.573 -3.298) 11.075 6.774 ( 3.996 1.110 -0.101) 4.149 6.948 ( 0.047 -1.647 -0.487) 1.718 7.071 ( -2.861 -1.213 6.212) 6.946 7.121 ( -1.074 0.154 -1.062) 1.518 7.406 ( -1.022 -5.425 -1.711) 5.780 7.523 ( -9.536 8.345 -0.168) 12.673 7.634 ( 1.057 3.445 -1.991) 4.117 7.813 ( -2.806 7.858 -5.536) 10.014 8.041 ( 5.892 -2.608 1.559) 6.630 8.105 ( 4.425 3.017 -8.187) 9.784 8.297 ( 2.889 -7.723 7.430) 11.100 8.593 ( -1.366 1.191 -3.523) 3.961 8.758 ( 7.470 -7.396 1.230) 10.584 9.086 ( -3.228 2.968 3.878) 5.854 9.229 ( -2.952 -6.351 -6.875) 9.814 9.352 ( -4.350 -2.700 8.311) 9.761 9.647 ( -2.119 6.001 -0.014) 6.364 9.744 ( -9.437 0.554 -1.977) 9.658 9.832 ( 1.579 3.446 1.093) 3.945 10.153 ( 2.987 -3.572 2.265) 5.178 10.231 ( 1.151 -1.099 1.869) 2.455 10.370 ( 10.189 1.685 -8.918) 13.645 10.412 ( 0.919 -0.296 4.088) 4.201 10.643 ( -2.145 0.732 0.975) 2.467 10.799 ( -3.309 0.238 -0.185) 3.323 11.010 ( -1.203 1.717 -0.777) 2.236 11.071 ( -0.321 9.784 -0.216) 9.792 11.357 ( -1.164 -1.232 5.756) 6.001 11.421 ( 1.360 0.958 -1.532) 2.261 11.497 ( -8.668 -2.663 2.803) 9.491 11.594 ( -1.702 -4.162 -4.156) 6.123 11.758 ( 4.047 1.405 -1.940) 4.703 11.795 ( -12.059 -6.069 -4.269) 14.159 11.872 ( -0.509 0.430 2.988) 3.062 12.029 ( 5.993 5.419 -2.794) 8.549 12.093 ( 0.366 -6.657 0.256) 6.672 12.300 ( 2.504 -0.627 0.891) 2.731 12.452 ( 2.616 -0.613 -0.983) 2.861 12.535 ( 1.005 2.668 2.940) 4.096 12.630 ( -1.655 4.395 -0.488) 4.721 12.693 ( -7.651 -1.287 -0.340) 7.766 12.777 ( -3.851 1.282 0.900) 4.157 13.000 ( 7.731 1.600 0.692) 7.925 13.071 ( -6.147 0.439 -0.755) 6.209 13.430 ( 9.593 4.547 0.275) 10.620 13.532 ( 1.094 -6.334 -0.028) 6.428 13.628 ( 0.970 -3.511 3.160) 4.822 13.705 ( 1.694 5.347 3.883) 6.821 13.858 ( -8.553 5.569 0.409) 10.214 14.116 ( 2.872 0.722 -0.106) 2.963 14.125 ( 2.475 1.517 1.274) 3.171 14.144 ( 7.505 -6.961 3.744) 10.899 14.256 ( 1.596 -1.044 -3.206) 3.731 14.361 ( -1.768 -2.550 -0.765) 3.196 14.578 ( 3.984 -0.310 -9.141) 9.976 14.880 ( 6.990 -5.224 -4.199) 9.684 14.907 ( -5.801 -5.489 3.368) 8.667 15.151 ( 0.790 2.528 -0.107) 2.650 15.213 ( 1.275 -1.844 -1.198) 2.542 15.326 ( 0.024 5.571 3.646) 6.658 15.390 ( 7.060 -2.822 -0.850) 7.651 15.680 ( -0.096 0.912 -2.143) 2.331 16.973 ( 1.863 -3.589 -0.041) 4.044 17.237 ( 4.782 -8.258 -1.930) 9.735 18.049 ( -4.931 1.040 1.322) 5.210 18.353 ( -1.432 -3.194 -1.169) 3.690 18.463 ( -7.839 10.820 0.733) 13.381 18.814 ( 5.954 2.457 1.571) 6.630 22.043 ( -3.894 3.515 2.738) 5.917 22.058 ( -4.387 4.510 2.994) 6.967 23.088 ( -2.470 -3.357 -1.261) 4.354 23.529 ( 11.945 -5.967 -3.411) 13.782 ======================= Grid point 154 (71/141) ======================= q-point: (-0.10 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.679 ( -19.808 13.780 -4.870) 24.617 3.173 ( -12.125 8.072 -0.291) 14.569 3.375 ( -1.476 0.648 -4.424) 4.709 3.551 ( 6.237 9.105 7.261) 13.211 3.859 ( -4.466 9.877 1.487) 10.941 4.321 ( 6.692 16.088 -2.245) 17.569 4.386 ( 13.251 11.859 -1.313) 17.831 4.548 ( 3.850 -0.292 3.148) 4.982 4.657 ( 1.481 -2.487 0.742) 2.988 4.928 ( 1.038 9.840 2.633) 10.239 5.252 ( -10.983 -2.221 -0.840) 11.237 5.344 ( 1.812 -3.578 -1.955) 4.462 5.432 ( 4.088 2.374 1.945) 5.111 5.715 ( 5.679 5.307 14.697) 16.625 5.881 ( -5.682 -11.479 2.414) 13.034 6.169 ( -2.602 2.952 0.806) 4.017 6.347 ( 0.029 0.976 -4.950) 5.045 6.728 ( -1.362 4.151 -3.135) 5.377 6.742 ( 0.903 0.611 2.301) 2.547 6.918 ( 0.155 6.320 -4.502) 7.762 7.057 ( -5.817 -3.646 7.436) 10.121 7.130 ( 0.291 -3.177 -3.762) 4.933 7.281 ( -5.611 6.703 -1.916) 8.949 7.438 ( 0.638 4.852 2.244) 5.383 7.626 ( 0.561 5.592 -9.274) 10.844 7.756 ( 6.029 -8.117 -0.868) 10.148 8.058 ( 0.056 3.252 -6.786) 7.525 8.138 ( 2.145 -2.536 -1.244) 3.547 8.388 ( 4.236 3.716 3.788) 6.790 8.562 ( 2.677 1.480 -3.298) 4.498 8.901 ( -5.033 10.332 4.663) 12.402 8.989 ( 8.628 -6.973 3.896) 11.758 9.279 ( 0.551 -0.900 -4.129) 4.262 9.370 ( -7.147 -3.578 4.076) 8.972 9.590 ( -1.455 0.158 1.200) 1.892 9.681 ( -6.002 -1.771 -1.910) 6.542 9.837 ( 5.469 0.055 0.444) 5.487 10.183 ( 7.030 3.758 -0.675) 8.000 10.294 ( 0.270 -3.367 1.964) 3.907 10.346 ( 4.430 7.464 -5.177) 10.106 10.437 ( 0.967 -1.936 -0.475) 2.216 10.616 ( -3.622 -0.878 1.981) 4.220 10.756 ( -7.284 0.218 0.089) 7.288 10.884 ( -5.099 9.134 -4.298) 11.309 10.959 ( 9.137 6.541 -1.470) 11.333 11.313 ( -2.787 4.327 5.018) 7.188 11.416 ( 1.171 0.882 0.003) 1.466 11.514 ( -7.628 -7.981 8.557) 13.968 11.614 ( 2.447 2.853 0.454) 3.786 11.654 ( -5.492 6.329 -3.726) 9.171 11.779 ( 0.954 1.034 -1.839) 2.316 11.880 ( -0.469 -3.735 -0.946) 3.881 12.048 ( 4.544 0.903 0.494) 4.659 12.251 ( -1.466 -2.656 0.561) 3.085 12.336 ( -0.058 -4.587 1.634) 4.870 12.430 ( -0.739 2.530 2.044) 3.336 12.501 ( -0.569 -0.601 -0.771) 1.131 12.560 ( -0.768 -1.459 3.032) 3.452 12.679 ( -1.387 -2.863 -4.346) 5.386 12.824 ( -0.451 -4.982 1.694) 5.282 12.981 ( 2.071 2.549 -1.417) 3.577 13.073 ( 3.620 1.080 -3.820) 5.373 13.451 ( 3.783 1.808 0.431) 4.215 13.515 ( -2.934 5.505 2.222) 6.622 13.583 ( -0.784 5.749 3.265) 6.657 13.701 ( 5.642 0.785 -2.858) 6.373 13.804 ( -2.628 -3.331 0.293) 4.253 14.107 ( 0.153 2.963 2.579) 3.931 14.122 ( 2.526 0.503 -0.460) 2.616 14.254 ( 3.333 -1.405 1.991) 4.128 14.326 ( -0.093 -5.397 -0.005) 5.398 14.540 ( -3.433 -17.571 0.956) 17.928 14.589 ( -0.731 -1.464 -8.387) 8.545 14.895 ( -3.962 3.137 2.869) 5.811 15.036 ( 5.897 -5.008 -4.370) 8.885 15.132 ( -0.489 -3.945 1.298) 4.182 15.185 ( -3.197 -0.987 -2.775) 4.347 15.372 ( -0.604 -4.796 5.809) 7.557 15.531 ( 6.395 -5.530 2.916) 8.943 15.671 ( -6.849 -5.400 -5.016) 10.062 17.079 ( 3.626 -5.199 -2.555) 6.835 17.397 ( 3.739 -4.511 0.541) 5.884 17.937 ( -0.849 9.126 3.263) 9.728 18.198 ( -1.989 10.794 -2.901) 11.353 18.412 ( -7.210 -7.237 -0.099) 10.216 18.860 ( 4.247 -0.819 1.819) 4.692 21.930 ( -3.298 6.141 1.764) 7.190 21.956 ( -1.944 3.464 2.108) 4.497 23.139 ( -3.801 -6.043 -1.878) 7.382 23.721 ( 7.900 -5.314 -1.944) 9.718 ======================= Grid point 160 (72/141) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.854 ( -6.069 0.000 8.343) 10.317 3.079 ( -12.717 0.000 10.606) 16.559 3.127 ( 7.111 -0.000 13.596) 15.344 4.024 ( 12.399 -0.000 -2.597) 12.668 4.253 ( -0.007 0.000 -5.975) 5.975 4.270 ( -6.442 0.000 1.373) 6.587 4.616 ( -5.595 0.000 -6.889) 8.874 4.664 ( -5.343 0.000 0.833) 5.407 4.866 ( 10.771 -0.000 -4.716) 11.758 4.914 ( 10.628 -0.000 -1.338) 10.712 5.103 ( -5.574 0.000 -2.375) 6.059 5.140 ( 5.472 -0.000 -5.728) 7.922 5.393 ( -7.194 0.000 -5.197) 8.875 5.485 ( -5.744 0.000 -5.401) 7.885 5.980 ( -0.551 0.000 3.757) 3.797 6.065 ( -1.308 0.000 -4.180) 4.380 6.243 ( 7.231 -0.000 0.989) 7.298 6.330 ( 1.985 -0.000 5.436) 5.787 6.545 ( -6.943 0.000 9.512) 11.776 6.590 ( 4.215 -0.000 -13.077) 13.740 6.822 ( -6.586 0.000 -9.247) 11.352 6.986 ( 0.814 -0.000 -0.125) 0.824 7.238 ( 5.054 -0.000 6.615) 8.325 7.257 ( -0.621 0.000 6.674) 6.703 7.326 ( -6.232 0.000 21.330) 22.222 7.755 ( 5.961 -0.000 2.511) 6.469 8.037 ( 5.411 -0.000 -2.170) 5.830 8.180 ( -5.061 0.000 -2.228) 5.530 8.745 ( 9.428 -0.000 -2.246) 9.692 8.753 ( 6.663 -0.000 -9.849) 11.891 8.858 ( -13.338 0.000 4.343) 14.027 8.875 ( -0.392 0.000 0.210) 0.445 9.266 ( -4.572 0.000 4.140) 6.168 9.416 ( -6.183 0.000 1.675) 6.406 9.532 ( 10.502 -0.000 0.104) 10.503 9.887 ( 0.475 -0.000 -0.473) 0.670 9.932 ( -0.232 0.000 0.515) 0.565 10.003 ( 0.684 -0.000 2.191) 2.295 10.045 ( -5.573 0.000 -5.932) 8.139 10.328 ( -0.726 0.000 -0.477) 0.869 10.413 ( -0.585 0.000 0.430) 0.726 10.584 ( 0.781 -0.000 -1.174) 1.410 10.646 ( -1.255 0.000 1.959) 2.326 11.043 ( -3.998 0.000 -10.080) 10.844 11.274 ( 3.384 -0.000 1.130) 3.568 11.332 ( -4.640 0.000 -0.069) 4.640 11.421 ( 12.759 -0.000 -3.739) 13.296 11.442 ( -7.894 0.000 -2.230) 8.203 11.631 ( -9.033 0.000 2.470) 9.365 11.696 ( 5.587 -0.000 -1.774) 5.862 11.852 ( -12.551 0.000 0.018) 12.551 11.899 ( 8.383 -0.000 3.038) 8.917 11.990 ( 2.983 -0.000 8.693) 9.191 11.998 ( 9.017 -0.000 5.692) 10.663 12.294 ( -2.416 0.000 0.096) 2.418 12.402 ( -0.041 0.000 -5.384) 5.384 12.438 ( 0.406 -0.000 -1.861) 1.905 12.474 ( -4.463 0.000 -1.725) 4.785 12.788 ( 2.985 -0.000 3.703) 4.757 12.947 ( 5.844 -0.000 -0.781) 5.896 12.971 ( -3.979 0.000 -2.977) 4.969 13.060 ( 3.001 -0.000 1.005) 3.165 13.094 ( -3.065 0.000 2.906) 4.223 13.370 ( 0.665 -0.000 -7.285) 7.315 13.741 ( -2.283 0.000 1.582) 2.778 13.799 ( 1.243 -0.000 2.010) 2.364 13.900 ( 0.125 -0.000 8.624) 8.625 14.162 ( -3.643 0.000 -0.625) 3.696 14.191 ( 12.488 -0.000 -3.862) 13.071 14.407 ( 3.464 -0.000 -3.191) 4.710 14.443 ( -6.725 0.000 2.257) 7.094 14.464 ( -3.876 0.000 0.884) 3.976 14.561 ( -1.835 0.000 0.119) 1.839 14.663 ( 5.982 -0.000 -3.093) 6.734 14.816 ( -2.326 0.000 -0.185) 2.333 14.954 ( -4.373 0.000 -5.453) 6.990 15.442 ( -1.693 0.000 0.204) 1.705 15.480 ( -5.190 0.000 2.229) 5.649 15.614 ( 2.318 -0.000 1.687) 2.867 15.747 ( 6.150 -0.000 -2.053) 6.483 16.963 ( -3.562 0.000 3.886) 5.272 17.148 ( 1.147 -0.000 -0.505) 1.253 17.889 ( -1.215 0.000 -1.513) 1.941 17.936 ( 1.486 -0.000 -3.475) 3.780 18.999 ( 1.719 -0.000 1.699) 2.417 19.061 ( -1.400 0.000 0.509) 1.489 22.063 ( -5.222 0.000 2.221) 5.674 22.230 ( 10.596 -0.000 -0.624) 10.615 23.248 ( -5.730 0.000 -0.287) 5.738 23.253 ( 2.200 -0.000 0.079) 2.202 ======================= Grid point 161 (73/141) ======================= q-point: (-0.40 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.955 ( -14.015 -15.279 8.159) 22.281 3.038 ( -18.547 -14.799 11.236) 26.254 3.354 ( 6.346 -16.065 8.257) 19.146 4.021 ( 1.264 8.213 0.757) 8.344 4.126 ( -8.935 5.168 -0.862) 10.358 4.324 ( -1.119 -4.970 -2.317) 5.596 4.531 ( -11.817 0.077 -6.179) 13.335 4.686 ( -8.647 -7.926 -1.251) 11.797 4.881 ( -7.745 4.407 -1.474) 9.032 4.896 ( 13.635 4.894 -3.523) 14.909 5.046 ( 2.623 -2.101 -6.233) 7.081 5.184 ( -6.086 2.521 -7.866) 10.260 5.260 ( -9.843 -4.218 0.583) 10.724 5.520 ( -1.881 -4.577 -0.481) 4.971 5.943 ( -7.362 4.767 -1.821) 8.958 6.058 ( 4.105 -5.667 -1.419) 7.140 6.279 ( 2.531 1.439 2.217) 3.660 6.433 ( -5.209 -4.787 1.022) 7.148 6.535 ( -6.408 -7.928 8.929) 13.551 6.636 ( 6.457 -2.702 -11.703) 13.636 6.784 ( 5.708 0.821 -4.499) 7.314 7.070 ( -0.834 -7.368 -0.390) 7.425 7.221 ( -1.036 -1.746 4.039) 4.520 7.282 ( -5.365 0.057 16.312) 17.172 7.476 ( 6.614 -10.298 3.784) 12.811 7.835 ( 7.328 -1.190 6.827) 10.086 8.054 ( 2.482 1.411 -1.722) 3.333 8.158 ( -5.132 -2.744 -0.737) 5.866 8.606 ( -5.610 11.726 0.233) 13.001 8.663 ( -1.676 4.951 -8.373) 9.871 8.808 ( -10.323 -5.045 -0.110) 11.490 8.980 ( -1.221 -4.721 -2.899) 5.672 9.050 ( -7.483 14.331 1.285) 16.218 9.409 ( -1.979 -0.459 5.341) 5.714 9.691 ( 9.022 -4.818 2.202) 10.463 9.875 ( -5.876 -1.331 0.150) 6.027 9.922 ( -0.921 -1.802 0.783) 2.169 9.983 ( 0.140 1.254 -2.915) 3.176 10.044 ( -1.099 -2.844 0.960) 3.196 10.355 ( 2.437 -0.898 -3.997) 4.767 10.408 ( 4.796 1.893 1.761) 5.448 10.668 ( -0.887 -7.473 0.398) 7.536 10.710 ( -0.216 -7.335 -0.281) 7.344 10.927 ( -8.729 3.941 -4.980) 10.794 11.190 ( -4.089 1.395 -5.867) 7.286 11.278 ( -0.250 8.292 0.124) 8.297 11.382 ( -4.031 -5.633 -1.565) 7.101 11.511 ( 0.724 0.312 1.208) 1.443 11.558 ( -6.561 -0.015 1.188) 6.668 11.691 ( -10.499 1.601 -1.756) 10.764 11.783 ( -2.866 -3.004 -1.321) 4.357 11.979 ( 4.997 -2.129 4.707) 7.187 12.035 ( 7.721 1.609 7.324) 10.763 12.191 ( 7.156 -5.569 2.232) 9.338 12.280 ( 3.162 -0.627 0.855) 3.335 12.335 ( -1.507 3.417 -4.374) 5.751 12.450 ( -0.571 -0.297 -2.777) 2.851 12.467 ( 1.802 -0.490 -2.508) 3.127 12.829 ( -1.283 -0.446 3.015) 3.307 12.902 ( 0.079 1.750 -0.436) 1.805 13.038 ( 4.484 -2.506 1.737) 5.422 13.093 ( 4.644 0.105 2.303) 5.185 13.147 ( -0.714 -6.252 -0.362) 6.303 13.357 ( 1.183 1.127 -5.421) 5.662 13.682 ( -8.358 -0.257 -0.104) 8.363 13.778 ( 0.993 2.915 2.436) 3.927 13.896 ( 1.265 2.654 6.305) 6.957 14.082 ( -2.997 4.202 -0.993) 5.256 14.267 ( 1.215 0.880 2.975) 3.331 14.346 ( -1.638 4.049 -2.326) 4.949 14.454 ( 6.106 3.173 -2.398) 7.287 14.465 ( 7.496 -1.657 -2.014) 7.937 14.545 ( 1.491 1.616 -0.019) 2.199 14.781 ( 11.216 -1.606 -3.278) 11.795 14.805 ( 0.182 0.184 0.946) 0.981 14.950 ( -2.161 -4.167 -4.525) 6.520 15.346 ( -1.884 5.985 0.031) 6.274 15.478 ( 3.385 0.769 -1.346) 3.723 15.640 ( 5.062 3.987 3.153) 7.174 15.779 ( 7.458 2.526 0.051) 7.874 16.933 ( -2.255 0.113 1.819) 2.900 17.114 ( 0.959 4.548 -0.174) 4.651 17.896 ( -4.436 -3.718 -2.171) 6.181 18.002 ( 1.203 -6.531 -1.834) 6.889 18.984 ( -0.175 3.976 2.018) 4.463 19.016 ( -1.175 2.946 0.201) 3.179 22.014 ( -8.193 -1.475 0.042) 8.325 22.313 ( 9.167 2.028 3.840) 10.143 23.181 ( -5.036 2.228 -2.478) 6.038 23.290 ( 8.345 0.475 0.417) 8.369 ======================= Grid point 162 (74/141) ======================= q-point: (-0.30 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.962 ( -23.462 -11.525 8.943) 27.627 3.296 ( -20.042 -25.070 3.814) 32.323 3.647 ( -15.508 2.169 -3.542) 16.055 3.792 ( -4.797 -8.865 3.631) 10.714 4.060 ( 5.932 5.911 5.772) 10.171 4.185 ( -13.603 6.074 0.013) 14.898 4.462 ( -6.080 -2.854 1.821) 6.959 4.750 ( -7.311 -10.814 -4.694) 13.872 4.809 ( -5.470 -2.918 -1.119) 6.300 4.944 ( 6.548 7.073 -6.498) 11.624 5.053 ( 6.042 -3.403 -0.515) 6.953 5.164 ( -6.437 -2.864 -5.306) 8.820 5.210 ( -16.054 -5.812 -0.714) 17.089 5.558 ( -6.280 -2.882 2.010) 7.196 5.811 ( -1.819 2.227 1.074) 3.070 6.210 ( 3.577 -6.202 -4.479) 8.445 6.289 ( 2.233 -1.506 -0.053) 2.694 6.377 ( -11.238 -1.375 1.212) 11.387 6.662 ( 0.754 -6.045 3.036) 6.807 6.773 ( 6.020 -7.932 -10.633) 14.567 6.869 ( 5.259 -4.018 4.280) 7.882 7.173 ( -2.731 -3.489 2.289) 4.987 7.256 ( -5.057 -0.539 8.370) 9.794 7.292 ( -5.656 -11.062 -0.856) 12.454 7.685 ( 5.804 -4.984 -1.232) 7.749 7.971 ( 7.186 -4.553 7.986) 11.669 8.027 ( -9.693 -1.095 -4.868) 10.902 8.155 ( 6.035 2.448 6.582) 9.260 8.364 ( -3.085 11.230 -1.644) 11.761 8.616 ( -1.336 0.327 -4.411) 4.621 8.711 ( -8.365 7.052 -5.988) 12.473 8.790 ( -14.054 -6.533 2.365) 15.678 9.024 ( -1.206 -3.214 -4.216) 5.436 9.417 ( 1.593 0.558 6.342) 6.563 9.736 ( -7.439 -0.316 0.414) 7.457 9.836 ( -2.341 2.089 3.150) 4.446 9.944 ( -0.169 1.778 2.931) 3.432 10.049 ( 6.595 -3.967 -3.233) 8.348 10.092 ( -0.965 -3.220 5.087) 6.097 10.349 ( -1.920 -2.442 -5.279) 6.126 10.464 ( 9.389 1.795 1.461) 9.670 10.697 ( -6.482 2.692 -2.868) 7.582 10.796 ( -2.889 -8.030 -0.596) 8.554 10.897 ( -2.077 -4.525 1.918) 5.336 11.144 ( -9.186 -7.311 -6.624) 13.480 11.232 ( 3.034 -0.104 -1.706) 3.482 11.426 ( -0.932 -1.972 -2.044) 2.989 11.442 ( -10.523 1.673 1.942) 10.831 11.500 ( 0.596 2.269 1.132) 2.604 11.630 ( -5.263 -2.671 -2.609) 6.453 11.730 ( -6.531 1.351 -0.077) 6.669 12.013 ( 1.361 2.727 3.763) 4.842 12.075 ( 9.464 4.950 5.106) 11.838 12.229 ( -3.725 2.668 -4.156) 6.186 12.336 ( 8.814 -2.336 -2.103) 9.357 12.408 ( -3.987 -5.956 -0.505) 7.185 12.448 ( 2.313 -3.756 -1.585) 4.687 12.494 ( 4.351 0.259 0.473) 4.385 12.760 ( -6.746 2.335 3.615) 8.002 12.909 ( 1.028 1.726 -1.681) 2.619 13.032 ( -4.618 4.174 1.854) 6.495 13.132 ( 4.165 0.778 3.612) 5.568 13.275 ( 4.151 -7.254 -3.008) 8.882 13.406 ( 2.841 -5.743 0.638) 6.439 13.658 ( -1.796 -2.081 1.421) 3.094 13.746 ( 0.533 0.633 -0.577) 1.009 13.867 ( 1.744 3.467 3.937) 5.528 13.987 ( -4.734 2.472 0.961) 5.426 14.232 ( 1.790 6.677 -0.782) 6.957 14.261 ( 0.344 1.965 1.825) 2.704 14.419 ( 7.253 7.484 -0.876) 10.459 14.504 ( 2.686 3.663 -0.945) 4.640 14.640 ( 14.126 -2.318 -3.585) 14.757 14.804 ( 3.536 1.525 -1.511) 4.137 14.836 ( 3.462 2.027 -2.360) 4.655 15.061 ( 4.365 -6.605 -2.856) 8.417 15.252 ( 2.144 4.920 -1.263) 5.514 15.474 ( 8.296 6.680 -0.702) 10.674 15.592 ( 3.402 5.465 1.508) 6.611 15.816 ( 9.069 4.084 2.146) 10.175 16.945 ( 0.302 -2.198 0.092) 2.221 17.049 ( 1.647 2.777 -0.297) 3.243 17.911 ( -7.606 -5.320 -2.062) 9.508 18.137 ( -0.177 -8.103 -0.234) 8.108 18.850 ( -4.145 8.783 0.698) 9.737 18.964 ( 1.841 4.343 1.237) 4.876 21.950 ( -11.409 -2.196 -1.895) 11.772 22.342 ( 7.173 5.526 9.679) 13.254 23.082 ( -4.003 2.646 -5.273) 7.130 23.408 ( 13.647 -1.566 -0.387) 13.742 ======================= Grid point 163 (75/141) ======================= q-point: (-0.20 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.952 ( -24.527 -10.899 4.516) 27.217 3.150 ( -28.100 7.113 -4.820) 29.384 3.384 ( -24.617 -0.338 -5.819) 25.298 3.850 ( -9.318 -3.592 3.410) 10.553 4.012 ( 6.523 8.637 10.053) 14.772 4.268 ( 1.198 -15.416 3.963) 15.963 4.477 ( -2.216 -3.619 -0.908) 4.339 4.776 ( -6.107 3.523 7.920) 10.603 4.836 ( -2.764 2.973 -1.937) 4.498 4.896 ( 2.620 -5.916 -6.092) 8.886 5.086 ( -12.551 -2.711 -2.958) 13.177 5.198 ( 1.121 -3.593 -3.365) 5.049 5.215 ( -9.563 -14.829 3.000) 17.898 5.494 ( -4.584 0.415 -0.259) 4.610 5.851 ( -0.760 -4.437 3.310) 5.587 6.261 ( 2.249 7.620 3.232) 8.577 6.298 ( -0.691 -5.121 -3.266) 6.113 6.446 ( 0.780 -11.792 -5.479) 13.026 6.757 ( 1.463 -4.298 0.826) 4.615 6.922 ( 0.362 -3.761 -2.215) 4.380 7.003 ( 0.277 -7.259 -0.447) 7.278 7.115 ( -5.728 2.959 4.036) 7.606 7.262 ( -2.743 -6.027 -0.798) 6.670 7.431 ( -7.799 -7.887 0.720) 11.115 7.684 ( -3.773 3.810 -0.014) 5.362 7.882 ( -3.467 6.014 -8.642) 11.085 8.109 ( 3.001 5.657 -1.148) 6.505 8.172 ( -0.664 -3.363 9.230) 9.846 8.243 ( 3.791 0.754 -3.402) 5.149 8.521 ( -3.792 -3.884 0.341) 5.439 8.762 ( 6.243 -2.196 -1.310) 6.747 8.830 ( -12.702 -16.062 0.403) 20.481 9.112 ( 3.224 -5.792 -3.547) 7.518 9.429 ( 4.897 3.632 5.180) 8.000 9.632 ( -8.366 2.284 -2.260) 8.962 9.755 ( -3.660 4.228 1.006) 5.682 9.895 ( -0.600 3.100 2.903) 4.289 10.101 ( -1.080 -3.454 6.675) 7.593 10.167 ( -1.540 -5.113 0.888) 5.413 10.415 ( 0.818 -0.748 -3.639) 3.804 10.501 ( 8.177 1.562 -1.859) 8.530 10.638 ( -1.299 -0.427 0.610) 1.497 10.794 ( -4.711 2.435 -2.594) 5.904 10.978 ( 1.611 -4.496 3.703) 6.043 11.194 ( -11.072 -5.584 -5.268) 13.473 11.271 ( -6.721 2.903 -2.985) 7.906 11.283 ( -6.540 -6.241 0.214) 9.043 11.454 ( -3.096 -1.513 0.346) 3.463 11.491 ( -2.868 -2.454 -1.311) 3.996 11.623 ( 0.721 1.017 1.884) 2.259 11.710 ( -2.008 -5.578 2.068) 6.279 11.999 ( 7.160 3.587 0.069) 8.009 12.070 ( 2.591 2.265 2.769) 4.417 12.121 ( -3.365 4.899 -4.297) 7.334 12.348 ( 0.220 3.491 -2.885) 4.534 12.454 ( 1.589 -1.728 2.929) 3.753 12.531 ( 1.242 -3.758 -0.124) 3.960 12.622 ( 3.252 -6.212 -0.139) 7.013 12.662 ( -3.961 3.767 1.220) 5.601 12.767 ( -6.995 5.232 -3.003) 9.237 13.010 ( 2.351 -0.431 0.102) 2.392 13.141 ( 3.574 3.149 3.969) 6.201 13.416 ( 0.726 -5.571 -0.571) 5.647 13.496 ( -1.801 -2.491 -1.146) 3.281 13.670 ( 6.870 1.576 2.965) 7.647 13.790 ( -0.439 1.774 2.561) 3.147 13.858 ( -7.540 -3.622 1.079) 8.434 13.915 ( -0.715 -3.209 -0.158) 3.292 14.155 ( 4.561 4.570 -2.122) 6.797 14.236 ( 2.001 3.499 1.587) 4.332 14.364 ( 7.775 6.870 0.912) 10.415 14.467 ( 4.369 4.745 0.434) 6.464 14.737 ( 13.567 6.939 -6.314) 16.495 14.821 ( -0.669 -0.689 2.669) 2.837 14.863 ( 6.273 -3.199 -4.022) 8.109 15.174 ( 2.823 -2.489 -2.616) 4.583 15.208 ( 2.840 3.718 -0.763) 4.741 15.474 ( 11.436 2.482 -0.520) 11.714 15.509 ( 3.569 9.942 -0.278) 10.567 15.795 ( 6.240 7.776 2.810) 10.359 16.959 ( 1.311 -0.121 1.034) 1.674 17.141 ( 5.572 -8.265 -1.863) 10.140 17.923 ( -8.652 -5.990 -1.011) 10.571 18.238 ( -3.667 -5.366 0.611) 6.528 18.633 ( -3.520 12.119 0.017) 12.620 18.914 ( 2.412 3.872 1.193) 4.716 21.861 ( -13.641 -2.462 -3.667) 14.338 22.301 ( 6.124 9.192 14.159) 17.957 23.022 ( -1.925 -0.533 -7.795) 8.046 23.583 ( 14.080 -2.750 -0.796) 14.368 ======================= Grid point 164 (76/141) ======================= q-point: (-0.10 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.644 ( -23.029 7.762 -4.149) 24.653 3.069 ( -17.192 -9.948 -3.669) 20.199 3.134 ( -14.883 -2.779 -5.371) 16.065 3.804 ( -3.814 1.766 8.730) 9.690 3.974 ( 8.356 7.389 7.239) 13.298 4.449 ( -2.823 -2.615 0.008) 3.848 4.521 ( -2.004 -3.330 1.922) 4.336 4.576 ( -6.503 7.327 2.368) 10.079 4.808 ( 12.089 6.971 -1.478) 14.033 4.936 ( -8.691 -3.673 -3.129) 9.941 5.036 ( -13.842 -6.645 0.383) 15.359 5.309 ( 5.248 -5.671 -0.520) 7.744 5.391 ( -10.223 -13.195 0.251) 16.694 5.535 ( 2.284 -6.479 8.964) 11.294 5.921 ( 0.167 -3.562 2.083) 4.129 6.178 ( 2.196 4.678 4.110) 6.603 6.355 ( 2.719 -0.738 -4.281) 5.125 6.635 ( -0.974 -9.401 -2.757) 9.846 6.806 ( -0.566 2.300 -4.100) 4.735 6.905 ( -2.225 -2.435 -0.988) 3.443 7.019 ( -4.667 2.055 8.269) 9.715 7.095 ( -0.784 -2.706 -4.624) 5.415 7.304 ( -7.541 3.292 -1.947) 8.456 7.433 ( -1.897 -4.988 1.008) 5.431 7.617 ( -0.067 -2.465 -5.262) 5.811 7.768 ( -0.843 5.515 -3.471) 6.571 8.075 ( 0.600 -1.994 -5.339) 5.731 8.093 ( -4.288 1.794 -6.018) 7.604 8.374 ( 1.266 -3.009 4.763) 5.774 8.616 ( 0.998 -7.016 0.744) 7.125 8.854 ( -1.773 -7.229 5.939) 9.523 9.024 ( 6.073 -3.296 -1.697) 7.115 9.183 ( -2.070 -4.437 0.623) 4.936 9.373 ( 1.240 6.158 1.102) 6.378 9.580 ( 1.615 -0.781 -0.581) 1.886 9.655 ( -3.310 3.309 0.602) 4.719 9.878 ( 1.501 0.261 0.799) 1.720 10.202 ( -3.233 -4.283 3.023) 6.159 10.233 ( 3.187 -6.376 1.305) 7.246 10.396 ( -0.911 -1.502 1.262) 2.163 10.537 ( 8.635 5.575 -5.550) 11.681 10.584 ( -3.766 2.811 0.500) 4.726 10.728 ( -5.761 2.446 1.472) 6.429 10.934 ( -7.230 3.722 -4.797) 9.441 11.136 ( 4.628 5.332 -3.317) 7.800 11.230 ( -7.218 -5.520 4.645) 10.205 11.311 ( -7.324 -3.030 2.711) 8.377 11.459 ( -11.113 -7.914 -2.875) 13.942 11.535 ( -2.278 -6.388 -1.658) 6.982 11.626 ( 7.664 3.872 6.076) 10.519 11.826 ( 1.167 -3.741 1.481) 4.189 11.943 ( 0.989 6.450 1.316) 6.656 12.019 ( -2.843 -1.403 -3.522) 4.739 12.172 ( 5.269 -7.017 -0.202) 8.777 12.284 ( -2.162 1.455 -2.603) 3.683 12.480 ( -2.603 0.476 1.292) 2.945 12.520 ( -2.668 6.854 -0.788) 7.397 12.568 ( -1.236 5.486 1.290) 5.769 12.639 ( 5.103 -3.881 -0.607) 6.440 12.802 ( 3.123 -2.738 -0.972) 4.265 13.018 ( 0.747 0.479 -2.279) 2.446 13.140 ( 4.467 1.834 1.132) 4.959 13.458 ( -5.269 -3.619 3.927) 7.502 13.501 ( -1.325 -0.202 -3.432) 3.684 13.684 ( -4.507 6.588 6.730) 10.440 13.738 ( 3.863 0.993 -1.244) 4.178 13.782 ( 1.381 0.867 -0.721) 1.783 14.077 ( -3.879 -7.759 0.595) 8.695 14.134 ( -1.515 -1.487 -4.965) 5.400 14.221 ( 1.566 -1.475 -0.785) 2.289 14.353 ( 7.063 4.269 3.337) 8.902 14.437 ( 8.119 4.945 1.900) 9.695 14.702 ( 9.851 8.391 -4.361) 13.655 14.839 ( -2.466 -2.790 3.265) 4.953 14.986 ( 4.612 -4.559 -4.395) 7.834 15.156 ( 0.659 2.992 0.333) 3.081 15.227 ( 1.292 0.678 -3.836) 4.104 15.337 ( 0.027 8.006 1.372) 8.123 15.574 ( 10.478 0.880 -0.044) 10.515 15.700 ( 3.010 8.472 3.161) 9.531 17.024 ( 3.428 -4.594 -2.068) 6.094 17.340 ( 5.474 -7.376 0.461) 9.197 17.943 ( -6.226 -4.488 1.278) 7.781 18.239 ( -8.041 -1.956 0.237) 8.279 18.407 ( 0.911 11.871 -1.396) 11.988 18.896 ( 1.810 1.134 1.410) 2.560 21.772 ( -12.244 -3.138 -5.137) 13.644 22.221 ( 7.685 10.628 15.499) 20.304 23.025 ( -2.024 -3.112 -8.543) 9.315 23.740 ( 9.195 -2.094 -0.721) 9.458 ======================= Grid point 171 (77/141) ======================= q-point: (-0.40 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.643 ( -17.881 0.000 5.817) 18.803 2.744 ( -25.720 0.000 15.181) 29.866 3.278 ( 4.368 -0.000 7.732) 8.880 4.032 ( -19.458 0.000 0.051) 19.458 4.124 ( -11.877 0.000 -5.589) 13.126 4.175 ( 0.875 -0.000 -1.406) 1.656 4.449 ( -7.444 0.000 0.273) 7.449 4.502 ( -10.925 0.000 -3.108) 11.359 4.817 ( -17.442 0.000 -4.173) 17.935 4.926 ( -27.082 0.000 0.524) 27.087 5.009 ( -0.931 0.000 -4.272) 4.372 5.040 ( 8.280 -0.000 0.115) 8.281 5.326 ( 2.179 -0.000 -1.920) 2.904 5.466 ( 6.455 -0.000 -8.002) 10.281 5.916 ( -10.832 0.000 1.296) 10.909 5.931 ( -4.166 0.000 -2.788) 5.013 6.270 ( -19.014 0.000 4.222) 19.477 6.424 ( 8.423 -0.000 -1.337) 8.529 6.427 ( 4.145 -0.000 7.473) 8.545 6.635 ( 3.390 -0.000 -14.167) 14.567 6.814 ( 4.523 -0.000 -7.906) 9.108 7.033 ( 2.239 -0.000 2.379) 3.266 7.245 ( -2.113 0.000 4.016) 4.538 7.272 ( -4.191 0.000 17.764) 18.252 7.441 ( 11.127 -0.000 5.896) 12.592 7.910 ( 7.204 -0.000 5.830) 9.268 8.002 ( -12.781 0.000 -4.301) 13.485 8.144 ( 6.000 -0.000 0.448) 6.016 8.515 ( -20.161 0.000 8.510) 21.883 8.664 ( -11.850 0.000 -6.785) 13.655 8.789 ( -3.656 0.000 -0.400) 3.678 8.826 ( 0.783 -0.000 -8.467) 8.504 9.245 ( -0.593 0.000 0.244) 0.641 9.341 ( -3.551 0.000 5.855) 6.848 9.713 ( 6.634 -0.000 -3.067) 7.309 9.763 ( -9.745 0.000 1.063) 9.803 9.887 ( -3.575 0.000 4.099) 5.439 10.000 ( 2.950 -0.000 -5.346) 6.106 10.026 ( 1.123 -0.000 2.143) 2.419 10.345 ( -2.357 0.000 -5.628) 6.102 10.496 ( 8.493 -0.000 -1.634) 8.648 10.585 ( -1.908 0.000 2.287) 2.978 10.655 ( 1.300 -0.000 2.595) 2.902 10.876 ( -10.750 0.000 -3.664) 11.357 11.145 ( -15.173 0.000 -1.783) 15.277 11.154 ( -9.599 0.000 -3.778) 10.315 11.386 ( 1.850 -0.000 0.030) 1.850 11.464 ( -5.954 0.000 3.807) 7.067 11.566 ( -1.827 0.000 -4.124) 4.511 11.624 ( -6.514 0.000 0.431) 6.528 11.715 ( -3.968 0.000 -2.042) 4.463 11.921 ( -3.124 0.000 7.197) 7.846 12.168 ( 7.801 -0.000 -0.163) 7.802 12.246 ( 9.569 -0.000 5.615) 11.095 12.335 ( 3.347 -0.000 0.573) 3.396 12.356 ( 2.424 -0.000 -4.197) 4.847 12.398 ( -2.602 0.000 -2.215) 3.418 12.522 ( 6.654 -0.000 -0.654) 6.686 12.867 ( -2.696 0.000 -1.135) 2.925 12.872 ( 4.222 -0.000 0.655) 4.273 13.070 ( -1.327 0.000 2.875) 3.166 13.095 ( 9.503 -0.000 1.661) 9.647 13.176 ( 6.797 -0.000 1.369) 6.933 13.382 ( 3.515 -0.000 -8.039) 8.774 13.569 ( -13.010 0.000 2.041) 13.169 13.763 ( -5.511 0.000 0.914) 5.586 13.930 ( -1.351 0.000 6.563) 6.701 14.116 ( 0.311 -0.000 -1.822) 1.848 14.277 ( -1.720 0.000 5.683) 5.937 14.445 ( 11.426 -0.000 -3.240) 11.877 14.456 ( 5.998 -0.000 -1.669) 6.226 14.568 ( 2.724 -0.000 1.047) 2.918 14.602 ( 9.019 -0.000 -1.550) 9.152 14.839 ( 5.210 -0.000 -2.125) 5.627 14.850 ( 6.195 -0.000 -1.451) 6.362 14.933 ( 8.332 -0.000 -6.723) 10.706 15.438 ( 2.545 -0.000 -2.047) 3.266 15.441 ( 1.332 -0.000 -0.188) 1.345 15.796 ( 14.458 -0.000 3.076) 14.782 15.879 ( 7.071 -0.000 1.777) 7.291 16.918 ( -1.877 0.000 1.614) 2.475 17.159 ( -0.182 0.000 0.717) 0.740 17.828 ( -4.124 0.000 -2.480) 4.812 17.932 ( -0.802 0.000 -2.591) 2.712 19.009 ( -3.726 0.000 -0.286) 3.737 19.031 ( 0.568 -0.000 2.628) 2.689 21.915 ( -9.677 0.000 -1.822) 9.847 22.425 ( 8.642 -0.000 6.580) 10.862 23.169 ( -1.875 0.000 -4.586) 4.955 23.377 ( 9.972 -0.000 1.918) 10.155 ======================= Grid point 172 (78/141) ======================= q-point: (-0.30 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.561 ( -28.743 -7.840 13.814) 32.840 2.672 ( -23.026 -22.231 5.218) 32.428 3.455 ( -0.057 -12.539 4.642) 13.371 3.669 ( -24.078 9.325 -2.420) 25.934 4.064 ( -11.984 -2.856 -2.746) 12.622 4.186 ( -21.572 -2.443 -1.669) 21.774 4.236 ( -8.950 1.880 3.242) 9.703 4.480 ( -10.565 -8.226 -3.088) 13.741 4.669 ( -7.836 -0.562 2.974) 8.401 4.752 ( -31.394 -10.700 -1.792) 33.216 5.006 ( -3.223 -3.944 -5.899) 7.793 5.121 ( 3.669 -0.716 1.857) 4.174 5.272 ( 9.250 8.617 -5.350) 13.727 5.500 ( -0.920 1.402 1.561) 2.292 5.792 ( -7.044 -0.104 -0.390) 7.056 6.022 ( -4.019 -11.348 -2.743) 12.347 6.138 ( -15.083 -4.303 1.334) 15.742 6.408 ( 5.117 2.515 1.617) 5.927 6.581 ( 3.691 -5.095 1.819) 6.549 6.670 ( 1.214 -5.149 -15.592) 16.465 6.892 ( 5.571 -4.375 -3.940) 8.105 7.070 ( -0.984 -2.447 3.464) 4.354 7.176 ( -3.599 1.945 2.316) 4.701 7.267 ( -2.796 1.225 13.930) 14.260 7.652 ( 9.243 -7.655 2.419) 12.243 7.843 ( -14.975 -1.100 -1.797) 15.122 7.989 ( 1.852 -1.629 0.549) 2.527 8.254 ( 7.456 -4.356 4.985) 9.971 8.363 ( -16.652 -1.516 5.881) 17.725 8.482 ( -7.611 7.257 -0.112) 10.517 8.705 ( 0.270 0.857 -7.427) 7.481 8.864 ( -6.604 3.276 -1.101) 7.454 8.996 ( -0.218 10.942 -5.375) 12.193 9.419 ( -0.695 -4.064 6.115) 7.376 9.667 ( -7.766 0.023 2.079) 8.039 9.847 ( -2.534 2.175 4.902) 5.931 9.884 ( 0.442 -9.607 -3.491) 10.231 10.047 ( 2.159 -0.794 1.198) 2.594 10.061 ( 5.252 -3.294 -0.806) 6.252 10.270 ( -7.022 0.940 -4.708) 8.507 10.567 ( 6.975 -0.178 -2.490) 7.408 10.621 ( -4.257 -4.598 0.903) 6.331 10.700 ( -11.595 0.074 -1.599) 11.705 10.723 ( -0.063 -3.760 2.327) 4.423 11.043 ( -6.991 -0.227 -4.007) 8.061 11.089 ( -15.726 -5.740 -0.703) 16.755 11.334 ( -6.721 1.768 2.012) 7.235 11.409 ( -4.689 0.287 -1.458) 4.919 11.544 ( -2.877 -1.413 -4.562) 5.575 11.586 ( 0.257 1.081 3.518) 3.689 11.679 ( -4.987 -1.037 -2.043) 5.488 11.977 ( -1.711 -6.233 6.856) 9.422 12.208 ( 1.591 2.758 -2.751) 4.208 12.242 ( 1.991 2.012 1.388) 3.153 12.295 ( -7.008 -0.658 -1.129) 7.129 12.413 ( 5.201 0.374 -3.535) 6.300 12.451 ( 6.497 -0.602 3.024) 7.192 12.583 ( 9.182 1.512 0.285) 9.310 12.778 ( -0.179 5.198 2.041) 5.587 12.955 ( -0.692 -0.552 -3.298) 3.415 13.046 ( -0.753 1.947 3.384) 3.976 13.165 ( 5.186 0.813 0.852) 5.318 13.274 ( 9.832 -2.322 -0.781) 10.133 13.381 ( 2.669 0.240 -2.821) 3.891 13.523 ( -5.250 -4.916 -0.751) 7.231 13.728 ( -5.467 -2.186 -0.066) 5.889 13.913 ( -1.436 1.230 8.334) 8.546 14.075 ( 2.978 6.088 -1.200) 6.883 14.288 ( 1.305 -0.471 2.776) 3.104 14.422 ( 11.129 8.211 -1.018) 13.867 14.557 ( 0.680 1.428 -2.081) 2.614 14.586 ( 5.314 3.961 3.296) 7.402 14.701 ( 13.180 -3.015 -1.348) 13.588 14.884 ( 8.302 0.827 -1.448) 8.467 14.947 ( 5.219 -1.424 -11.353) 12.576 15.007 ( 10.187 -0.962 -0.469) 10.243 15.374 ( 5.007 5.558 -2.807) 7.989 15.558 ( 6.449 -3.650 -1.344) 7.531 15.817 ( 9.184 10.908 4.498) 14.952 15.987 ( 14.480 1.263 3.293) 14.904 16.912 ( 0.029 -1.064 -0.389) 1.133 17.124 ( -0.246 3.498 1.183) 3.701 17.780 ( -6.311 -1.152 -3.198) 7.169 17.990 ( -1.867 -7.469 -1.221) 7.795 18.927 ( -4.178 4.918 0.147) 6.454 19.024 ( -0.145 1.626 2.031) 2.606 21.814 ( -11.575 -0.437 -2.950) 11.953 22.499 ( 7.669 2.525 11.145) 13.762 23.105 ( -1.530 4.089 -7.602) 8.766 23.512 ( 13.617 -1.947 1.745) 13.866 ======================= Grid point 173 (79/141) ======================= q-point: (-0.20 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.491 ( -27.916 -14.045 11.399) 33.264 2.802 ( -32.208 -15.423 4.121) 35.947 3.165 ( -24.829 7.521 -10.223) 27.884 3.694 ( -13.471 -3.625 1.758) 14.061 3.962 ( -6.199 -16.541 4.942) 18.343 4.141 ( -2.492 0.682 6.438) 6.937 4.247 ( -18.124 -17.185 -0.907) 24.992 4.500 ( -19.308 -9.633 0.326) 21.580 4.631 ( -16.535 -4.656 9.768) 19.761 4.720 ( -10.765 -15.063 -9.464) 20.793 4.997 ( -9.428 -1.025 -1.011) 9.537 5.149 ( 2.910 0.004 -1.043) 3.091 5.196 ( 2.794 7.513 -6.902) 10.578 5.456 ( 0.725 0.387 3.534) 3.629 5.818 ( 2.213 -1.967 4.858) 5.689 6.114 ( -8.950 -11.859 2.012) 14.993 6.177 ( -4.622 -7.959 -6.738) 11.406 6.447 ( 5.740 -0.317 -1.853) 6.040 6.684 ( 1.165 -5.053 1.221) 5.327 6.776 ( -0.791 -9.451 -13.923) 16.846 6.969 ( 3.777 1.786 4.370) 6.046 7.068 ( -7.901 0.157 -2.019) 8.156 7.192 ( -3.952 -7.081 -2.196) 8.401 7.241 ( -1.809 -1.954 11.827) 12.123 7.699 ( -4.408 2.171 0.957) 5.006 7.853 ( -4.285 -6.253 -6.648) 10.082 8.055 ( -3.415 -8.249 2.662) 9.317 8.190 ( -17.152 3.559 9.719) 20.033 8.241 ( 2.245 7.179 -6.902) 10.209 8.556 ( 2.003 2.044 1.072) 3.056 8.589 ( 2.897 -0.287 0.936) 3.058 8.758 ( 5.516 -4.436 -0.753) 7.119 9.022 ( 2.508 -5.866 -5.341) 8.320 9.492 ( 1.720 -3.317 3.143) 4.883 9.590 ( -6.952 1.153 -0.023) 7.047 9.781 ( -2.426 3.875 4.056) 6.111 9.929 ( -3.255 1.634 3.394) 4.979 10.061 ( -3.627 1.089 1.460) 4.059 10.093 ( 0.428 -2.574 0.725) 2.709 10.348 ( 1.622 -7.925 -2.249) 8.396 10.555 ( -4.084 -1.250 0.747) 4.336 10.621 ( 4.729 0.332 -2.014) 5.150 10.711 ( -5.183 -6.519 -5.483) 9.971 10.854 ( -8.849 -11.923 -0.521) 14.857 10.961 ( -2.739 1.249 1.987) 3.607 11.025 ( -16.687 -4.714 -3.109) 17.617 11.239 ( -11.329 -1.370 0.147) 11.413 11.396 ( -2.470 -2.848 -0.691) 3.833 11.516 ( -0.711 2.088 -2.744) 3.521 11.602 ( -1.606 -2.656 5.008) 5.891 11.664 ( -0.432 -1.421 -2.403) 2.825 12.064 ( 0.324 -2.647 6.462) 6.990 12.104 ( -6.073 4.726 -2.738) 8.168 12.214 ( 2.751 4.323 -2.656) 5.771 12.296 ( -8.247 -4.613 4.460) 10.450 12.454 ( 3.084 -3.607 -2.749) 5.484 12.493 ( 4.680 2.020 0.557) 5.128 12.612 ( 2.952 1.265 0.512) 3.252 12.727 ( 5.236 4.582 3.421) 7.753 12.848 ( -0.951 6.817 -4.063) 7.993 13.053 ( 4.406 1.649 1.698) 5.001 13.189 ( 0.106 -0.378 0.628) 0.741 13.390 ( 7.323 -1.571 -7.714) 10.751 13.432 ( 0.607 -1.747 -0.157) 1.856 13.572 ( -4.666 -5.998 0.007) 7.599 13.741 ( -1.499 -4.441 0.729) 4.743 13.896 ( 0.927 3.228 11.435) 11.918 13.984 ( 3.465 7.619 -0.951) 8.424 14.285 ( 1.701 3.679 -1.967) 4.505 14.395 ( 12.117 8.313 0.931) 14.724 14.524 ( 1.100 3.614 2.449) 4.502 14.554 ( 4.090 3.704 1.254) 5.659 14.853 ( 9.393 -0.954 -0.939) 9.488 14.908 ( 6.123 4.223 -7.342) 10.452 14.972 ( 12.206 3.886 -3.813) 13.365 15.156 ( 5.519 -4.289 -3.416) 7.780 15.341 ( 7.448 5.461 -2.967) 9.700 15.648 ( 9.273 2.653 1.000) 9.697 15.715 ( 8.799 10.024 1.750) 13.453 16.043 ( 12.657 9.469 4.388) 16.405 16.970 ( 2.118 -2.101 0.562) 3.036 17.089 ( 3.106 -1.685 -0.599) 3.584 17.743 ( -8.629 -3.875 -2.957) 9.910 18.095 ( -3.975 -7.392 -0.142) 8.394 18.775 ( -3.289 8.499 0.276) 9.118 18.984 ( -0.431 2.915 1.270) 3.209 21.696 ( -13.515 -0.864 -3.142) 13.903 22.522 ( 7.233 6.185 16.534) 19.077 23.010 ( -0.935 2.743 -12.061) 12.405 23.686 ( 14.306 -1.671 0.938) 14.433 ======================= Grid point 174 (80/141) ======================= q-point: (-0.10 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.455 ( -26.597 -3.912 6.252) 27.600 2.640 ( -23.692 -13.884 -0.477) 27.465 2.916 ( -18.486 -2.935 -8.011) 20.360 3.687 ( -8.301 -7.728 5.150) 12.456 4.092 ( -2.876 -2.236 6.286) 7.266 4.250 ( -7.396 -13.883 1.244) 15.779 4.380 ( -10.197 -10.654 -8.769) 17.158 4.514 ( -18.342 -14.992 10.638) 25.968 4.592 ( -12.347 -6.816 4.700) 14.865 4.826 ( -6.464 1.025 -2.424) 6.980 4.958 ( -12.478 -16.175 1.584) 20.490 5.060 ( -0.592 4.904 -4.665) 6.794 5.249 ( 3.782 -8.613 -0.814) 9.442 5.527 ( 6.243 -1.825 4.654) 7.998 5.848 ( 0.865 -0.673 3.106) 3.294 6.193 ( -4.934 -2.597 -3.154) 6.406 6.340 ( 0.189 -14.538 3.660) 14.993 6.496 ( 3.977 -0.932 -6.274) 7.487 6.782 ( 0.048 -3.361 2.704) 4.314 6.841 ( -5.485 -2.557 -12.033) 13.469 6.952 ( -6.846 -1.693 11.613) 13.587 7.021 ( -0.920 -3.056 -3.880) 5.024 7.226 ( -1.004 -3.889 -5.074) 6.471 7.338 ( -2.621 -4.755 2.834) 6.125 7.627 ( -0.622 3.243 2.043) 3.883 7.805 ( -1.568 2.929 -9.951) 10.491 8.003 ( -15.340 1.147 6.889) 16.855 8.112 ( -0.478 2.283 -9.364) 9.650 8.270 ( -11.138 -16.190 0.660) 19.662 8.423 ( 6.547 2.986 -0.500) 7.213 8.821 ( 6.557 -4.495 4.632) 9.201 8.970 ( 11.478 -10.609 3.266) 15.967 9.133 ( 0.782 -3.557 -2.791) 4.589 9.474 ( -2.677 4.898 -1.995) 5.927 9.588 ( 1.672 -3.944 -2.032) 4.742 9.696 ( -0.285 5.072 4.773) 6.970 9.880 ( -1.286 -0.339 2.342) 2.693 10.084 ( -1.363 -5.555 4.188) 7.089 10.142 ( -1.155 -3.848 -0.501) 4.048 10.374 ( -1.665 -0.641 1.422) 2.282 10.589 ( -5.367 1.059 -3.015) 6.246 10.658 ( 2.207 0.753 -1.129) 2.591 10.682 ( -3.638 0.803 1.248) 3.929 10.844 ( -9.037 -3.112 -6.438) 11.524 10.975 ( -17.203 -12.341 -3.456) 21.452 11.075 ( 1.098 -7.704 7.872) 11.069 11.177 ( -8.254 -3.226 -8.447) 12.243 11.412 ( -1.919 -1.302 1.324) 2.671 11.493 ( 2.331 0.270 0.299) 2.366 11.655 ( 0.052 -3.282 9.005) 9.585 11.718 ( -0.248 -5.424 -2.141) 5.837 11.944 ( -8.918 3.776 -1.611) 9.818 12.077 ( -4.638 0.496 3.578) 5.879 12.188 ( 8.720 3.803 -0.683) 9.538 12.271 ( -4.017 -1.455 0.004) 4.273 12.464 ( -1.371 3.440 0.307) 3.716 12.597 ( 2.951 -5.226 5.489) 8.133 12.640 ( 0.807 0.640 0.379) 1.098 12.718 ( 2.282 -1.598 -3.768) 4.686 12.733 ( 8.315 8.926 -2.950) 12.551 13.068 ( 4.331 2.161 -0.827) 4.910 13.185 ( -1.004 0.146 -0.591) 1.174 13.397 ( -2.952 2.384 0.813) 3.881 13.450 ( -0.432 -3.371 -7.787) 8.496 13.624 ( -6.328 -5.855 -0.920) 8.670 13.816 ( 3.614 6.575 11.718) 13.914 13.866 ( 1.556 -2.322 2.534) 3.773 13.904 ( 0.536 1.911 -1.311) 2.379 14.191 ( -1.085 6.771 -4.865) 8.408 14.367 ( 9.122 7.933 1.287) 12.157 14.508 ( 5.969 2.704 3.659) 7.505 14.539 ( 3.445 2.041 1.240) 4.192 14.824 ( 2.848 5.370 -5.121) 7.948 14.968 ( 9.253 4.393 -4.296) 11.108 15.007 ( 8.346 1.779 1.154) 8.611 15.201 ( 1.363 0.022 -4.426) 4.631 15.284 ( 5.832 8.427 1.100) 10.307 15.586 ( 3.712 13.639 1.649) 14.231 15.734 ( 14.931 2.597 -2.586) 15.374 15.946 ( 7.845 13.537 4.273) 16.219 16.995 ( 2.383 -1.662 0.385) 2.931 17.265 ( 6.957 -8.552 -0.562) 11.039 17.750 ( -8.398 -7.784 -1.024) 11.496 18.133 ( -6.786 -3.142 -0.314) 7.484 18.600 ( 0.126 10.010 -0.007) 10.011 18.934 ( -0.656 2.360 0.712) 2.551 21.593 ( -12.453 -3.028 -2.742) 13.106 22.498 ( 8.903 9.109 18.512) 22.471 22.962 ( -0.982 -0.487 -14.459) 14.500 23.819 ( 9.747 0.399 0.279) 9.759 ======================= Grid point 182 (81/141) ======================= q-point: (-0.30 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( -33.087 0.000 17.280) 37.328 2.229 ( -26.814 0.000 7.000) 27.712 3.349 ( -0.262 0.000 4.119) 4.127 3.543 ( -29.791 0.000 0.129) 29.792 3.729 ( -27.227 0.000 -4.825) 27.652 3.967 ( -21.616 0.000 -1.841) 21.694 4.199 ( -38.600 0.000 -1.744) 38.639 4.263 ( -10.311 0.000 -3.592) 10.919 4.272 ( -18.314 0.000 0.746) 18.329 4.621 ( -6.112 0.000 6.972) 9.272 4.935 ( -1.679 0.000 -6.481) 6.695 5.148 ( 0.362 -0.000 4.964) 4.977 5.394 ( 4.098 -0.000 1.003) 4.219 5.585 ( 2.913 -0.000 4.161) 5.079 5.663 ( -12.778 0.000 -6.097) 14.158 5.856 ( -1.019 0.000 -7.057) 7.131 5.993 ( -6.577 0.000 2.554) 7.056 6.503 ( 1.064 -0.000 5.528) 5.629 6.561 ( 6.608 -0.000 -1.894) 6.874 6.588 ( -2.140 0.000 -18.085) 18.212 6.861 ( 2.467 -0.000 -4.534) 5.162 7.031 ( -4.574 0.000 4.861) 6.674 7.209 ( -3.131 0.000 2.547) 4.036 7.274 ( -1.786 0.000 12.371) 12.499 7.576 ( -11.857 0.000 -4.299) 12.612 7.780 ( 5.084 -0.000 2.340) 5.596 7.945 ( -8.686 0.000 -3.511) 9.369 8.135 ( -6.218 0.000 12.416) 13.886 8.431 ( 10.836 -0.000 8.882) 14.011 8.452 ( -6.310 0.000 -7.193) 9.568 8.727 ( -2.284 0.000 0.886) 2.450 8.798 ( 0.159 -0.000 -6.099) 6.101 9.197 ( -4.315 0.000 1.705) 4.640 9.289 ( -3.915 0.000 2.060) 4.424 9.589 ( -9.218 0.000 3.374) 9.816 9.726 ( -1.367 0.000 -6.654) 6.793 9.888 ( 0.773 -0.000 7.934) 7.972 10.062 ( 4.256 -0.000 -5.111) 6.651 10.084 ( 3.764 -0.000 4.042) 5.524 10.212 ( -7.820 0.000 -7.149) 10.595 10.518 ( -5.312 0.000 1.331) 5.477 10.563 ( -5.068 0.000 -1.792) 5.376 10.657 ( -4.903 0.000 4.330) 6.541 10.689 ( -3.008 0.000 -1.883) 3.549 10.843 ( -11.477 0.000 -2.263) 11.698 11.029 ( -2.198 0.000 -0.088) 2.200 11.243 ( -15.256 0.000 0.237) 15.258 11.354 ( -5.030 0.000 -3.575) 6.171 11.459 ( -6.560 0.000 -0.771) 6.605 11.595 ( -6.490 0.000 -3.956) 7.600 11.647 ( 3.773 -0.000 3.501) 5.147 11.924 ( -0.960 0.000 10.546) 10.589 12.169 ( -12.379 0.000 0.940) 12.414 12.210 ( -3.833 0.000 -3.246) 5.023 12.300 ( 4.106 -0.000 -6.597) 7.770 12.448 ( -1.056 0.000 -1.719) 2.018 12.500 ( 6.129 -0.000 2.238) 6.525 12.719 ( 13.321 -0.000 1.380) 13.392 12.826 ( -11.221 0.000 -2.879) 11.584 12.902 ( 3.483 -0.000 6.258) 7.162 13.136 ( 10.603 -0.000 3.381) 11.129 13.278 ( 3.970 -0.000 -3.505) 5.296 13.309 ( 11.586 -0.000 0.334) 11.590 13.406 ( -4.128 0.000 3.653) 5.512 13.448 ( 5.724 -0.000 -9.987) 11.511 13.646 ( -4.735 0.000 -3.512) 5.895 13.944 ( 3.005 -0.000 12.749) 13.098 14.179 ( 6.265 -0.000 -3.360) 7.109 14.276 ( -1.942 0.000 3.924) 4.378 14.559 ( -0.146 0.000 0.863) 0.875 14.643 ( 12.130 -0.000 -2.815) 12.452 14.680 ( 9.038 -0.000 5.467) 10.563 14.846 ( 17.028 -0.000 -3.166) 17.320 14.864 ( 0.985 -0.000 -10.405) 10.452 14.972 ( 8.159 -0.000 -1.252) 8.254 15.147 ( 10.095 -0.000 -2.926) 10.510 15.525 ( 7.641 -0.000 -6.838) 10.254 15.532 ( 7.541 -0.000 0.812) 7.585 16.017 ( 5.637 -0.000 5.621) 7.961 16.167 ( 22.382 -0.000 3.842) 22.709 16.909 ( 0.947 -0.000 -0.776) 1.224 17.144 ( -1.843 0.000 1.678) 2.493 17.722 ( -5.561 0.000 -3.396) 6.516 17.886 ( -3.205 0.000 -1.929) 3.741 18.930 ( -4.004 0.000 -0.126) 4.006 19.032 ( -1.462 0.000 2.444) 2.848 21.694 ( -11.963 0.000 -3.833) 12.562 22.615 ( 7.821 -0.000 11.755) 14.119 23.123 ( -1.065 0.000 -8.648) 8.714 23.628 ( 14.514 -0.000 2.813) 14.784 ======================= Grid point 183 (82/141) ======================= q-point: (-0.20 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.016 ( -32.297 -10.070 17.998) 38.320 2.175 ( -30.655 -20.627 7.871) 37.777 3.052 ( -29.952 10.938 -5.112) 32.294 3.446 ( -23.217 -7.608 -0.364) 24.434 3.625 ( -15.594 -13.003 5.317) 20.988 3.702 ( -28.345 -11.283 0.136) 30.509 3.961 ( -33.951 -12.436 4.255) 36.406 4.129 ( -12.372 -1.810 -0.560) 12.516 4.303 ( -9.889 -12.281 -9.230) 18.270 4.574 ( -6.544 -1.118 6.458) 9.262 4.902 ( -6.128 1.127 -4.163) 7.494 5.146 ( -2.962 -0.661 6.447) 7.126 5.301 ( -6.527 6.790 -2.805) 9.827 5.557 ( 6.001 2.397 3.443) 7.322 5.715 ( -0.244 -11.835 -3.138) 12.246 5.907 ( -1.601 -2.755 0.291) 3.199 6.017 ( 0.289 -5.615 -2.761) 6.264 6.469 ( 0.562 1.583 -1.578) 2.305 6.582 ( -2.964 -6.011 -16.131) 17.468 6.669 ( 4.809 -2.916 0.658) 5.663 6.954 ( 1.989 -8.486 -1.322) 8.816 6.985 ( -8.615 -0.353 2.820) 9.072 7.123 ( -3.436 4.448 3.427) 6.583 7.255 ( -3.344 1.592 10.066) 10.725 7.503 ( -16.047 -10.210 -5.794) 19.882 7.783 ( -2.687 2.875 2.162) 4.490 7.930 ( 0.544 -3.647 -2.780) 4.618 8.135 ( -6.645 0.264 11.460) 13.250 8.344 ( -0.770 5.162 -10.895) 12.080 8.578 ( 12.143 -2.438 11.687) 17.029 8.715 ( 1.734 1.641 -1.544) 2.843 8.779 ( -0.385 4.585 3.265) 5.642 8.996 ( 2.619 3.468 -5.488) 7.000 9.373 ( -5.516 -7.030 1.276) 9.026 9.518 ( -8.502 -1.045 3.098) 9.109 9.830 ( 0.287 -5.767 5.436) 7.930 9.885 ( -1.771 0.367 3.456) 3.900 10.044 ( -6.724 1.873 -3.160) 7.662 10.113 ( 3.748 2.690 -5.451) 7.141 10.208 ( 4.808 -8.953 0.930) 10.205 10.432 ( -13.173 -0.731 -2.426) 13.415 10.532 ( -5.006 -4.334 1.099) 6.712 10.637 ( -4.459 -3.324 -0.201) 5.565 10.704 ( -0.106 -2.452 -1.714) 2.994 10.805 ( -7.752 -3.664 -2.300) 8.877 10.992 ( -0.606 2.933 2.142) 3.682 11.104 ( -14.265 -0.529 0.350) 14.280 11.312 ( -4.905 -2.167 -2.380) 5.867 11.437 ( -5.603 -4.536 0.138) 7.210 11.524 ( -6.493 -0.585 -3.602) 7.448 11.679 ( 1.422 0.289 2.796) 3.150 11.940 ( -9.789 -3.584 8.634) 13.536 12.091 ( -8.857 -4.212 3.468) 10.402 12.167 ( -1.132 1.856 -2.516) 3.325 12.300 ( 0.445 2.405 -3.655) 4.398 12.415 ( -1.698 -0.874 -4.443) 4.836 12.552 ( 1.251 -0.625 2.326) 2.714 12.669 ( -2.937 3.705 1.257) 4.892 12.859 ( -1.144 -1.030 -3.359) 3.695 12.912 ( 10.566 3.625 8.088) 13.791 13.176 ( 5.848 4.000 1.183) 7.184 13.264 ( 8.406 8.585 -2.843) 12.347 13.409 ( 0.461 -1.972 -1.713) 2.652 13.457 ( 8.448 -1.868 -6.914) 11.075 13.476 ( 1.423 -2.507 -3.602) 4.613 13.652 ( -0.194 -3.766 -1.634) 4.110 14.012 ( 8.329 2.007 15.380) 17.606 14.135 ( 1.848 7.062 -0.045) 7.300 14.302 ( -0.871 -1.382 -0.858) 1.846 14.562 ( 1.261 1.592 2.544) 3.255 14.671 ( 12.894 8.129 -2.334) 15.421 14.683 ( 3.982 5.996 -0.009) 7.198 14.899 ( 7.119 -3.700 -6.312) 10.208 15.013 ( 5.944 0.094 -0.462) 5.963 15.119 ( 14.443 -2.470 -5.729) 15.733 15.165 ( 6.344 2.917 -2.654) 7.470 15.501 ( 9.383 4.975 -5.013) 11.745 15.718 ( 9.979 -4.931 -0.547) 11.145 15.985 ( 6.394 9.731 6.534) 13.352 16.350 ( 20.128 6.916 4.293) 21.712 16.944 ( 4.282 -3.115 -1.835) 5.604 17.112 ( -1.409 1.497 1.850) 2.766 17.639 ( -6.761 1.114 -4.251) 8.064 17.924 ( -4.502 -7.415 -1.068) 8.741 18.855 ( -3.054 4.529 0.416) 5.478 19.008 ( -2.200 1.200 1.622) 2.985 21.561 ( -13.229 0.660 -3.558) 13.715 22.692 ( 7.643 2.055 11.784) 14.195 23.047 ( -1.477 4.794 -9.074) 10.369 23.798 ( 14.494 -1.876 2.194) 14.779 ======================= Grid point 184 (83/141) ======================= q-point: (-0.10 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( -25.305 -18.360 17.105) 35.638 2.155 ( -34.071 -12.856 7.462) 37.173 2.704 ( -18.046 0.529 -9.661) 20.476 3.385 ( -16.813 -17.736 4.806) 24.907 3.701 ( -33.923 -22.835 2.456) 40.966 3.847 ( -22.420 -15.283 1.209) 27.160 3.954 ( -15.051 -23.088 4.000) 27.849 4.117 ( -4.843 -8.100 0.178) 9.439 4.415 ( -8.764 -10.263 -5.244) 14.479 4.594 ( -5.471 -9.011 0.653) 10.562 4.756 ( -17.885 -1.292 -3.430) 18.256 5.089 ( -3.062 5.468 15.903) 17.094 5.232 ( 3.038 -2.004 -9.185) 9.880 5.601 ( 7.908 1.335 1.953) 8.254 5.909 ( 1.317 1.734 2.848) 3.585 5.992 ( -0.539 -19.598 -0.620) 19.615 6.080 ( -2.923 -3.487 -3.488) 5.733 6.469 ( -2.259 -2.334 -9.777) 10.302 6.670 ( -2.215 -9.010 -3.985) 10.098 6.748 ( 3.030 -2.371 -1.167) 4.020 6.898 ( -7.232 -0.018 2.124) 7.538 7.026 ( -0.686 3.587 3.987) 5.407 7.144 ( 0.487 -8.015 -2.451) 8.395 7.233 ( -2.924 -2.818 6.232) 7.439 7.582 ( -8.905 -13.000 -5.709) 16.760 7.731 ( -5.604 -1.295 2.659) 6.336 7.912 ( -1.919 6.684 -2.579) 7.417 8.027 ( -8.213 1.735 10.000) 13.056 8.234 ( 1.376 5.701 -13.271) 14.509 8.557 ( 2.391 7.203 -1.108) 7.670 8.809 ( 9.442 -7.016 9.725) 15.263 8.922 ( 9.305 -7.612 4.823) 12.954 9.074 ( 5.108 -4.900 -5.787) 9.143 9.430 ( -7.088 -5.332 -1.802) 9.051 9.490 ( -2.010 -4.360 -0.869) 4.879 9.764 ( -8.352 4.869 5.392) 11.069 9.894 ( 3.963 1.270 5.682) 7.043 10.018 ( -1.677 -3.771 0.763) 4.197 10.122 ( 3.565 1.536 -2.906) 4.849 10.310 ( -5.998 -3.053 2.050) 7.036 10.497 ( -2.537 -11.457 -3.854) 12.351 10.547 ( -9.514 -4.925 -2.578) 11.019 10.619 ( -7.094 -0.844 0.203) 7.147 10.745 ( 5.349 -0.563 -1.011) 5.473 10.760 ( -7.640 -2.227 -7.131) 10.685 10.989 ( -12.691 -2.020 -4.266) 13.541 11.001 ( 1.565 -4.103 8.347) 9.431 11.326 ( -4.264 -4.122 0.369) 5.942 11.447 ( -3.805 -2.386 -1.249) 4.662 11.552 ( -3.070 -8.582 1.806) 9.291 11.684 ( -0.985 -0.926 1.674) 2.152 11.896 ( -12.045 -3.379 2.683) 12.795 12.026 ( -6.369 5.924 5.643) 10.368 12.149 ( -5.628 -5.815 1.650) 8.259 12.301 ( 5.190 0.019 -2.623) 5.816 12.466 ( -0.708 -5.543 -0.574) 5.617 12.547 ( -1.261 0.169 2.944) 3.207 12.647 ( 1.961 0.366 2.056) 2.865 12.785 ( 0.036 4.576 -1.525) 4.823 13.003 ( 10.412 2.197 0.332) 10.646 13.137 ( 1.250 9.611 -4.019) 10.493 13.168 ( 3.629 2.269 0.002) 4.280 13.422 ( 2.120 1.478 -8.362) 8.752 13.454 ( 0.966 1.592 -2.946) 3.485 13.552 ( 1.108 0.677 0.413) 1.363 13.747 ( 1.800 -6.114 -0.695) 6.412 14.027 ( 1.248 7.330 -0.413) 7.447 14.059 ( 9.804 6.883 15.809) 19.834 14.248 ( -4.640 4.004 -1.722) 6.366 14.525 ( -0.471 1.885 4.175) 4.605 14.619 ( 9.295 8.939 -1.149) 12.947 14.666 ( 6.923 4.512 -0.547) 8.282 14.966 ( 2.309 2.880 -10.103) 10.756 15.070 ( 12.654 1.616 -1.597) 12.856 15.113 ( 2.981 2.583 -1.205) 4.125 15.253 ( 5.661 2.611 -2.315) 6.650 15.512 ( 10.701 6.750 -2.004) 12.810 15.818 ( 7.562 6.128 3.023) 10.192 15.919 ( 10.493 5.398 0.556) 11.814 16.306 ( 12.784 15.953 2.752) 20.628 17.016 ( 1.801 0.969 2.759) 3.435 17.191 ( 8.046 -8.460 -1.846) 11.820 17.569 ( -7.848 -3.039 -3.561) 9.139 17.991 ( -6.256 -5.997 -1.018) 8.726 18.739 ( -0.517 6.772 0.643) 6.822 18.958 ( -2.335 2.021 0.592) 3.145 21.426 ( -13.123 -1.488 -1.787) 13.327 22.732 ( 6.622 3.742 9.323) 12.032 22.948 ( 0.699 3.784 -8.014) 8.890 23.932 ( 10.044 1.257 0.973) 10.169 ======================= Grid point 193 (84/141) ======================= q-point: (-0.20 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( -34.385 0.000 23.119) 41.435 1.684 ( -32.691 0.000 13.465) 35.355 2.856 ( -53.386 0.000 6.316) 53.758 2.946 ( -30.784 0.000 0.492) 30.788 3.383 ( -33.565 0.000 -4.233) 33.830 3.426 ( -6.779 0.000 4.270) 8.011 3.444 ( -29.838 0.000 2.520) 29.944 4.055 ( -7.443 0.000 0.463) 7.457 4.072 ( -8.005 0.000 -9.491) 12.416 4.502 ( -7.366 0.000 6.236) 9.651 4.919 ( 0.251 -0.000 -3.155) 3.165 5.027 ( -15.256 0.000 -7.481) 16.991 5.269 ( -17.442 0.000 6.151) 18.495 5.492 ( 5.693 -0.000 1.003) 5.781 5.790 ( 11.378 -0.000 -0.429) 11.386 5.828 ( -0.234 0.000 -9.669) 9.672 6.039 ( 7.536 -0.000 6.535) 9.975 6.406 ( -6.751 0.000 -22.730) 23.711 6.558 ( 1.581 -0.000 4.922) 5.170 6.686 ( 6.765 -0.000 4.407) 8.074 6.888 ( 1.242 -0.000 0.727) 1.439 6.910 ( -8.300 0.000 6.389) 10.474 7.135 ( -5.559 0.000 4.248) 6.996 7.168 ( -18.074 0.000 -1.617) 18.146 7.298 ( -2.867 0.000 0.870) 2.996 7.721 ( -9.443 0.000 -1.228) 9.522 7.997 ( 11.019 -0.000 0.119) 11.020 8.104 ( -3.718 0.000 10.095) 10.758 8.357 ( -0.562 0.000 -10.908) 10.922 8.725 ( 13.970 -0.000 8.726) 16.471 8.752 ( 3.741 -0.000 10.564) 11.207 8.801 ( 1.364 -0.000 -3.662) 3.908 9.131 ( -2.937 0.000 10.399) 10.805 9.204 ( -4.101 0.000 -3.176) 5.188 9.430 ( -8.456 0.000 5.055) 9.852 9.699 ( 1.642 -0.000 -6.429) 6.635 9.911 ( -2.756 0.000 7.710) 8.188 9.966 ( -10.633 0.000 -3.437) 11.175 10.181 ( 5.404 -0.000 -8.703) 10.245 10.188 ( 5.499 -0.000 4.585) 7.159 10.388 ( -8.105 0.000 0.756) 8.140 10.418 ( -3.911 0.000 -2.546) 4.667 10.472 ( -10.990 0.000 1.323) 11.069 10.701 ( 2.437 -0.000 -4.503) 5.120 10.742 ( -3.135 0.000 3.380) 4.610 10.959 ( -12.859 0.000 -0.032) 12.860 11.032 ( 0.936 -0.000 0.791) 1.225 11.242 ( -3.937 0.000 -1.461) 4.199 11.339 ( -5.370 0.000 1.603) 5.604 11.456 ( -5.835 0.000 -4.018) 7.085 11.676 ( -3.442 0.000 1.699) 3.839 11.833 ( -12.689 0.000 10.354) 16.377 11.930 ( -11.516 0.000 1.471) 11.609 12.189 ( 1.839 -0.000 -1.764) 2.548 12.332 ( 1.879 -0.000 -2.161) 2.864 12.380 ( -3.422 0.000 -4.632) 5.759 12.489 ( -8.791 0.000 3.221) 9.363 12.692 ( 0.469 -0.000 2.518) 2.562 12.829 ( -1.735 0.000 -2.670) 3.184 13.067 ( 9.425 -0.000 10.114) 13.825 13.319 ( 2.134 -0.000 -9.371) 9.611 13.322 ( 1.854 -0.000 1.645) 2.478 13.403 ( 5.628 -0.000 -2.124) 6.015 13.481 ( 1.218 -0.000 -11.466) 11.531 13.551 ( 13.674 -0.000 -1.858) 13.799 13.625 ( 4.362 -0.000 -1.663) 4.668 14.143 ( 9.021 -0.000 10.472) 13.822 14.188 ( -8.000 0.000 5.799) 9.881 14.313 ( 9.903 -0.000 -2.139) 10.131 14.616 ( 5.239 -0.000 0.993) 5.333 14.811 ( 3.272 -0.000 1.803) 3.736 14.815 ( 0.504 -0.000 -8.402) 8.417 14.863 ( 8.521 -0.000 -8.215) 11.836 15.072 ( 4.487 -0.000 4.149) 6.111 15.225 ( 18.010 -0.000 -2.842) 18.233 15.253 ( 2.304 -0.000 -2.879) 3.687 15.683 ( 11.922 -0.000 -8.965) 14.917 15.708 ( 9.311 -0.000 2.445) 9.627 16.129 ( 3.519 -0.000 8.420) 9.126 16.650 ( 24.614 -0.000 4.319) 24.991 16.956 ( 4.531 -0.000 -1.509) 4.776 17.100 ( -2.946 0.000 1.366) 3.247 17.599 ( -5.525 0.000 -4.759) 7.292 17.798 ( -5.063 0.000 -1.377) 5.246 18.867 ( -2.395 0.000 0.644) 2.480 18.994 ( -3.013 0.000 1.547) 3.387 21.442 ( -12.285 0.000 -3.991) 12.917 22.754 ( 0.424 -0.000 -12.947) 12.954 23.099 ( 3.317 -0.000 12.009) 12.459 23.920 ( 13.786 -0.000 2.754) 14.059 ======================= Grid point 194 (85/141) ======================= q-point: (-0.10 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( -29.865 -15.542 21.617) 40.010 1.595 ( -31.168 -17.685 21.636) 41.861 2.477 ( -29.767 -10.608 1.149) 31.622 2.703 ( -39.814 -13.946 12.473) 43.991 3.154 ( -25.696 -10.194 -1.221) 27.671 3.291 ( -32.241 -13.503 4.952) 35.303 3.537 ( -3.818 -16.819 -5.896) 18.227 3.978 ( -6.567 -2.198 -3.871) 7.934 4.127 ( -4.376 -11.421 -2.500) 12.483 4.477 ( -4.682 -2.752 7.560) 9.308 4.605 ( -23.505 10.009 -9.085) 27.114 5.070 ( -5.274 -6.729 -0.359) 8.557 5.187 ( -3.600 -3.370 1.131) 5.059 5.615 ( 1.255 -7.101 -7.556) 10.445 5.782 ( 3.515 0.078 -0.778) 3.601 5.921 ( 2.809 -2.480 -5.726) 6.844 6.120 ( 8.988 1.994 6.615) 11.336 6.347 ( -6.271 -4.217 -19.142) 20.580 6.577 ( 3.615 -0.651 4.659) 5.933 6.773 ( 4.378 -0.127 5.441) 6.985 6.830 ( -6.149 -0.028 2.513) 6.643 6.979 ( -2.035 -9.453 4.959) 10.867 7.050 ( -4.816 0.788 4.102) 6.375 7.142 ( -6.842 -6.328 2.005) 9.533 7.299 ( -3.026 -4.383 -0.989) 5.417 7.683 ( -3.193 -3.152 0.219) 4.492 8.015 ( -0.564 4.243 3.229) 5.362 8.069 ( 0.240 5.710 4.552) 7.306 8.311 ( 2.760 3.980 -11.198) 12.200 8.697 ( -0.481 8.460 -2.251) 8.767 8.838 ( 8.023 -1.641 16.166) 18.122 8.920 ( 8.391 -4.280 5.807) 11.066 9.077 ( 8.388 -0.054 -0.555) 8.407 9.259 ( -4.795 -5.681 0.033) 7.434 9.372 ( -7.088 -3.412 2.095) 8.141 9.775 ( -9.050 5.952 0.791) 10.861 9.877 ( 2.094 -10.202 3.295) 10.923 9.937 ( -4.607 -3.549 1.865) 6.107 10.190 ( -9.144 2.349 -3.399) 10.034 10.223 ( 7.513 1.768 -3.797) 8.602 10.297 ( 3.414 -5.294 0.438) 6.314 10.424 ( -6.593 -3.871 0.861) 7.693 10.529 ( -0.442 -6.437 -3.168) 7.188 10.700 ( -6.094 2.353 -0.363) 6.543 10.744 ( 3.772 -3.662 -3.696) 6.427 10.864 ( -8.074 -0.481 1.334) 8.198 11.018 ( 1.598 1.498 5.046) 5.501 11.232 ( -3.119 -1.937 0.464) 3.701 11.366 ( -2.231 -6.941 2.732) 7.786 11.399 ( -4.177 -1.042 -2.557) 5.007 11.634 ( -5.632 -0.853 1.204) 5.822 11.703 ( -15.087 -1.654 5.214) 16.048 11.922 ( -9.363 -8.315 3.364) 12.966 12.156 ( -2.309 5.973 2.569) 6.900 12.313 ( 2.919 -0.778 -2.136) 3.700 12.384 ( -0.364 -2.911 -2.278) 3.714 12.474 ( -5.495 -4.073 4.560) 8.221 12.683 ( 0.665 1.429 2.507) 2.961 12.806 ( -2.867 0.013 -1.446) 3.211 13.059 ( -0.378 6.420 -2.354) 6.848 13.246 ( 3.287 2.626 -0.220) 4.213 13.390 ( -0.408 -3.727 -1.891) 4.199 13.413 ( 4.769 6.530 -10.846) 13.528 13.535 ( 8.405 5.188 -0.424) 9.886 13.603 ( 7.037 -1.786 -3.208) 7.937 13.710 ( 4.894 -1.790 -1.420) 5.401 14.100 ( -6.892 1.927 6.074) 9.386 14.182 ( 1.255 3.426 -2.220) 4.271 14.386 ( 12.546 5.198 8.527) 16.036 14.600 ( 1.488 5.824 3.591) 7.002 14.757 ( 4.374 2.073 -1.988) 5.232 14.857 ( 6.603 6.616 -3.175) 9.872 14.925 ( 0.433 -4.101 -7.128) 8.235 15.136 ( 4.487 -2.428 0.361) 5.115 15.216 ( 1.531 3.975 -3.092) 5.264 15.384 ( 12.345 1.570 -1.105) 12.493 15.689 ( 11.544 4.159 -5.924) 13.625 15.922 ( 10.934 -4.610 1.430) 11.952 16.110 ( 4.133 6.884 7.521) 11.002 16.702 ( 12.727 14.652 3.001) 19.639 17.050 ( 2.030 -0.632 3.198) 3.840 17.141 ( 9.962 -6.659 -2.564) 12.254 17.497 ( -6.119 2.989 -4.963) 8.427 17.821 ( -5.223 -6.764 -1.597) 8.694 18.820 ( -0.919 3.473 1.033) 3.738 18.957 ( -3.123 0.951 0.695) 3.338 21.295 ( -12.830 1.669 -1.976) 13.088 22.671 ( -12.115 -3.779 -32.609) 34.991 23.155 ( 14.030 7.527 27.554) 31.823 24.047 ( 9.777 0.570 1.477) 9.904 ======================= Grid point 204 (86/141) ======================= q-point: (-0.10 -0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( -31.249 0.000 29.322) 42.852 1.120 ( -30.720 0.000 28.334) 41.792 1.851 ( -49.588 0.000 44.874) 66.878 2.440 ( -19.379 0.000 0.436) 19.384 2.800 ( -22.184 0.000 -1.374) 22.227 2.921 ( -23.381 0.000 3.822) 23.691 3.332 ( -4.031 0.000 -12.155) 12.806 3.882 ( -7.349 0.000 -12.063) 14.126 4.019 ( 1.929 -0.000 8.495) 8.712 4.434 ( -1.990 0.000 9.268) 9.479 4.477 ( -33.214 0.000 -27.423) 43.072 4.902 ( -0.289 0.000 -5.241) 5.249 5.057 ( -9.958 0.000 9.515) 13.773 5.559 ( 0.026 -0.000 -19.947) 19.947 5.767 ( -0.611 0.000 1.030) 1.197 5.989 ( 6.728 -0.000 -2.472) 7.168 6.210 ( -3.937 0.000 -20.134) 20.515 6.235 ( 8.268 -0.000 -1.457) 8.395 6.646 ( 5.137 -0.000 6.831) 8.547 6.787 ( -6.704 0.000 4.823) 8.259 6.808 ( -4.008 0.000 5.805) 7.054 6.859 ( 0.465 -0.000 2.195) 2.243 7.038 ( -5.772 0.000 5.401) 7.905 7.108 ( 19.274 -0.000 18.542) 26.745 7.274 ( -0.027 0.000 3.292) 3.292 7.589 ( -4.601 0.000 -0.859) 4.681 8.048 ( -5.375 0.000 9.847) 11.219 8.137 ( 4.081 -0.000 -7.174) 8.254 8.391 ( 8.069 -0.000 -5.815) 9.946 8.789 ( -1.659 0.000 -5.841) 6.072 8.883 ( 3.250 -0.000 2.104) 3.871 8.950 ( 3.397 -0.000 7.795) 8.503 9.167 ( 4.870 -0.000 -7.694) 9.106 9.228 ( -1.679 0.000 9.863) 10.005 9.445 ( 23.105 -0.000 35.468) 42.330 9.743 ( 3.960 -0.000 -6.397) 7.524 9.764 ( -7.958 0.000 -2.045) 8.216 9.813 ( -7.362 0.000 3.128) 7.999 10.191 ( -2.115 0.000 -2.725) 3.449 10.250 ( -6.564 0.000 5.150) 8.343 10.358 ( 5.604 -0.000 -8.433) 10.125 10.367 ( 0.233 -0.000 -5.122) 5.127 10.391 ( 6.102 -0.000 4.189) 7.402 10.669 ( -5.746 0.000 5.089) 7.675 10.730 ( 2.513 -0.000 -4.768) 5.390 10.821 ( -1.784 0.000 6.769) 7.000 11.048 ( 0.954 -0.000 2.642) 2.809 11.218 ( 1.192 -0.000 1.098) 1.621 11.269 ( -2.639 0.000 1.837) 3.215 11.367 ( -2.084 0.000 -0.333) 2.111 11.569 ( -4.851 0.000 -0.298) 4.860 11.584 ( -14.048 0.000 7.974) 16.154 11.727 ( -10.679 0.000 1.326) 10.761 12.172 ( -6.206 0.000 -3.829) 7.292 12.340 ( 2.177 -0.000 -3.860) 4.431 12.352 ( -1.158 0.000 -2.190) 2.477 12.405 ( -0.073 0.000 13.050) 13.050 12.702 ( -1.459 0.000 2.280) 2.707 12.769 ( -1.941 0.000 0.470) 1.997 13.107 ( -13.593 0.000 -24.038) 27.616 13.284 ( -0.017 0.000 3.482) 3.482 13.311 ( -0.334 0.000 -2.450) 2.473 13.506 ( 5.068 -0.000 -5.089) 7.183 13.526 ( 7.981 -0.000 1.020) 8.046 13.705 ( 2.722 -0.000 -1.320) 3.025 13.765 ( 7.427 -0.000 -1.739) 7.628 14.054 ( -7.617 0.000 7.926) 10.993 14.224 ( 1.974 -0.000 -9.359) 9.565 14.512 ( 2.580 -0.000 3.319) 4.203 14.736 ( 6.684 -0.000 -0.436) 6.698 14.837 ( 10.156 -0.000 5.510) 11.555 14.844 ( 0.573 -0.000 -0.139) 0.589 14.966 ( 2.678 -0.000 -3.383) 4.315 15.109 ( -2.194 0.000 5.838) 6.237 15.258 ( 0.438 -0.000 -0.149) 0.462 15.492 ( 9.928 -0.000 -6.703) 11.979 15.895 ( 9.294 -0.000 3.353) 9.880 15.924 ( 15.034 -0.000 -4.911) 15.816 16.227 ( 4.866 -0.000 11.435) 12.428 16.919 ( -4.626 0.000 6.036) 7.605 17.066 ( 6.351 -0.000 0.113) 6.352 17.202 ( 17.777 -0.000 -0.929) 17.802 17.485 ( -4.338 0.000 -5.719) 7.178 17.700 ( -4.106 0.000 -1.642) 4.423 18.841 ( -0.919 0.000 1.021) 1.374 18.937 ( -2.887 0.000 0.365) 2.910 21.224 ( -7.996 0.000 -3.005) 8.542 22.279 ( -41.696 0.000 -49.457) 64.688 23.497 ( 27.707 -0.000 31.701) 42.103 24.138 ( 7.166 -0.000 1.495) 7.320 ======================= Grid point 205 (87/141) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( 5.731 -0.000 31.075) 31.599 1.694 ( -0.750 0.000 34.488) 34.496 2.155 ( 0.423 -0.000 -12.759) 12.766 2.371 ( 3.086 -0.000 -18.110) 18.371 2.802 ( -1.644 0.000 6.686) 6.886 2.868 ( -6.228 0.000 2.334) 6.651 3.183 ( 8.146 -0.000 56.659) 57.241 3.525 ( -2.378 0.000 -3.385) 4.137 3.636 ( -6.172 0.000 -10.844) 12.477 4.348 ( -3.075 0.000 -43.732) 43.840 4.368 ( 3.896 -0.000 14.028) 14.559 4.701 ( 0.680 -0.000 -21.638) 21.649 4.836 ( 6.535 -0.000 8.467) 10.695 4.981 ( -8.628 0.000 -2.347) 8.941 5.800 ( -5.921 0.000 -2.152) 6.300 5.876 ( 2.338 -0.000 -7.210) 7.579 5.955 ( 2.178 -0.000 5.547) 5.960 6.135 ( 1.347 -0.000 -10.163) 10.252 6.793 ( -3.066 0.000 2.436) 3.916 6.820 ( 5.095 -0.000 -0.185) 5.098 6.922 ( -1.792 0.000 3.462) 3.898 6.955 ( 5.824 -0.000 1.780) 6.090 7.083 ( -4.445 0.000 5.585) 7.138 7.186 ( 2.393 -0.000 -4.168) 4.806 7.552 ( -2.545 0.000 5.635) 6.183 7.699 ( 5.000 -0.000 -6.042) 7.842 8.131 ( 8.823 -0.000 8.030) 11.931 8.185 ( -6.944 0.000 11.109) 13.101 8.393 ( -10.352 0.000 -14.595) 17.893 8.419 ( 7.541 -0.000 -10.282) 12.750 8.926 ( -0.741 0.000 3.311) 3.393 8.961 ( -5.411 0.000 0.079) 5.412 9.134 ( -7.457 0.000 1.577) 7.622 9.198 ( 10.817 -0.000 -4.721) 11.803 9.647 ( -1.036 0.000 -0.620) 1.208 9.649 ( -1.669 0.000 -0.698) 1.809 9.868 ( 4.788 -0.000 3.770) 6.094 9.939 ( -11.849 0.000 -1.845) 11.992 10.121 ( 0.266 -0.000 5.356) 5.363 10.174 ( -6.676 0.000 2.988) 7.314 10.235 ( 0.547 -0.000 -5.286) 5.314 10.276 ( 8.065 -0.000 -7.446) 10.977 10.649 ( -3.836 0.000 6.082) 7.191 10.767 ( 6.130 -0.000 -5.046) 7.940 10.869 ( 11.071 -0.000 7.430) 13.333 10.953 ( -8.705 0.000 -2.605) 9.086 11.165 ( 2.650 -0.000 13.349) 13.610 11.310 ( -2.678 0.000 6.053) 6.619 11.360 ( 1.978 -0.000 -4.616) 5.022 11.402 ( -4.350 0.000 -1.645) 4.650 11.498 ( -5.452 0.000 -1.599) 5.681 11.512 ( 10.307 -0.000 -3.812) 10.989 11.629 ( 5.911 -0.000 3.538) 6.889 11.720 ( -11.799 0.000 -3.714) 12.370 12.279 ( -1.502 0.000 -0.239) 1.521 12.321 ( 2.489 -0.000 -2.506) 3.533 12.610 ( -2.877 0.000 0.861) 3.003 12.628 ( -0.065 0.000 -1.316) 1.318 12.850 ( -0.668 0.000 9.953) 9.975 12.917 ( 4.056 -0.000 -0.422) 4.078 13.303 ( 3.385 -0.000 4.979) 6.021 13.375 ( -0.796 0.000 1.903) 2.063 13.499 ( 2.395 -0.000 -0.168) 2.400 13.620 ( -3.672 0.000 -8.534) 9.290 13.728 ( 5.990 -0.000 -2.017) 6.320 13.744 ( -4.272 0.000 -2.279) 4.842 14.051 ( -8.483 0.000 3.209) 9.069 14.128 ( 7.971 -0.000 -5.801) 9.858 14.700 ( 1.172 -0.000 7.089) 7.185 14.805 ( 1.930 -0.000 -3.442) 3.946 14.845 ( 0.985 -0.000 0.646) 1.178 14.875 ( -0.620 0.000 -2.779) 2.847 15.140 ( 0.475 -0.000 6.178) 6.196 15.187 ( -6.957 0.000 7.633) 10.328 15.331 ( 0.208 -0.000 -10.674) 10.676 15.347 ( 7.573 -0.000 -6.059) 9.699 16.057 ( -5.447 0.000 3.827) 6.657 16.140 ( 10.902 -0.000 -3.467) 11.440 16.718 ( 20.159 -0.000 3.300) 20.428 16.759 ( -15.526 0.000 -0.908) 15.552 17.189 ( 1.054 -0.000 3.358) 3.519 17.276 ( -3.782 0.000 -4.965) 6.241 17.505 ( 10.961 -0.000 0.532) 10.974 17.511 ( -13.645 0.000 0.041) 13.645 18.849 ( 0.593 -0.000 1.307) 1.436 18.876 ( -1.245 0.000 -1.288) 1.792 21.095 ( -16.536 0.000 2.634) 16.745 21.140 ( 8.024 -0.000 -1.719) 8.206 24.130 ( 8.293 -0.000 1.515) 8.431 24.160 ( -5.253 0.000 -1.453) 5.451 ======================= Grid point 206 (88/141) ======================= q-point: ( 0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( 7.104 -11.251 26.310) 29.484 2.094 ( 14.420 -24.764 20.144) 35.028 2.291 ( 12.583 -10.909 -13.120) 21.201 2.527 ( 12.350 -13.570 -19.210) 26.565 2.895 ( 3.566 -7.382 10.995) 13.715 2.999 ( 5.371 -14.495 6.411) 16.735 3.394 ( 0.534 -11.830 30.002) 32.255 3.538 ( -4.087 -5.489 -0.152) 6.845 3.757 ( 24.040 -4.114 2.551) 24.523 4.206 ( 5.151 2.520 -22.393) 23.116 4.644 ( 5.552 -16.849 2.022) 17.855 4.820 ( 1.476 -15.847 -22.443) 27.514 4.917 ( 1.569 -2.264 8.400) 8.841 5.017 ( 2.285 -8.333 -4.211) 9.612 5.752 ( -3.012 -1.622 1.815) 3.873 5.904 ( 2.077 -1.349 -7.953) 8.330 6.012 ( -0.731 -5.168 6.300) 8.182 6.183 ( -0.642 -5.634 -9.602) 11.151 6.801 ( 0.439 -2.491 0.925) 2.693 6.845 ( -1.578 0.722 -0.342) 1.769 6.955 ( 4.367 -3.925 1.706) 6.114 7.015 ( 1.272 -2.140 -1.961) 3.169 7.084 ( 1.344 -1.065 6.411) 6.636 7.232 ( 5.658 -1.350 -3.444) 6.760 7.477 ( -2.860 5.512 5.874) 8.548 7.646 ( 1.787 7.319 -9.401) 12.048 8.023 ( -4.749 9.214 11.959) 15.826 8.258 ( -7.076 1.016 -8.985) 11.481 8.336 ( 4.113 -7.235 5.088) 9.755 8.455 ( -0.124 -1.064 -9.169) 9.232 8.903 ( -7.582 -1.786 7.416) 10.755 8.917 ( -6.950 0.017 2.569) 7.410 9.133 ( 2.725 -2.505 -1.220) 3.897 9.307 ( 10.179 -1.698 -4.351) 11.199 9.530 ( -8.667 5.312 5.428) 11.524 9.626 ( 0.313 2.495 -0.643) 2.595 9.875 ( 0.749 -3.437 1.379) 3.779 9.899 ( 0.150 0.092 2.942) 2.947 10.132 ( 3.418 0.794 2.633) 4.387 10.149 ( -3.199 -1.634 3.329) 4.897 10.221 ( 1.355 1.778 -7.303) 7.637 10.369 ( 6.876 -3.800 -5.253) 9.451 10.607 ( -3.185 1.095 4.022) 5.246 10.763 ( 2.791 3.489 -4.225) 6.149 10.856 ( -9.341 2.097 -3.675) 10.255 10.975 ( 10.161 2.618 5.841) 12.009 11.191 ( 2.957 -1.951 7.032) 7.874 11.261 ( -0.266 0.342 -1.239) 1.313 11.324 ( -8.227 -2.145 0.317) 8.508 11.446 ( -4.407 -7.331 -0.976) 8.609 11.541 ( 4.157 -5.574 -0.272) 6.959 11.631 ( 8.779 -7.443 4.388) 12.317 11.744 ( -0.265 -7.061 -2.873) 7.628 11.886 ( 12.867 -10.331 2.174) 16.644 12.280 ( -1.322 -1.838 -0.566) 2.333 12.347 ( 2.593 -0.654 -2.740) 3.829 12.592 ( -2.029 0.323 0.884) 2.237 12.646 ( 4.014 0.692 0.730) 4.138 12.840 ( -1.064 1.531 8.620) 8.819 12.953 ( 0.839 -1.603 -3.222) 3.695 13.311 ( 0.553 3.906 3.419) 5.220 13.349 ( -1.185 2.121 2.161) 3.251 13.478 ( -1.265 6.558 -2.372) 7.088 13.499 ( -0.392 4.510 -8.628) 9.744 13.687 ( -3.753 -0.444 -0.635) 3.832 13.758 ( -0.235 1.109 -3.516) 3.694 13.977 ( -6.805 -0.461 4.265) 8.044 14.128 ( -1.934 4.772 -0.513) 5.175 14.691 ( -2.457 3.339 4.467) 6.094 14.775 ( -1.588 3.927 -3.618) 5.571 14.796 ( -2.424 4.581 0.765) 5.239 14.885 ( 4.746 0.444 -5.568) 7.330 15.044 ( -1.760 3.791 3.131) 5.222 15.173 ( 1.362 7.884 -6.585) 10.362 15.258 ( -6.502 -5.866 9.068) 12.606 15.463 ( -0.375 -1.654 -7.198) 7.396 15.938 ( -8.363 5.839 -2.257) 10.447 16.113 ( 6.806 11.015 -3.132) 13.322 16.530 ( -12.324 8.138 3.987) 15.297 16.797 ( 6.751 13.482 -3.928) 15.582 17.175 ( 1.928 0.808 1.304) 2.464 17.200 ( -3.852 0.717 -0.584) 3.962 17.378 ( -17.093 -3.288 1.577) 17.477 17.637 ( 7.762 -5.188 0.004) 9.336 18.854 ( 0.783 1.403 0.788) 1.789 18.869 ( 1.069 0.190 -0.517) 1.202 21.146 ( -0.287 -12.703 3.884) 13.287 21.347 ( 12.743 -9.766 -0.767) 16.073 24.005 ( -10.374 8.486 -1.198) 13.456 24.124 ( 2.208 5.705 0.563) 6.144 ======================= Grid point 207 (89/141) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( 3.635 -9.053 13.261) 16.463 2.516 ( 6.385 -15.189 -14.875) 22.198 2.751 ( 19.522 -18.731 19.726) 33.482 2.893 ( 11.165 -15.378 -22.728) 29.626 3.205 ( 15.299 -15.783 12.564) 25.319 3.371 ( 12.635 -14.466 10.850) 22.060 3.668 ( -0.385 -14.988 2.353) 15.176 3.751 ( 13.377 -19.106 -0.645) 23.333 4.126 ( 19.605 -8.989 2.627) 21.727 4.368 ( 11.152 -16.723 2.230) 20.223 4.895 ( -1.916 -9.827 -4.870) 11.134 4.993 ( 0.500 -5.228 4.715) 7.058 5.153 ( 7.612 -15.717 -2.669) 17.666 5.226 ( 8.501 -12.714 -9.685) 18.103 5.809 ( -1.797 -5.789 2.960) 6.746 5.963 ( 3.228 -4.878 -6.253) 8.562 6.139 ( -2.815 -11.030 2.638) 11.685 6.245 ( -3.716 -6.987 -4.163) 8.942 6.775 ( -4.709 0.607 0.835) 4.821 6.857 ( -2.182 0.208 0.681) 2.295 7.017 ( -0.762 -0.888 3.392) 3.588 7.124 ( 3.821 1.354 3.592) 5.416 7.160 ( 12.157 -4.157 -2.244) 13.043 7.287 ( 5.810 2.036 -8.973) 10.882 7.408 ( -2.429 -5.655 -1.816) 6.417 7.578 ( 4.282 0.428 2.252) 4.857 7.832 ( -3.448 9.193 7.113) 12.124 8.163 ( -4.846 1.836 -9.043) 10.422 8.415 ( -6.553 -2.149 4.785) 8.394 8.444 ( 4.232 4.830 -7.003) 9.502 8.841 ( -8.517 -0.340 7.128) 11.111 8.923 ( -5.162 -8.086 7.173) 11.979 9.211 ( 4.072 -1.902 -2.051) 4.940 9.394 ( -1.548 -2.942 -4.496) 5.591 9.506 ( 4.472 -5.983 1.901) 7.708 9.576 ( -0.056 3.463 0.379) 3.484 9.904 ( 0.229 0.123 4.556) 4.564 9.997 ( 5.349 -5.488 -1.837) 7.880 10.140 ( 0.518 0.821 0.059) 0.973 10.183 ( 4.722 -2.239 1.506) 5.439 10.248 ( 4.674 -1.754 -1.880) 5.335 10.515 ( 5.709 -5.154 -1.695) 7.876 10.549 ( -3.447 1.323 -0.636) 3.746 10.716 ( 0.460 2.746 -3.005) 4.097 10.751 ( -2.329 -0.633 -4.047) 4.712 10.994 ( 7.002 4.823 3.056) 9.035 11.294 ( -0.139 -4.085 0.330) 4.101 11.313 ( -4.133 -5.538 1.687) 7.113 11.353 ( 4.066 -8.519 -2.508) 9.767 11.520 ( -4.640 -6.825 -2.038) 8.500 11.728 ( 10.102 -7.267 3.905) 13.043 11.851 ( -0.960 -9.481 1.286) 9.616 11.921 ( 11.650 -8.083 -0.112) 14.180 12.123 ( 5.022 -4.497 7.941) 10.417 12.321 ( 0.634 -4.026 -3.893) 5.637 12.384 ( 2.702 -1.449 -0.746) 3.155 12.565 ( -1.521 0.582 1.092) 1.961 12.661 ( 3.466 1.664 0.809) 3.929 12.819 ( -1.428 0.955 9.211) 9.370 12.962 ( -1.450 0.648 -6.133) 6.336 13.156 ( -5.307 12.857 0.147) 13.910 13.222 ( -8.051 4.183 -0.766) 9.105 13.363 ( 0.023 2.305 -5.103) 5.599 13.478 ( 3.541 1.928 -2.816) 4.918 13.670 ( -4.562 4.917 -2.193) 7.057 13.696 ( 0.644 -1.768 0.740) 2.022 13.936 ( -2.436 5.436 4.295) 7.344 13.979 ( -4.063 3.753 2.287) 5.986 14.560 ( -4.799 7.359 4.969) 10.093 14.633 ( -2.928 8.586 1.119) 9.141 14.689 ( -6.291 3.326 -2.379) 7.503 14.848 ( -1.522 5.833 -2.330) 6.463 14.960 ( -2.656 5.456 -2.284) 6.484 15.118 ( 3.644 1.246 -3.127) 4.961 15.270 ( -6.978 -1.339 6.261) 9.470 15.362 ( -4.461 7.707 -4.584) 10.016 15.704 ( -9.442 9.599 -9.113) 16.258 15.953 ( 2.571 13.164 1.679) 13.517 16.259 ( -9.911 12.858 6.184) 17.372 16.449 ( -7.403 20.605 -4.044) 22.265 17.171 ( 0.066 1.054 -1.893) 2.167 17.279 ( 8.710 -3.176 -1.210) 9.350 17.334 ( -13.865 -11.133 3.056) 18.043 17.805 ( 6.878 -5.650 -0.755) 8.933 18.802 ( -1.888 4.317 -0.208) 4.716 18.883 ( 3.019 0.746 0.306) 3.125 21.393 ( 1.152 -13.653 -4.625) 14.460 21.654 ( 14.313 -9.427 9.347) 19.522 23.710 ( -13.410 11.507 -2.769) 17.886 24.023 ( 0.556 7.270 0.888) 7.345 ======================= Grid point 208 (90/141) ======================= q-point: ( 0.30 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.263 ( 2.506 -4.281 1.069) 5.074 2.767 ( 3.144 -12.150 -11.395) 16.951 3.110 ( 4.332 -7.199 -20.900) 22.526 3.261 ( 16.615 -17.312 22.777) 33.084 3.627 ( 13.396 -12.396 10.851) 21.233 3.767 ( 16.393 -14.694 8.090) 23.454 3.993 ( 11.171 -14.251 5.407) 18.897 4.235 ( 22.530 -14.410 -9.871) 28.508 4.427 ( 1.718 -15.573 0.728) 15.685 4.762 ( 1.193 -12.618 -4.032) 13.300 5.015 ( 1.633 -7.007 10.844) 13.014 5.145 ( 6.047 -11.292 1.559) 12.904 5.398 ( 4.960 -7.793 -7.503) 11.901 5.501 ( 7.099 -8.886 1.974) 11.543 5.918 ( -2.579 -10.237 0.449) 10.566 6.035 ( 1.070 -1.413 -5.428) 5.710 6.341 ( -3.376 -13.986 -0.678) 14.404 6.391 ( -1.064 -14.991 -3.327) 15.393 6.712 ( -6.875 10.400 10.370) 16.216 6.774 ( -2.805 -4.088 4.719) 6.845 7.006 ( -1.851 1.615 -2.180) 3.284 7.119 ( 2.166 2.485 0.060) 3.297 7.244 ( 6.089 1.299 -2.958) 6.893 7.309 ( 5.645 -1.817 -11.546) 12.980 7.580 ( 4.701 -0.986 0.953) 4.897 7.680 ( 2.407 -4.722 3.073) 6.126 7.826 ( 10.059 -11.774 0.808) 15.506 8.061 ( -3.944 3.127 -7.595) 9.112 8.268 ( -1.623 12.473 -4.455) 13.344 8.438 ( -1.653 -5.259 -0.368) 5.525 8.815 ( -6.997 -3.766 9.285) 12.221 9.081 ( -3.430 -12.233 3.597) 13.204 9.249 ( 4.899 2.437 -0.017) 5.472 9.424 ( -3.781 -4.633 -5.149) 7.892 9.516 ( -1.326 2.352 0.315) 2.718 9.677 ( 2.267 -5.803 2.983) 6.907 9.933 ( 6.430 1.421 2.680) 7.109 10.054 ( 1.923 2.628 -1.230) 3.481 10.155 ( -0.735 -4.321 -1.424) 4.608 10.287 ( 1.904 -3.640 0.763) 4.178 10.358 ( 7.882 -3.570 -0.484) 8.667 10.481 ( 0.795 -1.817 2.799) 3.430 10.655 ( 1.457 1.210 -3.694) 4.152 10.717 ( 5.339 -4.226 -1.035) 6.887 10.865 ( 4.349 -11.965 -4.511) 13.507 10.961 ( 2.792 4.880 0.349) 5.633 11.347 ( -2.853 -5.980 2.205) 6.983 11.432 ( 0.229 -6.732 -2.726) 7.266 11.519 ( 2.062 -6.008 -1.240) 6.472 11.597 ( 2.397 -6.636 -0.578) 7.079 11.926 ( 5.316 1.398 0.852) 5.562 11.958 ( 0.565 -5.218 4.390) 6.843 12.019 ( -0.301 1.091 -1.022) 1.525 12.237 ( 3.844 -2.227 5.605) 7.152 12.377 ( 2.683 -3.670 -3.560) 5.774 12.411 ( -4.812 0.878 2.661) 5.569 12.582 ( 1.528 -2.218 1.107) 2.912 12.672 ( 2.546 0.377 -0.105) 2.576 12.811 ( -4.687 9.649 -6.434) 12.509 12.848 ( 1.690 -3.251 7.729) 8.553 12.942 ( -6.133 5.597 -3.039) 8.842 13.091 ( -5.425 3.755 2.527) 7.065 13.331 ( 1.128 0.707 -8.033) 8.143 13.488 ( 4.587 2.668 -2.205) 5.746 13.551 ( -5.352 -1.106 -3.337) 6.403 13.729 ( 2.092 1.897 6.804) 7.367 13.807 ( -0.012 4.077 4.479) 6.057 13.951 ( 0.323 0.005 -3.264) 3.280 14.389 ( -4.950 8.350 6.661) 11.772 14.466 ( -2.163 7.692 -0.105) 7.991 14.589 ( -5.786 2.400 3.056) 6.969 14.688 ( -10.821 5.637 0.688) 12.221 14.794 ( -3.840 7.007 -5.843) 9.899 15.099 ( -0.636 5.236 0.492) 5.297 15.168 ( 0.096 7.103 -6.348) 9.526 15.209 ( -3.005 5.568 -1.005) 6.406 15.438 ( -8.463 9.017 -2.734) 12.665 15.739 ( -5.484 10.697 4.040) 12.682 15.956 ( -5.260 13.925 4.683) 15.605 16.035 ( -7.166 19.063 -4.020) 20.758 17.138 ( -0.009 2.153 -3.541) 4.144 17.358 ( -5.900 -7.947 1.519) 10.013 17.551 ( 6.371 -13.632 1.763) 15.150 17.940 ( 5.922 -2.999 -0.830) 6.690 18.673 ( -3.973 7.495 -0.467) 8.495 18.903 ( 3.258 0.426 0.114) 3.288 21.574 ( -0.103 -8.732 -8.993) 12.535 21.950 ( 11.384 -8.182 17.241) 22.221 23.377 ( -13.039 11.500 -6.202) 18.459 23.912 ( 0.180 6.280 0.800) 6.333 ======================= Grid point 209 (91/141) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( 1.106 -1.245 -4.113) 4.437 2.935 ( 0.745 -6.819 -5.403) 8.732 3.182 ( 2.248 -1.450 -11.452) 11.761 3.734 ( 15.874 -15.568 17.299) 28.171 3.896 ( 7.915 -5.315 8.806) 12.979 4.122 ( 4.432 -13.301 3.468) 14.442 4.309 ( 12.730 -3.407 -2.974) 13.509 4.522 ( 12.300 -8.144 -6.712) 16.207 4.634 ( -3.685 -5.242 3.008) 7.078 4.905 ( 1.585 -7.567 -0.797) 7.773 5.117 ( -1.672 -2.986 4.714) 5.825 5.396 ( 3.406 -7.241 1.166) 8.086 5.461 ( 1.260 1.045 -1.144) 1.997 5.732 ( 6.911 -10.907 0.676) 12.930 6.037 ( -0.789 -3.817 -6.454) 7.540 6.125 ( 0.560 -10.712 3.134) 11.175 6.405 ( -8.138 4.312 1.655) 9.358 6.478 ( -3.782 1.724 6.347) 7.587 6.685 ( 2.169 -10.169 -3.609) 11.007 6.858 ( 1.144 -1.255 5.567) 5.821 6.966 ( -4.714 -7.504 -3.820) 9.650 7.102 ( 1.405 1.637 -1.717) 2.757 7.263 ( 3.538 0.540 -2.438) 4.330 7.343 ( 0.884 2.993 -0.693) 3.197 7.562 ( 3.668 1.690 -2.853) 4.945 7.811 ( 0.463 -2.009 -3.664) 4.204 7.926 ( 1.504 7.980 -6.354) 10.311 8.053 ( -4.127 -0.015 -2.298) 4.724 8.254 ( 16.608 -12.889 -3.723) 21.350 8.570 ( -0.498 -8.579 4.244) 9.584 8.855 ( -4.968 -5.418 7.778) 10.702 9.155 ( -3.072 1.934 -5.058) 6.226 9.293 ( 4.861 -3.522 6.745) 9.029 9.428 ( -1.040 0.970 0.550) 1.525 9.505 ( -2.507 -3.374 -3.279) 5.331 9.691 ( -4.379 1.588 2.957) 5.518 9.877 ( 0.928 5.331 -1.246) 5.553 10.195 ( 3.835 -4.689 -1.720) 6.297 10.201 ( 1.705 -7.768 1.943) 8.187 10.319 ( 7.726 3.033 -1.368) 8.412 10.489 ( -2.025 -7.153 2.489) 7.839 10.583 ( 5.504 -1.946 2.719) 6.440 10.634 ( -0.744 0.056 -1.708) 1.864 10.781 ( -0.553 7.116 -1.660) 7.328 10.930 ( 8.485 -6.819 -1.957) 11.060 11.182 ( 5.473 -13.344 -2.449) 14.629 11.372 ( -5.109 -0.494 -1.252) 5.283 11.486 ( -1.427 -3.249 -0.633) 3.604 11.628 ( -1.015 -2.351 1.149) 2.807 11.749 ( 3.955 -3.998 0.591) 5.654 11.805 ( -0.679 5.612 5.069) 7.593 11.933 ( 1.248 5.525 0.416) 5.679 12.069 ( -2.041 -1.967 -2.091) 3.522 12.245 ( -2.633 1.612 2.056) 3.709 12.335 ( 0.795 -1.733 -1.802) 2.624 12.461 ( -2.299 -0.022 -0.989) 2.502 12.500 ( -4.302 10.289 -1.065) 11.203 12.668 ( 2.216 1.868 -1.403) 3.220 12.718 ( 0.261 0.937 4.832) 4.929 12.837 ( -3.284 -2.347 -6.367) 7.539 12.936 ( 0.067 -2.484 1.348) 2.827 13.011 ( -0.043 4.180 1.142) 4.334 13.360 ( 2.450 -6.482 -2.079) 7.235 13.484 ( 3.620 1.087 -0.153) 3.783 13.588 ( 0.044 -3.424 -0.094) 3.426 13.739 ( 3.137 0.748 2.312) 3.968 13.800 ( 1.724 0.299 1.692) 2.434 13.976 ( -1.330 -3.193 -3.072) 4.626 14.254 ( -3.446 3.169 7.437) 8.788 14.332 ( -3.722 6.135 -3.403) 7.942 14.452 ( -7.641 6.335 -2.317) 10.192 14.461 ( -0.161 6.794 0.122) 6.797 14.740 ( -7.275 -1.108 3.304) 8.067 14.954 ( 1.177 6.549 2.212) 7.012 15.052 ( 1.010 8.602 -5.561) 10.292 15.089 ( -3.074 1.496 -3.638) 4.992 15.268 ( -2.396 6.513 0.309) 6.946 15.542 ( -9.756 2.938 4.211) 11.025 15.637 ( -6.187 16.096 -4.641) 17.857 15.786 ( 2.271 8.048 4.550) 9.520 17.094 ( 0.155 2.265 -3.626) 4.278 17.436 ( -3.959 -6.026 1.686) 7.405 17.864 ( 7.797 -14.077 2.896) 16.351 18.015 ( 3.251 -1.150 -1.216) 3.656 18.477 ( -5.349 10.270 -1.156) 11.637 18.928 ( 2.083 0.023 0.399) 2.121 21.656 ( -1.188 -3.488 -6.576) 7.537 22.214 ( 9.073 -8.335 18.275) 22.040 23.066 ( -10.660 10.023 -10.243) 17.861 23.830 ( 0.343 3.651 0.333) 3.682 ======================= Grid point 210 (92/141) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.320 ( -1.342 0.213 -3.880) 4.111 2.969 ( -2.349 1.956 -0.413) 3.085 3.155 ( 0.357 5.177 -1.936) 5.539 3.985 ( 2.764 2.434 6.546) 7.511 4.092 ( 9.516 -7.136 5.672) 13.178 4.306 ( -4.816 -6.512 -0.983) 8.159 4.332 ( -1.741 0.029 -7.924) 8.113 4.582 ( -3.756 2.260 1.580) 4.659 4.744 ( 0.646 -2.639 -0.635) 2.790 4.958 ( -1.189 1.816 0.677) 2.273 5.113 ( 0.215 0.393 5.135) 5.154 5.408 ( -1.541 1.875 -2.621) 3.572 5.500 ( 2.564 0.603 4.240) 4.991 5.873 ( -2.690 3.399 3.198) 5.387 6.025 ( -0.260 3.027 0.377) 3.062 6.259 ( -1.724 -3.926 0.816) 4.365 6.336 ( 6.201 2.355 8.561) 10.830 6.475 ( -1.813 -7.287 -6.608) 10.003 6.696 ( 2.703 4.193 -8.230) 9.624 6.911 ( 0.781 -2.248 -1.298) 2.711 7.050 ( -0.523 5.730 0.286) 5.761 7.116 ( -5.071 -9.575 4.576) 11.762 7.245 ( -1.526 4.425 6.933) 8.365 7.330 ( 1.984 -2.795 -8.620) 9.277 7.557 ( -1.221 0.905 2.458) 2.889 7.722 ( -0.207 5.993 -8.624) 10.504 7.832 ( 1.149 0.328 -5.665) 5.790 8.097 ( 0.593 -1.211 -0.535) 1.451 8.477 ( -6.919 3.537 3.589) 8.560 8.664 ( 7.272 -5.073 -1.470) 8.987 8.921 ( 0.414 -4.531 2.124) 5.021 9.064 ( -2.338 3.931 -2.203) 5.076 9.378 ( 4.407 2.276 6.361) 8.067 9.396 ( 0.344 1.687 1.907) 2.569 9.532 ( -2.635 -2.833 -3.379) 5.137 9.652 ( 0.887 -0.097 1.515) 1.758 9.837 ( -0.222 -0.635 -1.651) 1.783 10.204 ( -0.632 0.514 -0.050) 0.816 10.310 ( -1.290 -1.880 -0.814) 2.421 10.433 ( -4.869 -3.572 0.656) 6.074 10.513 ( 3.793 -0.183 -0.678) 3.857 10.594 ( 4.577 5.027 2.463) 7.231 10.646 ( 0.293 -2.357 -0.268) 2.390 10.694 ( 0.288 0.400 -3.961) 3.992 11.127 ( 2.272 -2.887 -1.019) 3.812 11.208 ( -4.102 1.504 0.796) 4.441 11.377 ( -4.022 2.438 -0.013) 4.703 11.471 ( -3.417 1.833 2.349) 4.534 11.650 ( -0.174 3.527 0.862) 3.635 11.721 ( 6.974 -3.638 0.211) 7.869 11.826 ( -0.253 -2.813 0.296) 2.840 11.889 ( 1.708 0.494 2.135) 2.778 12.173 ( 2.891 1.586 1.482) 3.615 12.208 ( -5.688 7.867 -1.687) 9.854 12.236 ( -0.065 -4.413 -1.860) 4.790 12.349 ( -1.225 0.932 0.060) 1.541 12.464 ( 0.981 -2.331 -2.109) 3.293 12.663 ( -1.128 2.986 3.789) 4.954 12.679 ( -1.089 1.083 5.215) 5.437 12.855 ( 0.352 -0.406 0.902) 1.050 12.960 ( 1.331 -0.143 -4.584) 4.775 12.994 ( 1.464 -3.084 -7.790) 8.505 13.471 ( 0.587 1.487 0.412) 1.651 13.553 ( 1.547 -6.665 0.302) 6.849 13.599 ( -2.983 2.789 2.745) 4.920 13.763 ( -1.234 -3.615 3.332) 5.069 13.801 ( 2.871 1.602 -0.821) 3.389 13.987 ( -2.640 -1.858 1.084) 3.405 14.126 ( -5.493 7.604 -8.325) 12.542 14.232 ( 1.594 -0.781 1.868) 2.576 14.422 ( 2.887 -0.767 1.125) 3.193 14.473 ( 0.673 -1.782 1.350) 2.335 14.650 ( 1.647 -2.629 0.442) 3.134 14.914 ( 1.030 3.715 -2.332) 4.505 15.022 ( -5.507 1.176 4.014) 6.915 15.078 ( 4.659 -7.511 0.418) 8.848 15.162 ( 0.981 3.093 -2.654) 4.192 15.344 ( -3.559 6.821 -2.985) 8.253 15.548 ( 0.387 -4.458 1.791) 4.820 15.752 ( 2.514 -0.242 1.816) 3.110 17.058 ( 1.075 1.880 -2.135) 3.041 17.473 ( -1.012 -0.677 1.378) 1.839 18.017 ( 0.043 1.517 2.712) 3.108 18.171 ( 3.495 -7.620 0.266) 8.387 18.245 ( -3.238 5.406 -3.324) 7.125 18.936 ( -0.369 0.277 1.109) 1.201 21.649 ( -2.449 1.199 -1.908) 3.327 22.485 ( 9.644 -9.972 16.769) 21.763 22.807 ( -7.722 7.620 -14.492) 18.103 23.803 ( 0.756 0.075 -0.204) 0.787 ======================= Grid point 211 (93/141) ======================= q-point: (-0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( -3.982 0.560 -0.691) 4.081 2.812 ( -5.768 12.381 5.927) 14.889 3.011 ( -1.620 11.197 5.871) 12.746 3.881 ( -5.546 9.928 2.241) 11.591 4.113 ( -9.529 2.499 -11.111) 14.849 4.225 ( -1.270 10.403 -6.167) 12.160 4.254 ( -10.715 0.777 0.794) 10.773 4.464 ( -20.197 6.499 -1.550) 21.273 4.698 ( 2.770 4.341 -1.479) 5.358 4.826 ( -4.912 8.382 5.029) 10.939 5.179 ( 4.787 -0.370 6.269) 7.896 5.270 ( -8.994 9.524 4.789) 13.947 5.474 ( 3.137 6.426 1.273) 7.263 5.715 ( -3.278 8.448 3.021) 9.552 5.948 ( 1.848 4.205 1.850) 4.952 6.160 ( -3.035 9.487 -1.950) 10.150 6.379 ( 3.263 0.621 -3.054) 4.512 6.625 ( 1.733 9.622 -3.733) 10.466 6.710 ( 7.483 -11.062 5.286) 14.363 6.892 ( -1.956 -0.319 -6.727) 7.013 6.914 ( 1.162 7.952 0.211) 8.039 7.138 ( -3.093 1.243 -1.168) 3.532 7.226 ( -3.398 0.225 11.137) 11.646 7.308 ( -1.130 4.680 -8.900) 10.119 7.513 ( -0.727 -1.521 0.907) 1.914 7.721 ( -3.627 -4.059 1.941) 5.780 7.874 ( -2.000 -5.174 -0.617) 5.582 8.053 ( 1.596 5.568 -0.017) 5.793 8.235 ( -13.403 7.483 -2.590) 15.567 8.646 ( 0.543 11.708 -1.695) 11.842 8.953 ( 3.447 2.429 -1.312) 4.416 9.079 ( 2.468 -3.756 1.428) 4.715 9.365 ( 5.270 6.984 4.647) 9.907 9.370 ( 1.197 0.445 0.001) 1.277 9.523 ( -3.914 -0.806 -4.207) 5.802 9.720 ( 6.431 -2.578 0.212) 6.932 9.867 ( -1.691 -3.829 -0.233) 4.192 10.156 ( -5.999 2.853 1.535) 6.818 10.240 ( -7.608 7.198 -1.737) 10.617 10.334 ( -2.238 -3.176 -2.025) 4.381 10.528 ( 3.001 8.746 -0.898) 9.291 10.610 ( -4.514 0.258 0.525) 4.552 10.683 ( 9.142 -0.392 -2.703) 9.541 10.732 ( -4.951 -7.608 -0.583) 9.096 10.929 ( -13.085 11.484 -2.857) 17.643 11.123 ( -5.179 10.449 2.567) 11.941 11.321 ( 3.210 1.500 4.022) 5.360 11.462 ( 1.673 2.130 1.396) 3.047 11.607 ( 4.014 0.605 3.312) 5.239 11.770 ( -4.640 4.147 -1.498) 6.400 11.825 ( -6.906 3.163 1.429) 7.729 11.963 ( -1.281 2.617 4.222) 5.130 12.014 ( 8.682 -4.483 -1.429) 9.875 12.232 ( 4.565 -3.280 2.991) 6.368 12.316 ( -1.214 1.545 -0.058) 1.966 12.395 ( -0.984 -5.580 3.406) 6.611 12.530 ( 2.558 -4.485 -1.675) 5.428 12.648 ( 2.256 -1.418 1.832) 3.234 12.689 ( -1.702 -4.276 2.943) 5.463 12.820 ( 0.462 6.167 -2.301) 6.599 12.990 ( 3.571 -2.411 -3.448) 5.519 13.069 ( 1.626 -5.209 -5.120) 7.482 13.393 ( -2.568 8.285 -3.762) 9.454 13.467 ( -2.539 5.064 2.945) 6.385 13.549 ( -8.598 1.513 -0.232) 8.733 13.800 ( 0.393 -1.819 -2.403) 3.040 13.854 ( -0.595 -6.324 -2.638) 6.878 13.982 ( -0.442 5.466 -3.075) 6.287 14.116 ( 3.922 -10.152 14.156) 17.856 14.319 ( 3.541 -5.597 0.420) 6.637 14.481 ( 1.058 -3.482 -3.690) 5.183 14.514 ( 5.926 -5.940 -3.515) 9.097 14.808 ( 5.655 3.213 -0.990) 6.579 14.914 ( 1.183 -7.511 3.455) 8.352 14.996 ( -0.747 -5.789 0.229) 5.841 15.112 ( 0.546 2.519 -5.175) 5.781 15.263 ( 6.613 -6.930 1.176) 9.651 15.455 ( 5.543 -15.368 7.152) 17.834 15.690 ( 8.218 -6.670 -4.506) 11.503 15.841 ( 0.361 -8.993 -0.761) 9.032 17.049 ( 1.904 0.681 0.379) 2.058 17.443 ( 1.086 4.398 0.948) 4.629 17.881 ( -3.930 13.371 1.314) 13.998 18.045 ( -5.588 1.723 -3.670) 6.904 18.456 ( 5.234 -10.789 0.665) 12.010 18.920 ( -2.461 -0.070 1.091) 2.693 21.568 ( -3.543 4.819 2.229) 6.383 22.588 ( -7.217 5.996 -17.292) 19.673 22.810 ( 12.391 -11.577 13.815) 21.873 23.841 ( 1.149 -3.432 -0.594) 3.668 ======================= Grid point 212 (94/141) ======================= q-point: (-0.30 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( -5.784 0.627 4.241) 7.200 2.494 ( -7.144 19.078 14.728) 25.139 2.780 ( -2.583 15.568 11.402) 19.469 3.548 ( -17.128 15.517 -5.989) 23.875 3.868 ( -12.799 11.098 -10.512) 19.937 3.908 ( -20.092 16.198 0.277) 25.810 4.032 ( -13.296 9.981 1.587) 16.701 4.141 ( -13.900 13.358 -7.641) 20.737 4.423 ( -3.902 18.257 -1.087) 18.701 4.658 ( -4.070 12.890 4.312) 14.189 5.013 ( -7.371 11.735 13.390) 19.270 5.198 ( 1.043 4.757 -3.688) 6.109 5.349 ( -2.658 5.332 1.809) 6.226 5.577 ( -3.732 5.379 -5.653) 8.650 5.912 ( -1.637 6.122 -3.032) 7.025 5.997 ( 2.478 5.153 0.015) 5.718 6.311 ( 1.488 11.103 -0.090) 11.203 6.380 ( 4.048 13.942 -1.933) 14.646 6.800 ( 0.893 4.002 -0.351) 4.116 6.912 ( -0.117 -0.816 1.150) 1.415 6.959 ( 0.167 -7.234 6.032) 9.420 7.038 ( -0.369 11.699 1.808) 11.844 7.136 ( -1.474 -2.945 2.374) 4.060 7.271 ( -1.141 -1.980 -6.227) 6.633 7.563 ( -6.808 5.401 -0.239) 8.694 7.709 ( 4.357 -5.128 -0.141) 6.730 7.858 ( -14.258 5.436 5.012) 16.061 7.976 ( 0.658 -0.762 -3.160) 3.317 8.116 ( -1.113 -4.116 5.359) 6.848 8.522 ( 5.020 3.272 -4.127) 7.275 8.950 ( 3.954 1.586 -3.389) 5.444 9.107 ( 5.205 4.247 -1.071) 6.803 9.290 ( 4.194 7.955 6.691) 11.209 9.332 ( -4.529 2.518 -5.886) 7.842 9.528 ( 1.408 -2.638 -1.013) 3.158 9.721 ( -4.881 6.480 -0.725) 8.145 9.949 ( -2.567 -5.564 1.210) 6.246 10.062 ( 0.386 -3.576 -1.815) 4.029 10.124 ( -1.724 5.094 1.237) 5.518 10.331 ( -2.958 5.347 -2.241) 6.508 10.379 ( -5.057 2.195 -2.790) 6.178 10.578 ( -6.008 6.791 -3.747) 9.811 10.592 ( -2.087 2.455 0.246) 3.231 10.705 ( -5.181 2.863 -1.303) 6.061 10.769 ( -3.452 5.208 3.938) 7.386 10.935 ( -0.316 0.877 2.551) 2.716 11.308 ( 4.229 6.445 5.941) 9.732 11.385 ( -1.561 6.827 1.233) 7.111 11.507 ( -2.789 8.099 -0.214) 8.568 11.624 ( -3.927 5.282 -2.186) 6.936 11.876 ( -1.422 4.004 5.157) 6.682 11.908 ( 1.194 -5.601 7.872) 9.735 12.015 ( -6.389 6.176 -0.150) 8.888 12.249 ( 0.060 2.548 2.013) 3.248 12.343 ( 2.070 0.794 2.105) 3.057 12.492 ( 0.095 -3.671 -1.709) 4.050 12.587 ( -3.949 -3.161 -0.401) 5.074 12.662 ( -1.477 2.115 1.002) 2.767 12.731 ( 2.702 -0.478 -0.698) 2.831 12.898 ( 7.662 -12.458 0.729) 14.644 13.037 ( 4.863 1.810 -9.226) 10.585 13.148 ( -1.630 0.104 6.589) 6.789 13.216 ( 0.581 0.274 -8.627) 8.651 13.459 ( 2.463 -4.403 4.269) 6.609 13.493 ( -3.510 -0.588 -0.473) 3.590 13.839 ( -0.886 7.122 -2.305) 7.538 13.869 ( 0.233 -7.282 -2.660) 7.757 13.968 ( -3.147 -7.049 -4.789) 9.085 14.384 ( 7.149 -10.524 11.819) 17.366 14.476 ( 1.890 -9.689 -0.244) 9.874 14.605 ( 6.224 -6.685 -0.401) 9.142 14.703 ( 7.258 -2.975 1.017) 7.910 14.733 ( 2.904 1.114 -3.872) 4.966 15.073 ( 2.200 -1.269 0.523) 2.593 15.108 ( 2.561 -5.733 0.454) 6.295 15.154 ( 0.060 -11.112 1.270) 11.184 15.472 ( 10.352 -6.688 -2.292) 12.536 15.818 ( 8.734 -15.725 6.919) 19.273 15.861 ( 5.847 -6.886 -3.696) 9.761 16.094 ( 4.349 -18.496 -2.988) 19.233 17.072 ( 1.685 -0.929 2.404) 3.079 17.363 ( 0.192 5.525 0.665) 5.569 17.608 ( -0.061 14.922 -2.854) 15.193 17.951 ( -7.404 2.384 -1.807) 7.986 18.654 ( 3.649 -7.472 1.219) 8.405 18.904 ( -3.119 -1.281 0.045) 3.372 21.435 ( -4.209 7.134 4.660) 9.504 22.359 ( -10.602 7.751 -22.195) 25.789 23.173 ( 14.869 -12.710 13.728) 23.898 23.931 ( 1.252 -5.860 -0.836) 6.050 ======================= Grid point 213 (95/141) ======================= q-point: (-0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( -7.305 18.842 21.507) 29.511 2.213 ( -6.179 2.934 14.182) 15.745 2.470 ( -2.909 21.302 10.080) 23.745 3.054 ( -23.428 17.000 -9.334) 30.414 3.377 ( -25.522 18.101 12.171) 33.573 3.477 ( -11.600 19.559 -1.123) 22.768 3.587 ( -9.435 28.375 0.997) 29.919 3.798 ( -2.720 12.299 -8.615) 15.261 4.111 ( -21.572 4.444 -5.590) 22.724 4.429 ( -1.996 10.517 5.481) 12.027 4.806 ( -3.398 8.702 12.433) 15.551 4.962 ( -4.729 14.539 -11.896) 19.372 5.289 ( -5.441 3.430 -3.399) 7.275 5.327 ( -6.353 14.964 -18.213) 24.413 5.808 ( 0.443 1.616 -0.651) 1.798 5.939 ( 1.867 5.309 0.391) 5.642 6.170 ( -0.976 11.019 -1.919) 11.227 6.226 ( 7.271 6.643 -2.928) 10.274 6.766 ( 3.903 1.836 2.152) 4.820 6.856 ( -0.731 4.276 1.533) 4.601 6.948 ( 1.145 2.102 7.013) 7.411 7.077 ( -4.234 -7.029 7.044) 10.815 7.140 ( -7.969 0.880 -0.379) 8.026 7.288 ( -5.459 10.948 0.803) 12.260 7.316 ( 6.276 -0.482 -2.108) 6.638 7.683 ( -5.913 0.766 -4.852) 7.687 7.914 ( 6.710 -6.705 3.129) 9.989 8.062 ( 1.949 -8.395 -3.426) 9.275 8.203 ( 0.667 -2.834 12.066) 12.412 8.557 ( 2.195 -1.653 -4.753) 5.491 8.965 ( 4.458 1.448 -4.683) 6.626 9.064 ( 6.599 5.980 -5.090) 10.257 9.188 ( -5.173 3.880 0.798) 6.515 9.276 ( -0.299 -0.206 4.033) 4.050 9.529 ( -0.169 7.824 0.695) 7.856 9.598 ( -0.977 -3.874 -1.373) 4.224 9.971 ( -8.080 4.778 0.146) 9.388 9.992 ( -2.105 -1.329 -2.732) 3.696 10.116 ( -2.037 6.309 0.897) 6.690 10.246 ( -3.683 -7.969 -2.001) 9.004 10.278 ( 1.825 6.077 -5.522) 8.412 10.451 ( -8.506 7.905 1.851) 11.759 10.523 ( 5.443 -0.484 3.699) 6.599 10.640 ( -3.230 -2.539 3.937) 5.690 10.721 ( 0.704 0.692 -2.389) 2.585 10.979 ( 0.525 -2.771 5.095) 5.823 11.227 ( -0.161 8.594 4.117) 9.531 11.262 ( 1.805 4.608 3.608) 6.125 11.388 ( 0.557 4.243 -1.978) 4.714 11.514 ( -0.955 5.122 -0.745) 5.263 11.733 ( -13.140 5.877 4.238) 15.006 11.787 ( 2.586 12.083 4.247) 13.066 11.954 ( -7.926 4.012 -2.595) 9.255 12.172 ( -4.325 3.670 5.281) 7.750 12.325 ( 1.006 1.616 -2.914) 3.481 12.425 ( -3.874 5.840 -3.432) 7.803 12.598 ( -2.587 -3.071 -1.576) 4.313 12.657 ( -1.173 -2.157 3.031) 3.901 12.809 ( 1.283 -2.542 3.556) 4.555 12.930 ( -0.068 5.017 1.275) 5.177 13.129 ( 5.915 -3.655 -3.894) 7.969 13.240 ( 4.490 -5.681 -0.681) 7.273 13.358 ( 5.664 -11.260 -6.099) 14.003 13.476 ( -3.249 -1.672 1.615) 3.995 13.606 ( 3.095 -6.213 3.335) 7.700 13.733 ( 1.361 3.680 -2.889) 4.873 14.007 ( 1.778 -4.964 -3.061) 6.097 14.038 ( -2.414 -6.763 -2.185) 7.506 14.574 ( 3.917 -3.934 3.755) 6.702 14.676 ( 1.921 -10.493 -0.270) 10.671 14.710 ( 6.476 -0.766 -4.414) 7.874 14.760 ( 3.173 -3.734 6.109) 7.831 14.886 ( 5.995 -5.663 2.818) 8.715 15.084 ( -1.793 -1.770 -0.723) 2.621 15.233 ( 3.401 -4.320 3.784) 6.674 15.378 ( 6.247 -8.556 0.032) 10.594 15.639 ( 11.131 -3.172 -3.253) 12.022 16.000 ( 0.235 -7.476 -2.843) 8.002 16.176 ( 9.615 -12.944 10.199) 19.079 16.481 ( 6.496 -20.402 -3.857) 21.756 17.110 ( -0.201 -1.569 3.078) 3.461 17.281 ( -4.310 1.075 -0.629) 4.486 17.417 ( 10.785 12.120 -4.529) 16.844 17.814 ( -7.807 4.599 -1.547) 9.192 18.780 ( 1.579 -4.341 1.509) 4.860 18.900 ( -2.855 -1.520 -0.979) 3.380 21.274 ( -4.139 7.855 4.968) 10.174 22.015 ( -17.821 12.865 -23.990) 32.536 23.560 ( 16.052 -12.606 12.092) 23.723 24.047 ( 0.708 -6.556 -0.964) 6.664 ======================= Grid point 214 (96/141) ======================= q-point: (-0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( -6.780 16.626 30.749) 35.607 1.958 ( -9.666 25.700 30.007) 40.674 2.223 ( -1.746 1.870 -8.008) 8.407 2.568 ( -14.161 14.170 -11.486) 23.092 2.955 ( -13.961 10.738 8.753) 19.668 3.081 ( -13.214 12.927 2.415) 18.642 3.149 ( 5.457 17.928 31.147) 36.350 3.606 ( -2.729 5.840 -6.866) 9.417 3.833 ( -22.918 1.725 -7.227) 24.092 4.299 ( -3.089 1.098 -2.509) 4.129 4.612 ( -5.396 11.927 -13.378) 18.717 4.765 ( 4.874 5.540 4.804) 8.805 4.937 ( -3.940 14.964 -20.539) 25.716 5.143 ( -8.417 6.712 -4.593) 11.705 5.812 ( -2.702 -2.436 -1.348) 3.880 5.890 ( 2.782 2.133 -7.840) 8.588 6.000 ( -0.579 7.438 5.137) 9.058 6.180 ( 4.224 5.120 -8.522) 10.802 6.796 ( 1.258 0.599 2.472) 2.838 6.812 ( 1.220 0.963 2.048) 2.571 6.933 ( -0.665 1.649 4.863) 5.178 6.965 ( -0.242 6.180 1.325) 6.325 7.120 ( -5.221 -0.764 7.178) 8.909 7.200 ( -0.734 1.153 -4.853) 5.042 7.442 ( 4.672 -7.973 6.697) 11.413 7.663 ( -0.531 -1.656 -5.872) 6.124 8.029 ( 2.886 -2.421 7.712) 8.583 8.228 ( 2.173 0.465 5.594) 6.019 8.271 ( 5.405 -7.363 -4.874) 10.353 8.540 ( -3.671 2.277 -9.733) 10.649 8.941 ( 1.788 3.194 -1.004) 3.796 9.028 ( -1.902 2.243 -1.995) 3.553 9.126 ( 5.190 1.654 -2.132) 5.850 9.237 ( -9.576 0.994 1.480) 9.740 9.583 ( 3.909 -8.262 0.963) 9.191 9.640 ( 0.469 -1.538 -2.325) 2.827 9.817 ( -3.195 1.656 4.326) 5.627 10.001 ( -4.215 -1.275 -4.688) 6.432 10.060 ( 1.309 -1.400 7.175) 7.426 10.225 ( 1.974 1.343 -5.618) 6.105 10.276 ( -2.961 5.067 -0.980) 5.950 10.286 ( -3.767 -0.341 -4.491) 5.872 10.640 ( 4.346 -1.058 7.207) 8.482 10.674 ( 1.240 -4.066 0.766) 4.319 10.758 ( 6.827 -1.629 2.606) 7.487 11.034 ( -4.170 -2.155 2.001) 5.103 11.108 ( 1.407 3.992 7.697) 8.784 11.245 ( 1.591 -1.127 1.531) 2.479 11.372 ( 7.076 2.118 -1.475) 7.532 11.424 ( 0.196 5.164 0.591) 5.202 11.534 ( -9.772 2.667 2.017) 10.328 11.639 ( 1.233 10.552 3.080) 11.062 11.730 ( -7.606 8.047 -3.482) 11.608 11.988 ( -15.108 8.292 -3.667) 17.620 12.304 ( 0.200 1.311 -2.159) 2.534 12.324 ( -0.407 2.214 -1.791) 2.877 12.617 ( -1.874 -1.849 -0.769) 2.743 12.673 ( -4.791 -0.533 -1.096) 4.944 12.820 ( -0.848 -0.193 9.414) 9.454 12.895 ( 4.743 2.614 2.563) 5.992 13.236 ( 3.794 -3.052 2.256) 5.366 13.367 ( 1.052 -3.553 2.308) 4.365 13.428 ( 1.210 -2.187 -2.686) 3.669 13.589 ( -0.733 -7.819 -5.884) 9.813 13.684 ( 4.330 0.751 -0.468) 4.419 13.746 ( 2.330 -1.618 -2.318) 3.664 14.042 ( 2.303 -0.821 -0.932) 2.616 14.119 ( -0.704 -1.611 -1.285) 2.177 14.658 ( 2.410 -1.872 6.906) 7.550 14.766 ( 4.085 -0.789 -3.149) 5.218 14.827 ( -0.571 -2.545 0.879) 2.753 14.841 ( 1.074 -5.562 -3.232) 6.521 15.031 ( 3.822 -4.910 5.598) 8.370 15.144 ( 2.037 -7.434 -4.177) 8.767 15.288 ( 0.018 2.503 7.790) 8.182 15.449 ( 4.753 5.119 -7.393) 10.171 15.880 ( 12.182 -11.004 2.870) 16.666 16.082 ( -1.285 -3.363 -0.459) 3.629 16.470 ( 13.106 -7.352 8.405) 17.218 16.794 ( -4.667 -12.094 -2.054) 13.125 17.135 ( 2.205 -1.537 2.458) 3.642 17.270 ( -4.071 -4.431 -4.314) 7.404 17.402 ( 16.367 5.083 -1.114) 17.174 17.653 ( -8.558 4.388 -1.553) 9.742 18.837 ( -0.102 -1.493 1.204) 1.920 18.892 ( -2.253 -0.646 -1.342) 2.700 21.135 ( -2.033 4.792 2.939) 5.978 21.511 ( -23.456 17.078 -15.776) 33.026 23.922 ( 14.578 -9.631 6.984) 18.817 24.144 ( -1.082 -4.904 -0.967) 5.115 ======================= Grid point 216 (97/141) ======================= q-point: ( 0.10 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( 17.865 -0.000 28.119) 33.314 2.083 ( 30.017 -0.000 16.027) 34.027 2.345 ( 22.014 -0.000 -18.330) 28.646 2.463 ( 10.630 -0.000 -17.731) 20.674 2.955 ( 12.789 -0.000 11.532) 17.220 2.955 ( 13.502 -0.000 2.354) 13.706 3.352 ( 4.747 -0.000 19.975) 20.531 3.497 ( 3.670 -0.000 -2.795) 4.613 4.051 ( 34.708 -0.000 16.611) 38.478 4.385 ( 17.680 -0.000 -26.175) 31.587 4.493 ( 4.532 -0.000 10.728) 11.646 4.635 ( 2.955 -0.000 -23.512) 23.697 4.848 ( -3.738 0.000 -2.667) 4.592 5.057 ( 10.962 -0.000 9.042) 14.210 5.702 ( -3.775 0.000 1.677) 4.131 5.892 ( 0.268 -0.000 -1.620) 1.642 6.003 ( 1.779 -0.000 0.356) 1.815 6.099 ( -1.040 0.000 -10.956) 11.006 6.796 ( 4.168 -0.000 1.150) 4.323 6.827 ( -4.935 0.000 -0.267) 4.942 6.969 ( 6.705 -0.000 -1.645) 6.904 6.973 ( -2.822 0.000 -3.177) 4.249 7.117 ( 4.257 -0.000 5.286) 6.787 7.292 ( 9.769 -0.000 -2.385) 10.056 7.517 ( -3.476 0.000 5.990) 6.925 7.711 ( -0.316 0.000 -9.940) 9.945 8.083 ( -8.319 0.000 -5.651) 10.057 8.119 ( -10.225 0.000 -0.314) 10.230 8.305 ( 3.836 -0.000 12.349) 12.931 8.409 ( -7.283 0.000 -2.868) 7.827 8.828 ( -6.101 0.000 6.835) 9.162 8.876 ( -3.126 0.000 0.436) 3.156 9.165 ( 7.935 -0.000 -1.223) 8.029 9.381 ( 9.233 -0.000 -2.664) 9.610 9.496 ( -13.081 0.000 8.391) 15.541 9.678 ( 4.312 -0.000 1.119) 4.455 9.873 ( 6.892 -0.000 1.100) 6.979 9.893 ( -5.349 0.000 6.897) 8.728 10.142 ( 0.683 -0.000 -0.856) 1.095 10.165 ( 4.121 -0.000 1.699) 4.457 10.200 ( -0.986 0.000 -4.150) 4.266 10.427 ( 9.641 -0.000 -5.425) 11.063 10.585 ( -2.946 0.000 3.022) 4.220 10.727 ( -9.094 0.000 -6.147) 10.977 10.865 ( 3.309 -0.000 -2.194) 3.970 11.084 ( 6.911 -0.000 -0.561) 6.934 11.164 ( -7.296 0.000 8.310) 11.058 11.236 ( -6.683 0.000 -6.240) 9.143 11.240 ( 0.329 -0.000 7.903) 7.910 11.407 ( 3.125 -0.000 -3.151) 4.438 11.554 ( 3.192 -0.000 -0.535) 3.237 11.568 ( 11.312 -0.000 3.769) 11.924 11.858 ( 13.719 -0.000 -6.828) 15.325 11.890 ( 14.061 -0.000 8.437) 16.397 12.246 ( -1.762 0.000 -0.222) 1.776 12.360 ( 2.414 -0.000 -3.758) 4.466 12.606 ( 1.038 -0.000 4.410) 4.530 12.704 ( 5.952 -0.000 0.484) 5.972 12.855 ( -0.383 0.000 3.638) 3.658 12.931 ( -1.706 0.000 -2.966) 3.422 13.366 ( -0.349 0.000 7.365) 7.373 13.369 ( -0.090 0.000 -3.237) 3.238 13.494 ( -5.368 0.000 -7.403) 9.144 13.527 ( -6.505 0.000 1.469) 6.669 13.599 ( -1.186 0.000 -4.055) 4.225 13.750 ( -2.800 0.000 -4.319) 5.147 13.889 ( -8.625 0.000 0.864) 8.668 14.150 ( -3.752 0.000 4.170) 5.609 14.693 ( -4.774 0.000 2.910) 5.591 14.760 ( -4.501 0.000 -4.216) 6.167 14.843 ( -3.616 0.000 1.559) 3.937 14.912 ( 4.910 -0.000 -6.443) 8.101 15.060 ( -7.532 0.000 1.798) 7.744 15.113 ( -4.196 0.000 6.723) 7.925 15.260 ( -3.353 0.000 -5.895) 6.782 15.426 ( 2.445 -0.000 -8.124) 8.484 15.882 ( -12.183 0.000 -1.153) 12.238 16.237 ( -0.547 0.000 -9.597) 9.612 16.440 ( -15.234 0.000 -0.842) 15.257 16.991 ( -20.700 0.000 10.379) 23.156 17.094 ( 7.322 -0.000 -3.293) 8.029 17.137 ( -8.281 0.000 -2.814) 8.746 17.292 ( 1.465 -0.000 2.933) 3.278 17.647 ( 5.377 -0.000 0.694) 5.422 18.869 ( 0.530 -0.000 -0.750) 0.919 18.901 ( 3.659 -0.000 1.617) 4.000 21.089 ( 10.432 -0.000 2.574) 10.745 21.450 ( 20.966 -0.000 6.742) 22.023 23.963 ( -13.150 0.000 -4.568) 13.921 24.147 ( -6.181 0.000 1.453) 6.350 ======================= Grid point 217 (98/141) ======================= q-point: ( 0.20 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.233 ( 24.309 -0.196 18.586) 30.601 2.476 ( 23.626 -3.423 -13.674) 27.512 2.638 ( 19.302 -20.076 -2.207) 27.937 2.706 ( 12.333 -12.463 -2.811) 17.758 3.183 ( 21.497 -9.704 3.849) 23.898 3.215 ( 9.255 -9.955 8.886) 16.239 3.603 ( 18.358 -8.878 5.166) 21.036 3.618 ( 15.852 -10.945 0.835) 19.281 4.364 ( 12.158 3.469 -0.202) 12.645 4.380 ( 28.158 4.232 8.385) 29.683 4.687 ( 4.132 -12.731 -7.074) 15.139 4.861 ( 2.108 -9.017 -8.073) 12.285 4.953 ( 12.244 -17.401 -2.538) 21.428 5.188 ( 7.978 -2.039 6.862) 10.719 5.716 ( -1.824 -4.103 3.070) 5.439 5.917 ( 1.408 -3.728 -3.082) 5.038 6.021 ( 1.566 -1.696 -1.293) 2.646 6.107 ( -3.185 -3.992 -8.501) 9.917 6.752 ( -5.655 2.288 -0.767) 6.149 6.869 ( 6.070 0.341 0.650) 6.114 6.956 ( -3.272 -3.431 -1.649) 5.019 7.122 ( 7.307 -8.180 -0.331) 10.974 7.180 ( 5.342 -3.350 2.442) 6.762 7.387 ( 11.696 1.299 -4.860) 12.732 7.402 ( -4.257 7.664 -1.833) 8.957 7.656 ( 1.262 3.096 -1.057) 3.507 7.958 ( -7.598 8.206 3.515) 11.723 8.027 ( -8.298 -4.645 -7.951) 12.395 8.306 ( -8.017 -1.881 5.905) 10.133 8.465 ( 0.060 -7.685 7.803) 10.952 8.794 ( -4.485 -0.472 1.822) 4.864 8.828 ( -2.411 3.721 3.735) 5.798 9.250 ( 6.904 1.250 -1.267) 7.130 9.338 ( -8.483 1.839 3.491) 9.356 9.472 ( 7.258 -0.997 -2.199) 7.649 9.698 ( 6.145 3.455 2.325) 7.423 9.866 ( -5.572 -2.349 7.368) 9.532 9.988 ( 8.948 -3.158 0.326) 9.495 10.152 ( 5.158 3.902 -1.514) 6.642 10.181 ( -2.741 -8.801 -7.067) 11.616 10.303 ( 10.364 -1.582 2.662) 10.816 10.500 ( 7.325 -1.011 -2.743) 7.887 10.558 ( -3.607 2.580 0.545) 4.468 10.655 ( -3.132 -2.575 -4.332) 5.933 10.833 ( 2.394 5.992 -2.321) 6.857 11.114 ( 2.062 3.698 -0.414) 4.254 11.144 ( -5.895 -7.216 -0.726) 9.346 11.235 ( 1.457 -3.616 -3.707) 5.380 11.301 ( 4.728 -3.644 4.285) 7.348 11.463 ( 4.766 -1.766 0.018) 5.082 11.647 ( 4.983 -7.567 -0.436) 9.071 11.781 ( 12.169 -7.206 5.807) 15.288 11.946 ( 11.166 -0.994 -2.770) 11.548 12.097 ( 6.094 -5.090 5.961) 9.929 12.255 ( -0.967 -2.987 -0.735) 3.225 12.379 ( 1.187 -0.672 -3.585) 3.836 12.603 ( 1.093 2.307 4.930) 5.552 12.730 ( 3.006 2.295 -0.258) 3.791 12.854 ( 0.188 2.093 3.904) 4.434 12.922 ( -0.631 -2.591 -3.860) 4.691 13.238 ( -7.590 7.203 1.193) 10.532 13.313 ( -4.696 10.986 -6.354) 13.532 13.352 ( -4.639 1.224 -0.965) 4.894 13.517 ( -2.297 -1.317 3.725) 4.570 13.622 ( -2.733 -2.313 -5.873) 6.878 13.682 ( -5.821 1.362 -2.146) 6.352 13.874 ( -3.034 -5.259 2.373) 6.518 14.072 ( -2.440 6.011 7.556) 9.959 14.602 ( -7.492 3.890 3.994) 9.339 14.664 ( -8.028 3.105 -4.138) 9.551 14.734 ( -5.544 6.287 2.089) 8.639 14.924 ( 0.174 2.922 -5.872) 6.561 14.978 ( -5.730 1.975 -3.386) 6.942 15.135 ( -8.353 -3.490 7.273) 11.612 15.169 ( 0.811 2.212 -3.649) 4.344 15.393 ( -4.217 3.133 -7.212) 8.923 15.714 ( -11.678 5.113 -6.816) 14.456 16.125 ( -6.418 5.016 -6.594) 10.480 16.272 ( -12.240 5.441 1.228) 13.451 16.666 ( -20.432 13.084 7.191) 25.305 17.006 ( -8.315 -3.286 2.227) 9.214 17.209 ( -1.791 -1.059 -2.273) 3.082 17.352 ( 12.165 -0.005 -1.635) 12.274 17.765 ( 6.158 -6.431 0.656) 8.928 18.852 ( 0.042 2.727 -0.597) 2.792 18.931 ( 3.709 0.939 1.581) 4.139 21.275 ( 11.831 -6.688 -2.165) 13.762 21.714 ( 19.064 -4.894 12.039) 23.072 23.739 ( -14.632 8.465 -5.166) 17.676 24.059 ( -8.678 1.491 1.449) 8.923 ======================= Grid point 218 (99/141) ======================= q-point: ( 0.30 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.441 ( 24.924 6.919 7.118) 26.828 2.723 ( 20.481 -4.583 -17.861) 27.559 3.015 ( 12.863 -10.776 -20.775) 26.705 3.150 ( 13.060 -16.943 24.220) 32.315 3.516 ( 2.342 -20.527 6.859) 21.768 3.625 ( 20.359 -13.623 10.067) 26.485 3.947 ( 24.870 -11.263 3.808) 27.566 4.165 ( 25.271 -19.506 -3.037) 32.067 4.423 ( 12.978 2.789 2.346) 13.480 4.593 ( 5.085 -8.077 -7.392) 12.072 4.922 ( 4.368 -7.590 5.045) 10.106 5.045 ( 7.282 -10.591 -3.537) 13.331 5.281 ( 3.748 -7.624 4.349) 9.544 5.396 ( 9.349 -12.724 2.802) 16.036 5.764 ( -2.950 -5.103 -1.157) 6.006 6.029 ( 4.123 -2.416 -6.172) 7.806 6.114 ( 1.890 -9.650 -2.006) 10.036 6.177 ( 0.110 -9.170 -3.456) 9.801 6.675 ( -4.915 -0.728 0.263) 4.975 6.830 ( -5.538 6.634 7.486) 11.433 6.983 ( -0.291 -1.951 -2.301) 3.031 7.184 ( 0.507 -0.253 0.463) 0.731 7.301 ( 4.809 2.179 -4.989) 7.264 7.413 ( 7.543 3.209 -8.658) 11.923 7.502 ( 13.514 -12.108 -3.180) 18.421 7.688 ( 6.370 -3.544 8.111) 10.905 7.791 ( -3.141 4.206 -0.180) 5.253 8.013 ( -4.276 -2.790 -6.267) 8.084 8.277 ( -7.306 -0.713 9.232) 11.795 8.551 ( 6.730 5.175 -4.827) 9.766 8.716 ( -7.625 -0.113 9.369) 12.080 8.808 ( -6.905 -7.614 0.570) 10.295 9.223 ( -6.377 -5.054 -3.546) 8.876 9.389 ( 5.320 -1.963 0.073) 5.671 9.511 ( 2.956 1.967 -2.379) 4.274 9.715 ( 5.688 2.110 5.109) 7.932 9.895 ( -4.046 -4.984 5.981) 8.774 10.100 ( 1.909 0.144 -4.052) 4.482 10.120 ( 5.051 3.305 1.010) 6.121 10.359 ( 4.728 -7.366 -1.839) 8.944 10.396 ( 12.137 -2.256 0.507) 12.355 10.473 ( 0.269 2.006 0.204) 2.035 10.685 ( 10.115 -6.621 -1.244) 12.153 10.687 ( 0.192 -1.335 -3.580) 3.826 10.761 ( 2.956 1.129 -0.942) 3.302 11.071 ( 3.519 3.813 -3.050) 6.019 11.229 ( -2.910 -7.281 -1.290) 7.947 11.327 ( 3.886 -4.425 -1.672) 6.122 11.451 ( 6.114 -6.538 -0.891) 8.995 11.550 ( 4.366 -3.320 1.101) 5.595 11.841 ( 2.819 -8.660 -0.600) 9.127 12.002 ( 9.854 -3.224 4.217) 11.193 12.053 ( 3.356 0.436 -1.141) 3.571 12.203 ( 2.355 -6.109 7.004) 9.587 12.284 ( -3.324 -2.583 -5.755) 7.130 12.382 ( -3.961 -0.439 1.936) 4.431 12.593 ( 2.544 0.561 3.236) 4.154 12.696 ( -2.129 2.492 0.417) 3.304 12.819 ( -1.304 0.013 0.238) 1.326 12.924 ( -1.860 8.127 -0.514) 8.353 13.035 ( -2.871 7.537 -3.021) 8.613 13.111 ( -3.774 5.379 3.890) 7.636 13.280 ( -3.723 -3.084 -9.253) 10.440 13.504 ( -1.989 1.912 0.216) 2.768 13.556 ( -4.360 1.533 -0.969) 4.722 13.685 ( -1.390 -5.214 0.936) 5.477 13.929 ( -0.363 1.964 1.184) 2.322 13.968 ( 1.362 4.840 8.290) 9.695 14.465 ( -7.211 5.464 4.800) 10.242 14.525 ( -7.946 1.541 -0.982) 8.153 14.561 ( -5.798 7.215 0.615) 9.276 14.754 ( -7.444 10.795 1.219) 13.169 14.844 ( -6.805 5.473 -7.963) 11.818 15.083 ( -8.666 -1.221 2.452) 9.088 15.204 ( -1.544 -1.265 1.078) 2.268 15.256 ( -1.956 5.273 -7.715) 9.547 15.483 ( -10.237 7.474 -8.062) 15.022 15.909 ( -7.386 13.265 0.915) 15.210 16.034 ( -13.129 7.096 -2.137) 15.077 16.268 ( -11.609 15.982 5.135) 20.410 17.059 ( -9.645 -11.258 3.595) 15.254 17.164 ( -2.450 1.915 -2.647) 4.084 17.514 ( 13.248 -5.172 -2.928) 14.520 17.939 ( 6.911 -5.689 0.811) 8.988 18.769 ( -0.957 6.567 -0.417) 6.650 18.947 ( 2.983 1.337 1.007) 3.420 21.481 ( 9.259 -5.934 -5.470) 12.283 21.984 ( 13.234 -5.424 16.361) 21.732 23.424 ( -13.700 10.719 -6.548) 18.587 23.945 ( -8.500 2.246 0.776) 8.826 ======================= Grid point 219 (100/141) ======================= q-point: ( 0.40 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.519 ( 21.978 10.766 -1.247) 24.505 2.948 ( 18.399 -2.109 -8.985) 20.584 3.199 ( 12.339 -1.698 -15.049) 19.535 3.602 ( 10.467 -18.896 22.475) 31.173 3.887 ( 7.805 -13.506 -0.580) 15.610 4.003 ( 12.447 -9.271 12.429) 19.884 4.402 ( 18.667 -13.360 4.800) 23.452 4.449 ( 3.324 4.039 -1.886) 5.560 4.565 ( 10.213 -6.355 -6.206) 13.535 4.805 ( 9.850 -10.340 -3.551) 14.716 5.036 ( -3.157 -5.141 7.845) 9.896 5.283 ( 3.087 -9.449 -4.228) 10.802 5.449 ( 3.372 -4.568 -0.465) 5.697 5.594 ( 2.133 -10.089 2.205) 10.545 5.885 ( -1.260 -9.705 1.948) 9.979 6.063 ( 4.670 -1.926 -7.440) 8.993 6.283 ( -3.289 -4.143 -1.211) 5.427 6.400 ( 4.619 -15.795 -8.401) 18.477 6.618 ( -6.691 5.063 14.817) 17.028 6.736 ( -1.793 -6.271 2.268) 6.905 6.995 ( 0.702 3.022 1.316) 3.370 7.174 ( 4.763 2.636 -5.134) 7.483 7.342 ( 4.331 0.341 -0.105) 4.346 7.394 ( 6.708 3.172 -9.540) 12.086 7.678 ( 5.773 4.210 -4.332) 8.356 7.750 ( 2.432 -3.009 2.921) 4.848 7.849 ( -3.369 -6.137 -1.573) 7.175 8.157 ( -0.314 7.559 3.273) 8.244 8.193 ( 8.010 -13.770 1.385) 15.990 8.514 ( 10.052 2.785 -7.468) 12.829 8.720 ( -6.311 -5.548 9.045) 12.347 8.926 ( -10.718 -14.339 -0.188) 17.903 9.279 ( -5.809 -7.554 -1.829) 9.704 9.435 ( 6.344 3.919 -2.403) 7.834 9.499 ( 1.679 -0.211 0.050) 1.693 9.706 ( -1.105 3.627 5.229) 6.458 9.933 ( -4.842 -1.835 -1.822) 5.489 10.047 ( 2.405 0.212 5.824) 6.305 10.177 ( 2.535 -1.734 -0.656) 3.140 10.430 ( 2.064 0.976 1.237) 2.597 10.522 ( 11.964 -0.861 -0.981) 12.035 10.611 ( 5.971 1.580 -0.826) 6.232 10.652 ( 1.134 -2.840 1.203) 3.286 10.767 ( 1.769 -7.493 -1.988) 7.951 10.959 ( 8.637 0.108 -4.636) 9.803 11.096 ( 12.534 -4.852 -0.536) 13.451 11.302 ( -2.039 -3.806 -1.816) 4.685 11.430 ( 2.555 -3.677 -0.349) 4.491 11.575 ( -0.551 -2.724 -0.481) 2.821 11.672 ( 1.723 -7.093 -0.523) 7.318 11.891 ( -0.961 3.448 5.062) 6.200 12.011 ( -2.524 3.354 -3.520) 5.478 12.057 ( 5.180 1.256 -1.062) 5.434 12.269 ( -5.923 3.384 0.784) 6.867 12.314 ( 1.613 -2.097 -1.386) 2.987 12.400 ( -0.672 -6.550 3.479) 7.447 12.606 ( -2.326 0.835 2.318) 3.388 12.654 ( -2.096 2.395 0.540) 3.228 12.710 ( -3.550 3.081 -2.573) 5.359 12.774 ( -5.699 1.676 -5.008) 7.770 12.949 ( 1.381 3.289 2.979) 4.648 13.061 ( 0.773 -0.164 3.722) 3.805 13.328 ( 1.710 -0.672 -6.678) 6.926 13.504 ( 3.554 -4.064 -2.963) 6.158 13.553 ( 2.521 -2.166 1.257) 3.554 13.748 ( -1.863 -0.255 4.285) 4.679 13.874 ( 3.853 1.725 3.108) 5.242 13.921 ( -2.267 2.156 0.685) 3.203 14.296 ( -6.610 5.650 7.323) 11.368 14.397 ( -4.693 6.510 -2.432) 8.385 14.446 ( -10.534 3.284 -1.688) 11.162 14.518 ( -6.573 4.782 4.982) 9.534 14.686 ( -4.240 3.435 -5.522) 7.764 14.996 ( -8.586 1.428 0.434) 8.714 15.103 ( -3.668 5.224 -4.900) 8.047 15.203 ( 0.341 6.476 -2.881) 7.096 15.299 ( -4.569 1.235 -1.729) 5.039 15.584 ( -9.907 13.490 1.794) 16.833 15.775 ( -10.609 9.904 -4.252) 15.123 15.954 ( -5.299 11.893 5.110) 13.987 17.108 ( -1.768 1.166 -3.222) 3.856 17.178 ( -10.004 -12.646 2.667) 16.344 17.764 ( 12.450 -9.929 -1.888) 16.036 18.070 ( 6.849 -1.287 1.675) 7.167 18.616 ( -1.306 10.070 -0.517) 10.167 18.947 ( 0.870 1.068 0.518) 1.472 21.624 ( 7.206 -2.616 -4.899) 9.098 22.214 ( 9.273 -6.102 17.533) 20.751 23.112 ( -11.260 10.223 -9.204) 17.777 23.833 ( -8.135 1.310 -0.003) 8.239 ======================= Grid point 220 (101/141) ======================= q-point: ( 0.50 0.10 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.513 ( 18.375 12.361 -2.809) 22.324 3.091 ( 15.202 3.985 -1.731) 15.810 3.278 ( 11.785 3.991 -7.312) 14.432 4.026 ( 7.338 -15.129 11.178) 20.191 4.081 ( 7.315 -1.550 0.363) 7.486 4.167 ( -1.051 -1.684 1.105) 2.271 4.356 ( 1.136 6.609 -0.866) 6.762 4.603 ( -0.733 -0.225 3.514) 3.596 4.719 ( 0.255 -1.287 1.589) 2.060 4.980 ( 5.072 -2.402 -1.134) 5.726 5.089 ( 1.383 -4.036 4.075) 5.900 5.366 ( -3.760 -2.787 -4.049) 6.188 5.509 ( 1.726 -2.049 0.965) 2.847 5.834 ( 2.768 -7.093 -0.278) 7.619 6.003 ( -1.833 -6.693 2.159) 7.268 6.169 ( 0.663 -1.296 2.544) 2.931 6.277 ( -0.508 -9.906 -7.603) 12.498 6.474 ( 1.709 2.167 2.763) 3.905 6.752 ( 5.198 -6.780 -2.775) 8.983 6.878 ( -3.740 3.341 -3.158) 5.927 6.894 ( 0.806 -10.489 7.549) 12.948 7.178 ( 6.466 5.126 -0.864) 8.297 7.330 ( 2.587 3.805 2.697) 5.333 7.384 ( 4.190 4.764 -2.167) 6.704 7.611 ( 2.062 6.345 -4.172) 7.868 7.763 ( 0.566 -0.280 -0.488) 0.798 7.939 ( -3.684 10.275 -6.239) 12.573 7.999 ( 1.955 -8.642 -1.990) 9.082 8.438 ( -4.049 -2.295 5.096) 6.901 8.622 ( 6.903 -5.513 -2.746) 9.251 8.845 ( 4.407 -8.346 4.990) 10.676 9.018 ( -8.145 -6.253 -1.540) 10.383 9.351 ( -1.968 -7.216 -1.217) 7.577 9.424 ( 3.790 1.009 -3.835) 5.486 9.524 ( 3.102 2.967 2.778) 5.113 9.644 ( -0.867 -0.177 2.254) 2.421 9.889 ( 1.317 3.917 -0.267) 4.141 10.111 ( -6.955 -6.819 4.946) 10.924 10.217 ( -0.222 -0.302 0.137) 0.400 10.415 ( 0.612 2.597 1.148) 2.905 10.528 ( -5.264 0.715 -3.338) 6.275 10.619 ( 6.452 0.839 -0.639) 6.537 10.731 ( 7.918 2.461 1.244) 8.384 10.940 ( 11.215 8.259 -4.523) 14.644 10.963 ( 0.707 -8.233 1.705) 8.438 11.260 ( 3.543 -0.049 1.618) 3.895 11.359 ( 0.899 -2.072 -0.734) 2.375 11.458 ( -2.138 -0.553 1.379) 2.604 11.612 ( 5.394 -6.941 -2.474) 9.132 11.726 ( -7.336 -0.683 -0.966) 7.431 11.851 ( -0.316 3.705 4.877) 6.133 11.920 ( -1.588 4.297 -0.035) 4.581 12.103 ( 5.358 -5.144 -4.647) 8.761 12.229 ( 2.722 -1.633 -0.337) 3.192 12.314 ( -3.587 4.722 -2.996) 6.643 12.345 ( -4.225 3.604 1.145) 5.671 12.528 ( 2.997 6.181 1.312) 6.993 12.604 ( -6.374 -2.375 0.884) 6.859 12.722 ( -0.554 0.930 4.522) 4.649 12.806 ( 2.267 -7.307 -5.477) 9.409 12.897 ( -4.537 0.330 -0.828) 4.624 13.067 ( 5.914 4.023 -1.527) 7.314 13.410 ( 1.347 -7.174 0.206) 7.302 13.544 ( 2.895 1.808 0.919) 3.535 13.652 ( 4.651 -0.575 5.925) 7.554 13.712 ( -5.070 0.352 -1.152) 5.211 13.832 ( -1.990 1.403 4.353) 4.988 13.953 ( 0.792 -0.431 -0.798) 1.205 14.173 ( -7.227 7.528 -5.705) 11.893 14.229 ( 0.415 -0.780 0.421) 0.979 14.410 ( 0.249 -5.824 4.310) 7.249 14.434 ( -5.212 0.979 2.296) 5.779 14.584 ( -7.933 1.753 -3.621) 8.895 14.920 ( -7.888 -0.385 -1.916) 8.127 15.002 ( 2.650 0.269 1.063) 2.868 15.108 ( 2.296 4.691 -0.895) 5.299 15.238 ( -1.372 6.449 -4.147) 7.789 15.372 ( -5.972 0.476 -0.409) 6.005 15.525 ( -6.412 6.360 1.500) 9.155 15.787 ( -2.974 4.331 1.028) 5.353 17.078 ( -0.302 0.410 -4.026) 4.058 17.291 ( -9.776 -11.312 2.395) 15.142 18.049 ( 8.407 -9.347 -3.277) 12.992 18.121 ( 7.371 1.586 4.963) 9.027 18.409 ( -0.546 13.133 -1.372) 13.216 18.927 ( -2.486 0.555 0.797) 2.669 21.687 ( 5.496 1.726 -1.234) 5.891 22.448 ( 8.269 -8.516 16.137) 20.033 22.842 ( -7.580 8.490 -12.406) 16.835 23.755 ( -7.751 -1.453 -0.914) 7.939 ======================= Grid point 221 (102/141) ======================= q-point: (-0.40 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.460 ( 15.492 12.718 -0.223) 20.045 3.082 ( 11.596 13.028 4.766) 18.080 3.252 ( 11.000 11.541 -1.740) 16.038 3.982 ( -10.539 9.856 -6.245) 15.723 4.115 ( -0.759 1.760 -7.767) 8.000 4.177 ( -4.575 4.386 2.192) 6.707 4.329 ( -1.136 2.087 0.503) 2.429 4.426 ( -17.489 10.554 3.604) 20.742 4.698 ( 3.671 -2.136 4.817) 6.422 5.003 ( 5.048 5.888 3.995) 8.724 5.194 ( 2.476 -2.162 2.286) 4.004 5.305 ( -7.760 4.386 1.172) 8.990 5.537 ( 0.308 -0.179 -1.359) 1.405 5.775 ( -7.433 4.503 0.776) 8.725 6.076 ( 5.172 3.799 -0.104) 6.418 6.214 ( -3.052 -3.071 4.751) 6.428 6.451 ( 4.931 4.812 2.150) 7.218 6.520 ( 4.417 -11.323 -1.180) 12.211 6.737 ( 3.789 -1.063 -13.088) 13.667 6.896 ( 0.069 0.193 -2.266) 2.276 7.073 ( -0.148 3.024 9.822) 10.278 7.128 ( 6.155 0.001 -0.412) 6.169 7.262 ( -1.699 4.456 11.106) 12.086 7.358 ( 3.717 2.799 -4.533) 6.496 7.528 ( 0.692 3.004 -1.172) 3.298 7.712 ( 1.847 7.894 -7.451) 11.011 7.811 ( -3.812 -0.500 -1.914) 4.295 8.102 ( 0.190 -2.716 -2.250) 3.532 8.268 ( -10.637 9.498 3.553) 14.696 8.730 ( -1.635 -1.040 -1.539) 2.474 8.974 ( -5.654 -0.504 3.078) 6.457 9.041 ( 9.401 -4.023 -1.167) 10.292 9.385 ( -3.458 0.022 -4.065) 5.337 9.443 ( -2.255 1.825 1.056) 3.087 9.510 ( 4.917 -0.534 3.273) 5.931 9.729 ( 6.079 -3.715 -0.457) 7.139 9.844 ( 1.571 2.116 -0.502) 2.683 10.073 ( -15.770 1.733 -0.422) 15.870 10.196 ( -0.067 -1.589 0.188) 1.602 10.354 ( -1.101 2.909 -0.574) 3.163 10.565 ( -1.655 -6.658 -1.819) 7.098 10.614 ( 0.292 2.577 0.895) 2.744 10.755 ( 6.067 2.116 0.537) 6.448 10.842 ( 4.519 12.559 -3.941) 13.917 10.967 ( 0.325 6.772 -2.474) 7.217 11.256 ( -4.351 7.657 5.967) 10.638 11.352 ( 2.892 -1.643 2.639) 4.246 11.524 ( 6.501 -1.820 3.944) 7.818 11.631 ( 0.874 0.962 0.783) 1.517 11.780 ( -5.704 3.137 -0.920) 6.574 11.789 ( -2.037 -2.805 -1.710) 3.865 11.899 ( 2.196 -5.346 -4.361) 7.240 12.125 ( -1.844 3.972 -1.651) 4.680 12.252 ( 3.474 3.127 5.781) 7.434 12.277 ( 1.294 -3.797 -0.040) 4.012 12.364 ( 4.811 -2.874 0.808) 5.662 12.507 ( 2.347 -1.771 -1.273) 3.204 12.560 ( -8.065 -0.823 -0.072) 8.107 12.694 ( 0.473 2.733 10.188) 10.559 12.838 ( -1.892 -1.380 -2.470) 3.403 12.970 ( 2.728 -6.822 -6.840) 10.039 13.057 ( 6.744 3.828 -4.726) 9.081 13.455 ( -10.461 1.152 -2.666) 10.857 13.487 ( -2.218 4.785 0.878) 5.346 13.585 ( 0.663 6.358 5.548) 8.464 13.728 ( -0.676 -3.438 -1.030) 3.652 13.844 ( 1.527 2.398 -1.380) 3.160 13.989 ( 0.917 -9.941 12.690) 16.146 14.038 ( -1.889 3.237 -3.450) 5.094 14.284 ( -0.604 -0.527 1.801) 1.971 14.402 ( -3.032 -3.670 -3.802) 6.093 14.466 ( 3.911 -4.115 -4.679) 7.357 14.675 ( -1.764 -14.161 -0.609) 14.283 14.888 ( -3.262 -4.441 -1.374) 5.679 14.991 ( 1.639 8.361 2.402) 8.852 15.141 ( 0.347 -3.051 -0.385) 3.095 15.208 ( 5.308 -4.896 -3.980) 8.246 15.323 ( 1.920 -2.787 5.290) 6.280 15.558 ( -1.760 -11.482 0.663) 11.635 15.746 ( -1.379 -1.945 -3.942) 4.607 17.076 ( 1.810 0.006 -2.920) 3.436 17.363 ( -9.414 -7.327 1.741) 12.056 18.037 ( 0.786 7.716 3.176) 8.381 18.168 ( 0.110 12.800 -4.716) 13.641 18.356 ( 10.442 -8.943 1.461) 13.826 18.886 ( -5.083 -0.032 1.270) 5.240 21.669 ( 4.032 5.979 3.544) 8.036 22.570 ( -9.120 3.426 -10.745) 14.504 22.786 ( 13.319 -7.715 8.794) 17.728 23.735 ( -7.078 -5.131 -1.834) 8.933 ======================= Grid point 222 (103/141) ======================= q-point: (-0.30 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.395 ( 14.110 12.171 4.791) 19.240 2.904 ( 10.425 22.225 12.497) 27.546 3.103 ( 9.028 17.381 3.442) 19.886 3.596 ( -22.340 14.217 -11.678) 28.941 3.954 ( -8.963 14.419 -3.449) 17.325 3.987 ( -18.140 15.023 0.098) 23.553 4.027 ( -7.727 4.018 -6.039) 10.598 4.189 ( -6.285 9.550 -3.198) 11.871 4.779 ( 2.893 4.683 3.805) 6.691 4.859 ( 6.619 18.580 6.379) 20.730 5.102 ( -11.556 8.628 10.848) 18.046 5.221 ( 0.804 -1.231 -2.646) 3.027 5.474 ( -1.743 7.887 -4.043) 9.033 5.615 ( -6.570 6.015 -3.206) 9.467 6.020 ( 4.022 6.604 1.705) 7.918 6.140 ( 0.725 8.077 0.823) 8.151 6.452 ( 4.619 3.683 5.675) 8.192 6.644 ( 0.913 2.482 1.224) 2.914 6.793 ( -3.790 3.462 1.671) 5.398 6.854 ( 2.379 -4.626 -13.001) 14.003 6.974 ( 3.500 5.606 6.275) 9.113 7.138 ( 1.891 3.308 2.753) 4.701 7.235 ( -0.240 7.544 4.797) 8.943 7.289 ( 5.409 5.333 -7.886) 10.949 7.548 ( 1.145 -1.822 0.696) 2.261 7.658 ( -3.263 -4.182 0.503) 5.327 7.741 ( -7.630 0.755 5.114) 9.216 7.996 ( -9.725 5.749 -5.989) 12.786 8.186 ( 10.647 2.346 1.078) 10.956 8.617 ( -3.155 6.259 -2.743) 7.527 8.947 ( -2.217 -0.862 4.272) 4.890 9.174 ( 6.044 -1.213 -1.470) 6.337 9.315 ( -5.937 1.983 -6.934) 9.341 9.427 ( -5.595 -3.693 1.105) 6.794 9.510 ( 7.746 7.686 4.173) 11.683 9.809 ( -6.803 -0.642 2.285) 7.205 9.841 ( 1.314 1.559 -2.954) 3.589 9.926 ( -1.852 -4.380 -4.043) 6.242 10.190 ( -0.415 4.263 1.814) 4.651 10.323 ( -4.193 -1.788 -4.149) 6.164 10.571 ( -2.306 1.983 2.178) 3.741 10.580 ( 1.682 6.286 -3.332) 7.311 10.659 ( 3.046 8.377 -4.669) 10.062 10.723 ( -0.518 6.649 2.287) 7.050 10.865 ( 3.168 7.349 0.620) 8.027 11.000 ( -6.845 9.238 1.529) 11.599 11.434 ( 3.303 0.962 4.778) 5.888 11.529 ( 4.713 8.786 3.146) 10.455 11.608 ( -5.089 6.189 -0.773) 8.050 11.682 ( 0.547 4.675 -1.646) 4.986 11.777 ( 0.866 -7.587 5.656) 9.503 11.971 ( 0.123 3.266 2.281) 3.986 12.102 ( -1.862 3.498 -1.097) 4.111 12.251 ( 0.188 -2.964 -1.595) 3.371 12.319 ( -1.342 -2.093 3.024) 3.915 12.443 ( 1.586 0.197 4.292) 4.580 12.514 ( -1.116 -3.351 0.836) 3.630 12.625 ( 1.534 -6.070 -1.727) 6.494 12.713 ( -1.143 -1.831 2.512) 3.312 12.841 ( 1.691 -1.981 -1.223) 2.878 13.059 ( 5.789 0.464 -4.709) 7.476 13.117 ( 3.912 -6.373 -1.404) 7.608 13.245 ( -9.496 6.183 -4.918) 12.353 13.398 ( -4.930 0.674 0.849) 5.047 13.535 ( 3.162 2.936 6.389) 7.709 13.775 ( 1.265 -2.144 -4.675) 5.297 13.831 ( -1.828 -3.297 -2.551) 4.552 13.936 ( -4.007 5.818 -1.676) 7.261 14.254 ( 3.705 -12.851 10.423) 16.956 14.333 ( -0.977 -7.301 1.197) 7.463 14.508 ( 3.755 -10.040 -0.517) 10.731 14.650 ( 8.335 -8.079 -4.092) 12.308 14.820 ( -3.507 0.846 3.149) 4.788 14.931 ( 0.291 -11.386 0.450) 11.399 15.014 ( 1.359 -6.173 -1.089) 6.414 15.093 ( -0.070 2.402 -4.029) 4.691 15.407 ( 7.344 -9.704 -1.431) 12.254 15.591 ( 5.011 -17.752 11.186) 21.572 15.758 ( -7.667 -11.516 -4.054) 14.417 15.842 ( 8.247 -11.978 -7.111) 16.188 17.099 ( 3.598 0.144 -0.939) 3.722 17.349 ( -9.136 -1.287 1.041) 9.285 17.865 ( 0.242 12.435 2.944) 12.781 17.982 ( 0.082 8.781 -4.959) 10.085 18.583 ( 7.235 -7.233 1.189) 10.299 18.847 ( -5.115 -1.324 0.703) 5.330 21.584 ( 3.346 9.287 7.705) 12.522 22.348 ( -10.920 7.270 -19.178) 23.236 23.129 ( 15.249 -12.324 12.032) 23.004 23.782 ( -6.272 -8.298 -2.746) 10.758 ======================= Grid point 223 (104/141) ======================= q-point: (-0.20 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.352 ( 14.988 11.208 10.769) 21.592 2.581 ( 4.607 28.497 19.738) 34.970 2.868 ( 7.072 21.093 5.793) 22.989 3.100 ( -19.776 15.550 -12.025) 27.883 3.468 ( -21.464 19.187 8.859) 30.122 3.635 ( -9.829 13.464 -14.670) 22.206 3.839 ( -2.547 11.436 -4.406) 12.518 3.953 ( -5.481 10.107 -6.602) 13.258 4.400 ( -0.336 35.087 9.638) 36.389 4.645 ( -1.206 16.802 4.281) 17.381 4.906 ( -5.961 5.517 12.613) 15.002 5.212 ( 4.489 11.820 -7.918) 14.918 5.282 ( -2.668 3.877 -4.530) 6.532 5.426 ( -6.898 8.347 -11.674) 15.923 5.917 ( 1.388 8.430 3.862) 9.376 6.052 ( 2.192 5.688 -2.675) 6.657 6.365 ( 2.398 11.145 4.307) 12.187 6.448 ( 1.682 14.536 0.271) 14.635 6.802 ( -1.117 -1.825 3.740) 4.309 6.903 ( -3.104 -6.334 6.698) 9.727 6.991 ( 4.020 0.326 -3.130) 5.105 7.036 ( 0.723 11.501 -0.879) 11.558 7.103 ( -1.952 2.112 1.099) 3.079 7.296 ( 3.453 -0.338 -12.739) 13.203 7.458 ( -1.483 8.728 7.528) 11.621 7.646 ( -9.169 0.958 3.128) 9.735 7.842 ( -2.467 -2.906 1.547) 4.114 7.888 ( 5.082 -10.560 -4.651) 12.608 8.277 ( 10.192 0.384 5.759) 11.713 8.549 ( -1.004 -0.293 -4.718) 4.832 8.962 ( -1.060 -1.635 3.783) 4.255 9.155 ( -7.330 4.172 -2.454) 8.783 9.228 ( 5.101 3.328 -4.109) 7.347 9.352 ( -5.709 4.861 0.559) 7.519 9.511 ( 4.935 1.696 1.384) 5.399 9.699 ( 0.675 4.373 -2.581) 5.123 9.906 ( -0.650 -5.534 -1.571) 5.789 9.961 ( -8.288 -0.510 -3.330) 8.947 10.119 ( 2.074 1.374 1.287) 2.801 10.216 ( -5.493 7.423 -2.750) 9.635 10.478 ( 7.183 10.110 -1.471) 12.489 10.506 ( -2.718 6.714 1.958) 7.503 10.581 ( 3.573 1.765 -2.587) 4.752 10.626 ( -1.790 3.791 2.438) 4.850 10.727 ( -0.368 1.753 3.241) 3.703 10.926 ( -3.767 -0.675 -2.603) 4.628 11.373 ( -0.226 8.054 3.807) 8.911 11.413 ( 0.776 7.967 6.035) 10.025 11.489 ( 5.620 5.181 -1.940) 7.886 11.624 ( 1.854 5.281 1.877) 5.903 11.775 ( -5.858 9.786 2.872) 11.761 11.912 ( -3.470 -0.303 3.775) 5.136 12.021 ( 4.399 7.334 0.059) 8.553 12.206 ( -8.691 4.981 1.586) 10.141 12.312 ( 1.475 -1.977 -2.242) 3.333 12.445 ( -4.060 2.813 -1.003) 5.041 12.569 ( 1.371 -1.282 2.146) 2.851 12.632 ( -1.944 0.814 0.199) 2.117 12.764 ( 0.902 -3.674 2.848) 4.735 12.972 ( 0.968 -5.645 -5.830) 8.173 13.110 ( -2.443 -2.857 6.504) 7.512 13.155 ( 6.511 -4.355 -5.038) 9.314 13.266 ( 6.176 -4.993 -4.600) 9.178 13.392 ( -5.191 -3.493 -1.384) 6.408 13.565 ( 3.991 -1.683 6.896) 8.144 13.789 ( -3.302 4.545 -2.923) 6.333 13.871 ( 0.672 -9.323 -1.787) 9.517 13.906 ( -1.563 -6.169 -2.394) 6.799 14.472 ( -1.322 -9.693 1.296) 9.869 14.494 ( 1.311 -11.476 0.333) 11.556 14.723 ( 2.315 -4.986 5.953) 8.103 14.766 ( 2.331 -0.885 -0.815) 2.623 14.849 ( 6.676 -5.769 3.511) 9.496 15.033 ( -3.446 -1.564 -1.610) 4.113 15.158 ( 2.773 -8.829 -0.198) 9.256 15.210 ( 3.306 -13.712 -0.061) 14.105 15.631 ( 6.546 -8.119 -1.276) 10.506 15.835 ( -6.040 -8.574 -7.543) 12.918 15.969 ( 3.216 -19.338 12.145) 23.060 16.190 ( 5.868 -20.023 -7.407) 22.141 17.128 ( 4.043 1.022 0.396) 4.189 17.252 ( -7.260 2.314 -0.341) 7.627 17.693 ( 3.886 10.255 1.670) 11.093 17.829 ( -3.505 6.920 -3.859) 8.664 18.736 ( 3.812 -4.268 1.873) 6.021 18.840 ( -3.081 -2.480 -1.033) 4.088 21.458 ( 4.034 11.547 10.474) 16.103 22.037 ( -13.730 11.800 -22.035) 28.518 23.507 ( 13.958 -13.070 11.377) 22.250 23.874 ( -5.775 -9.940 -3.809) 12.111 ======================= Grid point 224 (105/141) ======================= q-point: (-0.10 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( -4.358 25.852 22.302) 34.420 2.322 ( 12.211 14.095 18.787) 26.471 2.524 ( 4.200 24.879 -6.806) 26.133 2.720 ( 1.058 15.936 -10.871) 19.320 3.062 ( -8.250 13.064 16.765) 22.799 3.287 ( -4.034 17.451 -8.340) 19.758 3.597 ( 2.667 16.858 6.759) 18.357 3.754 ( 0.016 7.368 -10.351) 12.706 3.834 ( -2.901 28.185 18.653) 33.922 4.328 ( -3.733 12.787 -14.131) 19.420 4.827 ( 3.857 7.982 11.255) 14.327 4.974 ( 3.236 14.399 5.515) 15.755 5.142 ( -3.685 15.246 -20.673) 25.950 5.197 ( -1.209 7.024 -12.371) 14.277 5.814 ( -0.345 5.039 4.185) 6.559 5.953 ( 0.893 5.297 -6.892) 8.738 6.163 ( -1.095 11.905 5.438) 13.134 6.300 ( 0.909 6.546 -4.826) 8.183 6.822 ( -0.750 -0.209 3.745) 3.825 6.893 ( 2.368 6.746 -1.540) 7.314 6.968 ( 0.617 0.891 4.034) 4.177 7.025 ( 0.868 -0.119 1.041) 1.360 7.070 ( -0.513 -1.818 3.949) 4.377 7.239 ( 1.367 3.924 -5.363) 6.784 7.428 ( 3.445 0.676 4.759) 5.914 7.557 ( -3.625 -2.672 -8.410) 9.540 7.903 ( -7.051 -8.874 12.418) 16.813 8.155 ( 7.805 -10.594 -10.193) 16.645 8.350 ( 5.994 2.670 8.527) 10.759 8.530 ( -2.885 0.690 -7.076) 7.673 8.970 ( -3.499 -0.213 5.035) 6.135 9.003 ( -8.388 3.040 1.478) 9.043 9.196 ( -1.105 4.403 -0.652) 4.586 9.267 ( 8.270 3.615 -6.105) 10.896 9.526 ( 0.848 0.363 4.162) 4.263 9.621 ( -4.140 1.270 -5.294) 6.840 9.875 ( 1.028 2.628 4.166) 5.032 9.978 ( -0.380 0.553 -5.441) 5.482 10.064 ( -0.659 1.970 4.251) 4.731 10.153 ( 0.264 -3.017 -5.661) 6.420 10.304 ( -6.873 7.949 4.294) 11.352 10.403 ( 6.682 6.097 -4.975) 10.324 10.600 ( -2.172 -1.572 3.186) 4.164 10.664 ( 4.955 -3.137 -1.354) 6.019 10.793 ( 7.967 -3.742 5.109) 10.177 10.906 ( -7.249 -3.673 -3.992) 9.054 11.242 ( 2.159 8.142 5.079) 9.836 11.302 ( 0.137 5.808 0.318) 5.818 11.474 ( -6.130 5.756 3.316) 9.040 11.511 ( 5.838 3.967 -0.448) 7.072 11.636 ( 8.499 8.706 5.763) 13.462 11.743 ( -9.433 9.644 -3.704) 13.990 11.943 ( 8.835 9.981 2.269) 13.521 12.007 ( -10.732 9.080 -0.392) 14.063 12.325 ( 0.090 1.523 -1.368) 2.050 12.352 ( -0.429 2.042 -2.339) 3.134 12.602 ( 2.156 -0.856 0.570) 2.389 12.618 ( -3.295 -0.935 0.444) 3.454 12.814 ( -1.477 -1.150 9.373) 9.558 12.977 ( 2.148 2.236 -3.142) 4.414 13.208 ( 1.065 -6.515 1.697) 6.816 13.307 ( 1.433 -5.738 0.410) 5.928 13.381 ( -2.128 -3.307 -1.997) 4.410 13.414 ( 1.977 -6.960 -8.346) 11.046 13.663 ( 1.395 -3.470 3.612) 5.199 13.736 ( -0.565 -1.278 -3.179) 3.473 13.981 ( -2.993 -4.638 3.313) 6.438 14.037 ( -0.479 -8.360 -1.674) 8.539 14.610 ( -1.443 -7.247 5.000) 8.922 14.667 ( -1.561 -9.289 -1.156) 9.490 14.771 ( -1.372 -3.558 -0.516) 3.848 14.819 ( 4.948 -0.729 -4.935) 7.026 14.986 ( 0.290 -3.964 5.014) 6.399 15.060 ( 1.969 -3.623 -3.392) 5.339 15.311 ( 1.360 -3.186 6.815) 7.644 15.428 ( -0.685 -8.704 -2.868) 9.190 15.821 ( 7.371 -8.467 1.039) 11.274 15.910 ( -6.183 -9.556 -7.292) 13.518 16.328 ( 0.366 -17.918 12.493) 21.846 16.539 ( 1.057 -17.542 -8.637) 19.581 17.144 ( 3.592 1.082 0.795) 3.835 17.182 ( -2.052 -0.808 -2.359) 3.229 17.584 ( -5.565 5.324 4.652) 8.997 17.680 ( 3.192 7.696 -5.346) 9.900 18.813 ( 0.869 -2.344 2.197) 3.328 18.857 ( -0.689 -1.661 -2.082) 2.751 21.322 ( 5.637 12.442 11.653) 17.955 21.623 ( -11.552 17.115 -19.205) 28.199 23.849 ( 6.152 -12.598 9.020) 16.671 23.983 ( -3.366 -9.380 -4.761) 11.045 ======================= Grid point 227 (106/141) ======================= q-point: ( 0.20 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.487 ( 22.393 -0.000 24.839) 33.442 2.561 ( 15.763 -0.000 -21.411) 26.588 2.724 ( 22.292 -0.000 -23.265) 32.221 2.798 ( 24.535 -0.000 27.181) 36.616 3.305 ( 24.954 -0.000 -5.024) 25.455 3.356 ( 24.439 -0.000 3.531) 24.692 3.637 ( 18.447 -0.000 4.027) 18.881 3.754 ( 21.526 -0.000 3.093) 21.747 4.509 ( 2.173 -0.000 -15.934) 16.082 4.573 ( 5.662 -0.000 5.751) 8.071 4.739 ( 13.649 -0.000 10.284) 17.090 4.875 ( 24.518 -0.000 -8.229) 25.862 4.894 ( 17.632 -0.000 4.682) 18.243 5.255 ( 5.358 -0.000 6.330) 8.293 5.676 ( 0.813 -0.000 4.679) 4.749 5.875 ( -0.093 0.000 -1.663) 1.666 6.031 ( -1.710 0.000 -9.772) 9.920 6.042 ( 3.726 -0.000 -4.928) 6.178 6.729 ( -4.292 0.000 -0.736) 4.354 6.871 ( -3.986 0.000 -3.841) 5.535 6.994 ( 11.460 -0.000 2.759) 11.787 7.080 ( 5.271 -0.000 -1.436) 5.463 7.160 ( -3.745 0.000 0.623) 3.796 7.473 ( 1.014 -0.000 -1.613) 1.906 7.494 ( 6.668 -0.000 -9.061) 11.250 7.667 ( 3.979 -0.000 -1.214) 4.160 7.832 ( -8.746 0.000 -4.803) 9.978 8.072 ( 0.007 -0.000 3.254) 3.254 8.155 ( -14.662 0.000 12.482) 19.256 8.403 ( -0.622 0.000 13.248) 13.262 8.775 ( -2.392 0.000 -2.353) 3.355 8.849 ( 0.257 -0.000 0.115) 0.282 9.338 ( 6.508 -0.000 2.280) 6.896 9.382 ( 1.709 -0.000 3.418) 3.821 9.531 ( 6.877 -0.000 -2.448) 7.300 9.753 ( -5.509 0.000 4.588) 7.169 9.808 ( 1.447 -0.000 4.475) 4.703 9.972 ( -8.015 0.000 -8.878) 11.961 10.052 ( 8.233 -0.000 -0.210) 8.235 10.314 ( 11.583 -0.000 0.102) 11.583 10.357 ( 11.765 -0.000 0.714) 11.786 10.512 ( -5.518 0.000 -3.771) 6.684 10.574 ( 0.537 -0.000 1.303) 1.410 10.647 ( 10.763 -0.000 -5.417) 12.050 10.914 ( 0.501 -0.000 -1.675) 1.748 11.026 ( -4.101 0.000 1.297) 4.301 11.155 ( 1.951 -0.000 -7.331) 7.587 11.216 ( 3.191 -0.000 1.535) 3.541 11.326 ( 6.277 -0.000 5.140) 8.113 11.470 ( 4.147 -0.000 -4.439) 6.074 11.668 ( 7.338 -0.000 0.479) 7.354 11.846 ( 12.790 -0.000 7.404) 14.778 12.038 ( 7.561 -0.000 -5.211) 9.183 12.128 ( 7.316 -0.000 7.096) 10.192 12.212 ( -2.193 0.000 0.345) 2.220 12.375 ( -0.021 0.000 -3.609) 3.609 12.640 ( 0.201 -0.000 5.552) 5.555 12.767 ( -2.038 0.000 -0.932) 2.241 12.861 ( -2.613 0.000 -3.105) 4.058 12.904 ( 5.550 -0.000 -2.273) 5.997 13.243 ( -11.937 0.000 4.966) 12.929 13.347 ( 0.402 -0.000 -5.894) 5.908 13.396 ( -3.691 0.000 -2.650) 4.544 13.400 ( -4.528 0.000 4.927) 6.691 13.553 ( -10.307 0.000 -3.412) 10.857 13.602 ( -8.330 0.000 -4.540) 9.487 13.827 ( 4.226 -0.000 3.823) 5.698 14.123 ( -0.352 0.000 8.727) 8.735 14.555 ( -10.556 0.000 5.447) 11.879 14.599 ( -9.812 0.000 -4.905) 10.970 14.722 ( -8.560 0.000 2.492) 8.915 14.913 ( -3.418 0.000 -3.523) 4.908 14.941 ( -3.542 0.000 -5.352) 6.418 15.057 ( -4.141 0.000 0.159) 4.144 15.172 ( -5.333 0.000 -0.356) 5.345 15.353 ( -7.810 0.000 -8.356) 11.437 15.653 ( -7.958 0.000 -5.026) 9.412 15.984 ( -16.433 0.000 -11.734) 20.193 16.246 ( -9.725 0.000 3.214) 10.243 16.493 ( -27.562 0.000 12.925) 30.442 17.013 ( -2.355 0.000 -3.033) 3.839 17.170 ( 0.191 -0.000 0.587) 0.618 17.481 ( 12.630 -0.000 -2.615) 12.898 17.750 ( 4.998 -0.000 0.725) 5.050 18.884 ( 1.311 -0.000 -0.440) 1.383 18.980 ( 3.701 -0.000 1.982) 4.198 21.360 ( 15.630 -0.000 -2.161) 15.778 21.880 ( 17.662 -0.000 13.661) 22.329 23.668 ( -14.376 0.000 -6.844) 15.922 23.952 ( -13.542 0.000 2.378) 13.749 ======================= Grid point 228 (107/141) ======================= q-point: ( 0.30 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.778 ( 22.508 -8.545 -0.846) 24.091 2.882 ( 20.254 -3.561 -6.483) 21.562 2.905 ( 19.823 -11.042 -8.446) 24.212 3.076 ( 18.012 -5.094 19.714) 27.185 3.420 ( 15.535 4.152 0.600) 16.091 3.702 ( 25.245 -5.514 3.668) 26.099 4.003 ( 22.706 -12.440 -2.418) 26.003 4.099 ( 25.599 -15.614 6.078) 30.595 4.512 ( 3.709 -2.445 -11.816) 12.624 4.651 ( 9.869 2.810 2.070) 10.468 4.812 ( 3.517 -5.841 -0.864) 6.873 5.072 ( 13.124 2.054 1.283) 13.346 5.197 ( 5.033 -7.813 6.397) 11.283 5.361 ( 13.740 -7.343 5.696) 16.588 5.692 ( -0.467 0.839 -0.563) 1.113 5.966 ( 3.907 -6.234 -1.493) 7.507 6.035 ( 1.130 -3.990 -2.696) 4.946 6.108 ( 8.537 -3.997 -7.672) 12.154 6.651 ( -4.436 3.113 -0.319) 5.429 6.821 ( -10.829 0.924 -3.455) 11.404 7.017 ( 6.761 3.752 1.688) 7.914 7.098 ( -5.729 -4.823 -4.670) 8.826 7.315 ( 5.814 -9.044 2.693) 11.084 7.422 ( 5.021 0.474 -5.766) 7.660 7.564 ( 7.833 -1.580 -6.980) 10.610 7.732 ( 0.529 1.480 3.246) 3.606 7.826 ( 6.736 -2.945 -2.082) 7.641 7.924 ( -5.415 5.419 9.319) 12.064 8.217 ( -1.385 -6.167 7.847) 10.076 8.466 ( -3.143 -6.646 10.343) 12.690 8.713 ( -3.706 3.287 -2.717) 5.650 8.848 ( 2.408 2.715 -0.854) 3.728 9.167 ( -4.629 12.430 -5.204) 14.248 9.431 ( 7.630 0.118 0.044) 7.631 9.606 ( 7.193 0.953 -1.226) 7.359 9.747 ( -4.693 -2.678 8.621) 10.174 9.847 ( 3.059 -0.854 3.839) 4.983 10.065 ( -1.808 -11.230 -4.521) 12.240 10.136 ( 1.234 -6.391 -4.403) 7.859 10.305 ( 7.789 8.017 -0.941) 11.218 10.440 ( 1.269 1.071 -0.940) 1.908 10.528 ( 6.418 -0.796 0.366) 6.477 10.650 ( 7.613 -6.137 0.359) 9.785 10.753 ( 13.350 0.398 -4.215) 14.005 10.853 ( -0.310 4.589 -0.840) 4.675 11.064 ( -1.954 -6.401 -1.546) 6.869 11.158 ( 6.761 1.205 -2.845) 7.433 11.328 ( 5.959 -5.035 -1.636) 7.971 11.421 ( 6.461 -2.944 2.574) 7.552 11.520 ( 1.073 -2.773 -2.765) 4.060 11.769 ( 6.887 -4.331 -1.053) 8.203 11.996 ( 2.820 -4.284 8.023) 9.522 12.096 ( 6.534 0.226 -2.487) 6.995 12.203 ( -3.840 -2.109 -0.781) 4.450 12.220 ( 7.902 -1.043 4.327) 9.069 12.347 ( -3.877 0.965 -1.033) 4.127 12.629 ( -1.105 1.775 3.317) 3.921 12.698 ( -6.476 1.720 -0.171) 6.703 12.816 ( -0.962 1.642 -3.462) 3.950 13.023 ( 6.250 -5.691 -2.956) 8.954 13.071 ( -5.875 8.838 2.440) 10.889 13.221 ( -5.518 8.054 -3.366) 10.327 13.227 ( -7.147 7.677 0.772) 10.517 13.452 ( -6.378 -5.202 -2.372) 8.566 13.495 ( -3.116 -1.952 2.874) 4.667 13.586 ( -1.577 -4.561 -0.984) 4.925 13.911 ( 2.731 -2.540 2.677) 4.591 14.102 ( 1.600 4.893 8.527) 9.960 14.443 ( -11.297 1.632 6.151) 12.967 14.474 ( -8.015 2.180 -3.925) 9.187 14.603 ( -7.924 4.594 0.601) 9.179 14.823 ( -6.212 3.547 -5.262) 8.880 14.876 ( -6.046 8.370 -1.138) 10.388 14.964 ( -9.538 -1.532 1.157) 9.729 15.146 ( -5.256 -2.760 -1.530) 6.130 15.250 ( -5.935 0.024 -9.796) 11.454 15.498 ( -7.544 7.683 -5.986) 12.320 15.866 ( -13.846 -3.179 -6.976) 15.827 16.067 ( -12.126 8.844 2.801) 15.268 16.259 ( -22.121 1.911 10.508) 24.565 16.951 ( 0.888 2.876 -2.020) 3.626 17.166 ( -2.477 1.097 0.950) 2.870 17.584 ( 11.852 -0.701 -3.725) 12.443 17.879 ( 4.989 -7.750 0.742) 9.246 18.863 ( 1.408 4.134 -0.161) 4.371 19.005 ( 3.084 1.447 1.730) 3.821 21.525 ( 14.396 -2.182 -3.460) 14.966 22.072 ( 11.926 -2.321 15.045) 19.339 23.446 ( -12.870 8.067 -6.668) 16.588 23.838 ( -13.767 -1.468 1.147) 13.892 ======================= Grid point 229 (108/141) ======================= q-point: ( 0.40 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.992 ( 26.976 10.956 -4.232) 29.422 3.139 ( 27.879 0.055 -8.256) 29.076 3.280 ( 19.968 -8.948 -13.707) 25.820 3.430 ( 7.863 -14.560 23.380) 28.644 3.618 ( 6.869 -17.685 5.864) 19.858 4.019 ( 13.842 -8.102 7.809) 17.839 4.366 ( 14.628 -7.904 0.528) 16.635 4.551 ( 10.690 -5.495 -3.221) 12.444 4.606 ( 6.884 -1.760 0.105) 7.106 4.775 ( 20.963 -7.454 -1.947) 22.334 4.955 ( -0.327 -3.629 2.947) 4.686 5.111 ( -0.587 -7.788 -8.649) 11.653 5.342 ( 0.955 -9.728 2.627) 10.122 5.562 ( 3.713 3.196 4.457) 6.623 5.730 ( 0.632 -8.935 -0.795) 8.992 6.048 ( 3.622 -3.382 -3.489) 6.061 6.213 ( 6.991 -8.465 -1.090) 11.033 6.282 ( 9.995 -3.389 -5.975) 12.128 6.582 ( -8.554 -1.113 5.244) 10.096 6.660 ( -6.805 0.333 0.573) 6.837 7.037 ( 3.043 0.526 1.075) 3.270 7.178 ( 0.468 -5.474 -3.267) 6.392 7.350 ( 0.752 -0.386 -7.702) 7.748 7.515 ( 5.360 1.618 -3.145) 6.422 7.701 ( 0.931 -1.470 0.287) 1.764 7.751 ( 8.497 -5.819 1.919) 10.476 7.842 ( -0.036 3.000 7.696) 8.260 8.003 ( 4.088 -8.600 0.611) 9.542 8.322 ( 12.354 2.032 4.657) 13.358 8.585 ( -5.091 -10.070 7.778) 13.704 8.603 ( -6.005 0.116 2.324) 6.440 8.771 ( 6.619 9.250 -10.127) 15.230 9.043 ( -7.905 -5.690 -6.637) 11.786 9.485 ( 2.681 -0.696 2.109) 3.481 9.617 ( 7.096 5.385 -1.043) 8.968 9.747 ( -2.560 0.811 6.906) 7.410 9.895 ( 3.148 -0.518 2.451) 4.023 10.116 ( 0.002 1.859 -0.264) 1.878 10.189 ( 1.193 -0.157 -0.813) 1.452 10.411 ( -1.371 -14.294 -0.041) 14.359 10.468 ( 3.491 -0.093 -0.498) 3.528 10.576 ( 1.713 -0.039 -0.202) 1.726 10.735 ( 7.198 2.728 -5.277) 9.333 10.805 ( 5.235 2.041 -0.466) 5.638 10.984 ( 16.588 -8.720 -0.564) 18.749 11.142 ( -1.764 -5.261 -3.450) 6.533 11.250 ( 12.363 0.079 -0.507) 12.374 11.443 ( 6.615 -1.361 -0.303) 6.761 11.510 ( -4.180 -3.056 -0.474) 5.200 11.583 ( 2.143 -4.125 -2.160) 5.126 11.896 ( 1.268 -3.090 -0.026) 3.340 12.035 ( -2.615 -1.110 -1.797) 3.362 12.101 ( -0.514 1.226 2.891) 3.181 12.218 ( 0.649 -2.035 -2.911) 3.611 12.256 ( -6.890 1.261 4.146) 8.139 12.378 ( 9.534 -3.425 4.134) 10.941 12.581 ( -6.759 0.141 -0.490) 6.778 12.608 ( -4.100 1.444 1.181) 4.504 12.769 ( -2.677 3.023 -2.794) 4.910 12.858 ( -0.312 11.297 -1.201) 11.365 12.989 ( -7.742 2.290 2.330) 8.403 13.079 ( 0.275 2.584 2.048) 3.308 13.277 ( 3.202 -6.737 -7.424) 10.525 13.464 ( 4.045 -3.608 -0.466) 5.440 13.528 ( -0.578 -2.622 2.096) 3.406 13.694 ( 1.691 -5.589 3.291) 6.702 13.911 ( -1.315 2.954 -1.286) 3.480 14.031 ( 1.403 6.675 8.212) 10.676 14.300 ( -11.422 2.903 7.848) 14.159 14.387 ( -6.625 1.427 -2.253) 7.142 14.444 ( -4.914 5.141 -3.181) 7.791 14.582 ( -11.159 11.399 4.503) 16.575 14.707 ( -4.242 4.297 -6.746) 9.054 14.910 ( -8.032 -0.580 -1.122) 8.131 15.091 ( -7.783 -0.037 -3.686) 8.612 15.243 ( -0.207 -2.084 -5.855) 6.219 15.288 ( -6.717 6.896 -2.743) 10.010 15.708 ( -12.552 8.959 -0.081) 15.421 15.783 ( -11.259 7.697 -3.291) 14.030 16.032 ( -14.341 5.942 7.048) 17.048 16.957 ( -2.046 -4.117 0.423) 4.617 17.105 ( -3.171 1.977 -0.546) 3.777 17.749 ( 11.947 -5.902 -3.470) 13.769 18.057 ( 4.305 -7.048 1.296) 8.360 18.775 ( 1.769 8.123 0.127) 8.314 18.993 ( 1.174 2.865 1.110) 3.289 21.682 ( 12.711 -1.432 -3.343) 13.221 22.239 ( 6.865 -4.002 15.196) 17.148 23.166 ( -9.724 10.088 -7.373) 15.834 23.728 ( -13.369 -0.881 -0.188) 13.400 ======================= Grid point 230 (109/141) ======================= q-point: ( 0.50 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.998 ( 26.169 17.204 -3.191) 31.480 3.323 ( 20.834 3.771 -5.986) 22.003 3.505 ( 22.339 2.595 -3.597) 22.775 3.825 ( 6.419 -17.480 13.483) 22.990 3.981 ( 3.826 -13.501 -1.156) 14.080 4.196 ( 0.115 -1.154 4.857) 4.993 4.525 ( -0.173 3.583 -3.899) 5.298 4.566 ( 9.603 -3.098 4.660) 11.114 4.690 ( -6.472 1.382 3.798) 7.630 4.955 ( 1.735 -1.654 0.805) 2.528 5.086 ( 13.563 -5.821 0.024) 14.759 5.242 ( -2.592 -6.868 -5.164) 8.975 5.511 ( 1.673 1.763 -1.838) 3.047 5.665 ( 7.024 -19.938 -2.818) 21.326 5.847 ( -4.355 -6.354 4.081) 8.717 6.120 ( -7.136 -0.888 -0.121) 7.192 6.230 ( 8.083 1.418 -4.688) 9.451 6.470 ( 5.971 -5.891 -7.227) 11.072 6.617 ( 1.004 -9.485 8.790) 12.970 6.735 ( 0.259 -7.128 1.457) 7.280 6.991 ( -2.203 6.119 3.664) 7.465 7.270 ( 5.113 -2.891 -5.469) 8.026 7.382 ( 1.835 -0.735 -1.212) 2.319 7.508 ( 6.385 3.602 -0.126) 7.332 7.738 ( 1.027 -1.281 -1.855) 2.478 7.797 ( 3.457 6.207 1.529) 7.267 7.886 ( 4.737 -2.942 1.007) 5.667 8.031 ( -5.223 4.156 0.657) 6.707 8.377 ( -1.111 -0.342 4.766) 4.906 8.643 ( 2.073 1.187 -7.277) 7.659 8.709 ( -7.606 -10.054 2.074) 12.777 8.829 ( 16.429 -9.545 0.800) 19.018 9.115 ( -6.125 -12.352 -4.467) 14.493 9.535 ( 3.018 -1.249 1.344) 3.532 9.583 ( 7.542 4.804 -1.151) 9.016 9.692 ( -1.024 4.798 5.017) 7.017 9.930 ( 2.177 0.191 0.616) 2.270 10.066 ( -1.993 2.729 6.334) 7.179 10.219 ( 1.512 -0.046 -0.395) 1.564 10.467 ( -1.819 1.235 -0.904) 2.377 10.488 ( -6.619 1.165 -3.480) 7.568 10.618 ( -0.506 -4.917 0.502) 4.968 10.792 ( 6.499 -3.187 2.207) 7.567 10.874 ( 8.096 0.123 -3.134) 8.682 11.204 ( 1.748 -3.084 0.256) 3.554 11.249 ( 13.562 -1.957 -1.532) 13.788 11.335 ( 1.478 1.159 -2.563) 3.177 11.456 ( 4.580 -0.274 -0.075) 4.589 11.519 ( -3.324 -4.397 -1.826) 5.807 11.634 ( -1.979 -2.607 -0.504) 3.312 11.874 ( -3.888 2.330 1.956) 4.937 12.026 ( 0.429 6.154 3.750) 7.219 12.083 ( -4.501 -0.489 -6.786) 8.158 12.180 ( 5.692 -4.531 -3.112) 7.913 12.291 ( -5.005 -1.790 1.140) 5.437 12.432 ( 0.788 5.490 4.163) 6.935 12.483 ( -7.184 -1.010 0.036) 7.254 12.662 ( 1.175 -7.813 -5.163) 9.438 12.710 ( 4.139 6.838 -1.484) 8.130 12.735 ( 2.924 0.437 4.739) 5.585 12.903 ( -2.213 2.520 1.014) 3.504 13.141 ( 4.911 -2.755 2.523) 6.170 13.327 ( -0.938 -2.988 -3.282) 4.536 13.582 ( 2.631 -4.118 -0.233) 4.892 13.645 ( -6.907 3.550 -1.095) 7.843 13.670 ( 4.490 -4.690 6.868) 9.451 13.907 ( 1.756 6.271 1.946) 6.797 13.967 ( 4.200 -0.388 2.573) 4.941 14.188 ( -5.652 -0.165 1.525) 5.856 14.244 ( -7.514 6.123 -2.500) 10.010 14.322 ( -3.557 0.791 0.756) 3.721 14.386 ( -8.445 2.172 4.527) 9.825 14.582 ( -5.228 5.198 -6.693) 9.957 14.832 ( -8.398 -0.242 -1.562) 8.546 15.024 ( -1.405 0.663 -0.867) 1.779 15.164 ( -1.595 2.137 -1.857) 3.250 15.259 ( -1.284 -1.605 -3.438) 4.006 15.401 ( -9.307 11.227 0.157) 14.584 15.572 ( -8.072 7.212 -2.146) 11.036 15.826 ( -8.907 5.627 2.771) 10.894 17.031 ( -5.714 -8.027 2.676) 10.210 17.060 ( -2.014 -0.606 -3.297) 3.911 17.982 ( 10.721 -8.722 -3.082) 14.160 18.182 ( 3.129 -2.794 2.704) 4.990 18.632 ( 3.206 11.423 0.025) 11.865 18.934 ( -2.537 3.518 0.807) 4.412 21.796 ( 11.265 1.399 -0.779) 11.378 22.401 ( 2.757 -6.702 12.951) 14.841 22.917 ( -3.623 9.251 -8.147) 12.848 23.618 ( -13.299 -1.849 -1.481) 13.508 ======================= Grid point 231 (110/141) ======================= q-point: (-0.40 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.931 ( 23.536 18.479 -0.119) 29.924 3.392 ( 14.712 7.847 -1.625) 16.753 3.616 ( 23.274 10.827 -0.915) 25.685 4.002 ( -8.014 2.191 -5.272) 9.840 4.058 ( -9.150 4.277 -0.692) 10.124 4.197 ( 3.002 -6.131 3.343) 7.601 4.415 ( -4.993 8.378 -0.525) 9.767 4.471 ( -9.627 10.066 1.732) 14.036 4.724 ( 5.612 -3.125 7.588) 9.941 5.014 ( -0.441 -5.363 1.043) 5.481 5.234 ( 2.467 0.557 5.167) 5.753 5.302 ( 4.077 -0.540 -4.433) 6.046 5.514 ( 0.270 -0.655 -2.955) 3.038 5.767 ( -8.706 4.817 1.901) 10.130 6.006 ( -2.631 -13.242 8.943) 16.194 6.138 ( 1.881 -7.859 -6.599) 10.433 6.392 ( 10.059 -7.384 -7.248) 14.431 6.567 ( 6.516 0.053 2.912) 7.138 6.745 ( -6.720 2.654 -6.208) 9.526 6.826 ( 0.852 -8.866 -0.966) 8.959 6.986 ( 5.456 -6.919 9.930) 13.276 7.295 ( 0.770 2.132 -0.604) 2.346 7.331 ( 1.814 8.470 7.022) 11.150 7.536 ( 11.546 6.765 -2.486) 13.611 7.672 ( 3.737 10.142 -3.279) 11.295 7.728 ( -6.393 -0.252 0.220) 6.402 7.885 ( 1.956 7.185 -3.198) 8.104 8.023 ( 1.164 -5.728 -5.178) 7.809 8.285 ( -9.017 3.433 6.285) 11.515 8.646 ( -3.654 -3.496 -5.674) 7.601 8.834 ( -4.535 -9.284 5.552) 11.729 9.042 ( 2.274 -6.185 -0.414) 6.603 9.315 ( 6.076 -4.652 -6.206) 9.852 9.530 ( -2.935 6.456 4.907) 8.624 9.568 ( 8.163 3.763 1.323) 9.086 9.711 ( 6.364 -5.840 0.613) 8.659 9.914 ( 0.621 3.109 -0.999) 3.324 10.019 ( -2.868 2.783 2.568) 4.750 10.161 ( -4.706 1.417 -1.345) 5.095 10.381 ( -6.975 2.902 -2.142) 7.853 10.473 ( 0.561 -3.770 2.512) 4.564 10.639 ( -2.158 0.395 -1.595) 2.712 10.858 ( 4.141 4.331 4.146) 7.286 10.912 ( 3.117 -0.161 -4.746) 5.681 11.183 ( 1.207 5.725 -0.222) 5.855 11.326 ( 4.573 4.309 2.087) 6.620 11.353 ( 2.628 -3.920 1.220) 4.874 11.563 ( 4.585 0.703 2.378) 5.213 11.584 ( -0.197 -5.310 -0.688) 5.358 11.694 ( 0.288 -8.353 -4.057) 9.291 11.785 ( -1.050 3.114 0.216) 3.293 11.872 ( -3.044 3.045 -0.907) 4.400 12.099 ( -7.388 1.609 -3.092) 8.169 12.220 ( -1.341 -2.960 -2.696) 4.223 12.327 ( 3.465 -3.263 -1.658) 5.040 12.395 ( 1.346 0.923 5.669) 5.899 12.437 ( -1.240 0.083 -0.185) 1.256 12.640 ( 5.797 6.674 2.058) 9.077 12.758 ( 2.317 0.793 1.786) 3.031 12.788 ( -6.181 -2.304 1.712) 6.815 12.900 ( 8.766 -1.963 -3.657) 9.699 13.194 ( 7.591 3.290 -2.893) 8.765 13.353 ( -8.129 -1.645 -0.773) 8.330 13.484 ( -10.172 1.988 0.202) 10.367 13.694 ( 4.588 -3.103 -0.875) 5.607 13.763 ( 3.330 10.433 5.208) 12.126 13.819 ( 1.785 -8.630 14.323) 16.817 13.935 ( -2.218 3.744 -2.336) 4.939 14.079 ( -0.905 4.600 -2.685) 5.402 14.268 ( -7.160 1.627 3.893) 8.311 14.319 ( 0.560 -3.192 -3.571) 4.822 14.394 ( -5.794 -13.669 -1.699) 14.943 14.448 ( 1.535 -0.005 -6.214) 6.401 14.776 ( -6.621 -2.780 -1.556) 7.348 15.072 ( 2.690 -4.468 3.084) 6.059 15.139 ( 0.279 6.379 0.194) 6.388 15.185 ( 0.347 -0.216 -7.503) 7.515 15.322 ( -3.674 -6.828 1.820) 7.964 15.400 ( -3.691 4.905 2.560) 6.651 15.701 ( -5.103 0.691 -2.755) 5.840 17.061 ( -0.324 -2.281 -2.337) 3.282 17.128 ( -6.716 -8.950 0.884) 11.225 18.163 ( 4.757 1.371 -1.459) 5.161 18.232 ( 1.517 -2.398 1.683) 3.299 18.488 ( 8.800 9.693 0.284) 13.095 18.839 ( -6.836 2.040 1.035) 7.208 21.843 ( 9.657 5.500 3.910) 11.781 22.480 ( -9.667 -1.684 -1.681) 9.956 22.850 ( 12.217 -0.610 1.923) 12.382 23.544 ( -12.704 -5.108 -3.110) 14.042 ======================= Grid point 232 (111/141) ======================= q-point: (-0.30 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.847 ( 21.774 17.599 5.292) 28.493 3.341 ( 10.446 12.167 0.352) 16.040 3.542 ( 8.604 20.802 1.943) 22.595 3.630 ( -12.023 17.107 -10.342) 23.327 3.949 ( -8.785 2.902 -0.498) 9.265 4.071 ( -16.169 14.683 4.307) 22.262 4.240 ( -8.752 5.645 0.788) 10.444 4.246 ( 7.768 12.468 -8.945) 17.199 4.834 ( 4.974 -1.598 9.725) 11.039 5.100 ( -2.185 -1.618 -3.415) 4.365 5.182 ( -2.960 3.796 10.337) 11.403 5.239 ( 5.955 10.703 -0.427) 12.256 5.512 ( -2.195 0.415 -1.347) 2.609 5.624 ( -6.193 3.204 -4.728) 8.424 6.168 ( -1.384 -3.871 7.013) 8.129 6.203 ( 4.481 3.532 -0.601) 5.737 6.518 ( -3.840 0.315 5.498) 6.714 6.586 ( 5.429 -4.241 -2.859) 7.458 6.731 ( 1.614 -2.929 -5.895) 6.777 6.888 ( -1.051 1.386 -7.969) 8.157 7.171 ( 3.849 8.260 8.023) 12.141 7.223 ( -0.865 -7.362 9.218) 11.829 7.263 ( 5.805 6.217 2.519) 8.871 7.466 ( 5.501 8.037 0.677) 9.763 7.563 ( -0.037 3.078 -2.341) 3.868 7.646 ( -4.832 5.286 -8.275) 10.944 7.777 ( 4.497 7.146 -2.561) 8.823 7.961 ( -9.868 3.469 -2.670) 10.795 8.305 ( 9.536 -1.770 3.064) 10.171 8.611 ( -8.972 0.204 -3.943) 9.802 8.925 ( -0.646 -2.855 7.803) 8.334 9.153 ( -1.786 -5.641 -2.410) 6.389 9.313 ( 4.575 4.463 -8.180) 10.381 9.353 ( -7.395 3.871 4.636) 9.548 9.653 ( 4.873 -0.571 3.606) 6.089 9.760 ( -2.843 3.961 8.308) 9.633 9.872 ( -3.217 4.281 -6.155) 8.158 9.938 ( 7.355 0.215 -7.018) 10.168 10.208 ( 1.449 -4.724 -2.095) 5.367 10.253 ( -8.170 2.315 0.416) 8.502 10.547 ( -1.803 -2.345 2.238) 3.709 10.591 ( 0.071 1.691 -2.656) 3.150 10.815 ( 4.310 5.897 2.720) 7.794 10.902 ( 3.846 4.438 -1.627) 6.094 11.072 ( -1.053 8.635 0.912) 8.747 11.142 ( -1.856 16.092 -2.904) 16.457 11.441 ( 3.191 -3.158 3.994) 6.009 11.600 ( 1.280 -5.871 3.835) 7.128 11.624 ( -5.137 3.655 -0.427) 6.319 11.754 ( -0.785 3.863 0.591) 3.986 11.829 ( 13.129 3.192 2.992) 13.839 11.910 ( 0.927 -9.640 -3.451) 10.281 12.023 ( -5.982 -4.933 -2.983) 8.308 12.180 ( -11.277 2.198 -1.475) 11.584 12.356 ( 3.061 0.049 2.482) 3.941 12.428 ( 0.030 -4.701 -1.021) 4.811 12.517 ( 4.022 -0.349 5.332) 6.688 12.607 ( 8.383 2.759 1.388) 8.933 12.718 ( -2.238 3.257 6.350) 7.479 12.777 ( -2.878 -3.289 -3.744) 5.755 13.045 ( 7.461 -5.402 -4.677) 10.330 13.149 ( -7.634 3.065 0.179) 8.228 13.242 ( 3.269 5.551 -7.615) 9.974 13.350 ( -10.601 2.199 1.384) 10.914 13.663 ( 2.540 6.361 7.824) 10.398 13.764 ( 3.846 -1.150 -1.775) 4.390 13.849 ( 0.439 4.769 -2.754) 5.525 13.968 ( -4.703 3.497 -0.336) 5.870 14.097 ( 4.104 -10.852 9.160) 14.782 14.216 ( -3.843 -4.304 2.342) 6.227 14.366 ( 1.791 -9.012 -2.197) 9.447 14.571 ( -3.174 -11.115 -1.037) 11.606 14.623 ( 6.897 -10.726 -3.485) 13.220 14.793 ( -5.776 -6.733 -4.508) 9.951 15.035 ( 1.259 4.924 2.221) 5.547 15.118 ( -1.154 1.140 -2.978) 3.392 15.304 ( 5.614 -8.934 -2.057) 10.750 15.426 ( -0.642 -9.286 5.351) 10.737 15.448 ( -3.332 -11.490 3.924) 12.591 15.715 ( -0.549 -7.306 -7.563) 10.530 17.111 ( 1.594 -2.774 -0.361) 3.220 17.196 ( -5.652 -6.045 -1.224) 8.366 18.058 ( -0.420 10.751 4.839) 11.797 18.166 ( 1.056 9.945 -5.451) 11.390 18.571 ( 10.647 -3.965 1.275) 11.432 18.758 ( -8.274 -1.402 0.992) 8.450 21.815 ( 8.287 9.176 9.149) 15.381 22.314 ( -12.356 4.982 -13.269) 18.803 23.107 ( 15.259 -9.576 9.229) 20.242 23.542 ( -10.709 -8.986 -5.350) 14.968 ======================= Grid point 233 (112/141) ======================= q-point: (-0.20 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.793 ( 21.566 15.557 12.820) 29.520 3.004 ( -25.676 21.322 -2.325) 33.456 3.198 ( 8.555 16.736 1.079) 18.827 3.363 ( 9.631 20.639 -9.829) 24.806 3.632 ( -14.080 18.201 11.264) 25.621 3.741 ( -4.357 13.989 -4.632) 15.366 4.017 ( -0.039 10.129 -3.091) 10.590 4.124 ( 5.511 11.745 -9.009) 15.795 4.846 ( -0.641 14.488 10.139) 17.695 4.907 ( -9.118 3.779 8.879) 13.276 5.036 ( 7.657 20.085 5.484) 22.184 5.246 ( 3.968 -2.251 -10.247) 11.217 5.426 ( -3.246 6.404 -0.054) 7.180 5.497 ( -0.367 7.310 -5.862) 9.377 6.089 ( 1.370 9.353 3.743) 10.167 6.153 ( -0.019 5.304 -1.224) 5.443 6.548 ( 0.068 0.528 10.629) 10.642 6.659 ( 0.529 1.895 3.812) 4.290 6.716 ( -4.190 6.864 -0.483) 8.056 6.797 ( -1.948 -3.856 -8.883) 9.878 7.042 ( 0.459 5.754 4.678) 7.430 7.183 ( 1.355 6.580 -0.987) 6.790 7.281 ( 4.689 11.835 -3.033) 13.086 7.363 ( -1.136 5.095 -5.131) 7.320 7.507 ( -6.491 -3.934 7.797) 10.881 7.601 ( 6.852 3.482 3.015) 8.257 7.790 ( 5.469 -5.699 -6.429) 10.185 7.836 ( -1.962 3.469 -6.439) 7.573 8.398 ( 6.799 2.488 4.399) 8.471 8.502 ( -5.633 0.271 -5.690) 8.011 8.967 ( 2.952 0.042 8.992) 9.464 9.099 ( -10.869 1.851 -0.740) 11.051 9.285 ( -3.815 -0.738 -1.655) 4.224 9.349 ( 7.246 0.025 -4.966) 8.784 9.667 ( 5.388 6.009 4.142) 9.071 9.706 ( -2.636 -1.234 3.005) 4.183 9.822 ( -0.790 -1.627 -1.523) 2.364 9.912 ( -2.822 3.529 -7.871) 9.076 10.190 ( 1.502 1.090 1.409) 2.330 10.250 ( -0.147 1.385 -3.865) 4.109 10.513 ( -3.021 1.423 3.317) 4.707 10.596 ( 1.286 -0.327 -3.991) 4.206 10.744 ( 1.700 10.267 1.733) 10.550 10.797 ( 2.366 10.305 -2.206) 10.801 10.836 ( -2.841 9.830 4.374) 11.128 10.941 ( 2.365 9.236 -5.056) 10.792 11.466 ( -0.331 2.762 5.061) 5.775 11.517 ( -1.525 5.264 -0.152) 5.483 11.654 ( 5.587 4.965 2.363) 7.839 11.686 ( -3.387 1.319 -0.509) 3.670 11.905 ( 7.711 0.199 7.073) 10.466 11.927 ( -4.183 7.220 3.528) 9.059 12.040 ( -4.087 -3.189 -1.221) 5.325 12.119 ( -3.045 -4.337 -7.185) 8.928 12.395 ( 4.849 3.153 4.273) 7.191 12.461 ( -2.338 0.879 -0.835) 2.634 12.550 ( 2.993 -2.117 3.991) 5.419 12.619 ( -3.876 0.786 -2.058) 4.458 12.726 ( 4.311 -3.247 4.109) 6.783 12.825 ( -2.552 -5.423 -3.689) 7.038 13.052 ( -6.652 -1.592 2.295) 7.214 13.180 ( 5.345 -0.636 -7.747) 9.433 13.242 ( 5.821 -3.431 -0.103) 6.758 13.272 ( -3.836 -2.959 -2.130) 5.293 13.627 ( 2.071 2.808 8.980) 9.634 13.760 ( -3.340 -1.611 -0.334) 3.724 13.795 ( -4.816 2.527 -0.799) 5.497 13.877 ( 5.157 2.143 -7.223) 9.130 14.286 ( -0.894 -9.587 2.861) 10.045 14.325 ( -0.192 -9.602 -0.014) 9.603 14.634 ( 5.498 -11.746 7.097) 14.784 14.679 ( -6.347 -7.623 2.567) 10.246 14.822 ( 4.727 -5.844 -0.783) 7.557 14.907 ( -3.387 -9.494 -5.022) 11.262 15.012 ( 0.066 -5.047 2.525) 5.644 15.112 ( 3.046 -2.298 -6.335) 7.395 15.524 ( 2.545 -10.190 0.940) 10.545 15.558 ( -7.189 -12.353 -3.510) 14.717 15.700 ( 0.826 -16.080 10.886) 19.436 15.906 ( 0.669 -16.067 -9.131) 18.493 17.156 ( -2.851 -2.083 2.785) 4.497 17.229 ( 3.899 -0.376 -4.529) 5.988 17.862 ( -2.613 11.434 6.128) 13.233 17.982 ( 1.284 10.813 -5.876) 12.373 18.716 ( 1.430 -2.955 1.984) 3.836 18.747 ( -0.834 -4.671 -1.057) 4.862 21.738 ( 8.119 11.449 13.563) 19.518 22.052 ( -12.343 8.686 -17.296) 22.956 23.430 ( 7.858 -11.687 10.776) 17.732 23.622 ( -4.508 -11.225 -8.086) 14.550 ======================= Grid point 234 (113/141) ======================= q-point: (-0.10 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.426 ( -17.969 19.473 4.853) 26.938 2.777 ( 16.037 14.696 18.015) 28.244 2.892 ( 1.150 22.069 -8.758) 23.771 3.087 ( 8.467 16.774 -14.433) 23.693 3.340 ( 8.478 17.099 15.460) 24.562 3.486 ( 1.836 12.306 0.394) 12.448 3.863 ( 5.716 11.626 -2.474) 13.190 3.949 ( 8.124 14.490 -8.261) 18.552 4.414 ( -2.941 29.226 11.409) 31.511 4.659 ( 5.825 24.725 0.066) 25.402 4.941 ( 1.742 1.858 14.705) 14.924 5.173 ( -5.417 8.609 -8.748) 13.416 5.325 ( 7.198 6.079 -9.507) 13.384 5.346 ( 4.837 12.319 -4.741) 14.059 5.948 ( -0.688 9.011 5.028) 10.342 6.050 ( -0.171 5.530 -6.206) 8.314 6.400 ( -0.862 16.433 2.928) 16.714 6.429 ( -3.005 11.620 1.131) 12.056 6.780 ( -3.577 -7.034 9.311) 12.206 6.836 ( -4.702 -3.451 1.578) 6.042 7.024 ( 1.147 -0.676 -3.572) 3.812 7.097 ( 0.181 5.825 4.865) 7.592 7.126 ( 7.626 4.256 -7.464) 11.488 7.279 ( 1.244 3.018 -10.781) 11.264 7.529 ( -1.300 3.058 4.733) 5.783 7.578 ( 6.676 6.461 4.370) 10.267 7.743 ( -3.272 -1.917 2.397) 4.486 8.038 ( 8.377 -11.000 -10.562) 17.399 8.379 ( -5.206 -1.594 2.402) 5.951 8.486 ( -1.054 -0.093 -4.225) 4.356 8.946 ( -8.999 2.845 5.353) 10.851 9.013 ( 2.633 2.602 7.590) 8.445 9.239 ( -1.604 1.955 -4.179) 4.884 9.416 ( 10.920 1.377 -2.873) 11.375 9.578 ( -7.472 6.804 -2.474) 10.404 9.633 ( 0.841 5.181 -0.111) 5.250 9.863 ( -0.550 -3.505 2.395) 4.280 9.940 ( 5.143 -5.383 -1.275) 7.554 10.155 ( -0.155 7.234 -1.130) 7.324 10.199 ( 5.706 2.267 -1.491) 6.319 10.408 ( -6.401 11.438 3.946) 13.688 10.534 ( -3.517 2.032 1.000) 4.183 10.592 ( 2.404 3.197 -4.581) 6.081 10.683 ( 3.019 3.134 -2.987) 5.278 10.818 ( 1.092 3.865 -0.985) 4.135 10.855 ( 6.040 -1.067 0.501) 6.154 11.395 ( -0.353 6.786 4.924) 8.392 11.404 ( -0.189 5.602 1.736) 5.867 11.530 ( -4.795 9.201 -4.288) 11.227 11.652 ( 2.557 3.714 0.164) 4.512 11.775 ( -0.205 6.809 2.815) 7.371 11.934 ( 9.028 7.499 3.567) 12.267 12.034 ( -4.069 3.516 0.199) 5.381 12.107 ( 1.103 0.713 3.682) 3.910 12.372 ( 0.263 1.148 -1.163) 1.655 12.401 ( 4.132 5.748 -1.238) 7.186 12.584 ( -2.273 -0.795 1.349) 2.761 12.618 ( 2.194 -0.132 0.788) 2.335 12.799 ( 0.850 -1.051 7.602) 7.721 12.919 ( -3.162 -9.363 -9.215) 13.512 13.044 ( -5.267 -4.037 4.186) 7.847 13.220 ( -4.197 -4.794 -1.320) 6.507 13.309 ( 1.852 -2.114 -5.228) 5.936 13.387 ( 6.960 -4.289 -3.931) 9.071 13.651 ( 2.320 -2.215 8.577) 9.157 13.687 ( -6.107 0.969 -3.937) 7.330 13.834 ( -2.901 -7.799 1.711) 8.495 13.928 ( 2.959 -3.088 -3.575) 5.574 14.438 ( -2.819 -9.798 4.762) 11.252 14.493 ( -0.677 -10.057 -0.722) 10.106 14.692 ( -5.105 -3.050 2.806) 6.575 14.809 ( 0.367 -1.945 -1.335) 2.387 14.882 ( -5.919 -6.788 2.796) 9.430 15.036 ( 5.155 -5.106 -0.870) 7.308 15.206 ( 0.602 -12.690 -3.293) 13.124 15.233 ( 0.248 -8.327 -1.698) 8.502 15.636 ( -10.149 -10.985 -3.566) 15.375 15.733 ( 3.274 -8.722 1.413) 9.423 16.009 ( -3.175 -19.265 10.398) 22.121 16.189 ( -3.502 -19.670 -9.018) 21.920 17.151 ( -1.453 -0.956 -1.293) 2.167 17.261 ( 8.780 3.699 -1.908) 9.717 17.634 ( -9.021 11.025 5.781) 15.374 17.849 ( 4.735 6.951 -4.212) 9.407 18.752 ( -3.585 -4.483 0.731) 5.786 18.833 ( 3.606 -1.949 -0.747) 4.167 21.631 ( 4.989 13.486 11.923) 18.680 21.754 ( -3.897 11.159 -12.831) 17.446 23.625 ( -9.669 -12.232 2.181) 15.744 23.826 ( 7.041 -10.603 -1.608) 12.829 ======================= Grid point 238 (114/141) ======================= q-point: ( 0.30 0.30 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.783 ( 13.842 -0.000 -10.438) 17.337 2.908 ( 11.433 -0.000 20.304) 23.302 3.094 ( 25.676 -0.000 -19.757) 32.398 3.283 ( 14.950 -0.000 25.254) 29.348 3.847 ( 30.231 -0.000 -6.517) 30.926 3.879 ( 28.062 -0.000 -5.081) 28.518 3.985 ( 14.819 -0.000 2.129) 14.972 4.200 ( 18.269 -0.000 5.645) 19.121 4.526 ( 7.576 -0.000 -12.926) 14.982 4.683 ( 6.884 -0.000 -2.616) 7.364 4.865 ( 2.877 -0.000 7.054) 7.618 5.177 ( -0.079 0.000 6.857) 6.858 5.266 ( 10.946 -0.000 -0.937) 10.986 5.357 ( 9.048 -0.000 0.376) 9.056 5.801 ( 7.639 -0.000 1.854) 7.861 5.934 ( 6.368 -0.000 1.029) 6.451 6.024 ( 6.199 -0.000 -0.161) 6.201 6.122 ( 7.203 -0.000 -10.573) 12.793 6.662 ( -2.817 0.000 0.512) 2.863 6.705 ( -12.117 0.000 -7.096) 14.042 6.962 ( -6.419 0.000 -8.277) 10.475 7.159 ( 2.474 -0.000 1.186) 2.744 7.258 ( 9.262 -0.000 8.515) 12.581 7.367 ( -10.474 0.000 -5.505) 11.832 7.624 ( 9.533 -0.000 -2.743) 9.920 7.729 ( 0.028 -0.000 2.319) 2.319 7.882 ( 1.765 -0.000 4.083) 4.448 8.060 ( 9.571 -0.000 15.209) 17.970 8.155 ( 9.024 -0.000 1.289) 9.115 8.388 ( -4.942 0.000 6.918) 8.503 8.708 ( -1.653 0.000 -6.914) 7.108 8.887 ( 3.923 -0.000 -1.902) 4.360 9.397 ( 2.076 -0.000 6.356) 6.687 9.518 ( -7.603 0.000 -8.936) 11.733 9.554 ( 10.500 -0.000 -4.089) 11.269 9.684 ( -0.101 0.000 6.827) 6.828 9.796 ( -1.190 0.000 0.047) 1.191 9.969 ( 4.901 -0.000 2.551) 5.525 10.115 ( -0.679 0.000 -3.342) 3.410 10.377 ( -3.432 0.000 -5.646) 6.607 10.536 ( 2.860 -0.000 -0.279) 2.873 10.634 ( 6.919 -0.000 1.433) 7.065 10.641 ( 18.142 -0.000 0.578) 18.151 10.852 ( -4.743 0.000 -0.435) 4.763 10.890 ( 13.015 -0.000 -7.499) 15.021 10.998 ( 1.381 -0.000 0.790) 1.591 11.235 ( 6.024 -0.000 -2.053) 6.364 11.291 ( 5.378 -0.000 -0.771) 5.433 11.494 ( 9.102 -0.000 2.780) 9.517 11.508 ( 1.728 -0.000 -3.370) 3.787 11.795 ( 5.179 -0.000 -2.182) 5.620 11.981 ( -2.293 0.000 7.040) 7.404 12.123 ( -5.672 0.000 1.485) 5.863 12.181 ( 7.930 -0.000 -1.153) 8.014 12.286 ( 3.399 -0.000 1.287) 3.634 12.335 ( 1.610 -0.000 2.157) 2.692 12.626 ( -9.505 0.000 -0.635) 9.526 12.634 ( -3.091 0.000 1.057) 3.266 12.840 ( 1.121 -0.000 -4.495) 4.633 12.943 ( -3.584 0.000 1.142) 3.762 13.153 ( -7.642 0.000 -2.505) 8.042 13.195 ( -7.579 0.000 2.546) 7.995 13.253 ( -7.627 0.000 -1.612) 7.796 13.348 ( -2.256 0.000 -4.115) 4.692 13.451 ( 3.639 -0.000 8.209) 8.979 13.556 ( 6.161 -0.000 -3.410) 7.042 13.920 ( 1.806 -0.000 2.838) 3.364 14.175 ( 1.478 -0.000 9.019) 9.140 14.351 ( -11.835 0.000 7.325) 13.918 14.418 ( -5.664 0.000 -5.671) 8.016 14.568 ( -7.012 0.000 -0.060) 7.012 14.795 ( -7.695 0.000 -1.051) 7.767 14.867 ( -14.787 0.000 -2.480) 14.994 14.886 ( -0.284 0.000 -6.209) 6.216 15.026 ( -10.567 0.000 2.844) 10.943 15.148 ( -7.853 0.000 -9.664) 12.453 15.554 ( -1.379 0.000 -6.073) 6.228 15.646 ( -14.196 0.000 -6.925) 15.795 16.032 ( -13.120 0.000 4.634) 13.914 16.066 ( -20.635 0.000 9.605) 22.760 17.014 ( 2.778 -0.000 -3.938) 4.819 17.157 ( -1.956 0.000 2.629) 3.277 17.682 ( 9.155 -0.000 -3.714) 9.880 17.835 ( 3.384 -0.000 0.478) 3.418 18.919 ( 2.376 -0.000 0.204) 2.385 19.049 ( 2.580 -0.000 1.697) 3.088 21.648 ( 15.227 -0.000 -3.127) 15.545 22.172 ( 7.122 -0.000 13.768) 15.501 23.396 ( -10.608 0.000 -6.559) 12.472 23.680 ( -14.516 0.000 1.369) 14.581 ======================= Grid point 239 (115/141) ======================= q-point: ( 0.40 0.30 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.070 ( 13.670 -18.605 -6.875) 24.089 3.177 ( 9.013 -14.733 8.536) 19.265 3.306 ( 21.263 -1.096 -5.952) 22.108 3.485 ( 13.507 -4.161 21.644) 25.849 3.813 ( 24.583 17.587 -7.802) 31.217 4.085 ( 13.164 -0.395 4.641) 13.964 4.385 ( 11.250 -5.856 -0.319) 12.687 4.459 ( 10.398 -18.249 -8.361) 22.607 4.598 ( 11.166 -0.301 0.029) 11.170 4.841 ( 10.330 -7.975 -5.139) 14.026 4.902 ( 3.462 -2.035 4.350) 5.920 5.131 ( -1.376 5.932 -1.766) 6.341 5.245 ( 1.897 0.214 1.046) 2.177 5.577 ( 2.846 -10.016 -1.586) 10.533 5.736 ( 4.776 9.558 -1.304) 10.764 6.048 ( 7.453 -2.801 1.697) 8.141 6.177 ( 9.183 -5.300 1.233) 10.674 6.270 ( 8.850 -9.557 -4.475) 13.773 6.521 ( -12.044 5.253 -2.307) 13.341 6.611 ( -2.149 0.818 -1.800) 2.920 6.996 ( -2.956 -7.126 -4.807) 9.090 7.130 ( 2.740 1.313 2.315) 3.820 7.284 ( -8.045 -2.365 -5.332) 9.937 7.463 ( 3.059 -9.623 5.185) 11.351 7.647 ( -3.103 -1.029 0.651) 3.333 7.808 ( 11.590 -0.959 2.890) 11.983 7.849 ( -4.276 1.576 11.868) 12.713 8.133 ( 15.709 6.536 0.894) 17.038 8.386 ( 15.506 -8.365 4.924) 18.294 8.401 ( -5.920 -6.738 2.980) 9.452 8.649 ( -0.052 5.636 -5.379) 7.791 8.896 ( 3.566 3.277 -2.513) 5.456 9.126 ( 2.844 16.078 -8.539) 18.425 9.509 ( -1.659 1.223 4.493) 4.943 9.721 ( 3.414 -2.643 2.971) 5.241 9.731 ( 2.415 -1.703 3.711) 4.744 9.878 ( -0.264 -7.604 -1.323) 7.723 10.046 ( 0.794 -6.262 0.346) 6.322 10.109 ( -1.606 -1.476 -2.468) 3.294 10.319 ( -1.450 1.051 -4.769) 5.094 10.543 ( 1.461 1.561 1.168) 2.436 10.623 ( 6.074 3.943 -0.507) 7.260 10.810 ( 6.392 0.875 -3.091) 7.154 10.817 ( -2.797 -3.230 0.032) 4.272 10.985 ( 3.530 -2.106 -5.212) 6.638 11.100 ( 13.358 -3.763 -0.649) 13.893 11.348 ( 2.350 -5.749 1.233) 6.332 11.378 ( 8.245 -2.724 -0.505) 8.698 11.527 ( 5.980 0.719 -2.658) 6.584 11.584 ( 6.189 -0.134 0.425) 6.205 11.838 ( -0.530 -2.282 -5.213) 5.716 11.964 ( -4.331 -0.972 4.924) 6.630 12.086 ( -2.736 -1.788 3.288) 4.636 12.228 ( -7.964 2.094 2.906) 8.733 12.259 ( 7.160 0.703 0.443) 7.208 12.428 ( 7.297 -1.860 3.749) 8.412 12.524 ( -7.756 1.335 -1.983) 8.116 12.582 ( -5.276 0.783 -1.181) 5.463 12.812 ( 0.929 3.258 -1.472) 3.693 12.908 ( -11.533 -0.060 1.010) 11.578 12.988 ( -3.722 3.426 0.385) 5.073 13.121 ( -2.225 3.593 0.597) 4.268 13.207 ( -0.218 -1.323 -3.212) 3.480 13.375 ( -2.970 -6.287 -2.348) 7.339 13.551 ( 9.158 -0.050 4.405) 10.162 13.660 ( 7.904 -3.842 0.152) 8.790 13.930 ( -0.674 0.647 0.573) 1.096 14.159 ( 0.317 4.450 8.627) 9.712 14.239 ( -9.693 2.343 7.818) 12.671 14.356 ( -4.243 1.404 -4.633) 6.437 14.473 ( -3.867 4.007 -3.132) 6.389 14.638 ( -13.540 7.602 1.309) 15.583 14.698 ( -7.262 1.494 -2.765) 7.913 14.856 ( -6.048 3.037 -2.553) 7.233 14.957 ( -7.964 -4.952 -2.497) 9.704 15.135 ( -5.195 -6.234 -7.569) 11.097 15.370 ( -4.167 9.459 -3.840) 11.027 15.628 ( -7.616 -2.637 -4.698) 9.328 15.809 ( -14.747 7.692 4.537) 17.240 15.939 ( -14.193 -0.102 6.551) 15.632 16.987 ( 3.153 4.390 -2.814) 6.094 17.117 ( -3.238 2.587 2.161) 4.674 17.770 ( 8.744 -2.858 -3.507) 9.845 17.948 ( 1.756 -8.204 0.432) 8.401 18.907 ( 2.942 4.463 0.741) 5.397 19.053 ( 1.183 2.243 1.098) 2.763 21.794 ( 14.666 -0.621 -2.797) 14.943 22.254 ( 1.753 -2.124 12.181) 12.488 23.228 ( -6.635 7.443 -5.367) 11.324 23.568 ( -13.845 -1.803 -0.004) 13.962 ======================= Grid point 240 (116/141) ======================= q-point: ( 0.50 0.30 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.410 ( 20.607 3.666 -7.885) 22.367 3.552 ( 6.214 -14.224 1.901) 15.638 3.585 ( 10.206 -18.032 8.958) 22.574 3.747 ( 27.317 8.455 0.062) 28.595 3.797 ( 5.949 -10.687 8.019) 14.626 4.172 ( 3.341 1.301 2.511) 4.378 4.469 ( -3.766 -1.261 -1.054) 4.109 4.594 ( -2.895 1.178 -5.394) 6.234 4.755 ( 5.563 -0.080 1.823) 5.854 4.972 ( -0.899 1.133 0.152) 1.454 5.050 ( 3.320 -9.715 -3.272) 10.775 5.129 ( 8.797 -6.741 -6.284) 12.741 5.395 ( 5.881 -15.082 0.066) 16.188 5.635 ( 7.752 8.233 0.066) 11.308 5.699 ( -3.955 -7.066 -2.336) 8.428 6.106 ( -6.239 4.538 5.420) 9.428 6.292 ( 8.046 -2.648 -7.324) 11.198 6.444 ( 3.018 -4.609 1.557) 5.725 6.495 ( 4.919 -6.713 0.081) 8.322 6.641 ( 1.379 -5.025 1.089) 5.323 7.014 ( -6.081 -0.163 3.678) 7.109 7.197 ( 0.259 -6.068 -1.911) 6.367 7.311 ( 2.082 -6.896 -7.115) 10.125 7.601 ( -1.148 -5.024 -0.233) 5.159 7.645 ( -2.003 -1.292 5.562) 6.051 7.821 ( -2.128 -0.292 7.529) 7.830 7.958 ( 8.330 -2.645 6.201) 10.716 8.125 ( 8.077 8.485 -1.899) 11.868 8.437 ( -7.699 2.387 1.716) 8.241 8.520 ( -2.087 -1.209 -2.517) 3.486 8.668 ( 11.949 -2.069 -2.827) 12.452 8.861 ( -0.991 -0.022 -4.011) 4.132 9.034 ( 17.120 1.596 -3.961) 17.644 9.498 ( -1.919 -2.800 4.588) 5.707 9.737 ( 1.293 3.403 3.178) 4.832 9.761 ( 5.046 2.523 2.540) 6.188 9.942 ( -0.404 -1.436 -0.528) 1.582 10.100 ( -0.742 1.462 3.429) 3.801 10.188 ( -1.768 -8.975 0.776) 9.181 10.317 ( -4.737 -2.270 -6.474) 8.337 10.496 ( -3.788 3.008 5.068) 7.006 10.623 ( 4.012 1.465 -5.378) 6.867 10.824 ( 4.060 0.338 -3.284) 5.232 10.911 ( 4.931 -6.977 0.916) 8.593 11.025 ( -4.989 -4.623 -1.766) 7.028 11.296 ( 8.343 -5.536 -2.349) 10.284 11.393 ( -3.179 -2.198 -0.938) 3.977 11.474 ( 3.817 7.128 -0.013) 8.086 11.564 ( 7.024 0.025 0.744) 7.064 11.611 ( 5.500 0.178 -3.645) 6.600 11.865 ( 0.030 -1.942 -2.446) 3.124 11.982 ( -1.420 -3.556 0.386) 3.849 12.065 ( -9.664 2.252 5.884) 11.536 12.193 ( 5.597 -2.232 1.109) 6.127 12.260 ( -1.377 2.656 -1.543) 3.366 12.424 ( -5.863 1.831 -1.781) 6.395 12.494 ( -1.345 0.143 2.568) 2.902 12.533 ( -4.794 -4.264 -1.136) 6.516 12.774 ( 5.397 1.622 1.300) 5.784 12.866 ( 1.070 1.262 0.921) 1.893 12.937 ( 4.110 2.336 1.810) 5.062 13.120 ( 2.734 -3.156 3.049) 5.170 13.238 ( -2.770 -4.151 -5.057) 7.105 13.465 ( -4.892 -7.273 -0.333) 8.771 13.637 ( 5.474 -2.041 2.493) 6.352 13.708 ( -2.209 5.459 0.042) 5.889 13.965 ( 8.954 -3.751 -1.912) 9.894 14.093 ( 0.091 4.272 7.962) 9.037 14.115 ( -6.624 4.807 5.478) 9.849 14.245 ( -5.931 3.956 -2.020) 7.410 14.377 ( -3.046 4.454 -1.611) 5.632 14.407 ( -3.953 8.208 -0.448) 9.121 14.592 ( -6.533 3.063 -4.198) 8.348 14.739 ( -9.781 -0.006 -1.362) 9.875 14.982 ( -2.294 -3.502 -1.028) 4.311 15.169 ( -4.904 -3.584 -4.489) 7.553 15.214 ( -0.231 4.774 -3.429) 5.882 15.467 ( -11.772 8.746 0.359) 14.670 15.613 ( -4.009 4.837 -0.440) 6.297 15.802 ( -10.908 2.836 3.715) 11.867 16.954 ( 1.188 1.170 -0.476) 1.734 17.041 ( -3.218 1.846 0.063) 3.710 17.941 ( 9.019 -7.268 -2.968) 11.957 18.097 ( -0.736 -8.078 1.125) 8.189 18.835 ( 4.035 8.070 1.032) 9.082 18.993 ( -1.488 5.034 0.565) 5.280 21.933 ( 13.920 0.337 -1.069) 13.965 22.321 ( -3.579 -4.471 9.168) 10.810 23.047 ( 0.733 8.530 -4.027) 9.461 23.455 ( -14.136 -0.927 -1.497) 14.245 ======================= Grid point 241 (117/141) ======================= q-point: ( 0.60 0.30 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.437 ( 18.881 14.530 -0.577) 23.832 3.620 ( 4.649 4.219 1.289) 6.409 3.883 ( 12.085 -1.729 0.137) 12.209 3.977 ( 6.730 -6.881 -2.808) 10.026 4.061 ( 4.491 0.265 7.934) 9.121 4.142 ( 0.419 -0.085 1.899) 1.946 4.388 ( -14.872 -4.979 -0.662) 15.698 4.435 ( -8.836 6.067 -5.059) 11.853 4.790 ( 8.056 1.916 2.111) 8.545 4.942 ( -3.118 -1.510 -1.043) 3.618 5.211 ( -0.108 -5.144 1.296) 5.306 5.306 ( 5.202 -6.298 -4.641) 9.395 5.590 ( 9.476 4.413 0.904) 10.492 5.732 ( -5.900 -12.200 9.190) 16.374 5.779 ( -2.414 -1.383 -1.384) 3.108 5.939 ( -3.566 -6.528 -7.518) 10.576 6.438 ( 9.681 -2.142 -0.928) 9.958 6.588 ( 7.633 -5.252 -5.143) 10.597 6.632 ( -1.681 -8.614 0.761) 8.809 6.688 ( -6.011 -1.183 -0.266) 6.132 6.998 ( 2.114 -2.203 9.979) 10.436 7.261 ( -2.444 -2.801 -3.862) 5.361 7.495 ( 8.448 -2.451 -0.918) 8.844 7.557 ( -4.336 0.836 5.968) 7.424 7.737 ( -0.333 -6.183 -2.247) 6.587 7.848 ( 2.295 -1.526 2.609) 3.795 7.971 ( -0.316 10.973 -6.928) 12.981 8.017 ( 6.170 6.820 2.048) 9.422 8.285 ( -5.702 4.210 7.458) 10.289 8.546 ( -4.147 -2.088 -9.943) 10.973 8.709 ( 0.961 -2.577 3.931) 4.797 8.887 ( -3.233 -7.532 -5.611) 9.933 9.332 ( 18.080 -7.743 2.901) 19.881 9.568 ( -3.419 -2.424 1.712) 4.528 9.701 ( 4.306 0.292 3.235) 5.394 9.745 ( 6.183 6.053 2.060) 8.895 9.930 ( -1.976 0.835 -0.317) 2.168 10.086 ( 4.033 2.109 4.430) 6.351 10.183 ( -8.825 7.061 -7.570) 13.603 10.267 ( -7.992 -3.735 -0.652) 8.846 10.440 ( -1.883 -0.823 6.942) 7.240 10.633 ( 1.596 0.454 -6.614) 6.819 10.883 ( 3.159 -2.304 1.329) 4.130 10.987 ( 1.402 2.455 -1.489) 3.195 11.175 ( 0.485 -13.716 4.194) 14.351 11.280 ( -0.075 5.334 -1.393) 5.514 11.385 ( -1.172 0.353 -2.373) 2.670 11.497 ( -3.908 -9.265 -4.474) 11.006 11.621 ( 5.505 1.144 1.872) 5.926 11.645 ( 5.350 2.790 -2.387) 6.489 11.860 ( 4.096 5.079 2.236) 6.897 11.903 ( -1.545 1.988 0.939) 2.688 12.067 ( -4.744 0.938 -2.774) 5.575 12.107 ( -9.713 -0.806 -1.724) 9.898 12.323 ( 2.042 -1.674 -0.208) 2.649 12.362 ( -0.038 0.093 -1.116) 1.121 12.490 ( 3.446 -0.500 1.985) 4.008 12.615 ( -5.293 -8.173 -1.100) 9.800 12.817 ( 4.506 1.945 2.952) 5.727 12.837 ( 4.847 4.945 3.502) 7.760 13.004 ( 11.463 0.510 -1.759) 11.609 13.215 ( -6.547 -3.029 2.959) 7.797 13.293 ( 6.306 -3.015 -4.532) 8.331 13.416 ( -11.307 2.944 1.766) 11.817 13.645 ( 0.741 -3.910 3.765) 5.478 13.738 ( 1.168 -4.333 2.019) 4.921 13.961 ( -2.444 4.886 0.812) 5.523 14.042 ( 5.429 8.645 4.195) 11.037 14.110 ( -4.355 -7.166 1.362) 8.496 14.161 ( 3.325 3.377 -2.652) 5.431 14.257 ( -4.968 3.731 -1.495) 6.390 14.311 ( -1.425 2.888 -2.536) 4.099 14.476 ( 0.646 2.164 -2.399) 3.295 14.665 ( -7.938 -1.615 -2.416) 8.453 15.030 ( -0.644 -3.875 2.636) 4.731 15.159 ( 0.637 -0.403 0.738) 1.055 15.182 ( -2.178 -1.576 -8.134) 8.567 15.244 ( -6.194 6.068 0.260) 8.675 15.505 ( 0.674 6.448 3.161) 7.212 15.666 ( -6.541 2.804 -1.613) 7.297 16.971 ( -1.683 -2.928 2.050) 3.951 17.020 ( -0.762 -2.380 -2.797) 3.751 18.147 ( 7.339 -7.418 -2.861) 10.820 18.191 ( -3.046 -4.508 2.409) 5.950 18.731 ( 6.184 9.716 0.931) 11.554 18.858 ( -5.333 7.030 0.478) 8.837 22.035 ( 12.692 3.402 2.944) 13.465 22.337 ( -10.718 -3.318 1.807) 11.364 22.992 ( 11.280 3.303 0.459) 11.763 23.337 ( -14.133 -2.568 -3.782) 14.854 ======================= Grid point 242 (118/141) ======================= q-point: (-0.30 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.337 ( 15.038 15.789 4.113) 22.189 3.478 ( -12.251 10.190 -9.112) 18.356 3.773 ( -15.632 12.798 7.395) 21.513 3.953 ( 10.957 11.510 -9.162) 18.343 4.008 ( 3.266 6.759 7.204) 10.405 4.125 ( -2.949 2.674 -4.901) 6.314 4.275 ( -1.080 7.853 7.448) 10.877 4.423 ( 2.126 0.002 -6.546) 6.883 4.845 ( 0.536 -1.032 7.987) 8.071 5.003 ( 2.517 -7.242 -6.760) 10.222 5.222 ( -2.100 2.908 8.320) 9.061 5.389 ( -0.571 -1.984 -6.221) 6.555 5.545 ( -2.646 7.968 5.830) 10.221 5.632 ( 3.977 3.946 -3.758) 6.746 5.948 ( -6.030 -15.889 11.891) 20.741 6.180 ( 3.545 -12.103 -9.503) 15.791 6.498 ( -6.072 2.842 3.402) 7.519 6.575 ( 1.328 -1.072 -4.850) 5.141 6.713 ( 1.768 -3.951 2.329) 4.916 6.818 ( 2.656 -6.858 -7.527) 10.523 7.133 ( 3.342 -5.555 9.326) 11.358 7.257 ( -0.558 -0.483 0.696) 1.015 7.428 ( 0.455 4.539 5.528) 7.168 7.557 ( -2.714 4.801 -2.249) 5.956 7.690 ( -4.520 14.511 -1.721) 15.296 7.766 ( 9.742 8.590 -6.770) 14.647 7.891 ( -6.299 -1.683 0.679) 6.555 7.957 ( 2.674 4.183 -5.006) 7.050 8.317 ( 6.810 -6.379 7.912) 12.234 8.495 ( -5.311 -0.470 -9.603) 10.984 8.830 ( -1.286 -8.751 9.894) 13.271 9.010 ( 1.313 -8.125 -6.696) 10.610 9.412 ( -9.907 9.274 4.616) 14.334 9.492 ( 9.163 4.321 -1.439) 10.233 9.666 ( -3.925 2.163 8.584) 9.683 9.844 ( 5.450 2.698 2.798) 6.694 9.893 ( -5.173 1.916 -7.198) 9.068 9.981 ( 2.685 0.616 -6.600) 7.152 10.169 ( 5.409 -2.440 1.329) 6.080 10.194 ( -4.613 1.000 -1.281) 4.891 10.498 ( -0.178 -3.093 6.185) 6.917 10.612 ( -0.068 0.589 -4.738) 4.775 10.906 ( -1.968 1.208 3.352) 4.070 10.967 ( 2.615 1.680 -2.763) 4.159 11.169 ( -3.031 6.209 5.237) 8.670 11.304 ( 1.540 4.263 -7.060) 8.390 11.441 ( 5.242 -3.732 3.325) 7.243 11.504 ( -5.236 -2.284 -1.337) 5.867 11.644 ( -1.257 -4.571 3.401) 5.835 11.746 ( -1.933 -6.556 -5.363) 8.687 11.812 ( 8.868 3.945 4.342) 10.633 11.912 ( -7.466 3.419 -4.911) 9.568 11.990 ( 11.652 -2.873 2.931) 12.353 12.058 ( -11.908 -1.712 -3.513) 12.533 12.329 ( -2.272 -2.212 3.196) 4.503 12.390 ( 1.899 -0.707 -2.842) 3.490 12.561 ( 5.054 -0.228 4.453) 6.739 12.651 ( -5.482 -3.497 -2.868) 7.107 12.776 ( -2.628 4.761 3.353) 6.389 12.819 ( 9.229 5.348 1.149) 10.729 13.062 ( -15.852 3.070 0.756) 16.165 13.111 ( 13.321 1.095 -3.387) 13.788 13.286 ( -10.156 2.505 2.954) 10.870 13.377 ( 9.081 1.055 -5.574) 10.707 13.739 ( -0.304 -0.299 4.295) 4.316 13.790 ( -2.376 -1.186 1.386) 2.996 13.963 ( 7.970 4.038 0.813) 8.971 13.972 ( 0.159 2.006 4.298) 4.746 14.083 ( 4.561 3.034 3.126) 6.308 14.143 ( -2.553 -0.476 2.588) 3.667 14.240 ( -3.280 -7.855 -5.517) 10.144 14.289 ( -2.412 -8.260 -4.906) 9.905 14.556 ( -2.068 -6.222 1.489) 6.724 14.653 ( 2.601 -3.252 -7.407) 8.498 15.088 ( -3.143 -2.954 3.202) 5.371 15.128 ( 0.129 4.033 -0.676) 4.091 15.201 ( -3.296 -5.470 -0.218) 6.390 15.236 ( 4.574 -5.130 -3.704) 7.807 15.444 ( 0.901 1.763 8.379) 8.610 15.601 ( -1.464 -1.130 -6.735) 6.985 17.017 ( -3.127 -4.557 3.309) 6.442 17.097 ( 3.126 -5.730 -4.473) 7.913 18.181 ( -3.443 2.781 4.041) 5.993 18.268 ( 3.370 0.722 -4.342) 5.544 18.661 ( -0.995 4.124 2.664) 5.009 18.697 ( 0.798 4.319 -0.709) 4.449 22.066 ( 10.752 7.543 8.647) 15.724 22.225 ( -13.651 1.503 -6.480) 15.185 23.135 ( 9.847 -4.387 6.584) 12.632 23.292 ( -6.749 -7.241 -8.200) 12.854 ======================= Grid point 243 (119/141) ======================= q-point: (-0.20 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.023 ( -26.043 15.948 -10.489) 32.289 3.244 ( 12.382 12.581 7.723) 19.267 3.452 ( -9.569 12.208 2.139) 15.658 3.674 ( -8.110 17.799 -4.782) 20.136 3.905 ( 14.916 14.045 3.724) 20.823 4.047 ( -6.294 14.301 8.453) 17.764 4.138 ( 13.238 6.805 -3.930) 15.395 4.381 ( 8.963 9.250 -9.141) 15.794 4.843 ( -7.974 -1.667 8.697) 11.917 5.049 ( 0.330 8.497 5.095) 9.913 5.195 ( 0.532 -2.695 -2.924) 4.012 5.361 ( 3.946 4.614 -4.325) 7.454 5.436 ( -4.514 2.163 3.797) 6.282 5.618 ( 8.110 5.352 -1.847) 9.891 6.127 ( -4.378 -5.693 7.003) 10.031 6.283 ( 2.512 3.735 -2.697) 5.247 6.390 ( -9.674 -4.623 9.131) 14.083 6.661 ( 3.646 -5.169 -6.211) 8.865 6.736 ( -3.812 0.824 -1.369) 4.133 6.835 ( 0.965 4.613 -4.400) 6.447 7.147 ( -3.593 3.594 6.504) 8.255 7.308 ( 1.769 3.230 0.582) 3.728 7.369 ( -3.136 5.509 6.408) 9.014 7.464 ( -3.072 1.122 1.445) 3.575 7.479 ( -0.522 7.223 -6.449) 9.697 7.613 ( 1.299 0.926 -5.565) 5.789 7.861 ( 2.634 1.234 -7.487) 8.032 7.947 ( 12.068 7.727 -2.373) 14.525 8.391 ( -9.087 0.486 -4.166) 10.008 8.524 ( 8.220 -1.760 3.517) 9.112 8.974 ( 0.911 -5.746 7.382) 9.399 9.089 ( 0.699 3.307 1.900) 3.877 9.206 ( -6.801 0.273 -1.096) 6.895 9.452 ( 6.497 5.672 -4.411) 9.687 9.657 ( -3.282 -3.279 7.451) 8.777 9.765 ( -2.863 1.388 -1.172) 3.390 9.814 ( -1.735 2.835 3.579) 4.884 9.988 ( 3.534 6.868 -11.152) 13.566 10.173 ( 1.143 -3.480 0.425) 3.688 10.276 ( 5.159 -0.224 -1.263) 5.316 10.505 ( -2.613 0.413 3.760) 4.597 10.617 ( 2.648 0.504 -2.641) 3.774 10.868 ( -2.560 1.210 1.783) 3.346 10.886 ( -3.825 6.498 -3.615) 8.362 10.987 ( -4.568 11.859 4.933) 13.632 11.205 ( 8.032 12.107 -4.362) 15.170 11.498 ( -3.771 -3.634 -0.765) 5.293 11.548 ( 5.435 0.460 3.006) 6.228 11.671 ( -1.046 2.682 1.459) 3.227 11.754 ( 2.911 1.953 -0.279) 3.517 11.804 ( -9.551 -7.857 3.616) 12.885 11.895 ( -10.681 1.940 -2.096) 11.056 12.006 ( 5.028 -6.657 -0.309) 8.349 12.174 ( 12.571 0.600 -0.683) 12.604 12.387 ( -1.532 -5.598 0.182) 5.807 12.402 ( -0.066 -0.982 0.511) 1.109 12.571 ( -2.557 2.705 4.829) 6.097 12.652 ( -1.957 1.088 -4.643) 5.155 12.658 ( -6.150 -2.120 1.432) 6.661 12.833 ( 8.539 3.568 0.506) 9.268 12.946 ( -6.531 -3.525 2.457) 7.818 13.136 ( -10.152 2.167 1.801) 10.536 13.225 ( 11.002 -0.596 -5.279) 12.218 13.405 ( 9.852 5.789 -4.293) 12.206 13.702 ( -0.789 3.630 5.811) 6.897 13.733 ( -5.617 2.269 1.475) 6.235 13.833 ( -3.114 5.053 -2.431) 6.414 13.978 ( 7.201 3.569 -3.313) 8.693 14.175 ( 0.304 -4.294 2.195) 4.832 14.207 ( 4.714 -4.188 2.813) 6.905 14.397 ( -6.774 -14.195 0.712) 15.745 14.501 ( 4.351 -12.440 3.479) 13.630 14.615 ( -8.514 -12.326 -5.801) 16.065 14.804 ( 8.830 -6.574 -5.211) 12.179 15.021 ( -3.548 5.259 2.971) 7.005 15.112 ( 1.431 0.157 -2.086) 2.534 15.275 ( -7.070 -9.032 0.685) 11.491 15.425 ( 7.529 -9.832 0.596) 12.398 15.516 ( -1.440 -8.328 8.136) 11.731 15.655 ( -1.927 -8.219 -7.673) 11.408 17.066 ( -3.028 -4.046 2.443) 5.613 17.239 ( 7.549 -5.331 -3.922) 10.039 18.050 ( -2.119 10.171 5.415) 11.716 18.159 ( -0.084 10.996 -4.657) 11.941 18.584 ( -9.799 -4.202 0.070) 10.663 18.760 ( 8.403 -1.379 0.832) 8.556 22.021 ( -8.563 6.832 -5.970) 12.476 22.031 ( 5.034 8.462 8.888) 13.264 23.241 ( -9.884 -9.804 -0.858) 13.948 23.480 ( 12.531 -9.151 -1.899) 15.632 ======================= Grid point 244 (120/141) ======================= q-point: (-0.10 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.517 ( -18.765 14.048 -5.643) 24.110 3.068 ( -8.394 15.547 -0.374) 17.672 3.234 ( 0.586 6.009 -7.450) 9.589 3.360 ( 11.900 18.269 5.467) 22.478 3.764 ( 4.118 16.798 10.464) 20.215 3.832 ( 18.887 15.991 6.467) 25.579 4.097 ( 8.015 9.701 -1.591) 12.684 4.289 ( 14.294 11.738 -10.352) 21.196 4.727 ( -7.481 11.102 6.899) 15.060 4.913 ( -1.042 6.234 6.651) 9.175 5.127 ( 0.331 8.590 -2.465) 8.943 5.293 ( 4.770 10.347 -0.539) 11.406 5.416 ( 3.720 0.101 -3.221) 4.921 5.580 ( 7.489 8.382 0.992) 11.284 6.084 ( -1.892 3.380 -1.346) 4.101 6.131 ( -1.459 11.739 0.097) 11.830 6.515 ( -6.470 -11.596 14.948) 19.995 6.589 ( -6.729 7.392 -4.988) 11.171 6.684 ( -0.005 11.864 -2.200) 12.067 6.800 ( 2.664 -3.598 2.886) 5.327 7.040 ( -1.104 6.186 -0.261) 6.289 7.177 ( -7.096 6.636 0.359) 9.722 7.218 ( 1.191 4.006 -7.999) 9.025 7.345 ( -0.081 2.527 -1.334) 2.858 7.508 ( 2.077 -2.569 3.702) 4.962 7.742 ( 4.856 1.456 -2.344) 5.585 7.900 ( 6.410 -2.261 -4.151) 7.964 7.913 ( 13.363 4.706 -7.081) 15.839 8.263 ( -10.880 0.565 -5.335) 12.131 8.545 ( 2.315 5.658 3.127) 6.866 8.936 ( -6.511 4.397 5.506) 9.594 9.116 ( 7.317 -0.859 9.557) 12.067 9.216 ( -0.897 -1.233 -4.681) 4.923 9.448 ( 0.899 -1.412 -0.361) 1.713 9.619 ( -6.639 5.371 -3.975) 9.420 9.762 ( -2.244 2.822 3.090) 4.748 9.816 ( 6.307 -3.452 2.691) 7.677 9.928 ( 8.866 0.498 -4.981) 10.182 10.222 ( -0.496 0.602 -0.637) 1.007 10.280 ( 3.929 1.857 -1.209) 4.511 10.489 ( -0.223 0.810 4.527) 4.604 10.591 ( -3.705 9.556 0.314) 10.254 10.676 ( -3.086 8.191 -5.263) 10.214 10.759 ( 1.351 5.732 -1.463) 6.068 10.872 ( -0.683 -2.038 1.519) 2.632 11.047 ( 8.337 14.700 -3.131) 17.187 11.473 ( -1.242 4.961 2.738) 5.801 11.535 ( -0.498 5.232 -0.136) 5.257 11.602 ( -3.197 2.560 1.066) 4.232 11.682 ( 0.630 4.207 -2.079) 4.735 11.858 ( -0.904 -3.428 -2.438) 4.303 11.930 ( -4.504 -8.310 6.349) 11.386 12.052 ( 2.693 4.632 4.721) 7.141 12.228 ( 7.858 2.921 -0.129) 8.384 12.369 ( -2.535 -0.581 -1.186) 2.858 12.475 ( -4.189 2.698 -0.106) 4.984 12.529 ( 3.864 -5.876 -0.007) 7.033 12.646 ( 1.595 0.017 1.421) 2.136 12.711 ( -4.155 -8.176 -3.918) 9.973 12.852 ( 4.424 2.452 1.303) 5.223 12.977 ( -2.657 -0.378 0.868) 2.821 13.059 ( -8.303 -5.443 1.431) 10.030 13.318 ( 5.868 0.294 -8.781) 10.565 13.397 ( 5.719 0.501 0.573) 5.769 13.629 ( -2.788 1.633 3.544) 4.796 13.685 ( -2.457 1.105 0.618) 2.764 13.765 ( 1.698 0.736 2.133) 2.824 13.969 ( 4.124 3.106 -5.361) 7.442 14.278 ( -1.381 -7.075 5.226) 8.904 14.339 ( 1.390 -7.442 0.577) 7.593 14.534 ( -7.503 -9.833 1.681) 12.483 14.641 ( -7.224 -11.017 -3.304) 13.582 14.828 ( -3.406 0.964 2.802) 4.514 14.905 ( 3.523 -10.918 1.537) 11.575 15.028 ( 1.791 -9.209 -4.781) 10.530 15.136 ( 1.054 -2.741 -5.743) 6.450 15.363 ( -7.925 -9.551 2.094) 12.587 15.638 ( 0.529 -6.036 6.165) 8.644 15.705 ( -0.064 -14.960 6.602) 16.352 15.808 ( -6.713 -17.047 -9.272) 20.534 17.104 ( -0.932 -2.780 -1.114) 3.137 17.375 ( 8.569 -0.789 -1.651) 8.762 17.817 ( -3.224 15.620 5.917) 17.011 17.986 ( 1.104 7.122 -3.816) 8.155 18.603 ( -6.915 -7.054 -0.506) 9.891 18.852 ( 5.339 -1.110 0.238) 5.458 21.783 ( -8.357 8.225 -11.338) 16.311 21.975 ( 9.273 9.781 16.502) 21.307 23.312 ( -11.795 -11.542 -4.842) 17.198 23.739 ( 8.545 -8.661 0.508) 12.178 ======================= Grid point 249 (121/141) ======================= q-point: ( 0.40 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.008 ( 11.640 -0.000 -4.221) 12.382 3.091 ( 1.634 -0.000 12.697) 12.802 3.529 ( 24.118 -0.000 -11.621) 26.772 3.548 ( 3.297 -0.000 23.708) 23.937 4.156 ( 4.203 -0.000 5.260) 6.733 4.278 ( 10.622 -0.000 -10.479) 14.921 4.361 ( 21.070 -0.000 -10.635) 23.601 4.399 ( 9.874 -0.000 -1.059) 9.930 4.740 ( 9.754 -0.000 3.381) 10.324 4.825 ( 5.644 -0.000 -0.335) 5.654 4.892 ( 1.566 -0.000 0.524) 1.651 5.125 ( -1.129 0.000 1.766) 2.096 5.391 ( 4.082 -0.000 -7.245) 8.316 5.421 ( -4.586 0.000 -5.623) 7.256 5.904 ( 6.927 -0.000 -1.952) 7.197 6.080 ( 5.022 -0.000 8.526) 9.895 6.218 ( 6.807 -0.000 5.378) 8.675 6.228 ( 7.486 -0.000 -10.965) 13.277 6.463 ( -7.188 0.000 -1.763) 7.402 6.624 ( -0.939 0.000 0.370) 1.010 6.892 ( 0.919 -0.000 -8.115) 8.167 7.062 ( -14.590 0.000 0.838) 14.614 7.246 ( 1.348 -0.000 2.228) 2.604 7.408 ( 0.497 -0.000 8.492) 8.506 7.633 ( 3.821 -0.000 -2.370) 4.496 7.838 ( -6.163 0.000 16.968) 18.052 7.914 ( 8.885 -0.000 3.478) 9.541 8.261 ( -7.433 0.000 -0.517) 7.451 8.421 ( 15.551 -0.000 -2.824) 15.806 8.424 ( 15.300 -0.000 0.890) 15.326 8.717 ( 6.707 -0.000 -5.076) 8.411 8.981 ( 5.686 -0.000 -2.063) 6.049 9.356 ( -3.674 0.000 -6.892) 7.810 9.439 ( -1.100 0.000 6.274) 6.370 9.654 ( -4.922 0.000 10.392) 11.499 9.721 ( 8.302 -0.000 -6.099) 10.301 9.853 ( 5.335 -0.000 -1.859) 5.649 10.052 ( -3.579 0.000 -3.748) 5.182 10.055 ( 1.945 -0.000 5.443) 5.780 10.300 ( -2.458 0.000 -8.127) 8.490 10.533 ( -0.780 0.000 -2.708) 2.818 10.670 ( -13.490 0.000 3.873) 14.035 10.722 ( 0.094 -0.000 3.416) 3.417 10.890 ( 1.948 -0.000 -10.772) 10.946 11.091 ( 14.104 -0.000 -0.573) 14.115 11.119 ( 11.209 -0.000 -1.381) 11.294 11.384 ( 1.809 -0.000 -0.848) 1.998 11.391 ( 9.922 -0.000 2.656) 10.272 11.587 ( 6.607 -0.000 -1.654) 6.810 11.668 ( 6.761 -0.000 1.431) 6.911 11.793 ( -3.230 0.000 -5.815) 6.652 11.945 ( 0.281 -0.000 4.903) 4.911 12.065 ( 2.382 -0.000 4.751) 5.315 12.162 ( -10.422 0.000 4.541) 11.368 12.322 ( 2.400 -0.000 0.348) 2.425 12.447 ( -2.738 0.000 1.579) 3.160 12.463 ( -5.489 0.000 -2.201) 5.914 12.532 ( -5.698 0.000 -3.613) 6.747 12.810 ( -5.509 0.000 1.619) 5.742 12.870 ( 3.703 -0.000 -3.411) 5.034 12.951 ( -3.470 0.000 5.153) 6.212 13.121 ( -5.858 0.000 -0.868) 5.922 13.189 ( -1.888 0.000 1.724) 2.556 13.279 ( -2.202 0.000 -5.291) 5.731 13.686 ( 13.115 -0.000 4.280) 13.796 13.699 ( 7.415 -0.000 -2.714) 7.896 13.945 ( 2.948 -0.000 0.973) 3.104 14.158 ( -6.870 0.000 12.550) 14.308 14.257 ( -0.542 0.000 4.153) 4.188 14.325 ( -2.945 0.000 -5.799) 6.504 14.486 ( -0.474 0.000 -2.788) 2.828 14.557 ( -10.536 0.000 -2.307) 10.785 14.651 ( -8.112 0.000 -2.703) 8.550 14.788 ( -14.308 0.000 3.175) 14.657 14.864 ( -1.675 0.000 -3.156) 3.573 14.977 ( -6.913 0.000 -7.402) 10.128 15.439 ( -4.177 0.000 -2.391) 4.813 15.542 ( 1.783 -0.000 -5.790) 6.059 15.766 ( -12.784 0.000 5.327) 13.850 15.803 ( -11.670 0.000 4.940) 12.673 17.066 ( 3.672 -0.000 -3.614) 5.152 17.115 ( -3.527 0.000 3.747) 5.146 17.809 ( 5.392 -0.000 -3.076) 6.208 17.876 ( 0.787 -0.000 -0.237) 0.822 18.975 ( 3.069 -0.000 1.246) 3.312 19.082 ( 0.276 -0.000 0.576) 0.638 21.927 ( 14.814 -0.000 -2.730) 15.063 22.245 ( -3.480 0.000 9.195) 9.832 23.240 ( -3.218 0.000 -3.654) 4.869 23.427 ( -11.583 0.000 0.168) 11.584 ======================= Grid point 250 (122/141) ======================= q-point: ( 0.50 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.263 ( 0.623 -18.113 6.211) 19.158 3.282 ( 5.112 -18.886 1.647) 19.635 3.611 ( -0.199 -2.738 17.387) 17.603 3.721 ( 14.916 -0.095 -3.074) 15.229 4.168 ( 11.744 5.130 -2.383) 13.035 4.333 ( 2.726 6.793 -2.143) 7.627 4.381 ( 7.234 -2.502 -4.232) 8.746 4.555 ( -3.209 -1.067 -6.450) 7.282 4.789 ( 9.254 -0.334 1.379) 9.362 4.903 ( -3.854 -6.460 2.563) 7.946 4.963 ( 2.557 -1.352 -3.427) 4.485 5.146 ( -1.328 4.286 -6.954) 8.276 5.286 ( 5.467 -6.294 -0.464) 8.350 5.521 ( -5.628 -8.054 -7.058) 12.098 5.891 ( 11.578 8.405 2.393) 14.506 6.116 ( -6.884 2.235 5.430) 9.048 6.300 ( 6.306 -4.057 -3.665) 8.346 6.337 ( 0.756 -4.890 -2.909) 5.740 6.465 ( 4.445 -5.241 4.843) 8.407 6.624 ( 2.873 -0.526 -3.494) 4.554 6.909 ( -7.808 -3.040 3.762) 9.185 7.030 ( -5.662 -9.561 -5.447) 12.375 7.268 ( 4.734 -1.027 1.728) 5.143 7.421 ( -6.290 -3.010 0.688) 7.007 7.716 ( 5.675 -0.103 7.664) 9.537 7.807 ( -2.941 -0.844 11.228) 11.637 7.996 ( 6.415 -1.233 4.931) 8.185 8.235 ( -7.066 -4.491 -3.016) 8.899 8.411 ( 9.267 7.661 -3.663) 12.569 8.562 ( 1.292 2.575 -7.480) 8.015 8.787 ( 10.637 1.865 1.660) 10.926 8.949 ( 0.401 6.833 -3.108) 7.517 9.258 ( 13.960 5.782 -2.979) 15.401 9.422 ( -8.738 -0.595 6.399) 10.846 9.711 ( -4.033 -5.199 8.267) 10.566 9.849 ( 5.761 -5.969 -4.034) 9.225 9.882 ( 3.096 1.614 -2.536) 4.315 10.024 ( -4.573 -3.229 -0.831) 5.660 10.100 ( -0.184 -1.978 4.447) 4.870 10.266 ( -1.192 -0.924 -7.566) 7.715 10.509 ( -6.780 2.641 5.461) 9.098 10.592 ( -2.454 -5.079 -5.301) 7.741 10.773 ( -1.568 -5.949 2.503) 6.642 10.868 ( 0.605 -0.052 -7.982) 8.005 11.070 ( 11.071 6.992 0.114) 13.094 11.289 ( -5.970 4.377 -1.356) 7.526 11.375 ( 9.008 -4.565 -1.282) 10.179 11.529 ( -5.352 -2.516 -0.023) 5.914 11.616 ( 8.912 0.882 -0.633) 8.978 11.702 ( 6.379 -0.838 -0.200) 6.436 11.823 ( 5.069 -1.977 -2.525) 5.999 11.954 ( -4.534 0.403 4.143) 6.155 12.045 ( -1.303 3.072 5.821) 6.710 12.181 ( 4.596 -5.271 4.506) 8.319 12.287 ( -3.837 2.786 -3.798) 6.075 12.382 ( -9.388 -1.986 0.718) 9.622 12.415 ( -3.165 1.153 -1.331) 3.622 12.473 ( -4.681 -0.291 -2.813) 5.468 12.847 ( 4.046 -3.419 2.119) 5.705 12.872 ( 4.958 2.446 0.843) 5.592 12.981 ( 1.706 -2.114 2.366) 3.603 13.071 ( -3.760 -1.243 -0.047) 3.960 13.191 ( 0.894 -1.775 -1.440) 2.454 13.288 ( -4.882 -5.070 -2.714) 7.544 13.717 ( 5.722 3.478 -0.617) 6.724 13.770 ( -0.198 2.590 1.197) 2.860 14.003 ( 7.948 0.451 0.308) 7.966 14.118 ( -0.590 1.515 9.223) 9.365 14.188 ( -6.420 4.007 1.435) 7.703 14.269 ( -0.322 2.351 -3.551) 4.271 14.455 ( 2.599 5.645 -0.732) 6.257 14.490 ( 1.223 2.304 -2.484) 3.602 14.542 ( -8.240 1.381 -0.198) 8.358 14.646 ( -10.783 0.805 -1.673) 10.942 14.879 ( -2.735 -4.580 -0.067) 5.335 14.988 ( -6.469 -7.545 -5.621) 11.418 15.353 ( 4.069 7.281 -1.214) 8.429 15.490 ( -8.440 5.983 -0.673) 10.367 15.655 ( 0.689 2.191 0.603) 2.374 15.734 ( -8.758 -0.441 3.086) 9.296 17.037 ( 1.094 4.650 0.042) 4.778 17.061 ( -1.711 3.470 0.364) 3.886 17.897 ( 5.506 -5.548 -2.600) 8.237 17.945 ( -2.143 -7.102 0.085) 7.419 18.974 ( 3.323 3.916 1.615) 5.384 19.052 ( -1.453 3.180 -0.061) 3.497 22.067 ( 14.411 -0.320 -2.020) 14.555 22.222 ( -7.841 -2.139 6.168) 10.203 23.178 ( 2.773 4.990 -1.594) 5.927 23.325 ( -10.883 0.288 -0.719) 10.911 ======================= Grid point 251 (123/141) ======================= q-point: (-0.40 -0.60 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.515 ( -11.631 -8.969 12.184) 19.084 3.656 ( -2.427 -18.118 0.233) 18.281 3.779 ( 6.808 -10.327 4.947) 13.322 3.820 ( 3.207 -6.435 0.656) 7.220 4.127 ( -9.017 6.524 4.050) 11.844 4.265 ( 17.542 4.795 -6.359) 19.265 4.344 ( -5.196 7.578 0.323) 9.193 4.496 ( 3.035 5.452 -11.939) 13.471 4.857 ( -1.410 -0.991 1.085) 2.036 4.901 ( 1.061 2.034 -2.441) 3.350 5.044 ( -3.522 -11.582 3.919) 12.724 5.172 ( -1.351 -9.274 -7.220) 11.831 5.483 ( -4.391 -9.169 5.089) 11.369 5.611 ( 0.529 -10.118 -5.214) 11.395 5.878 ( 7.190 8.772 3.001) 11.733 5.929 ( -1.995 7.060 -2.086) 7.627 6.395 ( -5.592 -5.679 2.398) 8.323 6.475 ( 8.314 -8.015 -6.124) 13.072 6.596 ( -3.365 -3.552 1.478) 5.111 6.645 ( 2.103 0.268 -2.844) 3.547 6.946 ( -0.585 -6.855 11.266) 13.200 7.146 ( -1.632 -7.082 -7.678) 10.572 7.406 ( 1.829 -9.294 1.357) 9.569 7.455 ( -3.626 -9.390 -2.411) 10.350 7.670 ( -3.143 5.056 13.828) 15.055 7.867 ( 5.772 -0.025 -3.220) 6.609 8.121 ( 4.776 -2.875 6.565) 8.612 8.180 ( -2.883 6.174 -0.383) 6.824 8.347 ( 0.369 7.861 -0.574) 7.891 8.468 ( -0.891 -0.985 -8.547) 8.649 8.759 ( -1.935 8.569 -0.492) 8.798 8.824 ( 1.312 1.878 -5.912) 6.340 9.334 ( -8.784 -5.115 9.606) 13.986 9.460 ( 7.081 -4.672 -2.011) 8.718 9.752 ( 3.332 -0.909 4.442) 5.627 9.848 ( -0.356 3.017 -3.496) 4.631 9.963 ( 6.441 0.064 3.730) 7.443 10.025 ( -11.107 -4.622 -1.626) 12.139 10.140 ( 2.247 -1.584 3.917) 4.786 10.265 ( -0.064 0.518 -7.454) 7.472 10.441 ( -1.147 0.978 8.571) 8.702 10.636 ( 0.835 -0.161 -9.855) 9.892 10.882 ( -1.677 -6.732 1.753) 7.156 10.915 ( 0.417 -3.888 -1.550) 4.206 11.094 ( 8.932 -0.303 2.478) 9.274 11.184 ( -8.491 -4.777 -5.932) 11.407 11.415 ( -0.363 4.072 1.059) 4.223 11.444 ( -0.646 1.768 -1.610) 2.477 11.670 ( -2.929 2.920 3.552) 5.452 11.743 ( 2.098 2.332 -3.473) 4.680 11.881 ( -9.850 -3.719 2.694) 10.868 11.927 ( 8.255 -2.935 -1.183) 8.840 12.036 ( 5.335 5.502 4.963) 9.130 12.138 ( -2.783 6.187 -4.541) 8.164 12.304 ( -1.768 -1.560 2.165) 3.202 12.375 ( 1.007 -1.967 -4.032) 4.598 12.433 ( -0.288 -5.880 2.355) 6.341 12.463 ( -0.662 -3.912 -0.543) 4.005 12.880 ( 1.050 1.743 2.387) 3.137 12.910 ( 0.740 -0.281 0.359) 0.869 13.069 ( 6.899 -2.889 1.271) 7.587 13.095 ( -3.883 -3.678 -0.403) 5.364 13.295 ( 5.580 -6.517 -0.305) 8.585 13.307 ( -6.660 -3.773 -0.622) 7.679 13.663 ( 0.456 5.453 1.414) 5.652 13.710 ( 0.398 0.503 -2.655) 2.731 13.971 ( -3.259 3.701 6.861) 8.449 14.064 ( -1.406 2.629 -2.023) 3.603 14.173 ( 4.731 2.133 0.914) 5.270 14.267 ( 3.552 -1.049 -5.537) 6.661 14.338 ( 2.341 9.304 3.508) 10.215 14.391 ( -4.899 7.315 -0.767) 8.837 14.493 ( -1.658 1.251 2.044) 2.914 14.598 ( 3.282 -0.680 -7.133) 7.881 14.945 ( -1.899 -4.722 4.944) 7.095 15.044 ( -4.504 -6.421 -4.135) 8.867 15.281 ( -1.053 6.639 -0.203) 6.725 15.294 ( 2.104 7.137 -1.163) 7.531 15.617 ( -0.968 5.132 3.264) 6.159 15.675 ( 1.947 1.988 -2.182) 3.537 16.974 ( -1.337 1.635 1.166) 2.413 17.000 ( 1.216 2.613 -1.392) 3.200 18.038 ( -5.576 -7.789 1.018) 9.633 18.070 ( 5.140 -8.421 -1.945) 10.056 18.919 ( 2.865 6.834 1.728) 7.609 18.943 ( -2.641 6.927 -0.566) 7.435 22.179 ( -11.423 -2.707 2.387) 11.980 22.201 ( 13.247 0.673 0.500) 13.273 23.159 ( 7.318 4.028 1.019) 8.415 23.199 ( -8.339 1.206 -2.974) 8.935 ======================= Grid point 252 (124/141) ======================= q-point: (-0.30 -0.60 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.431 ( -17.522 1.254 3.084) 17.836 3.577 ( -17.000 13.915 -0.170) 21.970 3.859 ( -13.651 0.244 6.168) 14.981 3.910 ( 1.163 -2.474 -0.245) 2.744 4.099 ( -7.687 4.330 4.400) 9.858 4.241 ( 0.101 -11.824 -4.760) 12.747 4.392 ( 19.444 8.613 -3.270) 21.516 4.435 ( 10.696 1.235 -2.009) 10.953 4.848 ( -4.377 -2.781 -4.018) 6.560 4.931 ( 6.020 -0.681 0.423) 6.073 5.183 ( -5.262 -6.621 4.202) 9.444 5.265 ( -5.896 -6.386 -3.290) 9.294 5.597 ( -11.570 1.924 2.387) 11.970 5.613 ( -7.963 -11.096 8.599) 16.139 5.830 ( 9.344 1.138 1.701) 9.565 6.004 ( 10.468 -5.908 -10.377) 15.880 6.415 ( -11.243 -2.794 1.177) 11.644 6.504 ( -7.108 -3.133 1.320) 7.879 6.700 ( 4.621 -1.189 -1.238) 4.929 6.719 ( 6.649 -9.861 -6.800) 13.700 7.093 ( 1.135 -3.604 8.580) 9.375 7.190 ( -1.869 -4.847 -5.264) 7.396 7.451 ( -7.511 1.708 5.731) 9.601 7.616 ( -2.601 -7.836 -0.525) 8.273 7.677 ( 1.510 -4.549 6.534) 8.104 7.846 ( -3.418 7.596 -7.345) 11.106 8.020 ( 3.909 10.473 0.823) 11.209 8.057 ( 1.473 7.304 -8.545) 11.337 8.298 ( 1.970 -0.282 10.055) 10.250 8.508 ( 4.203 1.100 -10.267) 11.149 8.675 ( -3.635 -6.893 7.867) 11.073 8.900 ( 5.213 -7.325 -7.007) 11.399 9.303 ( -20.589 -6.864 5.264) 22.333 9.535 ( -0.559 -0.326 6.214) 6.248 9.754 ( 0.748 6.073 -1.797) 6.378 9.792 ( -9.122 -0.054 -4.432) 10.142 9.970 ( -1.840 4.340 1.172) 4.857 10.026 ( 11.776 -0.726 3.344) 12.263 10.207 ( 0.886 3.519 -6.697) 7.617 10.231 ( 6.443 -2.488 2.541) 7.360 10.477 ( 2.381 -1.521 7.782) 8.279 10.591 ( -1.656 0.625 -7.032) 7.251 10.899 ( -5.680 0.622 -0.131) 5.715 10.973 ( 2.714 -2.329 0.541) 3.617 11.211 ( -0.114 -0.513 2.162) 2.225 11.303 ( -0.507 -11.540 -6.325) 13.169 11.376 ( -0.668 -0.300 -0.088) 0.738 11.418 ( 1.991 -2.667 1.851) 3.808 11.569 ( -6.118 1.192 2.721) 6.801 11.692 ( -2.459 1.715 -2.973) 4.222 11.869 ( -7.327 -2.174 1.637) 7.816 11.918 ( -2.938 4.854 0.446) 5.692 12.046 ( 6.208 -0.917 1.839) 6.539 12.061 ( 8.825 7.457 -1.262) 11.622 12.297 ( -2.690 -1.295 1.062) 3.169 12.387 ( 1.325 -0.362 -2.291) 2.671 12.533 ( -0.545 -4.733 -1.400) 4.966 12.574 ( 2.207 -4.731 1.956) 5.575 12.826 ( -3.596 3.971 2.346) 5.848 12.912 ( -1.386 -1.012 -2.374) 2.930 12.988 ( -10.486 5.281 -0.172) 11.742 13.187 ( 1.425 -1.728 3.439) 4.105 13.295 ( 1.900 -1.717 -3.333) 4.203 13.457 ( 10.474 1.258 -1.991) 10.735 13.626 ( -5.288 -4.177 4.713) 8.223 13.797 ( 5.425 -6.371 -2.629) 8.771 13.923 ( -1.656 -0.955 5.604) 5.921 14.067 ( 1.838 -0.791 1.688) 2.618 14.112 ( -5.707 6.047 -1.366) 8.427 14.172 ( 0.094 5.185 -3.816) 6.439 14.249 ( 3.900 5.469 1.947) 6.994 14.340 ( 10.823 3.597 -6.998) 13.381 14.437 ( -4.581 1.136 1.825) 5.061 14.676 ( 8.698 -1.409 -3.709) 9.561 14.993 ( -3.819 -3.139 7.517) 8.997 15.112 ( -0.368 -4.565 -2.663) 5.298 15.171 ( -1.083 2.083 -0.863) 2.501 15.269 ( 8.003 3.348 -2.028) 8.909 15.506 ( -2.393 5.906 3.023) 7.053 15.668 ( 7.650 4.598 -1.864) 9.118 16.969 ( 0.449 -0.415 2.049) 2.138 17.022 ( 2.204 -4.752 -2.765) 5.923 18.093 ( -7.500 -6.038 2.149) 9.866 18.238 ( 2.709 -6.370 -1.997) 7.204 18.737 ( -6.319 10.599 0.409) 12.346 18.856 ( 5.398 6.487 0.589) 8.460 22.086 ( -14.086 -0.897 -1.946) 14.248 22.292 ( 12.147 4.270 5.915) 14.169 23.051 ( -11.486 -0.460 -4.112) 12.209 23.285 ( 15.401 -1.715 0.419) 15.502 ======================= Grid point 253 (125/141) ======================= q-point: (-0.20 -0.60 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.024 ( -25.804 15.932 -8.479) 31.489 3.326 ( -13.626 0.729 2.843) 13.939 3.546 ( -21.092 11.503 4.844) 24.508 3.904 ( 7.325 9.925 4.926) 13.282 4.029 ( -4.862 0.147 3.065) 5.749 4.302 ( 11.388 6.681 -6.848) 14.873 4.416 ( 6.457 6.593 0.291) 9.232 4.516 ( 10.692 1.507 -2.579) 11.101 4.791 ( -5.396 3.591 2.443) 6.927 5.081 ( 4.352 -8.405 -5.678) 11.037 5.162 ( -7.771 1.857 6.682) 10.416 5.293 ( -5.484 -5.407 0.550) 7.721 5.461 ( -1.637 1.893 -0.645) 2.585 5.814 ( 0.928 -4.328 2.023) 4.867 5.902 ( 4.074 -6.778 12.233) 14.567 6.165 ( -2.801 -7.260 -4.753) 9.118 6.333 ( -5.816 -1.882 -0.962) 6.188 6.585 ( -2.604 -8.338 -0.666) 8.760 6.729 ( 2.727 3.867 -3.820) 6.081 6.857 ( 0.749 -2.656 -4.238) 5.058 7.100 ( -5.037 -3.614 -0.409) 6.213 7.308 ( 1.052 -4.272 5.500) 7.043 7.366 ( -4.430 -1.198 1.457) 4.815 7.501 ( -7.994 10.868 -2.504) 13.722 7.608 ( -3.360 8.785 0.170) 9.407 7.754 ( 0.217 8.313 1.705) 8.489 7.893 ( 4.076 1.497 -9.387) 10.343 8.027 ( 0.310 -2.224 -3.006) 3.752 8.388 ( 5.489 0.389 -1.644) 5.743 8.536 ( 4.715 -3.466 2.710) 6.449 8.868 ( 4.609 -10.221 4.747) 12.176 9.077 ( 3.889 -7.363 -5.828) 10.164 9.187 ( -12.261 1.985 5.439) 13.560 9.531 ( -8.648 -2.327 6.738) 11.207 9.624 ( 0.639 7.043 -2.534) 7.512 9.685 ( -6.910 -0.634 -1.309) 7.061 9.880 ( 0.046 4.448 2.492) 5.099 10.149 ( 2.468 2.360 -4.042) 5.291 10.165 ( 12.824 1.695 -6.496) 14.475 10.314 ( 2.423 -0.826 3.959) 4.715 10.485 ( -3.353 -0.061 2.186) 4.003 10.634 ( 4.242 -1.716 -1.181) 4.726 10.822 ( -6.152 0.688 2.805) 6.796 10.957 ( -1.452 4.808 -4.232) 6.568 11.119 ( -2.923 7.792 4.323) 9.377 11.376 ( -2.835 -2.142 -1.956) 4.056 11.432 ( 1.872 -0.507 -4.816) 5.192 11.536 ( -2.770 -9.286 4.734) 10.785 11.558 ( 0.188 -1.460 2.361) 2.782 11.674 ( -8.385 -7.818 -4.295) 12.242 11.781 ( -0.591 5.808 0.862) 5.901 11.878 ( 2.215 4.018 -1.262) 4.759 12.033 ( 5.973 1.662 2.805) 6.805 12.148 ( 1.629 -6.518 4.061) 7.850 12.311 ( -2.372 -3.373 0.307) 4.135 12.435 ( 7.281 -0.519 -0.763) 7.339 12.531 ( -6.728 1.585 -6.129) 9.238 12.620 ( -1.305 1.776 4.413) 4.933 12.694 ( -4.635 3.653 -0.352) 5.912 12.824 ( -7.291 -1.372 3.567) 8.232 12.959 ( 4.903 0.032 -5.847) 7.630 13.121 ( -5.636 5.303 3.931) 8.679 13.364 ( 10.277 1.862 -3.069) 10.886 13.516 ( 5.912 -1.067 -1.977) 6.325 13.675 ( -3.749 -3.490 1.457) 5.326 13.812 ( 1.001 6.531 3.779) 7.612 13.856 ( -5.176 7.227 0.763) 8.923 14.063 ( -1.802 -2.606 -5.309) 6.182 14.111 ( -1.557 -8.874 -6.969) 11.390 14.209 ( 5.671 2.497 5.370) 8.199 14.279 ( 4.202 -6.970 5.128) 9.620 14.354 ( 5.553 2.989 -0.105) 6.308 14.425 ( 2.595 -3.096 -4.003) 5.687 14.786 ( 7.163 -3.524 -3.354) 8.659 15.021 ( -3.901 -3.000 7.343) 8.840 15.136 ( 0.459 0.176 -1.899) 1.961 15.159 ( -0.604 0.509 -2.434) 2.559 15.355 ( 3.941 -4.606 -1.260) 6.191 15.419 ( 1.248 0.779 1.872) 2.381 15.655 ( 5.498 4.293 0.606) 7.002 16.998 ( -0.131 -2.338 2.531) 3.448 17.182 ( 7.014 -8.672 -3.222) 11.609 18.099 ( -5.963 -1.399 3.416) 7.013 18.299 ( 0.698 1.159 -3.578) 3.825 18.484 ( -9.739 8.760 0.787) 13.123 18.841 ( 6.343 1.967 0.799) 6.688 21.939 ( -13.319 1.577 -5.340) 14.436 22.303 ( 9.820 8.748 12.602) 18.215 22.991 ( -10.310 -6.251 -8.053) 14.499 23.497 ( 14.848 -4.964 0.763) 15.674 ======================= Grid point 254 (126/141) ======================= q-point: (-0.10 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.541 ( -18.630 11.918 -7.169) 23.249 3.164 ( -15.076 9.192 -2.060) 17.777 3.235 ( -7.444 1.258 -2.690) 8.014 3.801 ( 14.684 14.750 10.910) 23.499 3.954 ( -2.955 4.795 7.641) 9.492 4.264 ( 13.724 10.861 -3.834) 17.916 4.333 ( 4.673 9.296 -1.968) 10.589 4.541 ( 11.966 7.099 -5.940) 15.128 4.701 ( -7.717 -1.247 4.154) 8.852 5.039 ( -5.388 5.914 6.088) 10.053 5.155 ( -1.795 -0.880 -4.396) 4.829 5.386 ( 1.738 -5.751 1.135) 6.114 5.445 ( 2.309 2.451 1.703) 3.774 5.812 ( 9.203 7.665 -1.351) 12.052 6.064 ( -3.847 -4.519 4.184) 7.262 6.236 ( -3.224 -8.611 4.274) 10.139 6.316 ( -3.143 3.377 9.021) 10.132 6.593 ( -6.158 4.008 -8.849) 11.502 6.691 ( 1.083 -4.736 -6.268) 7.931 6.873 ( 2.524 3.059 0.315) 3.978 7.096 ( -3.327 -0.416 1.944) 3.876 7.246 ( -8.941 8.864 5.207) 13.624 7.285 ( -3.818 3.642 1.808) 5.578 7.350 ( -1.661 4.124 -8.709) 9.778 7.535 ( 2.451 0.721 1.777) 3.112 7.682 ( 5.787 -5.147 -6.505) 10.114 7.884 ( -0.337 0.322 -8.189) 8.202 8.087 ( 0.699 -1.343 -1.512) 2.140 8.354 ( 10.430 11.109 -4.580) 15.911 8.633 ( 0.663 -0.974 6.802) 6.903 8.977 ( -3.838 4.456 2.598) 6.430 9.079 ( -0.897 -5.527 -1.223) 5.731 9.233 ( 7.217 -2.420 5.226) 9.233 9.447 ( -4.778 1.625 2.022) 5.437 9.595 ( -2.674 -0.266 -3.125) 4.122 9.680 ( -4.778 -3.876 3.529) 7.093 9.837 ( 1.405 1.712 -0.152) 2.221 10.136 ( 14.460 4.781 -5.001) 16.030 10.219 ( 1.868 0.707 -3.207) 3.777 10.327 ( 1.453 1.972 1.573) 2.911 10.499 ( 1.420 -2.957 4.144) 5.285 10.640 ( -1.827 0.935 -0.268) 2.070 10.752 ( -8.099 -0.313 0.075) 8.105 10.816 ( -7.725 12.484 -1.526) 14.760 10.948 ( 6.776 6.478 -0.055) 9.375 11.352 ( -1.360 6.555 -2.192) 7.044 11.397 ( 1.750 0.972 -1.827) 2.710 11.586 ( -6.845 0.594 -1.950) 7.142 11.636 ( -4.168 -3.832 0.605) 5.694 11.691 ( -2.655 -6.490 7.626) 10.360 11.756 ( 6.047 2.574 0.391) 6.584 11.846 ( 1.821 -1.378 -0.501) 2.338 12.089 ( 2.899 -0.269 2.271) 3.693 12.268 ( -1.789 -2.900 0.795) 3.499 12.349 ( -0.285 -0.334 -1.307) 1.378 12.410 ( -9.045 -5.547 -3.819) 11.277 12.491 ( -1.347 1.735 -0.253) 2.211 12.574 ( 6.479 -0.925 -1.737) 6.771 12.678 ( -0.566 -1.707 6.431) 6.678 12.859 ( -1.909 -4.011 1.155) 4.590 12.973 ( 2.964 1.337 -6.719) 7.464 12.993 ( -3.070 3.570 1.535) 4.953 13.418 ( 8.367 1.836 -0.750) 8.598 13.509 ( 0.606 8.193 -0.947) 8.270 13.651 ( -2.063 -0.427 -0.294) 2.127 13.707 ( 1.728 5.177 2.890) 6.176 13.796 ( -0.841 -0.580 0.314) 1.068 14.033 ( -0.490 1.867 -3.536) 4.029 14.227 ( 0.129 -0.594 6.634) 6.661 14.261 ( -2.927 -9.828 -9.684) 14.105 14.345 ( 7.325 0.886 3.484) 8.159 14.410 ( -5.430 -6.657 -2.627) 8.984 14.627 ( 2.595 -13.645 4.399) 14.569 14.909 ( 2.037 -5.798 -4.074) 7.373 14.984 ( 1.386 7.229 3.488) 8.146 15.117 ( -1.716 0.651 -1.882) 2.629 15.175 ( -3.153 -6.234 1.434) 7.132 15.443 ( -5.008 -12.170 -3.202) 13.544 15.548 ( 1.430 -5.263 0.281) 5.461 15.650 ( 4.175 -0.043 4.369) 6.043 17.048 ( 0.281 -3.045 -0.232) 3.067 17.391 ( 7.914 -6.160 -0.969) 10.075 18.024 ( -2.026 6.507 4.554) 8.197 18.140 ( 0.013 14.023 -2.403) 14.227 18.392 ( -9.350 -7.801 -1.719) 12.298 18.891 ( 4.592 -0.413 0.837) 4.686 21.776 ( -8.928 3.156 -6.956) 11.750 22.254 ( 8.581 9.892 16.836) 21.329 23.016 ( -9.671 -9.391 -10.092) 16.839 23.706 ( 8.989 -5.276 0.627) 10.442 ======================= Grid point 260 (127/141) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.055 ( -9.172 0.000 10.112) 13.652 3.174 ( 5.205 -0.000 -0.151) 5.208 3.546 ( -11.417 0.000 21.799) 24.608 3.893 ( 15.524 -0.000 -11.777) 19.486 4.198 ( -0.911 0.000 1.971) 2.172 4.275 ( -2.348 0.000 -1.938) 3.044 4.508 ( -3.333 0.000 -3.193) 4.616 4.558 ( 0.494 -0.000 -7.301) 7.318 4.837 ( 3.457 -0.000 -2.436) 4.229 4.842 ( 3.921 -0.000 -0.404) 3.942 5.070 ( 11.296 -0.000 0.056) 11.296 5.105 ( -10.653 0.000 0.177) 10.655 5.270 ( -0.147 0.000 -3.603) 3.606 5.335 ( -6.810 0.000 -7.598) 10.203 6.061 ( 5.434 -0.000 2.723) 6.078 6.072 ( -7.835 0.000 3.509) 8.585 6.265 ( -0.293 0.000 0.765) 0.819 6.340 ( 6.881 -0.000 -8.791) 11.163 6.471 ( 4.425 -0.000 6.886) 8.185 6.620 ( -1.186 0.000 -7.666) 7.757 6.770 ( -13.756 0.000 9.366) 16.642 6.931 ( 5.956 -0.000 -5.546) 8.138 7.331 ( 6.310 -0.000 3.000) 6.987 7.351 ( -4.844 0.000 1.610) 5.105 7.737 ( -10.528 0.000 14.411) 17.847 7.820 ( 11.767 -0.000 2.731) 12.080 8.048 ( 4.626 -0.000 3.637) 5.884 8.124 ( -5.949 0.000 -3.074) 6.697 8.538 ( 0.341 -0.000 -6.641) 6.649 8.600 ( 5.213 -0.000 -9.630) 10.951 8.923 ( 8.543 -0.000 2.251) 8.835 8.933 ( -12.092 0.000 1.602) 12.198 9.353 ( -9.749 0.000 4.954) 10.935 9.454 ( 12.849 -0.000 -3.625) 13.350 9.593 ( -5.256 0.000 10.698) 11.919 9.817 ( 4.547 -0.000 -8.770) 9.879 9.942 ( 3.625 -0.000 -0.061) 3.625 9.945 ( -7.283 0.000 -1.630) 7.463 10.080 ( -0.936 0.000 6.239) 6.309 10.234 ( -0.301 0.000 -7.750) 7.755 10.469 ( -4.868 0.000 3.949) 6.268 10.542 ( 4.622 -0.000 -2.983) 5.501 10.713 ( -1.344 0.000 4.795) 4.980 10.845 ( -0.768 0.000 -8.566) 8.601 11.285 ( 2.347 -0.000 0.509) 2.401 11.309 ( -4.191 0.000 -1.855) 4.583 11.384 ( 11.194 -0.000 0.090) 11.194 11.402 ( -9.236 0.000 -1.528) 9.362 11.665 ( -8.307 0.000 0.973) 8.364 11.677 ( 7.360 -0.000 -0.458) 7.374 11.888 ( -13.553 0.000 2.830) 13.845 11.929 ( 13.133 -0.000 -0.533) 13.144 12.121 ( 6.594 -0.000 6.667) 9.377 12.171 ( 3.206 -0.000 8.340) 8.935 12.267 ( -2.204 0.000 -7.394) 7.715 12.286 ( -5.637 0.000 -2.139) 6.030 12.411 ( 1.526 -0.000 -0.683) 1.672 12.423 ( -3.285 0.000 -2.406) 4.072 12.861 ( 3.356 -0.000 2.594) 4.242 12.908 ( -2.762 0.000 -2.747) 3.896 12.974 ( 3.828 -0.000 4.015) 5.547 13.058 ( 2.503 -0.000 -2.357) 3.438 13.150 ( -1.631 0.000 2.682) 3.140 13.225 ( -0.833 0.000 -5.824) 5.883 13.776 ( -4.311 0.000 1.679) 4.627 13.802 ( 3.612 -0.000 -0.832) 3.707 14.113 ( -6.602 0.000 9.525) 11.589 14.137 ( 13.270 -0.000 -1.129) 13.318 14.146 ( -5.111 0.000 0.372) 5.125 14.303 ( 5.337 -0.000 -7.181) 8.947 14.489 ( -6.088 0.000 1.506) 6.272 14.494 ( -3.211 0.000 2.021) 3.794 14.552 ( -5.194 0.000 -0.283) 5.202 14.592 ( 10.963 -0.000 -3.492) 11.506 14.816 ( -1.208 0.000 0.528) 1.318 14.855 ( -3.046 0.000 -3.676) 4.774 15.454 ( 2.506 -0.000 1.278) 2.813 15.487 ( -6.064 0.000 -1.369) 6.216 15.662 ( -1.664 0.000 2.683) 3.158 15.708 ( 6.163 -0.000 -1.886) 6.445 17.051 ( -4.395 0.000 4.380) 6.205 17.121 ( 2.992 -0.000 -2.405) 3.839 17.861 ( -2.173 0.000 -0.756) 2.301 17.873 ( 2.352 -0.000 -2.105) 3.157 19.037 ( 2.498 -0.000 1.816) 3.088 19.062 ( -2.292 0.000 -0.563) 2.360 22.125 ( -10.477 0.000 3.690) 11.107 22.195 ( 13.826 -0.000 -2.919) 14.131 23.247 ( -7.078 0.000 0.202) 7.081 23.252 ( 4.851 -0.000 -0.192) 4.855 ======================= Grid point 261 (128/141) ======================= q-point: (-0.40 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.141 ( -13.497 -19.238 9.589) 25.381 3.300 ( -12.208 -10.468 9.429) 18.642 3.531 ( -4.646 -10.400 8.504) 14.215 3.961 ( 7.817 1.726 -9.263) 12.243 4.106 ( -18.355 7.787 1.375) 19.986 4.315 ( 3.597 -7.080 1.109) 8.018 4.390 ( -8.270 4.478 -6.089) 11.204 4.581 ( 0.276 -4.034 -7.665) 8.666 4.817 ( 0.288 1.175 -1.043) 1.598 4.904 ( -7.115 0.453 1.118) 7.216 4.981 ( 5.749 -2.244 -0.634) 6.204 5.053 ( 0.213 5.989 -3.169) 6.779 5.276 ( -12.015 -6.515 1.412) 13.740 5.461 ( 4.459 -10.511 -2.518) 11.692 5.932 ( -10.514 5.637 -0.805) 11.957 6.096 ( 3.201 -0.178 5.120) 6.041 6.281 ( 0.365 -0.756 -2.830) 2.952 6.423 ( 4.235 -5.340 -7.852) 10.398 6.497 ( -7.962 -0.213 3.963) 8.896 6.600 ( -2.356 -4.773 -3.707) 6.487 6.811 ( 0.360 -8.921 9.222) 12.836 7.039 ( 5.907 -4.938 -2.830) 8.203 7.280 ( -5.102 0.889 1.228) 5.322 7.427 ( 7.260 -2.038 0.004) 7.540 7.681 ( -7.196 -1.442 11.064) 13.277 7.929 ( 6.255 0.215 0.157) 6.261 8.054 ( -6.343 -1.909 1.099) 6.715 8.162 ( 5.928 -4.885 2.311) 8.022 8.461 ( -4.090 4.068 -7.387) 9.372 8.535 ( 1.590 8.894 -6.339) 11.037 8.811 ( -10.163 -1.153 0.002) 10.228 8.923 ( -0.300 7.340 -1.597) 7.518 9.144 ( -17.426 5.353 6.736) 19.435 9.527 ( 6.311 2.215 0.575) 6.713 9.709 ( 2.743 -10.521 4.391) 11.726 9.863 ( -0.247 -0.225 -3.996) 4.010 9.876 ( -6.766 -1.069 -2.599) 7.327 10.008 ( 5.853 -4.511 2.402) 7.770 10.098 ( -1.448 -1.940 6.040) 6.507 10.236 ( -0.385 -1.278 -7.229) 7.351 10.465 ( 2.085 -0.240 4.236) 4.728 10.633 ( 6.973 -2.139 -4.110) 8.372 10.748 ( -2.239 -4.623 4.008) 6.515 10.834 ( -2.812 -2.102 -3.663) 5.073 11.097 ( -9.711 5.181 -2.894) 11.380 11.277 ( 6.241 7.314 -0.095) 9.615 11.360 ( -7.977 -4.983 -0.131) 9.406 11.523 ( 7.641 -0.618 0.379) 7.676 11.595 ( -11.712 -2.951 1.519) 12.174 11.689 ( -11.333 3.732 1.048) 11.977 11.779 ( -3.810 -2.795 1.142) 4.861 12.019 ( 6.232 -0.860 -1.270) 6.418 12.158 ( 3.907 3.464 2.030) 5.602 12.180 ( -1.061 -0.474 -2.809) 3.040 12.259 ( 1.336 1.776 -0.101) 2.225 12.336 ( 7.605 -4.836 3.611) 9.709 12.400 ( -0.732 0.306 -0.770) 1.106 12.453 ( 5.738 -0.478 0.065) 5.758 12.864 ( -5.337 -0.988 0.504) 5.451 12.893 ( -1.009 -0.482 -1.163) 1.613 13.052 ( 5.951 -2.739 0.445) 6.566 13.085 ( 3.167 -0.155 -4.604) 5.590 13.165 ( -3.188 -1.708 1.640) 3.971 13.264 ( 4.328 -4.999 -1.476) 6.775 13.690 ( -7.198 2.091 1.150) 7.583 13.792 ( 1.385 3.184 -0.486) 3.506 14.010 ( -7.100 1.890 0.511) 7.365 14.105 ( 2.962 4.268 6.465) 8.294 14.266 ( 5.976 -0.529 -2.675) 6.568 14.306 ( 5.104 4.067 -6.104) 8.936 14.400 ( -5.335 4.266 2.384) 7.235 14.455 ( 2.507 1.446 0.716) 2.981 14.548 ( 4.476 1.205 -0.203) 4.640 14.685 ( 11.871 2.599 -4.639) 13.007 14.874 ( 1.868 -4.227 4.503) 6.452 14.891 ( -1.272 -6.955 -1.052) 7.148 15.347 ( -4.408 6.975 -0.019) 8.251 15.469 ( 4.975 2.819 0.466) 5.737 15.670 ( 3.941 3.361 -0.044) 5.180 15.771 ( 9.850 1.178 -0.884) 9.960 16.986 ( -3.833 2.787 3.085) 5.654 17.099 ( 2.793 4.686 -1.515) 5.662 17.870 ( -5.520 -4.749 -0.059) 7.282 17.963 ( 2.088 -7.670 -1.660) 8.121 19.000 ( -3.490 4.108 -0.652) 5.429 19.035 ( 1.982 2.979 1.484) 3.874 22.031 ( -12.479 -1.330 1.504) 12.639 22.324 ( 12.659 -0.661 -2.951) 13.015 23.155 ( -6.452 3.861 0.242) 7.523 23.306 ( 10.001 1.139 1.024) 10.118 ======================= Grid point 262 (129/141) ======================= q-point: (-0.30 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.209 ( -22.728 -4.943 12.847) 26.571 3.415 ( -20.216 -22.286 7.724) 31.065 3.615 ( -25.829 15.261 2.281) 30.087 3.825 ( -2.510 -15.475 -5.105) 16.487 4.046 ( -1.785 -3.314 -6.694) 7.680 4.187 ( -3.120 5.499 0.726) 6.364 4.465 ( 2.029 -5.810 -2.231) 6.546 4.596 ( -2.428 -2.894 -5.319) 6.524 4.818 ( 7.336 4.888 -3.098) 9.344 4.942 ( -8.376 -9.096 8.842) 15.201 5.002 ( 3.702 -1.106 -3.172) 4.999 5.066 ( -7.723 -7.534 -3.658) 11.392 5.292 ( -11.326 -9.233 8.050) 16.683 5.575 ( -6.484 0.217 0.723) 6.528 5.807 ( 1.520 -3.163 -4.930) 6.052 6.142 ( 4.471 -0.035 1.956) 4.881 6.276 ( -1.017 -0.012 -4.690) 4.799 6.390 ( -12.938 -0.451 2.179) 13.128 6.583 ( 3.368 -10.278 -6.684) 12.714 6.680 ( 0.501 -5.099 -1.678) 5.391 7.006 ( 0.937 -9.740 7.773) 12.497 7.124 ( 0.750 0.408 -1.078) 1.375 7.274 ( -6.573 -7.878 -0.800) 10.291 7.518 ( -1.546 -1.648 8.773) 9.059 7.689 ( 3.464 -1.583 1.729) 4.182 7.903 ( -4.177 3.644 -4.408) 7.082 8.072 ( -1.542 -4.850 -2.133) 5.518 8.174 ( -4.076 7.547 -3.467) 9.252 8.408 ( 5.297 5.962 5.863) 9.899 8.495 ( 6.691 -7.455 -4.763) 11.092 8.649 ( -7.492 10.021 -0.500) 12.523 8.819 ( -5.462 -3.143 0.236) 6.306 8.980 ( -16.220 -5.166 0.747) 17.039 9.532 ( 0.047 0.400 2.457) 2.490 9.744 ( -7.175 3.285 1.224) 7.986 9.827 ( -0.896 3.222 -2.822) 4.376 9.952 ( 2.932 -5.841 -2.510) 7.001 10.112 ( 2.030 -0.223 8.244) 8.493 10.191 ( 1.499 -6.893 2.423) 7.459 10.232 ( 1.964 -1.637 -4.849) 5.482 10.509 ( 3.867 0.097 3.988) 5.556 10.611 ( -1.409 4.261 -5.422) 7.038 10.781 ( -6.638 -4.318 0.050) 7.919 10.947 ( -0.238 -13.149 0.853) 13.179 11.013 ( -4.371 0.414 -3.174) 5.417 11.246 ( -1.812 -2.773 1.997) 3.868 11.390 ( 1.794 -1.845 -0.979) 2.753 11.472 ( -5.837 8.367 0.715) 10.227 11.527 ( -7.675 -0.205 2.229) 7.995 11.597 ( -3.308 -3.404 -0.934) 4.838 11.778 ( -3.802 -1.970 4.296) 6.066 12.030 ( -0.449 2.381 -2.452) 3.447 12.143 ( 6.764 4.575 1.313) 8.271 12.190 ( -3.046 1.502 -0.996) 3.539 12.255 ( 7.147 0.162 -2.309) 7.512 12.411 ( 3.709 -0.819 0.282) 3.809 12.479 ( 3.843 -4.018 2.899) 6.270 12.513 ( 1.887 -1.678 1.004) 2.717 12.811 ( -9.442 -0.599 0.044) 9.461 12.865 ( -0.856 3.298 -1.028) 3.559 13.019 ( -2.486 4.905 -4.007) 6.804 13.168 ( 0.163 -1.646 0.341) 1.689 13.196 ( 2.278 -7.344 -3.181) 8.321 13.434 ( 3.091 -8.389 2.138) 9.193 13.659 ( -2.970 -4.939 -0.338) 5.773 13.728 ( 4.201 6.798 -1.343) 8.103 13.946 ( -5.875 -1.110 0.988) 6.060 14.085 ( 4.346 4.119 9.114) 10.905 14.193 ( -2.004 6.454 -1.774) 6.987 14.285 ( 2.877 5.992 -5.228) 8.457 14.328 ( 5.188 2.245 -1.545) 5.860 14.471 ( 10.288 5.185 -3.691) 12.097 14.570 ( 8.148 3.715 -1.566) 9.091 14.731 ( 6.438 0.217 -1.284) 6.568 14.935 ( -1.236 -2.657 5.348) 6.098 15.046 ( 5.037 -5.928 2.720) 8.241 15.219 ( 0.434 4.974 -1.608) 5.245 15.468 ( 10.542 6.656 -0.018) 12.468 15.609 ( 2.925 7.044 0.293) 7.632 15.841 ( 12.002 4.004 -0.073) 12.653 16.947 ( -0.641 -1.791 0.174) 1.911 17.044 ( 2.655 3.970 -0.161) 4.779 17.898 ( -8.937 -6.701 0.915) 11.207 18.121 ( 0.553 -8.774 -1.139) 8.865 18.853 ( -4.545 8.574 -0.493) 9.717 18.989 ( 1.987 4.741 0.926) 5.224 21.928 ( -13.922 -1.347 -0.395) 13.992 22.445 ( 11.159 -0.317 -1.069) 11.215 23.000 ( -6.908 6.111 -0.870) 9.264 23.422 ( 14.644 -0.325 1.491) 14.724 ======================= Grid point 263 (130/141) ======================= q-point: (-0.20 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.019 ( -25.171 12.587 -5.103) 28.602 3.135 ( -23.570 -1.133 11.468) 26.237 3.391 ( -29.123 -1.562 4.687) 29.539 3.909 ( -6.422 -5.179 2.668) 8.671 4.090 ( 2.505 -4.856 -5.577) 7.807 4.261 ( 2.604 -4.174 -2.249) 5.409 4.479 ( -4.274 0.308 1.483) 4.535 4.705 ( -6.219 -10.607 -9.289) 15.410 4.776 ( 13.393 8.136 -3.374) 16.030 4.985 ( -8.083 -2.834 5.091) 9.964 5.019 ( -10.264 -6.068 -0.466) 11.932 5.161 ( 1.145 -6.932 1.796) 7.252 5.383 ( -12.385 -10.261 10.511) 19.213 5.534 ( -1.068 -7.254 4.421) 8.562 5.926 ( 0.803 -4.290 1.456) 4.600 6.197 ( 0.131 -4.018 -4.296) 5.883 6.225 ( 3.956 4.962 -6.776) 9.284 6.385 ( -5.057 -10.484 0.518) 11.651 6.749 ( 0.386 -6.736 -2.991) 7.380 6.779 ( 3.044 -4.315 -4.392) 6.868 7.045 ( -4.197 4.563 -0.610) 6.230 7.172 ( -3.390 -10.876 3.654) 11.964 7.317 ( -7.254 -1.754 3.010) 8.047 7.506 ( -7.199 0.215 4.256) 8.366 7.703 ( -2.817 5.601 -1.284) 6.399 7.778 ( -2.304 0.016 3.727) 4.382 7.955 ( -3.241 6.677 -10.210) 12.623 8.147 ( 6.899 9.316 -6.077) 13.089 8.398 ( 1.421 -2.259 11.836) 12.133 8.484 ( -4.936 -5.532 -4.304) 8.573 8.774 ( 10.315 -9.424 0.608) 13.985 8.839 ( -14.182 -11.208 -0.204) 18.078 9.054 ( 3.768 -9.213 -0.415) 9.962 9.528 ( -0.560 2.422 3.084) 3.961 9.586 ( -8.533 3.681 -1.529) 9.418 9.744 ( -1.245 4.529 -1.309) 4.876 9.947 ( -1.872 3.190 0.460) 3.727 10.147 ( 0.524 -1.577 0.665) 1.789 10.236 ( -1.860 -3.067 -1.925) 4.070 10.358 ( 8.694 -0.353 3.601) 9.417 10.485 ( -0.294 3.107 -0.175) 3.125 10.634 ( 2.603 -3.028 -0.757) 4.064 10.769 ( -5.810 -2.469 0.931) 6.381 10.946 ( -7.272 -1.059 -6.447) 9.776 11.176 ( -0.164 -11.944 3.478) 12.441 11.231 ( -15.079 4.358 -0.980) 15.727 11.295 ( -4.902 -3.208 1.055) 5.953 11.460 ( -1.923 -2.238 -0.691) 3.030 11.481 ( 0.829 -0.450 1.684) 1.930 11.631 ( 3.001 -1.462 -0.212) 3.345 11.822 ( -0.426 -3.583 6.633) 7.551 12.000 ( 3.708 1.964 0.436) 4.219 12.074 ( 2.711 9.315 -0.942) 9.747 12.126 ( -3.978 -1.401 2.628) 4.969 12.308 ( 4.290 2.248 -1.126) 4.972 12.498 ( 8.751 -1.682 -0.261) 8.915 12.528 ( -2.288 1.462 -2.705) 3.833 12.559 ( -0.529 -3.324 1.214) 3.577 12.706 ( -7.312 0.983 -1.521) 7.533 12.758 ( -4.851 2.976 3.793) 6.839 12.972 ( 3.053 1.104 -4.478) 5.531 13.167 ( -1.405 1.729 -0.726) 2.343 13.335 ( 0.671 -7.580 -3.856) 8.531 13.531 ( -5.273 -2.427 3.210) 6.634 13.667 ( 9.423 3.218 -1.815) 10.121 13.793 ( -6.915 -10.853 -4.153) 13.523 13.900 ( -2.953 0.284 1.546) 3.346 14.017 ( 0.905 10.353 7.297) 12.698 14.100 ( 2.031 2.997 -0.841) 3.716 14.228 ( 4.026 3.431 -1.444) 5.483 14.365 ( 10.621 2.500 -0.731) 10.936 14.459 ( 4.743 3.608 -1.590) 6.168 14.581 ( 12.048 5.060 -6.592) 14.636 14.809 ( 6.660 -1.548 -0.080) 6.838 14.960 ( -1.582 -0.881 6.760) 6.999 15.138 ( 2.707 0.713 -0.202) 2.807 15.194 ( 3.332 0.715 0.499) 3.444 15.438 ( 8.798 7.742 -2.357) 11.954 15.534 ( 6.035 5.934 1.764) 8.646 15.840 ( 9.092 8.335 1.168) 12.389 16.996 ( 1.385 0.282 2.610) 2.968 17.091 ( 6.142 -8.157 -2.908) 10.617 17.930 ( -9.819 -7.955 1.685) 12.749 18.228 ( -3.279 -4.845 -1.555) 6.054 18.633 ( -3.785 12.219 -0.054) 12.792 18.935 ( 2.300 3.674 0.644) 4.382 21.809 ( -13.581 -0.649 -1.709) 13.703 22.533 ( 10.162 3.157 5.280) 11.879 22.846 ( -6.953 2.553 -5.865) 9.448 23.588 ( 14.633 -1.725 1.164) 14.780 ======================= Grid point 264 (131/141) ======================= q-point: (-0.10 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.538 ( -20.233 11.380 -4.837) 23.712 3.053 ( -16.494 -3.773 1.793) 17.015 3.139 ( -15.574 -0.386 4.884) 16.326 3.941 ( -4.101 -3.131 6.400) 8.221 4.124 ( 7.910 6.839 5.644) 11.883 4.319 ( -2.749 -6.137 -12.507) 14.201 4.416 ( -4.974 1.673 -4.172) 6.704 4.659 ( -2.959 5.215 -0.784) 6.047 4.790 ( 2.103 2.773 -3.961) 5.273 4.954 ( -9.485 -4.030 3.989) 11.051 5.059 ( -2.702 -5.522 3.425) 7.038 5.320 ( 5.205 -6.405 1.773) 8.442 5.442 ( -3.159 -5.084 3.956) 7.175 5.742 ( -4.158 -13.958 9.612) 17.451 5.969 ( -3.812 -4.395 2.831) 6.470 6.222 ( 4.827 -1.640 -0.772) 5.156 6.263 ( 3.208 -1.351 -4.663) 5.819 6.555 ( 2.008 -7.864 -4.975) 9.520 6.715 ( -3.859 9.010 -0.830) 9.837 6.858 ( 1.959 -5.573 -0.652) 5.943 6.999 ( -4.618 -4.308 -4.373) 7.681 7.252 ( -7.203 -0.881 1.130) 7.344 7.282 ( -5.185 0.583 5.619) 7.668 7.371 ( -3.292 3.137 -5.610) 7.222 7.548 ( -2.079 2.472 1.264) 3.468 7.783 ( -2.326 7.144 3.705) 8.377 7.867 ( 0.302 2.013 -7.832) 8.093 8.040 ( 2.448 -1.709 -3.567) 4.651 8.462 ( -5.638 -4.331 3.180) 7.789 8.606 ( 4.412 -5.714 -1.428) 7.359 8.912 ( -4.738 -8.200 -0.840) 9.507 9.011 ( 6.274 -4.257 -0.404) 7.593 9.241 ( 5.714 -5.644 5.962) 10.002 9.391 ( -5.036 2.283 0.733) 5.577 9.573 ( -1.175 -1.472 -1.045) 2.154 9.660 ( 0.110 3.688 0.154) 3.693 9.890 ( -0.319 2.938 0.060) 2.956 10.187 ( 0.982 -2.137 -1.588) 2.838 10.261 ( 0.547 -2.863 -3.203) 4.330 10.431 ( -1.338 -3.191 2.190) 4.094 10.456 ( 11.267 4.437 -0.553) 12.122 10.602 ( -7.280 1.177 1.216) 7.474 10.749 ( -4.653 3.699 0.152) 5.946 10.880 ( -10.318 5.065 0.172) 11.495 11.043 ( 0.800 -1.187 -5.233) 5.426 11.281 ( -7.966 -2.672 0.075) 8.403 11.341 ( -6.938 -7.953 0.937) 10.596 11.462 ( -2.636 -2.289 1.142) 3.673 11.545 ( -1.067 -5.957 3.027) 6.767 11.706 ( 9.961 1.845 1.512) 10.242 11.864 ( 3.455 1.117 2.509) 4.413 11.935 ( 1.658 9.201 -1.621) 9.489 12.026 ( -5.877 -7.935 3.170) 10.370 12.204 ( 1.144 -6.769 2.263) 7.228 12.262 ( -0.359 4.164 0.897) 4.275 12.412 ( 0.043 6.935 -4.816) 8.443 12.557 ( -2.027 4.952 -0.961) 5.436 12.604 ( -2.481 -3.740 4.984) 6.707 12.634 ( 5.820 0.111 0.772) 5.872 12.799 ( 1.702 -4.885 0.583) 5.206 12.972 ( -0.055 0.480 -3.703) 3.734 13.080 ( -0.172 5.817 -4.663) 7.457 13.432 ( -0.761 -4.066 -1.865) 4.537 13.527 ( -3.768 -4.071 1.974) 5.888 13.705 ( 0.505 3.696 -0.822) 3.820 13.752 ( -0.981 0.818 -2.605) 2.902 13.865 ( -0.546 7.921 6.705) 10.392 14.001 ( -0.554 -7.425 -7.334) 10.451 14.063 ( -1.331 0.287 1.055) 1.723 14.226 ( 2.838 1.439 0.793) 3.279 14.409 ( 6.341 2.904 2.735) 7.492 14.465 ( 2.901 -0.064 -0.236) 2.912 14.617 ( 13.298 3.972 -4.250) 14.515 14.879 ( 2.923 -0.004 0.871) 3.050 14.996 ( -0.775 -4.513 3.918) 6.026 15.125 ( -0.614 0.685 -3.258) 3.385 15.173 ( 2.698 5.017 0.378) 5.709 15.358 ( 1.942 6.767 0.853) 7.092 15.559 ( 7.541 1.047 -1.357) 7.733 15.769 ( 5.426 7.363 2.710) 9.539 17.017 ( 1.143 -1.328 1.528) 2.325 17.331 ( 8.468 -9.723 -1.337) 12.963 17.986 ( -6.675 -7.178 2.795) 10.192 18.208 ( -8.641 -1.475 -3.261) 9.352 18.392 ( 0.721 13.982 0.110) 14.001 18.924 ( 1.804 0.472 1.047) 2.139 21.699 ( -9.685 -0.574 -2.188) 9.946 22.535 ( 9.635 9.576 14.707) 20.021 22.788 ( -6.911 -5.343 -13.887) 16.405 23.738 ( 9.272 -1.560 0.505) 9.416 ======================= Grid point 271 (132/141) ======================= q-point: (-0.40 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.827 ( -17.815 0.000 11.211) 21.049 3.089 ( -19.672 0.000 14.742) 24.583 3.396 ( -4.373 0.000 2.496) 5.035 3.942 ( -4.982 0.000 -14.171) 15.021 4.093 ( -12.771 0.000 4.127) 13.421 4.158 ( -16.077 0.000 6.470) 17.330 4.373 ( -5.050 0.000 -10.085) 11.279 4.409 ( -10.677 0.000 -3.551) 11.252 4.839 ( -5.492 0.000 4.116) 6.863 4.849 ( -13.514 0.000 -5.413) 14.557 4.882 ( -4.282 0.000 -5.311) 6.822 5.144 ( 1.028 -0.000 4.346) 4.466 5.301 ( 1.344 -0.000 0.783) 1.556 5.321 ( 9.896 -0.000 -2.146) 10.126 5.898 ( -8.662 0.000 -0.691) 8.690 6.015 ( -9.355 0.000 8.274) 12.489 6.254 ( -8.929 0.000 -6.560) 11.080 6.370 ( -1.394 0.000 -10.480) 10.572 6.458 ( -0.994 0.000 1.770) 2.030 6.573 ( 3.080 -0.000 5.338) 6.162 6.746 ( 2.904 -0.000 3.350) 4.433 7.068 ( 7.684 -0.000 0.844) 7.731 7.278 ( -3.004 0.000 -0.436) 3.036 7.479 ( 4.122 -0.000 1.768) 4.485 7.584 ( -4.742 0.000 5.389) 7.179 7.964 ( -11.450 0.000 0.250) 11.453 7.974 ( 1.303 -0.000 0.290) 1.334 8.204 ( 11.881 -0.000 4.521) 12.712 8.441 ( -7.919 0.000 -8.340) 11.501 8.579 ( -10.869 0.000 -8.967) 14.090 8.656 ( -6.069 0.000 -0.327) 6.078 8.893 ( -8.971 0.000 6.265) 10.942 9.260 ( 0.264 -0.000 2.187) 2.203 9.518 ( -6.015 0.000 8.135) 10.117 9.600 ( 2.030 -0.000 -4.623) 5.049 9.795 ( -7.073 0.000 1.118) 7.161 9.869 ( 3.955 -0.000 -7.433) 8.420 9.990 ( 1.439 -0.000 3.467) 3.754 10.110 ( 2.377 -0.000 8.419) 8.748 10.197 ( -2.580 0.000 -8.168) 8.566 10.490 ( 3.567 -0.000 1.112) 3.736 10.685 ( 4.629 -0.000 5.242) 6.994 10.708 ( 0.616 -0.000 3.810) 3.860 10.798 ( -3.062 0.000 -4.036) 5.066 11.107 ( -15.480 0.000 -1.695) 15.572 11.108 ( -10.157 0.000 -0.677) 10.179 11.377 ( -1.230 0.000 -0.320) 1.271 11.460 ( -4.631 0.000 -4.368) 6.366 11.543 ( -8.693 0.000 2.874) 9.156 11.687 ( -0.218 0.000 4.607) 4.612 11.689 ( -5.412 0.000 -0.911) 5.488 12.003 ( -0.986 0.000 -0.001) 0.986 12.136 ( -0.479 0.000 -2.646) 2.689 12.249 ( 2.250 -0.000 -3.285) 3.981 12.336 ( 1.149 -0.000 -0.458) 1.237 12.377 ( 11.210 -0.000 4.940) 12.251 12.409 ( 3.249 -0.000 2.560) 4.136 12.515 ( 5.478 -0.000 -0.038) 5.478 12.845 ( 2.877 -0.000 -1.367) 3.186 12.857 ( -1.889 0.000 -1.399) 2.350 13.094 ( 5.538 -0.000 1.330) 5.695 13.114 ( 3.975 -0.000 -9.177) 10.001 13.181 ( 3.288 -0.000 4.798) 5.817 13.234 ( 2.229 -0.000 -3.417) 4.080 13.629 ( -9.512 0.000 3.744) 10.222 13.748 ( -9.671 0.000 -2.098) 9.896 14.002 ( 1.076 -0.000 -2.652) 2.862 14.163 ( -0.324 0.000 8.770) 8.776 14.331 ( -1.974 0.000 -2.292) 3.025 14.361 ( 10.507 -0.000 -5.168) 11.709 14.451 ( 3.268 -0.000 0.800) 3.364 14.525 ( 11.467 -0.000 -1.995) 11.639 14.616 ( 7.458 -0.000 1.642) 7.636 14.808 ( 0.527 -0.000 -0.283) 0.598 14.853 ( 3.839 -0.000 3.997) 5.542 14.860 ( 12.799 -0.000 -2.529) 13.047 15.429 ( 1.912 -0.000 -0.721) 2.043 15.450 ( -1.368 0.000 3.003) 3.300 15.822 ( 15.187 -0.000 -0.519) 15.196 15.875 ( 10.635 -0.000 -2.044) 10.830 16.983 ( -4.044 0.000 4.275) 5.885 17.161 ( 1.593 -0.000 -0.851) 1.806 17.789 ( -4.996 0.000 -0.936) 5.083 17.886 ( -0.331 0.000 -1.466) 1.503 18.999 ( -3.694 0.000 -0.885) 3.799 19.074 ( 0.504 -0.000 1.427) 1.513 21.899 ( -13.029 0.000 0.220) 13.031 22.418 ( 10.127 -0.000 -6.502) 12.034 23.162 ( -1.993 0.000 3.248) 3.810 23.412 ( 11.200 -0.000 1.433) 11.292 ======================= Grid point 272 (133/141) ======================= q-point: (-0.30 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.840 ( -20.860 -18.693 12.337) 30.607 2.928 ( -27.419 -5.091 18.108) 33.251 3.491 ( -3.768 -13.118 -4.805) 14.469 3.647 ( -28.276 14.922 1.165) 31.993 3.920 ( -7.175 -2.919 -13.467) 15.536 4.165 ( -14.768 -2.955 -0.516) 15.069 4.262 ( -13.756 -9.086 3.920) 16.945 4.387 ( -10.398 -6.359 -2.713) 12.486 4.699 ( -22.099 -7.770 -3.503) 23.686 4.832 ( 0.051 -2.056 2.656) 3.359 4.867 ( -8.693 -4.185 -0.728) 9.675 5.155 ( 6.837 10.996 -4.274) 13.635 5.215 ( 4.854 -1.440 4.773) 6.958 5.522 ( 2.656 -5.460 1.608) 6.281 5.744 ( -8.523 2.207 -2.945) 9.284 6.039 ( -5.246 -6.320 5.043) 9.638 6.176 ( -16.487 -6.330 -1.809) 17.753 6.348 ( -3.377 -1.130 -8.465) 9.183 6.471 ( 6.504 -0.884 0.334) 6.572 6.609 ( 2.243 -1.752 -0.368) 2.870 6.889 ( 3.655 -9.452 4.242) 10.986 7.140 ( -0.329 -0.231 2.568) 2.599 7.202 ( -0.399 3.262 1.753) 3.725 7.483 ( -4.157 -1.781 4.470) 6.358 7.669 ( 3.266 -5.968 -1.065) 6.886 7.833 ( -12.754 0.648 1.185) 12.826 7.969 ( -2.883 -2.010 -2.498) 4.312 8.234 ( -8.171 7.888 -8.166) 13.988 8.407 ( 7.795 -8.263 4.621) 12.264 8.529 ( -10.990 -6.979 -4.917) 13.917 8.577 ( 2.753 6.593 -1.104) 7.230 8.859 ( -2.542 -2.373 0.904) 3.594 8.963 ( -4.612 22.252 4.328) 23.133 9.537 ( -4.303 0.159 3.100) 5.306 9.724 ( -7.282 1.212 2.662) 7.848 9.789 ( 3.370 -15.206 -3.013) 15.864 9.880 ( 2.752 0.936 -1.985) 3.520 10.058 ( -0.268 -5.385 -0.299) 5.400 10.123 ( -2.247 -0.246 0.824) 2.405 10.195 ( 1.274 -2.680 2.641) 3.972 10.539 ( 2.751 -1.404 0.083) 3.090 10.650 ( -10.345 5.494 -1.934) 11.872 10.688 ( -3.890 0.472 5.058) 6.399 10.791 ( 1.284 -4.434 3.089) 5.555 10.975 ( -4.586 -2.584 -2.308) 5.747 11.088 ( -14.663 -3.759 0.403) 15.143 11.342 ( -1.054 -2.661 -0.033) 2.862 11.408 ( -15.163 -0.420 -0.669) 15.183 11.481 ( -0.727 -0.959 -0.153) 1.214 11.605 ( -4.409 1.561 -0.965) 4.776 11.727 ( 0.085 -1.609 5.262) 5.503 12.034 ( 3.711 -1.406 -1.414) 4.212 12.144 ( 1.589 0.318 -2.912) 3.332 12.252 ( -6.077 -0.279 1.434) 6.250 12.287 ( 1.490 0.112 -2.299) 2.742 12.426 ( -0.945 0.353 3.950) 4.077 12.496 ( 5.343 -1.065 1.112) 5.560 12.572 ( 9.389 1.313 -0.851) 9.519 12.802 ( 0.811 3.726 -0.244) 3.821 12.907 ( 2.892 1.449 -0.132) 3.237 13.086 ( 2.127 4.394 -2.483) 5.477 13.142 ( 1.741 -0.512 -6.463) 6.713 13.178 ( 4.385 1.243 -0.043) 4.558 13.345 ( 3.814 -6.360 0.528) 7.435 13.557 ( -6.851 -1.623 2.401) 7.439 13.696 ( -7.792 -4.706 -2.509) 9.442 13.988 ( 4.634 4.468 -3.482) 7.318 14.176 ( 1.304 0.780 11.674) 11.772 14.275 ( 0.010 3.710 -3.105) 4.838 14.428 ( 8.841 4.137 -0.726) 9.788 14.440 ( 7.783 4.120 -7.511) 11.574 14.639 ( 6.345 4.730 1.390) 8.035 14.685 ( 15.268 -1.790 -0.997) 15.405 14.814 ( 1.128 2.598 -0.348) 2.853 14.911 ( 6.380 -2.156 2.516) 7.189 15.016 ( 7.693 -4.268 2.708) 9.205 15.337 ( 3.165 6.857 -0.340) 7.560 15.563 ( 6.650 -3.880 1.713) 7.887 15.858 ( 12.308 10.365 -0.305) 16.094 16.014 ( 16.010 0.349 -0.954) 16.043 16.932 ( -2.402 1.477 2.225) 3.592 17.139 ( 1.543 3.643 0.008) 3.956 17.738 ( -7.878 -1.976 -0.477) 8.137 17.964 ( -1.533 -8.518 -1.152) 8.731 18.923 ( -3.815 4.574 -0.608) 5.987 19.056 ( -0.462 2.226 0.846) 2.425 21.777 ( -13.653 -0.698 -0.697) 13.689 22.497 ( 6.071 -1.678 -9.973) 11.795 23.100 ( 0.597 7.302 6.167) 9.576 23.549 ( 14.116 -1.280 1.673) 14.272 ======================= Grid point 273 (134/141) ======================= q-point: (-0.20 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.791 ( -24.867 -7.321 14.724) 29.812 2.975 ( -27.778 -14.404 12.450) 33.677 3.055 ( -30.153 15.719 0.552) 34.009 3.680 ( -10.140 -12.511 -4.626) 16.756 3.889 ( -6.023 -9.499 -12.191) 16.587 4.157 ( -6.753 -10.432 -4.782) 13.316 4.305 ( -20.241 -11.306 5.491) 23.826 4.430 ( -7.516 -7.584 -1.569) 10.793 4.667 ( -24.189 -15.617 1.254) 28.819 4.792 ( -9.537 0.410 2.369) 9.836 4.947 ( -6.329 -11.581 -1.571) 13.291 5.060 ( 8.048 6.255 -2.147) 10.417 5.289 ( 3.530 -0.078 7.774) 8.539 5.507 ( 0.444 1.821 3.654) 4.106 5.837 ( 2.085 -11.859 -6.128) 13.511 6.058 ( -7.767 -2.126 -2.123) 8.328 6.145 ( -10.519 -8.212 2.288) 13.540 6.317 ( -0.088 -0.215 -8.472) 8.475 6.650 ( 7.410 -7.990 0.134) 10.898 6.680 ( 0.942 -6.891 -2.954) 7.556 7.025 ( -1.794 -1.584 3.142) 3.950 7.108 ( -2.663 1.304 4.099) 5.059 7.183 ( -3.460 -2.981 3.280) 5.622 7.455 ( -6.663 0.309 6.387) 9.235 7.719 ( -11.267 -2.909 -0.718) 11.659 7.754 ( 1.818 2.359 -1.099) 3.175 8.014 ( -1.762 2.812 -8.150) 8.800 8.066 ( -8.909 -10.442 -5.307) 14.716 8.393 ( -7.832 2.292 4.527) 9.332 8.548 ( -4.707 19.546 4.861) 20.684 8.632 ( 5.208 -6.688 -2.560) 8.855 8.728 ( 12.169 -8.638 -1.106) 14.964 8.947 ( 4.262 -7.911 -0.033) 8.986 9.514 ( -3.032 -1.677 -0.641) 3.524 9.606 ( -8.006 4.833 0.727) 9.380 9.820 ( 3.206 4.878 -0.142) 5.839 9.940 ( -3.472 0.102 -2.120) 4.069 10.126 ( -2.530 -3.118 2.483) 4.720 10.136 ( -2.655 -3.156 2.416) 4.780 10.364 ( 5.882 -9.294 3.910) 11.674 10.508 ( -6.054 -3.641 -4.526) 8.390 10.584 ( 2.385 -0.355 -1.147) 2.670 10.645 ( -7.189 -0.802 0.846) 7.283 10.822 ( -7.863 -0.761 -1.348) 8.014 10.982 ( -16.598 -6.929 -0.573) 17.996 11.061 ( 1.872 -5.337 4.828) 7.436 11.234 ( -14.546 2.381 0.276) 14.742 11.417 ( -3.822 -4.884 1.961) 6.505 11.495 ( 1.185 -0.120 0.334) 1.237 11.586 ( -1.089 -4.227 -1.887) 4.755 11.776 ( 0.165 -3.099 8.281) 8.843 12.055 ( -0.423 4.043 -1.780) 4.438 12.137 ( 4.616 1.614 -1.386) 5.082 12.177 ( -5.217 -0.121 1.884) 5.548 12.348 ( 0.205 0.646 -3.402) 3.469 12.409 ( -4.231 -6.149 1.133) 7.549 12.561 ( 6.909 0.403 3.556) 7.781 12.614 ( 4.336 0.813 0.085) 4.412 12.737 ( 4.451 6.873 -2.392) 8.530 12.826 ( -0.728 7.139 3.054) 7.799 13.050 ( 4.432 3.948 -2.504) 6.442 13.151 ( 0.285 -0.909 -5.566) 5.646 13.221 ( -0.489 -4.105 -2.725) 4.952 13.447 ( -1.460 -2.867 0.932) 3.350 13.568 ( -3.366 -4.571 -1.031) 5.770 13.737 ( -2.215 -6.122 -1.070) 6.597 13.929 ( 4.442 6.874 -2.428) 8.537 14.176 ( 0.816 5.310 1.504) 5.579 14.216 ( 4.756 4.233 6.520) 9.113 14.401 ( 10.049 7.029 -0.584) 12.277 14.474 ( 7.974 1.589 -6.042) 10.130 14.607 ( 4.445 5.362 2.587) 7.430 14.716 ( 5.311 6.506 -7.850) 11.496 14.874 ( 11.040 -0.674 2.446) 11.328 14.999 ( 6.475 0.231 4.052) 7.642 15.151 ( 3.679 -4.053 2.446) 5.995 15.283 ( 6.155 4.780 -1.960) 8.036 15.679 ( 11.024 1.537 2.087) 11.324 15.746 ( 9.981 14.719 1.155) 17.821 16.096 ( 13.722 8.539 0.292) 16.165 16.969 ( 3.577 -6.158 -0.586) 7.146 17.091 ( 2.011 3.062 0.677) 3.725 17.710 ( -10.532 -5.574 0.069) 11.916 18.082 ( -4.167 -7.803 -1.060) 8.909 18.778 ( -2.724 8.478 -0.071) 8.906 19.001 ( -0.922 3.204 0.290) 3.346 21.659 ( -13.552 -1.193 -0.586) 13.617 22.553 ( 0.502 -3.609 -13.878) 14.349 22.979 ( 4.804 10.986 9.854) 15.520 23.711 ( 14.214 -0.752 1.292) 14.293 ======================= Grid point 274 (135/141) ======================= q-point: (-0.10 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.517 ( -22.878 11.231 -0.880) 25.501 2.758 ( -21.276 -10.028 10.175) 25.627 2.925 ( -17.735 -7.304 9.564) 21.432 3.781 ( -8.565 -10.373 3.708) 13.953 4.045 ( -2.560 -13.579 -13.891) 19.593 4.204 ( -9.432 -2.661 -5.148) 11.070 4.315 ( -12.665 -6.503 3.271) 14.609 4.493 ( -15.326 -16.910 -3.975) 23.166 4.618 ( -15.770 -1.382 -4.248) 16.390 4.771 ( -9.291 -9.507 -0.662) 13.310 5.104 ( 6.344 -3.479 2.142) 7.546 5.132 ( -6.290 -12.326 9.816) 16.966 5.328 ( 2.123 -2.932 9.353) 10.029 5.581 ( 2.795 -6.080 2.111) 7.017 5.922 ( -0.513 1.135 2.988) 3.238 6.065 ( -5.499 -7.724 -9.242) 13.241 6.321 ( -0.999 -15.211 -1.605) 15.328 6.340 ( 2.435 -5.793 -6.582) 9.100 6.754 ( 2.684 -3.411 0.330) 4.353 6.850 ( 6.184 -0.697 -4.310) 7.570 6.970 ( -4.590 6.955 5.845) 10.178 7.080 ( -4.389 -10.406 -1.339) 11.373 7.201 ( -6.486 -1.737 5.923) 8.954 7.373 ( -6.862 2.877 -0.020) 7.440 7.637 ( -2.531 8.684 -1.494) 9.168 7.731 ( -4.244 -6.425 3.569) 8.487 7.912 ( 3.131 3.584 -7.964) 9.278 8.159 ( -13.392 3.437 6.831) 15.421 8.243 ( -10.662 -2.263 -3.576) 11.471 8.421 ( 4.040 -8.777 0.513) 9.676 8.823 ( 8.581 -6.365 -2.924) 11.077 8.975 ( 9.610 -8.041 -3.046) 12.896 9.175 ( 5.572 -9.551 6.313) 12.732 9.434 ( -5.368 5.899 -1.531) 8.121 9.532 ( -1.341 -2.787 -2.888) 4.232 9.757 ( 2.404 6.314 0.765) 6.799 9.908 ( -0.099 -0.232 0.404) 0.476 10.137 ( -5.320 -4.786 -0.940) 7.218 10.154 ( -1.870 -1.564 1.372) 2.797 10.417 ( -0.764 0.490 2.482) 2.643 10.531 ( -9.959 0.919 -2.101) 10.220 10.607 ( 7.388 1.261 -2.123) 7.789 10.712 ( -8.775 1.792 -0.256) 8.960 10.748 ( -2.267 -15.885 -2.559) 16.249 10.905 ( -14.344 -1.256 -0.847) 14.423 11.084 ( -12.730 -3.912 -0.283) 13.321 11.230 ( 1.727 -6.345 5.513) 8.581 11.424 ( -2.615 -2.424 0.363) 3.584 11.534 ( 1.661 -2.269 2.824) 3.985 11.683 ( -0.006 -6.916 -1.286) 7.035 11.857 ( 0.514 -2.578 10.152) 10.487 11.929 ( -5.999 3.324 -0.205) 6.861 12.088 ( -0.301 4.621 -2.264) 5.155 12.220 ( 7.334 1.022 3.787) 8.317 12.296 ( -3.869 -0.428 1.264) 4.092 12.473 ( 0.129 0.583 -0.929) 1.104 12.616 ( 4.195 5.134 -0.937) 6.696 12.645 ( 2.411 2.888 -1.014) 3.896 12.680 ( 2.068 -4.896 0.392) 5.329 12.739 ( 5.207 4.610 2.381) 7.351 13.014 ( 1.792 2.851 -3.599) 4.929 13.142 ( 0.335 2.374 -3.246) 4.035 13.294 ( -3.526 -7.706 -5.045) 9.862 13.440 ( -3.922 -1.079 3.064) 5.093 13.591 ( -6.323 -3.188 -2.094) 7.384 13.829 ( 4.355 0.750 -3.270) 5.497 13.867 ( -0.624 -2.143 -0.199) 2.241 14.035 ( -1.094 9.082 -4.430) 10.164 14.197 ( 6.131 7.861 13.390) 16.693 14.376 ( 8.559 7.283 -0.708) 11.261 14.504 ( 5.545 2.113 -4.557) 7.482 14.561 ( 6.445 6.691 0.971) 9.341 14.702 ( 3.158 -2.540 -6.098) 7.322 14.957 ( 6.944 1.904 3.757) 8.121 15.028 ( 6.340 3.867 0.935) 7.485 15.168 ( -0.192 4.458 0.346) 4.475 15.293 ( 7.272 3.639 -0.105) 8.133 15.607 ( 10.513 13.025 -0.011) 16.738 15.710 ( 9.252 6.382 1.182) 11.301 16.001 ( 6.704 12.943 0.505) 14.584 17.034 ( 1.395 1.280 3.252) 3.763 17.236 ( 9.290 -11.142 -2.356) 14.697 17.740 ( -9.822 -10.324 0.285) 14.252 18.109 ( -7.694 -2.278 -1.859) 8.236 18.605 ( 0.702 10.418 0.488) 10.453 18.947 ( -1.124 1.787 0.456) 2.160 21.571 ( -10.357 -2.717 0.616) 10.725 22.580 ( -4.565 -5.324 -17.192) 18.567 22.876 ( 9.847 11.935 13.156) 20.310 23.828 ( 9.311 1.164 0.457) 9.395 ======================= Grid point 282 (136/141) ======================= q-point: (-0.30 -0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.474 ( -23.027 0.000 16.060) 28.075 2.646 ( -29.784 0.000 22.068) 37.069 3.304 ( -5.993 0.000 -12.341) 13.720 3.601 ( -27.678 0.000 0.951) 27.694 3.701 ( -28.540 0.000 4.600) 28.908 3.848 ( -13.592 0.000 -8.039) 15.791 4.104 ( -17.586 0.000 -8.191) 19.400 4.186 ( -16.437 0.000 3.485) 16.802 4.360 ( -26.213 0.000 5.088) 26.702 4.741 ( -6.269 0.000 -5.239) 8.170 4.856 ( 0.559 -0.000 5.576) 5.604 5.231 ( -2.732 0.000 2.067) 3.426 5.327 ( 1.698 -0.000 -6.030) 6.265 5.426 ( 1.219 -0.000 -8.047) 8.139 5.782 ( -3.014 0.000 0.144) 3.017 5.838 ( -11.572 0.000 13.067) 17.454 6.019 ( -4.480 0.000 -1.903) 4.868 6.211 ( -9.289 0.000 -15.789) 18.319 6.598 ( 10.636 -0.000 4.676) 11.618 6.629 ( 1.394 -0.000 4.015) 4.250 6.829 ( 4.958 -0.000 2.608) 5.602 7.137 ( -3.909 0.000 4.157) 5.706 7.258 ( 1.641 -0.000 3.863) 4.197 7.383 ( -8.352 0.000 -3.322) 8.988 7.558 ( -13.422 0.000 3.756) 13.937 7.807 ( 3.974 -0.000 -1.672) 4.312 7.890 ( -9.785 0.000 -1.211) 9.860 8.242 ( -6.964 0.000 -9.014) 11.391 8.297 ( -7.193 0.000 -1.432) 7.334 8.487 ( 13.544 -0.000 -0.384) 13.550 8.659 ( 3.080 -0.000 -5.601) 6.392 8.819 ( -0.948 0.000 5.015) 5.104 9.307 ( 2.807 -0.000 9.528) 9.933 9.408 ( -8.385 0.000 8.082) 11.645 9.559 ( -1.873 0.000 -8.474) 8.679 9.667 ( -7.210 0.000 3.973) 8.232 9.930 ( 5.110 -0.000 -8.270) 9.721 10.037 ( 1.483 -0.000 5.170) 5.378 10.068 ( -7.533 0.000 -6.609) 10.021 10.212 ( 4.319 -0.000 9.105) 10.078 10.538 ( -0.703 0.000 -0.619) 0.936 10.595 ( -11.883 0.000 5.025) 12.901 10.662 ( -7.871 0.000 -1.233) 7.967 10.756 ( -9.071 0.000 5.110) 10.411 10.824 ( -3.637 0.000 0.878) 3.741 11.015 ( -0.169 0.000 -1.058) 1.071 11.236 ( -14.143 0.000 -0.955) 14.176 11.288 ( -5.483 0.000 -1.526) 5.691 11.458 ( -2.896 0.000 1.344) 3.193 11.541 ( -7.954 0.000 -2.051) 8.214 11.734 ( 0.713 -0.000 3.828) 3.894 12.071 ( 6.263 -0.000 -0.484) 6.282 12.175 ( -7.081 0.000 -0.981) 7.149 12.194 ( 0.851 -0.000 -3.575) 3.675 12.204 ( -7.646 0.000 6.196) 9.841 12.400 ( -4.526 0.000 -3.254) 5.574 12.569 ( 8.039 -0.000 4.672) 9.298 12.685 ( 9.437 -0.000 -3.529) 10.075 12.788 ( -5.470 0.000 -0.595) 5.502 13.028 ( 9.112 -0.000 3.268) 9.681 13.125 ( 1.311 -0.000 -9.083) 9.177 13.203 ( 7.903 -0.000 3.156) 8.510 13.271 ( 4.730 -0.000 -5.112) 6.964 13.311 ( 7.062 -0.000 0.265) 7.067 13.481 ( -6.662 0.000 3.908) 7.723 13.568 ( -4.503 0.000 -4.111) 6.097 14.058 ( 3.552 -0.000 -8.281) 9.011 14.231 ( 5.738 -0.000 13.189) 14.383 14.290 ( -1.569 0.000 -2.506) 2.957 14.513 ( 7.406 -0.000 -6.481) 9.841 14.586 ( 9.332 -0.000 -2.406) 9.638 14.768 ( 7.219 -0.000 2.142) 7.530 14.783 ( -1.266 0.000 2.279) 2.607 14.828 ( 17.033 -0.000 1.349) 17.086 14.985 ( 8.500 -0.000 4.741) 9.733 15.089 ( 9.641 -0.000 -3.188) 10.154 15.471 ( 2.858 -0.000 1.464) 3.211 15.558 ( 10.184 -0.000 2.278) 10.436 16.077 ( 10.137 -0.000 0.299) 10.142 16.183 ( 22.444 -0.000 -2.339) 22.565 16.937 ( -1.712 0.000 3.184) 3.615 17.173 ( -0.417 0.000 0.788) 0.891 17.665 ( -7.261 0.000 -1.683) 7.454 17.850 ( -2.971 0.000 -1.267) 3.230 18.927 ( -3.240 0.000 -0.341) 3.258 19.062 ( -2.015 0.000 0.464) 2.068 21.639 ( -13.559 0.000 -1.517) 13.643 22.485 ( -0.641 0.000 -16.273) 16.286 23.220 ( 6.191 -0.000 10.826) 12.471 23.674 ( 14.831 -0.000 1.587) 14.916 ======================= Grid point 283 (137/141) ======================= q-point: (-0.20 -0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.434 ( -29.341 -9.889 19.965) 36.841 2.465 ( -23.495 -13.771 20.387) 34.019 3.045 ( -32.316 17.850 2.689) 37.016 3.327 ( -10.806 -13.178 -13.922) 22.005 3.640 ( -18.988 -8.743 -4.604) 21.405 3.735 ( -26.879 -12.911 1.052) 29.837 3.960 ( -14.748 -6.836 -5.534) 17.171 4.108 ( -33.472 -14.355 3.407) 36.580 4.270 ( -4.460 -6.044 8.339) 11.223 4.723 ( -6.427 -5.264 3.842) 9.153 4.792 ( -7.927 5.727 -5.128) 11.042 5.140 ( -9.160 -0.314 -2.109) 9.405 5.308 ( 3.171 -1.360 -4.857) 5.958 5.520 ( -12.558 -8.952 -8.991) 17.851 5.634 ( 7.418 3.571 3.808) 9.071 5.920 ( -6.935 -6.675 2.872) 10.045 6.022 ( 2.088 -1.315 -0.955) 2.646 6.173 ( -8.071 -7.804 -13.770) 17.766 6.620 ( 4.310 0.721 5.081) 6.702 6.716 ( 9.865 0.028 4.496) 10.841 6.983 ( 4.793 -8.506 4.550) 10.771 7.031 ( -7.188 4.064 1.086) 8.328 7.242 ( -1.559 3.768 8.908) 9.797 7.378 ( -8.181 -7.018 -2.221) 11.005 7.451 ( -16.060 -4.037 4.387) 17.130 7.800 ( -5.794 -0.884 0.231) 5.865 7.857 ( 1.926 -0.777 -5.859) 6.216 8.088 ( -1.151 6.451 -9.646) 11.661 8.325 ( -4.196 -3.425 2.116) 5.815 8.630 ( 3.693 0.148 -4.673) 5.958 8.682 ( 10.284 -2.818 -2.147) 10.877 8.872 ( 2.288 -4.083 -1.380) 4.879 8.973 ( 5.893 21.469 10.709) 24.705 9.420 ( -7.692 -2.558 1.841) 8.313 9.576 ( -8.615 1.123 2.067) 8.930 9.843 ( 2.366 -12.165 -1.163) 12.447 9.954 ( 0.396 2.678 -4.903) 5.601 10.002 ( -0.964 -7.067 2.230) 7.472 10.053 ( -2.090 -1.302 1.589) 2.931 10.271 ( 0.745 -1.171 3.638) 3.894 10.397 ( -10.514 1.534 0.855) 10.659 10.550 ( -4.856 -1.482 -0.943) 5.164 10.637 ( -0.820 -0.501 1.801) 2.041 10.694 ( -13.856 -5.511 0.184) 14.913 10.812 ( -2.417 1.840 2.508) 3.939 11.028 ( 1.473 -1.458 1.438) 2.522 11.114 ( -13.234 -0.081 1.150) 13.284 11.295 ( -3.398 -5.084 1.144) 6.221 11.453 ( -3.447 -2.060 0.672) 4.072 11.480 ( -5.305 -3.576 -0.373) 6.409 11.737 ( -3.065 -1.092 2.041) 3.841 12.045 ( -11.454 0.623 2.103) 11.662 12.124 ( 0.328 -2.748 -2.713) 3.876 12.195 ( 0.772 -2.222 3.469) 4.191 12.248 ( -4.139 -0.106 -0.583) 4.181 12.344 ( -0.225 -1.458 -1.945) 2.441 12.645 ( 5.676 0.157 6.377) 8.539 12.691 ( 1.029 3.014 0.171) 3.190 12.767 ( -1.492 -0.219 -3.829) 4.115 13.024 ( 1.131 3.467 0.761) 3.725 13.100 ( 2.732 4.793 -6.357) 8.417 13.206 ( 6.048 5.968 0.000) 8.496 13.281 ( 9.162 6.083 -4.805) 12.002 13.412 ( 1.904 -3.667 0.713) 4.193 13.497 ( 2.159 -4.545 1.878) 5.371 13.613 ( 0.773 -5.434 -2.195) 5.911 14.046 ( 1.682 2.305 -8.104) 8.592 14.227 ( -1.968 3.237 -2.533) 4.557 14.334 ( 8.897 0.835 10.008) 13.417 14.563 ( 7.276 1.135 -4.396) 8.576 14.611 ( 9.660 5.979 -0.926) 11.398 14.718 ( 2.020 5.232 3.989) 6.883 14.845 ( 2.433 1.255 0.277) 2.752 15.024 ( 18.064 -0.107 -2.306) 18.211 15.082 ( 8.782 0.125 4.629) 9.928 15.128 ( 3.407 -0.224 -0.231) 3.422 15.436 ( 6.917 5.846 -0.259) 9.060 15.755 ( 11.606 -5.630 3.874) 13.469 16.075 ( 9.411 10.642 2.154) 14.369 16.379 ( 21.355 4.921 -1.820) 21.990 16.926 ( 2.108 -1.271 0.204) 2.470 17.154 ( -0.366 1.904 1.856) 2.684 17.569 ( -9.024 0.418 -2.032) 9.259 17.898 ( -4.693 -7.997 -1.198) 9.349 18.862 ( -2.227 4.328 0.157) 4.870 19.024 ( -2.803 1.644 -0.080) 3.251 21.511 ( -13.422 -0.681 -1.307) 13.503 22.434 ( -7.506 -2.815 -20.506) 22.017 23.247 ( 10.619 8.330 13.514) 19.099 23.835 ( 14.214 -1.066 1.271) 14.311 ======================= Grid point 284 (138/141) ======================= q-point: (-0.10 -0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( -25.286 -10.538 16.339) 31.897 2.489 ( -25.551 6.593 13.739) 29.750 2.605 ( -15.292 -11.460 6.826) 20.293 3.447 ( -13.456 -15.829 -3.276) 21.033 3.713 ( -9.519 -17.374 -9.377) 21.918 3.815 ( -24.290 -25.312 2.185) 35.150 3.951 ( -14.536 -10.130 -10.392) 20.541 4.044 ( -28.555 -13.886 6.599) 32.431 4.420 ( -4.139 -9.304 5.062) 11.372 4.550 ( -15.988 0.629 -6.821) 17.394 4.831 ( -5.282 -12.000 10.524) 16.812 5.111 ( -2.672 -4.167 -5.240) 7.208 5.349 ( -0.410 0.507 4.182) 4.232 5.515 ( -4.607 -7.007 -7.680) 11.371 5.792 ( 0.182 -11.691 -8.709) 14.580 5.942 ( -3.145 -2.204 2.099) 4.376 6.092 ( 4.151 -5.549 0.104) 6.930 6.234 ( -3.107 -8.084 -8.496) 12.133 6.703 ( 2.291 -5.184 -1.010) 5.757 6.839 ( 7.550 -3.708 9.332) 12.563 6.925 ( -6.172 -0.600 0.450) 6.217 7.127 ( -3.970 7.076 7.599) 11.117 7.155 ( 4.902 -1.453 3.326) 6.099 7.327 ( -7.710 0.317 1.681) 7.897 7.486 ( -12.470 -13.238 -2.156) 18.314 7.776 ( 1.253 3.579 1.455) 4.061 7.843 ( -7.121 -3.550 -5.546) 9.699 8.004 ( 3.469 3.829 -6.533) 8.329 8.284 ( -9.035 3.699 12.534) 15.887 8.509 ( 2.883 9.672 -4.170) 10.920 8.819 ( 11.339 -4.124 -5.184) 13.132 8.942 ( 9.287 -5.015 -7.130) 12.737 9.083 ( 8.234 -8.751 9.294) 15.190 9.402 ( -8.848 -1.589 -1.084) 9.055 9.482 ( -1.944 -0.468 0.392) 2.038 9.792 ( -9.594 2.157 -2.088) 10.053 9.975 ( 9.256 1.352 0.848) 9.392 10.039 ( -4.140 -0.754 -0.049) 4.209 10.120 ( -2.699 -0.239 2.459) 3.659 10.334 ( -8.953 -9.449 -0.672) 13.034 10.426 ( -3.445 -8.987 -1.253) 9.706 10.484 ( -4.398 2.329 -2.011) 5.368 10.631 ( -7.511 -2.730 1.107) 8.068 10.696 ( 0.618 -2.054 -2.458) 3.262 10.727 ( -6.730 -0.088 1.998) 7.020 10.985 ( -7.310 1.789 3.602) 8.344 11.146 ( 2.965 -6.908 5.887) 9.548 11.323 ( -4.879 -4.025 -0.359) 6.336 11.443 ( -4.632 -3.829 0.088) 6.010 11.574 ( -2.045 -5.888 -0.274) 6.239 11.762 ( -3.097 -6.643 5.405) 9.107 11.963 ( -8.133 -1.499 3.683) 9.053 12.106 ( -7.904 5.551 0.555) 9.675 12.187 ( -2.263 -5.477 2.016) 6.260 12.265 ( 5.483 -2.142 -0.522) 5.909 12.454 ( 1.902 -6.467 -1.825) 6.983 12.654 ( 0.305 1.797 3.822) 4.234 12.680 ( -1.526 2.465 -0.357) 2.921 12.726 ( 2.738 2.198 1.243) 3.725 12.986 ( 7.409 5.116 -3.585) 9.691 13.027 ( -2.787 2.849 -3.846) 5.538 13.159 ( 2.793 3.427 1.540) 4.682 13.244 ( 6.127 5.142 -7.929) 11.263 13.465 ( 2.938 0.880 2.703) 4.088 13.559 ( 0.855 1.540 -0.013) 1.761 13.718 ( 0.689 -7.034 -1.830) 7.301 13.982 ( 1.952 6.273 -3.558) 7.471 14.124 ( -3.640 5.270 -6.200) 8.914 14.407 ( 9.525 3.977 11.102) 15.159 14.584 ( 7.777 6.464 -2.085) 10.325 14.606 ( 8.028 3.005 -5.375) 10.118 14.658 ( 1.075 3.359 8.176) 8.904 14.792 ( 5.074 7.234 -4.013) 9.704 15.075 ( 5.213 3.154 2.310) 6.516 15.138 ( 5.223 2.524 3.059) 6.558 15.236 ( 6.779 0.551 -0.960) 6.869 15.433 ( 10.489 3.078 -3.217) 11.395 15.902 ( 9.785 3.541 2.899) 10.802 15.949 ( 10.158 13.970 3.495) 17.623 16.333 ( 10.083 16.771 -0.719) 19.582 17.082 ( 4.706 -1.158 3.176) 5.795 17.144 ( 6.824 -7.200 -2.494) 10.229 17.505 ( -9.999 -5.072 -1.987) 11.386 17.964 ( -7.131 -5.917 -1.459) 9.381 18.755 ( 0.198 6.811 0.815) 6.863 18.961 ( -2.938 2.113 -0.326) 3.633 21.418 ( -10.976 -3.211 1.113) 11.490 22.381 ( -10.594 -6.152 -22.467) 25.590 23.217 ( 13.676 11.695 14.351) 23.017 23.948 ( 9.267 2.107 0.439) 9.514 ======================= Grid point 293 (139/141) ======================= q-point: (-0.20 -0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( -23.953 0.000 24.064) 33.953 2.154 ( -29.687 0.000 26.863) 40.037 3.003 ( -32.828 0.000 2.124) 32.896 3.052 ( -15.436 0.000 -23.832) 28.394 3.119 ( -29.202 0.000 14.293) 32.513 3.466 ( -24.545 0.000 -1.397) 24.584 3.624 ( -33.240 0.000 12.450) 35.496 3.786 ( -9.630 0.000 -15.040) 17.859 4.201 ( -2.390 0.000 12.903) 13.123 4.629 ( -3.865 0.000 3.079) 4.942 4.832 ( -32.038 0.000 -6.345) 32.661 4.847 ( -2.315 0.000 -3.391) 4.106 5.230 ( -9.279 0.000 -23.102) 24.896 5.363 ( -7.419 0.000 -0.751) 7.457 5.779 ( 2.254 -0.000 0.950) 2.446 5.815 ( 4.973 -0.000 3.444) 6.049 5.989 ( -5.933 0.000 -12.787) 14.097 6.048 ( 4.706 -0.000 -3.775) 6.033 6.677 ( 2.768 -0.000 4.688) 5.444 6.814 ( 6.942 -0.000 2.791) 7.482 7.023 ( 13.399 -0.000 9.760) 16.576 7.027 ( -7.314 0.000 4.298) 8.483 7.082 ( -17.466 0.000 -2.152) 17.598 7.274 ( -4.204 0.000 10.204) 11.035 7.379 ( -4.313 0.000 4.978) 6.586 7.679 ( -8.325 0.000 -1.867) 8.531 7.911 ( 5.291 -0.000 -7.971) 9.567 8.164 ( 2.389 -0.000 -6.563) 6.984 8.257 ( 0.253 -0.000 2.658) 2.670 8.656 ( 2.951 -0.000 -10.712) 11.111 8.764 ( 10.595 -0.000 -1.517) 10.703 8.845 ( 1.776 -0.000 0.891) 1.987 9.262 ( -8.977 0.000 6.404) 11.027 9.426 ( -0.003 0.000 9.931) 9.931 9.529 ( 3.016 -0.000 -8.966) 9.460 9.605 ( 4.473 -0.000 14.561) 15.233 9.886 ( -8.967 0.000 -4.098) 9.859 10.007 ( 5.846 -0.000 -8.645) 10.436 10.026 ( -6.116 0.000 3.047) 6.833 10.321 ( -1.388 0.000 2.723) 3.056 10.376 ( -1.956 0.000 4.848) 5.228 10.381 ( -10.733 0.000 -1.275) 10.809 10.551 ( -10.765 0.000 4.441) 11.645 10.619 ( 1.163 -0.000 -3.304) 3.502 10.841 ( -0.784 0.000 5.340) 5.398 11.012 ( -7.904 0.000 5.387) 9.565 11.039 ( 2.139 -0.000 -0.375) 2.172 11.219 ( -1.159 0.000 0.371) 1.217 11.385 ( -4.635 0.000 3.360) 5.724 11.401 ( -5.105 0.000 -2.565) 5.714 11.685 ( -6.548 0.000 -0.777) 6.594 11.961 ( -15.057 0.000 -1.160) 15.102 11.968 ( -10.056 0.000 2.374) 10.332 12.193 ( 1.623 -0.000 1.512) 2.219 12.271 ( 3.139 -0.000 -4.082) 5.149 12.315 ( -3.141 0.000 0.159) 3.145 12.673 ( -1.667 0.000 12.819) 12.927 12.739 ( 2.754 -0.000 2.325) 3.604 12.756 ( 1.038 -0.000 -4.472) 4.591 12.966 ( -6.334 0.000 -12.529) 14.039 13.289 ( 10.422 -0.000 4.103) 11.200 13.308 ( -4.728 0.000 -2.769) 5.479 13.372 ( 6.332 -0.000 0.919) 6.398 13.383 ( 5.417 -0.000 -0.046) 5.418 13.547 ( 11.082 -0.000 1.231) 11.150 13.581 ( 5.552 -0.000 -2.862) 6.247 14.025 ( -1.896 0.000 -13.283) 13.418 14.234 ( -3.090 0.000 -1.660) 3.507 14.466 ( 11.553 -0.000 9.169) 14.749 14.629 ( 5.830 -0.000 -1.002) 5.915 14.761 ( 9.557 -0.000 -0.205) 9.559 14.816 ( 3.906 -0.000 3.421) 5.193 14.846 ( 0.854 -0.000 2.454) 2.598 15.120 ( 12.486 -0.000 -5.712) 13.731 15.195 ( 8.169 -0.000 7.222) 10.904 15.198 ( 3.330 -0.000 -2.474) 4.149 15.594 ( 11.038 -0.000 0.037) 11.038 15.794 ( 11.830 -0.000 6.792) 13.641 16.249 ( 6.841 -0.000 3.058) 7.493 16.655 ( 26.950 -0.000 -3.781) 27.214 16.960 ( 3.774 -0.000 1.755) 4.162 17.143 ( -3.698 0.000 2.495) 4.461 17.506 ( -7.791 0.000 -3.951) 8.736 17.767 ( -4.926 0.000 -1.230) 5.078 18.879 ( -1.727 0.000 0.332) 1.758 19.005 ( -3.666 0.000 -0.415) 3.690 21.375 ( -12.778 0.000 -2.565) 13.033 22.246 ( -17.386 0.000 -23.480) 29.216 23.471 ( 14.579 -0.000 14.034) 20.236 23.961 ( 13.383 -0.000 1.062) 13.425 ======================= Grid point 294 (140/141) ======================= q-point: (-0.10 -0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( -25.940 -8.668 26.578) 38.136 2.140 ( -18.358 -19.829 26.826) 38.077 2.487 ( -23.405 12.269 -1.182) 26.452 3.021 ( -20.000 -14.724 -14.174) 28.596 3.154 ( -20.508 -21.620 18.794) 35.231 3.317 ( -19.640 -12.131 -2.291) 23.197 3.471 ( -29.383 -12.738 7.750) 32.949 3.733 ( -7.311 -5.743 -13.599) 16.473 4.274 ( -0.065 -6.788 12.018) 13.803 4.401 ( -27.861 6.337 -7.931) 29.653 4.672 ( -1.384 -5.787 9.684) 11.366 4.913 ( -11.465 -7.898 -10.441) 17.402 5.155 ( -10.388 -12.778 -27.743) 32.262 5.311 ( -7.491 -2.820 0.163) 8.006 5.797 ( 6.964 1.656 -2.195) 7.487 5.867 ( -1.195 -2.070 2.150) 3.215 6.026 ( -2.516 -8.809 -7.610) 11.910 6.098 ( 5.929 -1.767 -5.185) 8.072 6.712 ( 4.576 0.727 4.276) 6.305 6.865 ( -7.379 1.435 1.005) 7.584 6.884 ( 4.161 -1.350 4.442) 6.234 7.099 ( -12.061 -11.728 2.852) 17.063 7.198 ( 1.977 1.891 9.741) 10.118 7.213 ( 1.647 -1.910 2.994) 3.914 7.305 ( -2.740 5.766 4.309) 7.702 7.695 ( -2.439 -5.061 0.185) 5.621 7.921 ( 5.159 2.530 -5.078) 7.669 8.118 ( 6.512 6.156 -6.655) 11.162 8.280 ( -3.605 0.737 7.957) 8.767 8.617 ( -1.525 3.354 -6.596) 7.556 8.868 ( 9.379 -1.736 -5.832) 11.180 8.921 ( 4.912 -4.455 -4.124) 7.809 9.172 ( 0.537 3.117 6.904) 7.594 9.348 ( 6.992 6.968 3.221) 10.383 9.419 ( -8.124 -1.419 2.641) 8.659 9.749 ( -8.879 4.042 -2.502) 10.071 9.961 ( 2.797 -9.715 3.363) 10.654 9.978 ( -7.117 -2.924 1.629) 7.864 10.082 ( 0.406 -5.625 -4.279) 7.079 10.156 ( -0.047 4.070 -1.112) 4.219 10.387 ( -4.923 -1.758 -3.828) 6.479 10.426 ( -3.805 -2.570 5.024) 6.806 10.484 ( -1.940 -0.321 3.660) 4.155 10.660 ( 1.998 -3.443 -3.743) 5.464 10.759 ( -4.873 5.748 4.503) 8.779 10.983 ( 0.040 0.700 8.949) 8.976 11.090 ( 2.313 -4.016 2.554) 5.291 11.233 ( -2.391 -1.395 -0.354) 2.791 11.362 ( -3.224 -1.019 -1.941) 3.899 11.442 ( -1.517 -7.778 3.268) 8.572 11.628 ( -5.535 -3.747 0.024) 6.684 11.810 ( -15.017 -0.762 3.629) 15.468 11.944 ( -10.729 -7.291 -2.066) 13.136 12.184 ( -4.514 -0.219 -0.395) 4.537 12.278 ( 2.904 -0.501 -1.796) 3.451 12.351 ( -0.245 -5.023 -0.701) 5.077 12.664 ( -2.269 1.199 8.477) 8.857 12.724 ( -1.032 3.950 -2.876) 4.994 12.780 ( 4.193 -0.560 4.001) 5.823 12.902 ( -6.617 -2.726 -4.981) 8.719 13.185 ( 2.059 7.018 -1.414) 7.449 13.289 ( 5.417 6.557 -3.037) 9.031 13.421 ( 2.715 -1.114 -0.784) 3.038 13.518 ( 8.257 5.766 2.389) 10.351 13.587 ( 5.172 -3.985 -0.526) 6.551 13.676 ( 4.892 -0.296 -1.599) 5.155 14.013 ( 0.392 -2.077 -10.488) 10.699 14.163 ( -2.898 4.405 -0.716) 5.321 14.550 ( 7.588 2.290 6.273) 10.108 14.679 ( 5.806 0.614 -2.740) 6.449 14.782 ( 6.883 5.674 2.350) 9.225 14.795 ( 3.915 6.451 3.548) 8.339 14.890 ( 3.582 0.486 2.898) 4.633 15.146 ( -0.004 4.471 -1.434) 4.695 15.229 ( 4.481 0.362 3.664) 5.799 15.316 ( 11.546 -3.546 -4.413) 12.859 15.621 ( 12.421 7.864 1.135) 14.745 15.994 ( 9.760 -4.246 5.407) 11.938 16.239 ( 7.587 8.616 4.441) 12.310 16.733 ( 12.425 17.013 -0.203) 21.068 17.071 ( 14.840 -7.775 -3.244) 17.064 17.135 ( -2.329 -0.513 3.923) 4.592 17.393 ( -7.342 2.258 -4.555) 8.931 17.787 ( -5.989 -6.588 -1.500) 9.029 18.839 ( -0.521 3.164 0.774) 3.299 18.957 ( -3.706 1.214 -0.760) 3.973 21.267 ( -10.790 -1.936 -0.788) 10.991 22.068 ( -22.014 -7.863 -23.848) 33.394 23.566 ( 16.678 8.923 13.044) 22.976 24.068 ( 8.740 1.510 0.441) 8.880 ======================= Grid point 304 (141/141) ======================= q-point: (-0.10 -0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( -24.397 0.000 31.339) 39.716 1.767 ( -17.614 0.000 32.723) 37.163 2.430 ( -23.979 0.000 -3.893) 24.293 2.566 ( -18.511 0.000 -9.802) 20.946 2.917 ( -1.532 0.000 18.542) 18.605 3.007 ( -20.420 0.000 3.867) 20.783 3.135 ( -22.039 0.000 14.613) 26.443 3.608 ( -4.147 0.000 -12.813) 13.467 4.133 ( -33.429 0.000 -7.708) 34.306 4.258 ( 1.173 -0.000 15.116) 15.161 4.608 ( -2.999 0.000 1.379) 3.300 4.728 ( -6.185 0.000 -15.940) 17.098 4.893 ( -8.241 0.000 -30.415) 31.512 5.176 ( -10.705 0.000 0.226) 10.708 5.846 ( 4.546 -0.000 -7.299) 8.599 5.889 ( -0.055 0.000 -3.618) 3.619 5.912 ( -0.972 0.000 2.704) 2.873 6.114 ( 3.927 -0.000 -7.793) 8.726 6.778 ( 5.120 -0.000 4.938) 7.113 6.809 ( -6.467 0.000 -0.008) 6.467 6.903 ( 2.384 -0.000 2.724) 3.620 6.914 ( -5.118 0.000 4.007) 6.500 7.180 ( -7.395 0.000 7.998) 10.892 7.199 ( -0.428 0.000 -2.591) 2.626 7.515 ( 13.181 -0.000 10.291) 16.722 7.585 ( -2.692 0.000 2.062) 3.391 7.975 ( 5.637 -0.000 -4.675) 7.324 8.255 ( -3.550 0.000 9.743) 10.369 8.268 ( 9.524 -0.000 -7.337) 12.022 8.591 ( -4.817 0.000 -13.325) 14.169 8.886 ( 2.493 -0.000 -0.485) 2.540 8.962 ( 10.282 -0.000 -5.939) 11.874 9.121 ( -6.406 0.000 2.792) 6.988 9.316 ( -9.686 0.000 3.494) 10.297 9.617 ( 7.037 -0.000 -5.405) 8.874 9.716 ( -5.972 0.000 -2.463) 6.460 9.861 ( -7.875 0.000 1.805) 8.079 9.942 ( 14.812 -0.000 12.259) 19.227 10.087 ( 3.779 -0.000 -5.246) 6.466 10.218 ( -3.272 0.000 -4.585) 5.633 10.232 ( -1.671 0.000 -4.293) 4.607 10.353 ( -9.657 0.000 2.205) 9.905 10.560 ( 9.193 -0.000 10.155) 13.698 10.650 ( 4.612 -0.000 -3.430) 5.748 10.782 ( -4.592 0.000 5.683) 7.306 11.032 ( 4.348 -0.000 12.270) 13.017 11.060 ( -1.310 0.000 -0.019) 1.310 11.254 ( 5.985 -0.000 0.111) 5.986 11.326 ( -2.556 0.000 4.035) 4.777 11.344 ( 0.042 -0.000 -2.473) 2.474 11.554 ( -4.544 0.000 -0.838) 4.620 11.655 ( -14.546 0.000 -2.334) 14.732 11.767 ( -12.264 0.000 2.852) 12.592 12.063 ( -13.459 0.000 -6.977) 15.160 12.292 ( 1.499 -0.000 -3.440) 3.752 12.303 ( -0.584 0.000 0.322) 0.667 12.674 ( -3.073 0.000 5.937) 6.685 12.747 ( -6.680 0.000 -10.836) 12.729 12.804 ( 1.241 -0.000 10.722) 10.793 12.815 ( 1.816 -0.000 4.047) 4.435 13.248 ( 0.165 -0.000 0.051) 0.173 13.392 ( -1.399 0.000 4.571) 4.780 13.454 ( 2.811 -0.000 -0.466) 2.850 13.544 ( 11.952 -0.000 -0.348) 11.957 13.662 ( 2.154 -0.000 -4.082) 4.616 13.733 ( 6.012 -0.000 -1.268) 6.144 13.992 ( 5.290 -0.000 -11.087) 12.285 14.167 ( -4.565 0.000 2.742) 5.325 14.639 ( 3.438 -0.000 7.485) 8.237 14.727 ( 4.980 -0.000 -0.771) 5.039 14.847 ( -0.634 0.000 0.890) 1.092 14.887 ( 2.243 -0.000 -3.084) 3.813 14.998 ( 11.469 -0.000 6.829) 13.348 15.242 ( 3.463 -0.000 -1.964) 3.981 15.253 ( -1.367 0.000 7.274) 7.401 15.298 ( 6.322 -0.000 -9.749) 11.620 15.878 ( 16.073 -0.000 -0.675) 16.087 16.023 ( 7.044 -0.000 9.597) 11.905 16.395 ( 9.574 -0.000 5.061) 10.829 17.009 ( -9.242 0.000 3.262) 9.801 17.087 ( 7.443 -0.000 1.913) 7.685 17.158 ( 22.188 -0.000 -4.102) 22.564 17.370 ( -3.766 0.000 -5.092) 6.333 17.665 ( -5.096 0.000 -1.313) 5.262 18.857 ( -1.006 0.000 0.583) 1.162 18.929 ( -3.577 0.000 -1.068) 3.733 21.158 ( -7.302 0.000 -3.589) 8.136 21.666 ( -33.015 0.000 -16.964) 37.118 23.839 ( 17.874 -0.000 8.846) 19.943 24.156 ( 5.758 -0.000 0.284) 5.765 =================== 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 3/45000 10.0 1055.885 1181.614 770.806 -0.000 356.131 -0.000 3/45000 20.0 460.706 464.508 462.571 -0.000 43.913 -0.000 3/45000 30.0 158.323 141.935 145.889 -0.000 9.919 -0.000 3/45000 40.0 70.428 59.691 59.887 -0.000 4.391 -0.000 3/45000 50.0 39.002 32.236 31.706 -0.000 2.430 -0.000 3/45000 60.0 24.985 20.413 19.829 -0.000 1.537 -0.000 3/45000 70.0 17.611 14.314 13.802 -0.000 1.064 -0.000 3/45000 80.0 13.256 10.752 10.323 -0.000 0.784 -0.000 3/45000 90.0 10.465 8.482 8.122 -0.000 0.604 -0.000 3/45000 100.0 8.564 6.942 6.636 -0.000 0.483 -0.000 3/45000 110.0 7.207 5.845 5.579 -0.000 0.397 -0.000 3/45000 120.0 6.203 5.034 4.797 -0.000 0.334 -0.000 3/45000 130.0 5.436 4.414 4.200 -0.000 0.286 -0.000 3/45000 140.0 4.836 3.929 3.732 -0.000 0.249 -0.000 3/45000 150.0 4.355 3.541 3.358 -0.000 0.220 -0.000 3/45000 160.0 3.963 3.224 3.051 -0.000 0.196 -0.000 3/45000 170.0 3.638 2.961 2.797 -0.000 0.177 -0.000 3/45000 180.0 3.364 2.739 2.584 -0.000 0.162 -0.000 3/45000 190.0 3.131 2.551 2.401 -0.000 0.148 -0.000 3/45000 200.0 2.930 2.388 2.244 -0.000 0.137 -0.000 3/45000 210.0 2.755 2.246 2.107 -0.000 0.128 -0.000 3/45000 220.0 2.601 2.121 1.987 -0.000 0.119 -0.000 3/45000 230.0 2.465 2.010 1.880 -0.000 0.112 -0.000 3/45000 240.0 2.343 1.911 1.785 -0.000 0.106 -0.000 3/45000 250.0 2.234 1.822 1.700 -0.000 0.100 -0.000 3/45000 260.0 2.135 1.742 1.623 -0.000 0.095 -0.000 3/45000 270.0 2.045 1.669 1.553 -0.000 0.091 -0.000 3/45000 280.0 1.963 1.602 1.490 -0.000 0.087 -0.000 3/45000 290.0 1.887 1.541 1.431 -0.000 0.083 -0.000 3/45000 300.0 1.818 1.484 1.378 -0.000 0.080 -0.000 3/45000 310.0 1.754 1.432 1.328 -0.000 0.077 -0.000 3/45000 320.0 1.695 1.384 1.282 -0.000 0.074 -0.000 3/45000 330.0 1.639 1.339 1.240 -0.000 0.072 -0.000 3/45000 340.0 1.588 1.296 1.200 -0.000 0.070 -0.000 3/45000 350.0 1.539 1.257 1.163 -0.000 0.067 -0.000 3/45000 360.0 1.494 1.220 1.128 -0.000 0.065 -0.000 3/45000 370.0 1.451 1.185 1.095 -0.000 0.063 -0.000 3/45000 380.0 1.411 1.153 1.065 -0.000 0.062 -0.000 3/45000 390.0 1.373 1.122 1.036 -0.000 0.060 -0.000 3/45000 400.0 1.338 1.092 1.008 -0.000 0.058 -0.000 3/45000 410.0 1.304 1.065 0.982 -0.000 0.057 -0.000 3/45000 420.0 1.272 1.038 0.958 -0.000 0.056 -0.000 3/45000 430.0 1.241 1.014 0.934 -0.000 0.054 -0.000 3/45000 440.0 1.212 0.990 0.912 -0.000 0.053 -0.000 3/45000 450.0 1.184 0.967 0.891 -0.000 0.052 -0.000 3/45000 460.0 1.158 0.946 0.871 -0.000 0.051 -0.000 3/45000 470.0 1.133 0.925 0.852 -0.000 0.050 -0.000 3/45000 480.0 1.108 0.905 0.833 -0.000 0.048 -0.000 3/45000 490.0 1.085 0.886 0.816 -0.000 0.047 -0.000 3/45000 500.0 1.063 0.868 0.799 -0.000 0.047 -0.000 3/45000 510.0 1.042 0.851 0.783 -0.000 0.046 -0.000 3/45000 520.0 1.022 0.834 0.767 -0.000 0.045 -0.000 3/45000 530.0 1.002 0.818 0.753 -0.000 0.044 -0.000 3/45000 540.0 0.983 0.803 0.738 -0.000 0.043 -0.000 3/45000 550.0 0.965 0.788 0.725 -0.000 0.042 -0.000 3/45000 560.0 0.948 0.774 0.711 -0.000 0.042 -0.000 3/45000 570.0 0.931 0.760 0.699 -0.000 0.041 -0.000 3/45000 580.0 0.914 0.747 0.686 -0.000 0.040 -0.000 3/45000 590.0 0.899 0.734 0.675 -0.000 0.039 -0.000 3/45000 600.0 0.884 0.721 0.663 -0.000 0.039 -0.000 3/45000 610.0 0.869 0.710 0.652 -0.000 0.038 -0.000 3/45000 620.0 0.855 0.698 0.641 -0.000 0.038 -0.000 3/45000 630.0 0.841 0.687 0.631 -0.000 0.037 -0.000 3/45000 640.0 0.828 0.676 0.621 -0.000 0.036 -0.000 3/45000 650.0 0.815 0.665 0.611 -0.000 0.036 -0.000 3/45000 660.0 0.803 0.655 0.602 -0.000 0.035 -0.000 3/45000 670.0 0.791 0.645 0.593 -0.000 0.035 -0.000 3/45000 680.0 0.779 0.636 0.584 -0.000 0.034 -0.000 3/45000 690.0 0.768 0.627 0.575 -0.000 0.034 -0.000 3/45000 700.0 0.757 0.618 0.567 -0.000 0.033 -0.000 3/45000 710.0 0.746 0.609 0.559 -0.000 0.033 -0.000 3/45000 720.0 0.735 0.600 0.551 -0.000 0.032 -0.000 3/45000 730.0 0.725 0.592 0.544 -0.000 0.032 -0.000 3/45000 740.0 0.715 0.584 0.536 -0.000 0.032 -0.000 3/45000 750.0 0.706 0.576 0.529 -0.000 0.031 -0.000 3/45000 760.0 0.697 0.569 0.522 -0.000 0.031 -0.000 3/45000 770.0 0.687 0.561 0.515 -0.000 0.030 -0.000 3/45000 780.0 0.679 0.554 0.508 -0.000 0.030 -0.000 3/45000 790.0 0.670 0.547 0.502 -0.000 0.030 -0.000 3/45000 800.0 0.662 0.540 0.496 -0.000 0.029 -0.000 3/45000 810.0 0.653 0.533 0.489 -0.000 0.029 -0.000 3/45000 820.0 0.645 0.527 0.483 -0.000 0.029 -0.000 3/45000 830.0 0.638 0.520 0.478 -0.000 0.028 -0.000 3/45000 840.0 0.630 0.514 0.472 -0.000 0.028 -0.000 3/45000 850.0 0.623 0.508 0.466 -0.000 0.028 -0.000 3/45000 860.0 0.615 0.502 0.461 -0.000 0.027 -0.000 3/45000 870.0 0.608 0.496 0.456 -0.000 0.027 -0.000 3/45000 880.0 0.601 0.491 0.450 -0.000 0.027 -0.000 3/45000 890.0 0.595 0.485 0.445 -0.000 0.026 -0.000 3/45000 900.0 0.588 0.480 0.440 -0.000 0.026 -0.000 3/45000 910.0 0.581 0.475 0.435 -0.000 0.026 -0.000 3/45000 920.0 0.575 0.469 0.431 -0.000 0.025 -0.000 3/45000 930.0 0.569 0.464 0.426 -0.000 0.025 -0.000 3/45000 940.0 0.563 0.459 0.421 -0.000 0.025 -0.000 3/45000 950.0 0.557 0.455 0.417 -0.000 0.025 -0.000 3/45000 960.0 0.551 0.450 0.413 -0.000 0.024 -0.000 3/45000 970.0 0.545 0.445 0.408 -0.000 0.024 -0.000 3/45000 980.0 0.540 0.441 0.404 -0.000 0.024 -0.000 3/45000 990.0 0.534 0.436 0.400 -0.000 0.024 -0.000 3/45000 1000.0 0.529 0.432 0.396 -0.000 0.023 -0.000 3/45000 Thermal conductivity related properties were written into "kappa-m10105.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:02:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|